A0A087XZM8_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087XZM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 641 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	31.9	Very low	50.6	Low	192 Å²	192	110 Å²	110	95%	0.946	55%	0.549	S	S	*	.				0	97.6	0	-105	-177.3	-112	0	0	104.7
2	S	36.7	Very low	51.9	Low	70 Å²	70	111.9 Å²	111.9	49%	0.49	56%	0.561	S	S	.	*			trans	-78.9	142.1	164.2	24.7	0	0	0	0	108.3	E24	S2-E24 VanDerWaalsContact CB-CD 3.4Å; S2-E24 WeakPolarHBondContact CB-OE2 3.46Å; S2-E24 PolarHBondContact OG-OE2 3.21Å
3	G	42.5	Very low	53	Low	31 Å²	31	108.5 Å²	108.5	32%	0.32	55%	0.545	S	S	.	.	B	Isolated β-bridge	trans	-149.4	148.9	179.2	0	0	0	0	0	110.9	L25	G3-L25 PolarHBondContact O-N 3.42Å
4	F	54.2	Low	54.1	Low	107 Å²	107	105.4 Å²	105.4	47%	0.469	53%	0.528	S	S	.	.			trans	-74.8	124	168.5	-60.5	-84.1	0	0	0	108.4	Y6 E24	F4-Y6 HydrophobicContact CB-CD2 4.45Å; F4-Y6 HydrophobicContact CB-CE2 3.7Å; F4-E24 HydrophobicContact CE1-CG 4.5Å; F4-E24 HydrophobicContact CE2-CG 4.35Å; F4-E24 HydrophobicContact CZ-CG 4.14Å
5	L	58.9	Low	55.1	Low	71 Å²	71	98.9 Å²	98.9	37%	0.372	50%	0.496	S	S	.	.			trans	-107	119	176.3	-87	137.1	0	0	0	109.4	L15 L25 A28	L5-L15 HydrophobicContact CB-CD1 4.05Å; L5-L15 PolarHBondContact O-N 2.96Å; L5-L15 VanDerWaalsContact O-N 3.13Å; L5-L25 HydrophobicContact CB-CD1 4.12Å; L5-L25 HydrophobicContact CD1-CB 4.08Å; L5-L25 HydrophobicContact CD1-CD1 4.05Å; L5-A28 HydrophobicContact CD1-CB 3.68Å; L5-A28 HydrophobicContact CD2-CB 4.2Å; L5-A28 HydrophobicContact CG-CB 4.46Å
6	Y	61.5	Low	55.8	Low	119 Å²	119	94.5 Å²	94.5	47%	0.467	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.6	171.7	-59.2	-91.7	0	0	0	109	F4 L12 L13 E14	F4-Y6 HydrophobicContact CB-CD2 4.45Å; F4-Y6 HydrophobicContact CB-CE2 3.7Å; Y6-L12 HydrophobicContact CD1-CB 4.31Å; Y6-L12 HydrophobicContact CD1-CD2 4.12Å; Y6-L12 HydrophobicContact CD2-CD2 4.49Å; Y6-L12 HydrophobicContact CG-CD2 3.77Å; Y6-L13 CarbonylContact C-O 3.47Å; Y6-L13 WeakPolarHBondContact CA-O 3.35Å; Y6-E14 HydrophobicContact CD1-CB 4.15Å; Y6-E14 HydrophobicContact CD1-CG 4.43Å; Y6-E14 HydrophobicContact CE1-CB 4.08Å; Y6-E14 HydrophobicContact CE1-CG 4.08Å
7	V	59.2	Low	56.5	Low	15 Å²	15	89.2 Å²	89.2	9%	0.091	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	166.7	-175.4	0	0	0	0	109	F9 L13 L15 W30 L37 V51	V7-F9 PolarHBondContact O-N 3.04Å; V7-L13 PolarHBondContact N-O 3.15Å; V7-L13 PolarHBondContact O-N 3.06Å; V7-L15 HydrophobicContact CG2-CD1 3.99Å; V7-L15 HydrophobicContact CG2-CD2 3.88Å; V7-L15 HydrophobicContact CG2-CG 3.94Å; V7-W30 HydrophobicContact CG1-CH2 3.74Å; V7-W30 HydrophobicContact CG1-CZ2 3.77Å; V7-W30 HydrophobicContact CG2-CH2 4.31Å; V7-W30 HydrophobicContact CG2-CZ2 4.22Å; V7-L37 HydrophobicContact CG2-CD2 4.27Å; V7-V51 HydrophobicContact CB-CG1 3.89Å; V7-V51 HydrophobicContact CG1-CG1 3.49Å; V7-V51 VanDerWaalsContact CG1-CG1 3.49Å; V7-V51 HydrophobicContact CG2-CG1 3.99Å
8	C	56.1	Low	56.8	Low	106 Å²	106	89.4 Å²	89.4	72%	0.716	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.2	175.2	-173	0	0	0	0	109.9
9	F	43.2	Very low	57.2	Low	132 Å²	132	92.2 Å²	92.2	58%	0.579	47%	0.47	S	S	*	.	S	Bend	trans	-136.1	82.1	170.7	-176.2	-98.8	0	0	0	109.5	V7 D11	V7-F9 PolarHBondContact O-N 3.04Å; F9-D11 CarbonylContact C-O 3.58Å; F9-D11 PolarHBondContact N-O 3.07Å; F9-D11 PolarHBondContact O-N 3.32Å
10	R	52.5	Low	57.5	Low	235 Å²	235	94.5 Å²	94.5	89%	0.887	47%	0.473	S	S	*	.	S	Bend	trans	62.2	-38.8	-169.9	-60.6	179.3	174.7	177.6	-1.5	114.2
11	D	59.6	Low	57.4	Low	132 Å²	132	98.6 Å²	98.6	71%	0.706	49%	0.49	S	S	*	.	S	Bend	trans	-120.5	165.1	167.2	-62.7	-47.3	0	0	0	110.8	F9	F9-D11 CarbonylContact C-O 3.58Å; F9-D11 PolarHBondContact N-O 3.07Å; F9-D11 PolarHBondContact O-N 3.32Å
12	L	66.1	Low	58.5	Low	133 Å²	133	94.1 Å²	94.1	70%	0.696	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	118.4	175.2	-81.6	146.7	0	0	0	110.2	Y6	Y6-L12 HydrophobicContact CD1-CB 4.31Å; Y6-L12 HydrophobicContact CD1-CD2 4.12Å; Y6-L12 HydrophobicContact CD2-CD2 4.49Å; Y6-L12 HydrophobicContact CG-CD2 3.77Å
13	L	67.2	Low	59.9	Low	67 Å²	67	91.6 Å²	91.6	35%	0.351	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115	178.8	-138.1	149	0	0	0	109.3	Y6 V7	Y6-L13 CarbonylContact C-O 3.47Å; Y6-L13 WeakPolarHBondContact CA-O 3.35Å; V7-L13 PolarHBondContact N-O 3.15Å; V7-L13 PolarHBondContact O-N 3.06Å
14	E	68.4	Low	61.5	Low	65 Å²	65	95 Å²	95	30%	0.304	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.2	-179.8	-166.6	173.7	176.7	0	0	110.8	Y6 S16	Y6-E14 HydrophobicContact CD1-CB 4.15Å; Y6-E14 HydrophobicContact CD1-CG 4.43Å; Y6-E14 HydrophobicContact CE1-CB 4.08Å; Y6-E14 HydrophobicContact CE1-CG 4.08Å; E14-S16 PolarHBondContact O-N 3.44Å
15	L	68.5	Low	63	Low	8 Å²	8	90 Å²	90	4%	0.042	44%	0.441	C	S	.	.			trans	-87.7	95.2	172	-66.9	-179.1	0	0	0	109.3	L5 V7 L25 A28 L37 K48	L5-L15 HydrophobicContact CB-CD1 4.05Å; L5-L15 PolarHBondContact O-N 2.96Å; L5-L15 VanDerWaalsContact O-N 3.13Å; V7-L15 HydrophobicContact CG2-CD1 3.99Å; V7-L15 HydrophobicContact CG2-CD2 3.88Å; V7-L15 HydrophobicContact CG2-CG 3.94Å; L15-L25 HydrophobicContact CB-CD1 3.72Å; L15-L25 HydrophobicContact CD1-CD1 4.33Å; L15-A28 HydrophobicContact CD1-CB 4.36Å; L15-L37 HydrophobicContact CD1-CD1 4.34Å; L15-L37 HydrophobicContact CD2-CD1 4.07Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; L15-K48 HydrophobicContact CD2-CD 4.13Å
16	S	66.3	Low	64.4	Low	29 Å²	29	89.6 Å²	89.6	20%	0.203	44%	0.438	C	S	.	.			trans	-119.5	144.2	174.3	-56.3	0	0	0	0	110.6	E14 R20 E21	E14-S16 PolarHBondContact O-N 3.44Å; S16-R20 WeakPolarHBondContact CB-O 3.35Å; S16-E21 PolarHBondContact OG-O 3.21Å
17	P	67.4	Low	65.7	Low	4 Å²	4	87.2 Å²	87.2	3%	0.026	43%	0.428	C	S	.	.			trans	-61.2	154.7	166.1	29.6	-34.7	0	0	0	109.5	E19 R20 T23 F41 Y46	P17-E19 PolarHBondContact O-N 3Å; P17-R20 HydrophobicContact CG-CB 4.38Å; P17-R20 PolarHBondContact O-N 2.99Å; P17-T23 WeakPolarHBondContact CD-OG1 3.41Å; P17-F41 HydrophobicContact CB-CD1 4.19Å; P17-F41 HydrophobicContact CG-CD1 3.75Å; P17-F41 HydrophobicContact CG-CE1 3.84Å; P17-F41 HydrophobicContact CG-CG 4.19Å; P17-F41 HydrophobicContact CG-CZ 4.37Å; P17-Y46 HydrophobicContact CB-CE1 4.01Å
18	P	63.3	Low	67.2	Low	93 Å²	93	87.9 Å²	87.9	60%	0.604	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.3	-174.6	4.6	7.9	0	0	0	112.8	S55	P18-S55 WeakPolarHBondContact CD-OG 3.15Å; P18-S55 WeakPolarHBondContact CG-OG 3.44Å
19	E	64.4	Low	68.9	Low	142 Å²	142	84 Å²	84	66%	0.664	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.2	-171.6	-62.6	171.6	-171.6	0	0	113.5	P17	P17-E19 PolarHBondContact O-N 3Å
20	R	62.8	Low	71.3	Confident	139 Å²	139	84.3 Å²	84.3	53%	0.525	41%	0.407	S	S	.	.			trans	-145.2	137.9	-178.3	-68.4	-172.8	177.8	160.3	5.6	112.3	S16 P17 T23 D42	S16-R20 WeakPolarHBondContact CB-O 3.35Å; P17-R20 HydrophobicContact CG-CB 4.38Å; P17-R20 PolarHBondContact O-N 2.99Å; R20-T23 HydrophobicContact CB-CG2 3.86Å; R20-D42 IonicContact NH1-OD2 2.68Å; R20-D42 PolarHBondContact NH1-OD2 3.33Å; R20-D42 VanDerWaalsContact NH1-OD2 3.08Å
21	E	55.1	Low	73.2	Confident	180 Å²	180	73.7 Å²	73.7	84%	0.841	37%	0.371	S	S	*	.	S	Bend	trans	-74.9	-34.1	-171.5	-70.9	-175.6	158.5	0	0	114.5	S16	S16-E21 PolarHBondContact OG-O 3.21Å
22	T	54.5	Low	74.7	Confident	98 Å²	98	70.5 Å²	70.5	60%	0.601	36%	0.357	S	S	*	.	S	Bend	trans	-145.4	114.3	-179.9	57	0	0	0	0	110.4
23	T	66.7	Low	75.9	Confident	18 Å²	18	68.7 Å²	68.7	11%	0.11	35%	0.345	C	S	.	.			trans	-142.5	142.8	176.9	58.1	0	0	0	0	114.1	P17 R20 L25 F41	P17-T23 WeakPolarHBondContact CD-OG1 3.41Å; R20-T23 HydrophobicContact CB-CG2 3.86Å; T23-L25 PolarHBondContact O-N 3.35Å; T23-F41 HydrophobicContact CG2-CE2 3.67Å; T23-F41 HydrophobicContact CG2-CZ 3.71Å; T23-F41 VanDerWaalsContact OG1-CE2 3.27Å; T23-F41 WeakPolarHBondContact OG1-CE2 3.45Å
24	E	76.5	Confident	77	Confident	101 Å²	101	69.5 Å²	69.5	47%	0.472	37%	0.369	S	S	.	.			trans	-66.1	123.2	169.4	-78.6	-178.8	175.4	0	0	110.2	S2 F4	S2-E24 VanDerWaalsContact CB-CD 3.4Å; S2-E24 WeakPolarHBondContact CB-OE2 3.46Å; S2-E24 PolarHBondContact OG-OE2 3.21Å; F4-E24 HydrophobicContact CE1-CG 4.5Å; F4-E24 HydrophobicContact CE2-CG 4.35Å; F4-E24 HydrophobicContact CZ-CG 4.14Å
25	L	84.6	Confident	78	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.016	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-86.8	146.5	175.8	-59	-175.1	0	0	0	110.5	G3 L5 L15 T23 F39 F41	G3-L25 PolarHBondContact O-N 3.42Å; L5-L25 HydrophobicContact CB-CD1 4.12Å; L5-L25 HydrophobicContact CD1-CB 4.08Å; L5-L25 HydrophobicContact CD1-CD1 4.05Å; L15-L25 HydrophobicContact CB-CD1 3.72Å; L15-L25 HydrophobicContact CD1-CD1 4.33Å; T23-L25 PolarHBondContact O-N 3.35Å; L25-F39 HydrophobicContact CD1-CB 4.07Å; L25-F39 HydrophobicContact CD1-CD2 4.13Å; L25-F39 HydrophobicContact CD1-CG 4.24Å; L25-F39 HydrophobicContact CD2-CD2 3.83Å; L25-F39 HydrophobicContact CD2-CE2 4.24Å; L25-F41 HydrophobicContact CD2-CB 4.12Å; L25-F41 HydrophobicContact CD2-CD2 4.14Å; L25-F41 HydrophobicContact CD2-CG 4.47Å
26	Q	87.6	Confident	79.2	Confident	62 Å²	62	69.1 Å²	69.1	29%	0.29	37%	0.37	S	S	.	.	S	Bend	trans	-78.7	-37.9	173.8	-64.9	172.5	-74.8	0	0	110.5	V40 L71 Y84	Q26-V40 PolarHBondContact N-O 3.09Å; Q26-L71 HydrophobicContact CB-CD1 3.65Å; Q26-Y84 WeakPolarHBondContact O-CE1 3.19Å
27	Y	90.8	Very high	80.5	Confident	70 Å²	70	68 Å²	68	28%	0.275	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	153.1	-179.5	-171	-96.7	0	0	0	111.8	F39 V40 L71 Y84 A85 H87	Y27-F39 CarbonylContact O-C 3.59Å; Y27-F39 WeakPolarHBondContact O-CA 3.41Å; Y27-F39 WeakPolarHBondContact O-CB 3.45Å; Y27-V40 PolarHBondContact O-N 3.2Å; Y27-L71 HydrophobicContact CD1-CD2 4.47Å; Y27-L71 HydrophobicContact CD2-CD2 4.48Å; Y27-L71 HydrophobicContact CG-CD2 3.96Å; Y27-Y84 HydrophobicContact CD2-CD1 4.05Å; Y27-Y84 HydrophobicContact CD2-CE1 4.45Å; Y27-A85 HydrophobicContact CE1-CB 4.1Å; Y27-A85 HydrophobicContact CE2-CB 3.98Å; Y27-H87 AromaticContact CD1-CE1 3.41Å; Y27-H87 VanDerWaalsContact CD1-CE1 3.41Å; Y27-H87 WeakPolarHBondContact CD1-CE1 3.47Å; Y27-H87 AromaticContact CD1-NE2 3.96Å; Y27-H87 AromaticContact CE1-CE1 3.27Å; Y27-H87 WeakPolarHBondContact CE1-CE1 3.25Å; Y27-H87 AromaticContact CE1-NE2 3.51Å
28	A	90.6	Very high	81.7	Confident	29 Å²	29	67.9 Å²	67.9	24%	0.24	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.4	165.3	0	0	0	0	0	111.1	L5 L15 A38 F39	L5-A28 HydrophobicContact CD1-CB 3.68Å; L5-A28 HydrophobicContact CD2-CB 4.2Å; L5-A28 HydrophobicContact CG-CB 4.46Å; L15-A28 HydrophobicContact CD1-CB 4.36Å; A28-A38 CarbonylContact C-O 3.53Å; A28-A38 WeakPolarHBondContact CA-O 3.26Å; A28-F39 HydrophobicContact CB-CB 3.94Å
29	S	91.1	Very high	83.1	Confident	23 Å²	23	63.4 Å²	63.4	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150.1	172.6	66.9	0	0	0	0	112	L37 A38 H87 W89	S29-L37 WeakPolarHBondContact O-CA 3.24Å; S29-A38 PolarHBondContact N-O 2.8Å; S29-A38 PolarHBondContact O-N 3.39Å; S29-H87 PolarHBondContact OG-NE2 3.43Å; S29-W89 PolarHBondContact OG-NE1 2.87Å
30	W	93.4	Very high	84.4	Confident	139 Å²	139	56.7 Å²	56.7	53%	0.527	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.3	168.8	-68.4	104.1	0	0	0	110.4	V7 N35 L37 V51	V7-W30 HydrophobicContact CG1-CH2 3.74Å; V7-W30 HydrophobicContact CG1-CZ2 3.77Å; V7-W30 HydrophobicContact CG2-CH2 4.31Å; V7-W30 HydrophobicContact CG2-CZ2 4.22Å; W30-N35 HydrophobicContact CZ3-CB 4.17Å; W30-N35 WeakPolarHBondContact CZ3-O 3.39Å; W30-L37 HydrophobicContact CD2-CB 4.47Å; W30-L37 HydrophobicContact CE3-CB 3.89Å; W30-L37 HydrophobicContact CE3-CD2 4.46Å; W30-L37 HydrophobicContact CH2-CD2 4.06Å; W30-L37 HydrophobicContact CZ3-CB 4.11Å; W30-L37 HydrophobicContact CZ3-CD2 3.86Å; W30-V51 HydrophobicContact CH2-CG1 3.84Å; W30-V51 HydrophobicContact CZ3-CG1 4.36Å
31	G	92.5	Very high	85.6	Confident	13 Å²	13	50.7 Å²	50.7	13%	0.134	28%	0.278	C	S	.	.			trans	-80.6	169.1	166.9	0	0	0	0	0	112	Q33 Q36	G31-Q33 VanDerWaalsContact C-N 3.31Å; G31-Q33 PolarHBondContact O-N 3.24Å; G31-Q36 PolarHBondContact N-O 2.95Å
32	P	91.6	Very high	87.1	Confident	64 Å²	64	44.8 Å²	44.8	42%	0.416	25%	0.252	S	S	.	.	S	Bend	trans	-79.5	-7.2	-171.1	28.8	-34.7	0	0	0	114.8	W89 S90	P32-W89 HydrophobicContact CG-CB 3.98Å; P32-S90 VanDerWaalsContact CG-O 3.28Å; P32-S90 WeakPolarHBondContact CG-O 3.37Å
33	Q	91.1	Very high	88.6	Confident	95 Å²	95	40.3 Å²	40.3	44%	0.444	23%	0.226	S	C	.	.	S	Bend	trans	-125.9	136.3	-176.4	-64.5	-59.4	-30.3	0	0	111.3	G31 N35 Q36 M91 D92	G31-Q33 VanDerWaalsContact C-N 3.31Å; G31-Q33 PolarHBondContact O-N 3.24Å; Q33-N35 PolarHBondContact O-N 3.43Å; Q33-Q36 VanDerWaalsContact O-CG 3.31Å; Q33-Q36 WeakPolarHBondContact O-CG 3.19Å; Q33-Q36 PolarHBondContact O-N 3.01Å; Q33-M91 PolarHBondContact NE2-O 3.32Å; Q33-D92 WeakPolarHBondContact CG-O 3.27Å
34	G	89.3	Confident	89.7	Confident	84 Å²	84	39.5 Å²	39.5	87%	0.866	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-129.6	177.7	0	0	0	0	0	112.5
35	N	90.7	Very high	90.5	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	34.3	178.7	63.3	-16.2	0	0	0	110.8	W30 Q33 S50 V51	W30-N35 HydrophobicContact CZ3-CB 4.17Å; W30-N35 WeakPolarHBondContact CZ3-O 3.39Å; Q33-N35 PolarHBondContact O-N 3.43Å; N35-S50 PolarHBondContact ND2-OG 2.86Å; N35-S50 WeakPolarHBondContact OD1-CA 3.38Å; N35-S50 WeakPolarHBondContact OD1-CB 3.39Å; N35-S50 PolarHBondContact OD1-OG 2.84Å; N35-V51 HydrophobicContact CB-CG2 4.22Å; N35-V51 WeakPolarHBondContact ND2-CG2 3.31Å
36	Q	93.1	Very high	90.9	Very high	3 Å²	3	35 Å²	35	1%	0.014	20%	0.199	C	C	.	.			trans	-76	146.9	174.9	79.1	-176.4	-22.7	0	0	110.3	G31 Q33 Y47 K48 P49 W89 G93	G31-Q36 PolarHBondContact N-O 2.95Å; Q33-Q36 VanDerWaalsContact O-CG 3.31Å; Q33-Q36 WeakPolarHBondContact O-CG 3.19Å; Q33-Q36 PolarHBondContact O-N 3.01Å; Q36-Y47 HydrophobicContact CB-CE2 3.95Å; Q36-Y47 HydrophobicContact CG-CE2 4.29Å; Q36-Y47 PolarHBondContact OE1-OH 3.06Å; Q36-K48 VanDerWaalsContact CA-O 3.31Å; Q36-K48 WeakPolarHBondContact CA-O 3.01Å; Q36-P49 WeakPolarHBondContact CA-O 2.98Å; Q36-P49 WeakPolarHBondContact CB-O 3.47Å; Q36-W89 HydrophobicContact CG-CH2 4.11Å; Q36-W89 HydrophobicContact CG-CZ3 4.02Å; Q36-G93 PolarHBondContact NE2-O 3.26Å; Q36-G93 PolarHBondContact OE1-O 3.46Å
37	L	93.2	Very high	91.2	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.3	-179.7	66.6	89.2	0	0	0	111.3	V7 L15 S29 W30 F39 Y47 K48 V51	V7-L37 HydrophobicContact CG2-CD2 4.27Å; L15-L37 HydrophobicContact CD1-CD1 4.34Å; L15-L37 HydrophobicContact CD2-CD1 4.07Å; L15-L37 HydrophobicContact CD2-CD2 3.97Å; S29-L37 WeakPolarHBondContact O-CA 3.24Å; W30-L37 HydrophobicContact CD2-CB 4.47Å; W30-L37 HydrophobicContact CE3-CB 3.89Å; W30-L37 HydrophobicContact CE3-CD2 4.46Å; W30-L37 HydrophobicContact CH2-CD2 4.06Å; W30-L37 HydrophobicContact CZ3-CB 4.11Å; W30-L37 HydrophobicContact CZ3-CD2 3.86Å; L37-F39 HydrophobicContact CD1-CD1 3.69Å; L37-F39 HydrophobicContact CD1-CE1 4.34Å; L37-Y47 WeakPolarHBondContact O-CD2 3.37Å; L37-K48 HydrophobicContact CD1-CB 4.16Å; L37-K48 HydrophobicContact CD1-CD 3.96Å; L37-K48 HydrophobicContact CD1-CG 3.89Å; L37-K48 HydrophobicContact CD2-CD 4.44Å; L37-K48 HydrophobicContact CG-CB 4.04Å; L37-K48 HydrophobicContact CG-CD 4.38Å; L37-K48 HydrophobicContact CG-CG 4.3Å; L37-K48 PolarHBondContact N-O 2.95Å; L37-K48 PolarHBondContact O-N 3.5Å; L37-V51 HydrophobicContact CD2-CG1 4.02Å
38	A	93.2	Very high	91.3	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.5	169	0	0	0	0	0	109.5	A28 S29 Y46 W89	A28-A38 CarbonylContact C-O 3.53Å; A28-A38 WeakPolarHBondContact CA-O 3.26Å; S29-A38 PolarHBondContact N-O 2.8Å; S29-A38 PolarHBondContact O-N 3.39Å; A38-Y46 CarbonylContact C-O 3.52Å; A38-Y46 WeakPolarHBondContact CA-O 3.36Å; A38-W89 HydrophobicContact CB-CH2 3.99Å; A38-W89 HydrophobicContact CB-CZ2 3.43Å; A38-W89 VanDerWaalsContact CB-CZ2 3.43Å
39	F	92.1	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.4	175.3	64	-89.5	0	0	0	110.6	L25 Y27 A28 L37 F41 Y46 K48	L25-F39 HydrophobicContact CD1-CB 4.07Å; L25-F39 HydrophobicContact CD1-CD2 4.13Å; L25-F39 HydrophobicContact CD1-CG 4.24Å; L25-F39 HydrophobicContact CD2-CD2 3.83Å; L25-F39 HydrophobicContact CD2-CE2 4.24Å; Y27-F39 CarbonylContact O-C 3.59Å; Y27-F39 WeakPolarHBondContact O-CA 3.41Å; Y27-F39 WeakPolarHBondContact O-CB 3.45Å; A28-F39 HydrophobicContact CB-CB 3.94Å; L37-F39 HydrophobicContact CD1-CD1 3.69Å; L37-F39 HydrophobicContact CD1-CE1 4.34Å; F39-F41 HydrophobicContact CD2-CB 4.4Å; F39-F41 HydrophobicContact CE2-CB 4.43Å; F39-Y46 HydrophobicContact CD2-CD2 4.23Å; F39-Y46 HydrophobicContact CD2-CG 4.22Å; F39-Y46 VanDerWaalsContact CE2-CB 3.42Å; F39-Y46 HydrophobicContact CE2-CD1 4.25Å; F39-Y46 AromaticContact CE2-CD2 3.86Å; F39-Y46 HydrophobicContact CE2-CD2 3.86Å; F39-Y46 AromaticContact CE2-CG 3.59Å; F39-Y46 HydrophobicContact CE2-CG 3.59Å; F39-Y46 HydrophobicContact CZ-CD1 4.17Å; F39-Y46 HydrophobicContact CZ-CD2 4.49Å; F39-Y46 AromaticContact CZ-CG 3.76Å; F39-Y46 HydrophobicContact CZ-CG 3.76Å; F39-Y46 PolarHBondContact N-O 2.88Å; F39-Y46 PolarHBondContact O-N 3.49Å; F39-K48 HydrophobicContact CE1-CD 4.19Å; F39-K48 HydrophobicContact CE1-CG 4.04Å
40	V	91.1	Very high	91.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.4	-179.7	-174	0	0	0	0	109.7	Q26 Y27 D44 I45 L71	Q26-V40 PolarHBondContact N-O 3.09Å; Y27-V40 PolarHBondContact O-N 3.2Å; V40-D44 CarbonylContact C-O 3.48Å; V40-D44 VanDerWaalsContact CA-O 3.25Å; V40-D44 WeakPolarHBondContact CA-O 3.4Å; V40-D44 WeakPolarHBondContact CG1-O 3.29Å; V40-I45 HydrophobicContact CG2-CG1 4.34Å; V40-L71 HydrophobicContact CB-CD1 3.78Å; V40-L71 HydrophobicContact CB-CD2 4.45Å; V40-L71 HydrophobicContact CB-CG 4.09Å; V40-L71 HydrophobicContact CG1-CD1 3.44Å; V40-L71 VanDerWaalsContact CG1-CD1 3.44Å; V40-L71 HydrophobicContact CG1-CG 3.86Å; V40-L71 HydrophobicContact CG2-CD1 4.26Å; V40-L71 HydrophobicContact CG2-CD2 4.12Å; V40-L71 HydrophobicContact CG2-CG 4Å
41	F	88.2	Confident	90.9	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.057	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131	-177.9	175.8	-103	0	0	0	110	P17 T23 L25 F39 G43 D44 Y46	P17-F41 HydrophobicContact CB-CD1 4.19Å; P17-F41 HydrophobicContact CG-CD1 3.75Å; P17-F41 HydrophobicContact CG-CE1 3.84Å; P17-F41 HydrophobicContact CG-CG 4.19Å; P17-F41 HydrophobicContact CG-CZ 4.37Å; T23-F41 HydrophobicContact CG2-CE2 3.67Å; T23-F41 HydrophobicContact CG2-CZ 3.71Å; T23-F41 VanDerWaalsContact OG1-CE2 3.27Å; T23-F41 WeakPolarHBondContact OG1-CE2 3.45Å; L25-F41 HydrophobicContact CD2-CB 4.12Å; L25-F41 HydrophobicContact CD2-CD2 4.14Å; L25-F41 HydrophobicContact CD2-CG 4.47Å; F39-F41 HydrophobicContact CD2-CB 4.4Å; F39-F41 HydrophobicContact CE2-CB 4.43Å; F41-G43 PolarHBondContact O-N 3.47Å; F41-G43 VanDerWaalsContact O-N 3.14Å; F41-D44 PolarHBondContact N-O 3.2Å; F41-D44 PolarHBondContact O-N 3.37Å; F41-Y46 HydrophobicContact CB-CD2 4.05Å; F41-Y46 HydrophobicContact CB-CE2 3.79Å; F41-Y46 HydrophobicContact CD1-CE2 4.14Å; F41-Y46 HydrophobicContact CG-CE2 4.48Å
42	D	86.3	Confident	90.5	Very high	55 Å²	55	29.7 Å²	29.7	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	38.6	-176	-74.6	-13.3	0	0	0	113.7	R20 D44 T61	R20-D42 IonicContact NH1-OD2 2.68Å; R20-D42 PolarHBondContact NH1-OD2 3.33Å; R20-D42 VanDerWaalsContact NH1-OD2 3.08Å; D42-D44 VanDerWaalsContact C-N 3.29Å; D42-D44 PolarHBondContact O-N 3.04Å; D42-T61 PolarHBondContact O-OG1 2.69Å; D42-T61 VanDerWaalsContact O-OG1 3.13Å
43	G	86.8	Confident	90.3	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	2.4	179.5	0	0	0	0	0	115.1	F41 T61 N69	F41-G43 PolarHBondContact O-N 3.47Å; F41-G43 VanDerWaalsContact O-N 3.14Å; G43-T61 VanDerWaalsContact O-CG2 3.24Å; G43-T61 WeakPolarHBondContact O-CG2 3.45Å; G43-N69 WeakPolarHBondContact O-CB 3.4Å; G43-N69 PolarHBondContact O-N 2.73Å; G43-N69 VanDerWaalsContact O-N 3.08Å; G43-N69 PolarHBondContact O-ND2 3.43Å
44	D	90.9	Very high	90.1	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	145.5	-179.2	-83.5	-37.2	0	0	0	114.5	V40 F41 D42 Y46 R57 T59 S60 T61 N69	V40-D44 CarbonylContact C-O 3.48Å; V40-D44 VanDerWaalsContact CA-O 3.25Å; V40-D44 WeakPolarHBondContact CA-O 3.4Å; V40-D44 WeakPolarHBondContact CG1-O 3.29Å; F41-D44 PolarHBondContact N-O 3.2Å; F41-D44 PolarHBondContact O-N 3.37Å; D42-D44 VanDerWaalsContact C-N 3.29Å; D42-D44 PolarHBondContact O-N 3.04Å; D44-Y46 HydrophobicContact CB-CE2 3.9Å; D44-Y46 WeakPolarHBondContact O-CD2 3.42Å; D44-R57 IonicContact OD2-CZ 3.41Å; D44-R57 VanDerWaalsContact OD2-CZ 3.25Å; D44-R57 IonicContact OD2-NE 3.87Å; D44-R57 PolarHBondContact OD2-NE 2.79Å; D44-R57 VanDerWaalsContact OD2-NE 3.13Å; D44-R57 IonicContact OD2-NH2 3.7Å; D44-R57 PolarHBondContact OD2-NH2 3.12Å; D44-T59 VanDerWaalsContact CA-OG1 3.3Å; D44-T59 WeakPolarHBondContact CA-OG1 3.37Å; D44-T59 WeakPolarHBondContact CB-OG1 3.33Å; D44-T59 WeakPolarHBondContact OD1-CB 3.34Å; D44-T59 VanDerWaalsContact OD1-O 3.13Å; D44-T59 PolarHBondContact OD1-OG1 2.89Å; D44-S60 VanDerWaalsContact OD1-C 3.26Å; D44-S60 WeakPolarHBondContact OD1-CA 3.5Å; D44-S60 PolarHBondContact OD1-N 3.01Å; D44-S60 WeakPolarHBondContact OD2-CA 3.32Å; D44-T61 VanDerWaalsContact CG-N 3.31Å; D44-T61 WeakPolarHBondContact OD1-CG2 3.47Å; D44-T61 PolarHBondContact OD1-N 3.01Å; D44-T61 PolarHBondContact OD2-N 3.45Å; D44-T61 PolarHBondContact OD2-OG1 2.67Å; D44-N69 PolarHBondContact OD1-ND2 3Å
45	I	93.2	Very high	90.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.9	179.4	-49.9	174.8	0	0	0	109.3	V40 L58 T59 N69 L96 Y98	V40-I45 HydrophobicContact CG2-CG1 4.34Å; I45-L58 HydrophobicContact CB-CB 4.37Å; I45-L58 HydrophobicContact CG2-CD1 3.99Å; I45-L58 WeakPolarHBondContact O-CB 3.33Å; I45-L58 PolarHBondContact O-N 2.8Å; I45-T59 HydrophobicContact CB-CG2 4.33Å; I45-T59 HydrophobicContact CD1-CG2 4.19Å; I45-T59 HydrophobicContact CG1-CG2 4.26Å; I45-T59 PolarHBondContact N-OG1 2.87Å; I45-N69 HydrophobicContact CD1-CB 4.25Å; I45-N69 HydrophobicContact CG1-CB 4.09Å; I45-N69 WeakPolarHBondContact CG1-O 3.42Å; I45-L96 HydrophobicContact CG2-CD2 3.91Å; I45-Y98 HydrophobicContact CD1-CD1 4Å; I45-Y98 HydrophobicContact CD1-CD2 3.67Å; I45-Y98 HydrophobicContact CD1-CE2 4.33Å; I45-Y98 HydrophobicContact CD1-CG 3.48Å; I45-Y98 VanDerWaalsContact CD1-CG 3.48Å
46	Y	92.6	Very high	90.1	Very high	8 Å²	8	29.1 Å²	29.1	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.4	171.5	-66	-102.8	0	0	0	109.5	P17 A38 F39 F41 D44 L56 R57	P17-Y46 HydrophobicContact CB-CE1 4.01Å; A38-Y46 CarbonylContact C-O 3.52Å; A38-Y46 WeakPolarHBondContact CA-O 3.36Å; F39-Y46 HydrophobicContact CD2-CD2 4.23Å; F39-Y46 HydrophobicContact CD2-CG 4.22Å; F39-Y46 VanDerWaalsContact CE2-CB 3.42Å; F39-Y46 HydrophobicContact CE2-CD1 4.25Å; F39-Y46 AromaticContact CE2-CD2 3.86Å; F39-Y46 HydrophobicContact CE2-CD2 3.86Å; F39-Y46 AromaticContact CE2-CG 3.59Å; F39-Y46 HydrophobicContact CE2-CG 3.59Å; F39-Y46 HydrophobicContact CZ-CD1 4.17Å; F39-Y46 HydrophobicContact CZ-CD2 4.49Å; F39-Y46 AromaticContact CZ-CG 3.76Å; F39-Y46 HydrophobicContact CZ-CG 3.76Å; F39-Y46 PolarHBondContact N-O 2.88Å; F39-Y46 PolarHBondContact O-N 3.49Å; F41-Y46 HydrophobicContact CB-CD2 4.05Å; F41-Y46 HydrophobicContact CB-CE2 3.79Å; F41-Y46 HydrophobicContact CD1-CE2 4.14Å; F41-Y46 HydrophobicContact CG-CE2 4.48Å; D44-Y46 HydrophobicContact CB-CE2 3.9Å; D44-Y46 WeakPolarHBondContact O-CD2 3.42Å; Y46-L56 CarbonylContact C-O 3.53Å; Y46-L56 VanDerWaalsContact CA-O 3.32Å; Y46-L56 WeakPolarHBondContact CA-O 3.41Å; Y46-R57 HydrophobicContact CD1-CB 3.93Å; Y46-R57 HydrophobicContact CD1-CG 4.36Å; Y46-R57 HydrophobicContact CE1-CB 3.68Å; Y46-R57 HydrophobicContact CE1-CG 3.86Å; Y46-R57 HydrophobicContact CE2-CG 4.49Å
47	Y	93.5	Very high	90	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.8	-179.1	168.6	-114.8	0	0	0	111	Q36 L37 P49 S55 L56 W89 L144	Q36-Y47 HydrophobicContact CB-CE2 3.95Å; Q36-Y47 HydrophobicContact CG-CE2 4.29Å; Q36-Y47 PolarHBondContact OE1-OH 3.06Å; L37-Y47 WeakPolarHBondContact O-CD2 3.37Å; Y47-P49 HydrophobicContact CD1-CG 4.31Å; Y47-P49 HydrophobicContact CE1-CB 4.23Å; Y47-P49 HydrophobicContact CE1-CG 3.67Å; Y47-S55 CarbonylContact O-C 3.53Å; Y47-S55 WeakPolarHBondContact O-CA 3.48Å; Y47-L56 PolarHBondContact N-O 2.9Å; Y47-L56 PolarHBondContact O-N 3.06Å; Y47-W89 AromaticContact CD2-CH2 3.77Å; Y47-W89 HydrophobicContact CD2-CH2 3.77Å; Y47-W89 HydrophobicContact CD2-CZ3 4.29Å; Y47-W89 AromaticContact CE2-CH2 3.72Å; Y47-W89 HydrophobicContact CE2-CH2 3.72Å; Y47-W89 AromaticContact CE2-CZ3 3.91Å; Y47-W89 HydrophobicContact CE2-CZ3 3.91Å; Y47-L144 HydrophobicContact CD1-CD2 4.01Å; Y47-L144 HydrophobicContact CD2-CD1 4.24Å; Y47-L144 HydrophobicContact CD2-CD2 4.25Å; Y47-L144 HydrophobicContact CE1-CB 3.96Å; Y47-L144 HydrophobicContact CE1-CD2 4.28Å; Y47-L144 HydrophobicContact CE2-CD1 3.89Å; Y47-L144 HydrophobicContact CG-CD2 3.98Å
48	K	91.8	Very high	90	Very high	21 Å²	21	34.2 Å²	34.2	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.7	168	-49.6	-172.7	67.2	166.8	0	109.1	L15 Q36 L37 F39 S50 V51 S53	L15-K48 HydrophobicContact CD2-CD 4.13Å; Q36-K48 VanDerWaalsContact CA-O 3.31Å; Q36-K48 WeakPolarHBondContact CA-O 3.01Å; L37-K48 HydrophobicContact CD1-CB 4.16Å; L37-K48 HydrophobicContact CD1-CD 3.96Å; L37-K48 HydrophobicContact CD1-CG 3.89Å; L37-K48 HydrophobicContact CD2-CD 4.44Å; L37-K48 HydrophobicContact CG-CB 4.04Å; L37-K48 HydrophobicContact CG-CD 4.38Å; L37-K48 HydrophobicContact CG-CG 4.3Å; L37-K48 PolarHBondContact N-O 2.95Å; L37-K48 PolarHBondContact O-N 3.5Å; F39-K48 HydrophobicContact CE1-CD 4.19Å; F39-K48 HydrophobicContact CE1-CG 4.04Å; K48-S50 WeakPolarHBondContact CB-O 3.32Å; K48-S50 PolarHBondContact O-N 2.6Å; K48-V51 PolarHBondContact NZ-O 3.24Å; K48-S53 WeakPolarHBondContact CE-O 3.42Å; K48-S53 PolarHBondContact NZ-O 3.21Å; K48-S53 VanDerWaalsContact NZ-O 3.11Å
49	P	91.2	Very high	89.9	Confident	62 Å²	62	34.7 Å²	34.7	40%	0.403	19%	0.191	S	C	.	.	S	Bend	trans	-61.2	-31.1	173.7	-22.1	30.5	0	0	0	113.6	Q36 Y47	Q36-P49 WeakPolarHBondContact CA-O 2.98Å; Q36-P49 WeakPolarHBondContact CB-O 3.47Å; Y47-P49 HydrophobicContact CD1-CG 4.31Å; Y47-P49 HydrophobicContact CE1-CB 4.23Å; Y47-P49 HydrophobicContact CE1-CG 3.67Å
50	S	89.2	Confident	89.6	Confident	23 Å²	23	38.7 Å²	38.7	16%	0.161	22%	0.219	C	C	.	.	S	Bend	trans	-146.6	156.3	173.8	166.5	0	0	0	0	108.2	N35 K48 T52 S53	N35-S50 PolarHBondContact ND2-OG 2.86Å; N35-S50 WeakPolarHBondContact OD1-CA 3.38Å; N35-S50 WeakPolarHBondContact OD1-CB 3.39Å; N35-S50 PolarHBondContact OD1-OG 2.84Å; K48-S50 WeakPolarHBondContact CB-O 3.32Å; K48-S50 PolarHBondContact O-N 2.6Å; S50-T52 PolarHBondContact O-N 3.18Å; S50-T52 VanDerWaalsContact O-N 3.08Å; S50-T52 PolarHBondContact OG-N 3.18Å; S50-T52 PolarHBondContact OG-OG1 3.39Å; S50-S53 WeakPolarHBondContact O-CB 3.16Å; S50-S53 PolarHBondContact O-N 3.39Å
51	V	86.4	Confident	89	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.048	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-34	173	-103.1	0	0	0	0	113.8	V7 W30 N35 L37 K48	V7-V51 HydrophobicContact CB-CG1 3.89Å; V7-V51 HydrophobicContact CG1-CG1 3.49Å; V7-V51 VanDerWaalsContact CG1-CG1 3.49Å; V7-V51 HydrophobicContact CG2-CG1 3.99Å; W30-V51 HydrophobicContact CH2-CG1 3.84Å; W30-V51 HydrophobicContact CZ3-CG1 4.36Å; N35-V51 HydrophobicContact CB-CG2 4.22Å; N35-V51 WeakPolarHBondContact ND2-CG2 3.31Å; L37-V51 HydrophobicContact CD2-CG1 4.02Å; K48-V51 PolarHBondContact NZ-O 3.24Å
52	T	85.1	Confident	88.2	Confident	108 Å²	108	43.7 Å²	43.7	66%	0.663	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.1	-177.6	57.6	0	0	0	0	114	S50	S50-T52 PolarHBondContact O-N 3.18Å; S50-T52 VanDerWaalsContact O-N 3.08Å; S50-T52 PolarHBondContact OG-N 3.18Å; S50-T52 PolarHBondContact OG-OG1 3.39Å
53	S	87.5	Confident	87	Confident	43 Å²	43	50.6 Å²	50.6	30%	0.301	28%	0.277	S	S	.	.	S	Bend	trans	-77.6	159.8	179.6	-61.6	0	0	0	0	110.9	K48 S50	K48-S53 WeakPolarHBondContact CE-O 3.42Å; K48-S53 PolarHBondContact NZ-O 3.21Å; K48-S53 VanDerWaalsContact NZ-O 3.11Å; S50-S53 WeakPolarHBondContact O-CB 3.16Å; S50-S53 PolarHBondContact O-N 3.39Å
54	D	87.4	Confident	86	Confident	148 Å²	148	55.7 Å²	55.7	79%	0.791	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-68.1	152.6	167.6	-61.6	-39	0	0	0	110.7
55	S	88.6	Confident	85	Confident	18 Å²	18	60.8 Å²	60.8	13%	0.126	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-80.3	133.6	176.4	56	0	0	0	0	111.7	P18 Y47	P18-S55 WeakPolarHBondContact CD-OG 3.15Å; P18-S55 WeakPolarHBondContact CG-OG 3.44Å; Y47-S55 CarbonylContact O-C 3.53Å; Y47-S55 WeakPolarHBondContact O-CA 3.48Å
56	L	90.4	Very high	84.7	Confident	84 Å²	84	65.3 Å²	65.3	44%	0.44	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.1	172.5	-177	71.3	0	0	0	109.6	Y46 Y47 L58	Y46-L56 CarbonylContact C-O 3.53Å; Y46-L56 VanDerWaalsContact CA-O 3.32Å; Y46-L56 WeakPolarHBondContact CA-O 3.41Å; Y47-L56 PolarHBondContact N-O 2.9Å; Y47-L56 PolarHBondContact O-N 3.06Å; L56-L58 HydrophobicContact CD2-CD2 3.73Å; L56-L58 HydrophobicContact CG-CD2 4.11Å; L56-L58 PolarHBondContact O-N 2.88Å
57	R	92.1	Very high	84.6	Confident	97 Å²	97	65.1 Å²	65.1	37%	0.366	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.7	170.7	-174.6	174.9	177.7	-176	-1	109.5	D44 Y46 T59	D44-R57 IonicContact OD2-CZ 3.41Å; D44-R57 VanDerWaalsContact OD2-CZ 3.25Å; D44-R57 IonicContact OD2-NE 3.87Å; D44-R57 PolarHBondContact OD2-NE 2.79Å; D44-R57 VanDerWaalsContact OD2-NE 3.13Å; D44-R57 IonicContact OD2-NH2 3.7Å; D44-R57 PolarHBondContact OD2-NH2 3.12Å; Y46-R57 HydrophobicContact CD1-CB 3.93Å; Y46-R57 HydrophobicContact CD1-CG 4.36Å; Y46-R57 HydrophobicContact CE1-CB 3.68Å; Y46-R57 HydrophobicContact CE1-CG 3.86Å; Y46-R57 HydrophobicContact CE2-CG 4.49Å; R57-T59 WeakPolarHBondContact CG-O 3.42Å; R57-T59 PolarHBondContact NE-O 2.83Å
58	L	92.3	Very high	84.5	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.094	35%	0.354	C	S	.	.			trans	-94.3	-25.3	-176.2	-61.3	-177.9	0	0	0	113.1	I45 L56 L96 V142 L144	I45-L58 HydrophobicContact CB-CB 4.37Å; I45-L58 HydrophobicContact CG2-CD1 3.99Å; I45-L58 WeakPolarHBondContact O-CB 3.33Å; I45-L58 PolarHBondContact O-N 2.8Å; L56-L58 HydrophobicContact CD2-CD2 3.73Å; L56-L58 HydrophobicContact CG-CD2 4.11Å; L56-L58 PolarHBondContact O-N 2.88Å; L58-L96 HydrophobicContact CD1-CD2 4.06Å; L58-V142 HydrophobicContact CD1-CG1 4.05Å; L58-V142 HydrophobicContact CD2-CG2 4.43Å; L58-L144 HydrophobicContact CD1-CD2 3.72Å; L58-L144 HydrophobicContact CD2-CD2 4.25Å
59	T	91.7	Very high	84.7	Confident	12 Å²	12	65.6 Å²	65.6	7%	0.074	35%	0.35	C	S	.	.			trans	-131.4	160.6	-177.1	63.3	0	0	0	0	111.2	D44 I45 R57 N69 Y98	D44-T59 VanDerWaalsContact CA-OG1 3.3Å; D44-T59 WeakPolarHBondContact CA-OG1 3.37Å; D44-T59 WeakPolarHBondContact CB-OG1 3.33Å; D44-T59 WeakPolarHBondContact OD1-CB 3.34Å; D44-T59 VanDerWaalsContact OD1-O 3.13Å; D44-T59 PolarHBondContact OD1-OG1 2.89Å; I45-T59 HydrophobicContact CB-CG2 4.33Å; I45-T59 HydrophobicContact CD1-CG2 4.19Å; I45-T59 HydrophobicContact CG1-CG2 4.26Å; I45-T59 PolarHBondContact N-OG1 2.87Å; R57-T59 WeakPolarHBondContact CG-O 3.42Å; R57-T59 PolarHBondContact NE-O 2.83Å; T59-N69 HydrophobicContact CG2-CB 3.98Å; T59-Y98 HydrophobicContact CG2-CE1 4.25Å; T59-Y98 HydrophobicContact CG2-CE2 3.72Å
60	S	85.9	Confident	84.8	Confident	84 Å²	84	62.6 Å²	62.6	59%	0.587	33%	0.331	S	S	*	.			trans	-127.2	118.1	170	-169.2	0	0	0	0	108.8	D44	D44-S60 VanDerWaalsContact OD1-C 3.26Å; D44-S60 WeakPolarHBondContact OD1-CA 3.5Å; D44-S60 PolarHBondContact OD1-N 3.01Å; D44-S60 WeakPolarHBondContact OD2-CA 3.32Å
61	T	78.7	Confident	85.1	Confident	21 Å²	21	61.6 Å²	61.6	13%	0.129	32%	0.324	C	S	.	.			trans	-80.5	155.7	166.8	45.1	0	0	0	0	110.7	D42 G43 D44 V67 N69	D42-T61 PolarHBondContact O-OG1 2.69Å; D42-T61 VanDerWaalsContact O-OG1 3.13Å; G43-T61 VanDerWaalsContact O-CG2 3.24Å; G43-T61 WeakPolarHBondContact O-CG2 3.45Å; D44-T61 VanDerWaalsContact CG-N 3.31Å; D44-T61 WeakPolarHBondContact OD1-CG2 3.47Å; D44-T61 PolarHBondContact OD1-N 3.01Å; D44-T61 PolarHBondContact OD2-N 3.45Å; D44-T61 PolarHBondContact OD2-OG1 2.67Å; T61-V67 WeakPolarHBondContact CG2-O 3.36Å; T61-N69 VanDerWaalsContact CG2-ND2 3.26Å; T61-N69 WeakPolarHBondContact CG2-ND2 3.42Å
62	D	69.8	Low	85.5	Confident	98 Å²	98	61.4 Å²	61.4	52%	0.524	32%	0.323	S	S	.	.			trans	-75.5	153.8	169.2	-58.8	-44.5	0	0	0	109.7	D64 Q65	D62-D64 PolarHBondContact O-N 2.81Å; D62-Q65 PolarHBondContact O-N 3.01Å; D62-Q65 VanDerWaalsContact O-N 3.13Å
63	E	61	Low	85.9	Confident	199 Å²	199	56.6 Å²	56.6	93%	0.93	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.7	-173.2	-66.9	-175.4	166.1	0	0	114.4	Q65	E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.03Å
64	D	67.1	Low	86.2	Confident	111 Å²	111	55.8 Å²	55.8	59%	0.594	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.8	-177.6	-80.8	-1.2	0	0	0	114.9	D62 K66	D62-D64 PolarHBondContact O-N 2.81Å; D64-K66 HydrophobicContact CB-CD 4.01Å; D64-K66 HydrophobicContact CB-CG 4.1Å; D64-K66 PolarHBondContact O-N 3.2Å; D64-K66 IonicContact OD2-NZ 2.76Å; D64-K66 PolarHBondContact OD2-NZ 3.47Å
65	Q	70.4	Confident	86.5	Confident	110 Å²	110	48.7 Å²	48.7	51%	0.514	25%	0.246	S	C	.	.			trans	52.9	21	-177.5	-61.1	-170.5	-10	0	0	115.5	D62 E63 V67	D62-Q65 PolarHBondContact O-N 3.01Å; D62-Q65 VanDerWaalsContact O-N 3.13Å; E63-Q65 VanDerWaalsContact C-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.03Å; Q65-V67 PolarHBondContact O-N 3.27Å
66	K	85.2	Confident	86.7	Confident	95 Å²	95	47.9 Å²	47.9	41%	0.413	24%	0.24	S	C	.	.			trans	-74.8	-11.5	175.7	-68.3	169.1	-175.2	153.2	0	113.1	D64 N103	D64-K66 HydrophobicContact CB-CD 4.01Å; D64-K66 HydrophobicContact CB-CG 4.1Å; D64-K66 PolarHBondContact O-N 3.2Å; D64-K66 IonicContact OD2-NZ 2.76Å; D64-K66 PolarHBondContact OD2-NZ 3.47Å; K66-N103 WeakPolarHBondContact O-CB 3.12Å; K66-N103 PolarHBondContact O-N 3.14Å
67	V	91.4	Very high	86.9	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132	-179.8	-178.9	0	0	0	0	108.7	T61 Q65 R100 I101 N102	T61-V67 WeakPolarHBondContact CG2-O 3.36Å; Q65-V67 PolarHBondContact O-N 3.27Å; V67-R100 HydrophobicContact CG1-CG 3.73Å; V67-I101 CarbonylContact C-O 3.5Å; V67-I101 WeakPolarHBondContact CA-O 3.4Å; V67-N102 HydrophobicContact CG2-CB 4.23Å
68	L	92.2	Very high	86.8	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.9	176.7	-61.3	174.1	0	0	0	109.7	D73 R100 I101	L68-D73 HydrophobicContact CD1-CB 4Å; L68-R100 WeakPolarHBondContact O-CA 3.39Å; L68-I101 PolarHBondContact N-O 3.18Å; L68-I101 PolarHBondContact O-N 3.26Å
69	N	94.6	Very high	86.6	Confident	3 Å²	3	45 Å²	45	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.7	175.1	-59.7	-65.7	0	0	0	110.6	G43 D44 I45 T59 T61 L71 Y98 R100	G43-N69 WeakPolarHBondContact O-CB 3.4Å; G43-N69 PolarHBondContact O-N 2.73Å; G43-N69 VanDerWaalsContact O-N 3.08Å; G43-N69 PolarHBondContact O-ND2 3.43Å; D44-N69 PolarHBondContact OD1-ND2 3Å; I45-N69 HydrophobicContact CD1-CB 4.25Å; I45-N69 HydrophobicContact CG1-CB 4.09Å; I45-N69 WeakPolarHBondContact CG1-O 3.42Å; T59-N69 HydrophobicContact CG2-CB 3.98Å; T61-N69 VanDerWaalsContact CG2-ND2 3.26Å; T61-N69 WeakPolarHBondContact CG2-ND2 3.42Å; N69-L71 PolarHBondContact O-N 2.7Å; N69-Y98 HydrophobicContact CB-CD2 4.21Å; N69-Y98 HydrophobicContact CB-CE2 4.15Å; N69-R100 WeakPolarHBondContact OD1-CG 3.42Å
70	G	93.9	Very high	86.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	75.5	1.8	174	0	0	0	0	0	115.6	A86 H87 L99	G70-A86 CarbonylContact O-C 3.56Å; G70-A86 WeakPolarHBondContact O-CA 3.08Å; G70-A86 PolarHBondContact O-N 3.44Å; G70-H87 PolarHBondContact O-N 3.12Å; G70-H87 PolarHBondContact O-ND1 3.3Å; G70-L99 PolarHBondContact N-O 3.07Å
71	L	94.7	Very high	86.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-125.6	151.3	172.3	-61	178.6	0	0	0	110.5	Q26 Y27 V40 N69 Y84	Q26-L71 HydrophobicContact CB-CD1 3.65Å; Y27-L71 HydrophobicContact CD1-CD2 4.47Å; Y27-L71 HydrophobicContact CD2-CD2 4.48Å; Y27-L71 HydrophobicContact CG-CD2 3.96Å; V40-L71 HydrophobicContact CB-CD1 3.78Å; V40-L71 HydrophobicContact CB-CD2 4.45Å; V40-L71 HydrophobicContact CB-CG 4.09Å; V40-L71 HydrophobicContact CG1-CD1 3.44Å; V40-L71 VanDerWaalsContact CG1-CD1 3.44Å; V40-L71 HydrophobicContact CG1-CG 3.86Å; V40-L71 HydrophobicContact CG2-CD1 4.26Å; V40-L71 HydrophobicContact CG2-CD2 4.12Å; V40-L71 HydrophobicContact CG2-CG 4Å; N69-L71 PolarHBondContact O-N 2.7Å; L71-Y84 WeakPolarHBondContact CA-O 3.48Å; L71-Y84 HydrophobicContact CB-CE2 4.44Å; L71-Y84 HydrophobicContact CD1-CE1 4.16Å; L71-Y84 HydrophobicContact CD2-CD1 4.2Å; L71-Y84 HydrophobicContact CD2-CE1 3.96Å
72	S	94.8	Very high	87.2	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.028	22%	0.218	C	C	.	.			trans	-73.1	143.4	172.5	-62	0	0	0	0	111	T83 Y84	S72-T83 WeakPolarHBondContact CB-O 3.35Å; S72-T83 PolarHBondContact OG-O 3.23Å; S72-Y84 PolarHBondContact N-O 3.46Å; S72-Y84 PolarHBondContact OG-O 2.89Å
73	D	94.1	Very high	88.2	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.032	21%	0.208	C	C	.	.			trans	-75.9	179.9	156	79.6	-44.7	0	0	0	109.6	L68 T75 Y76 E77 I101	L68-D73 HydrophobicContact CD1-CB 4Å; D73-T75 VanDerWaalsContact C-N 3.28Å; D73-T75 PolarHBondContact O-N 3.03Å; D73-T75 PolarHBondContact OD1-N 3.17Å; D73-T75 VanDerWaalsContact OD2-CB 3.26Å; D73-T75 WeakPolarHBondContact OD2-CB 3.38Å; D73-T75 PolarHBondContact OD2-N 3.3Å; D73-T75 PolarHBondContact OD2-OG1 2.98Å; D73-Y76 PolarHBondContact O-N 3.32Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.23Å; D73-Y76 VanDerWaalsContact OD1-CD2 3.24Å; D73-Y76 WeakPolarHBondContact OD1-CD2 3.48Å; D73-Y76 PolarHBondContact OD1-N 3.02Å; D73-E77 WeakPolarHBondContact O-CB 3.33Å; D73-E77 PolarHBondContact O-N 3.17Å; D73-I101 HydrophobicContact CB-CG2 4.15Å
74	W	94.3	Very high	89.7	Confident	26 Å²	26	36.6 Å²	36.6	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-56.8	-41.8	178	-177.2	91.2	0	0	0	112.5	Y76 E77 E78 E79 F125 Y127 S526 A570 R571	W74-Y76 PolarHBondContact O-N 3.45Å; W74-E77 PolarHBondContact O-N 3.3Å; W74-E78 HydrophobicContact CD2-CB 4.47Å; W74-E78 HydrophobicContact CD2-CG 4.39Å; W74-E78 HydrophobicContact CH2-CB 4.22Å; W74-E78 HydrophobicContact CZ2-CB 3.82Å; W74-E78 HydrophobicContact CZ2-CG 3.92Å; W74-E78 WeakPolarHBondContact O-CB 3.29Å; W74-E78 PolarHBondContact O-N 3.5Å; W74-E79 HydrophobicContact CH2-CG 4.14Å; W74-E79 HydrophobicContact CZ3-CG 4.25Å; W74-F125 HydrophobicContact CB-CD2 3.95Å; W74-F125 HydrophobicContact CB-CE2 3.84Å; W74-F125 AromaticContact CD1-CE2 3.74Å; W74-F125 HydrophobicContact CD2-CE2 4.28Å; W74-F125 HydrophobicContact CG-CD2 4.25Å; W74-F125 AromaticContact CG-CE2 3.64Å; W74-F125 HydrophobicContact CG-CE2 3.64Å; W74-Y127 AromaticContact CD2-CD2 3.65Å; W74-Y127 HydrophobicContact CD2-CD2 3.65Å; W74-Y127 AromaticContact CD2-CE2 3.72Å; W74-Y127 HydrophobicContact CD2-CE2 3.72Å; W74-Y127 AromaticContact CE2-CE2 3.67Å; W74-Y127 AromaticContact CE3-CD2 3.45Å; W74-Y127 HydrophobicContact CE3-CD2 3.45Å; W74-Y127 VanDerWaalsContact CE3-CD2 3.45Å; W74-Y127 AromaticContact CE3-CE2 3.47Å; W74-Y127 HydrophobicContact CE3-CE2 3.47Å; W74-Y127 VanDerWaalsContact CE3-CE2 3.47Å; W74-Y127 HydrophobicContact CE3-CG 4.42Å; W74-Y127 HydrophobicContact CG-CD2 4.37Å; W74-Y127 HydrophobicContact CH2-CD2 4.16Å; W74-Y127 AromaticContact CH2-CE2 3.28Å; W74-Y127 HydrophobicContact CH2-CE2 3.28Å; W74-Y127 AromaticContact CH2-CZ 3.8Å; W74-Y127 HydrophobicContact CZ2-CD2 4.29Å; W74-Y127 AromaticContact CZ2-CE2 3.5Å; W74-Y127 HydrophobicContact CZ2-CE2 3.5Å; W74-Y127 VanDerWaalsContact CZ2-CE2 3.5Å; W74-Y127 AromaticContact CZ3-CD2 3.73Å; W74-Y127 HydrophobicContact CZ3-CD2 3.73Å; W74-Y127 AromaticContact CZ3-CE2 3.25Å; W74-Y127 HydrophobicContact CZ3-CE2 3.25Å; W74-Y127 AromaticContact CZ3-CZ 3.83Å; W74-S526 VanDerWaalsContact CZ3-CB 3.46Å; W74-A570 VanDerWaalsContact CE2-O 3.28Å; W74-A570 PolarHBondContact NE1-O 2.89Å; W74-R571 HydrophobicContact CZ2-CB 4.33Å; W74-R571 HydrophobicContact CZ2-CG 4.21Å
75	T	93.5	Very high	91	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-46.9	-179.4	-45.6	0	0	0	0	111	D73 E79 V80 P128 A528	D73-T75 VanDerWaalsContact C-N 3.28Å; D73-T75 PolarHBondContact O-N 3.03Å; D73-T75 PolarHBondContact OD1-N 3.17Å; D73-T75 VanDerWaalsContact OD2-CB 3.26Å; D73-T75 WeakPolarHBondContact OD2-CB 3.38Å; D73-T75 PolarHBondContact OD2-N 3.3Å; D73-T75 PolarHBondContact OD2-OG1 2.98Å; T75-E79 WeakPolarHBondContact O-CB 3.46Å; T75-E79 PolarHBondContact O-N 3.43Å; T75-V80 HydrophobicContact CG2-CG2 4.37Å; T75-V80 PolarHBondContact O-N 3.21Å; T75-P128 HydrophobicContact CG2-CG 4.27Å; T75-P128 VanDerWaalsContact OG1-CD 3.26Å; T75-P128 WeakPolarHBondContact OG1-CD 3.34Å; T75-P128 WeakPolarHBondContact OG1-CG 3.24Å; T75-A528 HydrophobicContact CG2-CB 4.17Å
76	Y	93.8	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-71	-36.9	179.4	-86.5	-112	0	0	0	112.3	D73 W74 V80 L81 L82 L99 I101 P135 V137 Y165 I166	D73-Y76 PolarHBondContact O-N 3.32Å; D73-Y76 WeakPolarHBondContact OD1-CB 3.23Å; D73-Y76 VanDerWaalsContact OD1-CD2 3.24Å; D73-Y76 WeakPolarHBondContact OD1-CD2 3.48Å; D73-Y76 PolarHBondContact OD1-N 3.02Å; W74-Y76 PolarHBondContact O-N 3.45Å; Y76-V80 HydrophobicContact CD1-CB 4.26Å; Y76-V80 HydrophobicContact CD1-CG1 4.21Å; Y76-V80 HydrophobicContact CE1-CB 4.49Å; Y76-V80 HydrophobicContact CE1-CG1 4.03Å; Y76-V80 HydrophobicContact CG-CB 4.28Å; Y76-L81 HydrophobicContact CD1-CD1 3.71Å; Y76-L81 HydrophobicContact CD1-CD2 4.47Å; Y76-L81 HydrophobicContact CD1-CG 3.65Å; Y76-L81 HydrophobicContact CE1-CG 4.39Å; Y76-L81 WeakPolarHBondContact O-CA 3.16Å; Y76-L81 WeakPolarHBondContact O-CB 3.07Å; Y76-L81 PolarHBondContact O-N 3.31Å; Y76-L82 PolarHBondContact O-N 2.78Å; Y76-L99 HydrophobicContact CD1-CD1 3.83Å; Y76-L99 HydrophobicContact CE1-CD1 3.76Å; Y76-I101 HydrophobicContact CD1-CD1 4.12Å; Y76-I101 HydrophobicContact CD2-CD1 3.97Å; Y76-I101 HydrophobicContact CG-CD1 3.75Å; Y76-P135 HydrophobicContact CE2-CG 4.45Å; Y76-V137 HydrophobicContact CE1-CG2 4.16Å; Y76-V137 WeakPolarHBondContact OH-CB 3.49Å; Y76-V137 WeakPolarHBondContact OH-CG1 3.25Å; Y76-Y165 HydrophobicContact CE2-CD1 4.19Å; Y76-Y165 WeakPolarHBondContact OH-CA 3.36Å; Y76-I166 WeakPolarHBondContact CE1-O 3.45Å; Y76-I166 PolarHBondContact OH-N 2.8Å; Y76-I166 VanDerWaalsContact OH-N 3.15Å
77	E	93.3	Very high	92.7	Very high	71 Å²	71	22.8 Å²	22.8	33%	0.332	11%	0.114	S	C	.	.	I	π-helix	trans	-68.9	-45.4	-180	-175.5	175.2	-177.8	0	0	111.9	D73 W74 L82 Y84	D73-E77 WeakPolarHBondContact O-CB 3.33Å; D73-E77 PolarHBondContact O-N 3.17Å; W74-E77 PolarHBondContact O-N 3.3Å; E77-L82 CarbonylContact O-C 3.6Å; E77-L82 WeakPolarHBondContact O-CA 3.4Å; E77-L82 PolarHBondContact O-N 2.88Å; E77-Y84 WeakPolarHBondContact OE2-CD2 3.01Å
78	E	90.1	Very high	92.9	Very high	53 Å²	53	24.8 Å²	24.8	25%	0.248	12%	0.121	C	C	.	.	I	π-helix	trans	-93.8	-26.8	-171.5	-71.1	-72.6	155.2	0	0	114.3	W74 L82 R571	W74-E78 HydrophobicContact CD2-CB 4.47Å; W74-E78 HydrophobicContact CD2-CG 4.39Å; W74-E78 HydrophobicContact CH2-CB 4.22Å; W74-E78 HydrophobicContact CZ2-CB 3.82Å; W74-E78 HydrophobicContact CZ2-CG 3.92Å; W74-E78 WeakPolarHBondContact O-CB 3.29Å; W74-E78 PolarHBondContact O-N 3.5Å; E78-L82 WeakPolarHBondContact O-CD2 3.42Å; E78-R571 WeakPolarHBondContact OE2-CD 3.01Å; E78-R571 IonicContact OE2-CZ 3.46Å; E78-R571 IonicContact OE2-NE 3.64Å; E78-R571 IonicContact OE2-NH1 2.79Å; E78-R571 PolarHBondContact OE2-NH1 3.18Å
79	E	88.9	Confident	93.1	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	12%	0.121	C	C	.	.	I	π-helix	trans	-124.5	-29.5	-169.1	-60.2	-70.7	175.6	0	0	115	W74 T75 Y525 S526 A528 R532	W74-E79 HydrophobicContact CH2-CG 4.14Å; W74-E79 HydrophobicContact CZ3-CG 4.25Å; T75-E79 WeakPolarHBondContact O-CB 3.46Å; T75-E79 PolarHBondContact O-N 3.43Å; E79-Y525 WeakPolarHBondContact OE1-CE1 3.47Å; E79-Y525 PolarHBondContact OE1-OH 2.82Å; E79-Y525 VanDerWaalsContact OE1-OH 3.13Å; E79-S526 PolarHBondContact OE1-OG 3.46Å; E79-A528 HydrophobicContact CB-CB 3.73Å; E79-A528 HydrophobicContact CG-CB 4.3Å; E79-R532 IonicContact OE2-NH2 2.73Å
80	V	89.8	Confident	93.1	Very high	20 Å²	20	25 Å²	25	12%	0.121	12%	0.12	C	C	.	.	I	π-helix	trans	-105.5	-59.4	-173.9	-174.7	0	0	0	0	113.3	T75 Y76 Y165 I166	T75-V80 HydrophobicContact CG2-CG2 4.37Å; T75-V80 PolarHBondContact O-N 3.21Å; Y76-V80 HydrophobicContact CD1-CB 4.26Å; Y76-V80 HydrophobicContact CD1-CG1 4.21Å; Y76-V80 HydrophobicContact CE1-CB 4.49Å; Y76-V80 HydrophobicContact CE1-CG1 4.03Å; Y76-V80 HydrophobicContact CG-CB 4.28Å; V80-Y165 HydrophobicContact CG1-CG 4.5Å; V80-Y165 HydrophobicContact CG2-CD1 3.91Å; V80-Y165 HydrophobicContact CG2-CE1 4.27Å; V80-Y165 HydrophobicContact CG2-CG 4.22Å; V80-I166 WeakPolarHBondContact CG1-O 3.41Å
81	L	89.9	Confident	92.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-93.2	-25.7	-177.6	-64.8	-179.2	0	0	0	113.6	Y76 T83 A86 W88 L99 I166 Q217	Y76-L81 HydrophobicContact CD1-CD1 3.71Å; Y76-L81 HydrophobicContact CD1-CD2 4.47Å; Y76-L81 HydrophobicContact CD1-CG 3.65Å; Y76-L81 HydrophobicContact CE1-CG 4.39Å; Y76-L81 WeakPolarHBondContact O-CA 3.16Å; Y76-L81 WeakPolarHBondContact O-CB 3.07Å; Y76-L81 PolarHBondContact O-N 3.31Å; L81-T83 HydrophobicContact CB-CG2 3.82Å; L81-T83 PolarHBondContact O-N 2.01Å; L81-A86 HydrophobicContact CD1-CB 4.13Å; L81-W88 HydrophobicContact CD1-CH2 4.32Å; L81-W88 HydrophobicContact CD1-CZ2 4.37Å; L81-L99 HydrophobicContact CD1-CD1 3.76Å; L81-I166 WeakPolarHBondContact CD2-O 3.31Å; L81-Q217 VanDerWaalsContact CA-NE2 3.32Å; L81-Q217 PolarHBondContact O-NE2 3.39Å
82	L	89.6	Confident	92.7	Very high	84 Å²	84	33 Å²	33	44%	0.44	16%	0.16	S	C	.	.	S	Bend	trans	60	26	-175.8	-49.1	-179	0	0	0	112.7	Y76 E77 E78	Y76-L82 PolarHBondContact O-N 2.78Å; E77-L82 CarbonylContact O-C 3.6Å; E77-L82 WeakPolarHBondContact O-CA 3.4Å; E77-L82 PolarHBondContact O-N 2.88Å; E78-L82 WeakPolarHBondContact O-CD2 3.42Å
83	T	90.2	Very high	92.6	Very high	53 Å²	53	32.9 Å²	32.9	33%	0.325	16%	0.159	S	C	.	.	S	Bend	trans	-150	145.4	177.6	175.5	0	0	0	0	110.4	S72 L81 A85	S72-T83 WeakPolarHBondContact CB-O 3.35Å; S72-T83 PolarHBondContact OG-O 3.23Å; L81-T83 HydrophobicContact CB-CG2 3.82Å; L81-T83 PolarHBondContact O-N 2.01Å; T83-A85 WeakPolarHBondContact CG2-O 3.31Å; T83-A85 PolarHBondContact OG1-N 2.93Å
84	Y	91.7	Very high	92.6	Very high	77 Å²	77	33.4 Å²	33.4	30%	0.302	16%	0.164	S	C	.	.	S	Bend	trans	-76	-36.8	177.1	-175	-126.2	0	0	0	112.7	Q26 Y27 L71 S72 E77 A86	Q26-Y84 WeakPolarHBondContact O-CE1 3.19Å; Y27-Y84 HydrophobicContact CD2-CD1 4.05Å; Y27-Y84 HydrophobicContact CD2-CE1 4.45Å; L71-Y84 WeakPolarHBondContact CA-O 3.48Å; L71-Y84 HydrophobicContact CB-CE2 4.44Å; L71-Y84 HydrophobicContact CD1-CE1 4.16Å; L71-Y84 HydrophobicContact CD2-CD1 4.2Å; L71-Y84 HydrophobicContact CD2-CE1 3.96Å; S72-Y84 PolarHBondContact N-O 3.46Å; S72-Y84 PolarHBondContact OG-O 2.89Å; E77-Y84 WeakPolarHBondContact OE2-CD2 3.01Å; Y84-A86 PolarHBondContact O-N 3.11Å
85	A	93.9	Very high	92.6	Very high	13 Å²	13	34.3 Å²	34.3	11%	0.107	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-75.5	123.8	176.6	0	0	0	0	0	110.3	Y27 T83	Y27-A85 HydrophobicContact CE1-CB 4.1Å; Y27-A85 HydrophobicContact CE2-CB 3.98Å; T83-A85 WeakPolarHBondContact CG2-O 3.31Å; T83-A85 PolarHBondContact OG1-N 2.93Å
86	A	95.9	Very high	92.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.168	C	C	.	.			trans	-119.2	37.2	177.3	0	0	0	0	0	111.3	G70 L81 Y84 W88 Y98 L99	G70-A86 CarbonylContact O-C 3.56Å; G70-A86 WeakPolarHBondContact O-CA 3.08Å; G70-A86 PolarHBondContact O-N 3.44Å; L81-A86 HydrophobicContact CD1-CB 4.13Å; Y84-A86 PolarHBondContact O-N 3.11Å; A86-W88 HydrophobicContact CB-CH2 4.41Å; A86-W88 WeakPolarHBondContact O-CZ3 3.39Å; A86-Y98 CarbonylContact O-C 3.6Å; A86-Y98 WeakPolarHBondContact O-CA 3.42Å; A86-L99 HydrophobicContact CB-CB 4.06Å; A86-L99 HydrophobicContact CB-CD1 4.19Å; A86-L99 HydrophobicContact CB-CG 4.18Å; A86-L99 PolarHBondContact O-N 3.34Å
87	H	96.1	Very high	92.9	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.06	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.6	171.4	60.9	-86.9	0	0	0	111.2	Y27 S29 G70 L96 A97	Y27-H87 AromaticContact CD1-CE1 3.41Å; Y27-H87 VanDerWaalsContact CD1-CE1 3.41Å; Y27-H87 WeakPolarHBondContact CD1-CE1 3.47Å; Y27-H87 AromaticContact CD1-NE2 3.96Å; Y27-H87 AromaticContact CE1-CE1 3.27Å; Y27-H87 WeakPolarHBondContact CE1-CE1 3.25Å; Y27-H87 AromaticContact CE1-NE2 3.51Å; S29-H87 PolarHBondContact OG-NE2 3.43Å; G70-H87 PolarHBondContact O-N 3.12Å; G70-H87 PolarHBondContact O-ND1 3.3Å; H87-L96 HydrophobicContact CB-CD1 4.28Å; H87-L96 HydrophobicContact CB-CG 4.47Å; H87-A97 CarbonylContact C-O 3.53Å; H87-A97 WeakPolarHBondContact CA-O 3.37Å; H87-A97 WeakPolarHBondContact CB-O 3.34Å
88	W	95.9	Very high	93.1	Very high	46 Å²	46	31.5 Å²	31.5	17%	0.174	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124.4	-173.3	-55.9	-90.3	0	0	0	110.5	L81 A86 A97 L99 L139 V169 W171	L81-W88 HydrophobicContact CD1-CH2 4.32Å; L81-W88 HydrophobicContact CD1-CZ2 4.37Å; A86-W88 HydrophobicContact CB-CH2 4.41Å; A86-W88 WeakPolarHBondContact O-CZ3 3.39Å; W88-A97 HydrophobicContact CE3-CB 4.4Å; W88-A97 PolarHBondContact N-O 3.17Å; W88-A97 PolarHBondContact O-N 3.39Å; W88-L99 HydrophobicContact CH2-CD1 4.05Å; W88-L99 HydrophobicContact CH2-CD2 4.29Å; W88-L99 HydrophobicContact CH2-CG 3.75Å; W88-L99 HydrophobicContact CZ3-CD2 4.14Å; W88-L99 HydrophobicContact CZ3-CG 3.83Å; W88-L139 HydrophobicContact CZ3-CD1 4.34Å; W88-V169 HydrophobicContact CD2-CB 3.85Å; W88-V169 HydrophobicContact CD2-CG1 4.02Å; W88-V169 HydrophobicContact CE3-CB 3.79Å; W88-V169 HydrophobicContact CE3-CG1 3.77Å; W88-V169 HydrophobicContact CE3-CG2 4.23Å; W88-V169 HydrophobicContact CH2-CB 3.91Å; W88-V169 HydrophobicContact CH2-CG2 3.76Å; W88-V169 HydrophobicContact CZ2-CB 3.98Å; W88-V169 HydrophobicContact CZ2-CG2 4.24Å; W88-V169 HydrophobicContact CZ3-CB 3.81Å; W88-V169 HydrophobicContact CZ3-CG1 4.14Å; W88-V169 HydrophobicContact CZ3-CG2 3.75Å; W88-W171 PolarHBondContact O-NE1 3.48Å
