A0A3Q0KJU6_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KJU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 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	25.9	Very low	32.3	Very low	235 Å²	235	117.8 Å²	117.8	100%	1.158	67%	0.671	S	S	*	*				0	124.5	0	-74.9	-169.7	176.5	0	0	107.4
2	P	28.5	Very low	33.6	Very low	113 Å²	113	119 Å²	119	73%	0.734	66%	0.656	S	S	*	*			trans	-68.4	143.3	170.3	1.2	13.4	0	0	0	109.5	S6	P2-S6 WeakPolarHBondContact CB-OG 3.47Å
3	L	28.4	Very low	34.3	Very low	139 Å²	139	119.7 Å²	119.7	73%	0.728	67%	0.666	S	S	*	*			trans	-64.2	158.8	-173	-74.6	161.7	0	0	0	112.3	N5 S6	L3-N5 PolarHBondContact O-N 3.48Å; L3-S6 PolarHBondContact N-OG 2.92Å; L3-S6 VanDerWaalsContact N-OG 3.11Å; L3-S6 PolarHBondContact O-N 2.91Å; L3-S6 PolarHBondContact O-OG 2.7Å
4	P	35.2	Very low	35.4	Very low	110 Å²	110	118 Å²	118	71%	0.714	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-9.8	-172.2	-22.7	33.1	0	0	0	116.7
5	N	34.3	Very low	36.5	Very low	137 Å²	137	114.8 Å²	114.8	73%	0.733	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	22.7	179.2	-63.9	-21.5	0	0	0	112.7	L3	L3-N5 PolarHBondContact O-N 3.48Å
6	S	28.3	Very low	37.5	Very low	54 Å²	54	110.8 Å²	110.8	38%	0.378	60%	0.603	S	S	.	*			trans	-70.7	123.7	171.6	-38.3	0	0	0	0	107.5	P2 L3 V8	P2-S6 WeakPolarHBondContact CB-OG 3.47Å; L3-S6 PolarHBondContact N-OG 2.92Å; L3-S6 VanDerWaalsContact N-OG 3.11Å; L3-S6 PolarHBondContact O-N 2.91Å; L3-S6 PolarHBondContact O-OG 2.7Å; S6-V8 PolarHBondContact O-N 3.2Å
7	P	30.2	Very low	38.5	Very low	66 Å²	66	114.6 Å²	114.6	43%	0.429	62%	0.616	S	S	.	*			trans	-53.5	134.8	166.6	22.7	-29.8	0	0	0	106.9	D9	P7-D9 PolarHBondContact O-N 2.98Å
8	V	34.9	Very low	39.6	Very low	102 Å²	102	117.3 Å²	117.3	62%	0.618	62%	0.624	S	S	*	*			trans	-61.2	109	173	177.3	0	0	0	0	104.8	S6 S10	S6-V8 PolarHBondContact O-N 3.2Å; V8-S10 PolarHBondContact O-N 3.45Å
9	D	31.1	Very low	41.2	Very low	148 Å²	148	112.8 Å²	112.8	79%	0.791	60%	0.603	S	S	*	*			trans	-56.9	96.6	169.9	-83.6	-32.6	0	0	0	106.5	P7 D11	P7-D9 PolarHBondContact O-N 2.98Å; D9-D11 PolarHBondContact O-N 3.23Å
10	S	40.2	Very low	43.3	Very low	42 Å²	42	115.1 Å²	115.1	29%	0.294	60%	0.602	S	S	.	*			trans	-86.7	94.5	-178.7	159.4	0	0	0	0	105.2	V8 W12	V8-S10 PolarHBondContact O-N 3.45Å; S10-W12 PolarHBondContact O-N 3.14Å; S10-W12 WeakPolarHBondContact OG-CB 3.49Å; S10-W12 VanDerWaalsContact OG-CD1 3.25Å
11	D	37.9	Very low	45.5	Very low	150 Å²	150	112.8 Å²	112.8	80%	0.802	59%	0.593	S	S	*	*			trans	-63	7.8	164.2	-81.1	-20.3	0	0	0	112	D9 T13	D9-D11 PolarHBondContact O-N 3.23Å; D11-T13 PolarHBondContact O-N 3.36Å
12	W	48.8	Very low	48.7	Very low	132 Å²	132	101.9 Å²	101.9	50%	0.5	54%	0.54	S	S	.	.			trans	-83.2	55.2	-179.7	-45.3	107.8	0	0	0	110.8	S10 Y14 R441	S10-W12 PolarHBondContact O-N 3.14Å; S10-W12 WeakPolarHBondContact OG-CB 3.49Å; S10-W12 VanDerWaalsContact OG-CD1 3.25Å; W12-Y14 PolarHBondContact O-N 2.8Å; W12-R441 HydrophobicContact CH2-CG 3.74Å; W12-R441 HydrophobicContact CZ2-CG 3.77Å
13	T	42.8	Very low	51.9	Low	128 Å²	128	96.5 Å²	96.5	79%	0.785	51%	0.505	S	S	*	.			trans	-70.7	116.4	172.7	47.2	0	0	0	0	109.7	D11	D11-T13 PolarHBondContact O-N 3.36Å
14	Y	49.7	Very low	55.1	Low	96 Å²	96	93.3 Å²	93.3	38%	0.376	49%	0.488	S	S	.	.			trans	-41.1	135.2	169.2	169	-131.1	0	0	0	113.3	W12 E16 R515	W12-Y14 PolarHBondContact O-N 2.8Å; Y14-E16 HydrophobicContact CD1-CG 3.68Å; Y14-E16 HydrophobicContact CE1-CB 4.02Å; Y14-E16 HydrophobicContact CE1-CG 2.99Å; Y14-E16 VanDerWaalsContact CZ-CA 3.46Å; Y14-E16 VanDerWaalsContact CZ-CG 3.47Å; Y14-R515 PolarHBondContact OH-NH1 3.37Å
15	N	52.1	Low	58	Low	70 Å²	70	89 Å²	89	37%	0.374	46%	0.461	S	S	.	.			trans	-99	106.1	164.4	-169.2	0.7	0	0	0	109.1	E17 E18	N15-E17 PolarHBondContact O-N 3.23Å; N15-E17 PolarHBondContact OD1-N 3.34Å; N15-E18 HydrophobicContact CB-CG 4.32Å; N15-E18 PolarHBondContact ND2-OE1 3.43Å; N15-E18 PolarHBondContact O-N 3.46Å
16	E	52.4	Low	60.9	Low	51 Å²	51	85.3 Å²	85.3	24%	0.238	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.7	177.7	-90.7	-169.8	-177.1	0	0	113	Y14 E18 S19 H591 T592	Y14-E16 HydrophobicContact CD1-CG 3.68Å; Y14-E16 HydrophobicContact CE1-CB 4.02Å; Y14-E16 HydrophobicContact CE1-CG 2.99Å; Y14-E16 VanDerWaalsContact CZ-CA 3.46Å; Y14-E16 VanDerWaalsContact CZ-CG 3.47Å; E16-E18 VanDerWaalsContact C-N 3.25Å; E16-E18 PolarHBondContact O-N 3.07Å; E16-S19 PolarHBondContact O-N 3.04Å; E16-H591 IonicContact OE1-CE1 3.29Å; E16-H591 IonicContact OE1-CG 3.8Å; E16-H591 IonicContact OE1-ND1 2.85Å; E16-H591 PolarHBondContact OE1-ND1 3.19Å; E16-T592 WeakPolarHBondContact OE2-CG2 3.45Å; E16-T592 PolarHBondContact OE2-OG1 2.79Å
17	E	54.2	Low	64	Low	176 Å²	176	89.7 Å²	89.7	82%	0.822	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-70.1	-17.6	-174.6	-59.8	-177.1	165.6	0	0	113.9	N15	N15-E17 PolarHBondContact O-N 3.23Å; N15-E17 PolarHBondContact OD1-N 3.34Å
18	E	58.3	Low	66.8	Low	163 Å²	163	95.9 Å²	95.9	76%	0.762	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-92.8	-6.1	-179.6	-69.1	179.6	-164.6	0	0	113.5	N15 E16	N15-E18 HydrophobicContact CB-CG 4.32Å; N15-E18 PolarHBondContact ND2-OE1 3.43Å; N15-E18 PolarHBondContact O-N 3.46Å; E16-E18 VanDerWaalsContact C-N 3.25Å; E16-E18 PolarHBondContact O-N 3.07Å
19	S	69.4	Low	69.4	Low	31 Å²	31	94.5 Å²	94.5	22%	0.217	48%	0.48	C	S	.	.	S	Bend	trans	-76.9	143.1	-179.3	-166.7	0	0	0	0	112	E16 R515 D593	E16-S19 PolarHBondContact O-N 3.04Å; S19-R515 PolarHBondContact OG-NH1 2.83Å; S19-R515 VanDerWaalsContact OG-NH1 3.12Å; S19-D593 PolarHBondContact OG-OD2 2.98Å
20	R	83.2	Confident	72.4	Confident	158 Å²	158	89.3 Å²	89.3	60%	0.596	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66.8	136.5	168.1	-175.5	-178.4	86.9	144.6	2.9	109	L22 E510	R20-L22 WeakPolarHBondContact O-CG 3.44Å; R20-L22 PolarHBondContact O-N 3.38Å; R20-E510 IonicContact CZ-OE1 3.34Å; R20-E510 IonicContact CZ-OE2 3.37Å; R20-E510 VanDerWaalsContact NH2-CD 3.31Å; R20-E510 IonicContact NH2-OE1 3.33Å; R20-E510 PolarHBondContact NH2-OE1 2.89Å; R20-E510 IonicContact NH2-OE2 3Å; R20-E510 PolarHBondContact NH2-OE2 2.97Å; R20-E510 VanDerWaalsContact NH2-OE2 3.14Å
21	T	90.5	Very high	74.9	Confident	67 Å²	67	88.7 Å²	88.7	41%	0.411	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.4	118.9	169.1	-49.1	0	0	0	0	110.8	L24 V38	T21-L24 HydrophobicContact CG2-CD1 4.26Å; T21-L24 HydrophobicContact CG2-CD2 3.68Å; T21-L24 HydrophobicContact CG2-CG 3.74Å; T21-V38 HydrophobicContact CG2-CG2 4.05Å
22	L	92.5	Very high	77.5	Confident	6 Å²	6	81.7 Å²	81.7	3%	0.031	41%	0.411	C	S	.	.			trans	-101.6	-31.9	-179	-55.6	-177.8	0	0	0	112.5	R20 A37 V38 E510 A521 D593	R20-L22 WeakPolarHBondContact O-CG 3.44Å; R20-L22 PolarHBondContact O-N 3.38Å; L22-A37 WeakPolarHBondContact O-CA 3.41Å; L22-V38 PolarHBondContact O-N 3.48Å; L22-E510 WeakPolarHBondContact CD2-OE1 3.19Å; L22-A521 HydrophobicContact CB-CB 3.68Å; L22-D593 PolarHBondContact N-O 2.93Å
23	A	95.2	Very high	79.7	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.7	176.8	0	0	0	0	0	111.6	W35 R36 A521 P522 D593 G594	A23-W35 HydrophobicContact CB-CE3 4.31Å; A23-R36 WeakPolarHBondContact CA-O 3.26Å; A23-R36 WeakPolarHBondContact CB-O 3.38Å; A23-A521 HydrophobicContact CB-CB 4.13Å; A23-P522 HydrophobicContact CB-CG 4.26Å; A23-D593 PolarHBondContact N-O 3.21Å; A23-G594 WeakPolarHBondContact CB-O 3.41Å