89	W	95.4	Very high	93.5	Very high	40 Å²	40	29 Å²	29	15%	0.152	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.8	175.1	-64.6	90.2	0	0	0	111.4	S29 P32 Q36 A38 Y47 L96 L144 W171	S29-W89 PolarHBondContact OG-NE1 2.87Å; P32-W89 HydrophobicContact CG-CB 3.98Å; Q36-W89 HydrophobicContact CG-CH2 4.11Å; Q36-W89 HydrophobicContact CG-CZ3 4.02Å; A38-W89 HydrophobicContact CB-CH2 3.99Å; A38-W89 HydrophobicContact CB-CZ2 3.43Å; A38-W89 VanDerWaalsContact CB-CZ2 3.43Å; Y47-W89 AromaticContact CD2-CH2 3.77Å; Y47-W89 HydrophobicContact CD2-CH2 3.77Å; Y47-W89 HydrophobicContact CD2-CZ3 4.29Å; Y47-W89 AromaticContact CE2-CH2 3.72Å; Y47-W89 HydrophobicContact CE2-CH2 3.72Å; Y47-W89 AromaticContact CE2-CZ3 3.91Å; Y47-W89 HydrophobicContact CE2-CZ3 3.91Å; W89-L96 HydrophobicContact CD2-CD1 3.75Å; W89-L96 HydrophobicContact CE3-CD1 4.18Å; W89-L96 HydrophobicContact CG-CD1 3.98Å; W89-L96 HydrophobicContact CZ2-CD1 4.45Å; W89-L144 HydrophobicContact CE3-CD1 3.93Å; W89-L144 HydrophobicContact CH2-CD1 4.21Å; W89-L144 HydrophobicContact CZ3-CD1 3.35Å; W89-W171 VanDerWaalsContact C-CD1 3.48Å; W89-W171 PolarHBondContact O-NE1 3.2Å
90	S	94.7	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.			trans	-61.6	153.5	164.1	51.4	0	0	0	0	111	P32 D92 G93 A94 R95	P32-S90 VanDerWaalsContact CG-O 3.28Å; P32-S90 WeakPolarHBondContact CG-O 3.37Å; S90-D92 VanDerWaalsContact C-N 3.27Å; S90-D92 PolarHBondContact O-N 3.47Å; S90-D92 PolarHBondContact OG-OD1 2.85Å; S90-G93 WeakPolarHBondContact O-CA 3.23Å; S90-G93 PolarHBondContact O-N 3.39Å; S90-A94 PolarHBondContact OG-N 3.18Å; S90-R95 WeakPolarHBondContact CB-O 3.29Å; S90-R95 PolarHBondContact N-O 2.9Å; S90-R95 WeakPolarHBondContact OG-CA 3.39Å; S90-R95 PolarHBondContact OG-N 2.82Å; S90-R95 PolarHBondContact OG-O 3Å
91	M	88.8	Confident	94.1	Very high	112 Å²	112	31.4 Å²	31.4	55%	0.552	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.3	-173.6	-65.4	-163.3	-126.7	0	0	114	Q33 G93 I172	Q33-M91 PolarHBondContact NE2-O 3.32Å; M91-G93 VanDerWaalsContact C-N 3.32Å; M91-I172 VanDerWaalsContact CE-C 3.45Å; M91-I172 WeakPolarHBondContact CE-O 3.42Å
92	D	92.1	Very high	94.3	Very high	58 Å²	58	33.1 Å²	33.1	31%	0.31	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	0.7	175.2	63.6	-0.1	0	0	0	113.2	Q33 S90 A94 S174	Q33-D92 WeakPolarHBondContact CG-O 3.27Å; S90-D92 VanDerWaalsContact C-N 3.27Å; S90-D92 PolarHBondContact O-N 3.47Å; S90-D92 PolarHBondContact OG-OD1 2.85Å; D92-A94 PolarHBondContact O-N 3.27Å; D92-A94 WeakPolarHBondContact OD1-CB 3.45Å; D92-A94 PolarHBondContact OD1-N 3Å; D92-S174 WeakPolarHBondContact OD2-CB 3.43Å; D92-S174 PolarHBondContact OD2-OG 3.34Å
93	G	93.1	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	66.2	14.8	-179.9	0	0	0	0	0	114.6	Q36 S90 M91	Q36-G93 PolarHBondContact NE2-O 3.26Å; Q36-G93 PolarHBondContact OE1-O 3.46Å; S90-G93 WeakPolarHBondContact O-CA 3.23Å; S90-G93 PolarHBondContact O-N 3.39Å; M91-G93 VanDerWaalsContact C-N 3.32Å
94	A	93.5	Very high	94.6	Very high	17 Å²	17	30.1 Å²	30.1	14%	0.14	15%	0.146	C	C	.	.	S	Bend	trans	-82.3	-21.5	-179	0	0	0	0	0	113.8	S90 D92 N143 L144 Y145	S90-A94 PolarHBondContact OG-N 3.18Å; D92-A94 PolarHBondContact O-N 3.27Å; D92-A94 WeakPolarHBondContact OD1-CB 3.45Å; D92-A94 PolarHBondContact OD1-N 3Å; A94-N143 PolarHBondContact O-OD1 3.03Å; A94-N143 VanDerWaalsContact O-OD1 3.13Å; A94-L144 WeakPolarHBondContact O-CB 3.32Å; A94-L144 PolarHBondContact O-N 3.39Å; A94-Y145 HydrophobicContact CB-CD2 3.62Å; A94-Y145 HydrophobicContact CB-CE2 3.8Å
95	R	95.3	Very high	94.6	Very high	45 Å²	45	30.9 Å²	30.9	17%	0.17	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.9	-176.5	-60.4	176.8	-176.5	-93.7	-13.4	111.5	S90 V141 V142 W171 S174 A196	S90-R95 WeakPolarHBondContact CB-O 3.29Å; S90-R95 PolarHBondContact N-O 2.9Å; S90-R95 WeakPolarHBondContact OG-CA 3.39Å; S90-R95 PolarHBondContact OG-N 2.82Å; S90-R95 PolarHBondContact OG-O 3Å; R95-V141 HydrophobicContact CB-CG1 4.02Å; R95-V142 WeakPolarHBondContact CA-O 3.33Å; R95-W171 HydrophobicContact CB-CH2 3.61Å; R95-W171 HydrophobicContact CB-CZ2 3.99Å; R95-W171 HydrophobicContact CG-CH2 4.43Å; R95-S174 WeakPolarHBondContact CD-O 3.43Å; R95-A196 PolarHBondContact NH1-O 3.02Å; R95-A196 VanDerWaalsContact NH1-O 3.12Å
96	L	96.2	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.8	172.8	-171.2	70	0	0	0	109.2	I45 L58 H87 W89 V141 V142 L144	I45-L96 HydrophobicContact CG2-CD2 3.91Å; L58-L96 HydrophobicContact CD1-CD2 4.06Å; H87-L96 HydrophobicContact CB-CD1 4.28Å; H87-L96 HydrophobicContact CB-CG 4.47Å; W89-L96 HydrophobicContact CD2-CD1 3.75Å; W89-L96 HydrophobicContact CE3-CD1 4.18Å; W89-L96 HydrophobicContact CG-CD1 3.98Å; W89-L96 HydrophobicContact CZ2-CD1 4.45Å; L96-V141 WeakPolarHBondContact O-CA 3.03Å; L96-V142 HydrophobicContact CB-CG1 3.91Å; L96-V142 PolarHBondContact N-O 2.99Å; L96-V142 PolarHBondContact O-N 3.09Å; L96-L144 HydrophobicContact CB-CD1 4.24Å; L96-L144 HydrophobicContact CB-CD2 4.27Å; L96-L144 HydrophobicContact CB-CG 4.41Å
97	A	97.4	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.2	168.8	0	0	0	0	0	109	H87 W88 L139 F140 V141 W171 L177	H87-A97 CarbonylContact C-O 3.53Å; H87-A97 WeakPolarHBondContact CA-O 3.37Å; H87-A97 WeakPolarHBondContact CB-O 3.34Å; W88-A97 HydrophobicContact CE3-CB 4.4Å; W88-A97 PolarHBondContact N-O 3.17Å; W88-A97 PolarHBondContact O-N 3.39Å; A97-L139 HydrophobicContact CB-CD1 4.36Å; A97-F140 CarbonylContact C-O 3.53Å; A97-F140 VanDerWaalsContact CA-O 3.27Å; A97-F140 WeakPolarHBondContact CA-O 3.33Å; A97-V141 HydrophobicContact CB-CG2 4.05Å; A97-W171 HydrophobicContact CB-CZ2 3.84Å; A97-L177 HydrophobicContact CB-CD1 4.28Å; A97-L177 HydrophobicContact CB-CD2 4.23Å
98	Y	97.4	Very high	94.6	Very high	13 Å²	13	37.5 Å²	37.5	5%	0.051	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	149.4	178.5	69.3	-86	0	0	0	112.1	I45 T59 N69 A86 F140 V142 T150	I45-Y98 HydrophobicContact CD1-CD1 4Å; I45-Y98 HydrophobicContact CD1-CD2 3.67Å; I45-Y98 HydrophobicContact CD1-CE2 4.33Å; I45-Y98 HydrophobicContact CD1-CG 3.48Å; I45-Y98 VanDerWaalsContact CD1-CG 3.48Å; T59-Y98 HydrophobicContact CG2-CE1 4.25Å; T59-Y98 HydrophobicContact CG2-CE2 3.72Å; N69-Y98 HydrophobicContact CB-CD2 4.21Å; N69-Y98 HydrophobicContact CB-CE2 4.15Å; A86-Y98 CarbonylContact O-C 3.6Å; A86-Y98 WeakPolarHBondContact O-CA 3.42Å; Y98-F140 HydrophobicContact CD1-CB 4.1Å; Y98-F140 HydrophobicContact CD2-CB 4.45Å; Y98-F140 HydrophobicContact CE1-CB 3.52Å; Y98-F140 HydrophobicContact CE2-CB 3.93Å; Y98-F140 HydrophobicContact CE2-CD2 4.2Å; Y98-F140 HydrophobicContact CE2-CG 4.37Å; Y98-F140 VanDerWaalsContact CZ-CB 3.43Å; Y98-F140 PolarHBondContact N-O 2.79Å; Y98-F140 PolarHBondContact O-N 2.92Å; Y98-V142 HydrophobicContact CD1-CG1 4.44Å; Y98-V142 HydrophobicContact CE1-CB 4.45Å; Y98-V142 HydrophobicContact CE1-CG1 4.24Å; Y98-T150 HydrophobicContact CE1-CG2 4.29Å
99	L	97.1	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138	169.7	-61.7	-171.2	0	0	0	110.8	G70 Y76 L81 A86 W88 I101 V137 S138 L139 I166	G70-L99 PolarHBondContact N-O 3.07Å; Y76-L99 HydrophobicContact CD1-CD1 3.83Å; Y76-L99 HydrophobicContact CE1-CD1 3.76Å; L81-L99 HydrophobicContact CD1-CD1 3.76Å; A86-L99 HydrophobicContact CB-CB 4.06Å; A86-L99 HydrophobicContact CB-CD1 4.19Å; A86-L99 HydrophobicContact CB-CG 4.18Å; A86-L99 PolarHBondContact O-N 3.34Å; W88-L99 HydrophobicContact CH2-CD1 4.05Å; W88-L99 HydrophobicContact CH2-CD2 4.29Å; W88-L99 HydrophobicContact CH2-CG 3.75Å; W88-L99 HydrophobicContact CZ3-CD2 4.14Å; W88-L99 HydrophobicContact CZ3-CG 3.83Å; L99-I101 HydrophobicContact CB-CG1 4.23Å; L99-V137 HydrophobicContact CB-CG2 4.37Å; L99-V137 HydrophobicContact CD1-CG2 4.1Å; L99-V137 HydrophobicContact CD2-CG2 4.09Å; L99-V137 HydrophobicContact CG-CG2 4.43Å; L99-S138 WeakPolarHBondContact CA-O 3.21Å; L99-L139 HydrophobicContact CD2-CB 4.09Å; L99-L139 HydrophobicContact CD2-CD1 3.83Å; L99-I166 HydrophobicContact CD2-CB 4.42Å; L99-I166 HydrophobicContact CD2-CD1 3.79Å; L99-I166 HydrophobicContact CD2-CG2 4.28Å
100	R	95.9	Very high	94.5	Very high	84 Å²	84	40 Å²	40	32%	0.317	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	112.6	161.5	-179.5	173.8	-176.9	-115.4	0.7	107.7	V67 L68 N69 S138 F140	V67-R100 HydrophobicContact CG1-CG 3.73Å; L68-R100 WeakPolarHBondContact O-CA 3.39Å; N69-R100 WeakPolarHBondContact OD1-CG 3.42Å; R100-S138 PolarHBondContact N-O 3.32Å; R100-S138 PolarHBondContact O-N 3.25Å; R100-F140 HydrophobicContact CB-CD2 3.78Å; R100-F140 HydrophobicContact CB-CE2 3.69Å; R100-F140 HydrophobicContact CG-CE2 4.33Å
101	I	95.3	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.4	-179.6	-58.3	176.5	0	0	0	108	V67 L68 D73 Y76 L99 P135 V137	V67-I101 CarbonylContact C-O 3.5Å; V67-I101 WeakPolarHBondContact CA-O 3.4Å; L68-I101 PolarHBondContact N-O 3.18Å; L68-I101 PolarHBondContact O-N 3.26Å; D73-I101 HydrophobicContact CB-CG2 4.15Å; Y76-I101 HydrophobicContact CD1-CD1 4.12Å; Y76-I101 HydrophobicContact CD2-CD1 3.97Å; Y76-I101 HydrophobicContact CG-CD1 3.75Å; L99-I101 HydrophobicContact CB-CG1 4.23Å; I101-P135 HydrophobicContact CG2-CB 3.79Å; I101-P135 HydrophobicContact CG2-CG 4.45Å; I101-V137 HydrophobicContact CG1-CG2 4.35Å
102	N	94.3	Very high	94.7	Very high	40 Å²	40	37 Å²	37	21%	0.214	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.8	-178.7	179.9	0.8	0	0	0	110.8	V67 S104 T136	V67-N102 HydrophobicContact CG2-CB 4.23Å; N102-S104 WeakPolarHBondContact OD1-CB 3.36Å; N102-S104 PolarHBondContact OD1-N 3.42Å; N102-S104 PolarHBondContact OD1-OG 3.14Å; N102-T136 WeakPolarHBondContact CB-OG1 3.48Å; N102-T136 PolarHBondContact N-O 3.06Å; N102-T136 PolarHBondContact O-N 2.92Å
103	N	93.9	Very high	94.7	Very high	7 Å²	7	37 Å²	37	4%	0.037	20%	0.201	C	C	.	.			trans	-95.3	11.3	-178.8	-67.5	-68.7	0	0	0	113.7	K66 V105 T106 P126 P135	K66-N103 WeakPolarHBondContact O-CB 3.12Å; K66-N103 PolarHBondContact O-N 3.14Å; N103-V105 PolarHBondContact O-N 2.9Å; N103-V105 VanDerWaalsContact O-N 3.07Å; N103-T106 WeakPolarHBondContact O-CB 3.31Å; N103-T106 PolarHBondContact O-N 3.25Å; N103-P126 HydrophobicContact CB-CB 3.71Å; N103-P126 HydrophobicContact CB-CG 3.52Å; N103-P126 WeakPolarHBondContact OD1-CB 3.22Å; N103-P135 WeakPolarHBondContact OD1-CB 3.48Å
104	S	92.4	Very high	94.7	Very high	68 Å²	68	42.6 Å²	42.6	48%	0.476	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.8	-172	-61.9	0	0	0	0	114.7	N102	N102-S104 WeakPolarHBondContact OD1-CB 3.36Å; N102-S104 PolarHBondContact OD1-N 3.42Å; N102-S104 PolarHBondContact OD1-OG 3.14Å
105	V	92.9	Very high	94.5	Very high	93 Å²	93	46.9 Å²	46.9	56%	0.564	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-3.9	177.6	-61.3	0	0	0	0	112.9	N103 S133	N103-V105 PolarHBondContact O-N 2.9Å; N103-V105 VanDerWaalsContact O-N 3.07Å; V105-S133 WeakPolarHBondContact O-CB 3.18Å
106	T	94.5	Very high	94	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	28%	0.28	C	S	.	.	S	Bend	trans	-82.6	126.7	-175.7	-55.5	0	0	0	0	109.3	N103 P126 P128 P135	N103-T106 WeakPolarHBondContact O-CB 3.31Å; N103-T106 PolarHBondContact O-N 3.25Å; T106-P126 HydrophobicContact CG2-CB 3.9Å; T106-P128 HydrophobicContact CG2-CB 4.11Å; T106-P128 HydrophobicContact CG2-CG 4.23Å; T106-P135 WeakPolarHBondContact OG1-CA 3.48Å
107	P	95.5	Very high	93.7	Very high	60 Å²	60	51.3 Å²	51.3	39%	0.39	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.4	149.3	174	-24.2	34.8	0	0	0	111.5	Y127 S133	P107-Y127 CarbonylContact O-C 3.59Å; P107-Y127 PolarHBondContact O-N 2.83Å; P107-S133 WeakPolarHBondContact CD-O 3.4Å
108	V	94.9	Very high	93.5	Very high	96 Å²	96	58.5 Å²	58.5	58%	0.582	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.5	177.1	-62.9	0	0	0	0	110.9	I124 F125	V108-I124 HydrophobicContact CB-CG2 3.63Å; V108-I124 HydrophobicContact CG1-CG2 4.12Å; V108-I124 HydrophobicContact CG2-CG2 3.74Å; V108-F125 CarbonylContact C-O 3.52Å; V108-F125 VanDerWaalsContact CA-O 3.27Å; V108-F125 WeakPolarHBondContact CA-O 3.34Å
109	M	94.9	Very high	93.2	Very high	38 Å²	38	67.6 Å²	67.6	19%	0.187	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.8	166.4	-173.3	68.8	-157.5	0	0	109.3	I124 F125 Y127	M109-I124 WeakPolarHBondContact O-CA 3.29Å; M109-F125 HydrophobicContact CB-CE1 3.95Å; M109-F125 HydrophobicContact CB-CZ 4.32Å; M109-F125 HydrophobicContact CG-CE1 4.32Å; M109-F125 PolarHBondContact N-O 2.9Å; M109-F125 WeakPolarHBondContact O-CD1 3.34Å; M109-F125 PolarHBondContact O-N 2.93Å; M109-Y127 HydrophobicContact CB-CG 4.44Å
110	E	94.9	Very high	93	Very high	100 Å²	100	70 Å²	70	47%	0.467	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.6	176.2	-175.6	175.3	-160.3	0	0	110.1	N122 I124	E110-N122 HydrophobicContact CG-CB 3.7Å; E110-N122 VanDerWaalsContact OE1-CB 3.25Å; E110-N122 WeakPolarHBondContact OE1-CB 3.43Å; E110-N122 PolarHBondContact OE1-ND2 3.47Å; E110-I124 HydrophobicContact CG-CG1 4.3Å
111	I	94.2	Very high	92.7	Very high	9 Å²	9	70.6 Å²	70.6	5%	0.046	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.8	172.6	-56.8	-172.5	0	0	0	108.1	H113 N122 M123 F125 A568 A570	I111-H113 PolarHBondContact O-N 2.03Å; I111-N122 WeakPolarHBondContact O-CA 3.26Å; I111-N122 WeakPolarHBondContact O-CB 3.36Å; I111-M123 HydrophobicContact CB-CB 4.33Å; I111-M123 PolarHBondContact N-O 2.86Å; I111-M123 PolarHBondContact O-N 2.9Å; I111-F125 HydrophobicContact CD1-CD1 4.04Å; I111-F125 HydrophobicContact CD1-CE1 3.48Å; I111-F125 VanDerWaalsContact CD1-CE1 3.48Å; I111-F125 HydrophobicContact CD1-CZ 4.17Å; I111-F125 HydrophobicContact CG1-CD1 4.06Å; I111-F125 HydrophobicContact CG1-CE1 3.53Å; I111-A568 HydrophobicContact CG2-CB 3.63Å; I111-A570 HydrophobicContact CD1-CB 3.6Å
112	P	92.1	Very high	92.6	Very high	40 Å²	40	73.9 Å²	73.9	26%	0.26	43%	0.429	S	S	.	.			trans	-72.7	130.3	178.2	30.6	-33.4	0	0	0	110.2	F114 N122	P112-F114 HydrophobicContact CB-CE1 4.37Å; P112-F114 HydrophobicContact CB-CE2 3.86Å; P112-F114 HydrophobicContact CB-CZ 3.66Å; P112-F114 HydrophobicContact CG-CE2 3.91Å; P112-F114 HydrophobicContact CG-CZ 3.93Å; P112-N122 WeakPolarHBondContact CA-OD1 2.92Å
113	H	92.8	Very high	92.4	Very high	58 Å²	58	76.8 Å²	76.8	27%	0.269	44%	0.443	S	S	.	.			trans	-107.5	135.7	168.3	-74	-172.4	0	0	0	109.1	I111 P120 N122 D598	I111-H113 PolarHBondContact O-N 2.03Å; H113-P120 VanDerWaalsContact O-CB 3.29Å; H113-P120 WeakPolarHBondContact O-CB 3.25Å; H113-P120 WeakPolarHBondContact O-CG 3.23Å; H113-N122 PolarHBondContact N-OD1 3.08Å; H113-D598 WeakPolarHBondContact CA-OD1 3.44Å
114	F	92.9	Very high	92.3	Very high	118 Å²	118	81.7 Å²	81.7	52%	0.518	47%	0.468	S	S	.	.			trans	-113.9	-19.5	-175.4	-59.1	-78.5	0	0	0	112.7	P112 T567 D598	P112-F114 HydrophobicContact CB-CE1 4.37Å; P112-F114 HydrophobicContact CB-CE2 3.86Å; P112-F114 HydrophobicContact CB-CZ 3.66Å; P112-F114 HydrophobicContact CG-CE2 3.91Å; P112-F114 HydrophobicContact CG-CZ 3.93Å; F114-T567 HydrophobicContact CE2-CG2 4.25Å; F114-D598 PolarHBondContact N-OD1 2.85Å; F114-D598 PolarHBondContact N-OD2 3.08Å; F114-D598 VanDerWaalsContact N-OD2 3.13Å
115	L	90	Very high	92.3	Very high	106 Å²	106	79.5 Å²	79.5	56%	0.555	45%	0.45	S	S	*	.			trans	-103.4	164.9	-179.9	-48.1	178.3	0	0	0	110.3	P120 P597 D598	L115-P120 WeakPolarHBondContact O-CB 3.33Å; L115-P597 HydrophobicContact CD1-CB 4.35Å; L115-P597 HydrophobicContact CG-CB 4.42Å; L115-D598 WeakPolarHBondContact CA-OD2 3.42Å; L115-D598 WeakPolarHBondContact CB-OD2 3.39Å; L115-D598 HydrophobicContact CD1-CB 4.16Å; L115-D598 HydrophobicContact CG-CB 4.33Å; L115-D598 WeakPolarHBondContact CG-OD2 3.5Å; L115-D598 PolarHBondContact N-OD2 3.42Å
116	G	85	Confident	92.4	Very high	86 Å²	86	76.7 Å²	76.7	89%	0.887	43%	0.434	S	S	*	.	S	Bend	trans	104.7	4.7	171.7	0	0	0	0	0	116.7
117	G	89.4	Confident	92.5	Very high	53 Å²	53	76.5 Å²	76.5	55%	0.546	43%	0.432	S	S	.	.	S	Bend	trans	160.1	-173.3	172.6	0	0	0	0	0	113.7	Y119	G117-Y119 VanDerWaalsContact C-N 3.3Å
118	L	92.3	Very high	92.5	Very high	151 Å²	151	73.6 Å²	73.6	79%	0.791	41%	0.413	S	S	*	.	S	Bend	trans	-66.6	-33.6	176.1	-175.6	65.5	0	0	0	112.2
119	Y	92.3	Very high	92.6	Very high	203 Å²	203	71.3 Å²	71.3	80%	0.796	40%	0.395	S	S	*	.	S	Bend	trans	-133.4	86.3	178	-64.7	-76.7	0	0	0	108.5	G117	G117-Y119 VanDerWaalsContact C-N 3.3Å
120	P	92.4	Very high	92.7	Very high	51 Å²	51	70.3 Å²	70.3	33%	0.331	39%	0.393	S	S	.	.			trans	-64.7	148.1	175.7	29.9	-35.5	0	0	0	110.2	H113 L115	H113-P120 VanDerWaalsContact O-CB 3.29Å; H113-P120 WeakPolarHBondContact O-CB 3.25Å; H113-P120 WeakPolarHBondContact O-CG 3.23Å; L115-P120 WeakPolarHBondContact O-CB 3.33Å
121	S	90.6	Very high	92.6	Very high	96 Å²	96	67.7 Å²	67.7	67%	0.671	39%	0.393	S	S	*	.			trans	-104.1	134.4	178.4	59.4	0	0	0	0	110.5
122	N	91.9	Very high	92.7	Very high	69 Å²	69	68.6 Å²	68.6	37%	0.369	40%	0.4	S	S	.	.			trans	-71.8	150	177.1	-61.1	-19.2	0	0	0	111.2	E110 I111 P112 H113	E110-N122 HydrophobicContact CG-CB 3.7Å; E110-N122 VanDerWaalsContact OE1-CB 3.25Å; E110-N122 WeakPolarHBondContact OE1-CB 3.43Å; E110-N122 PolarHBondContact OE1-ND2 3.47Å; I111-N122 WeakPolarHBondContact O-CA 3.26Å; I111-N122 WeakPolarHBondContact O-CB 3.36Å; P112-N122 WeakPolarHBondContact CA-OD1 2.92Å; H113-N122 PolarHBondContact N-OD1 3.08Å
123	M	90.4	Very high	92.8	Very high	102 Å²	102	69.4 Å²	69.4	50%	0.502	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.7	174.1	179.6	175.8	177.6	0	0	109.4	I111	I111-M123 HydrophobicContact CB-CB 4.33Å; I111-M123 PolarHBondContact N-O 2.86Å; I111-M123 PolarHBondContact O-N 2.9Å
124	I	92.3	Very high	93	Very high	109 Å²	109	66.9 Å²	66.9	56%	0.559	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.6	179.5	-57.6	171.8	0	0	0	108.3	V108 M109 E110	V108-I124 HydrophobicContact CB-CG2 3.63Å; V108-I124 HydrophobicContact CG1-CG2 4.12Å; V108-I124 HydrophobicContact CG2-CG2 3.74Å; M109-I124 WeakPolarHBondContact O-CA 3.29Å; E110-I124 HydrophobicContact CG-CG1 4.3Å
125	F	91.8	Very high	93	Very high	22 Å²	22	61.4 Å²	61.4	10%	0.096	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.9	179.6	74	-71	0	0	0	112.3	W74 V108 M109 I111 Y127 A570 H573	W74-F125 HydrophobicContact CB-CD2 3.95Å; W74-F125 HydrophobicContact CB-CE2 3.84Å; W74-F125 AromaticContact CD1-CE2 3.74Å; W74-F125 HydrophobicContact CD2-CE2 4.28Å; W74-F125 HydrophobicContact CG-CD2 4.25Å; W74-F125 AromaticContact CG-CE2 3.64Å; W74-F125 HydrophobicContact CG-CE2 3.64Å; V108-F125 CarbonylContact C-O 3.52Å; V108-F125 VanDerWaalsContact CA-O 3.27Å; V108-F125 WeakPolarHBondContact CA-O 3.34Å; M109-F125 HydrophobicContact CB-CE1 3.95Å; M109-F125 HydrophobicContact CB-CZ 4.32Å; M109-F125 HydrophobicContact CG-CE1 4.32Å; M109-F125 PolarHBondContact N-O 2.9Å; M109-F125 WeakPolarHBondContact O-CD1 3.34Å; M109-F125 PolarHBondContact O-N 2.93Å; I111-F125 HydrophobicContact CD1-CD1 4.04Å; I111-F125 HydrophobicContact CD1-CE1 3.48Å; I111-F125 VanDerWaalsContact CD1-CE1 3.48Å; I111-F125 HydrophobicContact CD1-CZ 4.17Å; I111-F125 HydrophobicContact CG1-CD1 4.06Å; I111-F125 HydrophobicContact CG1-CE1 3.53Å; F125-Y127 AromaticContact CE2-CD2 3.75Å; F125-Y127 HydrophobicContact CE2-CD2 3.75Å; F125-Y127 HydrophobicContact CE2-CG 4.36Å; F125-Y127 AromaticContact CZ-CD2 3.88Å; F125-Y127 HydrophobicContact CZ-CD2 3.88Å; F125-Y127 HydrophobicContact CZ-CG 4.43Å; F125-Y127 PolarHBondContact O-N 2.8Å; F125-A570 HydrophobicContact CZ-CB 4.27Å; F125-H573 AromaticContact CZ-NE2 3.55Å
126	P	94.8	Very high	93.2	Very high	35 Å²	35	60 Å²	60	23%	0.227	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	126.3	175.7	-20.9	33.7	0	0	0	111.7	N103 T106	N103-P126 HydrophobicContact CB-CB 3.71Å; N103-P126 HydrophobicContact CB-CG 3.52Å; N103-P126 WeakPolarHBondContact OD1-CB 3.22Å; T106-P126 HydrophobicContact CG2-CB 3.9Å
127	Y	96.4	Very high	93.7	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.016	33%	0.33	C	S	.	.			trans	-146.2	104.7	177.1	-172.5	-78.9	0	0	0	110.4	W74 P107 M109 F125 K129 S526 R571 H573	W74-Y127 AromaticContact CD2-CD2 3.65Å; W74-Y127 HydrophobicContact CD2-CD2 3.65Å; W74-Y127 AromaticContact CD2-CE2 3.72Å; W74-Y127 HydrophobicContact CD2-CE2 3.72Å; W74-Y127 AromaticContact CE2-CE2 3.67Å; W74-Y127 AromaticContact CE3-CD2 3.45Å; W74-Y127 HydrophobicContact CE3-CD2 3.45Å; W74-Y127 VanDerWaalsContact CE3-CD2 3.45Å; W74-Y127 AromaticContact CE3-CE2 3.47Å; W74-Y127 HydrophobicContact CE3-CE2 3.47Å; W74-Y127 VanDerWaalsContact CE3-CE2 3.47Å; W74-Y127 HydrophobicContact CE3-CG 4.42Å; W74-Y127 HydrophobicContact CG-CD2 4.37Å; W74-Y127 HydrophobicContact CH2-CD2 4.16Å; W74-Y127 AromaticContact CH2-CE2 3.28Å; W74-Y127 HydrophobicContact CH2-CE2 3.28Å; W74-Y127 AromaticContact CH2-CZ 3.8Å; W74-Y127 HydrophobicContact CZ2-CD2 4.29Å; W74-Y127 AromaticContact CZ2-CE2 3.5Å; W74-Y127 HydrophobicContact CZ2-CE2 3.5Å; W74-Y127 VanDerWaalsContact CZ2-CE2 3.5Å; W74-Y127 AromaticContact CZ3-CD2 3.73Å; W74-Y127 HydrophobicContact CZ3-CD2 3.73Å; W74-Y127 AromaticContact CZ3-CE2 3.25Å; W74-Y127 HydrophobicContact CZ3-CE2 3.25Å; W74-Y127 AromaticContact CZ3-CZ 3.83Å; P107-Y127 CarbonylContact O-C 3.59Å; P107-Y127 PolarHBondContact O-N 2.83Å; M109-Y127 HydrophobicContact CB-CG 4.44Å; F125-Y127 AromaticContact CE2-CD2 3.75Å; F125-Y127 HydrophobicContact CE2-CD2 3.75Å; F125-Y127 HydrophobicContact CE2-CG 4.36Å; F125-Y127 AromaticContact CZ-CD2 3.88Å; F125-Y127 HydrophobicContact CZ-CD2 3.88Å; F125-Y127 HydrophobicContact CZ-CG 4.43Å; F125-Y127 PolarHBondContact O-N 2.8Å; Y127-K129 HydrophobicContact CD1-CG 3.87Å; Y127-K129 HydrophobicContact CE1-CG 3.8Å; Y127-K129 PolarHBondContact O-N 2.88Å; Y127-S526 PolarHBondContact OH-N 3.45Å; Y127-S526 VanDerWaalsContact OH-N 3.08Å; Y127-R571 PolarHBondContact OH-O 2.89Å; Y127-H573 AromaticContact CD1-CE1 3.57Å; Y127-H573 AromaticContact CD2-CE1 3.42Å; Y127-H573 VanDerWaalsContact CD2-CE1 3.42Å; Y127-H573 WeakPolarHBondContact CD2-CE1 3.31Å; Y127-H573 AromaticContact CD2-NE2 3.69Å; Y127-H573 AromaticContact CE1-CE1 3.49Å; Y127-H573 VanDerWaalsContact CE1-CE1 3.49Å; Y127-H573 WeakPolarHBondContact CE1-CE1 3.22Å; Y127-H573 AromaticContact CE2-CE1 3.29Å; Y127-H573 WeakPolarHBondContact CE2-CE1 3.24Å; Y127-H573 AromaticContact CE2-NE2 3.72Å; Y127-H573 AromaticContact CG-CE1 3.54Å; Y127-H573 AromaticContact CZ-CE1 3.35Å; Y127-H573 AromaticContact CZ-ND1 3.98Å
128	P	96.4	Very high	93.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.			trans	-78.7	110.7	175.6	30.5	-31.4	0	0	0	110.6	T75 T106 S132 I134 S526 A527	T75-P128 HydrophobicContact CG2-CG 4.27Å; T75-P128 VanDerWaalsContact OG1-CD 3.26Å; T75-P128 WeakPolarHBondContact OG1-CD 3.34Å; T75-P128 WeakPolarHBondContact OG1-CG 3.24Å; T106-P128 HydrophobicContact CG2-CB 4.11Å; T106-P128 HydrophobicContact CG2-CG 4.23Å; P128-S132 VanDerWaalsContact CA-OG 3.29Å; P128-S132 WeakPolarHBondContact CA-OG 2.99Å; P128-I134 HydrophobicContact CB-CG2 4.18Å; P128-S526 CarbonylContact O-C 3.43Å; P128-S526 WeakPolarHBondContact O-CA 3.29Å; P128-A527 HydrophobicContact CB-CB 4.23Å; P128-A527 PolarHBondContact O-N 2.76Å
129	K	97.1	Very high	94.2	Very high	48 Å²	48	48.4 Å²	48.4	21%	0.209	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-73	161.1	166.6	-72.1	178	176.2	170.9	0	111.5	Y127 G131 S132 F524 Y525	Y127-K129 HydrophobicContact CD1-CG 3.87Å; Y127-K129 HydrophobicContact CE1-CG 3.8Å; Y127-K129 PolarHBondContact O-N 2.88Å; K129-G131 PolarHBondContact O-N 2.63Å; K129-S132 PolarHBondContact N-OG 3.31Å; K129-S132 VanDerWaalsContact O-CB 3.32Å; K129-S132 WeakPolarHBondContact O-CB 3.21Å; K129-S132 PolarHBondContact O-N 3.19Å; K129-S132 PolarHBondContact O-OG 3.14Å; K129-F524 WeakPolarHBondContact CE-O 3.33Å; K129-Y525 WeakPolarHBondContact CA-O 2.87Å
130	A	95.7	Very high	94.4	Very high	16 Å²	16	40.3 Å²	40.3	13%	0.132	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	126.7	177.4	0	0	0	0	0	112.8	S132 Y525 P537 Y544	A130-S132 VanDerWaalsContact C-N 3.31Å; A130-S132 PolarHBondContact O-N 3.29Å; A130-Y525 PolarHBondContact N-O 3Å; A130-Y525 VanDerWaalsContact N-O 3.13Å; A130-P537 HydrophobicContact CB-CG 3.7Å; A130-Y544 HydrophobicContact CB-CE1 3.92Å
131	G	94.5	Very high	94.6	Very high	45 Å²	45	38 Å²	38	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-7.5	-179.8	0	0	0	0	0	115.9	K129 E531	K129-G131 PolarHBondContact O-N 2.63Å; G131-E531 WeakPolarHBondContact CA-OE1 3.43Å; G131-E531 PolarHBondContact N-OE1 3.07Å
132	S	95.8	Very high	94.9	Very high	28 Å²	28	33.5 Å²	33.5	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	-84	176.9	178.4	71.5	0	0	0	0	113.2	P128 K129 A130 R184	P128-S132 VanDerWaalsContact CA-OG 3.29Å; P128-S132 WeakPolarHBondContact CA-OG 2.99Å; K129-S132 PolarHBondContact N-OG 3.31Å; K129-S132 VanDerWaalsContact O-CB 3.32Å; K129-S132 WeakPolarHBondContact O-CB 3.21Å; K129-S132 PolarHBondContact O-N 3.19Å; K129-S132 PolarHBondContact O-OG 3.14Å; A130-S132 VanDerWaalsContact C-N 3.31Å; A130-S132 PolarHBondContact O-N 3.29Å; S132-R184 PolarHBondContact O-NH1 3.38Å; S132-R184 PolarHBondContact O-NH2 2.95Å
133	S	95.1	Very high	95	Very high	58 Å²	58	32 Å²	32	41%	0.406	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-73.9	128	178.1	-63	0	0	0	0	110.8	V105 P107	V105-S133 WeakPolarHBondContact O-CB 3.18Å; P107-S133 WeakPolarHBondContact CD-O 3.4Å
134	I	94.9	Very high	95	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-90.6	158.4	-179.9	64.6	163.2	0	0	0	111	P128 E163 Y165 R184 A527	P128-I134 HydrophobicContact CB-CG2 4.18Å; I134-E163 HydrophobicContact CD1-CB 4.1Å; I134-Y165 HydrophobicContact CD1-CD1 4.38Å; I134-Y165 HydrophobicContact CD1-CE1 3.62Å; I134-Y165 HydrophobicContact CD1-CE2 4.41Å; I134-R184 HydrophobicContact CD1-CB 4.36Å; I134-R184 HydrophobicContact CD1-CG 4.17Å; I134-A527 HydrophobicContact CG2-CB 3.98Å
135	P	94.3	Very high	94.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.013	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-61.1	144.8	175.3	23.2	-34.1	0	0	0	112.3	Y76 I101 N103 T106	Y76-P135 HydrophobicContact CE2-CG 4.45Å; I101-P135 HydrophobicContact CG2-CB 3.79Å; I101-P135 HydrophobicContact CG2-CG 4.45Å; N103-P135 WeakPolarHBondContact OD1-CB 3.48Å; T106-P135 WeakPolarHBondContact OG1-CA 3.48Å
136	T	94.3	Very high	93.9	Very high	78 Å²	78	30.9 Å²	30.9	48%	0.479	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.8	171.2	56.6	0	0	0	0	110.1	N102	N102-T136 WeakPolarHBondContact CB-OG1 3.48Å; N102-T136 PolarHBondContact N-O 3.06Å; N102-T136 PolarHBondContact O-N 2.92Å
137	V	94.6	Very high	93	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139	-176	69.6	0	0	0	0	110.8	Y76 L99 I101 I166	Y76-V137 HydrophobicContact CE1-CG2 4.16Å; Y76-V137 WeakPolarHBondContact OH-CB 3.49Å; Y76-V137 WeakPolarHBondContact OH-CG1 3.25Å; L99-V137 HydrophobicContact CB-CG2 4.37Å; L99-V137 HydrophobicContact CD1-CG2 4.1Å; L99-V137 HydrophobicContact CD2-CG2 4.09Å; L99-V137 HydrophobicContact CG-CG2 4.43Å; I101-V137 HydrophobicContact CG1-CG2 4.35Å; V137-I166 HydrophobicContact CG1-CD1 4.04Å; V137-I166 HydrophobicContact CG1-CG1 3.9Å; V137-I166 HydrophobicContact CG2-CD1 3.93Å; V137-I166 HydrophobicContact CG2-CG1 4.36Å
138	S	95	Very high	92.2	Very high	29 Å²	29	35.8 Å²	35.8	20%	0.203	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.1	168.2	-73.8	0	0	0	0	109.7	L99 R100 F140 E152	L99-S138 WeakPolarHBondContact CA-O 3.21Å; R100-S138 PolarHBondContact N-O 3.32Å; R100-S138 PolarHBondContact O-N 3.25Å; S138-F140 VanDerWaalsContact CB-CE2 3.48Å; S138-E152 VanDerWaalsContact CB-OE1 3.25Å; S138-E152 WeakPolarHBondContact CB-OE1 2.91Å; S138-E152 PolarHBondContact OG-OE1 2.88Å
139	L	97.1	Very high	91.7	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.5	174.7	173.2	66.1	0	0	0	109.4	W88 A97 L99 E152 M153 I166 V169 V179	W88-L139 HydrophobicContact CZ3-CD1 4.34Å; A97-L139 HydrophobicContact CB-CD1 4.36Å; L99-L139 HydrophobicContact CD2-CB 4.09Å; L99-L139 HydrophobicContact CD2-CD1 3.83Å; L139-E152 WeakPolarHBondContact O-CA 3.26Å; L139-M153 HydrophobicContact CB-CB 4.19Å; L139-M153 HydrophobicContact CD2-CB 3.85Å; L139-M153 HydrophobicContact CD2-CG 3.87Å; L139-M153 HydrophobicContact CG-CB 4Å; L139-M153 HydrophobicContact CG-CG 3.94Å; L139-M153 PolarHBondContact O-N 3.19Å; L139-I166 HydrophobicContact CB-CD1 3.87Å; L139-V169 HydrophobicContact CD1-CG1 4.34Å; L139-V169 HydrophobicContact CD1-CG2 4.21Å; L139-V169 HydrophobicContact CD2-CG1 4.35Å; L139-V169 HydrophobicContact CD2-CG2 4.22Å; L139-V179 HydrophobicContact CD2-CB 4.45Å; L139-V179 HydrophobicContact CD2-CG1 4.08Å; L139-V179 HydrophobicContact CD2-CG2 3.47Å; L139-V179 VanDerWaalsContact CD2-CG2 3.47Å
140	F	97.1	Very high	91.6	Very high	33 Å²	33	42.4 Å²	42.4	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	153.1	177	-70.8	-84.2	0	0	0	111.3	A97 Y98 R100 S138 T150 L151 E152	A97-F140 CarbonylContact C-O 3.53Å; A97-F140 VanDerWaalsContact CA-O 3.27Å; A97-F140 WeakPolarHBondContact CA-O 3.33Å; Y98-F140 HydrophobicContact CD1-CB 4.1Å; Y98-F140 HydrophobicContact CD2-CB 4.45Å; Y98-F140 HydrophobicContact CE1-CB 3.52Å; Y98-F140 HydrophobicContact CE2-CB 3.93Å; Y98-F140 HydrophobicContact CE2-CD2 4.2Å; Y98-F140 HydrophobicContact CE2-CG 4.37Å; Y98-F140 VanDerWaalsContact CZ-CB 3.43Å; Y98-F140 PolarHBondContact N-O 2.79Å; Y98-F140 PolarHBondContact O-N 2.92Å; R100-F140 HydrophobicContact CB-CD2 3.78Å; R100-F140 HydrophobicContact CB-CE2 3.69Å; R100-F140 HydrophobicContact CG-CE2 4.33Å; S138-F140 VanDerWaalsContact CB-CE2 3.48Å; F140-T150 HydrophobicContact CB-CG2 3.9Å; F140-T150 HydrophobicContact CD1-CG2 3.78Å; F140-T150 HydrophobicContact CG-CG2 4.18Å; F140-L151 CarbonylContact C-O 3.6Å; F140-L151 WeakPolarHBondContact CA-O 3.18Å; F140-E152 HydrophobicContact CD1-CB 3.92Å; F140-E152 HydrophobicContact CD1-CG 4.39Å; F140-E152 HydrophobicContact CE1-CB 3.6Å; F140-E152 HydrophobicContact CE1-CG 3.98Å; F140-E152 HydrophobicContact CZ-CB 4.23Å; F140-E152 HydrophobicContact CZ-CG 4.12Å
141	V	97.1	Very high	91.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.9	169.3	-174.9	0	0	0	0	109.1	R95 L96 A97 T150 L151 M153 W171 L177 A196	R95-V141 HydrophobicContact CB-CG1 4.02Å; L96-V141 WeakPolarHBondContact O-CA 3.03Å; A97-V141 HydrophobicContact CB-CG2 4.05Å; V141-T150 WeakPolarHBondContact O-CA 3.01Å; V141-L151 PolarHBondContact N-O 3Å; V141-L151 PolarHBondContact O-N 3.21Å; V141-M153 HydrophobicContact CB-CE 4.15Å; V141-M153 HydrophobicContact CG2-CE 3.84Å; V141-M153 HydrophobicContact CG2-CG 3.94Å; V141-M153 HydrophobicContact CG2-SD 4.08Å; V141-W171 HydrophobicContact CG1-CH2 3.9Å; V141-W171 HydrophobicContact CG1-CZ2 4.3Å; V141-L177 HydrophobicContact CG2-CD1 3.47Å; V141-L177 VanDerWaalsContact CG2-CD1 3.47Å; V141-A196 HydrophobicContact CB-CB 4.44Å; V141-A196 HydrophobicContact CG1-CB 3.99Å; V141-A196 HydrophobicContact CG2-CB 4.35Å
142	V	95.7	Very high	91.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.2	175.2	62	0	0	0	0	110.5	L58 R95 L96 Y98 L144 A148 T150	L58-V142 HydrophobicContact CD1-CG1 4.05Å; L58-V142 HydrophobicContact CD2-CG2 4.43Å; R95-V142 WeakPolarHBondContact CA-O 3.33Å; L96-V142 HydrophobicContact CB-CG1 3.91Å; L96-V142 PolarHBondContact N-O 2.99Å; L96-V142 PolarHBondContact O-N 3.09Å; Y98-V142 HydrophobicContact CD1-CG1 4.44Å; Y98-V142 HydrophobicContact CE1-CB 4.45Å; Y98-V142 HydrophobicContact CE1-CG1 4.24Å; V142-L144 HydrophobicContact CG1-CD2 4.33Å; V142-A148 HydrophobicContact CG2-CB 4.12Å; V142-T150 HydrophobicContact CB-CG2 4.47Å; V142-T150 WeakPolarHBondContact CG2-OG1 3.28Å
143	N	93.7	Very high	91.6	Very high	38 Å²	38	44.7 Å²	44.7	20%	0.203	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.6	171.1	-174.8	27.3	0	0	0	110.2	A94 Y145 H149	A94-N143 PolarHBondContact O-OD1 3.03Å; A94-N143 VanDerWaalsContact O-OD1 3.13Å; N143-Y145 PolarHBondContact ND2-O 3.05Å; N143-H149 PolarHBondContact N-O 3.31Å
144	L	91.7	Very high	91.3	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	26%	0.263	C	S	.	.			trans	-92.2	-20.2	-176.1	-59.6	176.5	0	0	0	112.9	Y47 L58 W89 A94 L96 V142	Y47-L144 HydrophobicContact CD1-CD2 4.01Å; Y47-L144 HydrophobicContact CD2-CD1 4.24Å; Y47-L144 HydrophobicContact CD2-CD2 4.25Å; Y47-L144 HydrophobicContact CE1-CB 3.96Å; Y47-L144 HydrophobicContact CE1-CD2 4.28Å; Y47-L144 HydrophobicContact CE2-CD1 3.89Å; Y47-L144 HydrophobicContact CG-CD2 3.98Å; L58-L144 HydrophobicContact CD1-CD2 3.72Å; L58-L144 HydrophobicContact CD2-CD2 4.25Å; W89-L144 HydrophobicContact CE3-CD1 3.93Å; W89-L144 HydrophobicContact CH2-CD1 4.21Å; W89-L144 HydrophobicContact CZ3-CD1 3.35Å; A94-L144 WeakPolarHBondContact O-CB 3.32Å; A94-L144 PolarHBondContact O-N 3.39Å; L96-L144 HydrophobicContact CB-CD1 4.24Å; L96-L144 HydrophobicContact CB-CD2 4.27Å; L96-L144 HydrophobicContact CB-CG 4.41Å; V142-L144 HydrophobicContact CG1-CD2 4.33Å
145	Y	84.2	Confident	91	Very high	128 Å²	128	46.7 Å²	46.7	50%	0.502	27%	0.269	S	S	.	.	S	Bend	trans	-102	125.5	176.2	-66.2	-67.8	0	0	0	111.5	A94 N143	A94-Y145 HydrophobicContact CB-CD2 3.62Å; A94-Y145 HydrophobicContact CB-CE2 3.8Å; N143-Y145 PolarHBondContact ND2-O 3.05Å
146	G	76.6	Confident	90.5	Very high	67 Å²	67	47 Å²	47	69%	0.691	27%	0.271	S	S	*	.	S	Bend	trans	81	-147.6	-178.7	0	0	0	0	0	111.9	A148	G146-A148 PolarHBondContact O-N 2.7Å
147	P	76.5	Confident	90	Very high	91 Å²	91	48.8 Å²	48.8	59%	0.591	28%	0.278	S	S	*	.	S	Bend	trans	-70.6	127.3	-179	-8.9	23	0	0	0	110.4	H149	P147-H149 PolarHBondContact O-N 3.23Å; P147-H149 PolarHBondContact O-ND1 2.83Å
148	A	78.2	Confident	89.2	Confident	52 Å²	52	49.7 Å²	49.7	43%	0.43	29%	0.285	S	S	.	.			trans	-70.1	68.3	-178.5	0	0	0	0	0	112.1	V142 G146	V142-A148 HydrophobicContact CG2-CB 4.12Å; G146-A148 PolarHBondContact O-N 2.7Å
149	H	87.7	Confident	88.5	Confident	131 Å²	131	48.3 Å²	48.3	61%	0.606	28%	0.275	S	S	*	.			trans	-73.9	126.4	171.3	-70.7	81	0	0	0	109	N143 P147	N143-H149 PolarHBondContact N-O 3.31Å; P147-H149 PolarHBondContact O-N 3.23Å; P147-H149 PolarHBondContact O-ND1 2.83Å
150	T	93.2	Very high	87.6	Confident	56 Å²	56	54.9 Å²	54.9	34%	0.344	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	177.7	-56.2	0	0	0	0	109.1	Y98 F140 V141 V142	Y98-T150 HydrophobicContact CE1-CG2 4.29Å; F140-T150 HydrophobicContact CB-CG2 3.9Å; F140-T150 HydrophobicContact CD1-CG2 3.78Å; F140-T150 HydrophobicContact CG-CG2 4.18Å; V141-T150 WeakPolarHBondContact O-CA 3.01Å; V142-T150 HydrophobicContact CB-CG2 4.47Å; V142-T150 WeakPolarHBondContact CG2-OG1 3.28Å
151	L	94.8	Very high	86.6	Confident	62 Å²	62	58.8 Å²	58.8	33%	0.325	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	179.2	-65.7	173.8	0	0	0	110.3	F140 V141 M153 T197	F140-L151 CarbonylContact C-O 3.6Å; F140-L151 WeakPolarHBondContact CA-O 3.18Å; V141-L151 PolarHBondContact N-O 3Å; V141-L151 PolarHBondContact O-N 3.21Å; L151-M153 HydrophobicContact CB-CE 3.91Å; L151-T197 VanDerWaalsContact CD1-O 3.3Å; L151-T197 WeakPolarHBondContact CD1-O 3.22Å
152	E	95.7	Very high	85.9	Confident	75 Å²	75	65.4 Å²	65.4	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.6	171.4	-169.2	172.4	-171.1	0	0	110.3	S138 L139 F140 L154	S138-E152 VanDerWaalsContact CB-OE1 3.25Å; S138-E152 WeakPolarHBondContact CB-OE1 2.91Å; S138-E152 PolarHBondContact OG-OE1 2.88Å; L139-E152 WeakPolarHBondContact O-CA 3.26Å; F140-E152 HydrophobicContact CD1-CB 3.92Å; F140-E152 HydrophobicContact CD1-CG 4.39Å; F140-E152 HydrophobicContact CE1-CB 3.6Å; F140-E152 HydrophobicContact CE1-CG 3.98Å; F140-E152 HydrophobicContact CZ-CB 4.23Å; F140-E152 HydrophobicContact CZ-CG 4.12Å; E152-L154 PolarHBondContact O-N 2.73Å
153	M	95.4	Very high	85.4	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106	171.8	-60.4	-59	106.3	0	0	108.4	L139 V141 L151 C194	L139-M153 HydrophobicContact CB-CB 4.19Å; L139-M153 HydrophobicContact CD2-CB 3.85Å; L139-M153 HydrophobicContact CD2-CG 3.87Å; L139-M153 HydrophobicContact CG-CB 4Å; L139-M153 HydrophobicContact CG-CG 3.94Å; L139-M153 PolarHBondContact O-N 3.19Å; V141-M153 HydrophobicContact CB-CE 4.15Å; V141-M153 HydrophobicContact CG2-CE 3.84Å; V141-M153 HydrophobicContact CG2-CG 3.94Å; V141-M153 HydrophobicContact CG2-SD 4.08Å; L151-M153 HydrophobicContact CB-CE 3.91Å; M153-C194 HydrophobicContact CB-CB 4.48Å; M153-C194 HydrophobicContact CG-CB 4.37Å; M153-C194 HydrophobicContact SD-CB 3.83Å
154	L	90.6	Very high	85.3	Confident	82 Å²	82	69 Å²	69	43%	0.429	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-69	137.7	-171.3	-64.4	176.6	0	0	0	112.2	E152 G199 C201	E152-L154 PolarHBondContact O-N 2.73Å; L154-G199 PolarHBondContact N-O 2.87Å; L154-C201 VanDerWaalsContact O-CB 3.3Å; L154-C201 WeakPolarHBondContact O-CB 3.48Å; L154-C201 PolarHBondContact O-SG 3.45Å
155	P	87.3	Confident	85.3	Confident	22 Å²	22	68.4 Å²	68.4	14%	0.143	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-64.9	153.3	173.7	27.4	-34.2	0	0	0	111	R160 W181	P155-R160 HydrophobicContact CG-CB 4.36Å; P155-R160 HydrophobicContact CG-CG 4.25Å; P155-W181 HydrophobicContact CB-CD2 4.31Å; P155-W181 HydrophobicContact CB-CE3 4.07Å; P155-W181 HydrophobicContact CB-CH2 3.83Å; P155-W181 HydrophobicContact CB-CZ2 4.08Å; P155-W181 HydrophobicContact CB-CZ3 3.82Å
156	P	83.8	Confident	85.7	Confident	8 Å²	8	62.3 Å²	62.3	5%	0.052	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.1	147.4	175.9	24.1	-31.9	0	0	0	111.6	S158 L159 R160 W181 V190 E203	P156-S158 PolarHBondContact O-N 3.03Å; P156-L159 HydrophobicContact CG-CB 4.21Å; P156-L159 HydrophobicContact CG-CD1 4.15Å; P156-L159 HydrophobicContact CG-CG 4.38Å; P156-L159 PolarHBondContact O-N 3.23Å; P156-R160 PolarHBondContact O-N 2.79Å; P156-W181 HydrophobicContact CG-CB 4.45Å; P156-W181 HydrophobicContact CG-CG 4.19Å; P156-V190 HydrophobicContact CG-CB 4.44Å; P156-V190 HydrophobicContact CG-CG1 4.27Å; P156-E203 HydrophobicContact CB-CG 3.6Å; P156-E203 VanDerWaalsContact CB-OE1 3.23Å; P156-E203 WeakPolarHBondContact CB-OE1 3.12Å
157	D	83.8	Confident	86.4	Confident	117 Å²	117	59.6 Å²	59.6	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.1	-176.8	-66.1	-29.2	0	0	0	112.4	L159 R160	D157-L159 PolarHBondContact O-N 2.81Å; D157-R160 IonicContact OD1-CZ 2.76Å; D157-R160 IonicContact OD1-NE 3.67Å; D157-R160 IonicContact OD1-NH1 3.5Å; D157-R160 PolarHBondContact OD1-NH1 2.82Å; D157-R160 IonicContact OD1-NH2 3.43Å; D157-R160 PolarHBondContact OD1-NH2 2.81Å
158	S	78.4	Confident	87	Confident	36 Å²	36	55.3 Å²	55.3	25%	0.252	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.8	177.8	59.4	0	0	0	0	114.8	P156 E203	P156-S158 PolarHBondContact O-N 3.03Å; S158-E203 WeakPolarHBondContact CB-OE1 3.28Å; S158-E203 PolarHBondContact OG-OE1 3.04Å
159	L	80.3	Confident	87.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-6.7	-178.7	-64.7	176.1	0	0	0	113.5	P156 D157 S161 R162 N164 W181 N183 V190	P156-L159 HydrophobicContact CG-CB 4.21Å; P156-L159 HydrophobicContact CG-CD1 4.15Å; P156-L159 HydrophobicContact CG-CG 4.38Å; P156-L159 PolarHBondContact O-N 3.23Å; D157-L159 PolarHBondContact O-N 2.81Å; L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 2.83Å; L159-R162 PolarHBondContact O-N 2.91Å; L159-R162 VanDerWaalsContact O-O 3.09Å; L159-N164 PolarHBondContact O-ND2 3.5Å; L159-W181 HydrophobicContact CD1-CB 3.53Å; L159-N183 HydrophobicContact CD2-CB 3.9Å; L159-V190 HydrophobicContact CD1-CB 4.33Å; L159-V190 HydrophobicContact CD1-CG2 3.92Å
160	R	78.1	Confident	87.9	Confident	138 Å²	138	48 Å²	48	52%	0.521	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.8	-174.9	-172.5	178.1	-65.5	170.9	8.2	114	P155 P156 D157	P155-R160 HydrophobicContact CG-CB 4.36Å; P155-R160 HydrophobicContact CG-CG 4.25Å; P156-R160 PolarHBondContact O-N 2.79Å; D157-R160 IonicContact OD1-CZ 2.76Å; D157-R160 IonicContact OD1-NE 3.67Å; D157-R160 IonicContact OD1-NH1 3.5Å; D157-R160 PolarHBondContact OD1-NH1 2.82Å; D157-R160 IonicContact OD1-NH2 3.43Å; D157-R160 PolarHBondContact OD1-NH2 2.81Å
161	S	75.9	Confident	87.9	Confident	114 Å²	114	46.5 Å²	46.5	80%	0.797	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9.2	-179.7	59.2	0	0	0	0	114.1	L159	L159-S161 VanDerWaalsContact C-N 3.27Å; L159-S161 PolarHBondContact O-N 2.83Å
162	R	81.8	Confident	87.7	Confident	141 Å²	141	44.2 Å²	44.2	53%	0.532	22%	0.224	S	C	.	.	S	Bend	trans	-120.5	147.6	-176.5	-63.4	-177.1	176.9	-172.9	-0.7	110.3	L159 N164	L159-R162 PolarHBondContact O-N 2.91Å; L159-R162 VanDerWaalsContact O-O 3.09Å; R162-N164 PolarHBondContact O-N 3.47Å; R162-N164 PolarHBondContact O-ND2 2.89Å; R162-N164 VanDerWaalsContact O-ND2 3.1Å
163	E	86.3	Confident	87.4	Confident	92 Å²	92	42.4 Å²	42.4	43%	0.43	22%	0.22	S	C	.	.			trans	-57.9	127.4	165.7	-69	179.8	140.2	0	0	109.9	I134 R184	I134-E163 HydrophobicContact CD1-CB 4.1Å; E163-R184 HydrophobicContact CB-CB 3.93Å; E163-R184 PolarHBondContact O-N 3.46Å; E163-R184 IonicContact OE1-NH1 2.63Å; E163-R184 PolarHBondContact OE1-NH1 3.32Å; E163-R184 WeakPolarHBondContact OE2-CD 3.48Å; E163-R184 IonicContact OE2-CZ 3.13Å; E163-R184 IonicContact OE2-NE 3.45Å; E163-R184 IonicContact OE2-NH1 3.25Å; E163-R184 PolarHBondContact OE2-NH1 2.86Å
164	N	90.2	Very high	87.2	Confident	23 Å²	23	44.2 Å²	44.2	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.6	-173.6	65.8	60.6	0	0	0	111.2	L159 R162 L182	L159-N164 PolarHBondContact O-ND2 3.5Å; R162-N164 PolarHBondContact O-N 3.47Å; R162-N164 PolarHBondContact O-ND2 2.89Å; R162-N164 VanDerWaalsContact O-ND2 3.1Å; N164-L182 CarbonylContact C-O 3.6Å; N164-L182 WeakPolarHBondContact CA-O 3.46Å; N164-L182 VanDerWaalsContact CB-O 3.24Å; N164-L182 WeakPolarHBondContact CB-O 2.97Å
165	Y	92.5	Very high	87.2	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.8	172.4	-57.7	-69.2	0	0	0	109.7	Y76 V80 I134 L182 Q186	Y76-Y165 HydrophobicContact CE2-CD1 4.19Å; Y76-Y165 WeakPolarHBondContact OH-CA 3.36Å; V80-Y165 HydrophobicContact CG1-CG 4.5Å; V80-Y165 HydrophobicContact CG2-CD1 3.91Å; V80-Y165 HydrophobicContact CG2-CE1 4.27Å; V80-Y165 HydrophobicContact CG2-CG 4.22Å; I134-Y165 HydrophobicContact CD1-CD1 4.38Å; I134-Y165 HydrophobicContact CD1-CE1 3.62Å; I134-Y165 HydrophobicContact CD1-CE2 4.41Å; Y165-L182 HydrophobicContact CD2-CD2 4.47Å; Y165-L182 PolarHBondContact N-O 2.96Å; Y165-L182 PolarHBondContact O-N 3.01Å; Y165-Q186 HydrophobicContact CD2-CG 4.47Å; Y165-Q186 HydrophobicContact CE2-CG 4.38Å
166	I	93.4	Very high	87.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.7	165	-62.2	174.6	0	0	0	107.3	Y76 V80 L81 L99 V137 L139 V169 V179 W181	Y76-I166 WeakPolarHBondContact CE1-O 3.45Å; Y76-I166 PolarHBondContact OH-N 2.8Å; Y76-I166 VanDerWaalsContact OH-N 3.15Å; V80-I166 WeakPolarHBondContact CG1-O 3.41Å; L81-I166 WeakPolarHBondContact CD2-O 3.31Å; L99-I166 HydrophobicContact CD2-CB 4.42Å; L99-I166 HydrophobicContact CD2-CD1 3.79Å; L99-I166 HydrophobicContact CD2-CG2 4.28Å; V137-I166 HydrophobicContact CG1-CD1 4.04Å; V137-I166 HydrophobicContact CG1-CG1 3.9Å; V137-I166 HydrophobicContact CG2-CD1 3.93Å; V137-I166 HydrophobicContact CG2-CG1 4.36Å; L139-I166 HydrophobicContact CB-CD1 3.87Å; I166-V169 HydrophobicContact CG2-CG2 3.65Å; I166-V179 HydrophobicContact CG2-CG1 3.93Å; I166-W181 HydrophobicContact CD1-CE3 4.14Å; I166-W181 HydrophobicContact CD1-CH2 3.45Å; I166-W181 VanDerWaalsContact CD1-CH2 3.45Å; I166-W181 HydrophobicContact CD1-CZ2 4.14Å; I166-W181 HydrophobicContact CD1-CZ3 3.44Å; I166-W181 VanDerWaalsContact CD1-CZ3 3.44Å; I166-W181 HydrophobicContact CG1-CD2 4.18Å; I166-W181 HydrophobicContact CG1-CE3 3.54Å; I166-W181 HydrophobicContact CG1-CH2 3.84Å; I166-W181 HydrophobicContact CG1-CZ2 4.42Å; I166-W181 HydrophobicContact CG1-CZ3 3.34Å
167	S	89.8	Confident	87.9	Confident	11 Å²	11	46 Å²	46	8%	0.077	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-12.4	-172.4	58.4	0	0	0	0	114	R180 Q217	S167-R180 PolarHBondContact N-O 2.95Å; S167-R180 WeakPolarHBondContact OG-CD 3.38Å; S167-R180 WeakPolarHBondContact OG-CG 3.45Å; S167-R180 PolarHBondContact OG-O 2.82Å; S167-R180 VanDerWaalsContact OG-O 3.11Å; S167-Q217 VanDerWaalsContact O-CD 3.29Å; S167-Q217 PolarHBondContact O-NE2 3.05Å
168	M	90.5	Very high	88.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	137.8	177.9	-177.4	-89.7	-71.7	0	0	110.4	V179 R180 L191 L219 P220	M168-V179 WeakPolarHBondContact O-CA 3.43Å; M168-R180 HydrophobicContact CB-CB 3.88Å; M168-R180 HydrophobicContact CE-CB 4.23Å; M168-R180 PolarHBondContact O-N 3.43Å; M168-L191 HydrophobicContact CE-CD1 3.78Å; M168-L219 HydrophobicContact CG-CD2 3.63Å; M168-L219 HydrophobicContact SD-CD2 4.06Å; M168-P220 HydrophobicContact CE-CG 3.71Å
169	V	92.8	Very high	88.9	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.3	169.6	-177.8	0	0	0	0	107.7	W88 L139 I166 L177 A178 V179	W88-V169 HydrophobicContact CD2-CB 3.85Å; W88-V169 HydrophobicContact CD2-CG1 4.02Å; W88-V169 HydrophobicContact CE3-CB 3.79Å; W88-V169 HydrophobicContact CE3-CG1 3.77Å; W88-V169 HydrophobicContact CE3-CG2 4.23Å; W88-V169 HydrophobicContact CH2-CB 3.91Å; W88-V169 HydrophobicContact CH2-CG2 3.76Å; W88-V169 HydrophobicContact CZ2-CB 3.98Å; W88-V169 HydrophobicContact CZ2-CG2 4.24Å; W88-V169 HydrophobicContact CZ3-CB 3.81Å; W88-V169 HydrophobicContact CZ3-CG1 4.14Å; W88-V169 HydrophobicContact CZ3-CG2 3.75Å; L139-V169 HydrophobicContact CD1-CG1 4.34Å; L139-V169 HydrophobicContact CD1-CG2 4.21Å; L139-V169 HydrophobicContact CD2-CG1 4.35Å; L139-V169 HydrophobicContact CD2-CG2 4.22Å; I166-V169 HydrophobicContact CG2-CG2 3.65Å; V169-L177 HydrophobicContact CG1-CD2 4Å; V169-A178 WeakPolarHBondContact CA-O 3.44Å; V169-V179 HydrophobicContact CG2-CG1 4.41Å
170	S	91.6	Very high	89.4	Confident	28 Å²	28	39 Å²	39	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	139.6	178.5	-175.4	0	0	0	0	111.3	L177 A178	S170-L177 CarbonylContact O-C 3.55Å; S170-L177 WeakPolarHBondContact O-CA 3.43Å; S170-A178 PolarHBondContact N-O 2.81Å; S170-A178 PolarHBondContact O-N 2.92Å
171	W	92.8	Very high	90	Very high	24 Å²	24	32.6 Å²	32.6	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.4	175.9	-72	94.7	0	0	0	111	W88 W89 R95 A97 V141 S174 L177 A196	W88-W171 PolarHBondContact O-NE1 3.48Å; W89-W171 VanDerWaalsContact C-CD1 3.48Å; W89-W171 PolarHBondContact O-NE1 3.2Å; R95-W171 HydrophobicContact CB-CH2 3.61Å; R95-W171 HydrophobicContact CB-CZ2 3.99Å; R95-W171 HydrophobicContact CG-CH2 4.43Å; A97-W171 HydrophobicContact CB-CZ2 3.84Å; V141-W171 HydrophobicContact CG1-CH2 3.9Å; V141-W171 HydrophobicContact CG1-CZ2 4.3Å; W171-S174 WeakPolarHBondContact CZ3-O 3.48Å; W171-L177 HydrophobicContact CB-CD2 4.42Å; W171-L177 HydrophobicContact CD2-CD2 3.26Å; W171-L177 HydrophobicContact CD2-CG 3.86Å; W171-L177 VanDerWaalsContact CE2-CD2 3.42Å; W171-L177 HydrophobicContact CE3-CD1 4.34Å; W171-L177 HydrophobicContact CE3-CD2 3.59Å; W171-L177 HydrophobicContact CE3-CG 3.61Å; W171-L177 HydrophobicContact CG-CD2 3.62Å; W171-L177 HydrophobicContact CH2-CD1 3.93Å; W171-L177 HydrophobicContact CH2-CD2 4.24Å; W171-L177 HydrophobicContact CH2-CG 4.11Å; W171-L177 HydrophobicContact CZ2-CD1 4.18Å; W171-L177 HydrophobicContact CZ2-CD2 3.94Å; W171-L177 HydrophobicContact CZ2-CG 4.3Å; W171-L177 HydrophobicContact CZ3-CD1 4.02Å; W171-L177 HydrophobicContact CZ3-CD2 4.08Å; W171-L177 HydrophobicContact CZ3-CG 3.76Å; W171-A196 HydrophobicContact CH2-CB 4.11Å; W171-A196 HydrophobicContact CZ3-CB 4.07Å
172	I	90.4	Very high	90.6	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	-92.3	-40.7	173.6	-56	174.5	0	0	0	110	M91 R176 A178 V193 F222	M91-I172 VanDerWaalsContact CE-C 3.45Å; M91-I172 WeakPolarHBondContact CE-O 3.42Å; I172-R176 HydrophobicContact CB-CB 4.14Å; I172-R176 HydrophobicContact CD1-CB 4.48Å; I172-R176 PolarHBondContact N-O 3.41Å; I172-A178 HydrophobicContact CD1-CB 4.05Å; I172-A178 HydrophobicContact CG1-CB 4.09Å; I172-V193 HydrophobicContact CD1-CB 4.41Å; I172-V193 HydrophobicContact CD1-CG1 3.81Å; I172-V193 HydrophobicContact CD1-CG2 3.77Å; I172-F222 HydrophobicContact CB-CG 4.31Å; I172-F222 HydrophobicContact CD1-CD1 3.75Å; I172-F222 HydrophobicContact CD1-CD2 4.39Å; I172-F222 HydrophobicContact CD1-CE1 3.49Å; I172-F222 VanDerWaalsContact CD1-CE1 3.49Å; I172-F222 HydrophobicContact CD1-CE2 4.12Å; I172-F222 HydrophobicContact CD1-CG 4.22Å; I172-F222 HydrophobicContact CD1-CZ 3.71Å; I172-F222 HydrophobicContact CG1-CD1 3.87Å; I172-F222 HydrophobicContact CG1-CD2 3.73Å; I172-F222 HydrophobicContact CG1-CE1 3.93Å; I172-F222 HydrophobicContact CG1-CE2 3.74Å; I172-F222 HydrophobicContact CG1-CG 3.8Å; I172-F222 HydrophobicContact CG1-CZ 3.88Å; I172-F222 HydrophobicContact CG2-CB 3.82Å; I172-F222 HydrophobicContact CG2-CD1 3.95Å; I172-F222 HydrophobicContact CG2-CG 3.85Å
173	S	90.1	Very high	91	Very high	37 Å²	37	21.2 Å²	21.2	26%	0.259	11%	0.111	S	C	.	.	S	Bend	trans	-144.7	-175.5	176.9	73.2	0	0	0	0	108.8	T175 R176	S173-T175 PolarHBondContact O-N 3.4Å; S173-T175 VanDerWaalsContact O-N 3.16Å; S173-T175 PolarHBondContact OG-N 3.49Å; S173-R176 PolarHBondContact N-O 3.36Å; S173-R176 PolarHBondContact OG-N 2.97Å
174	S	90.8	Very high	91.2	Very high	37 Å²	37	17.8 Å²	17.8	26%	0.259	9%	0.094	S	C	.	.	S	Bend	trans	-62	-17	171.5	-57.9	0	0	0	0	114.5	D92 R95 W171	D92-S174 WeakPolarHBondContact OD2-CB 3.43Å; D92-S174 PolarHBondContact OD2-OG 3.34Å; R95-S174 WeakPolarHBondContact CD-O 3.43Å; W171-S174 WeakPolarHBondContact CZ3-O 3.48Å
175	T	91.7	Very high	91.1	Very high	47 Å²	47	18 Å²	18	29%	0.288	10%	0.099	S	C	.	.	S	Bend	trans	-125.4	-13.2	-175.7	75.8	0	0	0	0	114.1	S173 E195 A196 T197	S173-T175 PolarHBondContact O-N 3.4Å; S173-T175 VanDerWaalsContact O-N 3.16Å; S173-T175 PolarHBondContact OG-N 3.49Å; T175-E195 WeakPolarHBondContact CB-OE1 3.46Å; T175-E195 PolarHBondContact OG1-OE1 3.47Å; T175-A196 WeakPolarHBondContact O-CB 3.39Å; T175-A196 PolarHBondContact O-N 2.86Å; T175-T197 HydrophobicContact CG2-CG2 4.36Å
176	R	92.3	Very high	90.7	Very high	102 Å²	102	18.5 Å²	18.5	39%	0.385	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.9	-179.5	-64.5	-175.5	-166.7	159.6	9	112.2	I172 S173 V193 C194 E195	I172-R176 HydrophobicContact CB-CB 4.14Å; I172-R176 HydrophobicContact CD1-CB 4.48Å; I172-R176 PolarHBondContact N-O 3.41Å; S173-R176 PolarHBondContact N-O 3.36Å; S173-R176 PolarHBondContact OG-N 2.97Å; R176-V193 HydrophobicContact CB-CG1 4.43Å; R176-C194 WeakPolarHBondContact CA-O 3.48Å; R176-E195 WeakPolarHBondContact CG-OE2 3.27Å; R176-E195 IonicContact NE-OE2 2.84Å; R176-E195 PolarHBondContact NE-OE2 2.88Å