24	L	95.8	Very high	82.3	Confident	72 Å²	72	70.5 Å²	70.5	38%	0.377	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.7	177.9	-72.1	171.6	0	0	0	110.3	T21 W35 R36 V38 L41	T21-L24 HydrophobicContact CG2-CD1 4.26Å; T21-L24 HydrophobicContact CG2-CD2 3.68Å; T21-L24 HydrophobicContact CG2-CG 3.74Å; L24-W35 WeakPolarHBondContact O-CA 3.45Å; L24-R36 PolarHBondContact N-O 3.48Å; L24-R36 PolarHBondContact O-N 2.92Å; L24-V38 HydrophobicContact CD1-CG2 4.47Å; L24-V38 HydrophobicContact CG-CG2 4.41Å; L24-L41 HydrophobicContact CB-CD1 4.22Å; L24-L41 HydrophobicContact CD1-CD2 4.42Å
25	P	96.4	Very high	84.6	Confident	21 Å²	21	66.7 Å²	66.7	14%	0.136	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	138.1	164.3	27.8	-32.9	0	0	0	109.7	R27 D30 S33 P34 W35	P25-R27 PolarHBondContact O-N 3Å; P25-D30 VanDerWaalsContact CB-O 3.28Å; P25-D30 WeakPolarHBondContact CB-O 3.47Å; P25-S33 VanDerWaalsContact CB-OG 3.28Å; P25-S33 WeakPolarHBondContact CB-OG 3.21Å; P25-P34 CarbonylContact C-O 3.59Å; P25-W35 HydrophobicContact CB-CD2 4.49Å; P25-W35 HydrophobicContact CG-CZ2 4.37Å
26	V	94.7	Very high	86.7	Confident	58 Å²	58	65.5 Å²	65.5	35%	0.352	33%	0.333	S	S	.	.	S	Bend	trans	-61.4	-34	178.3	167.8	0	0	0	0	111	P34 R36 L41	V26-P34 WeakPolarHBondContact CB-O 3.2Å; V26-P34 HydrophobicContact CG2-CB 4.28Å; V26-P34 WeakPolarHBondContact CG2-O 3.36Å; V26-P34 PolarHBondContact N-O 3.35Å; V26-R36 HydrophobicContact CG2-CB 4.38Å; V26-R36 HydrophobicContact CG2-CG 3.7Å; V26-L41 HydrophobicContact CG2-CD1 4.41Å
27	R	93.4	Very high	88.7	Confident	146 Å²	146	63.1 Å²	63.1	55%	0.551	32%	0.322	S	S	*	.	S	Bend	trans	-99.5	114.3	169.8	-63.3	179.8	-176.1	165.5	2.7	108.3	P25 G29 D30 S33 D577	P25-R27 PolarHBondContact O-N 3Å; R27-G29 PolarHBondContact O-N 3.32Å; R27-D30 HydrophobicContact CB-CB 4.04Å; R27-D30 PolarHBondContact O-N 2.93Å; R27-D30 VanDerWaalsContact O-N 3.08Å; R27-S33 PolarHBondContact N-OG 3.02Å; R27-S33 VanDerWaalsContact N-OG 3.12Å; R27-S33 PolarHBondContact O-OG 3.42Å; R27-D577 IonicContact NH2-OD2 2.79Å
28	E	90.3	Very high	90.6	Very high	197 Å²	197	57.9 Å²	57.9	92%	0.921	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	131.6	178	-169	176.5	-176.8	0	0	111	D30	E28-D30 PolarHBondContact O-N 3.38Å
29	G	88.1	Confident	92.1	Very high	73 Å²	73	54.6 Å²	54.6	75%	0.753	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-5.5	-178.6	0	0	0	0	0	116.1	R27 P31	R27-G29 PolarHBondContact O-N 3.32Å; G29-P31 VanDerWaalsContact O-CD 3.27Å; G29-P31 WeakPolarHBondContact O-CD 3.39Å
30	D	94.2	Very high	93.2	Very high	38 Å²	38	53.2 Å²	53.2	20%	0.203	28%	0.277	C	S	.	.			trans	-109.5	91.9	176.2	179.4	15.3	0	0	0	110.9	P25 R27 E28 G32 S33 Y541	P25-D30 VanDerWaalsContact CB-O 3.28Å; P25-D30 WeakPolarHBondContact CB-O 3.47Å; R27-D30 HydrophobicContact CB-CB 4.04Å; R27-D30 PolarHBondContact O-N 2.93Å; R27-D30 VanDerWaalsContact O-N 3.08Å; E28-D30 PolarHBondContact O-N 3.38Å; D30-G32 PolarHBondContact O-N 3.3Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.45Å; D30-G32 PolarHBondContact OD1-N 2.99Å; D30-S33 VanDerWaalsContact O-CB 3.31Å; D30-S33 WeakPolarHBondContact O-CB 3.45Å; D30-S33 PolarHBondContact O-N 3.18Å; D30-S33 PolarHBondContact O-OG 3.19Å; D30-S33 PolarHBondContact OD1-N 2.89Å; D30-Y541 WeakPolarHBondContact OD1-CE1 3.44Å; D30-Y541 PolarHBondContact OD1-OH 2.77Å
31	P	93	Very high	93.6	Very high	30 Å²	30	48 Å²	48	20%	0.195	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.4	178.1	29.5	-36.5	0	0	0	113.2	G29 S33 W35 P540 Y541 P546	G29-P31 VanDerWaalsContact O-CD 3.27Å; G29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-S33 VanDerWaalsContact C-N 3.32Å; P31-W35 HydrophobicContact CB-CZ2 4.19Å; P31-W35 PolarHBondContact O-NE1 3.25Å; P31-P540 VanDerWaalsContact CB-O 3.3Å; P31-P540 WeakPolarHBondContact CB-O 3.4Å; P31-P540 VanDerWaalsContact CG-O 3.22Å; P31-P540 WeakPolarHBondContact CG-O 3.32Å; P31-Y541 HydrophobicContact CG-CD1 3.87Å; P31-Y541 HydrophobicContact CG-CE1 4.31Å; P31-P546 HydrophobicContact CB-CB 4.26Å; P31-P546 HydrophobicContact CB-CG 3.59Å; P31-P546 HydrophobicContact CG-CG 4.47Å
32	G	93.4	Very high	93.6	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.3	172.1	0	0	0	0	0	114.2	D30 R529	D30-G32 PolarHBondContact O-N 3.3Å; D30-G32 VanDerWaalsContact O-N 3.16Å; D30-G32 WeakPolarHBondContact OD1-CA 3.45Å; D30-G32 PolarHBondContact OD1-N 2.99Å; G32-R529 PolarHBondContact O-NE 2.8Å
33	S	95	Very high	93.5	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.021	30%	0.301	C	S	.	.	S	Bend	trans	-75.6	161.4	170.4	77.7	0	0	0	0	111.3	P25 R27 D30 P31 W35	P25-S33 VanDerWaalsContact CB-OG 3.28Å; P25-S33 WeakPolarHBondContact CB-OG 3.21Å; R27-S33 PolarHBondContact N-OG 3.02Å; R27-S33 VanDerWaalsContact N-OG 3.12Å; R27-S33 PolarHBondContact O-OG 3.42Å; D30-S33 VanDerWaalsContact O-CB 3.31Å; D30-S33 WeakPolarHBondContact O-CB 3.45Å; D30-S33 PolarHBondContact O-N 3.18Å; D30-S33 PolarHBondContact O-OG 3.19Å; D30-S33 PolarHBondContact OD1-N 2.89Å; P31-S33 VanDerWaalsContact C-N 3.32Å; S33-W35 VanDerWaalsContact O-CD1 3.29Å; S33-W35 PolarHBondContact O-N 3.06Å
34	P	96.5	Very high	93.2	Very high	23 Å²	23	56.9 Å²	56.9	15%	0.149	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.7	134.2	175.9	-27.7	37.9	0	0	0	112.2	P25 V26 Q527 I528 W581	P25-P34 CarbonylContact C-O 3.59Å; V26-P34 WeakPolarHBondContact CB-O 3.2Å; V26-P34 HydrophobicContact CG2-CB 4.28Å; V26-P34 WeakPolarHBondContact CG2-O 3.36Å; V26-P34 PolarHBondContact N-O 3.35Å; P34-Q527 HydrophobicContact CB-CB 4.16Å; P34-Q527 HydrophobicContact CB-CG 4.1Å; P34-I528 CarbonylContact C-O 3.58Å; P34-W581 HydrophobicContact CB-CH2 3.88Å; P34-W581 HydrophobicContact CB-CZ2 4.44Å; P34-W581 HydrophobicContact CG-CH2 3.71Å; P34-W581 HydrophobicContact CG-CZ2 3.78Å
35	W	97.4	Very high	92.5	Very high	16 Å²	16	55.5 Å²	55.5	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.1	171.1	-70.2	68.1	0	0	0	110.4	A23 L24 P25 P31 S33 P522 Q527 I528 P546 M590	A23-W35 HydrophobicContact CB-CE3 4.31Å; L24-W35 WeakPolarHBondContact O-CA 3.45Å; P25-W35 HydrophobicContact CB-CD2 4.49Å; P25-W35 HydrophobicContact CG-CZ2 4.37Å; P31-W35 HydrophobicContact CB-CZ2 4.19Å; P31-W35 PolarHBondContact O-NE1 3.25Å; S33-W35 VanDerWaalsContact O-CD1 3.29Å; S33-W35 PolarHBondContact O-N 3.06Å; W35-P522 HydrophobicContact CB-CG 4.31Å; W35-Q527 VanDerWaalsContact O-CA 3.32Å; W35-Q527 WeakPolarHBondContact O-CA 3.45Å; W35-Q527 WeakPolarHBondContact O-CB 3.4Å; W35-I528 WeakPolarHBondContact CB-O 3.38Å; W35-I528 PolarHBondContact N-O 3.29Å; W35-I528 PolarHBondContact O-N 3Å; W35-P546 HydrophobicContact CZ2-CG 4.2Å; W35-M590 HydrophobicContact CB-CE 3.94Å; W35-M590 HydrophobicContact CD2-CE 3.98Å; W35-M590 HydrophobicContact CD2-CG 3.77Å; W35-M590 HydrophobicContact CD2-SD 4.26Å; W35-M590 HydrophobicContact CE3-CE 4.32Å; W35-M590 HydrophobicContact CE3-CG 3.64Å; W35-M590 HydrophobicContact CE3-SD 4.05Å; W35-M590 HydrophobicContact CG-CE 3.8Å; W35-M590 HydrophobicContact CH2-CG 3.74Å; W35-M590 HydrophobicContact CZ2-CB 4.42Å; W35-M590 HydrophobicContact CZ2-CG 3.88Å; W35-M590 HydrophobicContact CZ3-CG 3.62Å; W35-M590 HydrophobicContact CZ3-SD 4.47Å