177	L	93	Very high	90.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.2	179.7	-74.6	154.9	0	0	0	110.3	A97 V141 V169 S170 W171 V179 V193 C194 A196	A97-L177 HydrophobicContact CB-CD1 4.28Å; A97-L177 HydrophobicContact CB-CD2 4.23Å; V141-L177 HydrophobicContact CG2-CD1 3.47Å; V141-L177 VanDerWaalsContact CG2-CD1 3.47Å; V169-L177 HydrophobicContact CG1-CD2 4Å; S170-L177 CarbonylContact O-C 3.55Å; S170-L177 WeakPolarHBondContact O-CA 3.43Å; W171-L177 HydrophobicContact CB-CD2 4.42Å; W171-L177 HydrophobicContact CD2-CD2 3.26Å; W171-L177 HydrophobicContact CD2-CG 3.86Å; W171-L177 VanDerWaalsContact CE2-CD2 3.42Å; W171-L177 HydrophobicContact CE3-CD1 4.34Å; W171-L177 HydrophobicContact CE3-CD2 3.59Å; W171-L177 HydrophobicContact CE3-CG 3.61Å; W171-L177 HydrophobicContact CG-CD2 3.62Å; W171-L177 HydrophobicContact CH2-CD1 3.93Å; W171-L177 HydrophobicContact CH2-CD2 4.24Å; W171-L177 HydrophobicContact CH2-CG 4.11Å; W171-L177 HydrophobicContact CZ2-CD1 4.18Å; W171-L177 HydrophobicContact CZ2-CD2 3.94Å; W171-L177 HydrophobicContact CZ2-CG 4.3Å; W171-L177 HydrophobicContact CZ3-CD1 4.02Å; W171-L177 HydrophobicContact CZ3-CD2 4.08Å; W171-L177 HydrophobicContact CZ3-CG 3.76Å; L177-V179 HydrophobicContact CB-CG2 4.41Å; L177-V193 CarbonylContact O-C 3.56Å; L177-V193 VanDerWaalsContact O-CA 3.29Å; L177-V193 WeakPolarHBondContact O-CA 3.29Å; L177-C194 HydrophobicContact CB-CB 4.42Å; L177-C194 PolarHBondContact N-O 3.22Å; L177-C194 PolarHBondContact O-N 2.94Å; L177-A196 HydrophobicContact CD1-CB 4.3Å
178	A	91.4	Very high	89.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.7	163.5	0	0	0	0	0	109.2	V169 S170 I172 L191 C192 F222	V169-A178 WeakPolarHBondContact CA-O 3.44Å; S170-A178 PolarHBondContact N-O 2.81Å; S170-A178 PolarHBondContact O-N 2.92Å; I172-A178 HydrophobicContact CD1-CB 4.05Å; I172-A178 HydrophobicContact CG1-CB 4.09Å; A178-L191 HydrophobicContact CB-CD1 4.46Å; A178-C192 WeakPolarHBondContact CA-O 3.42Å; A178-F222 HydrophobicContact CB-CE2 3.55Å; A178-F222 HydrophobicContact CB-CZ 3.42Å; A178-F222 VanDerWaalsContact CB-CZ 3.42Å
179	V	92.3	Very high	89.5	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.9	-179.2	-173.2	0	0	0	0	109.4	L139 I166 M168 V169 L177 W181 C192	L139-V179 HydrophobicContact CD2-CB 4.45Å; L139-V179 HydrophobicContact CD2-CG1 4.08Å; L139-V179 HydrophobicContact CD2-CG2 3.47Å; L139-V179 VanDerWaalsContact CD2-CG2 3.47Å; I166-V179 HydrophobicContact CG2-CG1 3.93Å; M168-V179 WeakPolarHBondContact O-CA 3.43Å; V169-V179 HydrophobicContact CG2-CG1 4.41Å; L177-V179 HydrophobicContact CB-CG2 4.41Å; V179-W181 HydrophobicContact CG1-CD2 4.36Å; V179-W181 HydrophobicContact CG1-CZ2 4.05Å; V179-C192 PolarHBondContact N-O 2Å; V179-C192 PolarHBondContact O-N 3.45Å
180	R	90.6	Very high	89.2	Confident	7 Å²	7	24.9 Å²	24.9	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110	175	-170.3	-177.7	-66.9	144.6	3.9	110.5	S167 M168 L191 D218	S167-R180 PolarHBondContact N-O 2.95Å; S167-R180 WeakPolarHBondContact OG-CD 3.38Å; S167-R180 WeakPolarHBondContact OG-CG 3.45Å; S167-R180 PolarHBondContact OG-O 2.82Å; S167-R180 VanDerWaalsContact OG-O 3.11Å; M168-R180 HydrophobicContact CB-CB 3.88Å; M168-R180 HydrophobicContact CE-CB 4.23Å; M168-R180 PolarHBondContact O-N 3.43Å; R180-L191 HydrophobicContact CB-CD1 4.42Å; R180-D218 PolarHBondContact NH1-O 3.45Å; R180-D218 PolarHBondContact NH2-O 3.19Å
181	W	90.4	Very high	89	Confident	3 Å²	3	23.9 Å²	23.9	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.6	173.9	-58.6	88	0	0	0	110.2	P155 P156 L159 I166 V179 S189 V190	P155-W181 HydrophobicContact CB-CD2 4.31Å; P155-W181 HydrophobicContact CB-CE3 4.07Å; P155-W181 HydrophobicContact CB-CH2 3.83Å; P155-W181 HydrophobicContact CB-CZ2 4.08Å; P155-W181 HydrophobicContact CB-CZ3 3.82Å; P156-W181 HydrophobicContact CG-CB 4.45Å; P156-W181 HydrophobicContact CG-CG 4.19Å; L159-W181 HydrophobicContact CD1-CB 3.53Å; I166-W181 HydrophobicContact CD1-CE3 4.14Å; I166-W181 HydrophobicContact CD1-CH2 3.45Å; I166-W181 VanDerWaalsContact CD1-CH2 3.45Å; I166-W181 HydrophobicContact CD1-CZ2 4.14Å; I166-W181 HydrophobicContact CD1-CZ3 3.44Å; I166-W181 VanDerWaalsContact CD1-CZ3 3.44Å; I166-W181 HydrophobicContact CG1-CD2 4.18Å; I166-W181 HydrophobicContact CG1-CE3 3.54Å; I166-W181 HydrophobicContact CG1-CH2 3.84Å; I166-W181 HydrophobicContact CG1-CZ2 4.42Å; I166-W181 HydrophobicContact CG1-CZ3 3.34Å; V179-W181 HydrophobicContact CG1-CD2 4.36Å; V179-W181 HydrophobicContact CG1-CZ2 4.05Å; W181-S189 CarbonylContact O-C 3.59Å; W181-S189 WeakPolarHBondContact O-CA 3.47Å; W181-V190 PolarHBondContact N-O 2.88Å; W181-V190 PolarHBondContact O-N 3.1Å
182	L	88	Confident	88.7	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.4	-179.4	-176.8	65.1	0	0	0	109	N164 Y165 Q186 M209	N164-L182 CarbonylContact C-O 3.6Å; N164-L182 WeakPolarHBondContact CA-O 3.46Å; N164-L182 VanDerWaalsContact CB-O 3.24Å; N164-L182 WeakPolarHBondContact CB-O 2.97Å; Y165-L182 HydrophobicContact CD2-CD2 4.47Å; Y165-L182 PolarHBondContact N-O 2.96Å; Y165-L182 PolarHBondContact O-N 3.01Å; L182-Q186 HydrophobicContact CD1-CB 4.36Å; L182-Q186 HydrophobicContact CD2-CB 4.14Å; L182-Q186 HydrophobicContact CD2-CG 3.62Å; L182-Q186 HydrophobicContact CG-CB 4.35Å; L182-Q186 HydrophobicContact CG-CG 4.03Å; L182-M209 HydrophobicContact CD1-CE 3.93Å; L182-M209 HydrophobicContact CD1-CG 4.18Å; L182-M209 HydrophobicContact CD1-SD 3.56Å; L182-M209 VanDerWaalsContact CD1-SD 3.56Å; L182-M209 HydrophobicContact CD2-CE 3.66Å; L182-M209 HydrophobicContact CD2-SD 4.09Å; L182-M209 HydrophobicContact CG-CE 4.48Å; L182-M209 HydrophobicContact CG-SD 4.45Å
183	N	89.8	Confident	88.7	Confident	12 Å²	12	22.6 Å²	22.6	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	157.7	173.1	68.8	-23.5	0	0	0	111.5	L159 A185 Q186 N187 Q188	L159-N183 HydrophobicContact CD2-CB 3.9Å; N183-A185 PolarHBondContact O-N 2.8Å; N183-A185 VanDerWaalsContact O-N 3.16Å; N183-Q186 WeakPolarHBondContact O-CA 3.32Å; N183-Q186 PolarHBondContact O-N 3.01Å; N183-Q186 PolarHBondContact OD1-N 3.35Å; N183-Q186 VanDerWaalsContact OD1-N 3.15Å; N183-N187 PolarHBondContact ND2-OD1 3.08Å; N183-N187 PolarHBondContact OD1-N 2.82Å; N183-N187 PolarHBondContact OD1-OD1 3.19Å; N183-Q188 PolarHBondContact N-O 2.8Å; N183-Q188 PolarHBondContact OD1-N 2.91Å; N183-Q188 VanDerWaalsContact OD1-N 3.09Å; N183-Q188 PolarHBondContact OD1-O 3.01Å
184	R	90.9	Very high	88.9	Confident	19 Å²	19	20.9 Å²	20.9	7%	0.072	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.5	179	177.8	174.5	173.6	169.5	2.2	114.2	S132 I134 E163 Q186 E531 F536	S132-R184 PolarHBondContact O-NH1 3.38Å; S132-R184 PolarHBondContact O-NH2 2.95Å; I134-R184 HydrophobicContact CD1-CB 4.36Å; I134-R184 HydrophobicContact CD1-CG 4.17Å; E163-R184 HydrophobicContact CB-CB 3.93Å; E163-R184 PolarHBondContact O-N 3.46Å; E163-R184 IonicContact OE1-NH1 2.63Å; E163-R184 PolarHBondContact OE1-NH1 3.32Å; E163-R184 WeakPolarHBondContact OE2-CD 3.48Å; E163-R184 IonicContact OE2-CZ 3.13Å; E163-R184 IonicContact OE2-NE 3.45Å; E163-R184 IonicContact OE2-NH1 3.25Å; E163-R184 PolarHBondContact OE2-NH1 2.86Å; R184-Q186 PolarHBondContact O-N 2.91Å; R184-E531 WeakPolarHBondContact CG-OE2 3.39Å; R184-E531 IonicContact CZ-OE1 3.73Å; R184-E531 IonicContact CZ-OE2 2.74Å; R184-E531 IonicContact NE-OE1 3.14Å; R184-E531 IonicContact NE-OE2 3.24Å; R184-E531 PolarHBondContact NE-OE2 2.9Å; R184-E531 IonicContact NH2-OE1 3.26Å; R184-E531 PolarHBondContact NH2-OE1 3.23Å; R184-E531 IonicContact NH2-OE2 3.57Å; R184-E531 PolarHBondContact NH2-OE2 3.15Å; R184-F536 HydrophobicContact CG-CE1 4.14Å; R184-F536 HydrophobicContact CG-CZ 4.16Å
185	A	87.4	Confident	89	Confident	29 Å²	29	21.3 Å²	21.3	24%	0.24	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10	178.2	0	0	0	0	0	113.8	N183 N187 F536	N183-A185 PolarHBondContact O-N 2.8Å; N183-A185 VanDerWaalsContact O-N 3.16Å; A185-N187 VanDerWaalsContact C-N 3.26Å; A185-N187 PolarHBondContact O-N 2.84Å; A185-F536 HydrophobicContact CB-CE2 3.96Å; A185-F536 HydrophobicContact CB-CZ 4.28Å
186	Q	85.7	Confident	89.1	Confident	11 Å²	11	19 Å²	19	5%	0.051	9%	0.093	C	C	.	.	S	Bend	trans	53.5	40.1	178.4	-56.4	-175.7	53.6	0	0	113.8	Y165 L182 N183 R184 M209 A528 R532	Y165-Q186 HydrophobicContact CD2-CG 4.47Å; Y165-Q186 HydrophobicContact CE2-CG 4.38Å; L182-Q186 HydrophobicContact CD1-CB 4.36Å; L182-Q186 HydrophobicContact CD2-CB 4.14Å; L182-Q186 HydrophobicContact CD2-CG 3.62Å; L182-Q186 HydrophobicContact CG-CB 4.35Å; L182-Q186 HydrophobicContact CG-CG 4.03Å; N183-Q186 WeakPolarHBondContact O-CA 3.32Å; N183-Q186 PolarHBondContact O-N 3.01Å; N183-Q186 PolarHBondContact OD1-N 3.35Å; N183-Q186 VanDerWaalsContact OD1-N 3.15Å; R184-Q186 PolarHBondContact O-N 2.91Å; Q186-M209 HydrophobicContact CB-SD 3.73Å; Q186-M209 WeakPolarHBondContact O-CB 3.32Å; Q186-A528 PolarHBondContact NE2-O 3.18Å; Q186-R532 HydrophobicContact CB-CG 4.48Å
187	N	80.8	Confident	89	Confident	93 Å²	93	17.4 Å²	17.4	50%	0.497	9%	0.094	S	C	.	.	S	Bend	trans	-114.6	-10.5	175.5	67.2	8.9	0	0	0	112.7	N183 A185 M209	N183-N187 PolarHBondContact ND2-OD1 3.08Å; N183-N187 PolarHBondContact OD1-N 2.82Å; N183-N187 PolarHBondContact OD1-OD1 3.19Å; A185-N187 VanDerWaalsContact C-N 3.26Å; A185-N187 PolarHBondContact O-N 2.84Å; N187-M209 PolarHBondContact O-N 2.69Å
188	Q	83	Confident	88.9	Confident	53 Å²	53	21.8 Å²	21.8	25%	0.248	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.1	179	-175.5	-177	-14.1	0	0	110	N183	N183-Q188 PolarHBondContact N-O 2.8Å; N183-Q188 PolarHBondContact OD1-N 2.91Å; N183-Q188 VanDerWaalsContact OD1-N 3.09Å; N183-Q188 PolarHBondContact OD1-O 3.01Å
189	S	84.6	Confident	88.9	Confident	2 Å²	2	22 Å²	22	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.3	169.5	69.8	0	0	0	0	111.5	W181 M207	W181-S189 CarbonylContact O-C 3.59Å; W181-S189 WeakPolarHBondContact O-CA 3.47Å; S189-M207 PolarHBondContact N-O 2.68Å; S189-M207 PolarHBondContact O-N 3.13Å; S189-M207 WeakPolarHBondContact OG-CB 3.28Å
190	V	85.9	Confident	88.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.7	-179.9	-172.7	0	0	0	0	108.4	P156 L159 W181 E203 H205 K206	P156-V190 HydrophobicContact CG-CB 4.44Å; P156-V190 HydrophobicContact CG-CG1 4.27Å; L159-V190 HydrophobicContact CD1-CB 4.33Å; L159-V190 HydrophobicContact CD1-CG2 3.92Å; W181-V190 PolarHBondContact N-O 2.88Å; W181-V190 PolarHBondContact O-N 3.1Å; V190-E203 HydrophobicContact CG1-CB 4.29Å; V190-E203 HydrophobicContact CG1-CG 3.91Å; V190-H205 WeakPolarHBondContact CA-O 3.47Å; V190-K206 HydrophobicContact CG1-CG 4.35Å; V190-K206 HydrophobicContact CG2-CG 4.22Å
191	L	86.1	Confident	88.7	Confident	6 Å²	6	26 Å²	26	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.3	170.8	-174.4	68.3	0	0	0	108.9	M168 A178 R180 K204 H205 F229	M168-L191 HydrophobicContact CE-CD1 3.78Å; A178-L191 HydrophobicContact CB-CD1 4.46Å; R180-L191 HydrophobicContact CB-CD1 4.42Å; L191-K204 PolarHBondContact O-N 3.01Å; L191-H205 HydrophobicContact CB-CB 4.34Å; L191-H205 PolarHBondContact N-O 2.92Å; L191-H205 PolarHBondContact O-N 2.91Å; L191-F229 HydrophobicContact CD2-CD2 4.29Å; L191-F229 HydrophobicContact CD2-CE1 4.17Å; L191-F229 HydrophobicContact CD2-CE2 3.56Å; L191-F229 HydrophobicContact CD2-CZ 3.49Å; L191-F229 VanDerWaalsContact CD2-CZ 3.49Å
192	C	88.3	Confident	88.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.8	177.2	-67.3	0	0	0	0	110.4	A178 V179 C201 S202	A178-C192 WeakPolarHBondContact CA-O 3.42Å; V179-C192 PolarHBondContact N-O 2Å; V179-C192 PolarHBondContact O-N 3.45Å; C192-C201 HydrophobicContact CB-CB 4.42Å; C192-S202 VanDerWaalsContact CA-O 3.31Å; C192-S202 WeakPolarHBondContact CA-O 3.25Å
193	V	90.4	Very high	88.4	Confident	12 Å²	12	31.3 Å²	31.3	7%	0.073	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.9	164.3	175	0	0	0	0	108.4	I172 R176 L177 S202 K204 V251	I172-V193 HydrophobicContact CD1-CB 4.41Å; I172-V193 HydrophobicContact CD1-CG1 3.81Å; I172-V193 HydrophobicContact CD1-CG2 3.77Å; R176-V193 HydrophobicContact CB-CG1 4.43Å; L177-V193 CarbonylContact O-C 3.56Å; L177-V193 VanDerWaalsContact O-CA 3.29Å; L177-V193 WeakPolarHBondContact O-CA 3.29Å; V193-S202 PolarHBondContact N-O 3.31Å; V193-S202 PolarHBondContact O-N 2.88Å; V193-S202 PolarHBondContact O-OG 3.16Å; V193-S202 VanDerWaalsContact O-OG 3.13Å; V193-K204 HydrophobicContact CB-CG 4.05Å; V193-K204 HydrophobicContact CG2-CG 3.64Å; V193-V251 HydrophobicContact CG2-CG1 4.04Å
194	C	92.4	Very high	87.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.2	-176.1	-56.8	0	0	0	0	110.9	M153 R176 L177 A200 C201	M153-C194 HydrophobicContact CB-CB 4.48Å; M153-C194 HydrophobicContact CG-CB 4.37Å; M153-C194 HydrophobicContact SD-CB 3.83Å; R176-C194 WeakPolarHBondContact CA-O 3.48Å; L177-C194 HydrophobicContact CB-CB 4.42Å; L177-C194 PolarHBondContact N-O 3.22Å; L177-C194 PolarHBondContact O-N 2.94Å; C194-A200 CarbonylContact C-O 3.53Å; C194-A200 WeakPolarHBondContact CA-O 3.38Å; C194-C201 HydrophobicContact CB-CB 4.12Å; C194-C201 WeakPolarHBondContact CB-SG 3.43Å; C194-C201 WeakPolarHBondContact SG-CB 3.31Å; C194-C201 CovalentContact SG-SG 2.04Å; C194-C201 PolarHBondContact SG-SG 3.19Å
195	E	93.4	Very high	87.2	Confident	45 Å²	45	33.9 Å²	33.9	21%	0.21	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.8	175.1	-175.8	67.2	-126.2	0	0	109.4	T175 R176 T197 T198 G199 A200	T175-E195 WeakPolarHBondContact CB-OE1 3.46Å; T175-E195 PolarHBondContact OG1-OE1 3.47Å; R176-E195 WeakPolarHBondContact CG-OE2 3.27Å; R176-E195 IonicContact NE-OE2 2.84Å; R176-E195 PolarHBondContact NE-OE2 2.88Å; E195-T197 VanDerWaalsContact CG-OG1 3.28Å; E195-T197 WeakPolarHBondContact CG-OG1 3.37Å; E195-T197 PolarHBondContact O-N 3.22Å; E195-T197 VanDerWaalsContact O-N 3.12Å; E195-T197 PolarHBondContact OE1-OG1 3.09Å; E195-T198 PolarHBondContact O-N 3.45Å; E195-T198 VanDerWaalsContact O-N 3.15Å; E195-G199 PolarHBondContact O-N 2.98Å; E195-A200 PolarHBondContact N-O 2.81Å
196	A	93.4	Very high	86.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.4	-174.9	0	0	0	0	0	114.1	R95 V141 W171 T175 L177	R95-A196 PolarHBondContact NH1-O 3.02Å; R95-A196 VanDerWaalsContact NH1-O 3.12Å; V141-A196 HydrophobicContact CB-CB 4.44Å; V141-A196 HydrophobicContact CG1-CB 3.99Å; V141-A196 HydrophobicContact CG2-CB 4.35Å; W171-A196 HydrophobicContact CH2-CB 4.11Å; W171-A196 HydrophobicContact CZ3-CB 4.07Å; T175-A196 WeakPolarHBondContact O-CB 3.39Å; T175-A196 PolarHBondContact O-N 2.86Å; L177-A196 HydrophobicContact CD1-CB 4.3Å
197	T	90.9	Very high	86	Confident	67 Å²	67	38.3 Å²	38.3	41%	0.411	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-23	177	52.7	0	0	0	0	113.2	L151 T175 E195	L151-T197 VanDerWaalsContact CD1-O 3.3Å; L151-T197 WeakPolarHBondContact CD1-O 3.22Å; T175-T197 HydrophobicContact CG2-CG2 4.36Å; E195-T197 VanDerWaalsContact CG-OG1 3.28Å; E195-T197 WeakPolarHBondContact CG-OG1 3.37Å; E195-T197 PolarHBondContact O-N 3.22Å; E195-T197 VanDerWaalsContact O-N 3.12Å; E195-T197 PolarHBondContact OE1-OG1 3.09Å
198	T	91.2	Very high	85.2	Confident	92 Å²	92	38.1 Å²	38.1	56%	0.564	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-19.5	-175.1	61.1	0	0	0	0	113.7	E195 A200	E195-T198 PolarHBondContact O-N 3.45Å; E195-T198 VanDerWaalsContact O-N 3.15Å; T198-A200 PolarHBondContact O-N 3.06Å; T198-A200 WeakPolarHBondContact OG1-CB 3.45Å; T198-A200 PolarHBondContact OG1-N 3.16Å
199	G	90.6	Very high	83.9	Confident	5 Å²	5	36.9 Å²	36.9	5%	0.052	22%	0.219	C	C	.	.			trans	79.9	-0.8	-171.8	0	0	0	0	0	114.3	L154 E195 C201	L154-G199 PolarHBondContact N-O 2.87Å; E195-G199 PolarHBondContact O-N 2.98Å; G199-C201 PolarHBondContact O-N 2.87Å
200	A	89.9	Confident	82.4	Confident	59 Å²	59	38 Å²	38	49%	0.488	22%	0.224	S	C	.	.			trans	-74.9	123.3	-178.3	0	0	0	0	0	111.2	C194 E195 T198	C194-A200 CarbonylContact C-O 3.53Å; C194-A200 WeakPolarHBondContact CA-O 3.38Å; E195-A200 PolarHBondContact N-O 2.81Å; T198-A200 PolarHBondContact O-N 3.06Å; T198-A200 WeakPolarHBondContact OG1-CB 3.45Å; T198-A200 PolarHBondContact OG1-N 3.16Å
201	C	90.1	Very high	80.5	Confident	33 Å²	33	41.4 Å²	41.4	22%	0.223	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	173.8	-65.5	0	0	0	0	110.8	L154 C192 C194 G199	L154-C201 VanDerWaalsContact O-CB 3.3Å; L154-C201 WeakPolarHBondContact O-CB 3.48Å; L154-C201 PolarHBondContact O-SG 3.45Å; C192-C201 HydrophobicContact CB-CB 4.42Å; C194-C201 HydrophobicContact CB-CB 4.12Å; C194-C201 WeakPolarHBondContact CB-SG 3.43Å; C194-C201 WeakPolarHBondContact SG-CB 3.31Å; C194-C201 CovalentContact SG-SG 2.04Å; C194-C201 PolarHBondContact SG-SG 3.19Å; G199-C201 PolarHBondContact O-N 2.87Å
202	S	86.3	Confident	78.6	Confident	50 Å²	50	42.7 Å²	42.7	35%	0.35	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.1	177.7	56.6	0	0	0	0	110.9	C192 V193 K204	C192-S202 VanDerWaalsContact CA-O 3.31Å; C192-S202 WeakPolarHBondContact CA-O 3.25Å; V193-S202 PolarHBondContact N-O 3.31Å; V193-S202 PolarHBondContact O-N 2.88Å; V193-S202 PolarHBondContact O-OG 3.16Å; V193-S202 VanDerWaalsContact O-OG 3.13Å; S202-K204 PolarHBondContact O-N 3.43Å; S202-K204 WeakPolarHBondContact OG-CE 3.42Å; S202-K204 PolarHBondContact OG-NZ 3.01Å; S202-K204 VanDerWaalsContact OG-NZ 3.13Å
203	E	85.9	Confident	76.8	Confident	69 Å²	69	44.9 Å²	44.9	32%	0.322	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	124.9	174.9	-65.2	-172.7	171.8	0	0	109.6	P156 S158 V190 K206	P156-E203 HydrophobicContact CB-CG 3.6Å; P156-E203 VanDerWaalsContact CB-OE1 3.23Å; P156-E203 WeakPolarHBondContact CB-OE1 3.12Å; S158-E203 WeakPolarHBondContact CB-OE1 3.28Å; S158-E203 PolarHBondContact OG-OE1 3.04Å; V190-E203 HydrophobicContact CG1-CB 4.29Å; V190-E203 HydrophobicContact CG1-CG 3.91Å; E203-K206 IonicContact OE1-NZ 3.04Å; E203-K206 WeakPolarHBondContact OE2-CE 3.47Å; E203-K206 IonicContact OE2-NZ 3.08Å; E203-K206 PolarHBondContact OE2-NZ 3.45Å
204	K	78.6	Confident	74.7	Confident	36 Å²	36	45.7 Å²	45.7	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-42.6	178.9	-59.6	-46.2	-170.1	176.2	0	112.6	L191 V193 S202 V251	L191-K204 PolarHBondContact O-N 3.01Å; V193-K204 HydrophobicContact CB-CG 4.05Å; V193-K204 HydrophobicContact CG2-CG 3.64Å; S202-K204 PolarHBondContact O-N 3.43Å; S202-K204 WeakPolarHBondContact OG-CE 3.42Å; S202-K204 PolarHBondContact OG-NZ 3.01Å; S202-K204 VanDerWaalsContact OG-NZ 3.13Å; K204-V251 HydrophobicContact CD-CG1 4.22Å; K204-V251 WeakPolarHBondContact CD-O 3.33Å; K204-V251 WeakPolarHBondContact CE-O 3.25Å; K204-V251 HydrophobicContact CG-CG1 4.36Å; K204-V251 PolarHBondContact NZ-O 2.75Å
205	H	75.6	Confident	72.6	Confident	49 Å²	49	49.9 Å²	49.9	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	137	-176.1	-166.3	61.3	0	0	0	111.1	V190 L191 M207 F229	V190-H205 WeakPolarHBondContact CA-O 3.47Å; L191-H205 HydrophobicContact CB-CB 4.34Å; L191-H205 PolarHBondContact N-O 2.92Å; L191-H205 PolarHBondContact O-N 2.91Å; H205-M207 WeakPolarHBondContact CD2-CG 3.08Å; H205-M207 WeakPolarHBondContact NE2-CG 3.27Å; H205-F229 HydrophobicContact CB-CZ 4.5Å
206	K	77	Confident	70.8	Confident	103 Å²	103	55.8 Å²	55.8	45%	0.448	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.5	172.5	-67.4	-174.2	176	165.1	0	108.3	V190 E203	V190-K206 HydrophobicContact CG1-CG 4.35Å; V190-K206 HydrophobicContact CG2-CG 4.22Å; E203-K206 IonicContact OE1-NZ 3.04Å; E203-K206 WeakPolarHBondContact OE2-CE 3.47Å; E203-K206 IonicContact OE2-NZ 3.08Å; E203-K206 PolarHBondContact OE2-NZ 3.45Å
207	M	70.9	Confident	69.2	Low	30 Å²	30	58 Å²	58	15%	0.148	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	177.1	-57.4	170.4	57.8	0	0	108	S189 H205 M209 L233	S189-M207 PolarHBondContact N-O 2.68Å; S189-M207 PolarHBondContact O-N 3.13Å; S189-M207 WeakPolarHBondContact OG-CB 3.28Å; H205-M207 WeakPolarHBondContact CD2-CG 3.08Å; H205-M207 WeakPolarHBondContact NE2-CG 3.27Å; M207-M209 PolarHBondContact O-N 3.32Å; M207-L233 HydrophobicContact CE-CD2 3.13Å; M207-L233 HydrophobicContact SD-CD2 3.86Å
208	A	63.6	Low	68.1	Low	89 Å²	89	56.1 Å²	56.1	74%	0.736	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.9	154.9	0	0	0	0	0	106.3	D210	A208-D210 PolarHBondContact O-N 3.09Å
209	M	57.3	Low	67.7	Low	27 Å²	27	55.8 Å²	55.8	13%	0.133	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.6	131.7	-174.7	-157.6	-168.5	-168.1	0	0	109.5	L182 Q186 N187 M207 Q213	L182-M209 HydrophobicContact CD1-CE 3.93Å; L182-M209 HydrophobicContact CD1-CG 4.18Å; L182-M209 HydrophobicContact CD1-SD 3.56Å; L182-M209 VanDerWaalsContact CD1-SD 3.56Å; L182-M209 HydrophobicContact CD2-CE 3.66Å; L182-M209 HydrophobicContact CD2-SD 4.09Å; L182-M209 HydrophobicContact CG-CE 4.48Å; L182-M209 HydrophobicContact CG-SD 4.45Å; Q186-M209 HydrophobicContact CB-SD 3.73Å; Q186-M209 WeakPolarHBondContact O-CB 3.32Å; N187-M209 PolarHBondContact O-N 2.69Å; M207-M209 PolarHBondContact O-N 3.32Å; M209-Q213 HydrophobicContact CE-CB 4.12Å; M209-Q213 VanDerWaalsContact CE-OE1 3.31Å
210	D	51.4	Low	67.6	Low	25 Å²	25	55.8 Å²	55.8	13%	0.134	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.7	121.5	160.9	-172.1	-23.6	0	0	0	107.1	A208 M212 H244 Q452	A208-D210 PolarHBondContact O-N 3.09Å; D210-M212 PolarHBondContact O-N 3.14Å; D210-M212 WeakPolarHBondContact OD1-CB 3.18Å; D210-M212 WeakPolarHBondContact OD1-CG 3.19Å; D210-M212 PolarHBondContact OD1-N 3.36Å; D210-H244 IonicContact OD2-CE1 3.92Å; D210-H244 PolarHBondContact OD2-CE1 2.82Å; D210-H244 IonicContact OD2-NE2 3.91Å; D210-H244 PolarHBondContact OD2-NE2 2.95Å; D210-Q452 VanDerWaalsContact CG-NE2 3.27Å; D210-Q452 PolarHBondContact OD1-NE2 3.16Å; D210-Q452 PolarHBondContact OD1-OE1 3.41Å; D210-Q452 PolarHBondContact OD2-NE2 3.35Å
211	M	47.8	Very low	67.7	Low	72 Å²	72	54.7 Å²	54.7	36%	0.355	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	6	-174.5	-64.5	-164.8	170.3	0	0	114.2	P459	M211-P459 HydrophobicContact CE-CB 4.2Å; M211-P459 HydrophobicContact CE-CG 3.76Å; M211-P459 HydrophobicContact SD-CB 3.5Å; M211-P459 WeakPolarHBondContact SD-CB 3.46Å; M211-P459 HydrophobicContact SD-CG 3.68Å
212	M	46.4	Very low	67.7	Low	32 Å²	32	54.4 Å²	54.4	16%	0.158	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.3	-168.3	-65.8	-98.3	-112	0	0	114	D210 N214 G415 S446 Q452	D210-M212 PolarHBondContact O-N 3.14Å; D210-M212 WeakPolarHBondContact OD1-CB 3.18Å; D210-M212 WeakPolarHBondContact OD1-CG 3.19Å; D210-M212 PolarHBondContact OD1-N 3.36Å; M212-N214 PolarHBondContact O-N 2.96Å; M212-G415 VanDerWaalsContact SD-CA 3.58Å; M212-G415 PolarHBondContact SD-N 3.45Å; M212-G415 VanDerWaalsContact SD-N 3.38Å; M212-S446 WeakPolarHBondContact SD-CB 3.3Å; M212-Q452 HydrophobicContact CE-CG 4.01Å
213	Q	50.4	Low	67.9	Low	47 Å²	47	52.7 Å²	52.7	22%	0.22	26%	0.261	C	S	.	.			trans	-68.8	30.7	174.9	-104.6	170.9	1.4	0	0	114.6	M209	M209-Q213 HydrophobicContact CE-CB 4.12Å; M209-Q213 VanDerWaalsContact CE-OE1 3.31Å
214	N	45	Very low	67.9	Low	28 Å²	28	54 Å²	54	15%	0.15	28%	0.278	C	S	.	.			trans	-88.2	3.8	-175.1	-117.2	-0.2	0	0	0	114.4	M212 P414 R532	M212-N214 PolarHBondContact O-N 2.96Å; N214-P414 WeakPolarHBondContact CB-O 3.43Å; N214-P414 PolarHBondContact ND2-O 3.03Å; N214-R532 PolarHBondContact OD1-NH1 3.22Å; N214-R532 PolarHBondContact OD1-NH2 3.38Å; N214-R532 VanDerWaalsContact OD1-NH2 3.07Å
215	Q	49.1	Very low	68.1	Low	90 Å²	90	56.9 Å²	56.9	42%	0.421	30%	0.295	S	S	.	.	S	Bend	trans	-126.3	-12.7	-170	-71.5	-140.3	-46	0	0	118	G415 S416	Q215-G415 VanDerWaalsContact CG-O 3.27Å; Q215-G415 WeakPolarHBondContact CG-O 3.33Å; Q215-G415 PolarHBondContact OE1-O 3.19Å; Q215-S416 VanDerWaalsContact NE2-CA 3.3Å
216	R	54.3	Low	68.3	Low	169 Å²	169	54.7 Å²	54.7	64%	0.638	29%	0.286	S	S	*	.			trans	-178.5	148	166.3	-95.3	134.8	-161.2	-158.3	9.7	108.7	D218	R216-D218 PolarHBondContact O-N 3.19Å
217	Q	59.9	Low	68.6	Low	46 Å²	46	52 Å²	52	22%	0.215	28%	0.279	C	S	.	.			trans	-63.4	106.9	168.3	-71.8	179.6	-11.4	0	0	108.9	L81 S167 L219	L81-Q217 VanDerWaalsContact CA-NE2 3.32Å; L81-Q217 PolarHBondContact O-NE2 3.39Å; S167-Q217 VanDerWaalsContact O-CD 3.29Å; S167-Q217 PolarHBondContact O-NE2 3.05Å; Q217-L219 PolarHBondContact O-N 3.41Å
218	D	69.1	Low	69.4	Low	27 Å²	27	52.9 Å²	52.9	14%	0.144	28%	0.284	C	S	.	.			trans	-62.2	104.7	168.6	-71.7	-32.1	0	0	0	108.8	R180 R216 P220	R180-D218 PolarHBondContact NH1-O 3.45Å; R180-D218 PolarHBondContact NH2-O 3.19Å; R216-D218 PolarHBondContact O-N 3.19Å; D218-P220 WeakPolarHBondContact O-CD 3.46Å
219	L	82.9	Confident	70.7	Confident	85 Å²	85	48.8 Å²	48.8	45%	0.445	25%	0.249	S	C	.	.			trans	-85.3	115.9	175.6	-68.7	173.3	0	0	0	108.8	M168 Q217	M168-L219 HydrophobicContact CG-CD2 3.63Å; M168-L219 HydrophobicContact SD-CD2 4.06Å; Q217-L219 PolarHBondContact O-N 3.41Å
220	P	88.6	Confident	72.3	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.032	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-65.8	143	174	25	-30.9	0	0	0	110.7	M168 D218 F222 F229 Y230	M168-P220 HydrophobicContact CE-CG 3.71Å; D218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-F222 HydrophobicContact CB-CE2 4.03Å; P220-F222 HydrophobicContact CB-CZ 4.33Å; P220-F222 HydrophobicContact CG-CE2 3.63Å; P220-F222 HydrophobicContact CG-CZ 3.99Å; P220-F229 HydrophobicContact CB-CD2 3.8Å; P220-Y230 CarbonylContact C-O 3.5Å; P220-Y230 VanDerWaalsContact CA-O 3.22Å; P220-Y230 WeakPolarHBondContact CA-O 3.32Å
221	L	91.4	Very high	74.1	Confident	36 Å²	36	47.7 Å²	47.7	19%	0.188	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	173.1	-61.2	-178.6	0	0	0	109	F229 Y230 L273 L276	L221-F229 CarbonylContact O-C 3.57Å; L221-F229 VanDerWaalsContact O-CA 3.3Å; L221-F229 WeakPolarHBondContact O-CA 3.4Å; L221-Y230 PolarHBondContact N-O 3Å; L221-Y230 PolarHBondContact O-N 2.85Å; L221-L273 HydrophobicContact CD1-CB 3.72Å; L221-L273 HydrophobicContact CD1-CD1 4.43Å; L221-L273 HydrophobicContact CG-CB 4Å; L221-L273 HydrophobicContact CG-CD1 4.27Å; L221-L276 HydrophobicContact CB-CB 4.2Å; L221-L276 HydrophobicContact CD1-CB 4.05Å
222	F	90.4	Very high	76.1	Confident	27 Å²	27	44.6 Å²	44.6	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.7	178.4	-69	-92.7	0	0	0	111.2	I172 A178 P220 F229 V251 L276	I172-F222 HydrophobicContact CB-CG 4.31Å; I172-F222 HydrophobicContact CD1-CD1 3.75Å; I172-F222 HydrophobicContact CD1-CD2 4.39Å; I172-F222 HydrophobicContact CD1-CE1 3.49Å; I172-F222 VanDerWaalsContact CD1-CE1 3.49Å; I172-F222 HydrophobicContact CD1-CE2 4.12Å; I172-F222 HydrophobicContact CD1-CG 4.22Å; I172-F222 HydrophobicContact CD1-CZ 3.71Å; I172-F222 HydrophobicContact CG1-CD1 3.87Å; I172-F222 HydrophobicContact CG1-CD2 3.73Å; I172-F222 HydrophobicContact CG1-CE1 3.93Å; I172-F222 HydrophobicContact CG1-CE2 3.74Å; I172-F222 HydrophobicContact CG1-CG 3.8Å; I172-F222 HydrophobicContact CG1-CZ 3.88Å; I172-F222 HydrophobicContact CG2-CB 3.82Å; I172-F222 HydrophobicContact CG2-CD1 3.95Å; I172-F222 HydrophobicContact CG2-CG 3.85Å; A178-F222 HydrophobicContact CB-CE2 3.55Å; A178-F222 HydrophobicContact CB-CZ 3.42Å; A178-F222 VanDerWaalsContact CB-CZ 3.42Å; P220-F222 HydrophobicContact CB-CE2 4.03Å; P220-F222 HydrophobicContact CB-CZ 4.33Å; P220-F222 HydrophobicContact CG-CE2 3.63Å; P220-F222 HydrophobicContact CG-CZ 3.99Å; F222-F229 HydrophobicContact CD1-CB 3.44Å; F222-F229 VanDerWaalsContact CD1-CB 3.44Å; F222-F229 HydrophobicContact CD1-CG 4.33Å; F222-F229 HydrophobicContact CE1-CB 3.48Å; F222-F229 VanDerWaalsContact CE1-CB 3.48Å; F222-F229 HydrophobicContact CE1-CD1 4.13Å; F222-F229 AromaticContact CE1-CG 3.89Å; F222-F229 HydrophobicContact CE1-CG 3.89Å; F222-F229 HydrophobicContact CG-CB 3.99Å; F222-F229 HydrophobicContact CZ-CB 4.08Å; F222-F229 HydrophobicContact CZ-CG 4.33Å; F222-V251 HydrophobicContact CD1-CG2 4.43Å; F222-V251 HydrophobicContact CE1-CG2 4.32Å; F222-L276 WeakPolarHBondContact O-CD2 3.23Å
223	T	90.4	Very high	78	Confident	14 Å²	14	43.5 Å²	43.5	9%	0.086	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68	154.7	164.9	52.8	0	0	0	0	110.6	D225 G226 S227 M228 Y230 L276 E278	T223-D225 VanDerWaalsContact CB-OD1 3.23Å; T223-D225 WeakPolarHBondContact CB-OD1 3.4Å; T223-D225 PolarHBondContact O-N 2.7Å; T223-D225 PolarHBondContact OG1-OD1 3.24Å; T223-G226 WeakPolarHBondContact O-CA 3.36Å; T223-G226 PolarHBondContact O-N 3Å; T223-S227 PolarHBondContact OG1-N 3.1Å; T223-M228 HydrophobicContact CG2-CB 3.9Å; T223-M228 PolarHBondContact N-O 3.36Å; T223-M228 PolarHBondContact OG1-N 2.98Å; T223-M228 VanDerWaalsContact OG1-N 3.15Å; T223-M228 PolarHBondContact OG1-O 2.86Å; T223-M228 VanDerWaalsContact OG1-O 3.09Å; T223-Y230 HydrophobicContact CG2-CE2 4.22Å; T223-L276 HydrophobicContact CG2-CD2 4.18Å; T223-E278 VanDerWaalsContact CA-OE1 3.28Å; T223-E278 WeakPolarHBondContact CA-OE1 3.36Å
224	S	85.7	Confident	79.6	Confident	97 Å²	97	43.4 Å²	43.4	68%	0.678	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.4	-177.7	58.8	0	0	0	0	113.6	G226 E278	S224-G226 VanDerWaalsContact C-N 3.33Å; S224-E278 WeakPolarHBondContact CB-OE1 3.27Å; S224-E278 PolarHBondContact N-OE1 2.99Å; S224-E278 PolarHBondContact OG-OE2 2.96Å
225	D	83.5	Confident	81.6	Confident	96 Å²	96	42.3 Å²	42.3	51%	0.513	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.2	174.1	69.2	-12.3	0	0	0	113.6	T223 S227	T223-D225 VanDerWaalsContact CB-OD1 3.23Å; T223-D225 WeakPolarHBondContact CB-OD1 3.4Å; T223-D225 PolarHBondContact O-N 2.7Å; T223-D225 PolarHBondContact OG1-OD1 3.24Å; D225-S227 PolarHBondContact O-N 2.8Å; D225-S227 PolarHBondContact OD1-N 3.1Å; D225-S227 PolarHBondContact OD1-OG 3.11Å; D225-S227 WeakPolarHBondContact OD2-CB 3.45Å; D225-S227 PolarHBondContact OD2-OG 3.38Å
226	G	80.4	Confident	83.5	Confident	4 Å²	4	45.9 Å²	45.9	4%	0.041	24%	0.235	C	C	.	.	S	Bend	trans	63.9	21.4	-175.1	0	0	0	0	0	113.9	T223 S224 V251	T223-G226 WeakPolarHBondContact O-CA 3.36Å; T223-G226 PolarHBondContact O-N 3Å; S224-G226 VanDerWaalsContact C-N 3.33Å; G226-V251 VanDerWaalsContact O-CB 3.27Å; G226-V251 WeakPolarHBondContact O-CB 3.23Å; G226-V251 WeakPolarHBondContact O-CG1 3.39Å; G226-V251 VanDerWaalsContact O-CG2 3.25Å; G226-V251 WeakPolarHBondContact O-CG2 3.29Å
227	S	82.4	Confident	85.1	Confident	45 Å²	45	40.2 Å²	40.2	32%	0.315	22%	0.215	S	C	.	.	S	Bend	trans	-82.4	-30.8	179.7	69.7	0	0	0	0	112.8	T223 D225 V251	T223-S227 PolarHBondContact OG1-N 3.1Å; D225-S227 PolarHBondContact O-N 2.8Å; D225-S227 PolarHBondContact OD1-N 3.1Å; D225-S227 PolarHBondContact OD1-OG 3.11Å; D225-S227 WeakPolarHBondContact OD2-CB 3.45Å; D225-S227 PolarHBondContact OD2-OG 3.38Å; S227-V251 PolarHBondContact O-N 3.03Å
228	M	87.9	Confident	86.3	Confident	49 Å²	49	41 Å²	41	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.3	-178.4	-67.1	-68.3	-64.2	0	0	110.2	T223 L249 T250	T223-M228 HydrophobicContact CG2-CB 3.9Å; T223-M228 PolarHBondContact N-O 3.36Å; T223-M228 PolarHBondContact OG1-N 2.98Å; T223-M228 VanDerWaalsContact OG1-N 3.15Å; T223-M228 PolarHBondContact OG1-O 2.86Å; T223-M228 VanDerWaalsContact OG1-O 3.09Å; M228-L249 CarbonylContact C-O 3.59Å; M228-L249 VanDerWaalsContact CA-O 3.32Å; M228-L249 WeakPolarHBondContact CA-O 3.39Å; M228-L249 WeakPolarHBondContact CE-O 3.42Å; M228-T250 HydrophobicContact CE-CG2 4.24Å; M228-T250 VanDerWaalsContact SD-CA 3.56Å; M228-T250 HydrophobicContact SD-CG2 3.24Å; M228-T250 WeakPolarHBondContact SD-CG2 3.17Å
229	F	89.8	Confident	86.8	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.4	167.5	73	-84.6	0	0	0	111.4	L191 H205 P220 L221 F222 T231 G248 L249 V251	L191-F229 HydrophobicContact CD2-CD2 4.29Å; L191-F229 HydrophobicContact CD2-CE1 4.17Å; L191-F229 HydrophobicContact CD2-CE2 3.56Å; L191-F229 HydrophobicContact CD2-CZ 3.49Å; L191-F229 VanDerWaalsContact CD2-CZ 3.49Å; H205-F229 HydrophobicContact CB-CZ 4.5Å; P220-F229 HydrophobicContact CB-CD2 3.8Å; L221-F229 CarbonylContact O-C 3.57Å; L221-F229 VanDerWaalsContact O-CA 3.3Å; L221-F229 WeakPolarHBondContact O-CA 3.4Å; F222-F229 HydrophobicContact CD1-CB 3.44Å; F222-F229 VanDerWaalsContact CD1-CB 3.44Å; F222-F229 HydrophobicContact CD1-CG 4.33Å; F222-F229 HydrophobicContact CE1-CB 3.48Å; F222-F229 VanDerWaalsContact CE1-CB 3.48Å; F222-F229 HydrophobicContact CE1-CD1 4.13Å; F222-F229 AromaticContact CE1-CG 3.89Å; F222-F229 HydrophobicContact CE1-CG 3.89Å; F222-F229 HydrophobicContact CG-CB 3.99Å; F222-F229 HydrophobicContact CZ-CB 4.08Å; F222-F229 HydrophobicContact CZ-CG 4.33Å; F229-T231 HydrophobicContact CD2-CG2 4.41Å; F229-T231 HydrophobicContact CE2-CG2 3.92Å; F229-G248 WeakPolarHBondContact O-CA 3.14Å; F229-L249 HydrophobicContact CD1-CB 4.12Å; F229-L249 HydrophobicContact CE1-CB 3.56Å; F229-L249 HydrophobicContact CE2-CB 4.2Å; F229-L249 HydrophobicContact CE2-CD1 3.85Å; F229-L249 HydrophobicContact CE2-CG 4.49Å; F229-L249 HydrophobicContact CZ-CB 3.6Å; F229-L249 HydrophobicContact CZ-CD1 3.97Å; F229-L249 HydrophobicContact CZ-CD2 4.15Å; F229-L249 HydrophobicContact CZ-CG 4.12Å; F229-L249 PolarHBondContact N-O 2.8Å; F229-L249 PolarHBondContact O-N 3.38Å; F229-V251 HydrophobicContact CD1-CG2 3.74Å; F229-V251 HydrophobicContact CE1-CG2 4.45Å
230	Y	91.6	Very high	86.4	Confident	24 Å²	24	48.4 Å²	48.4	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.9	177.4	-58.4	-82.6	0	0	0	109.3	P220 L221 T223 I246 A247 L263 L273 L276 I283 L302	P220-Y230 CarbonylContact C-O 3.5Å; P220-Y230 VanDerWaalsContact CA-O 3.22Å; P220-Y230 WeakPolarHBondContact CA-O 3.32Å; L221-Y230 PolarHBondContact N-O 3Å; L221-Y230 PolarHBondContact O-N 2.85Å; T223-Y230 HydrophobicContact CG2-CE2 4.22Å; Y230-I246 HydrophobicContact CD1-CG2 4.44Å; Y230-A247 VanDerWaalsContact CA-O 3.3Å; Y230-A247 WeakPolarHBondContact CA-O 3.17Å; Y230-L263 HydrophobicContact CD1-CD1 3.79Å; Y230-L263 HydrophobicContact CE1-CD1 3.73Å; Y230-L273 WeakPolarHBondContact O-CD1 3.43Å; Y230-L276 HydrophobicContact CD2-CD1 4.13Å; Y230-L276 HydrophobicContact CD2-CD2 4.18Å; Y230-L276 HydrophobicContact CE2-CD1 3.94Å; Y230-L276 HydrophobicContact CE2-CD2 4.21Å; Y230-I283 HydrophobicContact CD1-CD1 3.51Å; Y230-I283 HydrophobicContact CD2-CD1 3.65Å; Y230-I283 HydrophobicContact CE1-CD1 3.95Å; Y230-I283 HydrophobicContact CE2-CD1 4.06Å; Y230-I283 HydrophobicContact CG-CD1 3.34Å; Y230-L302 HydrophobicContact CE1-CD2 3.81Å; Y230-L302 HydrophobicContact CE2-CD2 4.04Å; Y230-L302 VanDerWaalsContact CZ-CD2 3.49Å; Y230-L302 WeakPolarHBondContact OH-CD2 3.4Å
231	T	89.9	Confident	86.1	Confident	5 Å²	5	48.5 Å²	48.5	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	166	177.3	-166.8	0	0	0	0	109.4	F229 L233 A247 L249	F229-T231 HydrophobicContact CD2-CG2 4.41Å; F229-T231 HydrophobicContact CE2-CG2 3.92Å; T231-L233 HydrophobicContact CG2-CD1 4.32Å; T231-L233 HydrophobicContact CG2-CD2 3.85Å; T231-L233 HydrophobicContact CG2-CG 3.77Å; T231-A247 PolarHBondContact N-O 3.01Å; T231-A247 PolarHBondContact O-N 2.98Å; T231-L249 HydrophobicContact CG2-CD1 3.83Å
232	I	88.6	Confident	85.7	Confident	8 Å²	8	48 Å²	48	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.1	173.2	-56.5	164.3	0	0	0	107.6	H244 H245 V270 L273	I232-H244 HydrophobicContact CG2-CB 3.54Å; I232-H245 WeakPolarHBondContact CA-O 3.47Å; I232-V270 HydrophobicContact CD1-CG1 4Å; I232-V270 HydrophobicContact CG1-CG1 3.98Å; I232-V270 HydrophobicContact CG2-CB 4.44Å; I232-L273 HydrophobicContact CD1-CG 4.1Å; I232-L273 HydrophobicContact CG1-CD1 4.24Å; I232-L273 HydrophobicContact CG1-CD2 4.13Å; I232-L273 HydrophobicContact CG1-CG 3.86Å
233	L	85.8	Confident	85.6	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.7	176.2	-65.1	-176	0	0	0	110.7	M207 T231 A235 H245 A247 L249 P260 F262	M207-L233 HydrophobicContact CE-CD2 3.13Å; M207-L233 HydrophobicContact SD-CD2 3.86Å; T231-L233 HydrophobicContact CG2-CD1 4.32Å; T231-L233 HydrophobicContact CG2-CD2 3.85Å; T231-L233 HydrophobicContact CG2-CG 3.77Å; L233-A235 PolarHBondContact O-N 3.02Å; L233-H245 PolarHBondContact N-O 3.34Å; L233-H245 PolarHBondContact O-N 2.88Å; L233-A247 HydrophobicContact CB-CB 4.04Å; L233-A247 HydrophobicContact CD1-CB 3.59Å; L233-A247 HydrophobicContact CG-CB 3.8Å; L233-L249 HydrophobicContact CD1-CD1 4.06Å; L233-P260 HydrophobicContact CD1-CB 3.89Å; L233-P260 HydrophobicContact CD1-CG 4.11Å; L233-F262 HydrophobicContact CB-CE1 3.92Å; L233-F262 HydrophobicContact CB-CZ 4.15Å
234	P	85.2	Confident	85.4	Confident	45 Å²	45	47.9 Å²	47.9	29%	0.292	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.5	170	27	-33	0	0	0	110.3	E242	P234-E242 HydrophobicContact CB-CB 4.14Å
235	A	87	Confident	85.8	Confident	5 Å²	5	43.2 Å²	43.2	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	176.7	0	0	0	0	0	110.1	L233 Q237 E242 F243 H245 F262	L233-A235 PolarHBondContact O-N 3.02Å; A235-Q237 PolarHBondContact O-N 3.3Å; A235-E242 CarbonylContact O-C 3.44Å; A235-E242 VanDerWaalsContact O-CA 3.27Å; A235-E242 WeakPolarHBondContact O-CA 3.44Å; A235-F243 PolarHBondContact N-O 2.8Å; A235-F243 PolarHBondContact O-N 2.93Å; A235-H245 HydrophobicContact CB-CB 4.18Å; A235-F262 HydrophobicContact CB-CD1 3.64Å; A235-F262 HydrophobicContact CB-CD2 4.16Å; A235-F262 HydrophobicContact CB-CE1 3.34Å; A235-F262 HydrophobicContact CB-CE2 3.89Å; A235-F262 HydrophobicContact CB-CG 4.04Å; A235-F262 HydrophobicContact CB-CZ 3.47Å; A235-F262 VanDerWaalsContact CB-CZ 3.47Å
236	K	87.8	Confident	86.2	Confident	165 Å²	165	38.7 Å²	38.7	72%	0.717	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	123.6	177.5	-68.7	-179	178.3	-175.3	0	111.2	E242	K236-E242 HydrophobicContact CB-CG 4.42Å; K236-E242 WeakPolarHBondContact CE-OE1 3.23Å; K236-E242 HydrophobicContact CG-CG 3.65Å
237	Q	88.8	Confident	86.7	Confident	49 Å²	49	38.5 Å²	38.5	23%	0.229	22%	0.216	C	C	.	.			trans	-114.4	40.7	179	-58.3	-62.5	-38.1	0	0	111.4	A235 G241 F243 H245 G266	A235-Q237 PolarHBondContact O-N 3.3Å; Q237-G241 WeakPolarHBondContact CA-O 3.48Å; Q237-G241 PolarHBondContact N-O 3.44Å; Q237-F243 HydrophobicContact CB-CD2 3.85Å; Q237-F243 HydrophobicContact CB-CE2 4.27Å; Q237-F243 HydrophobicContact CG-CB 4.17Å; Q237-F243 HydrophobicContact CG-CD2 3.64Å; Q237-F243 HydrophobicContact CG-CG 4.31Å; Q237-H245 PolarHBondContact NE2-CD2 3.31Å; Q237-G266 WeakPolarHBondContact CG-O 3.37Å
238	G	84.9	Confident	87.1	Confident	64 Å²	64	36.6 Å²	36.6	66%	0.66	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	68.6	-138	-179.9	0	0	0	0	0	113.2	R240 G241	G238-R240 PolarHBondContact O-N 3.09Å; G238-R240 VanDerWaalsContact O-N 3.1Å; G238-G241 PolarHBondContact O-N 2.95Å
239	A	78.8	Confident	87.1	Confident	97 Å²	97	35 Å²	35	80%	0.802	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.3	-15.2	-176.6	0	0	0	0	0	114.2	G241	A239-G241 VanDerWaalsContact C-N 3.29Å
240	R	75.6	Confident	86.8	Confident	169 Å²	169	38.2 Å²	38.2	64%	0.638	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-83	-3.7	-179.7	-62.3	-178.6	178.8	-178.8	-0.9	113.3	G238 F243 S267	G238-R240 PolarHBondContact O-N 3.09Å; G238-R240 VanDerWaalsContact O-N 3.1Å; R240-F243 HydrophobicContact CB-CE2 3.97Å; R240-F243 WeakPolarHBondContact O-CE2 3.26Å; R240-S267 WeakPolarHBondContact CD-OG 3.28Å; R240-S267 PolarHBondContact NH1-OG 3.4Å
241	G	81.3	Confident	85.8	Confident	8 Å²	8	37.7 Å²	37.7	8%	0.082	22%	0.215	C	C	.	.			trans	91.2	-156.4	179.8	0	0	0	0	0	113.1	Q237 G238 A239 Q452	Q237-G241 WeakPolarHBondContact CA-O 3.48Å; Q237-G241 PolarHBondContact N-O 3.44Å; G238-G241 PolarHBondContact O-N 2.95Å; A239-G241 VanDerWaalsContact C-N 3.29Å; G241-Q452 CarbonylContact C-O 3.53Å; G241-Q452 WeakPolarHBondContact CA-O 3.24Å
242	E	84.4	Confident	84.6	Confident	25 Å²	25	44.5 Å²	44.5	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	-174.3	-69.1	171.8	-170	0	0	110.9	P234 A235 K236 G451 Q452 T454	P234-E242 HydrophobicContact CB-CB 4.14Å; A235-E242 CarbonylContact O-C 3.44Å; A235-E242 VanDerWaalsContact O-CA 3.27Å; A235-E242 WeakPolarHBondContact O-CA 3.44Å; K236-E242 HydrophobicContact CB-CG 4.42Å; K236-E242 WeakPolarHBondContact CE-OE1 3.23Å; K236-E242 HydrophobicContact CG-CG 3.65Å; E242-G451 CarbonylContact O-C 3.58Å; E242-G451 VanDerWaalsContact O-CA 3.23Å; E242-G451 WeakPolarHBondContact O-CA 3.14Å; E242-Q452 WeakPolarHBondContact CB-O 3.31Å; E242-Q452 PolarHBondContact N-O 3.04Å; E242-Q452 PolarHBondContact O-N 2.9Å; E242-T454 WeakPolarHBondContact OE1-CG2 3.4Å; E242-T454 PolarHBondContact OE1-OG1 2.96Å
243	F	86.7	Confident	83.1	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147	178.6	-70.5	-99.2	0	0	0	110.1	A235 Q237 R240 H245 W268 D269 G451	A235-F243 PolarHBondContact N-O 2.8Å; A235-F243 PolarHBondContact O-N 2.93Å; Q237-F243 HydrophobicContact CB-CD2 3.85Å; Q237-F243 HydrophobicContact CB-CE2 4.27Å; Q237-F243 HydrophobicContact CG-CB 4.17Å; Q237-F243 HydrophobicContact CG-CD2 3.64Å; Q237-F243 HydrophobicContact CG-CG 4.31Å; R240-F243 HydrophobicContact CB-CE2 3.97Å; R240-F243 WeakPolarHBondContact O-CE2 3.26Å; F243-H245 PolarHBondContact O-CD2 2.88Å; F243-H245 PolarHBondContact O-N 3.37Å; F243-W268 VanDerWaalsContact CD1-N 3.26Å; F243-D269 VanDerWaalsContact CA-OD1 3.28Å; F243-D269 WeakPolarHBondContact CA-OD1 3.46Å; F243-D269 WeakPolarHBondContact CB-OD1 3.42Å; F243-D269 WeakPolarHBondContact CD1-OD1 3.37Å; F243-G451 VanDerWaalsContact CE1-CA 3.41Å; F243-G451 VanDerWaalsContact CE2-CA 3.43Å
244	H	88.1	Confident	81.3	Confident	35 Å²	35	52.4 Å²	52.4	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	116	178.4	-77.4	83.5	0	0	0	110	D210 I232 D269 V270	D210-H244 IonicContact OD2-CE1 3.92Å; D210-H244 PolarHBondContact OD2-CE1 2.82Å; D210-H244 IonicContact OD2-NE2 3.91Å; D210-H244 PolarHBondContact OD2-NE2 2.95Å; I232-H244 HydrophobicContact CG2-CB 3.54Å; H244-D269 HydrophobicContact CB-CB 4.12Å; H244-D269 PolarHBondContact N-OD1 2.79Å; H244-D269 IonicContact ND1-OD1 3.18Å; H244-V270 PolarHBondContact O-N 3.12Å
245	H	92.3	Very high	79.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.9	-176.9	-76.6	-53.7	0	0	0	111.6	I232 L233 A235 Q237 F243 A247 F262 T264 G266 W268	I232-H245 WeakPolarHBondContact CA-O 3.47Å; L233-H245 PolarHBondContact N-O 3.34Å; L233-H245 PolarHBondContact O-N 2.88Å; A235-H245 HydrophobicContact CB-CB 4.18Å; Q237-H245 PolarHBondContact NE2-CD2 3.31Å; F243-H245 PolarHBondContact O-CD2 2.88Å; F243-H245 PolarHBondContact O-N 3.37Å; H245-A247 PolarHBondContact O-N 2.8Å; H245-F262 HydrophobicContact CB-CD1 3.92Å; H245-F262 HydrophobicContact CB-CE1 4.35Å; H245-T264 WeakPolarHBondContact CA-OG1 3.26Å; H245-T264 WeakPolarHBondContact CB-O 3.22Å; H245-T264 VanDerWaalsContact CB-OG1 3.22Å; H245-T264 WeakPolarHBondContact CB-OG1 3.43Å; H245-T264 PolarHBondContact ND1-OG1 2.61Å; H245-T264 VanDerWaalsContact ND1-OG1 3.09Å; H245-G266 PolarHBondContact CE1-N 3.49Å; H245-G266 PolarHBondContact NE2-N 3.42Å; H245-G266 VanDerWaalsContact NE2-N 3.19Å; H245-G266 PolarHBondContact NE2-O 3.01Å; H245-W268 AromaticContact CE1-CD2 3.96Å; H245-W268 AromaticContact CE1-CE3 3.94Å; H245-W268 PolarHBondContact CE1-O 3.09Å; H245-W268 AromaticContact ND1-CZ3 3.93Å
246	I	93.8	Very high	77.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.2	-179.6	-45.6	-175	0	0	0	108.7	Y230 F262 L263 T264 V270 L273 I283 F285 V300	Y230-I246 HydrophobicContact CD1-CG2 4.44Å; I246-F262 CarbonylContact O-C 3.35Å; I246-F262 VanDerWaalsContact O-CA 3.31Å; I246-F262 WeakPolarHBondContact O-CA 3.48Å; I246-L263 HydrophobicContact CB-CB 4.3Å; I246-L263 HydrophobicContact CG2-CD1 3.92Å; I246-L263 HydrophobicContact CG2-CG 4.39Å; I246-L263 PolarHBondContact O-N 2.7Å; I246-T264 HydrophobicContact CB-CG2 4.36Å; I246-T264 HydrophobicContact CD1-CG2 3.98Å; I246-T264 HydrophobicContact CG1-CG2 3.96Å; I246-T264 PolarHBondContact N-OG1 3.35Å; I246-V270 HydrophobicContact CD1-CG1 4.49Å; I246-V270 HydrophobicContact CG1-CB 4.45Å; I246-V270 HydrophobicContact CG1-CG1 4.03Å; I246-V270 HydrophobicContact CG1-CG2 3.85Å; I246-L273 HydrophobicContact CD1-CD2 3.78Å; I246-L273 HydrophobicContact CG1-CD2 3.87Å; I246-L273 HydrophobicContact CG2-CD2 4.2Å; I246-I283 HydrophobicContact CD1-CG2 3.97Å; I246-I283 HydrophobicContact CG2-CD1 4.2Å; I246-F285 HydrophobicContact CD1-CB 4.05Å; I246-F285 HydrophobicContact CD1-CD1 3.5Å; I246-F285 HydrophobicContact CD1-CD2 4.17Å; I246-F285 HydrophobicContact CD1-CE1 3.9Å; I246-F285 HydrophobicContact CD1-CG 3.65Å; I246-F285 HydrophobicContact CD1-CZ 4.38Å; I246-V300 HydrophobicContact CD1-CG1 4.03Å
247	A	90.9	Very high	76.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.3	174.8	0	0	0	0	0	110.2	Y230 T231 L233 H245 L249 P260 F262	Y230-A247 VanDerWaalsContact CA-O 3.3Å; Y230-A247 WeakPolarHBondContact CA-O 3.17Å; T231-A247 PolarHBondContact N-O 3.01Å; T231-A247 PolarHBondContact O-N 2.98Å; L233-A247 HydrophobicContact CB-CB 4.04Å; L233-A247 HydrophobicContact CD1-CB 3.59Å; L233-A247 HydrophobicContact CG-CB 3.8Å; H245-A247 PolarHBondContact O-N 2.8Å; A247-L249 HydrophobicContact CB-CD1 4.03Å; A247-P260 HydrophobicContact CB-CB 3.86Å; A247-F262 HydrophobicContact CB-CD1 4.02Å; A247-F262 HydrophobicContact CB-CE1 3.9Å
248	G	90.4	Very high	75.1	Confident	5 Å²	5	62.5 Å²	62.5	5%	0.052	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.9	167.8	0	0	0	0	0	111.2	F229 R261	F229-G248 WeakPolarHBondContact O-CA 3.14Å; G248-R261 PolarHBondContact N-O 2.87Å; G248-R261 PolarHBondContact O-N 2.91Å; G248-R261 VanDerWaalsContact O-N 3.09Å
249	L	86.9	Confident	74.6	Confident	17 Å²	17	64.2 Å²	64.2	9%	0.089	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.6	178.6	-62.7	97.6	0	0	0	110.9	M228 F229 T231 L233 A247 P260	M228-L249 CarbonylContact C-O 3.59Å; M228-L249 VanDerWaalsContact CA-O 3.32Å; M228-L249 WeakPolarHBondContact CA-O 3.39Å; M228-L249 WeakPolarHBondContact CE-O 3.42Å; F229-L249 HydrophobicContact CD1-CB 4.12Å; F229-L249 HydrophobicContact CE1-CB 3.56Å; F229-L249 HydrophobicContact CE2-CB 4.2Å; F229-L249 HydrophobicContact CE2-CD1 3.85Å; F229-L249 HydrophobicContact CE2-CG 4.49Å; F229-L249 HydrophobicContact CZ-CB 3.6Å; F229-L249 HydrophobicContact CZ-CD1 3.97Å; F229-L249 HydrophobicContact CZ-CD2 4.15Å; F229-L249 HydrophobicContact CZ-CG 4.12Å; F229-L249 PolarHBondContact N-O 2.8Å; F229-L249 PolarHBondContact O-N 3.38Å; T231-L249 HydrophobicContact CG2-CD1 3.83Å; L233-L249 HydrophobicContact CD1-CD1 4.06Å; A247-L249 HydrophobicContact CB-CD1 4.03Å; L249-P260 HydrophobicContact CD1-CB 4.49Å; L249-P260 HydrophobicContact CD2-CB 4.41Å; L249-P260 HydrophobicContact CG-CB 4.25Å
250	T	83	Confident	74.8	Confident	70 Å²	70	61.6 Å²	61.6	43%	0.429	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145.2	172.9	49.8	0	0	0	0	111	M228	M228-T250 HydrophobicContact CE-CG2 4.24Å; M228-T250 VanDerWaalsContact SD-CA 3.56Å; M228-T250 HydrophobicContact SD-CG2 3.24Å; M228-T250 WeakPolarHBondContact SD-CG2 3.17Å
251	V	72.1	Confident	75.5	Confident	13 Å²	13	60.1 Å²	60.1	8%	0.079	35%	0.352	C	S	.	.			trans	-87.2	-9.4	176.8	179.7	0	0	0	0	111.9	V193 K204 F222 G226 S227 F229	V193-V251 HydrophobicContact CG2-CG1 4.04Å; K204-V251 HydrophobicContact CD-CG1 4.22Å; K204-V251 WeakPolarHBondContact CD-O 3.33Å; K204-V251 WeakPolarHBondContact CE-O 3.25Å; K204-V251 HydrophobicContact CG-CG1 4.36Å; K204-V251 PolarHBondContact NZ-O 2.75Å; F222-V251 HydrophobicContact CD1-CG2 4.43Å; F222-V251 HydrophobicContact CE1-CG2 4.32Å; G226-V251 VanDerWaalsContact O-CB 3.27Å; G226-V251 WeakPolarHBondContact O-CB 3.23Å; G226-V251 WeakPolarHBondContact O-CG1 3.39Å; G226-V251 VanDerWaalsContact O-CG2 3.25Å; G226-V251 WeakPolarHBondContact O-CG2 3.29Å; S227-V251 PolarHBondContact O-N 3.03Å; F229-V251 HydrophobicContact CD1-CG2 3.74Å; F229-V251 HydrophobicContact CE1-CG2 4.45Å
252	Q	65.1	Low	76	Confident	147 Å²	147	62.9 Å²	62.9	69%	0.687	36%	0.362	S	S	*	.	S	Bend	trans	-66.5	151.2	175.5	-72.5	-173	13.7	0	0	111.4	A254	Q252-A254 PolarHBondContact O-N 3.05Å
253	P	55.4	Low	76.5	Confident	100 Å²	100	62 Å²	62	65%	0.649	36%	0.358	S	S	*	.			trans	-54.6	134	-177.8	22.7	-32.6	0	0	0	109.3	I255	P253-I255 VanDerWaalsContact C-N 3.31Å; P253-I255 PolarHBondContact O-N 2.93Å
254	A	49.1	Very low	76.9	Confident	83 Å²	83	62 Å²	62	69%	0.686	36%	0.358	S	S	*	.			trans	-57.9	95.6	178.8	0	0	0	0	0	109.4	Q252	Q252-A254 PolarHBondContact O-N 3.05Å
255	I	51.1	Low	77.1	Confident	139 Å²	139	63.3 Å²	63.3	71%	0.713	37%	0.371	S	S	*	.			trans	-52.2	126.2	142.5	-57.2	172.5	0	0	0	103.6	P253 S257	P253-I255 VanDerWaalsContact C-N 3.31Å; P253-I255 PolarHBondContact O-N 2.93Å; I255-S257 PolarHBondContact O-N 2.83Å; I255-S257 VanDerWaalsContact O-N 3.07Å
256	P	50.1	Low	77.1	Confident	111 Å²	111	64.2 Å²	64.2	72%	0.721	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	124.9	-171.4	22.6	-31.8	0	0	0	108.7
257	S	56	Low	76.9	Confident	111 Å²	111	65.8 Å²	65.8	78%	0.776	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	35.9	164.5	92.3	0	0	0	0	121.1	I255 P259	I255-S257 PolarHBondContact O-N 2.83Å; I255-S257 VanDerWaalsContact O-N 3.07Å; S257-P259 WeakPolarHBondContact O-CD 3.37Å
258	V	61.7	Low	76.9	Confident	115 Å²	115	66.6 Å²	66.6	70%	0.697	40%	0.395	S	S	*	.			trans	-79.1	109.1	155.4	-173.8	0	0	0	0	108.8
259	P	74.4	Confident	76.9	Confident	100 Å²	100	66.7 Å²	66.7	65%	0.649	40%	0.395	S	S	*	.			trans	-65.4	151	177.7	29.1	-35.4	0	0	0	110.5	S257 R261	S257-P259 WeakPolarHBondContact O-CD 3.37Å; P259-R261 PolarHBondContact O-N 3.37Å
260	P	83.3	Confident	77.2	Confident	42 Å²	42	66 Å²	66	27%	0.273	39%	0.391	S	S	.	.			trans	-56.6	134.2	173.9	22.6	-31.6	0	0	0	110.6	L233 A247 L249 F262	L233-P260 HydrophobicContact CD1-CB 3.89Å; L233-P260 HydrophobicContact CD1-CG 4.11Å; A247-P260 HydrophobicContact CB-CB 3.86Å; L249-P260 HydrophobicContact CD1-CB 4.49Å; L249-P260 HydrophobicContact CD2-CB 4.41Å; L249-P260 HydrophobicContact CG-CB 4.25Å; P260-F262 HydrophobicContact CB-CE2 4.36Å; P260-F262 HydrophobicContact CG-CE2 3.87Å; P260-F262 HydrophobicContact CG-CZ 4.13Å; P260-F262 PolarHBondContact O-N 2.73Å
261	R	90	Very high	77.5	Confident	139 Å²	139	64.4 Å²	64.4	53%	0.525	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	103.4	174.6	179.6	177.2	169.2	112.7	3.6	108.6	G248 P259 F306	G248-R261 PolarHBondContact N-O 2.87Å; G248-R261 PolarHBondContact O-N 2.91Å; G248-R261 VanDerWaalsContact O-N 3.09Å; P259-R261 PolarHBondContact O-N 3.37Å; R261-F306 HydrophobicContact CG-CZ 4.4Å; R261-F306 VanDerWaalsContact CZ-CZ 3.45Å; R261-F306 VanDerWaalsContact NE-CZ 3.31Å; R261-F306 VanDerWaalsContact NH2-CE1 3.35Å
262	F	92.3	Very high	78.4	Confident	66 Å²	66	65.9 Å²	65.9	29%	0.289	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.5	176.1	-70.7	-78.8	0	0	0	111.3	L233 A235 H245 I246 A247 P260	L233-F262 HydrophobicContact CB-CE1 3.92Å; L233-F262 HydrophobicContact CB-CZ 4.15Å; A235-F262 HydrophobicContact CB-CD1 3.64Å; A235-F262 HydrophobicContact CB-CD2 4.16Å; A235-F262 HydrophobicContact CB-CE1 3.34Å; A235-F262 HydrophobicContact CB-CE2 3.89Å; A235-F262 HydrophobicContact CB-CG 4.04Å; A235-F262 HydrophobicContact CB-CZ 3.47Å; A235-F262 VanDerWaalsContact CB-CZ 3.47Å; H245-F262 HydrophobicContact CB-CD1 3.92Å; H245-F262 HydrophobicContact CB-CE1 4.35Å; I246-F262 CarbonylContact O-C 3.35Å; I246-F262 VanDerWaalsContact O-CA 3.31Å; I246-F262 WeakPolarHBondContact O-CA 3.48Å; A247-F262 HydrophobicContact CB-CD1 4.02Å; A247-F262 HydrophobicContact CB-CE1 3.9Å; P260-F262 HydrophobicContact CB-CE2 4.36Å; P260-F262 HydrophobicContact CG-CE2 3.87Å; P260-F262 HydrophobicContact CG-CZ 4.13Å; P260-F262 PolarHBondContact O-N 2.73Å
263	L	94.1	Very high	79.7	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	36%	0.36	C	S	.	.	S	Bend	trans	-92	-20.4	176.5	-51.9	-177.8	0	0	0	112.2	Y230 I246 I283 V300 L302 F306	Y230-L263 HydrophobicContact CD1-CD1 3.79Å; Y230-L263 HydrophobicContact CE1-CD1 3.73Å; I246-L263 HydrophobicContact CB-CB 4.3Å; I246-L263 HydrophobicContact CG2-CD1 3.92Å; I246-L263 HydrophobicContact CG2-CG 4.39Å; I246-L263 PolarHBondContact O-N 2.7Å; L263-I283 HydrophobicContact CD1-CD1 3.76Å; L263-V300 HydrophobicContact CB-CG1 4.4Å; L263-V300 HydrophobicContact CB-CG2 4.43Å; L263-V300 HydrophobicContact CD1-CG1 4.47Å; L263-L302 HydrophobicContact CD1-CD2 3.95Å; L263-F306 HydrophobicContact CD2-CD1 3.97Å; L263-F306 HydrophobicContact CD2-CE1 3.45Å; L263-F306 VanDerWaalsContact CD2-CE1 3.45Å; L263-F306 HydrophobicContact CD2-CZ 3.85Å
264	T	94.6	Very high	81.6	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.018	34%	0.337	C	S	.	.			trans	-129	151.3	-177.8	61.4	0	0	0	0	110.6	H245 I246 W268 F285 V300	H245-T264 WeakPolarHBondContact CA-OG1 3.26Å; H245-T264 WeakPolarHBondContact CB-O 3.22Å; H245-T264 VanDerWaalsContact CB-OG1 3.22Å; H245-T264 WeakPolarHBondContact CB-OG1 3.43Å; H245-T264 PolarHBondContact ND1-OG1 2.61Å; H245-T264 VanDerWaalsContact ND1-OG1 3.09Å; I246-T264 HydrophobicContact CB-CG2 4.36Å; I246-T264 HydrophobicContact CD1-CG2 3.98Å; I246-T264 HydrophobicContact CG1-CG2 3.96Å; I246-T264 PolarHBondContact N-OG1 3.35Å; T264-W268 HydrophobicContact CG2-CH2 4.11Å; T264-F285 HydrophobicContact CG2-CE1 4.42Å; T264-F285 HydrophobicContact CG2-CE2 4.46Å; T264-F285 HydrophobicContact CG2-CZ 3.97Å; T264-V300 HydrophobicContact CG2-CG1 4.38Å; T264-V300 HydrophobicContact CG2-CG2 4.44Å
265	S	93.4	Very high	83.7	Confident	62 Å²	62	52.5 Å²	52.5	43%	0.434	31%	0.307	S	S	.	.			trans	-153.8	153.1	175	58.3	0	0	0	0	110.4
266	G	91.8	Very high	85.8	Confident	20 Å²	20	46.8 Å²	46.8	21%	0.206	28%	0.278	C	S	.	.	S	Bend	trans	147.9	179.9	176.4	0	0	0	0	0	112.2	Q237 H245 W268	Q237-G266 WeakPolarHBondContact CG-O 3.37Å; H245-G266 PolarHBondContact CE1-N 3.49Å; H245-G266 PolarHBondContact NE2-N 3.42Å; H245-G266 VanDerWaalsContact NE2-N 3.19Å; H245-G266 PolarHBondContact NE2-O 3.01Å; G266-W268 VanDerWaalsContact C-N 3.25Å; G266-W268 PolarHBondContact O-N 3.03Å
267	S	90.3	Very high	87.8	Confident	33 Å²	33	42.6 Å²	42.6	23%	0.231	25%	0.249	C	C	.	.	S	Bend	trans	-92.1	57.6	179	-52	0	0	0	0	111.5	R240	R240-S267 WeakPolarHBondContact CD-OG 3.28Å; R240-S267 PolarHBondContact NH1-OG 3.4Å
268	W	90.9	Very high	89.5	Confident	17 Å²	17	41.3 Å²	41.3	6%	0.064	23%	0.231	C	C	.	.	S	Bend	trans	-159.6	158	-177	51.8	-99.4	0	0	0	109.3	F243 H245 T264 G266 V270 F285 T288 E289	F243-W268 VanDerWaalsContact CD1-N 3.26Å; H245-W268 AromaticContact CE1-CD2 3.96Å; H245-W268 AromaticContact CE1-CE3 3.94Å; H245-W268 PolarHBondContact CE1-O 3.09Å; H245-W268 AromaticContact ND1-CZ3 3.93Å; T264-W268 HydrophobicContact CG2-CH2 4.11Å; G266-W268 VanDerWaalsContact C-N 3.25Å; G266-W268 PolarHBondContact O-N 3.03Å; W268-V270 HydrophobicContact CE3-CG2 4.44Å; W268-V270 HydrophobicContact CH2-CG2 4.3Å; W268-V270 HydrophobicContact CZ3-CG2 3.57Å; W268-F285 HydrophobicContact CH2-CE2 4.11Å; W268-F285 HydrophobicContact CH2-CZ 4.45Å; W268-F285 HydrophobicContact CZ3-CE2 4.03Å; W268-T288 WeakPolarHBondContact CB-OG1 3.28Å; W268-E289 HydrophobicContact CB-CB 4.43Å; W268-E289 HydrophobicContact CD2-CB 3.64Å; W268-E289 HydrophobicContact CD2-CG 4.04Å; W268-E289 VanDerWaalsContact CE2-CD 3.48Å; W268-E289 HydrophobicContact CE3-CB 4.03Å; W268-E289 HydrophobicContact CG-CB 3.81Å; W268-E289 HydrophobicContact CG-CG 4.13Å; W268-E289 HydrophobicContact CZ2-CB 4.33Å; W268-E289 VanDerWaalsContact CZ2-CD 3.44Å; W268-E289 HydrophobicContact CZ2-CG 4.16Å; W268-E289 WeakPolarHBondContact CZ2-OE2 3.41Å; W268-E289 HydrophobicContact CZ3-CB 4.48Å
269	D	90.4	Very high	90.9	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	24%	0.241	C	C	.	.			trans	-106.4	141.7	-176.6	-73	-33.2	0	0	0	111.9	F243 H244 S287 T288 V448 G449	F243-D269 VanDerWaalsContact CA-OD1 3.28Å; F243-D269 WeakPolarHBondContact CA-OD1 3.46Å; F243-D269 WeakPolarHBondContact CB-OD1 3.42Å; F243-D269 WeakPolarHBondContact CD1-OD1 3.37Å; H244-D269 HydrophobicContact CB-CB 4.12Å; H244-D269 PolarHBondContact N-OD1 2.79Å; H244-D269 IonicContact ND1-OD1 3.18Å; D269-S287 VanDerWaalsContact O-CA 3.26Å; D269-S287 WeakPolarHBondContact O-CA 3.05Å; D269-S287 WeakPolarHBondContact O-CB 3.49Å; D269-T288 PolarHBondContact N-OG1 3.44Å; D269-T288 PolarHBondContact O-N 3.43Å; D269-V448 HydrophobicContact CB-CG1 4.03Å; D269-G449 VanDerWaalsContact OD2-CA 3.26Å; D269-G449 WeakPolarHBondContact OD2-CA 3.36Å; D269-G449 PolarHBondContact OD2-N 3.42Å
270	V	92.3	Very high	91.6	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.7	159.8	178.6	0	0	0	0	107.4	I232 H244 I246 W268 L273 F285	I232-V270 HydrophobicContact CD1-CG1 4Å; I232-V270 HydrophobicContact CG1-CG1 3.98Å; I232-V270 HydrophobicContact CG2-CB 4.44Å; H244-V270 PolarHBondContact O-N 3.12Å; I246-V270 HydrophobicContact CD1-CG1 4.49Å; I246-V270 HydrophobicContact CG1-CB 4.45Å; I246-V270 HydrophobicContact CG1-CG1 4.03Å; I246-V270 HydrophobicContact CG1-CG2 3.85Å; W268-V270 HydrophobicContact CE3-CG2 4.44Å; W268-V270 HydrophobicContact CH2-CG2 4.3Å; W268-V270 HydrophobicContact CZ3-CG2 3.57Å; V270-L273 HydrophobicContact CG1-CD2 4.16Å; V270-F285 HydrophobicContact CB-CD2 4.43Å; V270-F285 HydrophobicContact CG1-CB 4.11Å; V270-F285 HydrophobicContact CG1-CD2 3.86Å; V270-F285 HydrophobicContact CG1-CG 4.31Å; V270-F285 HydrophobicContact CG2-CD2 3.94Å; V270-F285 HydrophobicContact CG2-CE2 4.02Å
271	T	89.4	Confident	92.1	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.221	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-22.8	-171.4	66.7	0	0	0	0	113.6	L286 T288 V448	T271-L286 PolarHBondContact N-O 3.42Å; T271-L286 WeakPolarHBondContact OG1-CB 3.27Å; T271-L286 PolarHBondContact OG1-O 3.06Å; T271-T288 HydrophobicContact CG2-CG2 3.87Å; T271-V448 HydrophobicContact CG2-CG1 3.48Å; T271-V448 VanDerWaalsContact CG2-CG1 3.48Å
272	L	90.6	Very high	92.3	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.225	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	135.5	178.2	-174.2	67.4	0	0	0	110.2	F285 L286	L272-F285 CarbonylContact O-C 3.6Å; L272-F285 VanDerWaalsContact O-CA 3.23Å; L272-F285 WeakPolarHBondContact O-CA 3.34Å; L272-F285 VanDerWaalsContact O-CB 3.31Å; L272-F285 WeakPolarHBondContact O-CB 3.26Å; L272-L286 HydrophobicContact CB-CB 4.26Å; L272-L286 HydrophobicContact CB-CD1 4.18Å; L272-L286 HydrophobicContact CB-CG 4.46Å; L272-L286 HydrophobicContact CD2-CD1 4.03Å; L272-L286 PolarHBondContact O-N 3.43Å
273	L	93.5	Very high	92.5	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.1	164.8	-58.4	-178.8	0	0	0	109	L221 Y230 I232 I246 V270 I283 F285	L221-L273 HydrophobicContact CD1-CB 3.72Å; L221-L273 HydrophobicContact CD1-CD1 4.43Å; L221-L273 HydrophobicContact CG-CB 4Å; L221-L273 HydrophobicContact CG-CD1 4.27Å; Y230-L273 WeakPolarHBondContact O-CD1 3.43Å; I232-L273 HydrophobicContact CD1-CG 4.1Å; I232-L273 HydrophobicContact CG1-CD1 4.24Å; I232-L273 HydrophobicContact CG1-CD2 4.13Å; I232-L273 HydrophobicContact CG1-CG 3.86Å; I246-L273 HydrophobicContact CD1-CD2 3.78Å; I246-L273 HydrophobicContact CG1-CD2 3.87Å; I246-L273 HydrophobicContact CG2-CD2 4.2Å; V270-L273 HydrophobicContact CG1-CD2 4.16Å; L273-I283 HydrophobicContact CD2-CG2 4.25Å; L273-F285 HydrophobicContact CD2-CB 4.11Å
274	C	93.8	Very high	92.6	Very high	26 Å²	26	35.7 Å²	35.7	18%	0.176	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-45.6	-174.1	-62.3	0	0	0	0	112.6	Y284 F326	C274-Y284 WeakPolarHBondContact CB-O 3.45Å; C274-Y284 PolarHBondContact N-O 3.04Å; C274-F326 HydrophobicContact CB-CD2 3.79Å; C274-F326 HydrophobicContact CB-CE2 3.59Å
275	A	94.2	Very high	92.7	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	151.6	-177.8	0	0	0	0	0	112	Y284 F326 Q330	A275-Y284 HydrophobicContact CB-CD2 4.06Å; A275-Y284 PolarHBondContact N-O 2.64Å; A275-Y284 PolarHBondContact O-N 2.73Å; A275-F326 HydrophobicContact CB-CB 3.87Å; A275-F326 HydrophobicContact CB-CD1 3.93Å; A275-F326 HydrophobicContact CB-CD2 3.78Å; A275-F326 HydrophobicContact CB-CE1 4.44Å; A275-F326 HydrophobicContact CB-CE2 4.33Å; A275-F326 HydrophobicContact CB-CG 3.57Å; A275-Q330 HydrophobicContact CB-CG 4.34Å
276	L	93.9	Very high	92.8	Very high	19 Å²	19	33 Å²	33	10%	0.099	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	169.8	173.2	66.3	0	0	0	107.7	L221 F222 T223 Y230 E278 I283 L302	L221-L276 HydrophobicContact CB-CB 4.2Å; L221-L276 HydrophobicContact CD1-CB 4.05Å; F222-L276 WeakPolarHBondContact O-CD2 3.23Å; T223-L276 HydrophobicContact CG2-CD2 4.18Å; Y230-L276 HydrophobicContact CD2-CD1 4.13Å; Y230-L276 HydrophobicContact CD2-CD2 4.18Å; Y230-L276 HydrophobicContact CE2-CD1 3.94Å; Y230-L276 HydrophobicContact CE2-CD2 4.21Å; L276-E278 HydrophobicContact CD2-CG 4.19Å; L276-E278 HydrophobicContact CG-CG 4.14Å; L276-I283 HydrophobicContact CD1-CD1 4.12Å; L276-I283 HydrophobicContact CD1-CG1 3.51Å; L276-L302 HydrophobicContact CD1-CD1 3.87Å; L276-L302 HydrophobicContact CD1-CD2 4.32Å
277	D	93.6	Very high	92.9	Very high	22 Å²	22	32 Å²	32	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	95.6	173.7	-178.7	-9.1	0	0	0	108.9	K279 A280 G281 K282 Y284 Q330	D277-K279 VanDerWaalsContact C-N 3.28Å; D277-K279 PolarHBondContact O-N 3.26Å; D277-K279 PolarHBondContact OD1-N 2.96Å; D277-K279 VanDerWaalsContact OD1-N 3.08Å; D277-A280 HydrophobicContact CB-CB 4.26Å; D277-A280 VanDerWaalsContact CG-CB 3.45Å; D277-A280 PolarHBondContact OD1-N 3.07Å; D277-A280 WeakPolarHBondContact OD2-CB 3.43Å; D277-G281 WeakPolarHBondContact O-CA 3.46Å; D277-G281 PolarHBondContact O-N 3.33Å; D277-K282 PolarHBondContact N-O 3.05Å; D277-K282 PolarHBondContact O-N 3.32Å; D277-Y284 HydrophobicContact CB-CE2 3.84Å; D277-Q330 HydrophobicContact CB-CB 4.4Å; D277-Q330 HydrophobicContact CB-CG 4.44Å
278	E	91.6	Very high	93	Very high	84 Å²	84	30.7 Å²	30.7	39%	0.393	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.7	-179.8	-70.8	175	-137.4	0	0	112.5	T223 S224 L276 G281	T223-E278 VanDerWaalsContact CA-OE1 3.28Å; T223-E278 WeakPolarHBondContact CA-OE1 3.36Å; S224-E278 WeakPolarHBondContact CB-OE1 3.27Å; S224-E278 PolarHBondContact N-OE1 2.99Å; S224-E278 PolarHBondContact OG-OE2 2.96Å; L276-E278 HydrophobicContact CD2-CG 4.19Å; L276-E278 HydrophobicContact CG-CG 4.14Å; E278-G281 PolarHBondContact O-N 3.14Å
279	K	90.7	Very high	93.2	Very high	210 Å²	210	32.6 Å²	32.6	91%	0.913	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-41.7	-178.5	-66.6	179.3	-178.4	173.8	0	111	D277 G281	D277-K279 VanDerWaalsContact C-N 3.28Å; D277-K279 PolarHBondContact O-N 3.26Å; D277-K279 PolarHBondContact OD1-N 2.96Å; D277-K279 VanDerWaalsContact OD1-N 3.08Å; K279-G281 VanDerWaalsContact C-N 3.31Å
280	A	90	Very high	93.3	Very high	51 Å²	51	38.9 Å²	38.9	42%	0.421	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.3	174	0	0	0	0	0	112.9	D277 K282	D277-A280 HydrophobicContact CB-CB 4.26Å; D277-A280 VanDerWaalsContact CG-CB 3.45Å; D277-A280 PolarHBondContact OD1-N 3.07Å; D277-A280 WeakPolarHBondContact OD2-CB 3.43Å; A280-K282 HydrophobicContact CB-CD 4.47Å; A280-K282 HydrophobicContact CB-CG 4.33Å
281	G	92.8	Very high	93.3	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	41.2	-175.8	0	0	0	0	0	112.8	D277 E278 K279 L302	D277-G281 WeakPolarHBondContact O-CA 3.46Å; D277-G281 PolarHBondContact O-N 3.33Å; E278-G281 PolarHBondContact O-N 3.14Å; K279-G281 VanDerWaalsContact C-N 3.31Å; G281-L302 WeakPolarHBondContact O-CB 3.49Å; G281-L302 WeakPolarHBondContact O-CG 3.44Å; G281-L302 PolarHBondContact O-N 3.37Å
282	K	94.6	Very high	93.2	Very high	62 Å²	62	41.9 Å²	41.9	27%	0.27	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.7	-173.1	-64.6	-173.7	-176.5	-166.9	0	113.6	D277 A280 Y284 V300 D301	D277-K282 PolarHBondContact N-O 3.05Å; D277-K282 PolarHBondContact O-N 3.32Å; A280-K282 HydrophobicContact CB-CD 4.47Å; A280-K282 HydrophobicContact CB-CG 4.33Å; K282-Y284 HydrophobicContact CB-CE2 4.4Å; K282-V300 WeakPolarHBondContact CA-O 3.37Å; K282-D301 WeakPolarHBondContact CE-OD1 3.28Å; K282-D301 IonicContact NZ-OD1 3.05Å
283	I	95.8	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	165.8	-69.6	169.9	0	0	0	109.5	Y230 I246 L263 L273 L276 S299 V300 L302	Y230-I283 HydrophobicContact CD1-CD1 3.51Å; Y230-I283 HydrophobicContact CD2-CD1 3.65Å; Y230-I283 HydrophobicContact CE1-CD1 3.95Å; Y230-I283 HydrophobicContact CE2-CD1 4.06Å; Y230-I283 HydrophobicContact CG-CD1 3.34Å; I246-I283 HydrophobicContact CD1-CG2 3.97Å; I246-I283 HydrophobicContact CG2-CD1 4.2Å; L263-I283 HydrophobicContact CD1-CD1 3.76Å; L273-I283 HydrophobicContact CD2-CG2 4.25Å; L276-I283 HydrophobicContact CD1-CD1 4.12Å; L276-I283 HydrophobicContact CD1-CG1 3.51Å; I283-S299 CarbonylContact O-C 3.55Å; I283-S299 VanDerWaalsContact O-CA 3.24Å; I283-S299 WeakPolarHBondContact O-CA 3.37Å; I283-V300 HydrophobicContact CB-CG1 4.11Å; I283-V300 PolarHBondContact N-O 3.33Å; I283-V300 PolarHBondContact O-N 3.08Å; I283-L302 HydrophobicContact CD1-CD2 3.41Å; I283-L302 VanDerWaalsContact CD1-CD2 3.41Å; I283-L302 HydrophobicContact CG1-CD2 3.61Å
284	Y	96.2	Very high	93.1	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.2	173.7	-56.2	-79.9	0	0	0	110.3	C274 A275 D277 K282 Y298 I311 F326 M350	C274-Y284 WeakPolarHBondContact CB-O 3.45Å; C274-Y284 PolarHBondContact N-O 3.04Å; A275-Y284 HydrophobicContact CB-CD2 4.06Å; A275-Y284 PolarHBondContact N-O 2.64Å; A275-Y284 PolarHBondContact O-N 2.73Å; D277-Y284 HydrophobicContact CB-CE2 3.84Å; K282-Y284 HydrophobicContact CB-CE2 4.4Å; Y284-Y298 VanDerWaalsContact CA-O 3.3Å; Y284-Y298 WeakPolarHBondContact CA-O 3.4Å; Y284-I311 HydrophobicContact CD1-CD1 3.59Å; Y284-I311 HydrophobicContact CE1-CD1 3.73Å; Y284-F326 VanDerWaalsContact CB-CZ 3.44Å; Y284-F326 HydrophobicContact CD1-CE1 4.16Å; Y284-F326 AromaticContact CD1-CZ 3.91Å; Y284-F326 HydrophobicContact CD1-CZ 3.91Å; Y284-F326 HydrophobicContact CD2-CD1 4.46Å; Y284-F326 AromaticContact CD2-CE1 3.77Å; Y284-F326 HydrophobicContact CD2-CE1 3.77Å; Y284-F326 AromaticContact CD2-CZ 3.98Å; Y284-F326 HydrophobicContact CD2-CZ 3.98Å; Y284-F326 HydrophobicContact CE2-CE1 4.23Å; Y284-F326 AromaticContact CG-CE1 3.73Å; Y284-F326 HydrophobicContact CG-CE1 3.73Å; Y284-F326 HydrophobicContact CG-CE2 4.31Å; Y284-F326 AromaticContact CG-CZ 3.48Å; Y284-F326 HydrophobicContact CG-CZ 3.48Å; Y284-F326 VanDerWaalsContact CG-CZ 3.48Å; Y284-M350 HydrophobicContact CD1-CE 4.34Å; Y284-M350 HydrophobicContact CE1-CE 3.39Å; Y284-M350 HydrophobicContact CE2-CE 4.14Å; Y284-M350 WeakPolarHBondContact OH-CE 3.46Å
285	F	96.3	Very high	93.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	158	-173.3	63.8	-81.6	0	0	0	112.1	I246 T264 W268 V270 L272 L273 Y298 V300	I246-F285 HydrophobicContact CD1-CB 4.05Å; I246-F285 HydrophobicContact CD1-CD1 3.5Å; I246-F285 HydrophobicContact CD1-CD2 4.17Å; I246-F285 HydrophobicContact CD1-CE1 3.9Å; I246-F285 HydrophobicContact CD1-CG 3.65Å; I246-F285 HydrophobicContact CD1-CZ 4.38Å; T264-F285 HydrophobicContact CG2-CE1 4.42Å; T264-F285 HydrophobicContact CG2-CE2 4.46Å; T264-F285 HydrophobicContact CG2-CZ 3.97Å; W268-F285 HydrophobicContact CH2-CE2 4.11Å; W268-F285 HydrophobicContact CH2-CZ 4.45Å; W268-F285 HydrophobicContact CZ3-CE2 4.03Å; V270-F285 HydrophobicContact CB-CD2 4.43Å; V270-F285 HydrophobicContact CG1-CB 4.11Å; V270-F285 HydrophobicContact CG1-CD2 3.86Å; V270-F285 HydrophobicContact CG1-CG 4.31Å; V270-F285 HydrophobicContact CG2-CD2 3.94Å; V270-F285 HydrophobicContact CG2-CE2 4.02Å; L272-F285 CarbonylContact O-C 3.6Å; L272-F285 VanDerWaalsContact O-CA 3.23Å; L272-F285 WeakPolarHBondContact O-CA 3.34Å; L272-F285 VanDerWaalsContact O-CB 3.31Å; L272-F285 WeakPolarHBondContact O-CB 3.26Å; L273-F285 HydrophobicContact CD2-CB 4.11Å; F285-Y298 HydrophobicContact CE2-CG 4.35Å; F285-Y298 HydrophobicContact CZ-CG 4.3Å; F285-Y298 PolarHBondContact N-O 3.08Å; F285-Y298 PolarHBondContact O-N 3Å; F285-V300 HydrophobicContact CD1-CG1 4.29Å; F285-V300 HydrophobicContact CE1-CB 3.86Å; F285-V300 HydrophobicContact CE1-CG1 3.79Å
286	L	95.4	Very high	93.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.1	169	-63.4	174.3	0	0	0	110	T271 L272 H296 L297	T271-L286 PolarHBondContact N-O 3.42Å; T271-L286 WeakPolarHBondContact OG1-CB 3.27Å; T271-L286 PolarHBondContact OG1-O 3.06Å; L272-L286 HydrophobicContact CB-CB 4.26Å; L272-L286 HydrophobicContact CB-CD1 4.18Å; L272-L286 HydrophobicContact CB-CG 4.46Å; L272-L286 HydrophobicContact CD2-CD1 4.03Å; L272-L286 PolarHBondContact O-N 3.43Å; L286-H296 WeakPolarHBondContact CA-O 3.46Å; L286-L297 HydrophobicContact CD2-CB 4.19Å; L286-L297 HydrophobicContact CD2-CD1 4.38Å
287	S	94.8	Very high	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	167.2	176.8	82.7	0	0	0	0	113.6	D269 E289 H296 Y298	D269-S287 VanDerWaalsContact O-CA 3.26Å; D269-S287 WeakPolarHBondContact O-CA 3.05Å; D269-S287 WeakPolarHBondContact O-CB 3.49Å; S287-E289 WeakPolarHBondContact OG-CB 3.37Å; S287-E289 PolarHBondContact OG-N 3.37Å; S287-H296 PolarHBondContact N-O 3.36Å; S287-H296 VanDerWaalsContact N-O 3.08Å; S287-H296 PolarHBondContact O-N 3.29Å; S287-Y298 WeakPolarHBondContact OG-CD2 3.27Å; S287-Y298 WeakPolarHBondContact OG-CE2 3.27Å
288	T	93.3	Very high	93.7	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	19%	0.188	C	C	.	.	S	Bend	trans	-97.2	21.7	171.8	76.2	0	0	0	0	112.4	W268 D269 T271 K290 S291 R295 V448	W268-T288 WeakPolarHBondContact CB-OG1 3.28Å; D269-T288 PolarHBondContact N-OG1 3.44Å; D269-T288 PolarHBondContact O-N 3.43Å; T271-T288 HydrophobicContact CG2-CG2 3.87Å; T288-K290 PolarHBondContact O-N 2.84Å; T288-S291 CarbonylContact C-O 3.31Å; T288-S291 WeakPolarHBondContact CA-O 3.47Å; T288-S291 WeakPolarHBondContact CB-O 3.33Å; T288-S291 CarbonylContact O-C 3.54Å; T288-S291 VanDerWaalsContact O-O 3.08Å; T288-R295 VanDerWaalsContact CG2-CZ 3.41Å; T288-V448 HydrophobicContact CG2-CG1 3.93Å
289	E	94.4	Very high	93.9	Very high	57 Å²	57	35 Å²	35	27%	0.266	17%	0.171	S	C	.	.	S	Bend	trans	-64.3	-28.4	-175.1	-177.6	164.8	-157.6	0	0	112.2	W268 S287 Y298 R308	W268-E289 HydrophobicContact CB-CB 4.43Å; W268-E289 HydrophobicContact CD2-CB 3.64Å; W268-E289 HydrophobicContact CD2-CG 4.04Å; W268-E289 VanDerWaalsContact CE2-CD 3.48Å; W268-E289 HydrophobicContact CE3-CB 4.03Å; W268-E289 HydrophobicContact CG-CB 3.81Å; W268-E289 HydrophobicContact CG-CG 4.13Å; W268-E289 HydrophobicContact CZ2-CB 4.33Å; W268-E289 VanDerWaalsContact CZ2-CD 3.44Å; W268-E289 HydrophobicContact CZ2-CG 4.16Å; W268-E289 WeakPolarHBondContact CZ2-OE2 3.41Å; W268-E289 HydrophobicContact CZ3-CB 4.48Å; S287-E289 WeakPolarHBondContact OG-CB 3.37Å; S287-E289 PolarHBondContact OG-N 3.37Å; E289-Y298 HydrophobicContact CB-CE1 4.37Å; E289-Y298 HydrophobicContact CB-CE2 4.22Å; E289-R308 IonicContact OE1-CZ 2.77Å; E289-R308 IonicContact OE1-NE 3.69Å; E289-R308 PolarHBondContact OE1-NE 3.46Å; E289-R308 VanDerWaalsContact OE1-NE 3.16Å; E289-R308 IonicContact OE1-NH2 3.53Å; E289-R308 PolarHBondContact OE1-NH2 3.02Å; E289-R308 IonicContact OE2-NE 2.73Å; E289-R308 PolarHBondContact OE2-NE 3.41Å
290	K	93.1	Very high	94.2	Very high	140 Å²	140	25 Å²	25	61%	0.609	13%	0.128	S	C	*	.	S	Bend	trans	-79.5	-51.1	179	-176.2	63.1	179.4	177.7	0	112.5	T288 H296 Y298	T288-K290 PolarHBondContact O-N 2.84Å; K290-H296 VanDerWaalsContact CB-CD2 3.46Å; K290-H296 WeakPolarHBondContact CB-CD2 3.43Å; K290-Y298 PolarHBondContact N-OH 3.14Å
291	S	90.4	Very high	94.4	Very high	34 Å²	34	24.5 Å²	24.5	24%	0.238	12%	0.118	C	C	.	.			trans	-154.8	162.5	171.4	71.2	0	0	0	0	109.5	T288 E293 S294	T288-S291 CarbonylContact C-O 3.31Å; T288-S291 WeakPolarHBondContact CA-O 3.47Å; T288-S291 WeakPolarHBondContact CB-O 3.33Å; T288-S291 CarbonylContact O-C 3.54Å; T288-S291 VanDerWaalsContact O-O 3.08Å; S291-E293 VanDerWaalsContact C-N 3.27Å; S291-E293 VanDerWaalsContact CB-OE2 3.31Å; S291-E293 WeakPolarHBondContact CB-OE2 3.47Å; S291-E293 PolarHBondContact O-N 3.11Å; S291-E293 PolarHBondContact OG-OE2 2.84Å; S291-S294 PolarHBondContact N-OG 3.43Å; S291-S294 PolarHBondContact O-OG 3.17Å; S291-S294 VanDerWaalsContact O-OG 3.14Å; S291-S294 WeakPolarHBondContact OG-CB 3.39Å; S291-S294 PolarHBondContact OG-N 3.45Å; S291-S294 PolarHBondContact OG-OG 3.4Å
292	R	87.9	Confident	94.3	Very high	67 Å²	67	24.4 Å²	24.4	25%	0.253	11%	0.113	S	C	.	.	S	Bend	trans	-70.8	-29.5	-175.8	-66.8	177	177.6	168.8	6.3	111.3	R295 D388 H390 Q417 G449	R292-R295 PolarHBondContact O-NH1 3.47Å; R292-R295 VanDerWaalsContact O-NH1 3.09Å; R292-D388 IonicContact NH1-OD2 2.95Å; R292-D388 PolarHBondContact NH1-OD2 2.74Å; R292-D388 IonicContact NH2-OD2 2.72Å; R292-H390 WeakPolarHBondContact CD-CE1 3.19Å; R292-H390 VanDerWaalsContact CD-NE2 3.27Å; R292-H390 WeakPolarHBondContact CD-NE2 3.46Å; R292-H390 PolarHBondContact NH1-CE1 2.97Å; R292-H390 PolarHBondContact NH1-NE2 3.3Å; R292-Q417 PolarHBondContact O-NE2 3.09Å; R292-G449 PolarHBondContact NE-O 2.81Å
293	E	90.5	Very high	93.9	Very high	27 Å²	27	27.5 Å²	27.5	13%	0.126	13%	0.133	C	C	.	.	S	Bend	trans	-89.5	-18.2	-174	-47.7	78.8	-168.5	0	0	112.5	S291 F321 F379 V419 E421	S291-E293 VanDerWaalsContact C-N 3.27Å; S291-E293 VanDerWaalsContact CB-OE2 3.31Å; S291-E293 WeakPolarHBondContact CB-OE2 3.47Å; S291-E293 PolarHBondContact O-N 3.11Å; S291-E293 PolarHBondContact OG-OE2 2.84Å; E293-F321 WeakPolarHBondContact O-CD2 3.42Å; E293-F379 HydrophobicContact CB-CD1 4.31Å; E293-F379 HydrophobicContact CB-CE1 4.04Å; E293-F379 HydrophobicContact CB-CZ 4.34Å; E293-F379 HydrophobicContact CG-CD1 3.63Å; E293-F379 HydrophobicContact CG-CE1 3.84Å; E293-F379 HydrophobicContact CG-CG 4.13Å; E293-V419 HydrophobicContact CG-CG1 4.01Å; E293-E421 HydrophobicContact CB-CG 3.96Å; E293-E421 PolarHBondContact O-N 3.07Å
294	S	92.8	Very high	93.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.163	C	C	.	.			trans	-95.6	165.4	180	65.9	0	0	0	0	112.4	S291 G320	S291-S294 PolarHBondContact N-OG 3.43Å; S291-S294 PolarHBondContact O-OG 3.17Å; S291-S294 VanDerWaalsContact O-OG 3.14Å; S291-S294 WeakPolarHBondContact OG-CB 3.39Å; S291-S294 PolarHBondContact OG-N 3.45Å; S291-S294 PolarHBondContact OG-OG 3.4Å; S294-G320 WeakPolarHBondContact CA-O 3.47Å; S294-G320 WeakPolarHBondContact CB-O 3.34Å
295	R	94.9	Very high	92.7	Very high	15 Å²	15	36.7 Å²	36.7	6%	0.057	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-136.9	114.5	172	-71.4	-61.7	-178	-82.5	2.6	108.9	T288 R292 G320 F321 F322	T288-R295 VanDerWaalsContact CG2-CZ 3.41Å; R292-R295 PolarHBondContact O-NH1 3.47Å; R292-R295 VanDerWaalsContact O-NH1 3.09Å; R295-G320 CarbonylContact C-O 2.95Å; R295-G320 PolarHBondContact N-O 2.81Å; R295-F321 HydrophobicContact CB-CD1 4.3Å; R295-F321 HydrophobicContact CB-CD2 4.09Å; R295-F321 HydrophobicContact CB-CE1 4.4Å; R295-F321 HydrophobicContact CB-CE2 4.16Å; R295-F321 HydrophobicContact CB-CG 4.19Å; R295-F321 HydrophobicContact CB-CZ 4.34Å; R295-F321 HydrophobicContact CG-CD1 4.35Å; R295-F321 HydrophobicContact CG-CD2 3.76Å; R295-F321 HydrophobicContact CG-CE1 4.04Å; R295-F321 HydrophobicContact CG-CE2 3.35Å; R295-F321 HydrophobicContact CG-CG 4.26Å; R295-F321 HydrophobicContact CG-CZ 3.54Å; R295-F322 VanDerWaalsContact O-CB 3.26Å; R295-F322 WeakPolarHBondContact O-CB 3.15Å; R295-F322 VanDerWaalsContact O-CD2 3.23Å; R295-F322 WeakPolarHBondContact O-CD2 3.36Å; R295-F322 PolarHBondContact O-N 2.84Å
296	H	96.9	Very high	92.3	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.06	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.7	-179.6	-74.4	-81.6	0	0	0	111.4	L286 S287 K290 Y298 S312 G320 F322	L286-H296 WeakPolarHBondContact CA-O 3.46Å; S287-H296 PolarHBondContact N-O 3.36Å; S287-H296 VanDerWaalsContact N-O 3.08Å; S287-H296 PolarHBondContact O-N 3.29Å; K290-H296 VanDerWaalsContact CB-CD2 3.46Å; K290-H296 WeakPolarHBondContact CB-CD2 3.43Å; H296-Y298 HydrophobicContact CB-CD2 4.16Å; H296-Y298 HydrophobicContact CB-CE2 3.47Å; H296-Y298 VanDerWaalsContact CB-CE2 3.47Å; H296-Y298 VanDerWaalsContact O-CD2 3.22Å; H296-Y298 WeakPolarHBondContact O-CD2 3.49Å; H296-S312 WeakPolarHBondContact CA-OG 3.41Å; H296-S312 VanDerWaalsContact CB-OG 3.29Å; H296-S312 WeakPolarHBondContact CB-OG 3.48Å; H296-S312 PolarHBondContact ND1-OG 2.8Å; H296-S312 VanDerWaalsContact ND1-OG 3.08Å; H296-G320 PolarHBondContact NE2-O 3.22Å; H296-F322 AromaticContact CE1-CE2 3.68Å; H296-F322 AromaticContact ND1-CD2 3.66Å; H296-F322 AromaticContact ND1-CE2 3.55Å
297	L	97.3	Very high	92.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.1	171.4	-178.7	64.6	0	0	0	110.3	L286 I311 S312 A324 F326 F333 L335	L286-L297 HydrophobicContact CD2-CB 4.19Å; L286-L297 HydrophobicContact CD2-CD1 4.38Å; L297-I311 HydrophobicContact CD2-CB 4.25Å; L297-I311 HydrophobicContact CD2-CD1 4.28Å; L297-I311 HydrophobicContact CD2-CG2 4.22Å; L297-I311 HydrophobicContact CG-CB 4.24Å; L297-I311 HydrophobicContact CG-CD1 4.23Å; L297-I311 PolarHBondContact O-N 2.7Å; L297-S312 PolarHBondContact N-OG 2.93Å; L297-S312 PolarHBondContact O-N 3.39Å; L297-A324 HydrophobicContact CD1-CB 3.9Å; L297-A324 HydrophobicContact CD2-CB 3.98Å; L297-A324 HydrophobicContact CG-CB 4.42Å; L297-F326 HydrophobicContact CD1-CE2 4.11Å; L297-F326 HydrophobicContact CD1-CZ 4.24Å; L297-F326 HydrophobicContact CD2-CZ 4.21Å; L297-F333 HydrophobicContact CD2-CD2 3.98Å; L297-F333 HydrophobicContact CD2-CE2 3.77Å; L297-F333 HydrophobicContact CD2-CZ 4.3Å; L297-L335 HydrophobicContact CB-CD1 4.5Å; L297-L335 HydrophobicContact CD2-CD1 4.36Å
298	Y	97.3	Very high	92.2	Very high	13 Å²	13	49.1 Å²	49.1	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.1	176.6	-70.9	-97.8	0	0	0	111.5	Y284 F285 S287 E289 K290 H296 R309 C310	Y284-Y298 VanDerWaalsContact CA-O 3.3Å; Y284-Y298 WeakPolarHBondContact CA-O 3.4Å; F285-Y298 HydrophobicContact CE2-CG 4.35Å; F285-Y298 HydrophobicContact CZ-CG 4.3Å; F285-Y298 PolarHBondContact N-O 3.08Å; F285-Y298 PolarHBondContact O-N 3Å; S287-Y298 WeakPolarHBondContact OG-CD2 3.27Å; S287-Y298 WeakPolarHBondContact OG-CE2 3.27Å; E289-Y298 HydrophobicContact CB-CE1 4.37Å; E289-Y298 HydrophobicContact CB-CE2 4.22Å; K290-Y298 PolarHBondContact N-OH 3.14Å; H296-Y298 HydrophobicContact CB-CD2 4.16Å; H296-Y298 HydrophobicContact CB-CE2 3.47Å; H296-Y298 VanDerWaalsContact CB-CE2 3.47Å; H296-Y298 VanDerWaalsContact O-CD2 3.22Å; H296-Y298 WeakPolarHBondContact O-CD2 3.49Å; Y298-R309 CarbonylContact C-O 3.6Å; Y298-R309 VanDerWaalsContact CA-O 3.28Å; Y298-R309 WeakPolarHBondContact CA-O 3.4Å; Y298-C310 VanDerWaalsContact CD1-CA 3.48Å; Y298-C310 HydrophobicContact CD1-CB 3.77Å; Y298-C310 HydrophobicContact CE1-CB 3.37Å
299	S	96.1	Very high	92.2	Very high	5 Å²	5	57 Å²	57	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.9	163.3	64.4	0	0	0	0	111.1	I283 R308 R309	I283-S299 CarbonylContact O-C 3.55Å; I283-S299 VanDerWaalsContact O-CA 3.24Å; I283-S299 WeakPolarHBondContact O-CA 3.37Å; S299-R308 VanDerWaalsContact O-CA 3.32Å; S299-R308 WeakPolarHBondContact O-CA 3.23Å; S299-R309 PolarHBondContact N-O 3.11Å; S299-R309 PolarHBondContact O-N 2.82Å
300	V	96.9	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.7	168.3	65.7	0	0	0	0	110.4	I246 L263 T264 K282 I283 F285 F306 R308	I246-V300 HydrophobicContact CD1-CG1 4.03Å; L263-V300 HydrophobicContact CB-CG1 4.4Å; L263-V300 HydrophobicContact CB-CG2 4.43Å; L263-V300 HydrophobicContact CD1-CG1 4.47Å; T264-V300 HydrophobicContact CG2-CG1 4.38Å; T264-V300 HydrophobicContact CG2-CG2 4.44Å; K282-V300 WeakPolarHBondContact CA-O 3.37Å; I283-V300 HydrophobicContact CB-CG1 4.11Å; I283-V300 PolarHBondContact N-O 3.33Å; I283-V300 PolarHBondContact O-N 3.08Å; F285-V300 HydrophobicContact CD1-CG1 4.29Å; F285-V300 HydrophobicContact CE1-CB 3.86Å; F285-V300 HydrophobicContact CE1-CG1 3.79Å; V300-F306 HydrophobicContact CG2-CB 3.94Å; V300-R308 HydrophobicContact CB-CG 4.11Å; V300-R308 HydrophobicContact CG2-CG 3.84Å
301	D	95.1	Very high	92.4	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.214	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.5	173.4	-61.6	-31.5	0	0	0	111.1	K282 F306 Q307	K282-D301 WeakPolarHBondContact CE-OD1 3.28Å; K282-D301 IonicContact NZ-OD1 3.05Å; D301-F306 WeakPolarHBondContact O-CD1 3.34Å; D301-Q307 PolarHBondContact N-O 3.31Å; D301-Q307 WeakPolarHBondContact OD2-CB 3.38Å
302	L	90.8	Very high	92.6	Very high	16 Å²	16	48.7 Å²	48.7	8%	0.084	25%	0.248	C	C	.	.	S	Bend	trans	-76.4	-29.1	178.8	-68.6	179	0	0	0	113.1	Y230 L263 L276 G281 I283 F306	Y230-L302 HydrophobicContact CE1-CD2 3.81Å; Y230-L302 HydrophobicContact CE2-CD2 4.04Å; Y230-L302 VanDerWaalsContact CZ-CD2 3.49Å; Y230-L302 WeakPolarHBondContact OH-CD2 3.4Å; L263-L302 HydrophobicContact CD1-CD2 3.95Å; L276-L302 HydrophobicContact CD1-CD1 3.87Å; L276-L302 HydrophobicContact CD1-CD2 4.32Å; G281-L302 WeakPolarHBondContact O-CB 3.49Å; G281-L302 WeakPolarHBondContact O-CG 3.44Å; G281-L302 PolarHBondContact O-N 3.37Å; I283-L302 HydrophobicContact CD1-CD2 3.41Å; I283-L302 VanDerWaalsContact CD1-CD2 3.41Å; I283-L302 HydrophobicContact CG1-CD2 3.61Å; L302-F306 WeakPolarHBondContact O-CE1 3.23Å
303	N	86.4	Confident	92.9	Very high	128 Å²	128	47.8 Å²	47.8	68%	0.684	25%	0.251	S	S	*	.	S	Bend	trans	-122.8	162.6	-174.1	-69.1	-34.7	0	0	0	110.9
304	G	82.4	Confident	92.8	Very high	61 Å²	61	50.2 Å²	50.2	63%	0.629	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-133.2	178.8	0	0	0	0	0	112.8	F306	G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 2.94Å
305	V	83.2	Confident	92.7	Very high	142 Å²	142	51.6 Å²	51.6	86%	0.861	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	4.4	-170.6	-154.5	0	0	0	0	112.8	Q307	V305-Q307 PolarHBondContact O-N 2.88Å
306	F	88.8	Confident	92.5	Very high	43 Å²	43	51.4 Å²	51.4	19%	0.189	29%	0.291	C	S	.	.			trans	52.6	51.3	-176.2	-46.7	-55.3	0	0	0	112.6	R261 L263 V300 D301 L302 G304 R308	R261-F306 HydrophobicContact CG-CZ 4.4Å; R261-F306 VanDerWaalsContact CZ-CZ 3.45Å; R261-F306 VanDerWaalsContact NE-CZ 3.31Å; R261-F306 VanDerWaalsContact NH2-CE1 3.35Å; L263-F306 HydrophobicContact CD2-CD1 3.97Å; L263-F306 HydrophobicContact CD2-CE1 3.45Å; L263-F306 VanDerWaalsContact CD2-CE1 3.45Å; L263-F306 HydrophobicContact CD2-CZ 3.85Å; V300-F306 HydrophobicContact CG2-CB 3.94Å; D301-F306 WeakPolarHBondContact O-CD1 3.34Å; L302-F306 WeakPolarHBondContact O-CE1 3.23Å; G304-F306 VanDerWaalsContact C-N 3.27Å; G304-F306 PolarHBondContact O-N 2.94Å; F306-R308 PolarHBondContact O-N 3.38Å
307	Q	91.8	Very high	92.1	Very high	140 Å²	140	58 Å²	58	65%	0.654	33%	0.326	S	S	*	.			trans	-62.4	125.1	-178.6	-171.6	174.5	0.2	0	0	109.4	D301 V305	D301-Q307 PolarHBondContact N-O 3.31Å; D301-Q307 WeakPolarHBondContact OD2-CB 3.38Å; V305-Q307 PolarHBondContact O-N 2.88Å
308	R	95.2	Very high	91.7	Very high	86 Å²	86	60.5 Å²	60.5	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.3	175.7	-64.2	-170.7	-57.3	-80	5.2	110.2	E289 S299 V300 F306	E289-R308 IonicContact OE1-CZ 2.77Å; E289-R308 IonicContact OE1-NE 3.69Å; E289-R308 PolarHBondContact OE1-NE 3.46Å; E289-R308 VanDerWaalsContact OE1-NE 3.16Å; E289-R308 IonicContact OE1-NH2 3.53Å; E289-R308 PolarHBondContact OE1-NH2 3.02Å; E289-R308 IonicContact OE2-NE 2.73Å; E289-R308 PolarHBondContact OE2-NE 3.41Å; S299-R308 VanDerWaalsContact O-CA 3.32Å; S299-R308 WeakPolarHBondContact O-CA 3.23Å; V300-R308 HydrophobicContact CB-CG 4.11Å; V300-R308 HydrophobicContact CG2-CG 3.84Å; F306-R308 PolarHBondContact O-N 3.38Å
309	R	95	Very high	91.5	Very high	170 Å²	170	60.9 Å²	60.9	64%	0.642	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.8	175.3	-178.6	178	177.2	-178.7	-0.9	109.9	Y298 S299	Y298-R309 CarbonylContact C-O 3.6Å; Y298-R309 VanDerWaalsContact CA-O 3.28Å; Y298-R309 WeakPolarHBondContact CA-O 3.4Å; S299-R309 PolarHBondContact N-O 3.11Å; S299-R309 PolarHBondContact O-N 2.82Å
310	C	96	Very high	91.4	Very high	33 Å²	33	60.9 Å²	60.9	22%	0.223	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.1	168.3	-167.5	0	0	0	0	109.7	Y298 C313	Y298-C310 VanDerWaalsContact CD1-CA 3.48Å; Y298-C310 HydrophobicContact CD1-CB 3.77Å; Y298-C310 HydrophobicContact CE1-CB 3.37Å; C310-C313 HydrophobicContact CB-CB 3.69Å; C310-C313 WeakPolarHBondContact CB-SG 3.33Å; C310-C313 WeakPolarHBondContact SG-CB 3.45Å; C310-C313 PolarHBondContact SG-N 3.2Å; C310-C313 CovalentContact SG-SG 2.03Å; C310-C313 PolarHBondContact SG-SG 2.85Å
311	I	95	Very high	91.4	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-91.2	-43.9	178.9	-58.7	177.3	0	0	0	110.2	Y284 L297 F333 P353	Y284-I311 HydrophobicContact CD1-CD1 3.59Å; Y284-I311 HydrophobicContact CE1-CD1 3.73Å; L297-I311 HydrophobicContact CD2-CB 4.25Å; L297-I311 HydrophobicContact CD2-CD1 4.28Å; L297-I311 HydrophobicContact CD2-CG2 4.22Å; L297-I311 HydrophobicContact CG-CB 4.24Å; L297-I311 HydrophobicContact CG-CD1 4.23Å; L297-I311 PolarHBondContact O-N 2.7Å; I311-F333 HydrophobicContact CG2-CZ 3.95Å; I311-P353 HydrophobicContact CG2-CB 4.12Å; I311-P353 HydrophobicContact CG2-CG 4.34Å
312	S	95	Very high	91.5	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	35%	0.353	C	S	.	.	S	Bend	trans	-82.8	-12.5	-175.6	61.1	0	0	0	0	114.9	H296 L297 G314 L315	H296-S312 WeakPolarHBondContact CA-OG 3.41Å; H296-S312 VanDerWaalsContact CB-OG 3.29Å; H296-S312 WeakPolarHBondContact CB-OG 3.48Å; H296-S312 PolarHBondContact ND1-OG 2.8Å; H296-S312 VanDerWaalsContact ND1-OG 3.08Å; L297-S312 PolarHBondContact N-OG 2.93Å; L297-S312 PolarHBondContact O-N 3.39Å; S312-G314 PolarHBondContact O-N 3.08Å; S312-L315 WeakPolarHBondContact O-CB 3.45Å; S312-L315 PolarHBondContact O-N 3.42Å
313	C	93.6	Very high	91.7	Very high	48 Å²	48	63.6 Å²	63.6	32%	0.324	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	119.4	-175.9	-69.1	0	0	0	0	110.8	C310 L315	C310-C313 HydrophobicContact CB-CB 3.69Å; C310-C313 WeakPolarHBondContact CB-SG 3.33Å; C310-C313 WeakPolarHBondContact SG-CB 3.45Å; C310-C313 PolarHBondContact SG-N 3.2Å; C310-C313 CovalentContact SG-SG 2.03Å; C310-C313 PolarHBondContact SG-SG 2.85Å; C313-L315 PolarHBondContact O-N 3.09Å
314	G	88.6	Confident	92.1	Very high	78 Å²	78	57.8 Å²	57.8	80%	0.804	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	17	-178.9	0	0	0	0	0	114.1	S312	S312-G314 PolarHBondContact O-N 3.08Å
315	L	91.5	Very high	92.7	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.157	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-38.2	-178.8	-171.4	63.4	0	0	0	112.5	S312 C313 L335 H348	S312-L315 WeakPolarHBondContact O-CB 3.45Å; S312-L315 PolarHBondContact O-N 3.42Å; C313-L315 PolarHBondContact O-N 3.09Å; L315-L335 HydrophobicContact CD2-CD2 3.89Å; L315-H348 VanDerWaalsContact CD2-CE1 3.42Å; L315-H348 WeakPolarHBondContact CD2-CE1 3.43Å
316	I	90.5	Very high	93.3	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.062	29%	0.289	C	S	.	.	S	Bend	trans	-131.1	121.4	179.2	-54.9	-179.8	0	0	0	107.8	C319 F322 L335 T346	I316-C319 HydrophobicContact CB-CB 4.11Å; I316-C319 HydrophobicContact CG2-CB 4.18Å; I316-C319 WeakPolarHBondContact CG2-SG 3.39Å; I316-C319 PolarHBondContact O-N 2.87Å; I316-F322 HydrophobicContact CD1-CE1 4.28Å; I316-L335 HydrophobicContact CD1-CD2 4.22Å; I316-T346 HydrophobicContact CD1-CG2 3.95Å; I316-T346 WeakPolarHBondContact CD1-OG1 3.41Å
317	D	88.4	Confident	93.5	Very high	150 Å²	150	52.1 Å²	52.1	80%	0.802	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	138	179.7	-67.2	-31.6	0	0	0	111.5	C319	D317-C319 VanDerWaalsContact C-N 3.28Å; D317-C319 PolarHBondContact O-N 2.85Å
318	G	87.7	Confident	93.3	Very high	53 Å²	53	51.6 Å²	51.6	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	12.7	-179.2	0	0	0	0	0	114.9	P340 G341	G318-P340 WeakPolarHBondContact O-CD 3.41Å; G318-G341 PolarHBondContact O-N 2.97Å
319	C	94.2	Very high	93.1	Very high	21 Å²	21	52.1 Å²	52.1	14%	0.142	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.5	179.1	-67.9	0	0	0	0	112.1	I316 D317 F322 C337 G339	I316-C319 HydrophobicContact CB-CB 4.11Å; I316-C319 HydrophobicContact CG2-CB 4.18Å; I316-C319 WeakPolarHBondContact CG2-SG 3.39Å; I316-C319 PolarHBondContact O-N 2.87Å; D317-C319 VanDerWaalsContact C-N 3.28Å; D317-C319 PolarHBondContact O-N 2.85Å; C319-F322 HydrophobicContact CB-CE1 3.71Å; C319-F322 HydrophobicContact CB-CE2 4.13Å; C319-F322 HydrophobicContact CB-CZ 3.33Å; C319-C337 HydrophobicContact CB-CB 3.83Å; C319-C337 WeakPolarHBondContact CB-SG 3.22Å; C319-C337 WeakPolarHBondContact SG-CB 3.45Å; C319-C337 CovalentContact SG-SG 2.01Å; C319-C337 PolarHBondContact SG-SG 2.83Å; C319-G339 CarbonylContact C-O 3.6Å; C319-G339 WeakPolarHBondContact CA-O 3.28Å
320	G	94.2	Very high	92.9	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	-18.6	175.8	0	0	0	0	0	113.1	S294 R295 H296 G339 E421	S294-G320 WeakPolarHBondContact CA-O 3.47Å; S294-G320 WeakPolarHBondContact CB-O 3.34Å; R295-G320 CarbonylContact C-O 2.95Å; R295-G320 PolarHBondContact N-O 2.81Å; H296-G320 PolarHBondContact NE2-O 3.22Å; G320-G339 PolarHBondContact N-O 2.93Å; G320-E421 WeakPolarHBondContact CA-OE2 3.16Å
321	F	95.9	Very high	92.6	Very high	26 Å²	26	47.9 Å²	47.9	11%	0.114	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.9	179.8	-158.2	-79.2	0	0	0	111.2	E293 R295 L338 G339 T420 E421 E422	E293-F321 WeakPolarHBondContact O-CD2 3.42Å; R295-F321 HydrophobicContact CB-CD1 4.3Å; R295-F321 HydrophobicContact CB-CD2 4.09Å; R295-F321 HydrophobicContact CB-CE1 4.4Å; R295-F321 HydrophobicContact CB-CE2 4.16Å; R295-F321 HydrophobicContact CB-CG 4.19Å; R295-F321 HydrophobicContact CB-CZ 4.34Å; R295-F321 HydrophobicContact CG-CD1 4.35Å; R295-F321 HydrophobicContact CG-CD2 3.76Å; R295-F321 HydrophobicContact CG-CE1 4.04Å; R295-F321 HydrophobicContact CG-CE2 3.35Å; R295-F321 HydrophobicContact CG-CG 4.26Å; R295-F321 HydrophobicContact CG-CZ 3.54Å; F321-L338 HydrophobicContact CD1-CB 4.01Å; F321-L338 HydrophobicContact CD1-CD1 4.14Å; F321-L338 HydrophobicContact CE1-CD1 4.24Å; F321-L338 PolarHBondContact O-N 2.89Å; F321-G339 PolarHBondContact N-O 3.19Å; F321-T420 WeakPolarHBondContact CD2-OG1 3.35Å; F321-T420 WeakPolarHBondContact CE2-OG1 3.33Å; F321-E421 HydrophobicContact CB-CB 4.47Å; F321-E422 HydrophobicContact CD1-CB 4.23Å; F321-E422 HydrophobicContact CD1-CG 4.4Å; F321-E422 HydrophobicContact CD2-CB 4.32Å; F321-E422 HydrophobicContact CE1-CB 4.38Å; F321-E422 HydrophobicContact CE1-CG 4.48Å; F321-E422 HydrophobicContact CE2-CB 4.49Å; F321-E422 HydrophobicContact CG-CB 4.17Å; F321-E422 HydrophobicContact CZ-CB 4.5Å
322	F	96.7	Very high	92.6	Very high	3 Å²	3	51 Å²	51	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.8	-174.1	-63.6	-81.3	0	0	0	113.8	R295 H296 I316 C319 L335 Y336 C337	R295-F322 VanDerWaalsContact O-CB 3.26Å; R295-F322 WeakPolarHBondContact O-CB 3.15Å; R295-F322 VanDerWaalsContact O-CD2 3.23Å; R295-F322 WeakPolarHBondContact O-CD2 3.36Å; R295-F322 PolarHBondContact O-N 2.84Å; H296-F322 AromaticContact CE1-CE2 3.68Å; H296-F322 AromaticContact ND1-CD2 3.66Å; H296-F322 AromaticContact ND1-CE2 3.55Å; I316-F322 HydrophobicContact CD1-CE1 4.28Å; C319-F322 HydrophobicContact CB-CE1 3.71Å; C319-F322 HydrophobicContact CB-CE2 4.13Å; C319-F322 HydrophobicContact CB-CZ 3.33Å; F322-L335 HydrophobicContact CB-CD1 4.01Å; F322-L335 HydrophobicContact CD1-CD1 3.83Å; F322-L335 HydrophobicContact CD1-CD2 3.79Å; F322-L335 HydrophobicContact CD1-CG 3.68Å; F322-L335 HydrophobicContact CE1-CD2 3.81Å; F322-L335 HydrophobicContact CE1-CG 4.17Å; F322-L335 HydrophobicContact CG-CD1 4.18Å; F322-Y336 CarbonylContact C-O 3.54Å; F322-Y336 VanDerWaalsContact CA-O 3.25Å; F322-Y336 WeakPolarHBondContact CA-O 3.31Å; F322-C337 HydrophobicContact CD1-CB 4.19Å; F322-C337 HydrophobicContact CE1-CB 3.91Å
323	K	95.7	Very high	92.7	Very high	85 Å²	85	51 Å²	51	37%	0.37	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	160.4	174.7	-174	179.5	-174.4	0	108.6	Y336 L338	K323-Y336 HydrophobicContact CB-CD2 4.48Å; K323-Y336 HydrophobicContact CG-CD2 4.41Å; K323-Y336 PolarHBondContact N-O 3.34Å; K323-Y336 PolarHBondContact O-N 3.48Å; K323-L338 HydrophobicContact CB-CD1 4.11Å
324	A	95.2	Very high	92.8	Very high	6 Å²	6	51.1 Å²	51.1	5%	0.05	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.2	179.3	0	0	0	0	0	111.6	L297 F326 I334 L335	L297-A324 HydrophobicContact CD1-CB 3.9Å; L297-A324 HydrophobicContact CD2-CB 3.98Å; L297-A324 HydrophobicContact CG-CB 4.42Å; A324-F326 HydrophobicContact CB-CE2 4.18Å; A324-I334 WeakPolarHBondContact CA-O 3.08Å; A324-L335 HydrophobicContact CB-CD1 4.19Å
325	I	95.1	Very high	93.2	Very high	74 Å²	74	47.4 Å²	47.4	38%	0.379	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	172.9	-57.4	179.9	0	0	0	108	F333 I334 Y336	I325-F333 CarbonylContact O-C 3.54Å; I325-F333 VanDerWaalsContact O-CA 3.28Å; I325-F333 WeakPolarHBondContact O-CA 3.44Å; I325-I334 PolarHBondContact N-O 2.81Å; I325-I334 PolarHBondContact O-N 3.17Å; I325-Y336 HydrophobicContact CD1-CE2 3.71Å; I325-Y336 HydrophobicContact CG1-CE2 3.99Å
326	F	94.7	Very high	93.5	Very high	26 Å²	26	49 Å²	49	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.2	-177.9	-75.9	-104.9	0	0	0	111.2	C274 A275 Y284 L297 A324 F333 M350	C274-F326 HydrophobicContact CB-CD2 3.79Å; C274-F326 HydrophobicContact CB-CE2 3.59Å; A275-F326 HydrophobicContact CB-CB 3.87Å; A275-F326 HydrophobicContact CB-CD1 3.93Å; A275-F326 HydrophobicContact CB-CD2 3.78Å; A275-F326 HydrophobicContact CB-CE1 4.44Å; A275-F326 HydrophobicContact CB-CE2 4.33Å; A275-F326 HydrophobicContact CB-CG 3.57Å; Y284-F326 VanDerWaalsContact CB-CZ 3.44Å; Y284-F326 HydrophobicContact CD1-CE1 4.16Å; Y284-F326 AromaticContact CD1-CZ 3.91Å; Y284-F326 HydrophobicContact CD1-CZ 3.91Å; Y284-F326 HydrophobicContact CD2-CD1 4.46Å; Y284-F326 AromaticContact CD2-CE1 3.77Å; Y284-F326 HydrophobicContact CD2-CE1 3.77Å; Y284-F326 AromaticContact CD2-CZ 3.98Å; Y284-F326 HydrophobicContact CD2-CZ 3.98Å; Y284-F326 HydrophobicContact CE2-CE1 4.23Å; Y284-F326 AromaticContact CG-CE1 3.73Å; Y284-F326 HydrophobicContact CG-CE1 3.73Å; Y284-F326 HydrophobicContact CG-CE2 4.31Å; Y284-F326 AromaticContact CG-CZ 3.48Å; Y284-F326 HydrophobicContact CG-CZ 3.48Å; Y284-F326 VanDerWaalsContact CG-CZ 3.48Å; L297-F326 HydrophobicContact CD1-CE2 4.11Å; L297-F326 HydrophobicContact CD1-CZ 4.24Å; L297-F326 HydrophobicContact CD2-CZ 4.21Å; A324-F326 HydrophobicContact CB-CE2 4.18Å; F326-F333 HydrophobicContact CD1-CB 3.9Å; F326-F333 HydrophobicContact CD2-CB 4.28Å; F326-F333 HydrophobicContact CE1-CB 3.98Å; F326-F333 HydrophobicContact CE1-CD1 4.34Å; F326-F333 HydrophobicContact CE1-CG 4.32Å; F326-F333 HydrophobicContact CE2-CB 4.34Å; F326-F333 HydrophobicContact CG-CB 4.05Å; F326-F333 HydrophobicContact CZ-CB 4.19Å; F326-F333 HydrophobicContact CZ-CG 4.39Å; F326-M350 HydrophobicContact CE1-CE 4.47Å; F326-M350 HydrophobicContact CE1-SD 3.79Å
327	S	93.9	Very high	93.8	Very high	26 Å²	26	48.5 Å²	48.5	18%	0.182	27%	0.269	C	S	.	.			trans	-60	150.3	166.2	60.5	0	0	0	0	110.8	N329 Q330 T331 H332	S327-N329 PolarHBondContact O-N 3.08Å; S327-N329 PolarHBondContact OG-OD1 3.44Å; S327-Q330 PolarHBondContact O-N 2.87Å; S327-Q330 PolarHBondContact OG-N 2.94Å; S327-T331 PolarHBondContact OG-N 2.95Å; S327-T331 VanDerWaalsContact OG-N 3.08Å; S327-H332 WeakPolarHBondContact CB-O 3.4Å; S327-H332 PolarHBondContact N-O 3.08Å; S327-H332 PolarHBondContact OG-N 3.39Å; S327-H332 VanDerWaalsContact OG-N 3.09Å; S327-H332 PolarHBondContact OG-O 3.49Å
328	P	88.1	Confident	94.2	Very high	129 Å²	129	43.3 Å²	43.3	84%	0.838	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.9	-178.9	-28.3	35.6	0	0	0	115.4	Q330	P328-Q330 PolarHBondContact O-NE2 3.3Å
329	N	89	Confident	94.5	Very high	98 Å²	98	40.8 Å²	40.8	52%	0.524	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.4	177.7	68.4	-0.8	0	0	0	113.7	S327 T331	S327-N329 PolarHBondContact O-N 3.08Å; S327-N329 PolarHBondContact OG-OD1 3.44Å; N329-T331 HydrophobicContact CB-CG2 4.42Å; N329-T331 PolarHBondContact ND2-OG1 2.7Å; N329-T331 PolarHBondContact O-N 2.84Å; N329-T331 VanDerWaalsContact O-N 3.09Å; N329-T331 WeakPolarHBondContact OD1-CB 3.01Å; N329-T331 WeakPolarHBondContact OD1-CG2 3.13Å; N329-T331 PolarHBondContact OD1-N 2.86Å; N329-T331 PolarHBondContact OD1-OG1 3.45Å
330	Q	90.9	Very high	94.5	Very high	58 Å²	58	43 Å²	43	27%	0.271	23%	0.23	S	C	.	.	S	Bend	trans	55.4	26.4	178.6	-56.4	74.5	36.5	0	0	114.5	A275 D277 S327 P328 M350	A275-Q330 HydrophobicContact CB-CG 4.34Å; D277-Q330 HydrophobicContact CB-CB 4.4Å; D277-Q330 HydrophobicContact CB-CG 4.44Å; S327-Q330 PolarHBondContact O-N 2.87Å; S327-Q330 PolarHBondContact OG-N 2.94Å; P328-Q330 PolarHBondContact O-NE2 3.3Å; Q330-M350 VanDerWaalsContact O-CG 3.27Å; Q330-M350 WeakPolarHBondContact O-CG 3.32Å
331	T	91.6	Very high	94.4	Very high	56 Å²	56	44.2 Å²	44.2	34%	0.344	24%	0.242	S	C	.	.	S	Bend	trans	-89.2	-29.3	178.8	58.7	0	0	0	0	113.6	S327 N329 M350	S327-T331 PolarHBondContact OG-N 2.95Å; S327-T331 VanDerWaalsContact OG-N 3.08Å; N329-T331 HydrophobicContact CB-CG2 4.42Å; N329-T331 PolarHBondContact ND2-OG1 2.7Å; N329-T331 PolarHBondContact O-N 2.84Å; N329-T331 VanDerWaalsContact O-N 3.09Å; N329-T331 WeakPolarHBondContact OD1-CB 3.01Å; N329-T331 WeakPolarHBondContact OD1-CG2 3.13Å; N329-T331 PolarHBondContact OD1-N 2.86Å; N329-T331 PolarHBondContact OD1-OG1 3.45Å; T331-M350 WeakPolarHBondContact O-CB 3.31Å; T331-M350 WeakPolarHBondContact O-CG 3.27Å; T331-M350 PolarHBondContact O-N 2.57Å
332	H	94.5	Very high	94.3	Very high	86 Å²	86	44.8 Å²	44.8	40%	0.398	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.9	180	-61.8	79.2	0	0	0	109.8	S327 H348	S327-H332 WeakPolarHBondContact CB-O 3.4Å; S327-H332 PolarHBondContact N-O 3.08Å; S327-H332 PolarHBondContact OG-N 3.39Å; S327-H332 VanDerWaalsContact OG-N 3.09Å; S327-H332 PolarHBondContact OG-O 3.49Å; H332-H348 VanDerWaalsContact CA-O 3.25Å; H332-H348 WeakPolarHBondContact CA-O 3.47Å; H332-H348 WeakPolarHBondContact CB-O 3.2Å
333	F	95.9	Very high	94.3	Very high	1 Å²	1	46 Å²	46	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.3	170.4	63.9	-82.1	0	0	0	110.9	L297 I311 I325 F326 L335 H348 M350 P353	L297-F333 HydrophobicContact CD2-CD2 3.98Å; L297-F333 HydrophobicContact CD2-CE2 3.77Å; L297-F333 HydrophobicContact CD2-CZ 4.3Å; I311-F333 HydrophobicContact CG2-CZ 3.95Å; I325-F333 CarbonylContact O-C 3.54Å; I325-F333 VanDerWaalsContact O-CA 3.28Å; I325-F333 WeakPolarHBondContact O-CA 3.44Å; F326-F333 HydrophobicContact CD1-CB 3.9Å; F326-F333 HydrophobicContact CD2-CB 4.28Å; F326-F333 HydrophobicContact CE1-CB 3.98Å; F326-F333 HydrophobicContact CE1-CD1 4.34Å; F326-F333 HydrophobicContact CE1-CG 4.32Å; F326-F333 HydrophobicContact CE2-CB 4.34Å; F326-F333 HydrophobicContact CG-CB 4.05Å; F326-F333 HydrophobicContact CZ-CB 4.19Å; F326-F333 HydrophobicContact CZ-CG 4.39Å; F333-L335 HydrophobicContact CD2-CB 4.15Å; F333-L335 HydrophobicContact CE2-CB 4.04Å; F333-L335 HydrophobicContact CE2-CD1 4.43Å; F333-L335 HydrophobicContact CE2-CD2 4.47Å; F333-H348 HydrophobicContact CD1-CB 3.91Å; F333-H348 HydrophobicContact CD2-CB 4.13Å; F333-H348 HydrophobicContact CE1-CB 3.41Å; F333-H348 VanDerWaalsContact CE1-CB 3.41Å; F333-H348 HydrophobicContact CE2-CB 3.64Å; F333-H348 AromaticContact CE2-CD2 3.7Å; F333-H348 AromaticContact CE2-CG 3.7Å; F333-H348 HydrophobicContact CG-CB 4.26Å; F333-H348 HydrophobicContact CZ-CB 3.26Å; F333-H348 AromaticContact CZ-CG 3.64Å; F333-H348 PolarHBondContact N-O 3.15Å; F333-H348 PolarHBondContact O-N 3.19Å; F333-M350 HydrophobicContact CD1-CG 4.23Å; F333-M350 HydrophobicContact CD1-SD 3.32Å; F333-M350 WeakPolarHBondContact CD1-SD 3.3Å; F333-M350 HydrophobicContact CE1-SD 3.5Å; F333-M350 WeakPolarHBondContact CE1-SD 3.02Å; F333-M350 HydrophobicContact CG-SD 4.45Å; F333-P353 HydrophobicContact CZ-CB 4.37Å
334	I	97	Very high	94.3	Very high	51 Å²	51	45.7 Å²	45.7	26%	0.262	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.9	169.1	-54	178.1	0	0	0	106.9	A324 I325 Y336 V345 T346 V347	A324-I334 WeakPolarHBondContact CA-O 3.08Å; I325-I334 PolarHBondContact N-O 2.81Å; I325-I334 PolarHBondContact O-N 3.17Å; I334-Y336 HydrophobicContact CB-CE2 4.09Å; I334-Y336 HydrophobicContact CG2-CD2 4.05Å; I334-Y336 HydrophobicContact CG2-CE1 4.49Å; I334-Y336 HydrophobicContact CG2-CE2 3.48Å; I334-Y336 VanDerWaalsContact CG2-CE2 3.48Å; I334-V345 HydrophobicContact CG2-CG1 3.51Å; I334-T346 CarbonylContact C-O 3.48Å; I334-T346 WeakPolarHBondContact CA-O 3.45Å; I334-V347 HydrophobicContact CG1-CG2 4.37Å