36	R	96.9	Very high	91.4	Very high	45 Å²	45	56.3 Å²	56.3	17%	0.17	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.6	175.1	-67.8	-177.4	-171.8	165.3	-1.6	109.7	A23 L24 V26 A40 L41 L44 Q527	A23-R36 WeakPolarHBondContact CA-O 3.26Å; A23-R36 WeakPolarHBondContact CB-O 3.38Å; L24-R36 PolarHBondContact N-O 3.48Å; L24-R36 PolarHBondContact O-N 2.92Å; V26-R36 HydrophobicContact CG2-CB 4.38Å; V26-R36 HydrophobicContact CG2-CG 3.7Å; R36-A40 VanDerWaalsContact CD-O 3.25Å; R36-A40 WeakPolarHBondContact CD-O 3.47Å; R36-L41 HydrophobicContact CB-CD1 4.32Å; R36-L41 PolarHBondContact NH1-O 3.45Å; R36-L44 HydrophobicContact CG-CD2 4.15Å; R36-Q527 HydrophobicContact CG-CB 3.73Å; R36-Q527 VanDerWaalsContact CZ-OE1 3.28Å
37	A	94.7	Very high	90.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	143.8	166.2	0	0	0	0	0	110	L22 E39 A40 L41 P522	L22-A37 WeakPolarHBondContact O-CA 3.41Å; A37-E39 HydrophobicContact CB-CG 4.38Å; A37-E39 PolarHBondContact O-N 2.95Å; A37-A40 CarbonylContact O-C 3.57Å; A37-A40 WeakPolarHBondContact O-CA 3.45Å; A37-A40 PolarHBondContact O-N 2.69Å; A37-L41 PolarHBondContact O-N 3.01Å; A37-L41 VanDerWaalsContact O-N 3.09Å; A37-P522 WeakPolarHBondContact CB-O 3.43Å
38	V	93.9	Very high	90.2	Very high	65 Å²	65	51.4 Å²	51.4	39%	0.394	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-56	-38.8	-175.5	173.2	0	0	0	0	111.5	T21 L22 L24 A40 L41	T21-V38 HydrophobicContact CG2-CG2 4.05Å; L22-V38 PolarHBondContact O-N 3.48Å; L24-V38 HydrophobicContact CD1-CG2 4.47Å; L24-V38 HydrophobicContact CG-CG2 4.41Å; V38-A40 PolarHBondContact O-N 3.2Å; V38-L41 WeakPolarHBondContact O-CB 3.5Å; V38-L41 PolarHBondContact O-N 3.17Å
39	E	90.7	Very high	89.9	Confident	95 Å²	95	46.5 Å²	46.5	44%	0.444	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.4	-14.9	177.8	66.6	-90.8	-153.6	0	0	114.8	A37 R335 P524	A37-E39 HydrophobicContact CB-CG 4.38Å; A37-E39 PolarHBondContact O-N 2.95Å; E39-R335 IonicContact OE1-CZ 3.18Å; E39-R335 IonicContact OE1-NE 3.84Å; E39-R335 IonicContact OE1-NH2 2.93Å; E39-R335 PolarHBondContact OE1-NH2 3.25Å; E39-R335 IonicContact OE2-NH2 2.72Å; E39-P524 HydrophobicContact CG-CG 4.32Å
40	A	92.2	Very high	89.8	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.017	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-120.3	17.5	-179.3	0	0	0	0	0	112.2	R36 A37 V38 D42 G43 P524	R36-A40 VanDerWaalsContact CD-O 3.25Å; R36-A40 WeakPolarHBondContact CD-O 3.47Å; A37-A40 CarbonylContact O-C 3.57Å; A37-A40 WeakPolarHBondContact O-CA 3.45Å; A37-A40 PolarHBondContact O-N 2.69Å; V38-A40 PolarHBondContact O-N 3.2Å; A40-D42 PolarHBondContact O-N 3.08Å; A40-G43 CarbonylContact C-O 3.51Å; A40-G43 WeakPolarHBondContact CA-O 3.39Å; A40-G43 CarbonylContact O-C 3.36Å; A40-G43 PolarHBondContact O-N 3.43Å; A40-P524 HydrophobicContact CB-CB 4.12Å
41	L	91.2	Very high	89.8	Confident	49 Å²	49	45 Å²	45	26%	0.257	28%	0.281	S	S	.	.	S	Bend	trans	-61.1	-46.4	-175.6	-170.1	63.4	0	0	0	111.5	L24 V26 R36 A37 V38 G43	L24-L41 HydrophobicContact CB-CD1 4.22Å; L24-L41 HydrophobicContact CD1-CD2 4.42Å; V26-L41 HydrophobicContact CG2-CD1 4.41Å; R36-L41 HydrophobicContact CB-CD1 4.32Å; R36-L41 PolarHBondContact NH1-O 3.45Å; A37-L41 PolarHBondContact O-N 3.01Å; A37-L41 VanDerWaalsContact O-N 3.09Å; V38-L41 WeakPolarHBondContact O-CB 3.5Å; V38-L41 PolarHBondContact O-N 3.17Å; L41-G43 VanDerWaalsContact C-N 3.26Å; L41-G43 PolarHBondContact O-N 3.23Å
42	D	89.9	Confident	89.7	Confident	169 Å²	169	49 Å²	49	90%	0.904	30%	0.296	S	S	*	.	S	Bend	trans	-72.1	-17.9	-180	-63	-37.4	0	0	0	113.6	A40	A40-D42 PolarHBondContact O-N 3.08Å
43	G	89.7	Confident	89.8	Confident	38 Å²	38	49.2 Å²	49.2	39%	0.392	30%	0.297	S	S	.	.	S	Bend	trans	173.6	143.2	-179	0	0	0	0	0	112.6	A40 L41 T45	A40-G43 CarbonylContact C-O 3.51Å; A40-G43 WeakPolarHBondContact CA-O 3.39Å; A40-G43 CarbonylContact O-C 3.36Å; A40-G43 PolarHBondContact O-N 3.43Å; L41-G43 VanDerWaalsContact C-N 3.26Å; L41-G43 PolarHBondContact O-N 3.23Å; G43-T45 PolarHBondContact O-N 3.08Å