335	L	96.8	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.7	175.1	-169.2	68.3	0	0	0	108.9	L297 L315 I316 F322 A324 F333 T346	L297-L335 HydrophobicContact CB-CD1 4.5Å; L297-L335 HydrophobicContact CD2-CD1 4.36Å; L315-L335 HydrophobicContact CD2-CD2 3.89Å; I316-L335 HydrophobicContact CD1-CD2 4.22Å; F322-L335 HydrophobicContact CB-CD1 4.01Å; F322-L335 HydrophobicContact CD1-CD1 3.83Å; F322-L335 HydrophobicContact CD1-CD2 3.79Å; F322-L335 HydrophobicContact CD1-CG 3.68Å; F322-L335 HydrophobicContact CE1-CD2 3.81Å; F322-L335 HydrophobicContact CE1-CG 4.17Å; F322-L335 HydrophobicContact CG-CD1 4.18Å; A324-L335 HydrophobicContact CB-CD1 4.19Å; F333-L335 HydrophobicContact CD2-CB 4.15Å; F333-L335 HydrophobicContact CE2-CB 4.04Å; F333-L335 HydrophobicContact CE2-CD1 4.43Å; F333-L335 HydrophobicContact CE2-CD2 4.47Å; L335-T346 PolarHBondContact N-O 3.4Å; L335-T346 PolarHBondContact O-N 3.39Å; L335-T346 PolarHBondContact O-OG1 3.47Å
336	Y	97.4	Very high	94.5	Very high	63 Å²	63	43 Å²	43	25%	0.247	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.8	172.7	-60.7	-99.5	0	0	0	107.5	F322 K323 I325 I334 V345	F322-Y336 CarbonylContact C-O 3.54Å; F322-Y336 VanDerWaalsContact CA-O 3.25Å; F322-Y336 WeakPolarHBondContact CA-O 3.31Å; K323-Y336 HydrophobicContact CB-CD2 4.48Å; K323-Y336 HydrophobicContact CG-CD2 4.41Å; K323-Y336 PolarHBondContact N-O 3.34Å; K323-Y336 PolarHBondContact O-N 3.48Å; I325-Y336 HydrophobicContact CD1-CE2 3.71Å; I325-Y336 HydrophobicContact CG1-CE2 3.99Å; I334-Y336 HydrophobicContact CB-CE2 4.09Å; I334-Y336 HydrophobicContact CG2-CD2 4.05Å; I334-Y336 HydrophobicContact CG2-CE1 4.49Å; I334-Y336 HydrophobicContact CG2-CE2 3.48Å; I334-Y336 VanDerWaalsContact CG2-CE2 3.48Å; Y336-V345 HydrophobicContact CD1-CB 4.37Å; Y336-V345 HydrophobicContact CD1-CG1 3.93Å; Y336-V345 HydrophobicContact CD1-CG2 3.58Å; Y336-V345 HydrophobicContact CE1-CG1 3.78Å; Y336-V345 HydrophobicContact CE1-CG2 3.87Å; Y336-V345 HydrophobicContact CG-CG1 4.46Å
337	C	96.8	Very high	94.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.9	160.8	167.8	0	0	0	0	108	C319 F322 P343 K344	C319-C337 HydrophobicContact CB-CB 3.83Å; C319-C337 WeakPolarHBondContact CB-SG 3.22Å; C319-C337 WeakPolarHBondContact SG-CB 3.45Å; C319-C337 CovalentContact SG-SG 2.01Å; C319-C337 PolarHBondContact SG-SG 2.83Å; F322-C337 HydrophobicContact CD1-CB 4.19Å; F322-C337 HydrophobicContact CE1-CB 3.91Å; C337-P343 CarbonylContact O-C 3.52Å; C337-P343 WeakPolarHBondContact O-CA 3.42Å; C337-P343 WeakPolarHBondContact O-CB 3.2Å; C337-K344 HydrophobicContact CB-CB 4.47Å; C337-K344 PolarHBondContact N-O 3.09Å; C337-K344 PolarHBondContact O-N 2.88Å
338	L	96.8	Very high	94.7	Very high	42 Å²	42	42.6 Å²	42.6	22%	0.22	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-3.1	-178.5	-57.3	175.3	0	0	0	112.6	F321 K323 E422 F423	F321-L338 HydrophobicContact CD1-CB 4.01Å; F321-L338 HydrophobicContact CD1-CD1 4.14Å; F321-L338 HydrophobicContact CE1-CD1 4.24Å; F321-L338 PolarHBondContact O-N 2.89Å; K323-L338 HydrophobicContact CB-CD1 4.11Å; L338-E422 HydrophobicContact CB-CG 4.21Å; L338-F423 WeakPolarHBondContact O-CB 3.47Å; L338-F423 PolarHBondContact O-N 3.03Å
339	G	94.9	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.5	174.7	178.3	0	0	0	0	0	113	C319 G320 F321 E421	C319-G339 CarbonylContact C-O 3.6Å; C319-G339 WeakPolarHBondContact CA-O 3.28Å; G320-G339 PolarHBondContact N-O 2.93Å; F321-G339 PolarHBondContact N-O 3.19Å; G339-E421 CarbonylContact C-O 3.55Å; G339-E421 WeakPolarHBondContact CA-O 3.32Å
340	P	93	Very high	95	Very high	68 Å²	68	35.2 Å²	35.2	44%	0.442	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-77.8	-18.7	1.7	30.1	-35.3	0	0	0	115.2	G318 E421	G318-P340 WeakPolarHBondContact O-CD 3.41Å; P340-E421 WeakPolarHBondContact CA-O 3.46Å; P340-E421 HydrophobicContact CB-CB 4.35Å
341	G	92.8	Very high	94.8	Very high	29 Å²	29	42 Å²	42	30%	0.299	22%	0.221	S	C	.	.	S	Bend	trans	-68.3	-178.7	171.9	0	0	0	0	0	113.4	G318 F423	G318-G341 PolarHBondContact O-N 2.97Å; G341-F423 WeakPolarHBondContact O-CB 3.35Å
342	I	94.4	Very high	94.7	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.195	22%	0.223	C	C	.	.	S	Bend	trans	-58.8	130.6	174.8	-65.7	170.2	0	0	0	109.2	N362 L365 S366 L369 F423	I342-N362 HydrophobicContact CG2-CB 3.75Å; I342-L365 HydrophobicContact CG2-CD2 4.09Å; I342-L365 HydrophobicContact CG2-CG 4.49Å; I342-S366 VanDerWaalsContact CD1-CA 3.43Å; I342-L369 HydrophobicContact CD1-CD1 4.37Å; I342-L369 HydrophobicContact CG1-CD1 4.48Å; I342-F423 HydrophobicContact CG1-CE2 4.39Å
343	P	96.4	Very high	94.4	Very high	28 Å²	28	40.3 Å²	40.3	18%	0.182	21%	0.214	C	C	.	.			trans	-56.8	144.4	-177.5	-29.2	36.2	0	0	0	113.7	C337 N362 F423	C337-P343 CarbonylContact O-C 3.52Å; C337-P343 WeakPolarHBondContact O-CA 3.42Å; C337-P343 WeakPolarHBondContact O-CB 3.2Å; P343-N362 PolarHBondContact O-ND2 3.33Å; P343-F423 HydrophobicContact CG-CB 4.04Å; P343-F423 HydrophobicContact CG-CD1 3.84Å; P343-F423 HydrophobicContact CG-CG 4.16Å
344	K	96.1	Very high	93.9	Very high	80 Å²	80	43.9 Å²	43.9	35%	0.348	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150	178.2	-60.4	-176.7	-177.4	176.5	0	110.6	C337 E360	C337-K344 HydrophobicContact CB-CB 4.47Å; C337-K344 PolarHBondContact N-O 3.09Å; C337-K344 PolarHBondContact O-N 2.88Å; K344-E360 CarbonylContact C-O 3.59Å; K344-E360 WeakPolarHBondContact CA-O 3.04Å
345	V	97.4	Very high	93.5	Very high	22 Å²	22	45.2 Å²	45.2	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.2	176.3	-170	0	0	0	0	109.4	I334 Y336 L359 E360	I334-V345 HydrophobicContact CG2-CG1 3.51Å; Y336-V345 HydrophobicContact CD1-CB 4.37Å; Y336-V345 HydrophobicContact CD1-CG1 3.93Å; Y336-V345 HydrophobicContact CD1-CG2 3.58Å; Y336-V345 HydrophobicContact CE1-CG1 3.78Å; Y336-V345 HydrophobicContact CE1-CG2 3.87Å; Y336-V345 HydrophobicContact CG-CG1 4.46Å; V345-L359 HydrophobicContact CB-CB 4.29Å; V345-L359 HydrophobicContact CG1-CB 4.2Å; V345-L359 HydrophobicContact CG1-CD2 4.01Å; V345-L359 PolarHBondContact O-N 3.49Å; V345-E360 HydrophobicContact CB-CB 4.08Å; V345-E360 HydrophobicContact CG2-CB 4.12Å; V345-E360 PolarHBondContact N-O 2.83Å; V345-E360 PolarHBondContact O-N 3.45Å
346	T	96.6	Very high	93.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.6	-172.7	44.5	0	0	0	0	110.4	I316 I334 L335 H348 Y356 F357 V358	I316-T346 HydrophobicContact CD1-CG2 3.95Å; I316-T346 WeakPolarHBondContact CD1-OG1 3.41Å; I334-T346 CarbonylContact C-O 3.48Å; I334-T346 WeakPolarHBondContact CA-O 3.45Å; L335-T346 PolarHBondContact N-O 3.4Å; L335-T346 PolarHBondContact O-N 3.39Å; L335-T346 PolarHBondContact O-OG1 3.47Å; T346-H348 WeakPolarHBondContact CB-NE2 3.39Å; T346-H348 PolarHBondContact OG1-NE2 3.19Å; T346-Y356 HydrophobicContact CG2-CD2 3.58Å; T346-Y356 HydrophobicContact CG2-CE2 3.65Å; T346-F357 CarbonylContact C-O 3.18Å; T346-F357 WeakPolarHBondContact CA-O 3.46Å; T346-V358 HydrophobicContact CG2-CG2 4.19Å
347	V	96.8	Very high	93.1	Very high	42 Å²	42	53.3 Å²	53.3	26%	0.255	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123	179	-174.9	0	0	0	0	108.7	I334 Y356 F357 L359	I334-V347 HydrophobicContact CG1-CG2 4.37Å; V347-Y356 VanDerWaalsContact O-CA 3.29Å; V347-Y356 WeakPolarHBondContact O-CA 3.17Å; V347-Y356 VanDerWaalsContact O-CB 3.29Å; V347-Y356 WeakPolarHBondContact O-CB 3.28Å; V347-F357 PolarHBondContact N-O 3.08Å; V347-F357 PolarHBondContact O-N 3.33Å; V347-L359 HydrophobicContact CG2-CB 4.35Å
348	H	95.8	Very high	93.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.3	-173.5	-61.9	-98.1	0	0	0	111.3	L315 H332 F333 T346 P353 Y356	L315-H348 VanDerWaalsContact CD2-CE1 3.42Å; L315-H348 WeakPolarHBondContact CD2-CE1 3.43Å; H332-H348 VanDerWaalsContact CA-O 3.25Å; H332-H348 WeakPolarHBondContact CA-O 3.47Å; H332-H348 WeakPolarHBondContact CB-O 3.2Å; F333-H348 HydrophobicContact CD1-CB 3.91Å; F333-H348 HydrophobicContact CD2-CB 4.13Å; F333-H348 HydrophobicContact CE1-CB 3.41Å; F333-H348 VanDerWaalsContact CE1-CB 3.41Å; F333-H348 HydrophobicContact CE2-CB 3.64Å; F333-H348 AromaticContact CE2-CD2 3.7Å; F333-H348 AromaticContact CE2-CG 3.7Å; F333-H348 HydrophobicContact CG-CB 4.26Å; F333-H348 HydrophobicContact CZ-CB 3.26Å; F333-H348 AromaticContact CZ-CG 3.64Å; F333-H348 PolarHBondContact N-O 3.15Å; F333-H348 PolarHBondContact O-N 3.19Å; T346-H348 WeakPolarHBondContact CB-NE2 3.39Å; T346-H348 PolarHBondContact OG1-NE2 3.19Å; H348-P353 PolarHBondContact ND1-O 3.29Å; H348-Y356 VanDerWaalsContact CE1-CB 3.41Å; H348-Y356 WeakPolarHBondContact CE1-CB 3.15Å; H348-Y356 AromaticContact CE1-CD1 3.54Å; H348-Y356 AromaticContact CE1-CG 3.5Å; H348-Y356 VanDerWaalsContact CE1-CG 3.5Å; H348-Y356 VanDerWaalsContact ND1-CB 3.33Å; H348-Y356 WeakPolarHBondContact ND1-CB 3.3Å; H348-Y356 AromaticContact ND1-CD1 3.94Å; H348-Y356 AromaticContact ND1-CG 3.88Å
349	S	93.9	Very high	93.1	Very high	30 Å²	30	59 Å²	59	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143.3	167.6	-170.3	0	0	0	0	110.8	K351 D352 P353	S349-K351 VanDerWaalsContact C-N 3.27Å; S349-K351 PolarHBondContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.96Å; S349-D352 CarbonylContact O-C 3.59Å; S349-P353 WeakPolarHBondContact O-CA 3.42Å
350	M	89	Confident	93.2	Very high	41 Å²	41	63.2 Å²	63.2	20%	0.202	34%	0.34	C	S	.	.	S	Bend	trans	-70.6	-22.5	174.1	-73.3	-55.9	-58.8	0	0	113.7	Y284 F326 Q330 T331 F333	Y284-M350 HydrophobicContact CD1-CE 4.34Å; Y284-M350 HydrophobicContact CE1-CE 3.39Å; Y284-M350 HydrophobicContact CE2-CE 4.14Å; Y284-M350 WeakPolarHBondContact OH-CE 3.46Å; F326-M350 HydrophobicContact CE1-CE 4.47Å; F326-M350 HydrophobicContact CE1-SD 3.79Å; Q330-M350 VanDerWaalsContact O-CG 3.27Å; Q330-M350 WeakPolarHBondContact O-CG 3.32Å; T331-M350 WeakPolarHBondContact O-CB 3.31Å; T331-M350 WeakPolarHBondContact O-CG 3.27Å; T331-M350 PolarHBondContact O-N 2.57Å; F333-M350 HydrophobicContact CD1-CG 4.23Å; F333-M350 HydrophobicContact CD1-SD 3.32Å; F333-M350 WeakPolarHBondContact CD1-SD 3.3Å; F333-M350 HydrophobicContact CE1-SD 3.5Å; F333-M350 WeakPolarHBondContact CE1-SD 3.02Å; F333-M350 HydrophobicContact CG-SD 4.45Å
351	K	87.8	Confident	93.3	Very high	202 Å²	202	62.6 Å²	62.6	88%	0.878	33%	0.333	S	S	*	.	S	Bend	trans	-71.7	-41.9	177.6	-68.7	-177.6	179	179	0	111.8	S349	S349-K351 VanDerWaalsContact C-N 3.27Å; S349-K351 PolarHBondContact O-N 3.14Å; S349-K351 PolarHBondContact OG-N 2.96Å
352	D	89.3	Confident	93.5	Very high	74 Å²	74	63.7 Å²	63.7	40%	0.396	33%	0.332	S	S	.	.			trans	-139.9	94.5	175.2	-179.6	8.2	0	0	0	109.3	S349 S354 S355	S349-D352 CarbonylContact O-C 3.59Å; D352-S354 PolarHBondContact O-N 2.85Å; D352-S354 WeakPolarHBondContact OD1-CB 3.3Å; D352-S354 PolarHBondContact OD1-N 3.37Å; D352-S354 PolarHBondContact OD1-OG 2.93Å; D352-S354 PolarHBondContact OD2-OG 2.95Å; D352-S355 PolarHBondContact O-N 3.37Å; D352-S355 WeakPolarHBondContact OD2-CB 3.22Å
353	P	87	Confident	93.5	Very high	31 Å²	31	66.6 Å²	66.6	20%	0.201	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.8	177.9	-25.9	35.9	0	0	0	113.8	I311 F333 H348 S349	I311-P353 HydrophobicContact CG2-CB 4.12Å; I311-P353 HydrophobicContact CG2-CG 4.34Å; F333-P353 HydrophobicContact CZ-CB 4.37Å; H348-P353 PolarHBondContact ND1-O 3.29Å; S349-P353 WeakPolarHBondContact O-CA 3.42Å
354	S	87.1	Confident	93.5	Very high	77 Å²	77	72.8 Å²	72.8	54%	0.538	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.2	-178.3	72	0	0	0	0	113.1	D352 Y356	D352-S354 PolarHBondContact O-N 2.85Å; D352-S354 WeakPolarHBondContact OD1-CB 3.3Å; D352-S354 PolarHBondContact OD1-N 3.37Å; D352-S354 PolarHBondContact OD1-OG 2.93Å; D352-S354 PolarHBondContact OD2-OG 2.95Å; S354-Y356 VanDerWaalsContact O-CD1 3.32Å; S354-Y356 WeakPolarHBondContact O-CD1 3.34Å; S354-Y356 PolarHBondContact O-N 3.48Å
355	S	88.6	Confident	93.4	Very high	79 Å²	79	71.9 Å²	71.9	55%	0.552	38%	0.377	S	S	*	.	S	Bend	trans	-85.6	101.1	172.7	174.2	0	0	0	0	110	D352	D352-S355 PolarHBondContact O-N 3.37Å; D352-S355 WeakPolarHBondContact OD2-CB 3.22Å
356	Y	91.6	Very high	93.3	Very high	94 Å²	94	73.5 Å²	73.5	37%	0.369	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	158.4	-178.4	67.6	-95.8	0	0	0	113.9	T346 V347 H348 S354 V358	T346-Y356 HydrophobicContact CG2-CD2 3.58Å; T346-Y356 HydrophobicContact CG2-CE2 3.65Å; V347-Y356 VanDerWaalsContact O-CA 3.29Å; V347-Y356 WeakPolarHBondContact O-CA 3.17Å; V347-Y356 VanDerWaalsContact O-CB 3.29Å; V347-Y356 WeakPolarHBondContact O-CB 3.28Å; H348-Y356 VanDerWaalsContact CE1-CB 3.41Å; H348-Y356 WeakPolarHBondContact CE1-CB 3.15Å; H348-Y356 AromaticContact CE1-CD1 3.54Å; H348-Y356 AromaticContact CE1-CG 3.5Å; H348-Y356 VanDerWaalsContact CE1-CG 3.5Å; H348-Y356 VanDerWaalsContact ND1-CB 3.33Å; H348-Y356 WeakPolarHBondContact ND1-CB 3.3Å; H348-Y356 AromaticContact ND1-CD1 3.94Å; H348-Y356 AromaticContact ND1-CG 3.88Å; S354-Y356 VanDerWaalsContact O-CD1 3.32Å; S354-Y356 WeakPolarHBondContact O-CD1 3.34Å; S354-Y356 PolarHBondContact O-N 3.48Å; Y356-V358 HydrophobicContact CD2-CG2 4.27Å; Y356-V358 HydrophobicContact CE2-CG2 3.9Å
357	F	94.3	Very high	93.2	Very high	138 Å²	138	76.4 Å²	76.4	61%	0.605	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	139.4	171.8	174.1	-98.1	0	0	0	109.9	T346 V347 L359	T346-F357 CarbonylContact C-O 3.18Å; T346-F357 WeakPolarHBondContact CA-O 3.46Å; V347-F357 PolarHBondContact N-O 3.08Å; V347-F357 PolarHBondContact O-N 3.33Å; F357-L359 HydrophobicContact CE1-CD1 4.44Å
358	V	95.9	Very high	93.1	Very high	60 Å²	60	77.3 Å²	77.3	36%	0.364	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.1	177.4	-177.5	0	0	0	0	109.1	T346 Y356 D361	T346-V358 HydrophobicContact CG2-CG2 4.19Å; Y356-V358 HydrophobicContact CD2-CG2 4.27Å; Y356-V358 HydrophobicContact CE2-CG2 3.9Å; V358-D361 HydrophobicContact CG1-CB 3.89Å
359	L	96.7	Very high	93	Very high	102 Å²	102	78.3 Å²	78.3	53%	0.534	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-37.4	178.4	-173.2	65.9	0	0	0	111.9	V345 V347 F357	V345-L359 HydrophobicContact CB-CB 4.29Å; V345-L359 HydrophobicContact CG1-CB 4.2Å; V345-L359 HydrophobicContact CG1-CD2 4.01Å; V345-L359 PolarHBondContact O-N 3.49Å; V347-L359 HydrophobicContact CG2-CB 4.35Å; F357-L359 HydrophobicContact CE1-CD1 4.44Å
360	E	97.1	Very high	92.9	Very high	89 Å²	89	85.1 Å²	85.1	42%	0.416	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	130.5	178.6	177	57.2	-111.7	0	0	109.1	K344 V345 N362	K344-E360 CarbonylContact C-O 3.59Å; K344-E360 WeakPolarHBondContact CA-O 3.04Å; V345-E360 HydrophobicContact CB-CB 4.08Å; V345-E360 HydrophobicContact CG2-CB 4.12Å; V345-E360 PolarHBondContact N-O 2.83Å; V345-E360 PolarHBondContact O-N 3.45Å; E360-N362 WeakPolarHBondContact OE1-CA 3.3Å; E360-N362 PolarHBondContact OE1-N 3.44Å
361	D	94.9	Very high	93	Very high	55 Å²	55	90.4 Å²	90.4	29%	0.294	49%	0.486	S	S	.	.			trans	-119.2	-3.9	-178.2	62.3	11.7	0	0	0	114.3	V358 N363	V358-D361 HydrophobicContact CG1-CB 3.89Å; D361-N363 VanDerWaalsContact C-N 3.26Å; D361-N363 PolarHBondContact O-N 2.83Å; D361-N363 PolarHBondContact OD1-N 2.93Å; D361-N363 VanDerWaalsContact OD1-N 3.17Å; D361-N363 PolarHBondContact OD1-ND2 2.92Å; D361-N363 PolarHBondContact OD1-OD1 3.4Å; D361-N363 VanDerWaalsContact OD2-CG 3.24Å; D361-N363 PolarHBondContact OD2-ND2 3.32Å; D361-N363 PolarHBondContact OD2-OD1 3.02Å
362	N	96.3	Very high	93.2	Very high	52 Å²	52	87.3 Å²	87.3	28%	0.278	47%	0.472	S	S	.	.			trans	52.9	39.4	-179.3	-72.5	-68.9	0	0	0	113.3	I342 P343 E360 L364 L365 S366	I342-N362 HydrophobicContact CG2-CB 3.75Å; P343-N362 PolarHBondContact O-ND2 3.33Å; E360-N362 WeakPolarHBondContact OE1-CA 3.3Å; E360-N362 PolarHBondContact OE1-N 3.44Å; N362-L364 PolarHBondContact O-N 3.49Å; N362-L364 VanDerWaalsContact O-N 3.17Å; N362-L365 HydrophobicContact CB-CB 4.23Å; N362-L365 WeakPolarHBondContact O-CB 3.48Å; N362-L365 PolarHBondContact O-N 3.47Å; N362-S366 PolarHBondContact O-N 3.47Å
363	N	95.8	Very high	93.3	Very high	100 Å²	100	92.9 Å²	92.9	54%	0.535	49%	0.488	S	S	.	.	H	α-helix	trans	-54.2	-36.3	-179.5	-78.7	-26.4	0	0	0	114.2	D361 S366 A367	D361-N363 VanDerWaalsContact C-N 3.26Å; D361-N363 PolarHBondContact O-N 2.83Å; D361-N363 PolarHBondContact OD1-N 2.93Å; D361-N363 VanDerWaalsContact OD1-N 3.17Å; D361-N363 PolarHBondContact OD1-ND2 2.92Å; D361-N363 PolarHBondContact OD1-OD1 3.4Å; D361-N363 VanDerWaalsContact OD2-CG 3.24Å; D361-N363 PolarHBondContact OD2-ND2 3.32Å; D361-N363 PolarHBondContact OD2-OD1 3.02Å; N363-S366 PolarHBondContact O-N 2.9Å; N363-A367 WeakPolarHBondContact O-CB 2.93Å; N363-A367 PolarHBondContact O-N 2.86Å
364	L	95.8	Very high	93.5	Very high	158 Å²	158	95.1 Å²	95.1	83%	0.827	50%	0.497	S	S	*	.	H	α-helix	trans	-63.6	-41.6	177	-67.2	178.3	0	0	0	112	N362 A367 A368	N362-L364 PolarHBondContact O-N 3.49Å; N362-L364 VanDerWaalsContact O-N 3.17Å; L364-A367 PolarHBondContact O-N 2.9Å; L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.37Å
365	L	94.9	Very high	93.8	Very high	61 Å²	61	92.7 Å²	92.7	32%	0.319	48%	0.48	S	S	.	.	H	α-helix	trans	-66.8	-42.3	175.2	179.3	60.5	0	0	0	110.4	I342 N362 A367 A368 L369 F423	I342-L365 HydrophobicContact CG2-CD2 4.09Å; I342-L365 HydrophobicContact CG2-CG 4.49Å; N362-L365 HydrophobicContact CB-CB 4.23Å; N362-L365 WeakPolarHBondContact O-CB 3.48Å; N362-L365 PolarHBondContact O-N 3.47Å; L365-A367 PolarHBondContact O-N 2.84Å; L365-A368 PolarHBondContact O-N 2.86Å; L365-L369 HydrophobicContact CD1-CD1 3.9Å; L365-L369 HydrophobicContact CD1-CG 4.02Å; L365-L369 HydrophobicContact CG-CD1 4.04Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 2.79Å; L365-F423 HydrophobicContact CD2-CE1 4.16Å; L365-F423 HydrophobicContact CD2-CZ 4.35Å
366	S	93.6	Very high	94	Very high	55 Å²	55	93.1 Å²	93.1	39%	0.385	47%	0.473	S	S	.	.	H	α-helix	trans	-58.3	-46.3	175.6	-173.2	0	0	0	0	112.4	I342 N362 N363 A368 L369 K370	I342-S366 VanDerWaalsContact CD1-CA 3.43Å; N362-S366 PolarHBondContact O-N 3.47Å; N363-S366 PolarHBondContact O-N 2.9Å; S366-A368 PolarHBondContact O-N 3.24Å; S366-L369 PolarHBondContact O-N 3.14Å; S366-K370 PolarHBondContact O-N 3.38Å
367	A	95.8	Very high	94.1	Very high	64 Å²	64	91.2 Å²	91.2	53%	0.529	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-42	175.3	0	0	0	0	0	112.1	N363 L364 L365 L369 K370	N363-A367 WeakPolarHBondContact O-CB 2.93Å; N363-A367 PolarHBondContact O-N 2.86Å; L364-A367 PolarHBondContact O-N 2.9Å; L365-A367 PolarHBondContact O-N 2.84Å; A367-L369 VanDerWaalsContact C-N 3.29Å; A367-L369 PolarHBondContact O-N 3.33Å; A367-K370 PolarHBondContact O-N 2.73Å
368	A	94.6	Very high	94.1	Very high	60 Å²	60	87.2 Å²	87.2	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-27.6	-179.9	0	0	0	0	0	113.9	L364 L365 S366	L364-A368 WeakPolarHBondContact O-CB 3.42Å; L364-A368 PolarHBondContact O-N 3.37Å; L365-A368 PolarHBondContact O-N 2.86Å; S366-A368 PolarHBondContact O-N 3.24Å
369	L	93.3	Very high	94	Very high	23 Å²	23	87.7 Å²	87.7	12%	0.12	46%	0.456	C	S	.	.	H	α-helix	trans	-92.2	-13.6	-179	-64.2	-178	0	0	0	113.9	I342 L365 S366 A367 D371 K372 L374 F423 L425	I342-L369 HydrophobicContact CD1-CD1 4.37Å; I342-L369 HydrophobicContact CG1-CD1 4.48Å; L365-L369 HydrophobicContact CD1-CD1 3.9Å; L365-L369 HydrophobicContact CD1-CG 4.02Å; L365-L369 HydrophobicContact CG-CD1 4.04Å; L365-L369 HydrophobicContact CG-CG 4.46Å; L365-L369 WeakPolarHBondContact O-CG 3.36Å; L365-L369 PolarHBondContact O-N 2.79Å; S366-L369 PolarHBondContact O-N 3.14Å; A367-L369 VanDerWaalsContact C-N 3.29Å; A367-L369 PolarHBondContact O-N 3.33Å; L369-D371 VanDerWaalsContact C-N 3.27Å; L369-D371 PolarHBondContact O-N 3.16Å; L369-K372 HydrophobicContact CD2-CG 4.45Å; L369-K372 WeakPolarHBondContact O-CB 3.39Å; L369-K372 PolarHBondContact O-N 2.96Å; L369-L374 HydrophobicContact CB-CD1 4.44Å; L369-L374 HydrophobicContact CD1-CD1 4.35Å; L369-L374 HydrophobicContact CD2-CD2 4.28Å; L369-F423 HydrophobicContact CD1-CZ 4.06Å; L369-L425 HydrophobicContact CD1-CD1 3.86Å; L369-L425 HydrophobicContact CD2-CD1 3.69Å; L369-L425 HydrophobicContact CG-CD1 4.44Å
370	K	92.1	Very high	93.7	Very high	173 Å²	173	85.5 Å²	85.5	75%	0.752	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.3	-174.7	-168.3	179.2	179.7	-177.7	0	113.8	S366 A367	S366-K370 PolarHBondContact O-N 3.38Å; A367-K370 PolarHBondContact O-N 2.73Å
371	D	90.5	Very high	93.3	Very high	152 Å²	152	84.4 Å²	84.4	81%	0.813	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	13.9	-178.6	-56.7	-35.8	0	0	0	112.9	L369	L369-D371 VanDerWaalsContact C-N 3.27Å; L369-D371 PolarHBondContact O-N 3.16Å
372	K	91.8	Very high	92.9	Very high	136 Å²	136	82 Å²	82	59%	0.591	43%	0.429	S	S	*	.	S	Bend	trans	-105	139.5	-179.6	-57.5	-63.9	-177.8	-173.8	0	110.3	L369 L374	L369-K372 HydrophobicContact CD2-CG 4.45Å; L369-K372 WeakPolarHBondContact O-CB 3.39Å; L369-K372 PolarHBondContact O-N 2.96Å; K372-L374 PolarHBondContact O-N 2.91Å; K372-L374 VanDerWaalsContact O-N 3.12Å
373	R	90.9	Very high	92.3	Very high	191 Å²	191	85.7 Å²	85.7	72%	0.721	44%	0.444	S	S	*	.			trans	-80.5	90.6	171.8	-65.6	-177.7	-175.8	172.3	-0.3	109.4	S433	R373-S433 WeakPolarHBondContact O-CB 3.49Å; R373-S433 PolarHBondContact O-OG 2.88Å
374	L	91.8	Very high	91.3	Very high	78 Å²	78	81.2 Å²	81.2	41%	0.408	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-72.7	141.3	175.4	-64.2	179.7	0	0	0	110.3	L369 K372 L425	L369-L374 HydrophobicContact CB-CD1 4.44Å; L369-L374 HydrophobicContact CD1-CD1 4.35Å; L369-L374 HydrophobicContact CD2-CD2 4.28Å; K372-L374 PolarHBondContact O-N 2.91Å; K372-L374 VanDerWaalsContact O-N 3.12Å; L374-L425 HydrophobicContact CD2-CD1 4.2Å
375	P	93.4	Very high	90.2	Very high	26 Å²	26	81.2 Å²	81.2	17%	0.169	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-74.1	156.1	176.9	33.7	-36.6	0	0	0	111.3	T394 L395 Q429 C432	P375-T394 HydrophobicContact CB-CG2 3.47Å; P375-T394 VanDerWaalsContact CB-CG2 3.47Å; P375-T394 HydrophobicContact CG-CG2 3.49Å; P375-T394 VanDerWaalsContact CG-CG2 3.49Å; P375-L395 CarbonylContact C-O 3.51Å; P375-L395 VanDerWaalsContact CA-O 3.27Å; P375-L395 WeakPolarHBondContact CA-O 3.49Å; P375-L395 WeakPolarHBondContact CB-O 3.24Å; P375-Q429 HydrophobicContact CG-CB 4.32Å; P375-Q429 HydrophobicContact CG-CG 4.26Å; P375-C432 HydrophobicContact CB-CB 4.38Å
376	E	92.6	Very high	89.1	Confident	88 Å²	88	84.4 Å²	84.4	41%	0.411	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.5	-179.6	-66.3	176.8	-166.7	0	0	110.2	T394 L395	E376-T394 CarbonylContact O-C 3.56Å; E376-T394 VanDerWaalsContact O-CA 3.31Å; E376-T394 WeakPolarHBondContact O-CA 3.17Å; E376-L395 PolarHBondContact N-O 2.78Å; E376-L395 PolarHBondContact O-N 2.9Å
377	S	94.1	Very high	88.2	Confident	55 Å²	55	83.7 Å²	83.7	39%	0.385	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.5	177.8	-71.1	0	0	0	0	111.6	K392 L393 T394	S377-K392 WeakPolarHBondContact OG-CE 3.08Å; S377-L393 CarbonylContact C-O 3.42Å; S377-L393 VanDerWaalsContact CA-O 3.24Å; S377-L393 WeakPolarHBondContact CA-O 3.43Å; S377-T394 PolarHBondContact OG-OG1 3.2Å
378	L	94.1	Very high	87.5	Confident	54 Å²	54	83 Å²	83	28%	0.283	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.9	173.1	-58.4	176.8	0	0	0	109.7	L393 L395 Y399	L378-L393 HydrophobicContact CB-CB 4.31Å; L378-L393 PolarHBondContact N-O 3.33Å; L378-L393 PolarHBondContact O-N 3.25Å; L378-L395 HydrophobicContact CD1-CD1 3.69Å; L378-L395 HydrophobicContact CG-CD1 4.46Å; L378-Y399 HydrophobicContact CD1-CE1 4.4Å
379	F	93.4	Very high	87.1	Confident	70 Å²	70	80.1 Å²	80.1	31%	0.307	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	131.7	175	-61.6	-81.1	0	0	0	109.9	E293 L391 K392 V419 E421	E293-F379 HydrophobicContact CB-CD1 4.31Å; E293-F379 HydrophobicContact CB-CE1 4.04Å; E293-F379 HydrophobicContact CB-CZ 4.34Å; E293-F379 HydrophobicContact CG-CD1 3.63Å; E293-F379 HydrophobicContact CG-CE1 3.84Å; E293-F379 HydrophobicContact CG-CG 4.13Å; F379-L391 WeakPolarHBondContact CA-O 3.36Å; F379-K392 HydrophobicContact CD1-CB 4.13Å; F379-K392 HydrophobicContact CD1-CG 4.31Å; F379-K392 HydrophobicContact CE1-CB 3.97Å; F379-K392 HydrophobicContact CE1-CD 3.96Å; F379-K392 HydrophobicContact CE1-CG 3.83Å; F379-K392 HydrophobicContact CZ-CD 4.33Å; F379-K392 HydrophobicContact CZ-CG 4.38Å; F379-V419 HydrophobicContact CD1-CG1 3.75Å; F379-V419 HydrophobicContact CE1-CG1 3.99Å; F379-E421 HydrophobicContact CE2-CG 3.91Å; F379-E421 HydrophobicContact CZ-CG 3.79Å
380	K	91.3	Very high	86.9	Confident	55 Å²	55	79.2 Å²	79.2	24%	0.239	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.6	177.2	-65.2	-171.6	177	-178.8	0	110.7	L391 L393 F476 Y481	K380-L391 HydrophobicContact CB-CB 4.44Å; K380-L391 HydrophobicContact CB-CD2 4.21Å; K380-L391 PolarHBondContact N-O 3.05Å; K380-L391 PolarHBondContact O-N 2.74Å; K380-L393 HydrophobicContact CD-CD1 4.27Å; K380-F476 HydrophobicContact CD-CE1 3.98Å; K380-F476 HydrophobicContact CD-CZ 4.34Å; K380-Y481 PolarHBondContact NZ-OH 2.73Å
381	T	89.1	Confident	86.9	Confident	67 Å²	67	71 Å²	71	41%	0.411	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.8	172.9	-53.4	0	0	0	0	108.6	D388 L389 H390	T381-D388 HydrophobicContact CG2-CB 3.78Å; T381-L389 CarbonylContact C-O 3.58Å; T381-L389 WeakPolarHBondContact CA-O 3.39Å; T381-H390 PolarHBondContact OG1-CE1 3.02Å; T381-H390 VanDerWaalsContact OG1-CE1 3.25Å; T381-H390 PolarHBondContact OG1-ND1 3.35Å
382	V	86.7	Confident	87.1	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.024	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.3	177	-175.1	0	0	0	0	108.2	L389 F476	V382-L389 HydrophobicContact CB-CB 4.28Å; V382-L389 PolarHBondContact N-O 2.8Å; V382-L389 PolarHBondContact O-N 3.4Å; V382-F476 HydrophobicContact CB-CD2 4.47Å; V382-F476 HydrophobicContact CB-CG 4.29Å; V382-F476 HydrophobicContact CG1-CB 3.84Å; V382-F476 HydrophobicContact CG1-CD1 4.47Å; V382-F476 HydrophobicContact CG1-CD2 3.84Å; V382-F476 HydrophobicContact CG1-CG 3.79Å; V382-F476 HydrophobicContact CG2-CB 4.11Å; V382-F476 HydrophobicContact CG2-CD1 3.3Å; V382-F476 HydrophobicContact CG2-CD2 3.96Å; V382-F476 HydrophobicContact CG2-CE1 3.58Å; V382-F476 HydrophobicContact CG2-CE2 4.19Å; V382-F476 HydrophobicContact CG2-CG 3.5Å; V382-F476 HydrophobicContact CG2-CZ 4.01Å
383	Q	83.1	Confident	87.3	Confident	129 Å²	129	58 Å²	58	60%	0.603	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	124	174.7	-64.6	-66.9	-52.8	0	0	109.3	D388	Q383-D388 VanDerWaalsContact CD-OD1 3.3Å; Q383-D388 PolarHBondContact NE2-OD1 3.12Å; Q383-D388 PolarHBondContact OE1-OD1 3.13Å
384	A	75.1	Confident	87.5	Confident	6 Å²	6	49.1 Å²	49.1	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.7	176.7	0	0	0	0	0	109.9	N386 H387 L389 R472	A384-N386 PolarHBondContact O-N 2.87Å; A384-H387 CarbonylContact C-O 3.56Å; A384-H387 PolarHBondContact N-O 2.71Å; A384-H387 CarbonylContact O-C 3.54Å; A384-H387 PolarHBondContact O-N 3.42Å; A384-L389 HydrophobicContact CB-CD1 3.67Å; A384-L389 HydrophobicContact CB-CG 3.84Å; A384-R472 HydrophobicContact CB-CG 4.09Å
385	D	71.9	Confident	87.7	Confident	158 Å²	158	45.4 Å²	45.4	85%	0.845	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	36.5	-86.2	-179	-59.8	-21.5	0	0	0	115.1
386	N	71.8	Confident	87.8	Confident	128 Å²	128	44.6 Å²	44.6	68%	0.684	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.4	7.6	-173.4	-69	-32.8	0	0	0	114.8	A384 K453	A384-N386 PolarHBondContact O-N 2.87Å; N386-K453 PolarHBondContact O-NZ 2.74Å
387	H	75.2	Confident	87.7	Confident	40 Å²	40	46.1 Å²	46.1	19%	0.185	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.6	-177.6	61.1	-84.5	0	0	0	113.6	A384 R445 D469	A384-H387 CarbonylContact C-O 3.56Å; A384-H387 PolarHBondContact N-O 2.71Å; A384-H387 CarbonylContact O-C 3.54Å; A384-H387 PolarHBondContact O-N 3.42Å; H387-R445 PolarHBondContact CE1-NE 3.21Å; H387-R445 WeakPolarHBondContact NE2-CG 3.21Å; H387-D469 IonicContact CE1-OD1 3.47Å; H387-D469 PolarHBondContact CE1-OD1 3.45Å; H387-D469 IonicContact NE2-OD1 3Å; H387-D469 PolarHBondContact NE2-OD1 3.07Å; H387-D469 VanDerWaalsContact NE2-OD1 3.11Å; H387-D469 IonicContact NE2-OD2 3.35Å
388	D	81.1	Confident	87.5	Confident	50 Å²	50	46 Å²	46	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.5	174.5	-65	-11.3	0	0	0	110.1	R292 T381 Q383	R292-D388 IonicContact NH1-OD2 2.95Å; R292-D388 PolarHBondContact NH1-OD2 2.74Å; R292-D388 IonicContact NH2-OD2 2.72Å; T381-D388 HydrophobicContact CG2-CB 3.78Å; Q383-D388 VanDerWaalsContact CD-OD1 3.3Å; Q383-D388 PolarHBondContact NE2-OD1 3.12Å; Q383-D388 PolarHBondContact OE1-OD1 3.13Å
389	L	86.1	Confident	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.7	166.3	-57.4	176.4	0	0	0	108.4	T381 V382 A384 D469 R472 V473	T381-L389 CarbonylContact C-O 3.58Å; T381-L389 WeakPolarHBondContact CA-O 3.39Å; V382-L389 HydrophobicContact CB-CB 4.28Å; V382-L389 PolarHBondContact N-O 2.8Å; V382-L389 PolarHBondContact O-N 3.4Å; A384-L389 HydrophobicContact CB-CD1 3.67Å; A384-L389 HydrophobicContact CB-CG 3.84Å; L389-D469 HydrophobicContact CD1-CB 4.21Å; L389-D469 WeakPolarHBondContact CD1-O 3.39Å; L389-D469 HydrophobicContact CD2-CB 3.79Å; L389-R472 HydrophobicContact CD1-CB 4.31Å; L389-R472 HydrophobicContact CD1-CG 4.42Å; L389-V473 HydrophobicContact CB-CG2 4.32Å; L389-V473 HydrophobicContact CD1-CG2 3.8Å
390	H	88.3	Confident	87.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.019	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.7	172.7	-62.3	-86	0	0	0	110.6	R292 T381 V419 V442 D443 R450	R292-H390 WeakPolarHBondContact CD-CE1 3.19Å; R292-H390 VanDerWaalsContact CD-NE2 3.27Å; R292-H390 WeakPolarHBondContact CD-NE2 3.46Å; R292-H390 PolarHBondContact NH1-CE1 2.97Å; R292-H390 PolarHBondContact NH1-NE2 3.3Å; T381-H390 PolarHBondContact OG1-CE1 3.02Å; T381-H390 VanDerWaalsContact OG1-CE1 3.25Å; T381-H390 PolarHBondContact OG1-ND1 3.35Å; H390-V419 HydrophobicContact CB-CG1 4.14Å; H390-V442 WeakPolarHBondContact O-CA 3.32Å; H390-D443 PolarHBondContact N-O 3.13Å; H390-D443 PolarHBondContact O-N 3.48Å; H390-D443 VanDerWaalsContact O-N 3.16Å; H390-R450 VanDerWaalsContact CB-NH2 3.34Å; H390-R450 VanDerWaalsContact CD2-CZ 3.48Å
391	L	92.1	Very high	87.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.9	-174.1	173.7	73.4	0	0	0	109.3	F379 K380 L393 A440 W441 V442 V473 M477	F379-L391 WeakPolarHBondContact CA-O 3.36Å; K380-L391 HydrophobicContact CB-CB 4.44Å; K380-L391 HydrophobicContact CB-CD2 4.21Å; K380-L391 PolarHBondContact N-O 3.05Å; K380-L391 PolarHBondContact O-N 2.74Å; L391-L393 HydrophobicContact CD1-CD2 4.25Å; L391-L393 HydrophobicContact CD1-CG 4.47Å; L391-L393 HydrophobicContact CD2-CD1 3.85Å; L391-L393 HydrophobicContact CD2-CD2 3.93Å; L391-L393 HydrophobicContact CD2-CG 3.56Å; L391-L393 HydrophobicContact CG-CD2 4.23Å; L391-L393 HydrophobicContact CG-CG 3.93Å; L391-A440 HydrophobicContact CD1-CB 3.9Å; L391-W441 WeakPolarHBondContact CA-O 3.36Å; L391-W441 WeakPolarHBondContact CD1-O 3.22Å; L391-V442 HydrophobicContact CD1-CG2 3.88Å; L391-V473 HydrophobicContact CD1-CG1 4.09Å; L391-M477 HydrophobicContact CD1-CE 3.16Å; L391-M477 HydrophobicContact CD2-CE 3.25Å; L391-M477 HydrophobicContact CD2-SD 3.97Å; L391-M477 HydrophobicContact CG-CE 3.79Å
392	K	94.8	Very high	87.4	Confident	15 Å²	15	51.8 Å²	51.8	7%	0.065	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.9	159	-178.8	177.4	-177.4	169.7	0	108.1	S377 F379 V419 T420 A440 W441	S377-K392 WeakPolarHBondContact OG-CE 3.08Å; F379-K392 HydrophobicContact CD1-CB 4.13Å; F379-K392 HydrophobicContact CD1-CG 4.31Å; F379-K392 HydrophobicContact CE1-CB 3.97Å; F379-K392 HydrophobicContact CE1-CD 3.96Å; F379-K392 HydrophobicContact CE1-CG 3.83Å; F379-K392 HydrophobicContact CZ-CD 4.33Å; F379-K392 HydrophobicContact CZ-CG 4.38Å; K392-V419 HydrophobicContact CB-CG1 4.08Å; K392-V419 HydrophobicContact CB-CG2 4.32Å; K392-T420 PolarHBondContact NZ-O 2.76Å; K392-A440 WeakPolarHBondContact O-CA 3.11Å; K392-W441 HydrophobicContact CB-CB 4.29Å; K392-W441 HydrophobicContact CB-CE3 4.24Å; K392-W441 HydrophobicContact CD-CE3 4.19Å; K392-W441 HydrophobicContact CG-CE3 4.1Å; K392-W441 PolarHBondContact N-O 2.87Å; K392-W441 PolarHBondContact O-N 2.85Å
393	L	95.6	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.3	166.5	-72.1	174.9	0	0	0	108.5	S377 L378 K380 L391 L395 L439 A440 M477 L479	S377-L393 CarbonylContact C-O 3.42Å; S377-L393 VanDerWaalsContact CA-O 3.24Å; S377-L393 WeakPolarHBondContact CA-O 3.43Å; L378-L393 HydrophobicContact CB-CB 4.31Å; L378-L393 PolarHBondContact N-O 3.33Å; L378-L393 PolarHBondContact O-N 3.25Å; K380-L393 HydrophobicContact CD-CD1 4.27Å; L391-L393 HydrophobicContact CD1-CD2 4.25Å; L391-L393 HydrophobicContact CD1-CG 4.47Å; L391-L393 HydrophobicContact CD2-CD1 3.85Å; L391-L393 HydrophobicContact CD2-CD2 3.93Å; L391-L393 HydrophobicContact CD2-CG 3.56Å; L391-L393 HydrophobicContact CG-CD2 4.23Å; L391-L393 HydrophobicContact CG-CG 3.93Å; L393-L395 HydrophobicContact CB-CG 4.38Å; L393-L439 CarbonylContact C-O 3.58Å; L393-L439 VanDerWaalsContact CA-O 3.31Å; L393-L439 WeakPolarHBondContact CA-O 3.47Å; L393-A440 HydrophobicContact CD2-CB 4.04Å; L393-M477 HydrophobicContact CD1-SD 4.44Å; L393-M477 HydrophobicContact CD2-CE 3.61Å; L393-M477 HydrophobicContact CD2-SD 3.8Å; L393-M477 HydrophobicContact CG-CE 4.47Å; L393-L479 HydrophobicContact CD1-CD1 3.86Å
394	T	96.3	Very high	88.2	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119	167.3	-62	0	0	0	0	108.4	P375 E376 S377 L439 W441	P375-T394 HydrophobicContact CB-CG2 3.47Å; P375-T394 VanDerWaalsContact CB-CG2 3.47Å; P375-T394 HydrophobicContact CG-CG2 3.49Å; P375-T394 VanDerWaalsContact CG-CG2 3.49Å; E376-T394 CarbonylContact O-C 3.56Å; E376-T394 VanDerWaalsContact O-CA 3.31Å; E376-T394 WeakPolarHBondContact O-CA 3.17Å; S377-T394 PolarHBondContact OG-OG1 3.2Å; T394-L439 HydrophobicContact CG2-CD1 4.2Å; T394-L439 PolarHBondContact N-O 3.43Å; T394-L439 PolarHBondContact O-N 2.75Å; T394-W441 VanDerWaalsContact OG1-CZ3 3.24Å; T394-W441 WeakPolarHBondContact OG1-CZ3 3.45Å
395	L	95.9	Very high	89.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.3	-168.5	-63.8	169.7	0	0	0	110.2	P375 E376 L378 L393 Y399 C432 A438 Y481 I482	P375-L395 CarbonylContact C-O 3.51Å; P375-L395 VanDerWaalsContact CA-O 3.27Å; P375-L395 WeakPolarHBondContact CA-O 3.49Å; P375-L395 WeakPolarHBondContact CB-O 3.24Å; E376-L395 PolarHBondContact N-O 2.78Å; E376-L395 PolarHBondContact O-N 2.9Å; L378-L395 HydrophobicContact CD1-CD1 3.69Å; L378-L395 HydrophobicContact CG-CD1 4.46Å; L393-L395 HydrophobicContact CB-CG 4.38Å; L395-Y399 HydrophobicContact CB-CD1 3.66Å; L395-Y399 HydrophobicContact CB-CE1 4.39Å; L395-Y399 HydrophobicContact CB-CG 3.84Å; L395-Y399 HydrophobicContact CD1-CD1 3.73Å; L395-Y399 HydrophobicContact CD1-CD2 3.83Å; L395-Y399 HydrophobicContact CD1-CE1 3.77Å; L395-Y399 HydrophobicContact CD1-CE2 3.9Å; L395-Y399 HydrophobicContact CD1-CG 3.78Å; L395-Y399 HydrophobicContact CG-CD1 4.3Å; L395-Y399 HydrophobicContact CG-CG 4.28Å; L395-C432 VanDerWaalsContact C-SG 3.56Å; L395-A438 HydrophobicContact CD2-CB 3.6Å; L395-Y481 HydrophobicContact CD1-CD2 4.45Å; L395-Y481 HydrophobicContact CD1-CE2 3.81Å; L395-Y481 HydrophobicContact CD2-CD2 4.33Å; L395-Y481 HydrophobicContact CD2-CE2 4.17Å; L395-I482 HydrophobicContact CD2-CD1 4.32Å
396	P	94.3	Very high	90.4	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.065	24%	0.242	C	C	.	.			trans	-63.5	154.8	172.8	27.6	-33.1	0	0	0	110.6	G398 Y399 H404	P396-G398 PolarHBondContact O-N 2.93Å; P396-Y399 WeakPolarHBondContact O-CB 3.27Å; P396-Y399 PolarHBondContact O-N 2.71Å; P396-H404 VanDerWaalsContact CG-CE1 3.41Å; P396-H404 WeakPolarHBondContact CG-CE1 3.41Å
397	Q	91.6	Very high	91.6	Very high	119 Å²	119	37 Å²	37	56%	0.556	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	130.1	177.3	-167.7	177.6	23	0	0	110.4
398	G	90.3	Very high	92.6	Very high	52 Å²	52	35.2 Å²	35.2	54%	0.536	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	29.4	-176.7	0	0	0	0	0	114.4	P396 E400 A401	P396-G398 PolarHBondContact O-N 2.93Å; G398-E400 PolarHBondContact O-N 3.34Å; G398-A401 PolarHBondContact O-N 3.44Å
399	Y	93.6	Very high	93.4	Very high	26 Å²	26	33.7 Å²	33.7	10%	0.102	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.3	-176.1	67.3	-93	0	0	0	115	L378 L395 P396 A401 N402 H404 Y481	L378-Y399 HydrophobicContact CD1-CE1 4.4Å; L395-Y399 HydrophobicContact CB-CD1 3.66Å; L395-Y399 HydrophobicContact CB-CE1 4.39Å; L395-Y399 HydrophobicContact CB-CG 3.84Å; L395-Y399 HydrophobicContact CD1-CD1 3.73Å; L395-Y399 HydrophobicContact CD1-CD2 3.83Å; L395-Y399 HydrophobicContact CD1-CE1 3.77Å; L395-Y399 HydrophobicContact CD1-CE2 3.9Å; L395-Y399 HydrophobicContact CD1-CG 3.78Å; L395-Y399 HydrophobicContact CG-CD1 4.3Å; L395-Y399 HydrophobicContact CG-CG 4.28Å; P396-Y399 WeakPolarHBondContact O-CB 3.27Å; P396-Y399 PolarHBondContact O-N 2.71Å; Y399-A401 PolarHBondContact O-N 3.19Å; Y399-A401 VanDerWaalsContact O-N 3.15Å; Y399-N402 PolarHBondContact O-N 3.32Å; Y399-H404 VanDerWaalsContact CA-NE2 3.35Å; Y399-H404 WeakPolarHBondContact CA-NE2 3.39Å; Y399-H404 PolarHBondContact O-CD2 2.99Å; Y399-H404 PolarHBondContact O-NE2 3.1Å; Y399-H404 VanDerWaalsContact O-NE2 3.09Å; Y399-Y481 AromaticContact CD2-CD1 3.73Å; Y399-Y481 HydrophobicContact CD2-CD1 3.73Å; Y399-Y481 AromaticContact CD2-CD2 3.68Å; Y399-Y481 HydrophobicContact CD2-CD2 3.68Å; Y399-Y481 HydrophobicContact CD2-CE1 4.07Å; Y399-Y481 HydrophobicContact CD2-CE2 4.04Å; Y399-Y481 AromaticContact CD2-CG 3.5Å; Y399-Y481 HydrophobicContact CD2-CG 3.5Å; Y399-Y481 AromaticContact CE2-CD1 3.49Å; Y399-Y481 HydrophobicContact CE2-CD1 3.49Å; Y399-Y481 VanDerWaalsContact CE2-CD1 3.49Å; Y399-Y481 HydrophobicContact CE2-CD2 4.02Å; Y399-Y481 AromaticContact CE2-CE1 3.43Å; Y399-Y481 HydrophobicContact CE2-CE1 3.43Å; Y399-Y481 VanDerWaalsContact CE2-CE1 3.43Å; Y399-Y481 AromaticContact CE2-CE2 3.99Å; Y399-Y481 HydrophobicContact CE2-CE2 3.99Å; Y399-Y481 AromaticContact CE2-CG 3.77Å; Y399-Y481 HydrophobicContact CE2-CG 3.77Å; Y399-Y481 AromaticContact CE2-CZ 3.66Å
400	E	92.2	Very high	93.7	Very high	151 Å²	151	34 Å²	34	71%	0.706	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66.6	-17	-176.2	-63	-176.5	165.1	0	0	113.3	G398	G398-E400 PolarHBondContact O-N 3.34Å
401	A	89.9	Confident	93.5	Very high	80 Å²	80	35.7 Å²	35.7	66%	0.661	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-81.4	-16.1	-176.6	0	0	0	0	0	114.5	G398 Y399	G398-A401 PolarHBondContact O-N 3.44Å; Y399-A401 PolarHBondContact O-N 3.19Å; Y399-A401 VanDerWaalsContact O-N 3.15Å
402	N	89.3	Confident	92.7	Very high	111 Å²	111	35.8 Å²	35.8	59%	0.594	21%	0.205	S	C	*	.	S	Bend	trans	-143.2	163.4	-172.1	-67.2	-64.6	0	0	0	112.6	Y399 H404	Y399-N402 PolarHBondContact O-N 3.32Å; N402-H404 PolarHBondContact O-CD2 3.44Å; N402-H404 VanDerWaalsContact O-CD2 3.24Å
403	L	93.2	Very high	92	Very high	100 Å²	100	36.9 Å²	36.9	52%	0.524	21%	0.213	S	C	.	.			trans	-86.9	121.6	169.1	-70	175	0	0	0	110.9	P480 D483 R486	L403-P480 WeakPolarHBondContact CD2-O 3.32Å; L403-D483 HydrophobicContact CB-CB 4.24Å; L403-R486 PolarHBondContact O-NH2 3Å
404	H	94.8	Very high	91	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.7	-175.9	-64.1	-72.5	0	0	0	111.6	P396 Y399 N402 S436 A438 Y481 D483	P396-H404 VanDerWaalsContact CG-CE1 3.41Å; P396-H404 WeakPolarHBondContact CG-CE1 3.41Å; Y399-H404 VanDerWaalsContact CA-NE2 3.35Å; Y399-H404 WeakPolarHBondContact CA-NE2 3.39Å; Y399-H404 PolarHBondContact O-CD2 2.99Å; Y399-H404 PolarHBondContact O-NE2 3.1Å; Y399-H404 VanDerWaalsContact O-NE2 3.09Å; N402-H404 PolarHBondContact O-CD2 3.44Å; N402-H404 VanDerWaalsContact O-CD2 3.24Å; H404-S436 PolarHBondContact ND1-O 3.26Å; H404-A438 HydrophobicContact CB-CB 4.1Å; H404-Y481 WeakPolarHBondContact CB-O 3.41Å; H404-Y481 PolarHBondContact CD2-O 3.26Å; H404-Y481 PolarHBondContact N-O 3.13Å; H404-D483 PolarHBondContact O-N 3.41Å
405	P	95.9	Very high	89.8	Confident	8 Å²	8	37.3 Å²	37.3	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	151.3	168.5	30.4	-34.2	0	0	0	109.7	V437 A438 R486 L624	P405-V437 HydrophobicContact CG-CB 4.33Å; P405-V437 HydrophobicContact CG-CG1 4.35Å; P405-V437 HydrophobicContact CG-CG2 3.94Å; P405-V437 CarbonylContact O-C 3.54Å; P405-V437 WeakPolarHBondContact O-CG1 3.36Å; P405-A438 PolarHBondContact O-N 3.11Å; P405-R486 CarbonylContact C-O 3.48Å; P405-R486 WeakPolarHBondContact CA-O 3.12Å; P405-R486 HydrophobicContact CB-CB 3.72Å; P405-L624 HydrophobicContact CB-CB 4.02Å; P405-L624 HydrophobicContact CB-CD1 4.19Å; P405-L624 HydrophobicContact CB-CD2 4.03Å; P405-L624 HydrophobicContact CB-CG 4.31Å; P405-L624 HydrophobicContact CG-CB 4.37Å
406	L	96.3	Very high	88.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.5	-174.8	-179.4	64.2	0	0	0	111.3	I408 A438 A440 M477 I482 R486 I487 A488	L406-I408 HydrophobicContact CD2-CD1 4.13Å; L406-I408 HydrophobicContact CD2-CG1 3.98Å; L406-I408 HydrophobicContact CG-CG1 4.04Å; L406-A438 HydrophobicContact CD1-CB 4.06Å; L406-A440 HydrophobicContact CD1-CB 3.94Å; L406-M477 HydrophobicContact CD2-CB 4.1Å; L406-M477 HydrophobicContact CD2-CG 4.02Å; L406-I482 HydrophobicContact CB-CG2 4.03Å; L406-I482 HydrophobicContact CD1-CD1 4.47Å; L406-I482 HydrophobicContact CD2-CG2 4.26Å; L406-R486 PolarHBondContact N-O 2.81Å; L406-I487 HydrophobicContact CB-CG1 4.37Å; L406-I487 HydrophobicContact CB-CG2 4.37Å; L406-I487 HydrophobicContact CD2-CG2 4.26Å; L406-I487 HydrophobicContact CG-CG2 4.42Å; L406-I487 CarbonylContact O-C 3.49Å; L406-I487 WeakPolarHBondContact O-CA 3.37Å; L406-A488 PolarHBondContact O-N 2.86Å
407	L	97.3	Very high	88.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.9	165.8	179.8	67.1	0	0	0	109.7	I409 W427 L431 V437 A438 L439 A440 A488 F490 L620	L407-I409 HydrophobicContact CD2-CD1 4.4Å; L407-I409 HydrophobicContact CD2-CG1 4.21Å; L407-I409 HydrophobicContact CG-CG1 4.24Å; L407-W427 HydrophobicContact CD2-CH2 3.84Å; L407-W427 HydrophobicContact CD2-CZ3 3.87Å; L407-L431 HydrophobicContact CD2-CD2 3.7Å; L407-V437 HydrophobicContact CB-CG1 3.91Å; L407-A438 PolarHBondContact N-O 2.71Å; L407-L439 HydrophobicContact CB-CD2 4.01Å; L407-L439 HydrophobicContact CD2-CD2 3.94Å; L407-L439 HydrophobicContact CG-CD2 4.47Å; L407-L439 CarbonylContact O-C 3.51Å; L407-L439 WeakPolarHBondContact O-CA 3.4Å; L407-A440 PolarHBondContact O-N 3.22Å; L407-A488 WeakPolarHBondContact CA-O 3.45Å; L407-A488 HydrophobicContact CD1-CB 3.95Å; L407-F490 HydrophobicContact CD1-CB 3.93Å; L407-L620 HydrophobicContact CD1-CD1 3.96Å; L407-L620 HydrophobicContact CD1-CD2 3.92Å; L407-L620 HydrophobicContact CD2-CD1 3.87Å
408	I	96.7	Very high	88.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.6	173.7	-57.1	167.8	0	0	0	108.7	L406 V410 A440 Y470 V474 I487 A488 L489 F490 F510	L406-I408 HydrophobicContact CD2-CD1 4.13Å; L406-I408 HydrophobicContact CD2-CG1 3.98Å; L406-I408 HydrophobicContact CG-CG1 4.04Å; I408-V410 HydrophobicContact CG2-CG2 4.1Å; I408-A440 HydrophobicContact CG1-CB 4.27Å; I408-Y470 HydrophobicContact CG2-CD1 4.01Å; I408-Y470 HydrophobicContact CG2-CE1 4.16Å; I408-V474 HydrophobicContact CD1-CG2 3.48Å; I408-V474 VanDerWaalsContact CD1-CG2 3.48Å; I408-I487 HydrophobicContact CD1-CG2 3.86Å; I408-I487 HydrophobicContact CG1-CG2 4.37Å; I408-A488 PolarHBondContact N-O 3.34Å; I408-L489 HydrophobicContact CB-CD2 3.91Å; I408-L489 HydrophobicContact CD1-CD2 4.24Å; I408-L489 HydrophobicContact CG2-CD2 4.42Å; I408-F490 PolarHBondContact O-N 3.02Å; I408-F510 HydrophobicContact CD1-CE1 4.27Å
409	I	96.2	Very high	88.3	Confident	19 Å²	19	32 Å²	32	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.6	178.4	-65.2	166.6	0	0	0	108.2	L407 P428 A440 W441 F490	L407-I409 HydrophobicContact CD2-CD1 4.4Å; L407-I409 HydrophobicContact CD2-CG1 4.21Å; L407-I409 HydrophobicContact CG-CG1 4.24Å; I409-P428 HydrophobicContact CD1-CB 3.85Å; I409-P428 HydrophobicContact CD1-CG 4.03Å; I409-A440 PolarHBondContact N-O 3.3Å; I409-W441 HydrophobicContact CB-CG 4.46Å; I409-W441 HydrophobicContact CD1-CD2 4.45Å; I409-W441 HydrophobicContact CD1-CH2 4.2Å; I409-W441 HydrophobicContact CD1-CZ2 3.45Å; I409-W441 VanDerWaalsContact CD1-CZ2 3.45Å; I409-F490 WeakPolarHBondContact CA-O 3.17Å; I409-F490 HydrophobicContact CG1-CD1 4.45Å; I409-F490 HydrophobicContact CG2-CD1 4.23Å
410	V	92.9	Very high	88.3	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.5	-173.2	-173.1	0	0	0	0	109.2	I408 Y470 L489 F490 G491 G495 L498 M502	I408-V410 HydrophobicContact CG2-CG2 4.1Å; V410-Y470 HydrophobicContact CB-CE1 4.4Å; V410-Y470 HydrophobicContact CG1-CE1 4.19Å; V410-Y470 HydrophobicContact CG1-CE2 3.91Å; V410-Y470 HydrophobicContact CG2-CD1 4.41Å; V410-Y470 HydrophobicContact CG2-CE1 4.05Å; V410-L489 HydrophobicContact CG2-CD2 4.49Å; V410-F490 PolarHBondContact N-O 2.93Å; V410-G491 WeakPolarHBondContact O-CA 3.42Å; V410-G495 VanDerWaalsContact O-CA 3.23Å; V410-G495 WeakPolarHBondContact O-CA 3.44Å; V410-L498 HydrophobicContact CG1-CB 3.55Å; V410-L498 HydrophobicContact CG1-CD1 3.98Å; V410-L498 HydrophobicContact CG1-CG 4.43Å; V410-M502 HydrophobicContact CG2-SD 4.32Å
411	D	84.6	Confident	88.3	Confident	41 Å²	41	26.2 Å²	26.2	22%	0.219	16%	0.155	C	C	.	.			trans	-109.5	-67.9	166.8	172.7	22.7	0	0	0	109.1	T413 S416 T418 Y470 G495	D411-T413 PolarHBondContact O-N 2.73Å; D411-T413 WeakPolarHBondContact OD1-CB 3.36Å; D411-T413 PolarHBondContact OD1-N 3.01Å; D411-T413 PolarHBondContact OD1-OG1 3.21Å; D411-S416 WeakPolarHBondContact OD2-CB 3.25Å; D411-S416 PolarHBondContact OD2-OG 2.89Å; D411-T418 HydrophobicContact CB-CG2 3.46Å; D411-T418 VanDerWaalsContact CB-CG2 3.46Å; D411-T418 WeakPolarHBondContact OD2-CG2 3.37Å; D411-Y470 PolarHBondContact N-OH 2.89Å; D411-G495 VanDerWaalsContact O-CA 3.23Å; D411-G495 WeakPolarHBondContact O-CA 3.19Å; D411-G495 PolarHBondContact O-N 2.78Å; D411-G495 VanDerWaalsContact O-N 3.14Å
412	G	75.5	Confident	88.6	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.031	14%	0.142	C	C	.	.			trans	64.8	16.6	175.7	0	0	0	0	0	114.8	R466 L494	G412-R466 WeakPolarHBondContact O-CD 3.33Å; G412-R466 PolarHBondContact O-NE 2.99Å; G412-R466 PolarHBondContact O-NH1 2.85Å; G412-R466 PolarHBondContact O-NH2 3.32Å; G412-R466 VanDerWaalsContact O-NH2 3.15Å; G412-L494 VanDerWaalsContact O-CD2 3.27Å; G412-L494 WeakPolarHBondContact O-CD2 3.34Å
413	T	79.6	Confident	88.8	Confident	38 Å²	38	23.5 Å²	23.5	23%	0.233	12%	0.124	C	C	.	.			trans	-66.4	127.8	171.6	-58.9	0	0	0	0	110.5	D411 G415 S416 R466	D411-T413 PolarHBondContact O-N 2.73Å; D411-T413 WeakPolarHBondContact OD1-CB 3.36Å; D411-T413 PolarHBondContact OD1-N 3.01Å; D411-T413 PolarHBondContact OD1-OG1 3.21Å; T413-G415 PolarHBondContact O-N 2.72Å; T413-S416 PolarHBondContact O-N 2.95Å; T413-S416 VanDerWaalsContact O-N 3.09Å; T413-S416 PolarHBondContact O-OG 3.1Å; T413-R466 PolarHBondContact O-NH2 3.2Å
414	P	74.1	Confident	88.7	Confident	7 Å²	7	21.9 Å²	21.9	5%	0.045	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	133.6	173.5	-25.3	35.4	0	0	0	112.1	N214 S416 L462 R466 F533	N214-P414 WeakPolarHBondContact CB-O 3.43Å; N214-P414 PolarHBondContact ND2-O 3.03Å; P414-S416 PolarHBondContact O-N 3.14Å; P414-L462 HydrophobicContact CG-CD1 3.47Å; P414-L462 VanDerWaalsContact CG-CD1 3.47Å; P414-R466 VanDerWaalsContact N-NH2 3.16Å; P414-F533 HydrophobicContact CB-CE1 3.57Å; P414-F533 HydrophobicContact CB-CZ 3.68Å; P414-F533 HydrophobicContact CG-CD1 4.16Å; P414-F533 HydrophobicContact CG-CE1 3.56Å; P414-F533 HydrophobicContact CG-CE2 4.21Å; P414-F533 HydrophobicContact CG-CZ 3.59Å
415	G	72	Confident	88.6	Confident	5 Å²	5	25.6 Å²	25.6	5%	0.052	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-9.9	-175.6	0	0	0	0	0	114.3	M212 Q215 T413	M212-G415 VanDerWaalsContact SD-CA 3.58Å; M212-G415 PolarHBondContact SD-N 3.45Å; M212-G415 VanDerWaalsContact SD-N 3.38Å; Q215-G415 VanDerWaalsContact CG-O 3.27Å; Q215-G415 WeakPolarHBondContact CG-O 3.33Å; Q215-G415 PolarHBondContact OE1-O 3.19Å; T413-G415 PolarHBondContact O-N 2.72Å
416	S	76.3	Confident	88.4	Confident	9 Å²	9	26.5 Å²	26.5	6%	0.063	15%	0.151	C	C	.	.			trans	-78.3	157.3	178.8	77.8	0	0	0	0	113.9	Q215 D411 T413 P414	Q215-S416 VanDerWaalsContact NE2-CA 3.3Å; D411-S416 WeakPolarHBondContact OD2-CB 3.25Å; D411-S416 PolarHBondContact OD2-OG 2.89Å; T413-S416 PolarHBondContact O-N 2.95Å; T413-S416 VanDerWaalsContact O-N 3.09Å; T413-S416 PolarHBondContact O-OG 3.1Å; P414-S416 PolarHBondContact O-N 3.14Å
417	Q	84.3	Confident	88.3	Confident	30 Å²	30	27.9 Å²	27.9	14%	0.14	16%	0.156	C	C	.	.			trans	-129.8	121.2	170.3	-175.5	178.8	22.5	0	0	109.3	R292 V419	R292-Q417 PolarHBondContact O-NE2 3.09Å; Q417-V419 WeakPolarHBondContact CG-O 3.16Å; Q417-V419 PolarHBondContact NE2-O 3.4Å
418	T	87.9	Confident	88.3	Confident	28 Å²	28	28.6 Å²	28.6	17%	0.172	16%	0.161	C	C	.	.			trans	-105.5	-27	173.5	65.8	0	0	0	0	112.4	D411 T420 D443	D411-T418 HydrophobicContact CB-CG2 3.46Å; D411-T418 VanDerWaalsContact CB-CG2 3.46Å; D411-T418 WeakPolarHBondContact OD2-CG2 3.37Å; T418-T420 PolarHBondContact O-N 3.26Å; T418-T420 VanDerWaalsContact O-N 3.1Å; T418-D443 WeakPolarHBondContact CA-OD1 3.34Å; T418-D443 WeakPolarHBondContact CB-OD1 3.23Å; T418-D443 PolarHBondContact N-OD1 3.22Å; T418-D443 PolarHBondContact OG1-OD1 3.5Å
419	V	91.8	Very high	88.2	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	17%	0.166	C	C	.	.			trans	-81.4	90.3	174.2	-178.5	0	0	0	0	109.1	E293 F379 H390 K392 Q417 W441 D443	E293-V419 HydrophobicContact CG-CG1 4.01Å; F379-V419 HydrophobicContact CD1-CG1 3.75Å; F379-V419 HydrophobicContact CE1-CG1 3.99Å; H390-V419 HydrophobicContact CB-CG1 4.14Å; K392-V419 HydrophobicContact CB-CG1 4.08Å; K392-V419 HydrophobicContact CB-CG2 4.32Å; Q417-V419 WeakPolarHBondContact CG-O 3.16Å; Q417-V419 PolarHBondContact NE2-O 3.4Å; V419-W441 HydrophobicContact CG2-CB 4.39Å; V419-W441 WeakPolarHBondContact CG2-O 3.47Å; V419-D443 WeakPolarHBondContact CB-OD2 3.41Å; V419-D443 PolarHBondContact N-OD1 3.37Å
420	T	92.9	Very high	88	Confident	16 Å²	16	32 Å²	32	10%	0.098	18%	0.182	C	C	.	.			trans	-137.5	152	-176.7	177.1	0	0	0	0	112.2	F321 K392 T418 E422	F321-T420 WeakPolarHBondContact CD2-OG1 3.35Å; F321-T420 WeakPolarHBondContact CE2-OG1 3.33Å; K392-T420 PolarHBondContact NZ-O 2.76Å; T418-T420 PolarHBondContact O-N 3.26Å; T418-T420 VanDerWaalsContact O-N 3.1Å; T420-E422 HydrophobicContact CG2-CB 3.84Å; T420-E422 WeakPolarHBondContact OG1-CB 3.32Å; T420-E422 PolarHBondContact OG1-N 3.24Å