44	L	90.5	Very high	89.9	Confident	52 Å²	52	49.1 Å²	49.1	27%	0.272	30%	0.296	S	S	.	.			trans	-69.5	132	178.4	-59.4	179.3	0	0	0	110.5	R36 L526 Q527	R36-L44 HydrophobicContact CG-CD2 4.15Å; L44-L526 VanDerWaalsContact CD2-C 3.49Å; L44-L526 VanDerWaalsContact CD2-O 3.28Å; L44-L526 WeakPolarHBondContact CD2-O 3.48Å; L44-Q527 HydrophobicContact CD2-CB 4.42Å
45	T	81.2	Confident	89.9	Confident	43 Å²	43	48.4 Å²	48.4	26%	0.264	29%	0.291	S	S	.	.			trans	-67	152.6	167.2	63.9	0	0	0	0	109	G43 Q334 P524 T525	G43-T45 PolarHBondContact O-N 3.08Å; T45-Q334 PolarHBondContact OG1-NE2 3.37Å; T45-P524 HydrophobicContact CG2-CB 4.43Å; T45-P524 PolarHBondContact N-O 3.31Å; T45-P524 WeakPolarHBondContact OG1-CB 3.36Å; T45-P524 PolarHBondContact OG1-O 2.97Å; T45-T525 VanDerWaalsContact O-CA 3.3Å; T45-T525 WeakPolarHBondContact O-CA 3.41Å; T45-T525 WeakPolarHBondContact O-CB 3.32Å; T45-T525 VanDerWaalsContact O-CG2 3.31Å; T45-T525 WeakPolarHBondContact O-CG2 3.4Å; T45-T525 VanDerWaalsContact OG1-CG2 3.28Å; T45-T525 WeakPolarHBondContact OG1-CG2 3.5Å
46	S	72.5	Confident	89.8	Confident	37 Å²	37	49.6 Å²	49.6	26%	0.259	30%	0.299	S	S	.	.			trans	-151.6	-0.9	-176.5	65.4	0	0	0	0	117.2	K555	S46-K555 WeakPolarHBondContact OG-CE 3.31Å; S46-K555 PolarHBondContact OG-NZ 3.21Å
47	S	74.2	Confident	89.8	Confident	85 Å²	85	47.5 Å²	47.5	59%	0.594	29%	0.29	S	S	*	.			trans	-133.7	141.4	-171.3	57.9	0	0	0	0	112.9
48	L	88	Confident	89.8	Confident	16 Å²	16	47.4 Å²	47.4	8%	0.084	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-85.2	128.7	156	-67.8	172.5	0	0	0	107.1	G50 C51 V57 V326 I329 A330 L333 I366	L48-G50 PolarHBondContact O-N 3.46Å; L48-G50 VanDerWaalsContact O-N 3.09Å; L48-C51 HydrophobicContact CB-CB 4.05Å; L48-C51 PolarHBondContact O-N 2.88Å; L48-C51 VanDerWaalsContact O-N 3.08Å; L48-V57 HydrophobicContact CD1-CG2 4.04Å; L48-V326 HydrophobicContact CB-CG1 4.41Å; L48-V326 HydrophobicContact CD1-CG1 4.15Å; L48-V326 HydrophobicContact CG-CG1 4.32Å; L48-I329 HydrophobicContact CD1-CB 4.28Å; L48-I329 HydrophobicContact CD1-CG2 3.89Å; L48-A330 HydrophobicContact CD2-CB 3.95Å; L48-A330 HydrophobicContact CG-CB 3.99Å; L48-L333 HydrophobicContact CD2-CD1 4.12Å; L48-I366 HydrophobicContact CD1-CG1 4.28Å
49	P	84.4	Confident	89.9	Confident	94 Å²	94	45.9 Å²	45.9	61%	0.61	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	119.7	-178.1	-27.5	34.6	0	0	0	112.1	C51	P49-C51 VanDerWaalsContact C-N 3.31Å; P49-C51 PolarHBondContact O-N 2.91Å
50	G	87.4	Confident	90.1	Very high	72 Å²	72	45.7 Å²	45.7	74%	0.742	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	10.1	177.3	0	0	0	0	0	115.7	L48	L48-G50 PolarHBondContact O-N 3.46Å; L48-G50 VanDerWaalsContact O-N 3.09Å
51	C	93.6	Very high	90.1	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.054	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-120	107.4	174.1	-55.5	0	0	0	0	110.1	L48 P49 D56 V57 R60	L48-C51 HydrophobicContact CB-CB 4.05Å; L48-C51 PolarHBondContact O-N 2.88Å; L48-C51 VanDerWaalsContact O-N 3.08Å; P49-C51 VanDerWaalsContact C-N 3.31Å; P49-C51 PolarHBondContact O-N 2.91Å; C51-D56 HydrophobicContact CB-CB 3.98Å; C51-V57 HydrophobicContact CB-CG2 3.84Å; C51-R60 WeakPolarHBondContact SG-CD 3.46Å
52	K	91.6	Very high	90.3	Very high	115 Å²	115	43.5 Å²	43.5	50%	0.5	26%	0.263	S	S	.	.	S	Bend	trans	-90.9	-22.3	176.6	53.8	157.8	-174.6	-178	0	112.1	D56 P299	K52-D56 VanDerWaalsContact CE-OD2 3.31Å; K52-D56 WeakPolarHBondContact CE-OD2 3.31Å; K52-D56 WeakPolarHBondContact CG-OD2 3.43Å; K52-D56 PolarHBondContact N-OD2 2.6Å; K52-D56 VanDerWaalsContact N-OD2 3.12Å; K52-P299 HydrophobicContact CB-CG 3.77Å; K52-P299 HydrophobicContact CD-CG 4.37Å; K52-P299 HydrophobicContact CG-CG 4.41Å; K52-P299 WeakPolarHBondContact O-CB 3.49Å; K52-P299 WeakPolarHBondContact O-CG 3.39Å
53	D	95.2	Very high	90.5	Very high	6 Å²	6	44 Å²	44	3%	0.032	26%	0.257	C	S	.	.	S	Bend	trans	-144.1	-179.9	-179.6	58.3	48.8	0	0	0	111.6	V55 D56 V57 H322	D53-V55 VanDerWaalsContact C-N 3.27Å; D53-V55 PolarHBondContact O-N 2.68Å; D53-V55 WeakPolarHBondContact OD1-CA 3.38Å; D53-V55 VanDerWaalsContact OD1-CB 3.31Å; D53-V55 WeakPolarHBondContact OD1-CB 3.3Å; D53-V55 PolarHBondContact OD1-N 3.48Å; D53-D56 PolarHBondContact O-N 3.37Å; D53-D56 PolarHBondContact OD1-N 3.33Å; D53-V57 PolarHBondContact O-N 2.74Å; D53-H322 HydrophobicContact CB-CB 3.73Å
54	L	96.9	Very high	90.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.2	-23.8	-178.9	-65.2	176.9	0	0	0	112.9	V57 W58 F149 A303 H322 L325 V326 I329 L362	L54-V57 WeakPolarHBondContact O-CB 3.33Å; L54-V57 PolarHBondContact O-N 3.35Å; L54-W58 PolarHBondContact O-N 3.12Å; L54-F149 HydrophobicContact CB-CD2 3.94Å; L54-F149 HydrophobicContact CB-CE2 4.4Å; L54-F149 HydrophobicContact CB-CG 4.47Å; L54-F149 HydrophobicContact CD1-CD2 3.85Å; L54-F149 HydrophobicContact CD1-CE1 4.33Å; L54-F149 HydrophobicContact CD1-CE2 3.58Å; L54-F149 HydrophobicContact CD1-CG 4.35Å; L54-F149 HydrophobicContact CD1-CZ 3.84Å; L54-A303 HydrophobicContact CD1-CB 4.04Å; L54-H322 PolarHBondContact N-ND1 3.27Å; L54-L325 HydrophobicContact CD1-CB 4.39Å; L54-L325 HydrophobicContact CD1-CD1 3.77Å; L54-L325 HydrophobicContact CD2-CB 4.02Å; L54-V326 HydrophobicContact CD2-CG2 4.07Å; L54-I329 HydrophobicContact CD2-CD1 4.41Å; L54-L362 HydrophobicContact CD2-CD1 3.99Å
55	V	96.6	Very high	90.8	Very high	8 Å²	8	47.6 Å²	47.6	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-42.8	177.6	-174.9	0	0	0	0	109.2	D53 V57 W58 L59 F149 R150 M290	D53-V55 VanDerWaalsContact C-N 3.27Å; D53-V55 PolarHBondContact O-N 2.68Å; D53-V55 WeakPolarHBondContact OD1-CA 3.38Å; D53-V55 VanDerWaalsContact OD1-CB 3.31Å; D53-V55 WeakPolarHBondContact OD1-CB 3.3Å; D53-V55 PolarHBondContact OD1-N 3.48Å; V55-V57 VanDerWaalsContact C-N 3.32Å; V55-V57 PolarHBondContact O-N 2.97Å; V55-W58 PolarHBondContact O-N 3.4Å; V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.43Å; V55-F149 HydrophobicContact CG2-CB 4Å; V55-R150 HydrophobicContact CG1-CG 4.46Å; V55-R150 HydrophobicContact CG2-CB 4.47Å; V55-M290 HydrophobicContact CG1-CE 4.2Å; V55-M290 HydrophobicContact CG1-SD 4.47Å
56	D	95.3	Very high	91.4	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-37.1	173.7	-73.3	-19.9	0	0	0	112.4	C51 K52 D53 W58 R60	C51-D56 HydrophobicContact CB-CB 3.98Å; K52-D56 VanDerWaalsContact CE-OD2 3.31Å; K52-D56 WeakPolarHBondContact CE-OD2 3.31Å; K52-D56 WeakPolarHBondContact CG-OD2 3.43Å; K52-D56 PolarHBondContact N-OD2 2.6Å; K52-D56 VanDerWaalsContact N-OD2 3.12Å; D53-D56 PolarHBondContact O-N 3.37Å; D53-D56 PolarHBondContact OD1-N 3.33Å; D56-W58 VanDerWaalsContact C-N 3.29Å; D56-W58 PolarHBondContact O-N 2.86Å; D56-R60 WeakPolarHBondContact O-CB 3.44Å; D56-R60 PolarHBondContact O-N 3.42Å
57	V	95.3	Very high	92.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-48.7	174.3	159	0	0	0	0	110.3	L48 C51 D53 L54 V55 T61 V326 I366	L48-V57 HydrophobicContact CD1-CG2 4.04Å; C51-V57 HydrophobicContact CB-CG2 3.84Å; D53-V57 PolarHBondContact O-N 2.74Å; L54-V57 WeakPolarHBondContact O-CB 3.33Å; L54-V57 PolarHBondContact O-N 3.35Å; V55-V57 VanDerWaalsContact C-N 3.32Å; V55-V57 PolarHBondContact O-N 2.97Å; V57-T61 PolarHBondContact O-N 3.18Å; V57-T61 PolarHBondContact O-OG1 3.24Å; V57-V326 HydrophobicContact CG2-CG2 4.15Å; V57-I366 HydrophobicContact CB-CD1 4.29Å; V57-I366 HydrophobicContact CG1-CB 3.9Å; V57-I366 HydrophobicContact CG1-CD1 4.06Å; V57-I366 HydrophobicContact CG1-CG1 4.4Å; V57-I366 HydrophobicContact CG2-CD1 4.31Å