421	E	93.8	Very high	88.1	Confident	41 Å²	41	31.8 Å²	31.8	19%	0.192	18%	0.18	C	C	.	.			trans	-78.5	0.6	167.6	-71.8	180	-176.7	0	0	113.2	E293 G320 F321 G339 P340 F379 F423	E293-E421 HydrophobicContact CB-CG 3.96Å; E293-E421 PolarHBondContact O-N 3.07Å; G320-E421 WeakPolarHBondContact CA-OE2 3.16Å; F321-E421 HydrophobicContact CB-CB 4.47Å; G339-E421 CarbonylContact C-O 3.55Å; G339-E421 WeakPolarHBondContact CA-O 3.32Å; P340-E421 WeakPolarHBondContact CA-O 3.46Å; P340-E421 HydrophobicContact CB-CB 4.35Å; F379-E421 HydrophobicContact CE2-CG 3.91Å; F379-E421 HydrophobicContact CZ-CG 3.79Å; E421-F423 PolarHBondContact O-N 2.95Å
422	E	94.7	Very high	88.7	Confident	83 Å²	83	29.9 Å²	29.9	39%	0.388	17%	0.17	S	C	.	.			trans	-59.1	132.2	175.6	-169.8	170.6	-159.3	0	0	111.7	F321 L338 T420 S424	F321-E422 HydrophobicContact CD1-CB 4.23Å; F321-E422 HydrophobicContact CD1-CG 4.4Å; F321-E422 HydrophobicContact CD2-CB 4.32Å; F321-E422 HydrophobicContact CE1-CB 4.38Å; F321-E422 HydrophobicContact CE1-CG 4.48Å; F321-E422 HydrophobicContact CE2-CB 4.49Å; F321-E422 HydrophobicContact CG-CB 4.17Å; F321-E422 HydrophobicContact CZ-CB 4.5Å; L338-E422 HydrophobicContact CB-CG 4.21Å; T420-E422 HydrophobicContact CG2-CB 3.84Å; T420-E422 WeakPolarHBondContact OG1-CB 3.32Å; T420-E422 PolarHBondContact OG1-N 3.24Å; E422-S424 PolarHBondContact O-N 3.4Å
423	F	94.5	Very high	89.5	Confident	50 Å²	50	32.1 Å²	32.1	22%	0.219	19%	0.185	C	C	.	.			trans	-67.8	126.1	179	176	-91.2	0	0	0	109.6	L338 G341 I342 P343 L365 L369 E421 L425	L338-F423 WeakPolarHBondContact O-CB 3.47Å; L338-F423 PolarHBondContact O-N 3.03Å; G341-F423 WeakPolarHBondContact O-CB 3.35Å; I342-F423 HydrophobicContact CG1-CE2 4.39Å; P343-F423 HydrophobicContact CG-CB 4.04Å; P343-F423 HydrophobicContact CG-CD1 3.84Å; P343-F423 HydrophobicContact CG-CG 4.16Å; L365-F423 HydrophobicContact CD2-CE1 4.16Å; L365-F423 HydrophobicContact CD2-CZ 4.35Å; L369-F423 HydrophobicContact CD1-CZ 4.06Å; E421-F423 PolarHBondContact O-N 2.95Å; F423-L425 HydrophobicContact CE1-CB 4.31Å; F423-L425 HydrophobicContact CZ-CB 4.26Å; F423-L425 HydrophobicContact CZ-CD1 3.98Å
424	S	91.8	Very high	90.1	Very high	66 Å²	66	34.6 Å²	34.6	46%	0.462	20%	0.2	S	C	.	.			trans	-143.4	139.5	175.6	54.7	0	0	0	0	110.4	E422 Q429	E422-S424 PolarHBondContact O-N 3.4Å; S424-Q429 PolarHBondContact O-NE2 3.42Å
425	L	91.1	Very high	91	Very high	87 Å²	87	37 Å²	37	46%	0.455	21%	0.211	S	C	.	.			trans	-138	109.6	179.2	-152	151	0	0	0	108.7	L369 L374 F423	L369-L425 HydrophobicContact CD1-CD1 3.86Å; L369-L425 HydrophobicContact CD2-CD1 3.69Å; L369-L425 HydrophobicContact CG-CD1 4.44Å; L374-L425 HydrophobicContact CD2-CD1 4.2Å; F423-L425 HydrophobicContact CE1-CB 4.31Å; F423-L425 HydrophobicContact CZ-CB 4.26Å; F423-L425 HydrophobicContact CZ-CD1 3.98Å
426	G	92.8	Very high	92.1	Very high	26 Å²	26	39.4 Å²	39.4	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	-148	-166.4	-178.5	0	0	0	0	0	112	P428 Q429 V430	G426-P428 VanDerWaalsContact C-N 3.29Å; G426-Q429 PolarHBondContact O-N 2.89Å; G426-Q429 PolarHBondContact O-OE1 2.94Å; G426-V430 WeakPolarHBondContact O-CG2 3.16Å; G426-V430 PolarHBondContact O-N 3.46Å
427	W	94.6	Very high	93	Very high	29 Å²	29	39.2 Å²	39.2	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-31.5	178.8	74.2	-96.4	0	0	0	114.2	L407 V430 L431 F490 Q613 V616 V617 L620	L407-W427 HydrophobicContact CD2-CH2 3.84Å; L407-W427 HydrophobicContact CD2-CZ3 3.87Å; W427-V430 PolarHBondContact O-N 2.95Å; W427-L431 HydrophobicContact CZ3-CD2 4.14Å; W427-L431 PolarHBondContact O-N 3.47Å; W427-F490 HydrophobicContact CH2-CB 4.29Å; W427-F490 HydrophobicContact CH2-CD1 4.16Å; W427-F490 AromaticContact CH2-CD2 3.74Å; W427-F490 HydrophobicContact CH2-CD2 3.74Å; W427-F490 HydrophobicContact CH2-CE1 4.49Å; W427-F490 HydrophobicContact CH2-CE2 4.09Å; W427-F490 AromaticContact CH2-CG 3.78Å; W427-F490 HydrophobicContact CH2-CG 3.78Å; W427-F490 HydrophobicContact CH2-CZ 4.47Å; W427-F490 AromaticContact CZ2-CD1 3.8Å; W427-F490 HydrophobicContact CZ2-CD1 3.8Å; W427-F490 AromaticContact CZ2-CD2 3.67Å; W427-F490 HydrophobicContact CZ2-CD2 3.67Å; W427-F490 AromaticContact CZ2-CE1 3.7Å; W427-F490 HydrophobicContact CZ2-CE1 3.7Å; W427-F490 AromaticContact CZ2-CE2 3.56Å; W427-F490 HydrophobicContact CZ2-CE2 3.56Å; W427-F490 AromaticContact CZ2-CG 3.8Å; W427-F490 HydrophobicContact CZ2-CG 3.8Å; W427-F490 AromaticContact CZ2-CZ 3.59Å; W427-F490 HydrophobicContact CZ2-CZ 3.59Å; W427-Q613 HydrophobicContact CB-CB 4.14Å; W427-Q613 HydrophobicContact CB-CG 4.12Å; W427-Q613 HydrophobicContact CG-CG 4.43Å; W427-V616 HydrophobicContact CD2-CG1 4.27Å; W427-V616 HydrophobicContact CE3-CG1 4.05Å; W427-V616 HydrophobicContact CH2-CG1 3.69Å; W427-V616 HydrophobicContact CZ2-CG1 3.92Å; W427-V616 HydrophobicContact CZ3-CG1 3.76Å; W427-V617 HydrophobicContact CB-CG2 4.03Å; W427-V617 HydrophobicContact CE3-CG2 3.93Å; W427-L620 HydrophobicContact CH2-CD1 3.78Å; W427-L620 HydrophobicContact CZ3-CD1 3.58Å
428	P	95.7	Very high	93.6	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.104	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-46.2	176.5	-22.8	35.8	0	0	0	111.8	I409 G426 V430 L431 C432 L439 W441	I409-P428 HydrophobicContact CD1-CB 3.85Å; I409-P428 HydrophobicContact CD1-CG 4.03Å; G426-P428 VanDerWaalsContact C-N 3.29Å; P428-V430 VanDerWaalsContact C-N 3.25Å; P428-V430 PolarHBondContact O-N 3.44Å; P428-L431 WeakPolarHBondContact O-CB 3.49Å; P428-L431 PolarHBondContact O-N 3.44Å; P428-L431 VanDerWaalsContact O-N 3.11Å; P428-C432 PolarHBondContact O-N 3.24Å; P428-L439 HydrophobicContact CB-CD1 3.76Å; P428-L439 HydrophobicContact CB-CD2 4.43Å; P428-L439 WeakPolarHBondContact O-CD1 3.21Å; P428-W441 HydrophobicContact CB-CZ2 4.42Å
429	Q	94.7	Very high	94	Very high	23 Å²	23	36.4 Å²	36.4	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-34.4	177.8	-68.7	76.7	14.9	0	0	111.5	P375 S424 G426 C432 S433	P375-Q429 HydrophobicContact CG-CB 4.32Å; P375-Q429 HydrophobicContact CG-CG 4.26Å; S424-Q429 PolarHBondContact O-NE2 3.42Å; G426-Q429 PolarHBondContact O-N 2.89Å; G426-Q429 PolarHBondContact O-OE1 2.94Å; Q429-C432 PolarHBondContact O-N 3.39Å; Q429-S433 VanDerWaalsContact O-CB 3.25Å; Q429-S433 WeakPolarHBondContact O-CB 3.24Å; Q429-S433 PolarHBondContact O-N 2.84Å
430	V	93.2	Very high	94.3	Very high	69 Å²	69	36.4 Å²	36.4	42%	0.418	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-44.5	172.8	176.3	0	0	0	0	111.2	G426 W427 P428 S433 T434	G426-V430 WeakPolarHBondContact O-CG2 3.16Å; G426-V430 PolarHBondContact O-N 3.46Å; W427-V430 PolarHBondContact O-N 2.95Å; P428-V430 VanDerWaalsContact C-N 3.25Å; P428-V430 PolarHBondContact O-N 3.44Å; V430-S433 PolarHBondContact O-N 3.42Å; V430-T434 WeakPolarHBondContact O-CB 3.23Å; V430-T434 PolarHBondContact O-N 2.87Å; V430-T434 PolarHBondContact O-OG1 2.8Å
431	L	94.9	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-44.6	176	-177	71.9	0	0	0	111.2	L407 W427 P428 H435 V437 V617 L620	L407-L431 HydrophobicContact CD2-CD2 3.7Å; W427-L431 HydrophobicContact CZ3-CD2 4.14Å; W427-L431 PolarHBondContact O-N 3.47Å; P428-L431 WeakPolarHBondContact O-CB 3.49Å; P428-L431 PolarHBondContact O-N 3.44Å; P428-L431 VanDerWaalsContact O-N 3.11Å; L431-H435 HydrophobicContact CD1-CB 4.14Å; L431-H435 WeakPolarHBondContact O-CA 3.47Å; L431-H435 WeakPolarHBondContact O-CB 3.4Å; L431-H435 PolarHBondContact O-N 2.94Å; L431-V437 HydrophobicContact CD1-CG2 3.99Å; L431-V437 HydrophobicContact CD2-CB 4.25Å; L431-V437 HydrophobicContact CD2-CG1 4.12Å; L431-V437 HydrophobicContact CD2-CG2 4.27Å; L431-V437 HydrophobicContact CG-CB 3.96Å; L431-V437 HydrophobicContact CG-CG1 4.39Å; L431-V437 HydrophobicContact CG-CG2 3.79Å; L431-V617 HydrophobicContact CD1-CG1 4.18Å; L431-L620 HydrophobicContact CD2-CB 4.35Å; L431-L620 HydrophobicContact CD2-CD1 4.2Å
432	C	95.8	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-51.5	177.3	-175.3	0	0	0	0	112.4	P375 L395 P428 Q429 S436 V437 L439	P375-C432 HydrophobicContact CB-CB 4.38Å; L395-C432 VanDerWaalsContact C-SG 3.56Å; P428-C432 PolarHBondContact O-N 3.24Å; Q429-C432 PolarHBondContact O-N 3.39Å; C432-S436 VanDerWaalsContact O-CA 3.26Å; C432-S436 WeakPolarHBondContact O-CA 3.45Å; C432-S436 PolarHBondContact O-N 2.77Å; C432-V437 VanDerWaalsContact CA-O 3.23Å; C432-V437 WeakPolarHBondContact CA-O 3.5Å; C432-V437 WeakPolarHBondContact CB-O 3.38Å; C432-V437 PolarHBondContact SG-O 3.47Å; C432-L439 HydrophobicContact CB-CD1 3.75Å; C432-L439 HydrophobicContact CB-CD2 4.42Å; C432-L439 HydrophobicContact CB-CG 3.9Å
433	S	93.9	Very high	93.8	Very high	50 Å²	50	31.5 Å²	31.5	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-67.9	-42	-177.1	-179.2	0	0	0	0	113	R373 Q429 V430	R373-S433 WeakPolarHBondContact O-CB 3.49Å; R373-S433 PolarHBondContact O-OG 2.88Å; Q429-S433 VanDerWaalsContact O-CB 3.25Å; Q429-S433 WeakPolarHBondContact O-CB 3.24Å; Q429-S433 PolarHBondContact O-N 2.84Å; V430-S433 PolarHBondContact O-N 3.42Å
434	T	92.5	Very high	92.9	Very high	90 Å²	90	29.4 Å²	29.4	55%	0.552	18%	0.178	S	C	*	.	H	α-helix	trans	-89.5	-35.2	-172.2	-46.9	0	0	0	0	112.7	V430	V430-T434 WeakPolarHBondContact O-CB 3.23Å; V430-T434 PolarHBondContact O-N 2.87Å; V430-T434 PolarHBondContact O-OG1 2.8Å
435	H	92.8	Very high	92	Very high	59 Å²	59	29.3 Å²	29.3	27%	0.273	17%	0.167	S	C	.	.	H	α-helix	trans	-113.9	7.5	-173.1	-57.7	-64.1	0	0	0	113.3	L431 V437 Q621	L431-H435 HydrophobicContact CD1-CB 4.14Å; L431-H435 WeakPolarHBondContact O-CA 3.47Å; L431-H435 WeakPolarHBondContact O-CB 3.4Å; L431-H435 PolarHBondContact O-N 2.94Å; H435-V437 HydrophobicContact CB-CG2 4.06Å; H435-V437 PolarHBondContact O-N 3.03Å; H435-Q621 PolarHBondContact CE1-NE2 2.86Å; H435-Q621 PolarHBondContact CE1-OE1 2.89Å; H435-Q621 PolarHBondContact ND1-NE2 3.35Å; H435-Q621 PolarHBondContact NE2-OE1 3.3Å
436	S	94.3	Very high	90.8	Very high	55 Å²	55	25.8 Å²	25.8	39%	0.385	15%	0.15	S	C	.	.			trans	54.7	37.6	176.6	-57.3	0	0	0	0	113.2	H404 C432	H404-S436 PolarHBondContact ND1-O 3.26Å; C432-S436 VanDerWaalsContact O-CA 3.26Å; C432-S436 WeakPolarHBondContact O-CA 3.45Å; C432-S436 PolarHBondContact O-N 2.77Å
437	V	95.8	Very high	89.5	Confident	4 Å²	4	25 Å²	25	2%	0.024	14%	0.142	C	C	.	.			trans	-91.6	127.7	175.9	-177.9	0	0	0	0	109.3	P405 L407 L431 C432 H435 L439 L624	P405-V437 HydrophobicContact CG-CB 4.33Å; P405-V437 HydrophobicContact CG-CG1 4.35Å; P405-V437 HydrophobicContact CG-CG2 3.94Å; P405-V437 CarbonylContact O-C 3.54Å; P405-V437 WeakPolarHBondContact O-CG1 3.36Å; L407-V437 HydrophobicContact CB-CG1 3.91Å; L431-V437 HydrophobicContact CD1-CG2 3.99Å; L431-V437 HydrophobicContact CD2-CB 4.25Å; L431-V437 HydrophobicContact CD2-CG1 4.12Å; L431-V437 HydrophobicContact CD2-CG2 4.27Å; L431-V437 HydrophobicContact CG-CB 3.96Å; L431-V437 HydrophobicContact CG-CG1 4.39Å; L431-V437 HydrophobicContact CG-CG2 3.79Å; C432-V437 VanDerWaalsContact CA-O 3.23Å; C432-V437 WeakPolarHBondContact CA-O 3.5Å; C432-V437 WeakPolarHBondContact CB-O 3.38Å; C432-V437 PolarHBondContact SG-O 3.47Å; H435-V437 HydrophobicContact CB-CG2 4.06Å; H435-V437 PolarHBondContact O-N 3.03Å; V437-L439 HydrophobicContact CG1-CD2 4.5Å; V437-L624 HydrophobicContact CG1-CD1 3.94Å; V437-L624 HydrophobicContact CG2-CD1 4.31Å
438	A	96.7	Very high	88.3	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	139.1	171.5	0	0	0	0	0	110.3	L395 H404 P405 L406 L407 I482	L395-A438 HydrophobicContact CD2-CB 3.6Å; H404-A438 HydrophobicContact CB-CB 4.1Å; P405-A438 PolarHBondContact O-N 3.11Å; L406-A438 HydrophobicContact CD1-CB 4.06Å; L407-A438 PolarHBondContact N-O 2.71Å; A438-I482 HydrophobicContact CB-CD1 3.37Å
439	L	96.8	Very high	86.7	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.9	178.8	-48.6	174.3	0	0	0	110.3	L393 T394 L407 P428 C432 V437 W441	L393-L439 CarbonylContact C-O 3.58Å; L393-L439 VanDerWaalsContact CA-O 3.31Å; L393-L439 WeakPolarHBondContact CA-O 3.47Å; T394-L439 HydrophobicContact CG2-CD1 4.2Å; T394-L439 PolarHBondContact N-O 3.43Å; T394-L439 PolarHBondContact O-N 2.75Å; L407-L439 HydrophobicContact CB-CD2 4.01Å; L407-L439 HydrophobicContact CD2-CD2 3.94Å; L407-L439 HydrophobicContact CG-CD2 4.47Å; L407-L439 CarbonylContact O-C 3.51Å; L407-L439 WeakPolarHBondContact O-CA 3.4Å; P428-L439 HydrophobicContact CB-CD1 3.76Å; P428-L439 HydrophobicContact CB-CD2 4.43Å; P428-L439 WeakPolarHBondContact O-CD1 3.21Å; C432-L439 HydrophobicContact CB-CD1 3.75Å; C432-L439 HydrophobicContact CB-CD2 4.42Å; C432-L439 HydrophobicContact CB-CG 3.9Å; V437-L439 HydrophobicContact CG1-CD2 4.5Å; L439-W441 HydrophobicContact CB-CE3 4.32Å; L439-W441 HydrophobicContact CB-CH2 3.62Å; L439-W441 HydrophobicContact CB-CZ3 3.45Å; L439-W441 VanDerWaalsContact CB-CZ3 3.45Å; L439-W441 HydrophobicContact CD1-CH2 3.48Å; L439-W441 VanDerWaalsContact CD1-CH2 3.48Å; L439-W441 HydrophobicContact CD1-CZ2 4.35Å; L439-W441 HydrophobicContact CD1-CZ3 4.12Å; L439-W441 HydrophobicContact CG-CH2 4.21Å; L439-W441 HydrophobicContact CG-CZ3 4.46Å
440	A	96.1	Very high	85.4	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.8	175.3	0	0	0	0	0	111.6	L391 K392 L393 L406 L407 I408 I409 M477	L391-A440 HydrophobicContact CD1-CB 3.9Å; K392-A440 WeakPolarHBondContact O-CA 3.11Å; L393-A440 HydrophobicContact CD2-CB 4.04Å; L406-A440 HydrophobicContact CD1-CB 3.94Å; L407-A440 PolarHBondContact O-N 3.22Å; I408-A440 HydrophobicContact CG1-CB 4.27Å; I409-A440 PolarHBondContact N-O 3.3Å; A440-M477 HydrophobicContact CB-CE 3.72Å
441	W	94.6	Very high	84.2	Confident	28 Å²	28	22 Å²	22	11%	0.106	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.7	165.8	-64.3	-100.9	0	0	0	109.3	L391 K392 T394 I409 V419 P428 L439	L391-W441 WeakPolarHBondContact CA-O 3.36Å; L391-W441 WeakPolarHBondContact CD1-O 3.22Å; K392-W441 HydrophobicContact CB-CB 4.29Å; K392-W441 HydrophobicContact CB-CE3 4.24Å; K392-W441 HydrophobicContact CD-CE3 4.19Å; K392-W441 HydrophobicContact CG-CE3 4.1Å; K392-W441 PolarHBondContact N-O 2.87Å; K392-W441 PolarHBondContact O-N 2.85Å; T394-W441 VanDerWaalsContact OG1-CZ3 3.24Å; T394-W441 WeakPolarHBondContact OG1-CZ3 3.45Å; I409-W441 HydrophobicContact CB-CG 4.46Å; I409-W441 HydrophobicContact CD1-CD2 4.45Å; I409-W441 HydrophobicContact CD1-CH2 4.2Å; I409-W441 HydrophobicContact CD1-CZ2 3.45Å; I409-W441 VanDerWaalsContact CD1-CZ2 3.45Å; V419-W441 HydrophobicContact CG2-CB 4.39Å; V419-W441 WeakPolarHBondContact CG2-O 3.47Å; P428-W441 HydrophobicContact CB-CZ2 4.42Å; L439-W441 HydrophobicContact CB-CE3 4.32Å; L439-W441 HydrophobicContact CB-CH2 3.62Å; L439-W441 HydrophobicContact CB-CZ3 3.45Å; L439-W441 VanDerWaalsContact CB-CZ3 3.45Å; L439-W441 HydrophobicContact CD1-CH2 3.48Å; L439-W441 VanDerWaalsContact CD1-CH2 3.48Å; L439-W441 HydrophobicContact CD1-CZ2 4.35Å; L439-W441 HydrophobicContact CD1-CZ3 4.12Å; L439-W441 HydrophobicContact CG-CH2 4.21Å; L439-W441 HydrophobicContact CG-CZ3 4.46Å
442	V	90.4	Very high	82.8	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.9	-176.4	-177	0	0	0	0	108.2	H390 L391 Y470 V473	H390-V442 WeakPolarHBondContact O-CA 3.32Å; L391-V442 HydrophobicContact CD1-CG2 3.88Å; V442-Y470 HydrophobicContact CB-CD1 4.05Å; V442-Y470 HydrophobicContact CB-CE1 3.64Å; V442-Y470 HydrophobicContact CG1-CE1 4.39Å; V442-Y470 HydrophobicContact CG2-CD1 4.12Å; V442-Y470 HydrophobicContact CG2-CE1 4.04Å; V442-Y470 PolarHBondContact O-OH 3.33Å; V442-V473 HydrophobicContact CG1-CG2 3.7Å; V442-V473 HydrophobicContact CG2-CB 4.17Å; V442-V473 HydrophobicContact CG2-CG1 3.78Å; V442-V473 HydrophobicContact CG2-CG2 4Å
443	D	86.4	Confident	81.2	Confident	7 Å²	7	29.5 Å²	29.5	4%	0.037	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.9	153.5	-5.7	-71.5	0	0	0	110.9	H390 T418 V419 R450	H390-D443 PolarHBondContact N-O 3.13Å; H390-D443 PolarHBondContact O-N 3.48Å; H390-D443 VanDerWaalsContact O-N 3.16Å; T418-D443 WeakPolarHBondContact CA-OD1 3.34Å; T418-D443 WeakPolarHBondContact CB-OD1 3.23Å; T418-D443 PolarHBondContact N-OD1 3.22Å; T418-D443 PolarHBondContact OG1-OD1 3.5Å; V419-D443 WeakPolarHBondContact CB-OD2 3.41Å; V419-D443 PolarHBondContact N-OD1 3.37Å; D443-R450 VanDerWaalsContact O-CZ 3.31Å; D443-R450 PolarHBondContact O-NH1 3.45Å; D443-R450 PolarHBondContact O-NH2 3.11Å; D443-R450 VanDerWaalsContact O-NH2 3.13Å; D443-R450 IonicContact OD2-CZ 3.6Å; D443-R450 IonicContact OD2-NE 3.87Å; D443-R450 IonicContact OD2-NH2 3.01Å; D443-R450 PolarHBondContact OD2-NH2 3.16Å
444	G	77.1	Confident	78.9	Confident	7 Å²	7	32 Å²	32	7%	0.072	17%	0.174	C	C	.	.			trans	-104.3	-141.6	-171.5	0	0	0	0	0	113.8	S446 R450	G444-S446 PolarHBondContact O-N 3.16Å; G444-R450 PolarHBondContact O-NH1 2.79Å
445	R	72.8	Confident	76.4	Confident	63 Å²	63	34.4 Å²	34.4	24%	0.238	19%	0.188	C	C	.	.	S	Bend	trans	-56.8	-23.5	-176.2	-66.4	157.8	-160.2	-119.6	-4.3	115.5	H387 V457 D469	H387-R445 PolarHBondContact CE1-NE 3.21Å; H387-R445 WeakPolarHBondContact NE2-CG 3.21Å; R445-V457 HydrophobicContact CB-CG2 3.86Å; R445-D469 WeakPolarHBondContact CD-OD2 3.36Å; R445-D469 VanDerWaalsContact CG-OD2 3.27Å; R445-D469 WeakPolarHBondContact CG-OD2 3.45Å; R445-D469 IonicContact CZ-OD1 2.8Å; R445-D469 VanDerWaalsContact CZ-OD1 3.28Å; R445-D469 PolarHBondContact N-OD2 3.27Å; R445-D469 VanDerWaalsContact NE-CG 3.3Å; R445-D469 IonicContact NE-OD1 2.69Å; R445-D469 PolarHBondContact NE-OD1 2.71Å; R445-D469 IonicContact NE-OD2 3.95Å; R445-D469 PolarHBondContact NE-OD2 2.92Å; R445-D469 IonicContact NH2-OD1 2.73Å; R445-D469 PolarHBondContact NH2-OD1 3.31Å
446	S	65.8	Low	74.1	Confident	13 Å²	13	34.5 Å²	34.5	9%	0.091	20%	0.199	C	C	.	.	S	Bend	trans	-122.3	130.1	-179.6	44.4	0	0	0	0	110.4	M212 G444 R466	M212-S446 WeakPolarHBondContact SD-CB 3.3Å; G444-S446 PolarHBondContact O-N 3.16Å; S446-R466 PolarHBondContact OG-NH2 3.28Å
447	G	65.1	Low	72.3	Confident	9 Å²	9	35.2 Å²	35.2	9%	0.093	20%	0.201	C	C	.	.	S	Bend	trans	167.5	167.9	178.1	0	0	0	0	0	111.1
448	V	69.1	Low	70.5	Confident	26 Å²	26	38 Å²	38	16%	0.158	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	139.6	-178.8	-170.7	0	0	0	0	111.2	D269 T271 T288	D269-V448 HydrophobicContact CB-CG1 4.03Å; T271-V448 HydrophobicContact CG2-CG1 3.48Å; T271-V448 VanDerWaalsContact CG2-CG1 3.48Å; T288-V448 HydrophobicContact CG2-CG1 3.93Å
449	G	62.9	Low	68.7	Low	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	13.2	177.9	0	0	0	0	0	115.1	D269 R292	D269-G449 VanDerWaalsContact OD2-CA 3.26Å; D269-G449 WeakPolarHBondContact OD2-CA 3.36Å; D269-G449 PolarHBondContact OD2-N 3.42Å; R292-G449 PolarHBondContact NE-O 2.81Å
450	R	67.4	Low	67.1	Low	34 Å²	34	44.8 Å²	44.8	13%	0.128	25%	0.245	C	C	.	.	S	Bend	trans	-111.8	-18.4	-163	-64.3	-179.3	180	-128.8	-0.2	116.2	H390 D443 G444	H390-R450 VanDerWaalsContact CB-NH2 3.34Å; H390-R450 VanDerWaalsContact CD2-CZ 3.48Å; D443-R450 VanDerWaalsContact O-CZ 3.31Å; D443-R450 PolarHBondContact O-NH1 3.45Å; D443-R450 PolarHBondContact O-NH2 3.11Å; D443-R450 VanDerWaalsContact O-NH2 3.13Å; D443-R450 IonicContact OD2-CZ 3.6Å; D443-R450 IonicContact OD2-NE 3.87Å; D443-R450 IonicContact OD2-NH2 3.01Å; D443-R450 PolarHBondContact OD2-NH2 3.16Å; G444-R450 PolarHBondContact O-NH1 2.79Å
451	G	67.3	Low	65.8	Low	15 Å²	15	49.9 Å²	49.9	16%	0.155	27%	0.268	C	S	.	.			trans	73.7	115	-177	0	0	0	0	0	111.6	E242 F243	E242-G451 CarbonylContact O-C 3.58Å; E242-G451 VanDerWaalsContact O-CA 3.23Å; E242-G451 WeakPolarHBondContact O-CA 3.14Å; F243-G451 VanDerWaalsContact CE1-CA 3.41Å; F243-G451 VanDerWaalsContact CE2-CA 3.43Å
452	Q	65.5	Low	64.6	Low	51 Å²	51	49.2 Å²	49.2	24%	0.238	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-84.2	118.7	176.7	-62.1	-170.2	33	0	0	110.2	D210 M212 G241 E242 T454	D210-Q452 VanDerWaalsContact CG-NE2 3.27Å; D210-Q452 PolarHBondContact OD1-NE2 3.16Å; D210-Q452 PolarHBondContact OD1-OE1 3.41Å; D210-Q452 PolarHBondContact OD2-NE2 3.35Å; M212-Q452 HydrophobicContact CE-CG 4.01Å; G241-Q452 CarbonylContact C-O 3.53Å; G241-Q452 WeakPolarHBondContact CA-O 3.24Å; E242-Q452 WeakPolarHBondContact CB-O 3.31Å; E242-Q452 PolarHBondContact N-O 3.04Å; E242-Q452 PolarHBondContact O-N 2.9Å; Q452-T454 PolarHBondContact O-N 3.44Å
453	K	61.9	Low	63.8	Low	106 Å²	106	49.2 Å²	49.2	46%	0.461	27%	0.267	S	S	.	.			trans	-79.9	115.9	163.8	-68.2	178.2	-176.2	169.4	0	107	N386 V455 A456	N386-K453 PolarHBondContact O-NZ 2.74Å; K453-V455 PolarHBondContact O-N 3.44Å; K453-A456 HydrophobicContact CB-CB 4.23Å; K453-A456 PolarHBondContact O-N 2.98Å; K453-A456 VanDerWaalsContact O-N 3.12Å
454	T	45.9	Very low	63.6	Low	102 Å²	102	52 Å²	52	63%	0.626	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-1.5	-173.1	-11	0	0	0	0	116.1	E242 Q452	E242-T454 WeakPolarHBondContact OE1-CG2 3.4Å; E242-T454 PolarHBondContact OE1-OG1 2.96Å; Q452-T454 PolarHBondContact O-N 3.44Å
455	V	39.2	Very low	63.8	Low	141 Å²	141	53 Å²	53	86%	0.855	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-11.5	-171	-176.8	0	0	0	0	113.3	K453	K453-V455 PolarHBondContact O-N 3.44Å
456	A	45.6	Very low	64.3	Low	61 Å²	61	50.9 Å²	50.9	50%	0.504	28%	0.279	S	S	.	.	S	Bend	trans	-96.5	-10.6	-156.2	0	0	0	0	0	117.8	K453	K453-A456 HydrophobicContact CB-CB 4.23Å; K453-A456 PolarHBondContact O-N 2.98Å; K453-A456 VanDerWaalsContact O-N 3.12Å
457	V	55	Low	65.4	Low	70 Å²	70	50.8 Å²	50.8	42%	0.424	28%	0.278	S	S	.	.			trans	-126.8	99.3	-179.7	-171.4	0	0	0	0	108.9	R445 P459 L465	R445-V457 HydrophobicContact CB-CG2 3.86Å; V457-P459 WeakPolarHBondContact O-CD 3.38Å; V457-P459 VanDerWaalsContact O-N 3.11Å; V457-L465 HydrophobicContact CG1-CD1 4.21Å
458	D	58.9	Low	66.5	Low	62 Å²	62	56.3 Å²	56.3	33%	0.332	30%	0.3	S	S	.	.			trans	-61.2	110.8	164.5	179.8	0.5	0	0	0	107.3	R460 K461	D458-R460 PolarHBondContact O-N 2.85Å; D458-R460 WeakPolarHBondContact OD1-CB 3.48Å; D458-R460 WeakPolarHBondContact OD1-CG 3.31Å; D458-R460 PolarHBondContact OD1-N 3.48Å; D458-K461 HydrophobicContact CB-CB 4.5Å; D458-K461 HydrophobicContact CB-CD 4.25Å; D458-K461 HydrophobicContact CB-CG 4.19Å; D458-K461 PolarHBondContact O-N 3.36Å; D458-K461 WeakPolarHBondContact OD2-CE 3.13Å
459	P	58.4	Low	67.4	Low	31 Å²	31	55.4 Å²	55.4	20%	0.201	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.2	-176.9	28	-36.5	0	0	0	111.5	M211 V457 K461 L462 F533	M211-P459 HydrophobicContact CE-CB 4.2Å; M211-P459 HydrophobicContact CE-CG 3.76Å; M211-P459 HydrophobicContact SD-CB 3.5Å; M211-P459 WeakPolarHBondContact SD-CB 3.46Å; M211-P459 HydrophobicContact SD-CG 3.68Å; V457-P459 WeakPolarHBondContact O-CD 3.38Å; V457-P459 VanDerWaalsContact O-N 3.11Å; P459-K461 PolarHBondContact O-N 3.19Å; P459-L462 PolarHBondContact O-N 2.98Å; P459-F533 CarbonylContact C-O 3.51Å; P459-F533 WeakPolarHBondContact CB-O 3.44Å
460	R	63.7	Low	68.7	Low	112 Å²	112	55.8 Å²	55.8	42%	0.423	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-72.8	-9.5	177.8	-52.4	171	-175	-156.4	-12.3	113.1	D458 F533 E540 A543	D458-R460 PolarHBondContact O-N 2.85Å; D458-R460 WeakPolarHBondContact OD1-CB 3.48Å; D458-R460 WeakPolarHBondContact OD1-CG 3.31Å; D458-R460 PolarHBondContact OD1-N 3.48Å; R460-F533 PolarHBondContact N-O 2.75Å; R460-E540 IonicContact CZ-OE1 2.75Å; R460-E540 IonicContact CZ-OE2 3.11Å; R460-E540 IonicContact NH1-OE1 2.77Å; R460-E540 PolarHBondContact NH1-OE1 3.08Å; R460-E540 IonicContact NH1-OE2 3.28Å; R460-E540 PolarHBondContact NH1-OE2 3.27Å; R460-E540 IonicContact NH2-OE1 3.62Å; R460-E540 PolarHBondContact NH2-OE1 2.99Å; R460-A543 HydrophobicContact CB-CB 4.32Å
461	K	69.5	Low	69.7	Low	108 Å²	108	55.9 Å²	55.9	47%	0.47	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-108.3	34.3	176.5	-60.4	-176	-175.3	178.5	0	112.4	D458 P459 G463 T464 L465	D458-K461 HydrophobicContact CB-CB 4.5Å; D458-K461 HydrophobicContact CB-CD 4.25Å; D458-K461 HydrophobicContact CB-CG 4.19Å; D458-K461 PolarHBondContact O-N 3.36Å; D458-K461 WeakPolarHBondContact OD2-CE 3.13Å; P459-K461 PolarHBondContact O-N 3.19Å; K461-G463 VanDerWaalsContact C-N 3.32Å; K461-G463 PolarHBondContact O-N 3.18Å; K461-T464 PolarHBondContact O-N 3.3Å; K461-L465 HydrophobicContact CB-CD1 4.03Å; K461-L465 HydrophobicContact CB-CG 3.92Å; K461-L465 PolarHBondContact O-N 3.21Å
462	L	68.7	Low	70.8	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-48.6	-48.3	-174.9	-173.5	66.5	0	0	0	113.4	P414 P459 R466 L494 F522 F529 F533	P414-L462 HydrophobicContact CG-CD1 3.47Å; P414-L462 VanDerWaalsContact CG-CD1 3.47Å; P459-L462 PolarHBondContact O-N 2.98Å; L462-R466 WeakPolarHBondContact O-CD 3.41Å; L462-R466 WeakPolarHBondContact O-CG 3.27Å; L462-L494 HydrophobicContact CD2-CD1 4.23Å; L462-F522 HydrophobicContact CD2-CE1 4.27Å; L462-F522 HydrophobicContact CD2-CZ 4.11Å; L462-F529 HydrophobicContact CD2-CE1 4.48Å; L462-F533 HydrophobicContact CD1-CD1 4.46Å; L462-F533 HydrophobicContact CD1-CG 4.44Å; L462-F533 HydrophobicContact CD2-CB 4.18Å; L462-F533 HydrophobicContact CD2-CD2 4.32Å; L462-F533 HydrophobicContact CD2-CG 4.28Å
463	G	74.8	Confident	71.9	Confident	2 Å²	2	57.8 Å²	57.8	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-75.7	-54.1	179.6	0	0	0	0	0	113.2	K461 L465 R466 V467	K461-G463 VanDerWaalsContact C-N 3.32Å; K461-G463 PolarHBondContact O-N 3.18Å; G463-L465 PolarHBondContact O-N 2.55Å; G463-R466 PolarHBondContact O-N 2.97Å; G463-V467 WeakPolarHBondContact O-CG2 3.38Å; G463-V467 PolarHBondContact O-N 3.15Å
464	T	80.5	Confident	73.3	Confident	64 Å²	64	53.2 Å²	53.2	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-43	-169.4	-46.8	0	0	0	0	113.6	K461 K468	K461-T464 PolarHBondContact O-N 3.3Å; T464-K468 WeakPolarHBondContact O-CG 3.28Å; T464-K468 PolarHBondContact O-N 3.09Å
465	L	81.2	Confident	75.3	Confident	28 Å²	28	53.6 Å²	53.6	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-36.1	-178.8	-65.2	-179.5	0	0	0	111.8	V457 K461 G463 K468 D469	V457-L465 HydrophobicContact CG1-CD1 4.21Å; K461-L465 HydrophobicContact CB-CD1 4.03Å; K461-L465 HydrophobicContact CB-CG 3.92Å; K461-L465 PolarHBondContact O-N 3.21Å; G463-L465 PolarHBondContact O-N 2.55Å; L465-K468 PolarHBondContact O-N 2.82Å; L465-D469 PolarHBondContact O-N 3.01Å
466	R	84.4	Confident	77.6	Confident	19 Å²	19	50.3 Å²	50.3	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	-42.4	178.7	-71.1	-175	176.9	-92.9	11	111.9	G412 T413 P414 S446 L462 G463 K468 D469 Y470 L498	G412-R466 WeakPolarHBondContact O-CD 3.33Å; G412-R466 PolarHBondContact O-NE 2.99Å; G412-R466 PolarHBondContact O-NH1 2.85Å; G412-R466 PolarHBondContact O-NH2 3.32Å; G412-R466 VanDerWaalsContact O-NH2 3.15Å; T413-R466 PolarHBondContact O-NH2 3.2Å; P414-R466 VanDerWaalsContact N-NH2 3.16Å; S446-R466 PolarHBondContact OG-NH2 3.28Å; L462-R466 WeakPolarHBondContact O-CD 3.41Å; L462-R466 WeakPolarHBondContact O-CG 3.27Å; G463-R466 PolarHBondContact O-N 2.97Å; R466-K468 VanDerWaalsContact C-N 3.25Å; R466-K468 PolarHBondContact O-N 2.93Å; R466-D469 WeakPolarHBondContact O-CB 3.38Å; R466-D469 PolarHBondContact O-N 3.41Å; R466-Y470 VanDerWaalsContact O-CD2 3.28Å; R466-Y470 WeakPolarHBondContact O-CD2 3.02Å; R466-Y470 PolarHBondContact O-N 3.26Å; R466-L498 HydrophobicContact CB-CD1 4.35Å; R466-L498 HydrophobicContact CB-CD2 3.97Å
467	V	88.4	Confident	79.6	Confident	12 Å²	12	47.6 Å²	47.6	7%	0.073	23%	0.226	C	C	.	.	H	α-helix	trans	-54.1	-46.2	174	170.2	0	0	0	0	110.1	G463 D469 Y470 L471 L498 K501 M502 A505	G463-V467 WeakPolarHBondContact O-CG2 3.38Å; G463-V467 PolarHBondContact O-N 3.15Å; V467-D469 VanDerWaalsContact C-N 3.35Å; V467-D469 PolarHBondContact O-N 2.9Å; V467-Y470 PolarHBondContact O-N 2.65Å; V467-L471 HydrophobicContact CG1-CD1 3.99Å; V467-L471 HydrophobicContact CG1-CG 4.34Å; V467-L471 WeakPolarHBondContact O-CG 3.4Å; V467-L471 PolarHBondContact O-N 3.42Å; V467-L498 HydrophobicContact CG2-CD2 4.33Å; V467-K501 HydrophobicContact CG2-CB 3.97Å; V467-M502 HydrophobicContact CB-CG 4.35Å; V467-M502 HydrophobicContact CG1-CG 4.03Å; V467-M502 HydrophobicContact CG2-CG 4.01Å; V467-A505 HydrophobicContact CG1-CB 4.12Å
468	K	88.3	Confident	81	Confident	125 Å²	125	52 Å²	52	54%	0.543	24%	0.242	S	C	.	.	H	α-helix	trans	-58.8	-42.7	175.6	-71.6	-177.3	176.7	-166.3	0	113.4	T464 L465 R466 L471 R472	T464-K468 WeakPolarHBondContact O-CG 3.28Å; T464-K468 PolarHBondContact O-N 3.09Å; L465-K468 PolarHBondContact O-N 2.82Å; R466-K468 VanDerWaalsContact C-N 3.25Å; R466-K468 PolarHBondContact O-N 2.93Å; K468-L471 PolarHBondContact O-N 3.4Å; K468-R472 WeakPolarHBondContact O-CB 3.4Å; K468-R472 PolarHBondContact O-N 3.19Å
469	D	87.8	Confident	82.5	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-44.6	178.2	-67.4	-13.1	0	0	0	111.4	H387 L389 R445 L465 R466 V467 R472 V473	H387-D469 IonicContact CE1-OD1 3.47Å; H387-D469 PolarHBondContact CE1-OD1 3.45Å; H387-D469 IonicContact NE2-OD1 3Å; H387-D469 PolarHBondContact NE2-OD1 3.07Å; H387-D469 VanDerWaalsContact NE2-OD1 3.11Å; H387-D469 IonicContact NE2-OD2 3.35Å; L389-D469 HydrophobicContact CD1-CB 4.21Å; L389-D469 WeakPolarHBondContact CD1-O 3.39Å; L389-D469 HydrophobicContact CD2-CB 3.79Å; R445-D469 WeakPolarHBondContact CD-OD2 3.36Å; R445-D469 VanDerWaalsContact CG-OD2 3.27Å; R445-D469 WeakPolarHBondContact CG-OD2 3.45Å; R445-D469 IonicContact CZ-OD1 2.8Å; R445-D469 VanDerWaalsContact CZ-OD1 3.28Å; R445-D469 PolarHBondContact N-OD2 3.27Å; R445-D469 VanDerWaalsContact NE-CG 3.3Å; R445-D469 IonicContact NE-OD1 2.69Å; R445-D469 PolarHBondContact NE-OD1 2.71Å; R445-D469 IonicContact NE-OD2 3.95Å; R445-D469 PolarHBondContact NE-OD2 2.92Å; R445-D469 IonicContact NH2-OD1 2.73Å; R445-D469 PolarHBondContact NH2-OD1 3.31Å; L465-D469 PolarHBondContact O-N 3.01Å; R466-D469 WeakPolarHBondContact O-CB 3.38Å; R466-D469 PolarHBondContact O-N 3.41Å; V467-D469 VanDerWaalsContact C-N 3.35Å; V467-D469 PolarHBondContact O-N 2.9Å; D469-R472 PolarHBondContact O-N 3.47Å; D469-V473 PolarHBondContact O-N 3.41Å; D469-V473 VanDerWaalsContact O-N 3.14Å
470	Y	89.5	Confident	84	Confident	9 Å²	9	54.4 Å²	54.4	4%	0.035	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-42.4	177.4	-81.9	-82	0	0	0	112.3	I408 V410 D411 V442 R466 V467 R472 V473 V474 L498 M502	I408-Y470 HydrophobicContact CG2-CD1 4.01Å; I408-Y470 HydrophobicContact CG2-CE1 4.16Å; V410-Y470 HydrophobicContact CB-CE1 4.4Å; V410-Y470 HydrophobicContact CG1-CE1 4.19Å; V410-Y470 HydrophobicContact CG1-CE2 3.91Å; V410-Y470 HydrophobicContact CG2-CD1 4.41Å; V410-Y470 HydrophobicContact CG2-CE1 4.05Å; D411-Y470 PolarHBondContact N-OH 2.89Å; V442-Y470 HydrophobicContact CB-CD1 4.05Å; V442-Y470 HydrophobicContact CB-CE1 3.64Å; V442-Y470 HydrophobicContact CG1-CE1 4.39Å; V442-Y470 HydrophobicContact CG2-CD1 4.12Å; V442-Y470 HydrophobicContact CG2-CE1 4.04Å; V442-Y470 PolarHBondContact O-OH 3.33Å; R466-Y470 VanDerWaalsContact O-CD2 3.28Å; R466-Y470 WeakPolarHBondContact O-CD2 3.02Å; R466-Y470 PolarHBondContact O-N 3.26Å; V467-Y470 PolarHBondContact O-N 2.65Å; Y470-R472 VanDerWaalsContact C-N 3.29Å; Y470-R472 PolarHBondContact O-N 2.82Å; Y470-V473 WeakPolarHBondContact O-CB 3.34Å; Y470-V473 PolarHBondContact O-N 3.22Å; Y470-V473 VanDerWaalsContact O-N 3.09Å; Y470-V474 WeakPolarHBondContact O-CG2 3.45Å; Y470-V474 PolarHBondContact O-N 3.03Å; Y470-L498 HydrophobicContact CE2-CD1 4.43Å; Y470-M502 HydrophobicContact CD1-SD 4.43Å; Y470-M502 HydrophobicContact CD2-SD 4.21Å; Y470-M502 HydrophobicContact CG-CE 4.23Å; Y470-M502 HydrophobicContact CG-SD 3.86Å
471	L	89.8	Confident	85.4	Confident	36 Å²	36	50 Å²	50	19%	0.188	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-39.1	176.3	-67.4	178.7	0	0	0	111.8	V467 K468 V473 V474 E475 T506 L509 F510	V467-L471 HydrophobicContact CG1-CD1 3.99Å; V467-L471 HydrophobicContact CG1-CG 4.34Å; V467-L471 WeakPolarHBondContact O-CG 3.4Å; V467-L471 PolarHBondContact O-N 3.42Å; K468-L471 PolarHBondContact O-N 3.4Å; L471-V473 VanDerWaalsContact C-N 3.26Å; L471-V473 PolarHBondContact O-N 2.93Å; L471-V474 WeakPolarHBondContact O-CB 3.29Å; L471-V474 PolarHBondContact O-N 3.23Å; L471-V474 VanDerWaalsContact O-N 3.09Å; L471-E475 PolarHBondContact O-N 3Å; L471-T506 HydrophobicContact CD1-CG2 3.92Å; L471-T506 HydrophobicContact CD2-CG2 3.48Å; L471-T506 VanDerWaalsContact CD2-CG2 3.48Å; L471-T506 HydrophobicContact CG-CG2 4.36Å; L471-L509 HydrophobicContact CD2-CD2 3.72Å; L471-F510 HydrophobicContact CD2-CE2 4.15Å; L471-F510 HydrophobicContact CD2-CZ 4.03Å
472	R	89.6	Confident	86.6	Confident	103 Å²	103	45.3 Å²	45.3	39%	0.389	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-34.7	174.6	-174.4	60.7	-172.3	133.6	4.3	112.5	A384 L389 K468 D469 Y470 E475 F476	A384-R472 HydrophobicContact CB-CG 4.09Å; L389-R472 HydrophobicContact CD1-CB 4.31Å; L389-R472 HydrophobicContact CD1-CG 4.42Å; K468-R472 WeakPolarHBondContact O-CB 3.4Å; K468-R472 PolarHBondContact O-N 3.19Å; D469-R472 PolarHBondContact O-N 3.47Å; Y470-R472 VanDerWaalsContact C-N 3.29Å; Y470-R472 PolarHBondContact O-N 2.82Å; R472-E475 WeakPolarHBondContact CD-OE2 3.49Å; R472-E475 IonicContact CZ-OE2 3.42Å; R472-E475 IonicContact NE-OE2 3.67Å; R472-E475 IonicContact NH1-OE2 3.97Å; R472-E475 PolarHBondContact NH1-OE2 3.11Å; R472-F476 PolarHBondContact O-N 3.33Å
473	V	89.2	Confident	87.8	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-44.7	171.9	174.4	0	0	0	0	110.7	L389 L391 V442 D469 Y470 L471 E475 F476 M477	L389-V473 HydrophobicContact CB-CG2 4.32Å; L389-V473 HydrophobicContact CD1-CG2 3.8Å; L391-V473 HydrophobicContact CD1-CG1 4.09Å; V442-V473 HydrophobicContact CG1-CG2 3.7Å; V442-V473 HydrophobicContact CG2-CB 4.17Å; V442-V473 HydrophobicContact CG2-CG1 3.78Å; V442-V473 HydrophobicContact CG2-CG2 4Å; D469-V473 PolarHBondContact O-N 3.41Å; D469-V473 VanDerWaalsContact O-N 3.14Å; Y470-V473 WeakPolarHBondContact O-CB 3.34Å; Y470-V473 PolarHBondContact O-N 3.22Å; Y470-V473 VanDerWaalsContact O-N 3.09Å; L471-V473 VanDerWaalsContact C-N 3.26Å; L471-V473 PolarHBondContact O-N 2.93Å; V473-E475 VanDerWaalsContact C-N 3.27Å; V473-E475 PolarHBondContact O-N 3.36Å; V473-F476 CarbonylContact O-C 3.54Å; V473-F476 WeakPolarHBondContact O-CA 3.49Å; V473-F476 WeakPolarHBondContact O-CB 3.42Å; V473-F476 PolarHBondContact O-N 3.38Å; V473-M477 HydrophobicContact CG1-CE 3.46Å; V473-M477 VanDerWaalsContact CG1-CE 3.46Å; V473-M477 HydrophobicContact CG1-CG 4.15Å; V473-M477 VanDerWaalsContact O-CG 3.23Å; V473-M477 WeakPolarHBondContact O-CG 3.44Å; V473-M477 PolarHBondContact O-N 3.49Å
474	V	90.5	Very high	88.4	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-43.3	177.4	178.3	0	0	0	0	111.3	I408 Y470 L471 F476 M477 I487 L509 F510	I408-V474 HydrophobicContact CD1-CG2 3.48Å; I408-V474 VanDerWaalsContact CD1-CG2 3.48Å; Y470-V474 WeakPolarHBondContact O-CG2 3.45Å; Y470-V474 PolarHBondContact O-N 3.03Å; L471-V474 WeakPolarHBondContact O-CB 3.29Å; L471-V474 PolarHBondContact O-N 3.23Å; L471-V474 VanDerWaalsContact O-N 3.09Å; V474-F476 VanDerWaalsContact C-N 3.31Å; V474-F476 PolarHBondContact O-N 3.04Å; V474-M477 WeakPolarHBondContact O-CB 3.42Å; V474-M477 PolarHBondContact O-N 2.97Å; V474-I487 HydrophobicContact CG1-CD1 3.81Å; V474-L509 HydrophobicContact CG1-CD1 4Å; V474-L509 HydrophobicContact CG1-CD2 4.01Å; V474-L509 HydrophobicContact CG1-CG 4.23Å; V474-F510 HydrophobicContact CG2-CE1 4.05Å; V474-F510 HydrophobicContact CG2-CZ 4.14Å
475	E	88.8	Confident	88.8	Confident	109 Å²	109	56 Å²	56	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-38.5	174.9	-68.1	170.9	-175.1	0	0	112.8	L471 R472 V473 M477 Q478	L471-E475 PolarHBondContact O-N 3Å; R472-E475 WeakPolarHBondContact CD-OE2 3.49Å; R472-E475 IonicContact CZ-OE2 3.42Å; R472-E475 IonicContact NE-OE2 3.67Å; R472-E475 IonicContact NH1-OE2 3.97Å; R472-E475 PolarHBondContact NH1-OE2 3.11Å; V473-E475 VanDerWaalsContact C-N 3.27Å; V473-E475 PolarHBondContact O-N 3.36Å; E475-M477 VanDerWaalsContact C-N 3.26Å; E475-M477 PolarHBondContact O-N 3.27Å; E475-Q478 WeakPolarHBondContact O-CG 3.39Å
476	F	87.8	Confident	89.4	Confident	73 Å²	73	56.6 Å²	56.6	32%	0.32	26%	0.257	S	S	.	.	H	α-helix	trans	-70.8	-21.6	175.9	178.8	-93.3	0	0	0	113.1	K380 V382 R472 V473 V474 Q478	K380-F476 HydrophobicContact CD-CE1 3.98Å; K380-F476 HydrophobicContact CD-CZ 4.34Å; V382-F476 HydrophobicContact CB-CD2 4.47Å; V382-F476 HydrophobicContact CB-CG 4.29Å; V382-F476 HydrophobicContact CG1-CB 3.84Å; V382-F476 HydrophobicContact CG1-CD1 4.47Å; V382-F476 HydrophobicContact CG1-CD2 3.84Å; V382-F476 HydrophobicContact CG1-CG 3.79Å; V382-F476 HydrophobicContact CG2-CB 4.11Å; V382-F476 HydrophobicContact CG2-CD1 3.3Å; V382-F476 HydrophobicContact CG2-CD2 3.96Å; V382-F476 HydrophobicContact CG2-CE1 3.58Å; V382-F476 HydrophobicContact CG2-CE2 4.19Å; V382-F476 HydrophobicContact CG2-CG 3.5Å; V382-F476 HydrophobicContact CG2-CZ 4.01Å; R472-F476 PolarHBondContact O-N 3.33Å; V473-F476 CarbonylContact O-C 3.54Å; V473-F476 WeakPolarHBondContact O-CA 3.49Å; V473-F476 WeakPolarHBondContact O-CB 3.42Å; V473-F476 PolarHBondContact O-N 3.38Å; V474-F476 VanDerWaalsContact C-N 3.31Å; V474-F476 PolarHBondContact O-N 3.04Å; F476-Q478 PolarHBondContact O-N 2.99Å; F476-Q478 VanDerWaalsContact O-N 3.12Å
477	M	86.1	Confident	89.9	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.02	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	11.7	-178.5	-68.1	-67.5	-169.7	0	0	114.5	L391 L393 L406 A440 V473 V474 E475 L479	L391-M477 HydrophobicContact CD1-CE 3.16Å; L391-M477 HydrophobicContact CD2-CE 3.25Å; L391-M477 HydrophobicContact CD2-SD 3.97Å; L391-M477 HydrophobicContact CG-CE 3.79Å; L393-M477 HydrophobicContact CD1-SD 4.44Å; L393-M477 HydrophobicContact CD2-CE 3.61Å; L393-M477 HydrophobicContact CD2-SD 3.8Å; L393-M477 HydrophobicContact CG-CE 4.47Å; L406-M477 HydrophobicContact CD2-CB 4.1Å; L406-M477 HydrophobicContact CD2-CG 4.02Å; A440-M477 HydrophobicContact CB-CE 3.72Å; V473-M477 HydrophobicContact CG1-CE 3.46Å; V473-M477 VanDerWaalsContact CG1-CE 3.46Å; V473-M477 HydrophobicContact CG1-CG 4.15Å; V473-M477 VanDerWaalsContact O-CG 3.23Å; V473-M477 WeakPolarHBondContact O-CG 3.44Å; V473-M477 PolarHBondContact O-N 3.49Å; V474-M477 WeakPolarHBondContact O-CB 3.42Å; V474-M477 PolarHBondContact O-N 2.97Å; E475-M477 VanDerWaalsContact C-N 3.26Å; E475-M477 PolarHBondContact O-N 3.27Å; M477-L479 PolarHBondContact O-N 2.96Å; M477-L479 HydrophobicContact SD-CD1 4.24Å
478	Q	84.8	Confident	90.3	Very high	163 Å²	163	55.3 Å²	55.3	76%	0.762	25%	0.251	S	S	*	.			trans	-69.7	55.3	168.4	-65	-178.4	-0.2	0	0	111.5	E475 F476	E475-Q478 WeakPolarHBondContact O-CG 3.39Å; F476-Q478 PolarHBondContact O-N 2.99Å; F476-Q478 VanDerWaalsContact O-N 3.12Å
479	L	89.8	Confident	90.8	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	23%	0.225	C	C	.	.			trans	-89.8	148	177.7	-62.1	170.7	0	0	0	108.6	L393 M477 Y481 I482	L393-L479 HydrophobicContact CD1-CD1 3.86Å; M477-L479 PolarHBondContact O-N 2.96Å; M477-L479 HydrophobicContact SD-CD1 4.24Å; L479-Y481 HydrophobicContact CB-CD2 4.33Å; L479-Y481 HydrophobicContact CB-CE1 4.18Å; L479-Y481 HydrophobicContact CB-CE2 3.94Å; L479-Y481 HydrophobicContact CD1-CE2 3.89Å; L479-Y481 PolarHBondContact O-N 2.84Å; L479-I482 HydrophobicContact CB-CB 4.5Å; L479-I482 HydrophobicContact CB-CG1 4.05Å; L479-I482 HydrophobicContact CD1-CG1 4.49Å; L479-I482 PolarHBondContact O-N 2.93Å
480	P	91.7	Very high	91.2	Very high	115 Å²	115	50 Å²	50	75%	0.747	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.6	-171.1	25.7	-35.1	0	0	0	114.8	L403	L403-P480 WeakPolarHBondContact CD2-O 3.32Å
481	Y	92.6	Very high	91.6	Very high	21 Å²	21	49.6 Å²	49.6	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	5.9	-179.6	47.9	-100.8	0	0	0	112.9	K380 L395 Y399 H404 L479	K380-Y481 PolarHBondContact NZ-OH 2.73Å; L395-Y481 HydrophobicContact CD1-CD2 4.45Å; L395-Y481 HydrophobicContact CD1-CE2 3.81Å; L395-Y481 HydrophobicContact CD2-CD2 4.33Å; L395-Y481 HydrophobicContact CD2-CE2 4.17Å; Y399-Y481 AromaticContact CD2-CD1 3.73Å; Y399-Y481 HydrophobicContact CD2-CD1 3.73Å; Y399-Y481 AromaticContact CD2-CD2 3.68Å; Y399-Y481 HydrophobicContact CD2-CD2 3.68Å; Y399-Y481 HydrophobicContact CD2-CE1 4.07Å; Y399-Y481 HydrophobicContact CD2-CE2 4.04Å; Y399-Y481 AromaticContact CD2-CG 3.5Å; Y399-Y481 HydrophobicContact CD2-CG 3.5Å; Y399-Y481 AromaticContact CE2-CD1 3.49Å; Y399-Y481 HydrophobicContact CE2-CD1 3.49Å; Y399-Y481 VanDerWaalsContact CE2-CD1 3.49Å; Y399-Y481 HydrophobicContact CE2-CD2 4.02Å; Y399-Y481 AromaticContact CE2-CE1 3.43Å; Y399-Y481 HydrophobicContact CE2-CE1 3.43Å; Y399-Y481 VanDerWaalsContact CE2-CE1 3.43Å; Y399-Y481 AromaticContact CE2-CE2 3.99Å; Y399-Y481 HydrophobicContact CE2-CE2 3.99Å; Y399-Y481 AromaticContact CE2-CG 3.77Å; Y399-Y481 HydrophobicContact CE2-CG 3.77Å; Y399-Y481 AromaticContact CE2-CZ 3.66Å; H404-Y481 WeakPolarHBondContact CB-O 3.41Å; H404-Y481 PolarHBondContact CD2-O 3.26Å; H404-Y481 PolarHBondContact N-O 3.13Å; L479-Y481 HydrophobicContact CB-CD2 4.33Å; L479-Y481 HydrophobicContact CB-CE1 4.18Å; L479-Y481 HydrophobicContact CB-CE2 3.94Å; L479-Y481 HydrophobicContact CD1-CE2 3.89Å; L479-Y481 PolarHBondContact O-N 2.84Å
482	I	94.3	Very high	91.9	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.1	177.2	-61.5	-61.3	0	0	0	109.5	L395 L406 A438 L479 Y484	L395-I482 HydrophobicContact CD2-CD1 4.32Å; L406-I482 HydrophobicContact CB-CG2 4.03Å; L406-I482 HydrophobicContact CD1-CD1 4.47Å; L406-I482 HydrophobicContact CD2-CG2 4.26Å; A438-I482 HydrophobicContact CB-CD1 3.37Å; L479-I482 HydrophobicContact CB-CB 4.5Å; L479-I482 HydrophobicContact CB-CG1 4.05Å; L479-I482 HydrophobicContact CD1-CG1 4.49Å; L479-I482 PolarHBondContact O-N 2.93Å; I482-Y484 PolarHBondContact O-N 3.47Å
483	D	93.2	Very high	92.1	Very high	18 Å²	18	47 Å²	47	10%	0.096	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	103.9	174	-169.4	-19.5	0	0	0	110.6	L403 H404 R485 R486	L403-D483 HydrophobicContact CB-CB 4.24Å; H404-D483 PolarHBondContact O-N 3.41Å; D483-R485 PolarHBondContact O-N 3.31Å; D483-R485 WeakPolarHBondContact OD1-CB 3.39Å; D483-R485 PolarHBondContact OD1-N 3.36Å; D483-R486 PolarHBondContact O-N 2.89Å; D483-R486 IonicContact OD2-CZ 3.23Å; D483-R486 VanDerWaalsContact OD2-CZ 3.23Å; D483-R486 IonicContact OD2-NE 2.69Å; D483-R486 PolarHBondContact OD2-NE 2.82Å; D483-R486 IonicContact OD2-NH2 2.89Å; D483-R486 PolarHBondContact OD2-NH2 3.13Å
484	Y	87.8	Confident	92.3	Very high	145 Å²	145	47.1 Å²	47.1	57%	0.569	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	-14.8	-178.3	71.3	-86.7	0	0	0	113.7	I482 R486	I482-Y484 PolarHBondContact O-N 3.47Å; Y484-R486 VanDerWaalsContact C-N 3.28Å
485	R	89.5	Confident	92.4	Very high	143 Å²	143	46.6 Å²	46.6	54%	0.54	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-12.8	176.5	-57.3	-179.2	-179	-169	-1.6	111.9	D483 D631	D483-R485 PolarHBondContact O-N 3.31Å; D483-R485 WeakPolarHBondContact OD1-CB 3.39Å; D483-R485 PolarHBondContact OD1-N 3.36Å; R485-D631 IonicContact NH1-OD1 3.73Å
486	R	93.4	Very high	92.8	Very high	40 Å²	40	41.4 Å²	41.4	15%	0.151	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	72.8	-174.1	-63.1	-171.2	-68.2	147	0.7	110.9	L403 P405 L406 D483 Y484 L624	L403-R486 PolarHBondContact O-NH2 3Å; P405-R486 CarbonylContact C-O 3.48Å; P405-R486 WeakPolarHBondContact CA-O 3.12Å; P405-R486 HydrophobicContact CB-CB 3.72Å; L406-R486 PolarHBondContact N-O 2.81Å; D483-R486 PolarHBondContact O-N 2.89Å; D483-R486 IonicContact OD2-CZ 3.23Å; D483-R486 VanDerWaalsContact OD2-CZ 3.23Å; D483-R486 IonicContact OD2-NE 2.69Å; D483-R486 PolarHBondContact OD2-NE 2.82Å; D483-R486 IonicContact OD2-NH2 2.89Å; D483-R486 PolarHBondContact OD2-NH2 3.13Å; Y484-R486 VanDerWaalsContact C-N 3.28Å; R486-L624 HydrophobicContact CB-CD2 4.14Å; R486-L624 WeakPolarHBondContact CD-O 3.47Å; R486-L624 PolarHBondContact NH1-O 2.75Å; R486-L624 WeakPolarHBondContact O-CD2 3.37Å
487	I	95.7	Very high	93.2	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.6	177.5	-49.6	-179.9	0	0	0	109.3	L406 I408 V474 F510 Q511	L406-I487 HydrophobicContact CB-CG1 4.37Å; L406-I487 HydrophobicContact CB-CG2 4.37Å; L406-I487 HydrophobicContact CD2-CG2 4.26Å; L406-I487 HydrophobicContact CG-CG2 4.42Å; L406-I487 CarbonylContact O-C 3.49Å; L406-I487 WeakPolarHBondContact O-CA 3.37Å; I408-I487 HydrophobicContact CD1-CG2 3.86Å; I408-I487 HydrophobicContact CG1-CG2 4.37Å; V474-I487 HydrophobicContact CG1-CD1 3.81Å; I487-F510 HydrophobicContact CB-CD1 4.17Å; I487-F510 HydrophobicContact CG2-CD1 3.69Å; I487-F510 HydrophobicContact CG2-CE1 3.87Å; I487-F510 CarbonylContact O-C 3.26Å; I487-F510 WeakPolarHBondContact O-CA 3.44Å; I487-Q511 PolarHBondContact O-N 2.9Å
488	A	96.9	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154	173.6	0	0	0	0	0	111.6	L406 L407 I408 C512 L620 L624	L406-A488 PolarHBondContact O-N 2.86Å; L407-A488 WeakPolarHBondContact CA-O 3.45Å; L407-A488 HydrophobicContact CD1-CB 3.95Å; I408-A488 PolarHBondContact N-O 3.34Å; A488-C512 VanDerWaalsContact CA-O 3.26Å; A488-C512 WeakPolarHBondContact CA-O 3.2Å; A488-L620 HydrophobicContact CB-CD2 3.98Å; A488-L624 HydrophobicContact CB-CD1 4.13Å; A488-L624 HydrophobicContact CB-CD2 3.76Å; A488-L624 HydrophobicContact CB-CG 4.09Å
489	L	97.4	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.9	174.8	-59.8	178.1	0	0	0	110.6	I408 V410 A499 M502 F510 C512 A513 A514	I408-L489 HydrophobicContact CB-CD2 3.91Å; I408-L489 HydrophobicContact CD1-CD2 4.24Å; I408-L489 HydrophobicContact CG2-CD2 4.42Å; V410-L489 HydrophobicContact CG2-CD2 4.49Å; L489-A499 HydrophobicContact CB-CB 4.14Å; L489-A499 WeakPolarHBondContact CD1-O 3.45Å; L489-M502 HydrophobicContact CD1-CB 3.76Å; L489-M502 HydrophobicContact CD1-CE 4.15Å; L489-M502 HydrophobicContact CD1-SD 4.49Å; L489-M502 HydrophobicContact CD2-CE 3.74Å; L489-F510 HydrophobicContact CD1-CD1 4.01Å; L489-F510 HydrophobicContact CD1-CD2 3.8Å; L489-F510 HydrophobicContact CD1-CE1 4.17Å; L489-F510 HydrophobicContact CD1-CE2 3.96Å; L489-F510 HydrophobicContact CD1-CG 3.82Å; L489-F510 HydrophobicContact CD1-CZ 4.14Å; L489-F510 HydrophobicContact CD2-CD1 3.74Å; L489-F510 HydrophobicContact CD2-CE1 3.53Å; L489-F510 HydrophobicContact CD2-CG 4.41Å; L489-F510 HydrophobicContact CD2-CZ 4.04Å; L489-F510 HydrophobicContact CG-CB 4.48Å; L489-F510 HydrophobicContact CG-CD1 3.67Å; L489-F510 HydrophobicContact CG-CD2 4.37Å; L489-F510 HydrophobicContact CG-CE1 3.96Å; L489-F510 HydrophobicContact CG-CG 3.91Å; L489-F510 HydrophobicContact CG-CZ 4.41Å; L489-C512 PolarHBondContact N-O 3.19Å; L489-A513 HydrophobicContact CB-CB 3.93Å; L489-A513 CarbonylContact O-C 3.58Å; L489-A513 VanDerWaalsContact O-CA 3.29Å; L489-A513 WeakPolarHBondContact O-CA 3.47Å; L489-A514 PolarHBondContact O-N 3.44Å
490	F	97.9	Very high	94.3	Very high	20 Å²	20	28.8 Å²	28.8	9%	0.088	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.3	165.5	172.6	-86.2	0	0	0	109.5	L407 I408 I409 V410 W427 A514 V516 V616	L407-F490 HydrophobicContact CD1-CB 3.93Å; I408-F490 PolarHBondContact O-N 3.02Å; I409-F490 WeakPolarHBondContact CA-O 3.17Å; I409-F490 HydrophobicContact CG1-CD1 4.45Å; I409-F490 HydrophobicContact CG2-CD1 4.23Å; V410-F490 PolarHBondContact N-O 2.93Å; W427-F490 HydrophobicContact CH2-CB 4.29Å; W427-F490 HydrophobicContact CH2-CD1 4.16Å; W427-F490 AromaticContact CH2-CD2 3.74Å; W427-F490 HydrophobicContact CH2-CD2 3.74Å; W427-F490 HydrophobicContact CH2-CE1 4.49Å; W427-F490 HydrophobicContact CH2-CE2 4.09Å; W427-F490 AromaticContact CH2-CG 3.78Å; W427-F490 HydrophobicContact CH2-CG 3.78Å; W427-F490 HydrophobicContact CH2-CZ 4.47Å; W427-F490 AromaticContact CZ2-CD1 3.8Å; W427-F490 HydrophobicContact CZ2-CD1 3.8Å; W427-F490 AromaticContact CZ2-CD2 3.67Å; W427-F490 HydrophobicContact CZ2-CD2 3.67Å; W427-F490 AromaticContact CZ2-CE1 3.7Å; W427-F490 HydrophobicContact CZ2-CE1 3.7Å; W427-F490 AromaticContact CZ2-CE2 3.56Å; W427-F490 HydrophobicContact CZ2-CE2 3.56Å; W427-F490 AromaticContact CZ2-CG 3.8Å; W427-F490 HydrophobicContact CZ2-CG 3.8Å; W427-F490 AromaticContact CZ2-CZ 3.59Å; W427-F490 HydrophobicContact CZ2-CZ 3.59Å; F490-A514 WeakPolarHBondContact CA-O 3.33Å; F490-A514 HydrophobicContact CD2-CB 3.89Å; F490-V516 HydrophobicContact CE2-CG2 3.58Å; F490-V516 HydrophobicContact CZ-CG2 3.87Å; F490-V616 HydrophobicContact CD2-CG1 3.97Å; F490-V616 HydrophobicContact CE2-CG1 3.93Å; F490-V616 HydrophobicContact CE2-CG2 4.43Å
491	G	96.8	Very high	94.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	148.6	175.8	0	0	0	0	0	112.8	V410 G495 G496 A514 V516	V410-G491 WeakPolarHBondContact O-CA 3.42Å; G491-G495 VanDerWaalsContact CA-C 3.47Å; G491-G496 VanDerWaalsContact C-N 3.27Å; G491-G496 WeakPolarHBondContact O-CA 3.4Å; G491-A514 PolarHBondContact N-O 3.26Å; G491-V516 PolarHBondContact O-N 3.42Å
492	K	95.8	Very high	94.5	Very high	70 Å²	70	22.9 Å²	22.9	30%	0.304	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.5	176.2	-175.7	180	179.9	-172	0	111	L494 G495 G496 V516 H601	K492-L494 PolarHBondContact O-N 2.87Å; K492-G495 WeakPolarHBondContact O-CA 3.43Å; K492-G495 PolarHBondContact O-N 2.82Å; K492-G496 PolarHBondContact O-N 3.12Å; K492-V516 CarbonylContact C-O 3.55Å; K492-V516 WeakPolarHBondContact CA-O 3.47Å; K492-V516 HydrophobicContact CB-CB 4.17Å; K492-V516 HydrophobicContact CD-CG1 4.44Å; K492-V516 HydrophobicContact CG-CB 4.08Å; K492-V516 HydrophobicContact CG-CG1 4.14Å; K492-H601 WeakPolarHBondContact CE-NE2 3.35Å; K492-H601 WeakPolarHBondContact CE-O 3.09Å; K492-H601 PolarHBondContact NZ-O 2.86Å
493	A	94.6	Very high	94.5	Very high	15 Å²	15	22.5 Å²	22.5	12%	0.124	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-116.6	179.3	0	0	0	0	0	112.1	G495 G496 Y497 V516 A517 I519 V572	A493-G495 VanDerWaalsContact C-N 3.26Å; A493-G495 PolarHBondContact O-N 3.23Å; A493-G496 WeakPolarHBondContact O-CA 3.37Å; A493-G496 PolarHBondContact O-N 3.28Å; A493-G496 VanDerWaalsContact O-N 3.08Å; A493-Y497 PolarHBondContact O-N 3.49Å; A493-V516 PolarHBondContact N-O 2.82Å; A493-A517 WeakPolarHBondContact CA-O 3.08Å; A493-A517 PolarHBondContact N-O 3.31Å; A493-I519 PolarHBondContact O-N 2.88Å; A493-V572 HydrophobicContact CB-CG2 4.07Å
494	L	92.6	Very high	94.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-64.4	-30.8	172.6	-171.5	72.2	0	0	0	112.5	G412 L462 K492 G496 Y497 L498 I519 F522 F529	G412-L494 VanDerWaalsContact O-CD2 3.27Å; G412-L494 WeakPolarHBondContact O-CD2 3.34Å; L462-L494 HydrophobicContact CD2-CD1 4.23Å; K492-L494 PolarHBondContact O-N 2.87Å; L494-G496 VanDerWaalsContact C-N 3.29Å; L494-G496 PolarHBondContact O-N 2.69Å; L494-Y497 HydrophobicContact CD1-CD1 3.72Å; L494-Y497 HydrophobicContact CD1-CE1 4.46Å; L494-Y497 HydrophobicContact CD1-CG 4.37Å; L494-Y497 VanDerWaalsContact O-CB 3.28Å; L494-Y497 WeakPolarHBondContact O-CB 3.44Å; L494-Y497 PolarHBondContact O-N 3.39Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 2.89Å; L494-I519 HydrophobicContact CB-CD1 4.32Å; L494-F522 HydrophobicContact CD1-CE1 3.84Å; L494-F522 HydrophobicContact CD1-CZ 3.64Å; L494-F529 HydrophobicContact CD2-CZ 4.29Å
495	G	93.9	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-37.3	170.6	0	0	0	0	0	111.9	V410 D411 G491 K492 A493 L498 A499	V410-G495 VanDerWaalsContact O-CA 3.23Å; V410-G495 WeakPolarHBondContact O-CA 3.44Å; D411-G495 VanDerWaalsContact O-CA 3.23Å; D411-G495 WeakPolarHBondContact O-CA 3.19Å; D411-G495 PolarHBondContact O-N 2.78Å; D411-G495 VanDerWaalsContact O-N 3.14Å; G491-G495 VanDerWaalsContact CA-C 3.47Å; K492-G495 WeakPolarHBondContact O-CA 3.43Å; K492-G495 PolarHBondContact O-N 2.82Å; A493-G495 VanDerWaalsContact C-N 3.26Å; A493-G495 PolarHBondContact O-N 3.23Å; G495-L498 PolarHBondContact O-N 3.44Å; G495-A499 WeakPolarHBondContact O-CB 3.41Å; G495-A499 PolarHBondContact O-N 3.44Å
496	G	96.1	Very high	94.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-40.2	175.5	0	0	0	0	0	112	G491 K492 A493 L494 A499 L500	G491-G496 VanDerWaalsContact C-N 3.27Å; G491-G496 WeakPolarHBondContact O-CA 3.4Å; K492-G496 PolarHBondContact O-N 3.12Å; A493-G496 WeakPolarHBondContact O-CA 3.37Å; A493-G496 PolarHBondContact O-N 3.28Å; A493-G496 VanDerWaalsContact O-N 3.08Å; L494-G496 VanDerWaalsContact C-N 3.29Å; L494-G496 PolarHBondContact O-N 2.69Å; G496-A499 PolarHBondContact O-N 3.36Å; G496-L500 WeakPolarHBondContact O-CG 3.36Å; G496-L500 PolarHBondContact O-N 3.38Å; G496-L500 VanDerWaalsContact O-N 3.08Å
497	Y	95.6	Very high	94	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-53.4	-53.9	168.2	165.8	-109.9	0	0	0	111.7	A493 L494 A499 L500 K501 I519 F522 A547 V549	A493-Y497 PolarHBondContact O-N 3.49Å; L494-Y497 HydrophobicContact CD1-CD1 3.72Å; L494-Y497 HydrophobicContact CD1-CE1 4.46Å; L494-Y497 HydrophobicContact CD1-CG 4.37Å; L494-Y497 VanDerWaalsContact O-CB 3.28Å; L494-Y497 WeakPolarHBondContact O-CB 3.44Å; L494-Y497 PolarHBondContact O-N 3.39Å; Y497-A499 PolarHBondContact O-N 2.95Å; Y497-L500 PolarHBondContact O-N 3.27Å; Y497-K501 HydrophobicContact CD2-CG 3.97Å; Y497-K501 HydrophobicContact CE1-CG 4.24Å; Y497-K501 HydrophobicContact CE2-CD 3.83Å; Y497-K501 HydrophobicContact CE2-CG 3.43Å; Y497-K501 VanDerWaalsContact CE2-CG 3.43Å; Y497-K501 WeakPolarHBondContact O-CG 3.34Å; Y497-K501 PolarHBondContact O-N 2.84Å; Y497-I519 WeakPolarHBondContact CB-O 3.34Å; Y497-I519 VanDerWaalsContact CD2-O 3.3Å; Y497-I519 WeakPolarHBondContact CD2-O 3.41Å; Y497-F522 HydrophobicContact CD1-CE2 4.37Å; Y497-F522 HydrophobicContact CD1-CZ 4Å; Y497-F522 HydrophobicContact CD2-CE2 4.35Å; Y497-F522 AromaticContact CE1-CE2 3.97Å; Y497-F522 HydrophobicContact CE1-CE2 3.97Å; Y497-F522 AromaticContact CE1-CZ 3.95Å; Y497-F522 HydrophobicContact CE1-CZ 3.95Å; Y497-F522 AromaticContact CE2-CE2 3.97Å; Y497-F522 HydrophobicContact CE2-CE2 3.97Å; Y497-F522 HydrophobicContact CE2-CZ 4.49Å; Y497-F522 HydrophobicContact CG-CZ 4.29Å; Y497-F522 AromaticContact CZ-CE2 3.74Å; Y497-A547 WeakPolarHBondContact CE2-O 3.37Å; Y497-A547 PolarHBondContact OH-O 2.84Å; Y497-V549 HydrophobicContact CD2-CG2 3.51Å; Y497-V549 HydrophobicContact CE2-CG2 3.71Å
498	L	94.4	Very high	93.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-178.2	-72	173.7	0	0	0	112	V410 R466 V467 Y470 L494 G495 L500 K501 M502	V410-L498 HydrophobicContact CG1-CB 3.55Å; V410-L498 HydrophobicContact CG1-CD1 3.98Å; V410-L498 HydrophobicContact CG1-CG 4.43Å; R466-L498 HydrophobicContact CB-CD1 4.35Å; R466-L498 HydrophobicContact CB-CD2 3.97Å; V467-L498 HydrophobicContact CG2-CD2 4.33Å; Y470-L498 HydrophobicContact CE2-CD1 4.43Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 2.89Å; G495-L498 PolarHBondContact O-N 3.44Å; L498-L500 PolarHBondContact O-N 2.85Å; L498-K501 PolarHBondContact O-N 2.73Å; L498-M502 WeakPolarHBondContact O-CB 3.39Å; L498-M502 VanDerWaalsContact O-CG 3.23Å; L498-M502 WeakPolarHBondContact O-CG 3.49Å; L498-M502 PolarHBondContact O-N 2.86Å
499	A	95.6	Very high	93	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-45.8	175.6	0	0	0	0	0	111.6	L489 G495 G496 Y497 M502 L503	L489-A499 HydrophobicContact CB-CB 4.14Å; L489-A499 WeakPolarHBondContact CD1-O 3.45Å; G495-A499 WeakPolarHBondContact O-CB 3.41Å; G495-A499 PolarHBondContact O-N 3.44Å; G496-A499 PolarHBondContact O-N 3.36Å; Y497-A499 PolarHBondContact O-N 2.95Å; A499-M502 PolarHBondContact O-N 3.47Å; A499-L503 WeakPolarHBondContact O-CB 3.25Å; A499-L503 PolarHBondContact O-N 2.85Å
500	L	95.5	Very high	92.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-38.5	176.4	-66.5	176.1	0	0	0	112.5	G496 Y497 L498 L503 A504 A515 P518 V549 F561 L580	G496-L500 WeakPolarHBondContact O-CG 3.36Å; G496-L500 PolarHBondContact O-N 3.38Å; G496-L500 VanDerWaalsContact O-N 3.08Å; Y497-L500 PolarHBondContact O-N 3.27Å; L498-L500 PolarHBondContact O-N 2.85Å; L500-L503 PolarHBondContact O-N 2.75Å; L500-A504 WeakPolarHBondContact O-CB 3.5Å; L500-A504 PolarHBondContact O-N 2.93Å; L500-A515 HydrophobicContact CD1-CB 4.17Å; L500-A515 HydrophobicContact CD2-CB 4.1Å; L500-A515 HydrophobicContact CG-CB 3.96Å; L500-P518 HydrophobicContact CD1-CB 4Å; L500-P518 HydrophobicContact CD1-CG 4.21Å; L500-V549 HydrophobicContact CB-CG1 4.11Å; L500-V549 HydrophobicContact CB-CG2 4.42Å; L500-V549 HydrophobicContact CD1-CG1 4.39Å; L500-F561 HydrophobicContact CD2-CD2 3.95Å; L500-F561 HydrophobicContact CD2-CE2 4.44Å; L500-F561 HydrophobicContact CD2-CG 4.21Å; L500-L580 HydrophobicContact CD1-CD2 3.73Å
501	K	94.1	Very high	92.6	Very high	11 Å²	11	29.6 Å²	29.6	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-36.1	175.1	-70.6	-69.9	-80	-176.1	0	112.6	V467 Y497 L498 A505 T546 S548 V549 E552	V467-K501 HydrophobicContact CG2-CB 3.97Å; Y497-K501 HydrophobicContact CD2-CG 3.97Å; Y497-K501 HydrophobicContact CE1-CG 4.24Å; Y497-K501 HydrophobicContact CE2-CD 3.83Å; Y497-K501 HydrophobicContact CE2-CG 3.43Å; Y497-K501 VanDerWaalsContact CE2-CG 3.43Å; Y497-K501 WeakPolarHBondContact O-CG 3.34Å; Y497-K501 PolarHBondContact O-N 2.84Å; L498-K501 PolarHBondContact O-N 2.73Å; K501-A505 WeakPolarHBondContact O-CB 3.27Å; K501-A505 PolarHBondContact O-N 2.91Å; K501-A505 VanDerWaalsContact O-N 3.08Å; K501-T546 PolarHBondContact NZ-O 3.22Å; K501-T546 VanDerWaalsContact NZ-O 3.14Å; K501-S548 PolarHBondContact NZ-O 2.71Å; K501-V549 HydrophobicContact CD-CG2 3.88Å; K501-V549 HydrophobicContact CG-CG2 3.97Å; K501-E552 WeakPolarHBondContact CD-OE2 3.49Å; K501-E552 WeakPolarHBondContact CE-OE2 3.5Å; K501-E552 IonicContact NZ-OE1 3.67Å; K501-E552 PolarHBondContact NZ-OE1 3.05Å; K501-E552 IonicContact NZ-OE2 2.81Å; K501-E552 PolarHBondContact NZ-OE2 2.75Å
502	M	93.7	Very high	92.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-46.6	174.3	-74.7	173.1	62.1	0	0	110.5	V410 V467 Y470 L489 L498 A499 A504 A505 T506 F510	V410-M502 HydrophobicContact CG2-SD 4.32Å; V467-M502 HydrophobicContact CB-CG 4.35Å; V467-M502 HydrophobicContact CG1-CG 4.03Å; V467-M502 HydrophobicContact CG2-CG 4.01Å; Y470-M502 HydrophobicContact CD1-SD 4.43Å; Y470-M502 HydrophobicContact CD2-SD 4.21Å; Y470-M502 HydrophobicContact CG-CE 4.23Å; Y470-M502 HydrophobicContact CG-SD 3.86Å; L489-M502 HydrophobicContact CD1-CB 3.76Å; L489-M502 HydrophobicContact CD1-CE 4.15Å; L489-M502 HydrophobicContact CD1-SD 4.49Å; L489-M502 HydrophobicContact CD2-CE 3.74Å; L498-M502 WeakPolarHBondContact O-CB 3.39Å; L498-M502 VanDerWaalsContact O-CG 3.23Å; L498-M502 WeakPolarHBondContact O-CG 3.49Å; L498-M502 PolarHBondContact O-N 2.86Å; A499-M502 PolarHBondContact O-N 3.47Å; M502-A504 VanDerWaalsContact C-N 3.33Å; M502-A504 PolarHBondContact O-N 3.08Å; M502-A505 PolarHBondContact O-N 3.34Å; M502-T506 PolarHBondContact O-N 3.11Å; M502-T506 PolarHBondContact O-OG1 2.91Å; M502-F510 HydrophobicContact CB-CE2 4.11Å; M502-F510 HydrophobicContact CE-CE1 4.21Å; M502-F510 HydrophobicContact CE-CE2 4.1Å; M502-F510 HydrophobicContact CE-CZ 3.5Å; M502-F510 VanDerWaalsContact CE-CZ 3.5Å
503	L	93.9	Very high	92.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-45.7	176.4	-162.6	64.7	0	0	0	111.3	A499 L500 A505 F510 A513 L556 E559 F561	A499-L503 WeakPolarHBondContact O-CB 3.25Å; A499-L503 PolarHBondContact O-N 2.85Å; L500-L503 PolarHBondContact O-N 2.75Å; L503-A505 VanDerWaalsContact C-N 3.27Å; L503-A505 PolarHBondContact O-N 2.89Å; L503-F510 HydrophobicContact CD1-CB 3.84Å; L503-F510 HydrophobicContact CD1-CD2 4.45Å; L503-A513 HydrophobicContact CD2-CB 3.91Å; L503-L556 HydrophobicContact CB-CD2 4.08Å; L503-L556 HydrophobicContact CD2-CD2 4.06Å; L503-L556 HydrophobicContact CG-CD2 4.11Å; L503-E559 HydrophobicContact CD1-CB 4.33Å; L503-E559 HydrophobicContact CD1-CG 4.29Å; L503-E559 WeakPolarHBondContact CD1-OE2 3.44Å; L503-E559 HydrophobicContact CD2-CB 3.82Å; L503-E559 HydrophobicContact CD2-CG 4.37Å; L503-E559 HydrophobicContact CG-CB 3.87Å; L503-E559 HydrophobicContact CG-CG 3.87Å; L503-F561 HydrophobicContact CD2-CB 3.92Å; L503-F561 HydrophobicContact CD2-CD1 3.92Å; L503-F561 HydrophobicContact CD2-CG 4.17Å
504	A	92.3	Very high	92.8	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.9	176.2	0	0	0	0	0	114.7	L500 M502 E552 K555 L556	L500-A504 WeakPolarHBondContact O-CB 3.5Å; L500-A504 PolarHBondContact O-N 2.93Å; M502-A504 VanDerWaalsContact C-N 3.33Å; M502-A504 PolarHBondContact O-N 3.08Å; A504-E552 HydrophobicContact CB-CB 4.41Å; A504-K555 HydrophobicContact CB-CB 4.02Å; A504-K555 WeakPolarHBondContact O-CD 3.18Å; A504-L556 HydrophobicContact CB-CD2 3.82Å; A504-L556 HydrophobicContact CB-CG 4.23Å
505	A	90	Very high	93.1	Very high	55 Å²	55	25.4 Å²	25.4	46%	0.455	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-11.2	-175.4	0	0	0	0	0	113.6	V467 K501 M502 L503	V467-A505 HydrophobicContact CG1-CB 4.12Å; K501-A505 WeakPolarHBondContact O-CB 3.27Å; K501-A505 PolarHBondContact O-N 2.91Å; K501-A505 VanDerWaalsContact O-N 3.08Å; M502-A505 PolarHBondContact O-N 3.34Å; L503-A505 VanDerWaalsContact C-N 3.27Å; L503-A505 PolarHBondContact O-N 2.89Å
506	T	87.1	Confident	93.3	Very high	22 Å²	22	25.9 Å²	25.9	14%	0.135	15%	0.145	C	C	.	.	S	Bend	trans	-132.3	139.4	-173.8	56.6	0	0	0	0	111.1	L471 M502 L509 F510	L471-T506 HydrophobicContact CD1-CG2 3.92Å; L471-T506 HydrophobicContact CD2-CG2 3.48Å; L471-T506 VanDerWaalsContact CD2-CG2 3.48Å; L471-T506 HydrophobicContact CG-CG2 4.36Å; M502-T506 PolarHBondContact O-N 3.11Å; M502-T506 PolarHBondContact O-OG1 2.91Å; T506-L509 HydrophobicContact CG2-CB 4.39Å; T506-L509 HydrophobicContact CG2-CD2 3.94Å; T506-F510 HydrophobicContact CG2-CE2 4.33Å; T506-F510 WeakPolarHBondContact OG1-CD2 3.43Å; T506-F510 WeakPolarHBondContact OG1-CE2 3.27Å
507	D	83.2	Confident	93.3	Very high	154 Å²	154	26 Å²	26	82%	0.824	15%	0.146	S	C	*	.	S	Bend	trans	-90.9	119.6	174.9	-56	-39.6	0	0	0	109.5	L509	D507-L509 PolarHBondContact O-N 2.7Å
508	N	81.9	Confident	93.4	Very high	151 Å²	151	26 Å²	26	81%	0.807	15%	0.146	S	C	*	.	S	Bend	trans	57.9	17.7	173	-62.6	-34.3	0	0	0	116.9
509	L	90.6	Very high	93.5	Very high	60 Å²	60	26 Å²	26	31%	0.314	15%	0.146	S	C	.	.	S	Bend	trans	-77	-33.8	175.9	-175.7	62.1	0	0	0	112.4	L471 V474 T506 D507	L471-L509 HydrophobicContact CD2-CD2 3.72Å; V474-L509 HydrophobicContact CG1-CD1 4Å; V474-L509 HydrophobicContact CG1-CD2 4.01Å; V474-L509 HydrophobicContact CG1-CG 4.23Å; T506-L509 HydrophobicContact CG2-CB 4.39Å; T506-L509 HydrophobicContact CG2-CD2 3.94Å; D507-L509 PolarHBondContact O-N 2.7Å
510	F	94	Very high	93.6	Very high	6 Å²	6	26 Å²	26	3%	0.026	15%	0.146	C	C	.	.			trans	-113.4	132.5	-177.8	-56	-68.9	0	0	0	109.5	I408 L471 V474 I487 L489 M502 L503 T506	I408-F510 HydrophobicContact CD1-CE1 4.27Å; L471-F510 HydrophobicContact CD2-CE2 4.15Å; L471-F510 HydrophobicContact CD2-CZ 4.03Å; V474-F510 HydrophobicContact CG2-CE1 4.05Å; V474-F510 HydrophobicContact CG2-CZ 4.14Å; I487-F510 HydrophobicContact CB-CD1 4.17Å; I487-F510 HydrophobicContact CG2-CD1 3.69Å; I487-F510 HydrophobicContact CG2-CE1 3.87Å; I487-F510 CarbonylContact O-C 3.26Å; I487-F510 WeakPolarHBondContact O-CA 3.44Å; L489-F510 HydrophobicContact CD1-CD1 4.01Å; L489-F510 HydrophobicContact CD1-CD2 3.8Å; L489-F510 HydrophobicContact CD1-CE1 4.17Å; L489-F510 HydrophobicContact CD1-CE2 3.96Å; L489-F510 HydrophobicContact CD1-CG 3.82Å; L489-F510 HydrophobicContact CD1-CZ 4.14Å; L489-F510 HydrophobicContact CD2-CD1 3.74Å; L489-F510 HydrophobicContact CD2-CE1 3.53Å; L489-F510 HydrophobicContact CD2-CG 4.41Å; L489-F510 HydrophobicContact CD2-CZ 4.04Å; L489-F510 HydrophobicContact CG-CB 4.48Å; L489-F510 HydrophobicContact CG-CD1 3.67Å; L489-F510 HydrophobicContact CG-CD2 4.37Å; L489-F510 HydrophobicContact CG-CE1 3.96Å; L489-F510 HydrophobicContact CG-CG 3.91Å; L489-F510 HydrophobicContact CG-CZ 4.41Å; M502-F510 HydrophobicContact CB-CE2 4.11Å; M502-F510 HydrophobicContact CE-CE1 4.21Å; M502-F510 HydrophobicContact CE-CE2 4.1Å; M502-F510 HydrophobicContact CE-CZ 3.5Å; M502-F510 VanDerWaalsContact CE-CZ 3.5Å; L503-F510 HydrophobicContact CD1-CB 3.84Å; L503-F510 HydrophobicContact CD1-CD2 4.45Å; T506-F510 HydrophobicContact CG2-CE2 4.33Å; T506-F510 WeakPolarHBondContact OG1-CD2 3.43Å; T506-F510 WeakPolarHBondContact OG1-CE2 3.27Å
511	Q	93.8	Very high	93.6	Very high	66 Å²	66	26 Å²	26	31%	0.308	15%	0.146	S	C	.	.	S	Bend	trans	-77.1	-32.2	179.4	-167.2	175.3	11.2	0	0	111.9	I487 C623	I487-Q511 PolarHBondContact O-N 2.9Å; Q511-C623 PolarHBondContact NE2-O 3.13Å; Q511-C623 PolarHBondContact OE1-O 2.93Å; Q511-C623 VanDerWaalsContact OE1-O 3.14Å
512	C	95.2	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	170	170.8	62	0	0	0	0	113.2	A488 L489 N560 Y619 C623	A488-C512 VanDerWaalsContact CA-O 3.26Å; A488-C512 WeakPolarHBondContact CA-O 3.2Å; L489-C512 PolarHBondContact N-O 3.19Å; C512-N560 CarbonylContact C-O 3.6Å; C512-N560 WeakPolarHBondContact CA-O 3.5Å; C512-N560 HydrophobicContact CB-CB 4.29Å; C512-N560 WeakPolarHBondContact CB-O 3.26Å; C512-Y619 HydrophobicContact CB-CE1 4.23Å; C512-C623 HydrophobicContact CB-CB 3.88Å; C512-C623 WeakPolarHBondContact CB-SG 3.3Å; C512-C623 WeakPolarHBondContact SG-CB 3.39Å; C512-C623 CovalentContact SG-SG 2Å; C512-C623 PolarHBondContact SG-SG 2.88Å
513	A	97.2	Very high	93.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.7	170.4	0	0	0	0	0	113	L489 L503 N560 F561 L562 Y619	L489-A513 HydrophobicContact CB-CB 3.93Å; L489-A513 CarbonylContact O-C 3.58Å; L489-A513 VanDerWaalsContact O-CA 3.29Å; L489-A513 WeakPolarHBondContact O-CA 3.47Å; L503-A513 HydrophobicContact CD2-CB 3.91Å; A513-N560 PolarHBondContact N-O 3.25Å; A513-F561 HydrophobicContact CB-CB 4.08Å; A513-F561 CarbonylContact O-C 3.51Å; A513-F561 WeakPolarHBondContact O-CA 3.3Å; A513-F561 WeakPolarHBondContact O-CB 3.18Å; A513-L562 PolarHBondContact O-N 2.78Å; A513-Y619 WeakPolarHBondContact O-CE1 3.47Å
514	A	98.2	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.4	167.4	0	0	0	0	0	109.6	L489 F490 G491 Y619 L620	L489-A514 PolarHBondContact O-N 3.44Å; F490-A514 WeakPolarHBondContact CA-O 3.33Å; F490-A514 HydrophobicContact CD2-CB 3.89Å; G491-A514 PolarHBondContact N-O 3.26Å; A514-Y619 HydrophobicContact CB-CD1 4.31Å; A514-Y619 HydrophobicContact CB-CE1 4.41Å; A514-L620 HydrophobicContact CB-CD2 4.27Å
515	A	98	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.4	-177.9	0	0	0	0	0	110.6	L500 P518 L562 I563 V564	L500-A515 HydrophobicContact CD1-CB 4.17Å; L500-A515 HydrophobicContact CD2-CB 4.1Å; L500-A515 HydrophobicContact CG-CB 3.96Å; A515-P518 HydrophobicContact CB-CB 4.22Å; A515-P518 HydrophobicContact CB-CG 4.27Å; A515-L562 PolarHBondContact N-O 2.89Å; A515-I563 WeakPolarHBondContact O-CA 3.46Å; A515-V564 PolarHBondContact O-N 3.35Å
516	V	98.1	Very high	94.2	Very high	11 Å²	11	29 Å²	29	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.1	-177.2	-174.5	0	0	0	0	110.2	F490 G491 K492 A493 P518 V564 F612	F490-V516 HydrophobicContact CE2-CG2 3.58Å; F490-V516 HydrophobicContact CZ-CG2 3.87Å; G491-V516 PolarHBondContact O-N 3.42Å; K492-V516 CarbonylContact C-O 3.55Å; K492-V516 WeakPolarHBondContact CA-O 3.47Å; K492-V516 HydrophobicContact CB-CB 4.17Å; K492-V516 HydrophobicContact CD-CG1 4.44Å; K492-V516 HydrophobicContact CG-CB 4.08Å; K492-V516 HydrophobicContact CG-CG1 4.14Å; A493-V516 PolarHBondContact N-O 2.82Å; V516-P518 VanDerWaalsContact C-N 3.31Å; V516-V564 CarbonylContact C-O 3.55Å; V516-V564 WeakPolarHBondContact CA-O 3.4Å; V516-V564 HydrophobicContact CG1-CB 4.32Å; V516-V564 HydrophobicContact CG2-CB 4.18Å; V516-V564 HydrophobicContact CG2-CG2 4.43Å; V516-F612 HydrophobicContact CG1-CE2 4Å; V516-F612 HydrophobicContact CG1-CZ 4.22Å; V516-F612 HydrophobicContact CG2-CE2 3.8Å; V516-F612 HydrophobicContact CG2-CZ 3.95Å
517	A	97.8	Very high	94.6	Very high	3 Å²	3	28 Å²	28	3%	0.025	14%	0.139	C	C	.	.	S	Bend	trans	41.1	55.6	-175.3	0	0	0	0	0	111.9	A493 V564 D569 V572	A493-A517 WeakPolarHBondContact CA-O 3.08Å; A493-A517 PolarHBondContact N-O 3.31Å; A517-V564 PolarHBondContact N-O 3.3Å; A517-D569 WeakPolarHBondContact CB-OD2 3.49Å; A517-V572 HydrophobicContact CB-CB 4.38Å; A517-V572 WeakPolarHBondContact O-CG1 3.46Å
518	P	97.5	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.			trans	-69.4	136.6	-171.3	28.3	-34.1	0	0	0	111.3	L500 A515 V516 T520 H576	L500-P518 HydrophobicContact CD1-CB 4Å; L500-P518 HydrophobicContact CD1-CG 4.21Å; A515-P518 HydrophobicContact CB-CB 4.22Å; A515-P518 HydrophobicContact CB-CG 4.27Å; V516-P518 VanDerWaalsContact C-N 3.31Å; P518-T520 HydrophobicContact CB-CG2 4.46Å; P518-T520 HydrophobicContact CG-CG2 4.31Å; P518-T520 PolarHBondContact O-N 2.74Å; P518-H576 WeakPolarHBondContact O-CB 3.47Å
519	I	96.9	Very high	95.4	Very high	2 Å²	2	14 Å²	14	1%	0.01	6%	0.063	C	C	.	.			trans	-72.3	116.6	165.3	-60.1	172.2	0	0	0	107.3	A493 L494 Y497 F522 Y525 V572	A493-I519 PolarHBondContact O-N 2.88Å; L494-I519 HydrophobicContact CB-CD1 4.32Å; Y497-I519 WeakPolarHBondContact CB-O 3.34Å; Y497-I519 VanDerWaalsContact CD2-O 3.3Å; Y497-I519 WeakPolarHBondContact CD2-O 3.41Å; I519-F522 HydrophobicContact CG2-CD1 4.05Å; I519-F522 HydrophobicContact CG2-CE1 3.92Å; I519-F522 HydrophobicContact CG2-CZ 4.34Å; I519-Y525 HydrophobicContact CD1-CD1 4.39Å; I519-Y525 HydrophobicContact CD1-CD2 3.91Å; I519-Y525 HydrophobicContact CD1-CE1 4.32Å; I519-Y525 HydrophobicContact CD1-CE2 3.81Å; I519-Y525 HydrophobicContact CD1-CG 4.21Å; I519-Y525 HydrophobicContact CG1-CD2 4.04Å; I519-Y525 HydrophobicContact CG1-CE2 4.16Å; I519-V572 HydrophobicContact CD1-CG2 4.35Å; I519-V572 HydrophobicContact CG1-CG1 3.99Å; I519-V572 HydrophobicContact CG1-CG2 3.76Å
520	T	96.4	Very high	95.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.			trans	-101	-26.1	-176.4	54.1	0	0	0	0	113.6	P518 S548 V549 H576 L580	P518-T520 HydrophobicContact CB-CG2 4.46Å; P518-T520 HydrophobicContact CG-CG2 4.31Å; P518-T520 PolarHBondContact O-N 2.74Å; T520-S548 PolarHBondContact O-OG 3.13Å; T520-V549 PolarHBondContact O-N 3.35Å; T520-H576 HydrophobicContact CG2-CB 4.3Å; T520-H576 WeakPolarHBondContact CG2-O 3.49Å; T520-H576 PolarHBondContact N-ND1 2.63Å; T520-H576 VanDerWaalsContact N-ND1 3.16Å; T520-H576 VanDerWaalsContact OG1-C 3.32Å; T520-H576 VanDerWaalsContact OG1-CA 3.25Å; T520-H576 WeakPolarHBondContact OG1-CA 3.13Å; T520-H576 WeakPolarHBondContact OG1-CB 2.93Å; T520-H576 PolarHBondContact OG1-ND1 2.97Å; T520-H576 PolarHBondContact OG1-O 2.75Å; T520-L580 HydrophobicContact CG2-CB 3.87Å; T520-L580 HydrophobicContact CG2-CD2 3.8Å; T520-L580 HydrophobicContact CG2-CG 4.38Å
521	D	95.7	Very high	95.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.048	C	C	.	.			trans	-153.7	122.7	179.6	-165.6	-52.4	0	0	0	110.2	R523 F524 S548 L550 H576	D521-R523 PolarHBondContact O-N 3.44Å; D521-R523 VanDerWaalsContact O-N 3.16Å; D521-R523 WeakPolarHBondContact OD1-CB 3.36Å; D521-R523 VanDerWaalsContact OD1-CG 3.26Å; D521-R523 WeakPolarHBondContact OD1-CG 3.37Å; D521-R523 IonicContact OD1-CZ 3.56Å; D521-R523 PolarHBondContact OD1-N 3.16Å; D521-R523 IonicContact OD1-NE 3.91Å; D521-R523 PolarHBondContact OD1-NE 2.88Å; D521-R523 IonicContact OD2-CZ 3.77Å; D521-R523 IonicContact OD2-NE 3.02Å; D521-R523 PolarHBondContact OD2-NE 3.27Å; D521-R523 IonicContact OD2-NH2 2.84Å; D521-R523 PolarHBondContact OD2-NH2 2.86Å; D521-F524 HydrophobicContact CB-CD2 3.75Å; D521-F524 HydrophobicContact CB-CE2 3.85Å; D521-F524 HydrophobicContact CB-CG 4.44Å; D521-F524 PolarHBondContact O-N 2.84Å; D521-S548 PolarHBondContact OD2-OG 3.03Å; D521-L550 HydrophobicContact CB-CD1 3.95Å; D521-L550 HydrophobicContact CB-CG 4.49Å; D521-H576 PolarHBondContact O-CE1 3.25Å
522	F	94.7	Very high	94.9	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.5	-176.5	-67.4	-79.4	0	0	0	113.8	L462 L494 Y497 I519 F524 Y525 F529 S530 L534 Y544 A547	L462-F522 HydrophobicContact CD2-CE1 4.27Å; L462-F522 HydrophobicContact CD2-CZ 4.11Å; L494-F522 HydrophobicContact CD1-CE1 3.84Å; L494-F522 HydrophobicContact CD1-CZ 3.64Å; Y497-F522 HydrophobicContact CD1-CE2 4.37Å; Y497-F522 HydrophobicContact CD1-CZ 4Å; Y497-F522 HydrophobicContact CD2-CE2 4.35Å; Y497-F522 AromaticContact CE1-CE2 3.97Å; Y497-F522 HydrophobicContact CE1-CE2 3.97Å; Y497-F522 AromaticContact CE1-CZ 3.95Å; Y497-F522 HydrophobicContact CE1-CZ 3.95Å; Y497-F522 AromaticContact CE2-CE2 3.97Å; Y497-F522 HydrophobicContact CE2-CE2 3.97Å; Y497-F522 HydrophobicContact CE2-CZ 4.49Å; Y497-F522 HydrophobicContact CG-CZ 4.29Å; Y497-F522 AromaticContact CZ-CE2 3.74Å; I519-F522 HydrophobicContact CG2-CD1 4.05Å; I519-F522 HydrophobicContact CG2-CE1 3.92Å; I519-F522 HydrophobicContact CG2-CZ 4.34Å; F522-F524 PolarHBondContact O-N 3.07Å; F522-Y525 PolarHBondContact O-N 3.45Å; F522-F529 HydrophobicContact CD1-CD1 4.45Å; F522-F529 HydrophobicContact CD1-CE1 4.23Å; F522-F529 AromaticContact CE1-CE1 3.87Å; F522-F529 HydrophobicContact CE1-CE1 3.87Å; F522-S530 WeakPolarHBondContact O-CB 3.31Å; F522-S530 PolarHBondContact O-OG 3.42Å; F522-L534 HydrophobicContact CB-CD1 3.53Å; F522-L534 HydrophobicContact CD1-CD1 4.49Å; F522-L534 HydrophobicContact CD2-CD1 3.75Å; F522-L534 HydrophobicContact CG-CD1 3.67Å; F522-Y544 HydrophobicContact CB-CD1 3.89Å; F522-Y544 HydrophobicContact CB-CE1 3.84Å; F522-A547 HydrophobicContact CD2-CB 3.75Å; F522-A547 HydrophobicContact CE2-CB 3.92Å
523	R	95.4	Very high	94.4	Very high	93 Å²	93	9 Å²	9	35%	0.351	4%	0.038	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.3	170.8	-63.2	176.1	-73.2	-171.8	-2.5	112.3	D521 Y544	D521-R523 PolarHBondContact O-N 3.44Å; D521-R523 VanDerWaalsContact O-N 3.16Å; D521-R523 WeakPolarHBondContact OD1-CB 3.36Å; D521-R523 VanDerWaalsContact OD1-CG 3.26Å; D521-R523 WeakPolarHBondContact OD1-CG 3.37Å; D521-R523 IonicContact OD1-CZ 3.56Å; D521-R523 PolarHBondContact OD1-N 3.16Å; D521-R523 IonicContact OD1-NE 3.91Å; D521-R523 PolarHBondContact OD1-NE 2.88Å; D521-R523 IonicContact OD2-CZ 3.77Å; D521-R523 IonicContact OD2-NE 3.02Å; D521-R523 PolarHBondContact OD2-NE 3.27Å; D521-R523 IonicContact OD2-NH2 2.84Å; D521-R523 PolarHBondContact OD2-NH2 2.86Å; R523-Y544 HydrophobicContact CG-CD1 3.63Å; R523-Y544 HydrophobicContact CG-CE1 4.37Å; R523-Y544 HydrophobicContact CG-CG 4.21Å
524	F	96.3	Very high	93.9	Very high	37 Å²	37	9 Å²	9	16%	0.162	4%	0.038	C	C	.	.	S	Bend	trans	-89.6	-13.1	178	-53.5	-33.7	0	0	0	113.2	K129 D521 F522 L550 E579	K129-F524 WeakPolarHBondContact CE-O 3.33Å; D521-F524 HydrophobicContact CB-CD2 3.75Å; D521-F524 HydrophobicContact CB-CE2 3.85Å; D521-F524 HydrophobicContact CB-CG 4.44Å; D521-F524 PolarHBondContact O-N 2.84Å; F522-F524 PolarHBondContact O-N 3.07Å; F524-L550 HydrophobicContact CE2-CD1 3.97Å; F524-E579 HydrophobicContact CE2-CB 4.16Å; F524-E579 HydrophobicContact CE2-CG 3.76Å; F524-E579 HydrophobicContact CZ-CG 4.13Å
525	Y	95.9	Very high	93.5	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.012	5%	0.047	C	C	.	.	S	Bend	trans	-89.5	170.6	179.8	-155.8	-105.9	0	0	0	111.7	E79 K129 A130 I519 F522 F529 R571 V572 H576	E79-Y525 WeakPolarHBondContact OE1-CE1 3.47Å; E79-Y525 PolarHBondContact OE1-OH 2.82Å; E79-Y525 VanDerWaalsContact OE1-OH 3.13Å; K129-Y525 WeakPolarHBondContact CA-O 2.87Å; A130-Y525 PolarHBondContact N-O 3Å; A130-Y525 VanDerWaalsContact N-O 3.13Å; I519-Y525 HydrophobicContact CD1-CD1 4.39Å; I519-Y525 HydrophobicContact CD1-CD2 3.91Å; I519-Y525 HydrophobicContact CD1-CE1 4.32Å; I519-Y525 HydrophobicContact CD1-CE2 3.81Å; I519-Y525 HydrophobicContact CD1-CG 4.21Å; I519-Y525 HydrophobicContact CG1-CD2 4.04Å; I519-Y525 HydrophobicContact CG1-CE2 4.16Å; F522-Y525 PolarHBondContact O-N 3.45Å; Y525-F529 HydrophobicContact CD1-CB 3.64Å; Y525-F529 AromaticContact CD1-CD1 3.59Å; Y525-F529 HydrophobicContact CD1-CD1 3.59Å; Y525-F529 HydrophobicContact CD1-CE1 4.42Å; Y525-F529 AromaticContact CD1-CG 3.7Å; Y525-F529 HydrophobicContact CD1-CG 3.7Å; Y525-F529 HydrophobicContact CE1-CB 3.46Å; Y525-F529 VanDerWaalsContact CE1-CB 3.46Å; Y525-F529 AromaticContact CE1-CD1 3.72Å; Y525-F529 HydrophobicContact CE1-CD1 3.72Å; Y525-F529 AromaticContact CE1-CD2 3.86Å; Y525-F529 HydrophobicContact CE1-CD2 3.86Å; Y525-F529 HydrophobicContact CE1-CE1 4.44Å; Y525-F529 AromaticContact CE1-CG 3.41Å; Y525-F529 HydrophobicContact CE1-CG 3.41Å; Y525-F529 VanDerWaalsContact CE1-CG 3.41Å; Y525-R571 WeakPolarHBondContact CE2-O 3.32Å; Y525-R571 PolarHBondContact OH-NE 2.92Å; Y525-V572 HydrophobicContact CD2-CG2 4.47Å; Y525-V572 HydrophobicContact CE2-CG2 3.81Å; Y525-H576 AromaticContact CD2-NE2 3.98Å
526	S	94.7	Very high	93.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-61	144.1	-170.1	70	0	0	0	0	113.1	W74 E79 Y127 P128 A528 F529 S530	W74-S526 VanDerWaalsContact CZ3-CB 3.46Å; E79-S526 PolarHBondContact OE1-OG 3.46Å; Y127-S526 PolarHBondContact OH-N 3.45Å; Y127-S526 VanDerWaalsContact OH-N 3.08Å; P128-S526 CarbonylContact O-C 3.43Å; P128-S526 WeakPolarHBondContact O-CA 3.29Å; S526-A528 VanDerWaalsContact C-N 3.32Å; S526-A528 PolarHBondContact O-N 3.01Å; S526-F529 PolarHBondContact O-N 2.88Å; S526-F529 WeakPolarHBondContact OG-CB 3.45Å; S526-F529 PolarHBondContact OG-N 2.69Å; S526-S530 WeakPolarHBondContact O-CB 3.21Å; S526-S530 PolarHBondContact O-N 2.9Å; S526-S530 PolarHBondContact O-OG 3.4Å
527	A	94.8	Very high	92.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.5	-44.6	176.7	0	0	0	0	0	111.7	P128 I134 F529 E531	P128-A527 HydrophobicContact CB-CB 4.23Å; P128-A527 PolarHBondContact O-N 2.76Å; I134-A527 HydrophobicContact CG2-CB 3.98Å; A527-F529 VanDerWaalsContact C-N 3.31Å; A527-F529 PolarHBondContact O-N 3.28Å; A527-E531 WeakPolarHBondContact O-CB 3.46Å; A527-E531 VanDerWaalsContact O-CG 3.27Å; A527-E531 WeakPolarHBondContact O-CG 3.18Å; A527-E531 PolarHBondContact O-N 2.75Å
528	A	91.6	Very high	92.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-38.6	178.6	0	0	0	0	0	112.5	T75 E79 Q186 S526 R532	T75-A528 HydrophobicContact CG2-CB 4.17Å; E79-A528 HydrophobicContact CB-CB 3.73Å; E79-A528 HydrophobicContact CG-CB 4.3Å; Q186-A528 PolarHBondContact NE2-O 3.18Å; S526-A528 VanDerWaalsContact C-N 3.32Å; S526-A528 PolarHBondContact O-N 3.01Å; A528-R532 WeakPolarHBondContact O-CB 3.18Å
529	F	90	Very high	92.4	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-80.1	-52.9	177.7	-174.8	-81.4	0	0	0	112.6	L462 L494 F522 Y525 S526 A527 R532 F533	L462-F529 HydrophobicContact CD2-CE1 4.48Å; L494-F529 HydrophobicContact CD2-CZ 4.29Å; F522-F529 HydrophobicContact CD1-CD1 4.45Å; F522-F529 HydrophobicContact CD1-CE1 4.23Å; F522-F529 AromaticContact CE1-CE1 3.87Å; F522-F529 HydrophobicContact CE1-CE1 3.87Å; Y525-F529 HydrophobicContact CD1-CB 3.64Å; Y525-F529 AromaticContact CD1-CD1 3.59Å; Y525-F529 HydrophobicContact CD1-CD1 3.59Å; Y525-F529 HydrophobicContact CD1-CE1 4.42Å; Y525-F529 AromaticContact CD1-CG 3.7Å; Y525-F529 HydrophobicContact CD1-CG 3.7Å; Y525-F529 HydrophobicContact CE1-CB 3.46Å; Y525-F529 VanDerWaalsContact CE1-CB 3.46Å; Y525-F529 AromaticContact CE1-CD1 3.72Å; Y525-F529 HydrophobicContact CE1-CD1 3.72Å; Y525-F529 AromaticContact CE1-CD2 3.86Å; Y525-F529 HydrophobicContact CE1-CD2 3.86Å; Y525-F529 HydrophobicContact CE1-CE1 4.44Å; Y525-F529 AromaticContact CE1-CG 3.41Å; Y525-F529 HydrophobicContact CE1-CG 3.41Å; Y525-F529 VanDerWaalsContact CE1-CG 3.41Å; S526-F529 PolarHBondContact O-N 2.88Å; S526-F529 WeakPolarHBondContact OG-CB 3.45Å; S526-F529 PolarHBondContact OG-N 2.69Å; A527-F529 VanDerWaalsContact C-N 3.31Å; A527-F529 PolarHBondContact O-N 3.28Å; F529-R532 WeakPolarHBondContact O-CB 3.36Å; F529-R532 PolarHBondContact O-N 2.91Å; F529-F533 AromaticContact CD1-CD2 3.98Å; F529-F533 HydrophobicContact CD1-CD2 3.98Å; F529-F533 HydrophobicContact CD1-CE2 4.18Å; F529-F533 AromaticContact CD2-CE2 3.96Å; F529-F533 HydrophobicContact CD2-CE2 3.96Å; F529-F533 AromaticContact CE1-CD2 3.71Å; F529-F533 HydrophobicContact CE1-CD2 3.71Å; F529-F533 AromaticContact CE1-CE2 3.88Å; F529-F533 HydrophobicContact CE1-CE2 3.88Å; F529-F533 HydrophobicContact CE2-CD2 4.34Å; F529-F533 AromaticContact CE2-CE2 3.66Å; F529-F533 HydrophobicContact CE2-CE2 3.66Å; F529-F533 HydrophobicContact CG-CD2 4.37Å; F529-F533 HydrophobicContact CG-CE2 4.2Å; F529-F533 AromaticContact CZ-CD2 3.9Å; F529-F533 HydrophobicContact CZ-CD2 3.9Å; F529-F533 AromaticContact CZ-CE2 3.6Å; F529-F533 HydrophobicContact CZ-CE2 3.6Å; F529-F533 WeakPolarHBondContact O-CD2 3.46Å
530	S	91.9	Very high	92.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-42.5	-171.4	-65.1	0	0	0	0	111.8	F522 S526 R532 F533 L534 Y544	F522-S530 WeakPolarHBondContact O-CB 3.31Å; F522-S530 PolarHBondContact O-OG 3.42Å; S526-S530 WeakPolarHBondContact O-CB 3.21Å; S526-S530 PolarHBondContact O-N 2.9Å; S526-S530 PolarHBondContact O-OG 3.4Å; S530-R532 VanDerWaalsContact C-N 3.33Å; S530-R532 PolarHBondContact O-N 2.98Å; S530-F533 PolarHBondContact O-N 3.14Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 3.17Å; S530-Y544 WeakPolarHBondContact CB-OH 3.27Å; S530-Y544 PolarHBondContact O-OH 3.09Å
531	E	91.4	Very high	91.8	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-70.8	-29.6	-178.7	-61.5	174.5	-169.5	0	0	112.5	G131 R184 A527 F533 G535 F536	G131-E531 WeakPolarHBondContact CA-OE1 3.43Å; G131-E531 PolarHBondContact N-OE1 3.07Å; R184-E531 WeakPolarHBondContact CG-OE2 3.39Å; R184-E531 IonicContact CZ-OE1 3.73Å; R184-E531 IonicContact CZ-OE2 2.74Å; R184-E531 IonicContact NE-OE1 3.14Å; R184-E531 IonicContact NE-OE2 3.24Å; R184-E531 PolarHBondContact NE-OE2 2.9Å; R184-E531 IonicContact NH2-OE1 3.26Å; R184-E531 PolarHBondContact NH2-OE1 3.23Å; R184-E531 IonicContact NH2-OE2 3.57Å; R184-E531 PolarHBondContact NH2-OE2 3.15Å; A527-E531 WeakPolarHBondContact O-CB 3.46Å; A527-E531 VanDerWaalsContact O-CG 3.27Å; A527-E531 WeakPolarHBondContact O-CG 3.18Å; A527-E531 PolarHBondContact O-N 2.75Å; E531-F533 VanDerWaalsContact C-N 3.3Å; E531-F533 PolarHBondContact O-N 3.07Å; E531-G535 WeakPolarHBondContact CA-O 3.25Å; E531-G535 WeakPolarHBondContact O-CA 3.46Å; E531-G535 PolarHBondContact O-N 2.8Å; E531-F536 WeakPolarHBondContact OE2-CE1 3.03Å
532	R	86.1	Confident	91.5	Very high	15 Å²	15	41.8 Å²	41.8	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-39.5	174.5	173.5	175.7	54	-169.2	-1.6	112.2	E79 Q186 N214 A528 F529 S530	E79-R532 IonicContact OE2-NH2 2.73Å; Q186-R532 HydrophobicContact CB-CG 4.48Å; N214-R532 PolarHBondContact OD1-NH1 3.22Å; N214-R532 PolarHBondContact OD1-NH2 3.38Å; N214-R532 VanDerWaalsContact OD1-NH2 3.07Å; A528-R532 WeakPolarHBondContact O-CB 3.18Å; F529-R532 WeakPolarHBondContact O-CB 3.36Å; F529-R532 PolarHBondContact O-N 2.91Å; S530-R532 VanDerWaalsContact C-N 3.33Å; S530-R532 PolarHBondContact O-N 2.98Å
533	F	83.4	Confident	91.2	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-98.6	-43.6	-176.2	-59.3	-62.3	0	0	0	113	P414 P459 R460 L462 F529 S530 E531	P414-F533 HydrophobicContact CB-CE1 3.57Å; P414-F533 HydrophobicContact CB-CZ 3.68Å; P414-F533 HydrophobicContact CG-CD1 4.16Å; P414-F533 HydrophobicContact CG-CE1 3.56Å; P414-F533 HydrophobicContact CG-CE2 4.21Å; P414-F533 HydrophobicContact CG-CZ 3.59Å; P459-F533 CarbonylContact C-O 3.51Å; P459-F533 WeakPolarHBondContact CB-O 3.44Å; R460-F533 PolarHBondContact N-O 2.75Å; L462-F533 HydrophobicContact CD1-CD1 4.46Å; L462-F533 HydrophobicContact CD1-CG 4.44Å; L462-F533 HydrophobicContact CD2-CB 4.18Å; L462-F533 HydrophobicContact CD2-CD2 4.32Å; L462-F533 HydrophobicContact CD2-CG 4.28Å; F529-F533 AromaticContact CD1-CD2 3.98Å; F529-F533 HydrophobicContact CD1-CD2 3.98Å; F529-F533 HydrophobicContact CD1-CE2 4.18Å; F529-F533 AromaticContact CD2-CE2 3.96Å; F529-F533 HydrophobicContact CD2-CE2 3.96Å; F529-F533 AromaticContact CE1-CD2 3.71Å; F529-F533 HydrophobicContact CE1-CD2 3.71Å; F529-F533 AromaticContact CE1-CE2 3.88Å; F529-F533 HydrophobicContact CE1-CE2 3.88Å; F529-F533 HydrophobicContact CE2-CD2 4.34Å; F529-F533 AromaticContact CE2-CE2 3.66Å; F529-F533 HydrophobicContact CE2-CE2 3.66Å; F529-F533 HydrophobicContact CG-CD2 4.37Å; F529-F533 HydrophobicContact CG-CE2 4.2Å; F529-F533 AromaticContact CZ-CD2 3.9Å; F529-F533 HydrophobicContact CZ-CD2 3.9Å; F529-F533 AromaticContact CZ-CE2 3.6Å; F529-F533 HydrophobicContact CZ-CE2 3.6Å; F529-F533 WeakPolarHBondContact O-CD2 3.46Å; S530-F533 PolarHBondContact O-N 3.14Å; E531-F533 VanDerWaalsContact C-N 3.3Å; E531-F533 PolarHBondContact O-N 3.07Å
534	L	87.9	Confident	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-99.6	-10.1	-173.7	-57.1	-179.2	0	0	0	113.3	F522 S530 E540 Y544 A547	F522-L534 HydrophobicContact CB-CD1 3.53Å; F522-L534 HydrophobicContact CD1-CD1 4.49Å; F522-L534 HydrophobicContact CD2-CD1 3.75Å; F522-L534 HydrophobicContact CG-CD1 3.67Å; S530-L534 WeakPolarHBondContact O-CB 3.41Å; S530-L534 PolarHBondContact O-N 3.17Å; L534-E540 WeakPolarHBondContact O-CB 3.4Å; L534-Y544 HydrophobicContact CB-CD2 4.07Å; L534-Y544 HydrophobicContact CB-CE1 4.34Å; L534-Y544 HydrophobicContact CB-CE2 3.52Å; L534-Y544 HydrophobicContact CD1-CD1 3.86Å; L534-Y544 HydrophobicContact CD1-CD2 4.34Å; L534-Y544 HydrophobicContact CD1-CE1 3.83Å; L534-Y544 HydrophobicContact CD1-CE2 4.28Å; L534-Y544 HydrophobicContact CD1-CG 4.13Å; L534-A547 HydrophobicContact CD1-CB 4.13Å; L534-A547 HydrophobicContact CD2-CB 4.4Å
535	G	89.3	Confident	90.8	Very high	18 Å²	18	40.2 Å²	40.2	19%	0.186	21%	0.211	C	C	.	.			trans	75.6	-169.8	-171.1	0	0	0	0	0	112.9	E531 Y544	E531-G535 WeakPolarHBondContact CA-O 3.25Å; E531-G535 WeakPolarHBondContact O-CA 3.46Å; E531-G535 PolarHBondContact O-N 2.8Å; G535-Y544 VanDerWaalsContact O-CE2 3.3Å; G535-Y544 WeakPolarHBondContact O-CE2 3.5Å; G535-Y544 PolarHBondContact O-OH 2.96Å
536	F	91.9	Very high	90.5	Very high	63 Å²	63	42.8 Å²	42.8	28%	0.276	23%	0.227	S	C	.	.			trans	-72.6	127.7	-178.2	-66.9	-83.9	0	0	0	111.2	R184 A185 E531 A538 K539 E540	R184-F536 HydrophobicContact CG-CE1 4.14Å; R184-F536 HydrophobicContact CG-CZ 4.16Å; A185-F536 HydrophobicContact CB-CE2 3.96Å; A185-F536 HydrophobicContact CB-CZ 4.28Å; E531-F536 WeakPolarHBondContact OE2-CE1 3.03Å; F536-A538 VanDerWaalsContact C-N 3.26Å; F536-A538 PolarHBondContact O-N 3.47Å; F536-K539 PolarHBondContact O-N 2.73Å; F536-E540 PolarHBondContact O-N 2.81Å
537	P	92.4	Very high	90.3	Very high	25 Å²	25	43.1 Å²	43.1	16%	0.162	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.7	-179.5	-24.9	29.9	0	0	0	114.1	A130 K539 E540 E541 Y544	A130-P537 HydrophobicContact CB-CG 3.7Å; P537-K539 PolarHBondContact O-N 3.14Å; P537-K539 VanDerWaalsContact O-N 3.17Å; P537-E540 PolarHBondContact O-N 3.38Å; P537-E541 PolarHBondContact O-N 2.82Å; P537-Y544 HydrophobicContact CB-CD2 4.25Å; P537-Y544 HydrophobicContact CB-CE2 4.07Å; P537-Y544 HydrophobicContact CG-CD2 4.43Å; P537-Y544 HydrophobicContact CG-CE1 4.04Å; P537-Y544 HydrophobicContact CG-CE2 3.82Å
538	A	92.3	Very high	90.2	Very high	104 Å²	104	43.1 Å²	43.1	86%	0.86	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	-179.7	0	0	0	0	0	114.3	F536	F536-A538 VanDerWaalsContact C-N 3.26Å; F536-A538 PolarHBondContact O-N 3.47Å
539	K	91.4	Very high	90.3	Very high	169 Å²	169	43.1 Å²	43.1	74%	0.735	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-28.1	177.6	-62.8	-175.1	-178.7	179.6	0	112.6	F536 P537	F536-K539 PolarHBondContact O-N 2.73Å; P537-K539 PolarHBondContact O-N 3.14Å; P537-K539 VanDerWaalsContact O-N 3.17Å
540	E	89.9	Confident	90.5	Very high	47 Å²	47	43.3 Å²	43.3	22%	0.22	23%	0.231	C	C	.	.			trans	-120.7	38.2	-169.2	-57.8	-64.8	168	0	0	111.8	R460 L534 F536 P537 H542 A543 Y544	R460-E540 IonicContact CZ-OE1 2.75Å; R460-E540 IonicContact CZ-OE2 3.11Å; R460-E540 IonicContact NH1-OE1 2.77Å; R460-E540 PolarHBondContact NH1-OE1 3.08Å; R460-E540 IonicContact NH1-OE2 3.28Å; R460-E540 PolarHBondContact NH1-OE2 3.27Å; R460-E540 IonicContact NH2-OE1 3.62Å; R460-E540 PolarHBondContact NH2-OE1 2.99Å; L534-E540 WeakPolarHBondContact O-CB 3.4Å; F536-E540 PolarHBondContact O-N 2.81Å; P537-E540 PolarHBondContact O-N 3.38Å; E540-H542 VanDerWaalsContact C-N 3.29Å; E540-H542 PolarHBondContact O-N 3.01Å; E540-A543 HydrophobicContact CB-CB 4.25Å; E540-A543 WeakPolarHBondContact O-CB 3.42Å; E540-A543 PolarHBondContact O-N 3.13Å; E540-Y544 PolarHBondContact O-N 3.43Å
541	E	90.7	Very high	90.4	Very high	132 Å²	132	48.3 Å²	48.3	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-53	-44.2	-174.5	-175.5	174.8	-167	0	0	112.8	P537 A543 Y544 M545	P537-E541 PolarHBondContact O-N 2.82Å; E541-A543 VanDerWaalsContact C-N 3.26Å; E541-A543 PolarHBondContact O-N 3.42Å; E541-Y544 PolarHBondContact O-N 3.33Å; E541-Y544 VanDerWaalsContact O-N 3.14Å; E541-M545 HydrophobicContact CG-CG 4.47Å; E541-M545 HydrophobicContact CG-SD 4.18Å; E541-M545 WeakPolarHBondContact O-CG 3.43Å; E541-M545 PolarHBondContact O-N 2.84Å
542	H	89.4	Confident	90.4	Very high	147 Å²	147	50.3 Å²	50.3	68%	0.681	26%	0.264	S	S	*	.	H	α-helix	trans	-58.6	-36.4	177.8	-177.3	-68.7	0	0	0	112.7	E540 M545 T546	E540-H542 VanDerWaalsContact C-N 3.29Å; E540-H542 PolarHBondContact O-N 3.01Å; H542-M545 PolarHBondContact O-N 3.02Å; H542-T546 PolarHBondContact CE1-OG1 3.47Å; H542-T546 PolarHBondContact ND1-OG1 2.75Å; H542-T546 WeakPolarHBondContact O-CB 3.14Å; H542-T546 PolarHBondContact O-N 2.65Å; H542-T546 PolarHBondContact O-OG1 3.01Å
543	A	89.4	Confident	90.7	Very high	11 Å²	11	49.9 Å²	49.9	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-42.6	178.6	0	0	0	0	0	110.8	R460 E540 E541 A547	R460-A543 HydrophobicContact CB-CB 4.32Å; E540-A543 HydrophobicContact CB-CB 4.25Å; E540-A543 WeakPolarHBondContact O-CB 3.42Å; E540-A543 PolarHBondContact O-N 3.13Å; E541-A543 VanDerWaalsContact C-N 3.26Å; E541-A543 PolarHBondContact O-N 3.42Å; A543-A547 WeakPolarHBondContact O-CB 3.33Å; A543-A547 PolarHBondContact O-N 3.35Å
544	Y	91.9	Very high	91.2	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-41.2	176.1	-79.4	-95.9	0	0	0	112.6	A130 F522 R523 S530 L534 G535 P537 E540 E541 A547 S548	A130-Y544 HydrophobicContact CB-CE1 3.92Å; F522-Y544 HydrophobicContact CB-CD1 3.89Å; F522-Y544 HydrophobicContact CB-CE1 3.84Å; R523-Y544 HydrophobicContact CG-CD1 3.63Å; R523-Y544 HydrophobicContact CG-CE1 4.37Å; R523-Y544 HydrophobicContact CG-CG 4.21Å; S530-Y544 WeakPolarHBondContact CB-OH 3.27Å; S530-Y544 PolarHBondContact O-OH 3.09Å; L534-Y544 HydrophobicContact CB-CD2 4.07Å; L534-Y544 HydrophobicContact CB-CE1 4.34Å; L534-Y544 HydrophobicContact CB-CE2 3.52Å; L534-Y544 HydrophobicContact CD1-CD1 3.86Å; L534-Y544 HydrophobicContact CD1-CD2 4.34Å; L534-Y544 HydrophobicContact CD1-CE1 3.83Å; L534-Y544 HydrophobicContact CD1-CE2 4.28Å; L534-Y544 HydrophobicContact CD1-CG 4.13Å; G535-Y544 VanDerWaalsContact O-CE2 3.3Å; G535-Y544 WeakPolarHBondContact O-CE2 3.5Å; G535-Y544 PolarHBondContact O-OH 2.96Å; P537-Y544 HydrophobicContact CB-CD2 4.25Å; P537-Y544 HydrophobicContact CB-CE2 4.07Å; P537-Y544 HydrophobicContact CG-CD2 4.43Å; P537-Y544 HydrophobicContact CG-CE1 4.04Å; P537-Y544 HydrophobicContact CG-CE2 3.82Å; E540-Y544 PolarHBondContact O-N 3.43Å; E541-Y544 PolarHBondContact O-N 3.33Å; E541-Y544 VanDerWaalsContact O-N 3.14Å; Y544-A547 PolarHBondContact O-N 3.42Å; Y544-S548 PolarHBondContact O-N 2.96Å
545	M	90.5	Very high	91.5	Very high	84 Å²	84	61 Å²	61	41%	0.414	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-50.2	176	-69.8	177.6	68	0	0	111.6	E541 H542 A547 S548	E541-M545 HydrophobicContact CG-CG 4.47Å; E541-M545 HydrophobicContact CG-SD 4.18Å; E541-M545 WeakPolarHBondContact O-CG 3.43Å; E541-M545 PolarHBondContact O-N 2.84Å; H542-M545 PolarHBondContact O-N 3.02Å; M545-A547 VanDerWaalsContact C-N 3.25Å; M545-A547 PolarHBondContact O-N 2.91Å; M545-S548 WeakPolarHBondContact O-CB 3.36Å; M545-S548 PolarHBondContact O-N 3.32Å; M545-S548 VanDerWaalsContact O-N 3.11Å
546	T	89.4	Confident	91.7	Very high	58 Å²	58	60.1 Å²	60.1	36%	0.356	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-34.4	-179.8	-54.4	0	0	0	0	112	K501 H542 S548	K501-T546 PolarHBondContact NZ-O 3.22Å; K501-T546 VanDerWaalsContact NZ-O 3.14Å; H542-T546 PolarHBondContact CE1-OG1 3.47Å; H542-T546 PolarHBondContact ND1-OG1 2.75Å; H542-T546 WeakPolarHBondContact O-CB 3.14Å; H542-T546 PolarHBondContact O-N 2.65Å; H542-T546 PolarHBondContact O-OG1 3.01Å; T546-S548 VanDerWaalsContact C-N 3.28Å; T546-S548 PolarHBondContact O-N 3.48Å
547	A	90.1	Very high	91.7	Very high	7 Å²	7	60.7 Å²	60.7	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-77.9	-8.5	179	0	0	0	0	0	113.3	Y497 F522 L534 A543 Y544 M545	Y497-A547 WeakPolarHBondContact CE2-O 3.37Å; Y497-A547 PolarHBondContact OH-O 2.84Å; F522-A547 HydrophobicContact CD2-CB 3.75Å; F522-A547 HydrophobicContact CE2-CB 3.92Å; L534-A547 HydrophobicContact CD1-CB 4.13Å; L534-A547 HydrophobicContact CD2-CB 4.4Å; A543-A547 WeakPolarHBondContact O-CB 3.33Å; A543-A547 PolarHBondContact O-N 3.35Å; Y544-A547 PolarHBondContact O-N 3.42Å; M545-A547 VanDerWaalsContact C-N 3.25Å; M545-A547 PolarHBondContact O-N 2.91Å
548	S	93	Very high	91.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.			trans	-78.9	145.9	179.7	-167.9	0	0	0	0	112	K501 T520 D521 Y544 M545 T546 L550	K501-S548 PolarHBondContact NZ-O 2.71Å; T520-S548 PolarHBondContact O-OG 3.13Å; D521-S548 PolarHBondContact OD2-OG 3.03Å; Y544-S548 PolarHBondContact O-N 2.96Å; M545-S548 WeakPolarHBondContact O-CB 3.36Å; M545-S548 PolarHBondContact O-N 3.32Å; M545-S548 VanDerWaalsContact O-N 3.11Å; T546-S548 VanDerWaalsContact C-N 3.28Å; T546-S548 PolarHBondContact O-N 3.48Å; S548-L550 WeakPolarHBondContact OG-CB 3.19Å; S548-L550 PolarHBondContact OG-N 2.83Å
549	V	93.1	Very high	91.6	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-82.6	-27.3	167.3	-179.5	0	0	0	0	110	Y497 L500 K501 T520 E551 E552 V553 L556 L580	Y497-V549 HydrophobicContact CD2-CG2 3.51Å; Y497-V549 HydrophobicContact CE2-CG2 3.71Å; L500-V549 HydrophobicContact CB-CG1 4.11Å; L500-V549 HydrophobicContact CB-CG2 4.42Å; L500-V549 HydrophobicContact CD1-CG1 4.39Å; K501-V549 HydrophobicContact CD-CG2 3.88Å; K501-V549 HydrophobicContact CG-CG2 3.97Å; T520-V549 PolarHBondContact O-N 3.35Å; V549-E551 PolarHBondContact O-N 3.17Å; V549-E552 PolarHBondContact O-N 3.21Å; V549-V553 WeakPolarHBondContact O-CG2 3.47Å; V549-L556 HydrophobicContact CG1-CD1 4.17Å; V549-L580 HydrophobicContact CG1-CD1 4.25Å
550	L	94.7	Very high	91.7	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26	-174.3	-56.8	-179.7	0	0	0	112.9	D521 F524 S548 E552 V553 E579 L580 R583	D521-L550 HydrophobicContact CB-CD1 3.95Å; D521-L550 HydrophobicContact CB-CG 4.49Å; F524-L550 HydrophobicContact CE2-CD1 3.97Å; S548-L550 WeakPolarHBondContact OG-CB 3.19Å; S548-L550 PolarHBondContact OG-N 2.83Å; L550-E552 VanDerWaalsContact C-N 3.35Å; L550-V553 WeakPolarHBondContact O-CG2 3.38Å; L550-E579 HydrophobicContact CD1-CB 4.12Å; L550-E579 HydrophobicContact CD2-CB 4.34Å; L550-L580 HydrophobicContact CD2-CB 3.9Å; L550-L580 HydrophobicContact CD2-CD1 4.19Å; L550-R583 HydrophobicContact CD2-CG 4.48Å
551	E	90.9	Very high	92	Very high	105 Å²	105	55.9 Å²	55.9	49%	0.491	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-15.2	177.8	-57.3	-58.9	154.5	0	0	113	V549	V549-E551 PolarHBondContact O-N 3.17Å
552	E	89.8	Confident	92.4	Very high	47 Å²	47	50 Å²	50	22%	0.22	25%	0.245	C	C	.	.	S	Bend	trans	-113.1	11.5	-174.7	-70.3	175.6	177.6	0	0	113.2	K501 A504 V549 L550 N554 K555	K501-E552 WeakPolarHBondContact CD-OE2 3.49Å; K501-E552 WeakPolarHBondContact CE-OE2 3.5Å; K501-E552 IonicContact NZ-OE1 3.67Å; K501-E552 PolarHBondContact NZ-OE1 3.05Å; K501-E552 IonicContact NZ-OE2 2.81Å; K501-E552 PolarHBondContact NZ-OE2 2.75Å; A504-E552 HydrophobicContact CB-CB 4.41Å; V549-E552 PolarHBondContact O-N 3.21Å; L550-E552 VanDerWaalsContact C-N 3.35Å; E552-N554 PolarHBondContact O-N 3.21Å; E552-N554 VanDerWaalsContact O-N 3.1Å; E552-K555 WeakPolarHBondContact O-CB 3.24Å; E552-K555 PolarHBondContact O-N 2.85Å
553	V	94	Very high	92.8	Very high	5 Å²	5	43 Å²	43	3%	0.03	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-59	-28.9	-172.4	176.7	0	0	0	0	113.5	V549 L550 K555 L556 L580 R583 L584 V587	V549-V553 WeakPolarHBondContact O-CG2 3.47Å; L550-V553 WeakPolarHBondContact O-CG2 3.38Å; V553-K555 PolarHBondContact O-N 2.97Å; V553-L556 WeakPolarHBondContact O-CB 3.32Å; V553-L556 PolarHBondContact O-N 3.23Å; V553-L580 HydrophobicContact CG2-CD1 3.85Å; V553-R583 HydrophobicContact CB-CB 4.28Å; V553-R583 HydrophobicContact CG1-CB 4.03Å; V553-R583 HydrophobicContact CG2-CB 3.9Å; V553-L584 HydrophobicContact CG1-CD2 3.6Å; V553-L584 HydrophobicContact CG1-CG 3.96Å; V553-V587 HydrophobicContact CG1-CG1 4.42Å; V553-V587 HydrophobicContact CG1-CG2 3.75Å
554	N	93.6	Very high	93.2	Very high	120 Å²	120	42.5 Å²	42.5	64%	0.642	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-58	-30.9	173.8	-72.1	-30.3	0	0	0	113	E552 L556 K557 V587	E552-N554 PolarHBondContact O-N 3.21Å; E552-N554 VanDerWaalsContact O-N 3.1Å; N554-L556 PolarHBondContact O-N 2.91Å; N554-K557 WeakPolarHBondContact O-CB 3.26Å; N554-K557 PolarHBondContact O-N 3.48Å; N554-V587 WeakPolarHBondContact OD1-CG1 3.25Å
555	K	93.6	Very high	93.6	Very high	120 Å²	120	42.4 Å²	42.4	52%	0.522	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-77.7	-10.6	179.4	-54.4	-173.3	-175.1	176.9	0	113.1	A504 E552 V553	A504-K555 HydrophobicContact CB-CB 4.02Å; A504-K555 WeakPolarHBondContact O-CD 3.18Å; E552-K555 WeakPolarHBondContact O-CB 3.24Å; E552-K555 PolarHBondContact O-N 2.85Å; V553-K555 PolarHBondContact O-N 2.97Å
556	L	93.5	Very high	93.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-95.1	4.7	176.8	-62.1	177.3	0	0	0	112.5	L503 A504 V549 V553 N554 E558 E559 F561 L584	L503-L556 HydrophobicContact CB-CD2 4.08Å; L503-L556 HydrophobicContact CD2-CD2 4.06Å; L503-L556 HydrophobicContact CG-CD2 4.11Å; A504-L556 HydrophobicContact CB-CD2 3.82Å; A504-L556 HydrophobicContact CB-CG 4.23Å; V549-L556 HydrophobicContact CG1-CD1 4.17Å; V553-L556 WeakPolarHBondContact O-CB 3.32Å; V553-L556 PolarHBondContact O-N 3.23Å; N554-L556 PolarHBondContact O-N 2.91Å; L556-E558 PolarHBondContact O-N 2.92Å; L556-E559 PolarHBondContact O-N 2.93Å; L556-F561 HydrophobicContact CB-CE1 4.05Å; L556-F561 HydrophobicContact CB-CZ 4.49Å; L556-L584 HydrophobicContact CB-CD2 4.27Å
557	K	92.8	Very high	94.3	Very high	76 Å²	76	36.3 Å²	36.3	33%	0.33	18%	0.177	S	C	.	.	S	Bend	trans	-62.4	-46.8	-170.3	-174	176.7	178.7	165.8	0	113.3	N554 V587 A589 N590	N554-K557 WeakPolarHBondContact O-CB 3.26Å; N554-K557 PolarHBondContact O-N 3.48Å; K557-V587 WeakPolarHBondContact CD-O 3.38Å; K557-V587 WeakPolarHBondContact CE-O 3.26Å; K557-V587 PolarHBondContact NZ-O 2.77Å; K557-A589 HydrophobicContact CB-CB 4.47Å; K557-N590 PolarHBondContact O-N 2.95Å
558	E	89.8	Confident	94.6	Very high	153 Å²	153	36.5 Å²	36.5	72%	0.715	18%	0.179	S	C	*	.	S	Bend	trans	-93.1	-0.3	-176.8	-56.2	-55.9	145.1	0	0	112.6	L556	L556-E558 PolarHBondContact O-N 2.92Å
559	E	92.6	Very high	94.8	Very high	19 Å²	19	36.7 Å²	36.7	9%	0.089	18%	0.179	C	C	.	.			trans	-88	145.5	-174.3	-65.3	-64.1	154.4	0	0	111.5	L503 L556 F561	L503-E559 HydrophobicContact CD1-CB 4.33Å; L503-E559 HydrophobicContact CD1-CG 4.29Å; L503-E559 WeakPolarHBondContact CD1-OE2 3.44Å; L503-E559 HydrophobicContact CD2-CB 3.82Å; L503-E559 HydrophobicContact CD2-CG 4.37Å; L503-E559 HydrophobicContact CG-CB 3.87Å; L503-E559 HydrophobicContact CG-CG 3.87Å; L556-E559 PolarHBondContact O-N 2.93Å; E559-F561 HydrophobicContact CB-CD1 4.34Å
560	N	93.1	Very high	94.9	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	19%	0.192	S	C	.	.			trans	-99.4	114.5	177	-175.6	4.7	0	0	0	110.8	C512 A513 Y619	C512-N560 CarbonylContact C-O 3.6Å; C512-N560 WeakPolarHBondContact CA-O 3.5Å; C512-N560 HydrophobicContact CB-CB 4.29Å; C512-N560 WeakPolarHBondContact CB-O 3.26Å; A513-N560 PolarHBondContact N-O 3.25Å; N560-Y619 PolarHBondContact O-OH 3.13Å; N560-Y619 PolarHBondContact OD1-OH 2.78Å
561	F	96.4	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.7	176.5	60.6	-82.1	0	0	0	113.6	L500 L503 A513 L556 E559 I563 L584 S592 Y619	L500-F561 HydrophobicContact CD2-CD2 3.95Å; L500-F561 HydrophobicContact CD2-CE2 4.44Å; L500-F561 HydrophobicContact CD2-CG 4.21Å; L503-F561 HydrophobicContact CD2-CB 3.92Å; L503-F561 HydrophobicContact CD2-CD1 3.92Å; L503-F561 HydrophobicContact CD2-CG 4.17Å; A513-F561 HydrophobicContact CB-CB 4.08Å; A513-F561 CarbonylContact O-C 3.51Å; A513-F561 WeakPolarHBondContact O-CA 3.3Å; A513-F561 WeakPolarHBondContact O-CB 3.18Å; L556-F561 HydrophobicContact CB-CE1 4.05Å; L556-F561 HydrophobicContact CB-CZ 4.49Å; E559-F561 HydrophobicContact CB-CD1 4.34Å; F561-I563 HydrophobicContact CD2-CD1 4.43Å; F561-I563 HydrophobicContact CD2-CG1 3.97Å; F561-I563 HydrophobicContact CE2-CD1 3.9Å; F561-I563 HydrophobicContact CE2-CG1 3.95Å; F561-L584 HydrophobicContact CE1-CD2 4.42Å; F561-L584 HydrophobicContact CE2-CD1 3.81Å; F561-L584 HydrophobicContact CZ-CD1 3.63Å; F561-L584 HydrophobicContact CZ-CD2 3.66Å; F561-L584 HydrophobicContact CZ-CG 4.32Å; F561-S592 PolarHBondContact O-N 2.93Å; F561-Y619 VanDerWaalsContact C-OH 3.28Å; F561-Y619 WeakPolarHBondContact CA-OH 3.22Å; F561-Y619 PolarHBondContact N-OH 3.18Å
562	L	98.3	Very high	95.1	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.5	174.4	173.1	66.1	0	0	0	109.6	A513 A515 V564 S592 Q594 T615 Y619	A513-L562 PolarHBondContact O-N 2.78Å; A515-L562 PolarHBondContact N-O 2.89Å; L562-V564 HydrophobicContact CD1-CG2 4.24Å; L562-V564 HydrophobicContact CD2-CG2 3.75Å; L562-V564 HydrophobicContact CG-CG2 3.71Å; L562-S592 WeakPolarHBondContact CA-O 3.29Å; L562-Q594 HydrophobicContact CD1-CB 4.35Å; L562-T615 HydrophobicContact CD2-CG2 4.31Å; L562-Y619 HydrophobicContact CB-CD1 3.79Å; L562-Y619 HydrophobicContact CB-CD2 3.98Å; L562-Y619 HydrophobicContact CB-CE1 3.58Å; L562-Y619 HydrophobicContact CB-CE2 3.79Å; L562-Y619 HydrophobicContact CB-CG 4Å; L562-Y619 HydrophobicContact CD2-CD1 3.94Å; L562-Y619 HydrophobicContact CD2-CD2 4.19Å; L562-Y619 HydrophobicContact CD2-CG 3.72Å; L562-Y619 HydrophobicContact CG-CG 4.44Å; L562-Y619 PolarHBondContact N-OH 2.76Å
563	I	98.5	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.5	165.9	-60	176.9	0	0	0	108.5	A515 F561 S577 L580 L581 L584 S592 L593 Q594	A515-I563 WeakPolarHBondContact O-CA 3.46Å; F561-I563 HydrophobicContact CD2-CD1 4.43Å; F561-I563 HydrophobicContact CD2-CG1 3.97Å; F561-I563 HydrophobicContact CE2-CD1 3.9Å; F561-I563 HydrophobicContact CE2-CG1 3.95Å; I563-S577 WeakPolarHBondContact CG2-OG 3.34Å; I563-L580 HydrophobicContact CD1-CD2 3.73Å; I563-L580 HydrophobicContact CD1-CG 4.32Å; I563-L581 HydrophobicContact CD1-CD2 4.05Å; I563-L584 HydrophobicContact CD1-CD1 4.18Å; I563-S592 PolarHBondContact N-O 3.27Å; I563-L593 HydrophobicContact CB-CD1 3.87Å; I563-L593 HydrophobicContact CG2-CD1 3.81Å; I563-L593 CarbonylContact O-C 3.49Å; I563-L593 WeakPolarHBondContact O-CA 3.33Å; I563-Q594 PolarHBondContact O-N 3.44Å
564	V	98.6	Very high	95.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	171.9	-171.8	0	0	0	0	110	A515 V516 A517 L562 Q594 Y596 F612	A515-V564 PolarHBondContact O-N 3.35Å; V516-V564 CarbonylContact C-O 3.55Å; V516-V564 WeakPolarHBondContact CA-O 3.4Å; V516-V564 HydrophobicContact CG1-CB 4.32Å; V516-V564 HydrophobicContact CG2-CB 4.18Å; V516-V564 HydrophobicContact CG2-CG2 4.43Å; A517-V564 PolarHBondContact N-O 3.3Å; L562-V564 HydrophobicContact CD1-CG2 4.24Å; L562-V564 HydrophobicContact CD2-CG2 3.75Å; L562-V564 HydrophobicContact CG-CG2 3.71Å; V564-Q594 VanDerWaalsContact CA-O 3.28Å; V564-Q594 WeakPolarHBondContact CA-O 3.43Å; V564-Q594 HydrophobicContact CG1-CB 4.31Å; V564-Q594 HydrophobicContact CG1-CG 4.4Å; V564-Q594 HydrophobicContact CG2-CB 4.27Å; V564-Y596 HydrophobicContact CG1-CD2 4Å; V564-Y596 HydrophobicContact CG1-CE2 3.55Å; V564-F612 HydrophobicContact CB-CE2 4.4Å; V564-F612 HydrophobicContact CG1-CD2 3.84Å; V564-F612 HydrophobicContact CG1-CE2 3.95Å
565	H	98.6	Very high	95.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	137.3	-179.2	-143.5	138.7	0	0	0	112.5	D569 V572 F574 S577 Q594 L595 Y596	H565-D569 IonicContact CD2-OD2 3.46Å; H565-D569 IonicContact NE2-OD2 3.62Å; H565-V572 PolarHBondContact CE1-O 3.47Å; H565-V572 PolarHBondContact NE2-O 2.87Å; H565-F574 HydrophobicContact CB-CD2 4.08Å; H565-F574 HydrophobicContact CB-CE2 4.41Å; H565-F574 AromaticContact CG-CD2 3.96Å; H565-S577 WeakPolarHBondContact ND1-CB 3.29Å; H565-S577 PolarHBondContact ND1-OG 3.13Å; H565-Q594 PolarHBondContact N-O 2.81Å; H565-L595 HydrophobicContact CB-CD2 4.11Å; H565-L595 WeakPolarHBondContact O-CA 3.33Å; H565-Y596 PolarHBondContact O-N 2.92Å
566	G	97.9	Very high	96.1	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.5	163.9	0	0	0	0	0	111.1	A568 D569 Y596 E599	G566-A568 VanDerWaalsContact C-N 3.26Å; G566-A568 PolarHBondContact O-N 3.18Å; G566-D569 PolarHBondContact O-N 3.16Å; G566-Y596 WeakPolarHBondContact CA-O 3.4Å; G566-E599 CarbonylContact C-O 3.58Å; G566-E599 VanDerWaalsContact C-O 3.26Å; G566-E599 WeakPolarHBondContact CA-O 3.48Å
567	T	97	Very high	96.4	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.055	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.3	-177.8	65.5	0	0	0	0	112.8	F114 L595 Y596 P597 D598 E599	F114-T567 HydrophobicContact CE2-CG2 4.25Å; T567-L595 HydrophobicContact CG2-CB 4.37Å; T567-Y596 PolarHBondContact N-O 3.14Å; T567-P597 WeakPolarHBondContact OG1-CA 3.24Å; T567-D598 PolarHBondContact OG1-N 3.13Å; T567-E599 PolarHBondContact N-O 3.12Å
568	A	96.6	Very high	96.6	Very high	12 Å²	12	25.7 Å²	25.7	10%	0.099	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	29	176.4	0	0	0	0	0	113.1	I111 G566 A570 E599 G600	I111-A568 HydrophobicContact CG2-CB 3.63Å; G566-A568 VanDerWaalsContact C-N 3.26Å; G566-A568 PolarHBondContact O-N 3.18Å; A568-A570 PolarHBondContact O-N 3.01Å; A568-A570 VanDerWaalsContact O-N 3.12Å; A568-E599 CarbonylContact C-O 3.57Å; A568-E599 VanDerWaalsContact C-O 3.31Å; A568-E599 WeakPolarHBondContact CA-O 3.34Å; A568-E599 PolarHBondContact N-O 2.93Å; A568-G600 WeakPolarHBondContact O-CA 3.33Å
569	D	97.4	Very high	97	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.115	C	C	.	.			trans	-67.4	108.4	177	-167.3	-28.3	0	0	0	111	A517 H565 G566 R571 V572 H573 E599 H601	A517-D569 WeakPolarHBondContact CB-OD2 3.49Å; H565-D569 IonicContact CD2-OD2 3.46Å; H565-D569 IonicContact NE2-OD2 3.62Å; G566-D569 PolarHBondContact O-N 3.16Å; D569-R571 WeakPolarHBondContact OD1-CA 3.14Å; D569-R571 PolarHBondContact OD1-N 2.75Å; D569-V572 VanDerWaalsContact CB-O 3.27Å; D569-V572 WeakPolarHBondContact CB-O 3.07Å; D569-V572 PolarHBondContact OD1-N 3.18Å; D569-H573 WeakPolarHBondContact O-CA 3.38Å; D569-H573 PolarHBondContact O-CD2 2.83Å; D569-E599 PolarHBondContact N-O 2.87Å; D569-H601 VanDerWaalsContact CG-CA 3.48Å; D569-H601 VanDerWaalsContact OD1-CB 3.24Å; D569-H601 WeakPolarHBondContact OD1-CB 3.27Å; D569-H601 IonicContact OD1-CG 3.99Å; D569-H601 IonicContact OD1-ND1 3.57Å; D569-H601 PolarHBondContact OD1-ND1 2.91Å; D569-H601 WeakPolarHBondContact OD2-CA 3.44Å; D569-H601 WeakPolarHBondContact OD2-CB 3.28Å; D569-H601 IonicContact OD2-CE1 3.43Å; D569-H601 IonicContact OD2-CG 3.04Å; D569-H601 IonicContact OD2-ND1 3.16Å; D569-H601 PolarHBondContact OD2-ND1 2.85Å
570	A	94.9	Very high	97.3	Very high	32 Å²	32	20.7 Å²	20.7	26%	0.264	11%	0.111	S	C	.	.	S	Bend	trans	-83.2	-9	177.6	0	0	0	0	0	113.8	W74 I111 F125 A568	W74-A570 VanDerWaalsContact CE2-O 3.28Å; W74-A570 PolarHBondContact NE1-O 2.89Å; I111-A570 HydrophobicContact CD1-CB 3.6Å; F125-A570 HydrophobicContact CZ-CB 4.27Å; A568-A570 PolarHBondContact O-N 3.01Å; A568-A570 VanDerWaalsContact O-N 3.12Å
571	R	94.1	Very high	97.5	Very high	84 Å²	84	18.1 Å²	18.1	32%	0.317	10%	0.097	S	C	.	.	S	Bend	trans	-101.5	-59	-177.5	-177.9	175.6	-178.2	150.1	-4.2	111.7	W74 E78 Y127 Y525 D569 H601	W74-R571 HydrophobicContact CZ2-CB 4.33Å; W74-R571 HydrophobicContact CZ2-CG 4.21Å; E78-R571 WeakPolarHBondContact OE2-CD 3.01Å; E78-R571 IonicContact OE2-CZ 3.46Å; E78-R571 IonicContact OE2-NE 3.64Å; E78-R571 IonicContact OE2-NH1 2.79Å; E78-R571 PolarHBondContact OE2-NH1 3.18Å; Y127-R571 PolarHBondContact OH-O 2.89Å; Y525-R571 WeakPolarHBondContact CE2-O 3.32Å; Y525-R571 PolarHBondContact OH-NE 2.92Å; D569-R571 WeakPolarHBondContact OD1-CA 3.14Å; D569-R571 PolarHBondContact OD1-N 2.75Å; R571-H601 HydrophobicContact CB-CB 3.93Å
572	V	96.9	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-107	94.3	170.1	-176.2	0	0	0	0	105.7	A493 A517 I519 Y525 H565 D569 F574 H576	A493-V572 HydrophobicContact CB-CG2 4.07Å; A517-V572 HydrophobicContact CB-CB 4.38Å; A517-V572 WeakPolarHBondContact O-CG1 3.46Å; I519-V572 HydrophobicContact CD1-CG2 4.35Å; I519-V572 HydrophobicContact CG1-CG1 3.99Å; I519-V572 HydrophobicContact CG1-CG2 3.76Å; Y525-V572 HydrophobicContact CD2-CG2 4.47Å; Y525-V572 HydrophobicContact CE2-CG2 3.81Å; H565-V572 PolarHBondContact CE1-O 3.47Å; H565-V572 PolarHBondContact NE2-O 2.87Å; D569-V572 VanDerWaalsContact CB-O 3.27Å; D569-V572 WeakPolarHBondContact CB-O 3.07Å; D569-V572 PolarHBondContact OD1-N 3.18Å; V572-F574 PolarHBondContact O-N 3.29Å; V572-H576 HydrophobicContact CG1-CB 4.06Å; V572-H576 VanDerWaalsContact CG1-CD2 3.44Å; V572-H576 WeakPolarHBondContact CG1-CD2 3.02Å
573	H	97.9	Very high	97.5	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.014	13%	0.133	C	C	.	.			trans	-52.6	144.7	-175.9	-60.3	124.6	0	0	0	112.9	F125 Y127 D569 Q575 H576	F125-H573 AromaticContact CZ-NE2 3.55Å; Y127-H573 AromaticContact CD1-CE1 3.57Å; Y127-H573 AromaticContact CD2-CE1 3.42Å; Y127-H573 VanDerWaalsContact CD2-CE1 3.42Å; Y127-H573 WeakPolarHBondContact CD2-CE1 3.31Å; Y127-H573 AromaticContact CD2-NE2 3.69Å; Y127-H573 AromaticContact CE1-CE1 3.49Å; Y127-H573 VanDerWaalsContact CE1-CE1 3.49Å; Y127-H573 WeakPolarHBondContact CE1-CE1 3.22Å; Y127-H573 AromaticContact CE2-CE1 3.29Å; Y127-H573 WeakPolarHBondContact CE2-CE1 3.24Å; Y127-H573 AromaticContact CE2-NE2 3.72Å; Y127-H573 AromaticContact CG-CE1 3.54Å; Y127-H573 AromaticContact CZ-CE1 3.35Å; Y127-H573 AromaticContact CZ-ND1 3.98Å; D569-H573 WeakPolarHBondContact O-CA 3.38Å; D569-H573 PolarHBondContact O-CD2 2.83Å; H573-Q575 HydrophobicContact CB-CB 4.12Å; H573-Q575 PolarHBondContact O-N 3.46Å; H573-H576 WeakPolarHBondContact O-CB 3.13Å; H573-H576 PolarHBondContact O-CD2 2.86Å; H573-H576 PolarHBondContact O-N 2.8Å
574	F	97.7	Very high	97.5	Very high	50 Å²	50	25.5 Å²	25.5	22%	0.219	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.7	173.9	179	-116.4	0	0	0	112.8	H565 V572 H576 S577 A578 L595	H565-F574 HydrophobicContact CB-CD2 4.08Å; H565-F574 HydrophobicContact CB-CE2 4.41Å; H565-F574 AromaticContact CG-CD2 3.96Å; V572-F574 PolarHBondContact O-N 3.29Å; F574-H576 PolarHBondContact O-N 3.15Å; F574-H576 VanDerWaalsContact O-N 3.11Å; F574-S577 PolarHBondContact O-N 2.85Å; F574-A578 HydrophobicContact CD1-CB 4.42Å; F574-A578 HydrophobicContact CE1-CB 4.11Å; F574-A578 HydrophobicContact CZ-CB 4.43Å; F574-A578 PolarHBondContact O-N 2.87Å; F574-L595 HydrophobicContact CD2-CD2 4.32Å; F574-L595 HydrophobicContact CE2-CD1 4.3Å; F574-L595 HydrophobicContact CE2-CD2 3.51Å; F574-L595 HydrophobicContact CZ-CD1 4.08Å; F574-L595 HydrophobicContact CZ-CD2 4.13Å
575	Q	98	Very high	97.4	Very high	51 Å²	51	29.6 Å²	29.6	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-45	-40.2	168.8	-178.3	177.3	13.7	0	0	113.2	H573 S577 A578 E579	H573-Q575 HydrophobicContact CB-CB 4.12Å; H573-Q575 PolarHBondContact O-N 3.46Å; Q575-S577 PolarHBondContact O-N 3.04Å; Q575-A578 PolarHBondContact O-N 2.97Å; Q575-E579 HydrophobicContact CG-CG 4.2Å; Q575-E579 WeakPolarHBondContact O-CB 2.85Å; Q575-E579 WeakPolarHBondContact O-CG 3.41Å; Q575-E579 PolarHBondContact O-N 3.37Å
576	H	98.4	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-47.8	178.9	-78.1	-83	0	0	0	112.3	P518 T520 D521 Y525 V572 H573 F574 L580	P518-H576 WeakPolarHBondContact O-CB 3.47Å; T520-H576 HydrophobicContact CG2-CB 4.3Å; T520-H576 WeakPolarHBondContact CG2-O 3.49Å; T520-H576 PolarHBondContact N-ND1 2.63Å; T520-H576 VanDerWaalsContact N-ND1 3.16Å; T520-H576 VanDerWaalsContact OG1-C 3.32Å; T520-H576 VanDerWaalsContact OG1-CA 3.25Å; T520-H576 WeakPolarHBondContact OG1-CA 3.13Å; T520-H576 WeakPolarHBondContact OG1-CB 2.93Å; T520-H576 PolarHBondContact OG1-ND1 2.97Å; T520-H576 PolarHBondContact OG1-O 2.75Å; D521-H576 PolarHBondContact O-CE1 3.25Å; Y525-H576 AromaticContact CD2-NE2 3.98Å; V572-H576 HydrophobicContact CG1-CB 4.06Å; V572-H576 VanDerWaalsContact CG1-CD2 3.44Å; V572-H576 WeakPolarHBondContact CG1-CD2 3.02Å; H573-H576 WeakPolarHBondContact O-CB 3.13Å; H573-H576 PolarHBondContact O-CD2 2.86Å; H573-H576 PolarHBondContact O-N 2.8Å; F574-H576 PolarHBondContact O-N 3.15Å; F574-H576 VanDerWaalsContact O-N 3.11Å; H576-L580 PolarHBondContact O-N 2.9Å
577	S	98.2	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-39.5	176.3	-75.3	0	0	0	0	111.6	I563 H565 F574 Q575 E579 L580 L581	I563-S577 WeakPolarHBondContact CG2-OG 3.34Å; H565-S577 WeakPolarHBondContact ND1-CB 3.29Å; H565-S577 PolarHBondContact ND1-OG 3.13Å; F574-S577 PolarHBondContact O-N 2.85Å; Q575-S577 PolarHBondContact O-N 3.04Å; S577-E579 PolarHBondContact O-N 3.13Å; S577-L580 PolarHBondContact O-N 2.97Å; S577-L581 WeakPolarHBondContact O-CB 3.48Å; S577-L581 WeakPolarHBondContact O-CG 3.27Å; S577-L581 PolarHBondContact O-N 2.77Å
578	A	98.1	Very high	97.2	Very high	38 Å²	38	44.3 Å²	44.3	31%	0.314	22%	0.224	S	C	.	.	H	α-helix	trans	-59.2	-44.2	178.6	0	0	0	0	0	112.6	F574 Q575 L581 S582	F574-A578 HydrophobicContact CD1-CB 4.42Å; F574-A578 HydrophobicContact CE1-CB 4.11Å; F574-A578 HydrophobicContact CZ-CB 4.43Å; F574-A578 PolarHBondContact O-N 2.87Å; Q575-A578 PolarHBondContact O-N 2.97Å; A578-L581 PolarHBondContact O-N 3.16Å; A578-S582 WeakPolarHBondContact O-CB 3.44Å; A578-S582 PolarHBondContact O-N 3.2Å
579	E	98.1	Very high	97.1	Very high	66 Å²	66	44.1 Å²	44.1	31%	0.308	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-42.2	175.2	-75.7	-68	162.4	0	0	112	F524 L550 Q575 S577 S582 R583	F524-E579 HydrophobicContact CE2-CB 4.16Å; F524-E579 HydrophobicContact CE2-CG 3.76Å; F524-E579 HydrophobicContact CZ-CG 4.13Å; L550-E579 HydrophobicContact CD1-CB 4.12Å; L550-E579 HydrophobicContact CD2-CB 4.34Å; Q575-E579 HydrophobicContact CG-CG 4.2Å; Q575-E579 WeakPolarHBondContact O-CB 2.85Å; Q575-E579 WeakPolarHBondContact O-CG 3.41Å; Q575-E579 PolarHBondContact O-N 3.37Å; S577-E579 PolarHBondContact O-N 3.13Å; E579-S582 PolarHBondContact O-N 2.79Å; E579-R583 WeakPolarHBondContact O-CG 2.74Å; E579-R583 PolarHBondContact O-N 3.46Å; E579-R583 VanDerWaalsContact O-N 3.16Å
580	L	98.1	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-46.5	176	176.1	61.9	0	0	0	111.8	L500 T520 V549 L550 V553 I563 H576 S577 S582 R583 L584	L500-L580 HydrophobicContact CD1-CD2 3.73Å; T520-L580 HydrophobicContact CG2-CB 3.87Å; T520-L580 HydrophobicContact CG2-CD2 3.8Å; T520-L580 HydrophobicContact CG2-CG 4.38Å; V549-L580 HydrophobicContact CG1-CD1 4.25Å; L550-L580 HydrophobicContact CD2-CB 3.9Å; L550-L580 HydrophobicContact CD2-CD1 4.19Å; V553-L580 HydrophobicContact CG2-CD1 3.85Å; I563-L580 HydrophobicContact CD1-CD2 3.73Å; I563-L580 HydrophobicContact CD1-CG 4.32Å; H576-L580 PolarHBondContact O-N 2.9Å; S577-L580 PolarHBondContact O-N 2.97Å; L580-S582 VanDerWaalsContact C-N 3.32Å; L580-S582 PolarHBondContact O-N 3.24Å; L580-R583 PolarHBondContact O-N 2.75Å; L580-R583 VanDerWaalsContact O-N 3.11Å; L580-L584 HydrophobicContact CD1-CD1 4.09Å; L580-L584 HydrophobicContact CD1-CG 4.09Å; L580-L584 HydrophobicContact CD2-CD1 4.44Å; L580-L584 HydrophobicContact CG-CD1 3.79Å; L580-L584 HydrophobicContact CG-CG 4.28Å; L580-L584 WeakPolarHBondContact O-CG 3.45Å; L580-L584 PolarHBondContact O-N 2.85Å
581	L	97.8	Very high	97	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-43.9	177.5	-69.2	168.2	0	0	0	111.3	I563 S577 A578 R583 L584 V585 Y591 L593	I563-L581 HydrophobicContact CD1-CD2 4.05Å; S577-L581 WeakPolarHBondContact O-CB 3.48Å; S577-L581 WeakPolarHBondContact O-CG 3.27Å; S577-L581 PolarHBondContact O-N 2.77Å; A578-L581 PolarHBondContact O-N 3.16Å; L581-R583 VanDerWaalsContact C-N 3.28Å; L581-R583 PolarHBondContact O-N 2.8Å; L581-L584 PolarHBondContact O-N 3.44Å; L581-V585 WeakPolarHBondContact O-CG2 3.32Å; L581-V585 PolarHBondContact O-N 3.17Å; L581-Y591 HydrophobicContact CD2-CD2 3.64Å; L581-Y591 HydrophobicContact CD2-CE1 4.22Å; L581-Y591 HydrophobicContact CD2-CE2 3.16Å; L581-Y591 HydrophobicContact CD2-CG 4.35Å; L581-Y591 VanDerWaalsContact CD2-CZ 3.48Å; L581-L593 HydrophobicContact CD1-CD1 4.1Å; L581-L593 HydrophobicContact CD1-CD2 3.78Å; L581-L593 HydrophobicContact CD2-CD1 4.31Å; L581-L593 HydrophobicContact CD2-CD2 4.29Å
582	S	97.7	Very high	97.1	Very high	55 Å²	55	50.2 Å²	50.2	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-39.8	175.5	-179.3	0	0	0	0	112.3	A578 E579 L580 K586	A578-S582 WeakPolarHBondContact O-CB 3.44Å; A578-S582 PolarHBondContact O-N 3.2Å; E579-S582 PolarHBondContact O-N 2.79Å; L580-S582 VanDerWaalsContact C-N 3.32Å; L580-S582 PolarHBondContact O-N 3.24Å; S582-K586 WeakPolarHBondContact O-CG 3.45Å; S582-K586 PolarHBondContact O-N 3.33Å
583	R	97.4	Very high	97.2	Very high	107 Å²	107	53.4 Å²	53.4	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-74.5	-39.2	177	-63.3	-68	176.5	150.4	3.8	112.6	L550 V553 E579 L580 L581 V585 K586 V587	L550-R583 HydrophobicContact CD2-CG 4.48Å; V553-R583 HydrophobicContact CB-CB 4.28Å; V553-R583 HydrophobicContact CG1-CB 4.03Å; V553-R583 HydrophobicContact CG2-CB 3.9Å; E579-R583 WeakPolarHBondContact O-CG 2.74Å; E579-R583 PolarHBondContact O-N 3.46Å; E579-R583 VanDerWaalsContact O-N 3.16Å; L580-R583 PolarHBondContact O-N 2.75Å; L580-R583 VanDerWaalsContact O-N 3.11Å; L581-R583 VanDerWaalsContact C-N 3.28Å; L581-R583 PolarHBondContact O-N 2.8Å; R583-V585 VanDerWaalsContact C-N 3.34Å; R583-V585 PolarHBondContact O-N 3.21Å; R583-K586 WeakPolarHBondContact O-CB 3.43Å; R583-K586 PolarHBondContact O-N 3.11Å; R583-V587 PolarHBondContact O-N 2.79Å
584	L	97.3	Very high	97.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-43.1	177.1	-74.2	167.6	0	0	0	111.6	V553 L556 F561 I563 L580 L581 K586 V587 E588 A589 Y591	V553-L584 HydrophobicContact CG1-CD2 3.6Å; V553-L584 HydrophobicContact CG1-CG 3.96Å; L556-L584 HydrophobicContact CB-CD2 4.27Å; F561-L584 HydrophobicContact CE1-CD2 4.42Å; F561-L584 HydrophobicContact CE2-CD1 3.81Å; F561-L584 HydrophobicContact CZ-CD1 3.63Å; F561-L584 HydrophobicContact CZ-CD2 3.66Å; F561-L584 HydrophobicContact CZ-CG 4.32Å; I563-L584 HydrophobicContact CD1-CD1 4.18Å; L580-L584 HydrophobicContact CD1-CD1 4.09Å; L580-L584 HydrophobicContact CD1-CG 4.09Å; L580-L584 HydrophobicContact CD2-CD1 4.44Å; L580-L584 HydrophobicContact CG-CD1 3.79Å; L580-L584 HydrophobicContact CG-CG 4.28Å; L580-L584 WeakPolarHBondContact O-CG 3.45Å; L580-L584 PolarHBondContact O-N 2.85Å; L581-L584 PolarHBondContact O-N 3.44Å; L584-K586 VanDerWaalsContact C-N 3.32Å; L584-K586 PolarHBondContact O-N 2.77Å; L584-V587 VanDerWaalsContact O-CG2 3.3Å; L584-V587 WeakPolarHBondContact O-CG2 3.34Å; L584-V587 PolarHBondContact O-N 3.17Å; L584-E588 PolarHBondContact O-N 3.38Å; L584-E588 VanDerWaalsContact O-N 3.1Å; L584-A589 HydrophobicContact CB-CB 4.23Å; L584-A589 HydrophobicContact CD2-CB 3.49Å; L584-A589 VanDerWaalsContact CD2-CB 3.49Å; L584-A589 HydrophobicContact CG-CB 4.49Å; L584-A589 PolarHBondContact O-N 2.82Å; L584-Y591 HydrophobicContact CB-CD1 3.95Å; L584-Y591 HydrophobicContact CB-CE1 4.08Å; L584-Y591 HydrophobicContact CD1-CD1 4.01Å; L584-Y591 HydrophobicContact CD1-CG 4.21Å
585	V	97.1	Very high	97.2	Very high	88 Å²	88	56 Å²	56	53%	0.533	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-40.4	175.5	172.1	0	0	0	0	111.3	L581 R583 V587 E588 Y591	L581-V585 WeakPolarHBondContact O-CG2 3.32Å; L581-V585 PolarHBondContact O-N 3.17Å; R583-V585 VanDerWaalsContact C-N 3.34Å; R583-V585 PolarHBondContact O-N 3.21Å; V585-V587 PolarHBondContact O-N 2.96Å; V585-E588 PolarHBondContact O-N 2.98Å; V585-Y591 HydrophobicContact CG2-CE1 4.21Å
586	K	96.6	Very high	97.2	Very high	142 Å²	142	54.1 Å²	54.1	62%	0.617	28%	0.278	S	S	*	.	H	α-helix	trans	-63.6	-28.1	178.8	-75.2	174	-176.5	179.5	0	113.9	S582 R583 L584	S582-K586 WeakPolarHBondContact O-CG 3.45Å; S582-K586 PolarHBondContact O-N 3.33Å; R583-K586 WeakPolarHBondContact O-CB 3.43Å; R583-K586 PolarHBondContact O-N 3.11Å; L584-K586 VanDerWaalsContact C-N 3.32Å; L584-K586 PolarHBondContact O-N 2.77Å
587	V	96.8	Very high	97.1	Very high	28 Å²	28	57.5 Å²	57.5	17%	0.17	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	2.1	179.6	-52.8	0	0	0	0	112.5	V553 N554 K557 R583 L584 V585 A589	V553-V587 HydrophobicContact CG1-CG1 4.42Å; V553-V587 HydrophobicContact CG1-CG2 3.75Å; N554-V587 WeakPolarHBondContact OD1-CG1 3.25Å; K557-V587 WeakPolarHBondContact CD-O 3.38Å; K557-V587 WeakPolarHBondContact CE-O 3.26Å; K557-V587 PolarHBondContact NZ-O 2.77Å; R583-V587 PolarHBondContact O-N 2.79Å; L584-V587 VanDerWaalsContact O-CG2 3.3Å; L584-V587 WeakPolarHBondContact O-CG2 3.34Å; L584-V587 PolarHBondContact O-N 3.17Å; V585-V587 PolarHBondContact O-N 2.96Å; V587-A589 VanDerWaalsContact C-N 3.28Å; V587-A589 HydrophobicContact CG2-CB 3.75Å; V587-A589 PolarHBondContact O-N 2.78Å
588	E	96.4	Very high	96.9	Very high	152 Å²	152	59.4 Å²	59.4	71%	0.71	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	39	-177.7	-53.6	172.6	153.8	0	0	112.4	L584 V585	L584-E588 PolarHBondContact O-N 3.38Å; L584-E588 VanDerWaalsContact O-N 3.1Å; V585-E588 PolarHBondContact O-N 2.98Å
589	A	95.3	Very high	96.9	Very high	9 Å²	9	58.4 Å²	58.4	7%	0.074	30%	0.299	C	S	.	.			trans	-77.8	142.4	176.5	0	0	0	0	0	111.5	K557 L584 V587	K557-A589 HydrophobicContact CB-CB 4.47Å; L584-A589 HydrophobicContact CB-CB 4.23Å; L584-A589 HydrophobicContact CD2-CB 3.49Å; L584-A589 VanDerWaalsContact CD2-CB 3.49Å; L584-A589 HydrophobicContact CG-CB 4.49Å; L584-A589 PolarHBondContact O-N 2.82Å; V587-A589 VanDerWaalsContact C-N 3.28Å; V587-A589 HydrophobicContact CG2-CB 3.75Å; V587-A589 PolarHBondContact O-N 2.78Å
590	N	92.4	Very high	96.8	Very high	117 Å²	117	56.3 Å²	56.3	63%	0.626	29%	0.294	S	S	*	.			trans	-79.6	133.6	173.1	-68.7	-45.6	0	0	0	110.5	K557	K557-N590 PolarHBondContact O-N 2.95Å
591	Y	96	Very high	96.7	Very high	80 Å²	80	57.8 Å²	57.8	31%	0.314	30%	0.301	S	S	.	.			trans	-151.4	155.5	173.8	65.5	-91.3	0	0	0	111.1	L581 L584 V585 L593	L581-Y591 HydrophobicContact CD2-CD2 3.64Å; L581-Y591 HydrophobicContact CD2-CE1 4.22Å; L581-Y591 HydrophobicContact CD2-CE2 3.16Å; L581-Y591 HydrophobicContact CD2-CG 4.35Å; L581-Y591 VanDerWaalsContact CD2-CZ 3.48Å; L584-Y591 HydrophobicContact CB-CD1 3.95Å; L584-Y591 HydrophobicContact CB-CE1 4.08Å; L584-Y591 HydrophobicContact CD1-CD1 4.01Å; L584-Y591 HydrophobicContact CD1-CG 4.21Å; V585-Y591 HydrophobicContact CG2-CE1 4.21Å; Y591-L593 HydrophobicContact CD2-CB 4.26Å; Y591-L593 HydrophobicContact CE2-CB 4.11Å
592	S	97.4	Very high	96.5	Very high	49 Å²	49	61.4 Å²	61.4	34%	0.343	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.5	167.3	-66.5	0	0	0	0	110.1	F561 L562 I563	F561-S592 PolarHBondContact O-N 2.93Å; L562-S592 WeakPolarHBondContact CA-O 3.29Å; I563-S592 PolarHBondContact N-O 3.27Å
593	L	98	Very high	96.3	Very high	67 Å²	67	60.1 Å²	60.1	35%	0.351	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.2	-179.8	-177.3	66	0	0	0	110.8	I563 L581 Y591 L595	I563-L593 HydrophobicContact CB-CD1 3.87Å; I563-L593 HydrophobicContact CG2-CD1 3.81Å; I563-L593 CarbonylContact O-C 3.49Å; I563-L593 WeakPolarHBondContact O-CA 3.33Å; L581-L593 HydrophobicContact CD1-CD1 4.1Å; L581-L593 HydrophobicContact CD1-CD2 3.78Å; L581-L593 HydrophobicContact CD2-CD1 4.31Å; L581-L593 HydrophobicContact CD2-CD2 4.29Å; Y591-L593 HydrophobicContact CD2-CB 4.26Å; Y591-L593 HydrophobicContact CE2-CB 4.11Å; L593-L595 HydrophobicContact CD1-CD2 3.75Å; L593-L595 HydrophobicContact CD1-CG 4.3Å; L593-L595 HydrophobicContact CD2-CD1 4.16Å; L593-L595 HydrophobicContact CD2-CD2 4.22Å; L593-L595 HydrophobicContact CD2-CG 4.04Å; L593-L595 HydrophobicContact CG-CD2 4.04Å; L593-L595 HydrophobicContact CG-CG 4.02Å
594	Q	98.3	Very high	96	Very high	53 Å²	53	63.9 Å²	63.9	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.1	168.3	-179.9	67.4	56.1	0	0	109.5	L562 I563 V564 H565 Y596 T615	L562-Q594 HydrophobicContact CD1-CB 4.35Å; I563-Q594 PolarHBondContact O-N 3.44Å; V564-Q594 VanDerWaalsContact CA-O 3.28Å; V564-Q594 WeakPolarHBondContact CA-O 3.43Å; V564-Q594 HydrophobicContact CG1-CB 4.31Å; V564-Q594 HydrophobicContact CG1-CG 4.4Å; V564-Q594 HydrophobicContact CG2-CB 4.27Å; H565-Q594 PolarHBondContact N-O 2.81Å; Q594-Y596 HydrophobicContact CG-CE2 3.74Å; Q594-T615 HydrophobicContact CB-CG2 4.45Å; Q594-T615 HydrophobicContact CG-CG2 4.29Å
595	L	97.9	Very high	95.8	Very high	56 Å²	56	68.7 Å²	68.7	29%	0.293	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.1	173.9	-58.8	-177.9	0	0	0	111	H565 T567 F574 L593	H565-L595 HydrophobicContact CB-CD2 4.11Å; H565-L595 WeakPolarHBondContact O-CA 3.33Å; T567-L595 HydrophobicContact CG2-CB 4.37Å; F574-L595 HydrophobicContact CD2-CD2 4.32Å; F574-L595 HydrophobicContact CE2-CD1 4.3Å; F574-L595 HydrophobicContact CE2-CD2 3.51Å; F574-L595 HydrophobicContact CZ-CD1 4.08Å; F574-L595 HydrophobicContact CZ-CD2 4.13Å; L593-L595 HydrophobicContact CD1-CD2 3.75Å; L593-L595 HydrophobicContact CD1-CG 4.3Å; L593-L595 HydrophobicContact CD2-CD1 4.16Å; L593-L595 HydrophobicContact CD2-CD2 4.22Å; L593-L595 HydrophobicContact CD2-CG 4.04Å; L593-L595 HydrophobicContact CG-CD2 4.04Å; L593-L595 HydrophobicContact CG-CG 4.02Å
596	Y	97.9	Very high	95.7	Very high	10 Å²	10	69.2 Å²	69.2	4%	0.039	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	101.5	168.7	-69.2	-82	0	0	0	108.9	V564 H565 G566 T567 Q594 D598 E599 L603 H611 F612	V564-Y596 HydrophobicContact CG1-CD2 4Å; V564-Y596 HydrophobicContact CG1-CE2 3.55Å; H565-Y596 PolarHBondContact O-N 2.92Å; G566-Y596 WeakPolarHBondContact CA-O 3.4Å; T567-Y596 PolarHBondContact N-O 3.14Å; Q594-Y596 HydrophobicContact CG-CE2 3.74Å; Y596-D598 PolarHBondContact O-N 2.99Å; Y596-E599 PolarHBondContact O-N 3.02Å; Y596-L603 HydrophobicContact CD2-CD1 4.12Å; Y596-L603 HydrophobicContact CD2-CD2 4.14Å; Y596-L603 HydrophobicContact CE2-CD1 4.16Å; Y596-L603 HydrophobicContact CG-CD1 4.39Å; Y596-L603 HydrophobicContact CG-CD2 4.11Å; Y596-H611 HydrophobicContact CE1-CB 4.31Å; Y596-H611 AromaticContact CE1-ND1 3.57Å; Y596-H611 AromaticContact CZ-ND1 3.61Å; Y596-H611 PolarHBondContact OH-ND1 2.85Å; Y596-F612 HydrophobicContact CE2-CB 4.13Å; Y596-F612 HydrophobicContact CE2-CD2 4.19Å; Y596-F612 WeakPolarHBondContact OH-CA 3.3Å; Y596-F612 PolarHBondContact OH-N 3.29Å; Y596-F612 VanDerWaalsContact OH-N 3.11Å
597	P	96.1	Very high	95.6	Very high	71 Å²	71	72.1 Å²	72.1	46%	0.461	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	133.1	178.3	-25.4	35.2	0	0	0	111.7	L115 T567 E599	L115-P597 HydrophobicContact CD1-CB 4.35Å; L115-P597 HydrophobicContact CG-CB 4.42Å; T567-P597 WeakPolarHBondContact OG1-CA 3.24Å; P597-E599 PolarHBondContact O-N 2.67Å
598	D	95.4	Very high	95.6	Very high	41 Å²	41	71.9 Å²	71.9	22%	0.219	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	14.9	176.9	-59.6	2.5	0	0	0	115.6	H113 F114 L115 T567 Y596	H113-D598 WeakPolarHBondContact CA-OD1 3.44Å; F114-D598 PolarHBondContact N-OD1 2.85Å; F114-D598 PolarHBondContact N-OD2 3.08Å; F114-D598 VanDerWaalsContact N-OD2 3.13Å; L115-D598 WeakPolarHBondContact CA-OD2 3.42Å; L115-D598 WeakPolarHBondContact CB-OD2 3.39Å; L115-D598 HydrophobicContact CD1-CB 4.16Å; L115-D598 HydrophobicContact CG-CB 4.33Å; L115-D598 WeakPolarHBondContact CG-OD2 3.5Å; L115-D598 PolarHBondContact N-OD2 3.42Å; T567-D598 PolarHBondContact OG1-N 3.13Å; Y596-D598 PolarHBondContact O-N 2.99Å
599	E	97	Very high	95.6	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.079	33%	0.333	C	S	.	.			trans	-90.7	147.2	169.9	-73.1	-75.9	-171.5	0	0	111.5	G566 T567 A568 D569 Y596 P597 L603 R604 E605 S608	G566-E599 CarbonylContact C-O 3.58Å; G566-E599 VanDerWaalsContact C-O 3.26Å; G566-E599 WeakPolarHBondContact CA-O 3.48Å; T567-E599 PolarHBondContact N-O 3.12Å; A568-E599 CarbonylContact C-O 3.57Å; A568-E599 VanDerWaalsContact C-O 3.31Å; A568-E599 WeakPolarHBondContact CA-O 3.34Å; A568-E599 PolarHBondContact N-O 2.93Å; D569-E599 PolarHBondContact N-O 2.87Å; Y596-E599 PolarHBondContact O-N 3.02Å; P597-E599 PolarHBondContact O-N 2.67Å; E599-L603 HydrophobicContact CB-CD2 3.54Å; E599-L603 HydrophobicContact CG-CD2 4.02Å; E599-L603 VanDerWaalsContact OE2-CA 3.31Å; E599-L603 WeakPolarHBondContact OE2-CA 3.48Å; E599-R604 PolarHBondContact OE2-N 2.89Å; E599-E605 WeakPolarHBondContact OE1-CB 3.32Å; E599-E605 PolarHBondContact OE1-N 3.38Å; E599-E605 VanDerWaalsContact OE1-N 3.13Å; E599-S608 WeakPolarHBondContact OE1-CB 3.47Å; E599-S608 PolarHBondContact OE1-OG 2.91Å
600	G	95.4	Very high	95.6	Very high	21 Å²	21	72.8 Å²	72.8	22%	0.216	35%	0.354	C	S	.	.			trans	-91	-166.2	179.6	0	0	0	0	0	114.3	A568 V602	A568-G600 WeakPolarHBondContact O-CA 3.33Å; G600-V602 VanDerWaalsContact C-N 3.25Å; G600-V602 PolarHBondContact O-N 2.89Å
601	H	95.6	Very high	95.9	Very high	32 Å²	32	71.4 Å²	71.4	15%	0.148	34%	0.344	C	S	.	.	S	Bend	trans	-57	-40	176.5	-163	62.4	0	0	0	113.3	K492 D569 R571	K492-H601 WeakPolarHBondContact CE-NE2 3.35Å; K492-H601 WeakPolarHBondContact CE-O 3.09Å; K492-H601 PolarHBondContact NZ-O 2.86Å; D569-H601 VanDerWaalsContact CG-CA 3.48Å; D569-H601 VanDerWaalsContact OD1-CB 3.24Å; D569-H601 WeakPolarHBondContact OD1-CB 3.27Å; D569-H601 IonicContact OD1-CG 3.99Å; D569-H601 IonicContact OD1-ND1 3.57Å; D569-H601 PolarHBondContact OD1-ND1 2.91Å; D569-H601 WeakPolarHBondContact OD2-CA 3.44Å; D569-H601 WeakPolarHBondContact OD2-CB 3.28Å; D569-H601 IonicContact OD2-CE1 3.43Å; D569-H601 IonicContact OD2-CG 3.04Å; D569-H601 IonicContact OD2-ND1 3.16Å; D569-H601 PolarHBondContact OD2-ND1 2.85Å; R571-H601 HydrophobicContact CB-CB 3.93Å
602	V	93.8	Very high	96	Very high	94 Å²	94	68.9 Å²	68.9	57%	0.57	34%	0.335	S	S	*	.	S	Bend	trans	-105.2	115.1	169.2	-179.5	0	0	0	0	106.1	G600 R604	G600-V602 VanDerWaalsContact C-N 3.25Å; G600-V602 PolarHBondContact O-N 2.89Å; V602-R604 PolarHBondContact O-N 2.83Å
603	L	93.8	Very high	95.9	Very high	29 Å²	29	70 Å²	70	15%	0.152	34%	0.335	C	S	.	.			trans	-61.7	127.8	175.4	-52.3	-179.8	0	0	0	108.7	Y596 E599 V609 F612	Y596-L603 HydrophobicContact CD2-CD1 4.12Å; Y596-L603 HydrophobicContact CD2-CD2 4.14Å; Y596-L603 HydrophobicContact CE2-CD1 4.16Å; Y596-L603 HydrophobicContact CG-CD1 4.39Å; Y596-L603 HydrophobicContact CG-CD2 4.11Å; E599-L603 HydrophobicContact CB-CD2 3.54Å; E599-L603 HydrophobicContact CG-CD2 4.02Å; E599-L603 VanDerWaalsContact OE2-CA 3.31Å; E599-L603 WeakPolarHBondContact OE2-CA 3.48Å; L603-V609 HydrophobicContact CB-CG2 3.87Å; L603-V609 VanDerWaalsContact O-CG2 3.26Å; L603-V609 WeakPolarHBondContact O-CG2 3.43Å; L603-F612 HydrophobicContact CD1-CB 3.44Å; L603-F612 VanDerWaalsContact CD1-CB 3.44Å; L603-F612 HydrophobicContact CD1-CD1 4.2Å; L603-F612 HydrophobicContact CD1-CD2 4.12Å; L603-F612 HydrophobicContact CD1-CG 3.65Å
604	R	91.3	Very high	95.8	Very high	185 Å²	185	75.2 Å²	75.2	70%	0.698	35%	0.35	S	S	*	.			trans	-103.6	-38.8	-175	-69.9	-175.3	175.1	168.7	1.2	112.4	E599 V602 L606	E599-R604 PolarHBondContact OE2-N 2.89Å; V602-R604 PolarHBondContact O-N 2.83Å; R604-L606 PolarHBondContact O-N 3.12Å
605	E	93.8	Very high	95.7	Very high	102 Å²	102	74 Å²	74	48%	0.477	35%	0.346	S	S	.	.	S	Bend	trans	-67.7	128.6	-178.6	-178.2	51.3	-140.5	0	0	109.8	E599 R607 S608 V609	E599-E605 WeakPolarHBondContact OE1-CB 3.32Å; E599-E605 PolarHBondContact OE1-N 3.38Å; E599-E605 VanDerWaalsContact OE1-N 3.13Å; E605-R607 HydrophobicContact CG-CB 4.27Å; E605-R607 PolarHBondContact O-N 3Å; E605-R607 VanDerWaalsContact O-N 3.14Å; E605-S608 WeakPolarHBondContact O-CB 3.44Å; E605-S608 PolarHBondContact O-N 3.06Å; E605-V609 WeakPolarHBondContact O-CG2 3.42Å; E605-V609 PolarHBondContact O-N 3.27Å
606	L	94.4	Very high	95.7	Very high	98 Å²	98	71.3 Å²	71.3	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-59.2	-34.2	-174.5	-179	62	0	0	0	111.9	R604 R610	R604-L606 PolarHBondContact O-N 3.12Å; L606-R610 WeakPolarHBondContact O-CB 3.33Å; L606-R610 VanDerWaalsContact O-CG 3.28Å; L606-R610 WeakPolarHBondContact O-CG 3.05Å; L606-R610 PolarHBondContact O-N 2.81Å; L606-R610 VanDerWaalsContact O-N 3.08Å
607	R	95.5	Very high	95.6	Very high	204 Å²	204	71.5 Å²	71.5	77%	0.77	33%	0.334	S	S	*	.	H	α-helix	trans	-67.9	-43.7	175.7	-65	-177.6	179.6	-175.3	1.6	111.7	E605 R610 H611	E605-R607 HydrophobicContact CG-CB 4.27Å; E605-R607 PolarHBondContact O-N 3Å; E605-R607 VanDerWaalsContact O-N 3.14Å; R607-R610 PolarHBondContact O-N 2.84Å; R607-H611 WeakPolarHBondContact O-CB 3.08Å; R607-H611 PolarHBondContact O-N 3.24Å
608	S	96.4	Very high	95.5	Very high	23 Å²	23	72.1 Å²	72.1	16%	0.161	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-46	175.5	-57.1	0	0	0	0	111.3	E599 E605 R610 H611 F612	E599-S608 WeakPolarHBondContact OE1-CB 3.47Å; E599-S608 PolarHBondContact OE1-OG 2.91Å; E605-S608 WeakPolarHBondContact O-CB 3.44Å; E605-S608 PolarHBondContact O-N 3.06Å; S608-R610 PolarHBondContact O-N 2.04Å; S608-H611 PolarHBondContact O-N 3.27Å; S608-F612 VanDerWaalsContact O-CB 3.27Å; S608-F612 WeakPolarHBondContact O-CB 3.23Å; S608-F612 PolarHBondContact O-N 3.1Å
609	V	95.9	Very high	95.6	Very high	39 Å²	39	71.7 Å²	71.7	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-47.8	177.3	175.2	0	0	0	0	111.3	L603 E605 F612 Q613	L603-V609 HydrophobicContact CB-CG2 3.87Å; L603-V609 VanDerWaalsContact O-CG2 3.26Å; L603-V609 WeakPolarHBondContact O-CG2 3.43Å; E605-V609 WeakPolarHBondContact O-CG2 3.42Å; E605-V609 PolarHBondContact O-N 3.27Å; V609-F612 PolarHBondContact O-N 2.87Å; V609-Q613 VanDerWaalsContact O-CG 3.29Å; V609-Q613 WeakPolarHBondContact O-CG 3.37Å; V609-Q613 PolarHBondContact O-N 3.2Å
610	R	96.1	Very high	95.5	Very high	140 Å²	140	70.9 Å²	70.9	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-41.1	178.8	-74	173.2	177.4	176.9	0.5	112.1	L606 R607 S608 R614	L606-R610 WeakPolarHBondContact O-CB 3.33Å; L606-R610 VanDerWaalsContact O-CG 3.28Å; L606-R610 WeakPolarHBondContact O-CG 3.05Å; L606-R610 PolarHBondContact O-N 2.81Å; L606-R610 VanDerWaalsContact O-N 3.08Å; R607-R610 PolarHBondContact O-N 2.84Å; S608-R610 PolarHBondContact O-N 2.04Å; R610-R614 VanDerWaalsContact O-CG 3.31Å; R610-R614 WeakPolarHBondContact O-CG 3.44Å; R610-R614 PolarHBondContact O-N 2.74Å; R610-R614 VanDerWaalsContact O-N 3.11Å
611	H	97.8	Very high	95.4	Very high	88 Å²	88	72.3 Å²	72.3	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-48.5	176	-176.3	-92.1	0	0	0	110.4	Y596 R607 S608 Q613 R614 T615	Y596-H611 HydrophobicContact CE1-CB 4.31Å; Y596-H611 AromaticContact CE1-ND1 3.57Å; Y596-H611 AromaticContact CZ-ND1 3.61Å; Y596-H611 PolarHBondContact OH-ND1 2.85Å; R607-H611 WeakPolarHBondContact O-CB 3.08Å; R607-H611 PolarHBondContact O-N 3.24Å; S608-H611 PolarHBondContact O-N 3.27Å; H611-Q613 PolarHBondContact O-N 3.06Å; H611-R614 CarbonylContact O-C 3.57Å; H611-R614 WeakPolarHBondContact O-CB 3.15Å; H611-R614 PolarHBondContact O-N 3.26Å; H611-R614 VanDerWaalsContact O-N 3.1Å; H611-T615 PolarHBondContact CE1-OG1 3.02Å; H611-T615 VanDerWaalsContact CE1-OG1 3.3Å; H611-T615 PolarHBondContact ND1-OG1 3.36Å; H611-T615 PolarHBondContact O-N 2.91Å; H611-T615 PolarHBondContact O-OG1 2.74Å
612	F	97.4	Very high	95.3	Very high	28 Å²	28	75.2 Å²	75.2	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-52.9	-51.3	175.8	167.3	-104.1	0	0	0	113.1	V516 V564 Y596 L603 S608 V609 R614 T615 V616	V516-F612 HydrophobicContact CG1-CE2 4Å; V516-F612 HydrophobicContact CG1-CZ 4.22Å; V516-F612 HydrophobicContact CG2-CE2 3.8Å; V516-F612 HydrophobicContact CG2-CZ 3.95Å; V564-F612 HydrophobicContact CB-CE2 4.4Å; V564-F612 HydrophobicContact CG1-CD2 3.84Å; V564-F612 HydrophobicContact CG1-CE2 3.95Å; Y596-F612 HydrophobicContact CE2-CB 4.13Å; Y596-F612 HydrophobicContact CE2-CD2 4.19Å; Y596-F612 WeakPolarHBondContact OH-CA 3.3Å; Y596-F612 PolarHBondContact OH-N 3.29Å; Y596-F612 VanDerWaalsContact OH-N 3.11Å; L603-F612 HydrophobicContact CD1-CB 3.44Å; L603-F612 VanDerWaalsContact CD1-CB 3.44Å; L603-F612 HydrophobicContact CD1-CD1 4.2Å; L603-F612 HydrophobicContact CD1-CD2 4.12Å; L603-F612 HydrophobicContact CD1-CG 3.65Å; S608-F612 VanDerWaalsContact O-CB 3.27Å; S608-F612 WeakPolarHBondContact O-CB 3.23Å; S608-F612 PolarHBondContact O-N 3.1Å; V609-F612 PolarHBondContact O-N 2.87Å; F612-R614 VanDerWaalsContact C-N 3.3Å; F612-R614 PolarHBondContact O-N 2.68Å; F612-T615 PolarHBondContact O-N 3.29Å; F612-V616 HydrophobicContact CD2-CG2 3.97Å; F612-V616 HydrophobicContact CE2-CG2 3.53Å; F612-V616 HydrophobicContact CZ-CG2 3.84Å; F612-V616 WeakPolarHBondContact O-CG2 3.3Å; F612-V616 PolarHBondContact O-N 3.08Å
613	Q	95.9	Very high	95.3	Very high	73 Å²	73	71.3 Å²	71.3	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-42.8	178.5	-70.3	171.8	-10.3	0	0	111.4	W427 V609 H611 V617	W427-Q613 HydrophobicContact CB-CB 4.14Å; W427-Q613 HydrophobicContact CB-CG 4.12Å; W427-Q613 HydrophobicContact CG-CG 4.43Å; V609-Q613 VanDerWaalsContact O-CG 3.29Å; V609-Q613 WeakPolarHBondContact O-CG 3.37Å; V609-Q613 PolarHBondContact O-N 3.2Å; H611-Q613 PolarHBondContact O-N 3.06Å; Q613-V617 WeakPolarHBondContact O-CB 3.49Å; Q613-V617 WeakPolarHBondContact O-CG2 3.22Å; Q613-V617 PolarHBondContact O-N 3.32Å
614	R	95.9	Very high	95.2	Very high	175 Å²	175	70.2 Å²	70.2	66%	0.66	31%	0.314	S	S	*	.	H	α-helix	trans	-64.8	-44.5	176.1	-72.3	173	177.8	-174.1	-1.8	112.1	R610 H611 F612 V617 N618	R610-R614 VanDerWaalsContact O-CG 3.31Å; R610-R614 WeakPolarHBondContact O-CG 3.44Å; R610-R614 PolarHBondContact O-N 2.74Å; R610-R614 VanDerWaalsContact O-N 3.11Å; H611-R614 CarbonylContact O-C 3.57Å; H611-R614 WeakPolarHBondContact O-CB 3.15Å; H611-R614 PolarHBondContact O-N 3.26Å; H611-R614 VanDerWaalsContact O-N 3.1Å; F612-R614 VanDerWaalsContact C-N 3.3Å; F612-R614 PolarHBondContact O-N 2.68Å; R614-V617 PolarHBondContact O-N 3.06Å; R614-N618 WeakPolarHBondContact O-CB 3.47Å; R614-N618 PolarHBondContact O-N 2.97Å; R614-N618 PolarHBondContact O-ND2 2.63Å
615	T	97	Very high	95	Very high	27 Å²	27	66.7 Å²	66.7	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-48.8	178.7	-57.8	0	0	0	0	111	L562 Q594 H611 F612 N618 Y619	L562-T615 HydrophobicContact CD2-CG2 4.31Å; Q594-T615 HydrophobicContact CB-CG2 4.45Å; Q594-T615 HydrophobicContact CG-CG2 4.29Å; H611-T615 PolarHBondContact CE1-OG1 3.02Å; H611-T615 VanDerWaalsContact CE1-OG1 3.3Å; H611-T615 PolarHBondContact ND1-OG1 3.36Å; H611-T615 PolarHBondContact O-N 2.91Å; H611-T615 PolarHBondContact O-OG1 2.74Å; F612-T615 PolarHBondContact O-N 3.29Å; T615-N618 PolarHBondContact O-N 2.99Å; T615-Y619 VanDerWaalsContact O-CB 3.25Å; T615-Y619 WeakPolarHBondContact O-CB 3.33Å; T615-Y619 PolarHBondContact O-N 2.99Å
616	V	96.6	Very high	93.7	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-46.4	-179.6	173.4	0	0	0	0	111.1	W427 F490 F612 N618 Y619 L620	W427-V616 HydrophobicContact CD2-CG1 4.27Å; W427-V616 HydrophobicContact CE3-CG1 4.05Å; W427-V616 HydrophobicContact CH2-CG1 3.69Å; W427-V616 HydrophobicContact CZ2-CG1 3.92Å; W427-V616 HydrophobicContact CZ3-CG1 3.76Å; F490-V616 HydrophobicContact CD2-CG1 3.97Å; F490-V616 HydrophobicContact CE2-CG1 3.93Å; F490-V616 HydrophobicContact CE2-CG2 4.43Å; F612-V616 HydrophobicContact CD2-CG2 3.97Å; F612-V616 HydrophobicContact CE2-CG2 3.53Å; F612-V616 HydrophobicContact CZ-CG2 3.84Å; F612-V616 WeakPolarHBondContact O-CG2 3.3Å; F612-V616 PolarHBondContact O-N 3.08Å; V616-N618 PolarHBondContact O-N 3.36Å; V616-Y619 PolarHBondContact O-N 3.49Å; V616-L620 HydrophobicContact CG1-CD1 3.66Å; V616-L620 HydrophobicContact CG1-CG 4.35Å; V616-L620 WeakPolarHBondContact O-CB 3.39Å; V616-L620 VanDerWaalsContact O-CG 3.31Å; V616-L620 WeakPolarHBondContact O-CG 3.5Å; V616-L620 PolarHBondContact O-N 2.8Å
617	V	95.9	Very high	91.8	Very high	15 Å²	15	65 Å²	65	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-47.3	177.3	169.2	0	0	0	0	111	W427 L431 Q613 R614 Q621	W427-V617 HydrophobicContact CB-CG2 4.03Å; W427-V617 HydrophobicContact CE3-CG2 3.93Å; L431-V617 HydrophobicContact CD1-CG1 4.18Å; Q613-V617 WeakPolarHBondContact O-CB 3.49Å; Q613-V617 WeakPolarHBondContact O-CG2 3.22Å; Q613-V617 PolarHBondContact O-N 3.32Å; R614-V617 PolarHBondContact O-N 3.06Å; V617-Q621 WeakPolarHBondContact O-CB 3.37Å; V617-Q621 PolarHBondContact O-N 3.22Å
618	N	95.4	Very high	89.2	Confident	84 Å²	84	59.4 Å²	59.4	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-64.5	-41.8	180	-71.8	-14.5	0	0	0	112.2	R614 T615 V616 N622	R614-N618 WeakPolarHBondContact O-CB 3.47Å; R614-N618 PolarHBondContact O-N 2.97Å; R614-N618 PolarHBondContact O-ND2 2.63Å; T615-N618 PolarHBondContact O-N 2.99Å; V616-N618 PolarHBondContact O-N 3.36Å; N618-N622 WeakPolarHBondContact O-CB 3.26Å; N618-N622 VanDerWaalsContact O-CG 3.27Å; N618-N622 PolarHBondContact O-N 2.92Å; N618-N622 PolarHBondContact O-ND2 3.13Å
619	Y	96.5	Very high	86.6	Confident	32 Å²	32	66 Å²	66	13%	0.125	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-52.8	177.9	177	-98.8	0	0	0	111	C512 A513 A514 N560 F561 L562 T615 V616 Q621 N622 C623	C512-Y619 HydrophobicContact CB-CE1 4.23Å; A513-Y619 WeakPolarHBondContact O-CE1 3.47Å; A514-Y619 HydrophobicContact CB-CD1 4.31Å; A514-Y619 HydrophobicContact CB-CE1 4.41Å; N560-Y619 PolarHBondContact O-OH 3.13Å; N560-Y619 PolarHBondContact OD1-OH 2.78Å; F561-Y619 VanDerWaalsContact C-OH 3.28Å; F561-Y619 WeakPolarHBondContact CA-OH 3.22Å; F561-Y619 PolarHBondContact N-OH 3.18Å; L562-Y619 HydrophobicContact CB-CD1 3.79Å; L562-Y619 HydrophobicContact CB-CD2 3.98Å; L562-Y619 HydrophobicContact CB-CE1 3.58Å; L562-Y619 HydrophobicContact CB-CE2 3.79Å; L562-Y619 HydrophobicContact CB-CG 4Å; L562-Y619 HydrophobicContact CD2-CD1 3.94Å; L562-Y619 HydrophobicContact CD2-CD2 4.19Å; L562-Y619 HydrophobicContact CD2-CG 3.72Å; L562-Y619 HydrophobicContact CG-CG 4.44Å; L562-Y619 PolarHBondContact N-OH 2.76Å; T615-Y619 VanDerWaalsContact O-CB 3.25Å; T615-Y619 WeakPolarHBondContact O-CB 3.33Å; T615-Y619 PolarHBondContact O-N 2.99Å; V616-Y619 PolarHBondContact O-N 3.49Å; Y619-Q621 PolarHBondContact O-N 2.61Å; Y619-N622 PolarHBondContact O-N 2.96Å; Y619-C623 WeakPolarHBondContact O-CB 3.32Å; Y619-C623 PolarHBondContact O-N 3.14Å
620	L	95.9	Very high	84	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-41.4	-179.6	-68.5	171.9	0	0	0	111.7	L407 W427 L431 A488 A514 V616 N622 C623 L624	L407-L620 HydrophobicContact CD1-CD1 3.96Å; L407-L620 HydrophobicContact CD1-CD2 3.92Å; L407-L620 HydrophobicContact CD2-CD1 3.87Å; W427-L620 HydrophobicContact CH2-CD1 3.78Å; W427-L620 HydrophobicContact CZ3-CD1 3.58Å; L431-L620 HydrophobicContact CD2-CB 4.35Å; L431-L620 HydrophobicContact CD2-CD1 4.2Å; A488-L620 HydrophobicContact CB-CD2 3.98Å; A514-L620 HydrophobicContact CB-CD2 4.27Å; V616-L620 HydrophobicContact CG1-CD1 3.66Å; V616-L620 HydrophobicContact CG1-CG 4.35Å; V616-L620 WeakPolarHBondContact O-CB 3.39Å; V616-L620 VanDerWaalsContact O-CG 3.31Å; V616-L620 WeakPolarHBondContact O-CG 3.5Å; V616-L620 PolarHBondContact O-N 2.8Å; L620-N622 PolarHBondContact O-N 3.36Å; L620-C623 PolarHBondContact O-N 3.22Å; L620-L624 VanDerWaalsContact O-CB 3.29Å; L620-L624 WeakPolarHBondContact O-CB 3.25Å; L620-L624 VanDerWaalsContact O-CG 3.25Å; L620-L624 WeakPolarHBondContact O-CG 3.2Å; L620-L624 PolarHBondContact O-N 3.15Å
621	Q	93.5	Very high	81.3	Confident	50 Å²	50	69.1 Å²	69.1	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-60.8	-44.9	176	-176.2	-165.8	-9	0	0	111.5	H435 V617 Y619 K625	H435-Q621 PolarHBondContact CE1-NE2 2.86Å; H435-Q621 PolarHBondContact CE1-OE1 2.89Å; H435-Q621 PolarHBondContact ND1-NE2 3.35Å; H435-Q621 PolarHBondContact NE2-OE1 3.3Å; V617-Q621 WeakPolarHBondContact O-CB 3.37Å; V617-Q621 PolarHBondContact O-N 3.22Å; Y619-Q621 PolarHBondContact O-N 2.61Å; Q621-K625 WeakPolarHBondContact O-CG 3.45Å; Q621-K625 PolarHBondContact O-N 3.22Å
622	N	93.4	Very high	78.2	Confident	93 Å²	93	69 Å²	69	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-38.4	-178.6	-74.8	-26.6	0	0	0	112.3	N618 Y619 L620 K625	N618-N622 WeakPolarHBondContact O-CB 3.26Å; N618-N622 VanDerWaalsContact O-CG 3.27Å; N618-N622 PolarHBondContact O-N 2.92Å; N618-N622 PolarHBondContact O-ND2 3.13Å; Y619-N622 PolarHBondContact O-N 2.96Å; L620-N622 PolarHBondContact O-N 3.36Å; N622-K625 PolarHBondContact O-N 2.72Å; N622-K625 PolarHBondContact OD1-NZ 3.07Å
623	C	92.8	Very high	75.5	Confident	13 Å²	13	73.2 Å²	73.2	9%	0.088	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-47.2	173.1	161.3	0	0	0	0	111.5	Q511 C512 Y619 L620 K625	Q511-C623 PolarHBondContact NE2-O 3.13Å; Q511-C623 PolarHBondContact OE1-O 2.93Å; Q511-C623 VanDerWaalsContact OE1-O 3.14Å; C512-C623 HydrophobicContact CB-CB 3.88Å; C512-C623 WeakPolarHBondContact CB-SG 3.3Å; C512-C623 WeakPolarHBondContact SG-CB 3.39Å; C512-C623 CovalentContact SG-SG 2Å; C512-C623 PolarHBondContact SG-SG 2.88Å; Y619-C623 WeakPolarHBondContact O-CB 3.32Å; Y619-C623 PolarHBondContact O-N 3.14Å; L620-C623 PolarHBondContact O-N 3.22Å; C623-K625 PolarHBondContact O-N 2.96Å
624	L	92.7	Very high	72.8	Confident	6 Å²	6	78.6 Å²	78.6	3%	0.031	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	10.7	-177.1	-64.6	171.2	0	0	0	114	P405 V437 R486 A488 L620	P405-L624 HydrophobicContact CB-CB 4.02Å; P405-L624 HydrophobicContact CB-CD1 4.19Å; P405-L624 HydrophobicContact CB-CD2 4.03Å; P405-L624 HydrophobicContact CB-CG 4.31Å; P405-L624 HydrophobicContact CG-CB 4.37Å; V437-L624 HydrophobicContact CG1-CD1 3.94Å; V437-L624 HydrophobicContact CG2-CD1 4.31Å; R486-L624 HydrophobicContact CB-CD2 4.14Å; R486-L624 WeakPolarHBondContact CD-O 3.47Å; R486-L624 PolarHBondContact NH1-O 2.75Å; R486-L624 WeakPolarHBondContact O-CD2 3.37Å; A488-L624 HydrophobicContact CB-CD1 4.13Å; A488-L624 HydrophobicContact CB-CD2 3.76Å; A488-L624 HydrophobicContact CB-CG 4.09Å; L620-L624 VanDerWaalsContact O-CB 3.29Å; L620-L624 WeakPolarHBondContact O-CB 3.25Å; L620-L624 VanDerWaalsContact O-CG 3.25Å; L620-L624 WeakPolarHBondContact O-CG 3.2Å; L620-L624 PolarHBondContact O-N 3.15Å
625	K	86.9	Confident	70	Confident	110 Å²	110	79.1 Å²	79.1	48%	0.478	43%	0.433	S	S	.	.	S	Bend	trans	-74.9	141.5	168.9	-82.6	170.3	-174.2	168.5	0	109.3	Q621 N622 C623 S627	Q621-K625 WeakPolarHBondContact O-CG 3.45Å; Q621-K625 PolarHBondContact O-N 3.22Å; N622-K625 PolarHBondContact O-N 2.72Å; N622-K625 PolarHBondContact OD1-NZ 3.07Å; C623-K625 PolarHBondContact O-N 2.96Å; K625-S627 PolarHBondContact O-N 2.96Å
626	H	66.7	Low	67.2	Low	113 Å²	113	86.7 Å²	86.7	52%	0.523	47%	0.467	S	S	.	.			trans	-66.5	120.7	176.7	-159.7	44.7	0	0	0	109.4	A628	H626-A628 PolarHBondContact O-N 3.46Å
627	S	53.9	Low	64.5	Low	52 Å²	52	95.7 Å²	95.7	36%	0.364	51%	0.509	S	S	.	.			trans	-83.6	103.3	170.4	-176.7	0	0	0	0	107.9	K625 L629	K625-S627 PolarHBondContact O-N 2.96Å; S627-L629 PolarHBondContact O-N 3.31Å
628	A	41.1	Very low	61.8	Low	86 Å²	86	103.4 Å²	103.4	71%	0.711	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.4	175.5	0	0	0	0	0	113.3	H626	H626-A628 PolarHBondContact O-N 3.46Å
629	L	41.4	Very low	59.2	Low	162 Å²	162	108.5 Å²	108.5	85%	0.848	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-4.4	-176.5	-81.9	152	0	0	0	114.1	S627	S627-L629 PolarHBondContact O-N 3.31Å
630	L	41.5	Very low	56.8	Low	147 Å²	147	114.4 Å²	114.4	77%	0.77	60%	0.599	S	S	*	*	S	Bend	trans	-105.7	-7.3	-178.6	-76.9	164	0	0	0	114.2	A632	L630-A632 VanDerWaalsContact C-N 3.3Å; L630-A632 PolarHBondContact O-N 3.42Å; L630-A632 VanDerWaalsContact O-N 3.14Å
631	D	39.5	Very low	54.4	Low	97 Å²	97	125.6 Å²	125.6	52%	0.519	66%	0.659	S	S	.	*			trans	-84.2	79.9	167.4	-67.3	-30.5	0	0	0	107.7	R485	R485-D631 IonicContact NH1-OD1 3.73Å
632	A	32.7	Very low	52.4	Low	85 Å²	85	129.4 Å²	129.4	70%	0.702	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-65	130.2	157	0	0	0	0	0	106.7	L630 E634	L630-A632 VanDerWaalsContact C-N 3.3Å; L630-A632 PolarHBondContact O-N 3.42Å; L630-A632 VanDerWaalsContact O-N 3.14Å; A632-E634 PolarHBondContact O-N 3.44Å
633	P	40.3	Very low	50.3	Low	117 Å²	117	131.3 Å²	131.3	76%	0.76	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-59.8	129.3	174.8	24.7	-30.1	0	0	0	107.9	E635	P633-E635 PolarHBondContact O-N 3.47Å
634	E	39.6	Very low	47.9	Very low	187 Å²	187	137.9 Å²	137.9	87%	0.874	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-50.1	117.5	163.2	-71.1	177	161.7	0	0	106.2	A632 E636	A632-E634 PolarHBondContact O-N 3.44Å; E634-E636 PolarHBondContact O-N 3.41Å
635	E	37.7	Very low	45.3	Very low	185 Å²	185	145.6 Å²	145.6	86%	0.864	76%	0.764	S	S	*	*			trans	-55.7	112.9	172.8	-72.3	-179.6	162.5	0	0	106.3	P633 E637	P633-E635 PolarHBondContact O-N 3.47Å; E635-E637 PolarHBondContact O-N 2.68Å
636	E	37.5	Very low	42.7	Very low	187 Å²	187	147.9 Å²	147.9	87%	0.874	78%	0.781	S	S	*	*			trans	-55.7	109.3	166.5	-71.5	180	161.4	0	0	106	E634 E638	E634-E636 PolarHBondContact O-N 3.41Å; E636-E638 PolarHBondContact O-N 3.36Å
637	E	38.7	Very low	41.1	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	80%	0.799	S	S	*	*			trans	-58.5	105.8	166	-73.1	-174.7	161.8	0	0	106.4	E635 E639	E635-E637 PolarHBondContact O-N 2.68Å; E637-E639 PolarHBondContact O-N 3.02Å
638	E	39.4	Very low	40.1	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.822	83%	0.83	S	S	*	*			trans	-57.6	108.2	167.5	-72.8	-176.1	155	0	0	107.6	E636 D640	E636-E638 PolarHBondContact O-N 3.36Å; E638-D640 PolarHBondContact O-N 2.76Å
639	E	41.9	Very low	40.1	Very low	191 Å²	191	162.7 Å²	162.7	89%	0.893	84%	0.839	S	S	*	*			trans	-66.4	98.1	163.5	-76.9	-176.3	157.1	0	0	108.1	E637 D641	E637-E639 PolarHBondContact O-N 3.02Å; E639-D641 PolarHBondContact O-N 2.66Å
640	D	45.8	Very low	40	Very low	156 Å²	156	162.8 Å²	162.8	83%	0.834	84%	0.838	S	S	*	*			trans	-73.7	108.6	162.2	-87.8	-25.4	0	0	0	109.1	E638	E638-D640 PolarHBondContact O-N 2.76Å
641	D	45	Very low	39.8	Very low	236 Å²	236	164.2 Å²	164.2	100%	1.262	84%	0.844	S	S	*	*			trans	-109.7	0	164.8	-111	-0.6	0	0	0	111.1	E639	E639-D641 PolarHBondContact O-N 2.66Å

Retrieved 641 of 641 residues in 221.4 ms (Link to these results)

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