58	W	96.3	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-55.2	179.4	-178.4	-88	0	0	0	112.5	L54 V55 D56 R60 T61 V62 F71 A106 E107 V110 M142 F143 Q146 V365	L54-W58 PolarHBondContact O-N 3.12Å; V55-W58 PolarHBondContact O-N 3.4Å; D56-W58 VanDerWaalsContact C-N 3.29Å; D56-W58 PolarHBondContact O-N 2.86Å; W58-R60 VanDerWaalsContact C-N 3.31Å; W58-R60 PolarHBondContact O-N 3.41Å; W58-T61 WeakPolarHBondContact O-CB 3.48Å; W58-T61 PolarHBondContact O-N 3.29Å; W58-T61 VanDerWaalsContact O-N 3.12Å; W58-V62 WeakPolarHBondContact O-CG2 3.32Å; W58-V62 PolarHBondContact O-N 3.04Å; W58-F71 HydrophobicContact CH2-CE1 4.44Å; W58-F71 AromaticContact CH2-CE2 3.47Å; W58-F71 HydrophobicContact CH2-CE2 3.47Å; W58-F71 VanDerWaalsContact CH2-CE2 3.47Å; W58-F71 AromaticContact CH2-CZ 3.38Å; W58-F71 HydrophobicContact CH2-CZ 3.38Å; W58-F71 HydrophobicContact CZ2-CE2 4.34Å; W58-F71 HydrophobicContact CZ3-CE1 4.36Å; W58-F71 HydrophobicContact CZ3-CE2 4.01Å; W58-F71 AromaticContact CZ3-CZ 3.43Å; W58-F71 HydrophobicContact CZ3-CZ 3.43Å; W58-F71 VanDerWaalsContact CZ3-CZ 3.43Å; W58-A106 HydrophobicContact CH2-CB 4Å; W58-A106 HydrophobicContact CZ2-CB 3.83Å; W58-E107 PolarHBondContact NE1-OE2 3.41Å; W58-V110 HydrophobicContact CH2-CG2 4.37Å; W58-V110 HydrophobicContact CZ2-CG2 3.79Å; W58-M142 HydrophobicContact CZ3-CG 4.03Å; W58-F143 HydrophobicContact CH2-CD1 4.04Å; W58-F143 HydrophobicContact CH2-CE1 4.03Å; W58-Q146 HydrophobicContact CD2-CG 3.93Å; W58-Q146 HydrophobicContact CE3-CG 3.56Å; W58-Q146 HydrophobicContact CG-CG 4.48Å; W58-Q146 HydrophobicContact CH2-CG 4.46Å; W58-Q146 HydrophobicContact CZ3-CG 3.84Å; W58-V365 HydrophobicContact CE3-CG1 3.81Å; W58-V365 HydrophobicContact CZ3-CG1 4.31Å; W58-V365 HydrophobicContact CZ3-CG2 4.35Å
59	L	95.1	Very high	93.9	Very high	32 Å²	32	48 Å²	48	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-35.5	-175.1	-70.8	178.6	0	0	0	112.7	V55 V62 K63 L288 M290	V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.26Å; V55-L59 WeakPolarHBondContact O-CB 3.45Å; V55-L59 WeakPolarHBondContact O-CG 3.23Å; V55-L59 PolarHBondContact O-N 3.43Å; L59-V62 PolarHBondContact O-N 3.32Å; L59-K63 WeakPolarHBondContact O-CB 3.43Å; L59-K63 PolarHBondContact O-N 3.39Å; L59-L288 HydrophobicContact CD2-CD2 3.81Å; L59-M290 HydrophobicContact CD1-CE 4.5Å; L59-M290 HydrophobicContact CD1-SD 3.89Å
60	R	94	Very high	94.4	Very high	91 Å²	91	43.5 Å²	43.5	34%	0.343	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-45.9	174.4	-179.9	-178.4	172.7	-133.2	-3.7	111.1	C51 D56 W58 K63 L64	C51-R60 WeakPolarHBondContact SG-CD 3.46Å; D56-R60 WeakPolarHBondContact O-CB 3.44Å; D56-R60 PolarHBondContact O-N 3.42Å; W58-R60 VanDerWaalsContact C-N 3.31Å; W58-R60 PolarHBondContact O-N 3.41Å; R60-K63 PolarHBondContact O-N 2.94Å; R60-L64 HydrophobicContact CG-CD1 4.03Å; R60-L64 WeakPolarHBondContact O-CG 3.45Å; R60-L64 PolarHBondContact O-N 3.14Å
61	T	94.1	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-49	177.4	-68.2	0	0	0	0	111.3	V57 W58 K63 L64 W65 F103 V365 I366	V57-T61 PolarHBondContact O-N 3.18Å; V57-T61 PolarHBondContact O-OG1 3.24Å; W58-T61 WeakPolarHBondContact O-CB 3.48Å; W58-T61 PolarHBondContact O-N 3.29Å; W58-T61 VanDerWaalsContact O-N 3.12Å; T61-K63 PolarHBondContact O-N 3.2Å; T61-L64 PolarHBondContact O-N 2.94Å; T61-W65 HydrophobicContact CG2-CE3 3.96Å; T61-W65 HydrophobicContact CG2-CZ3 4.44Å; T61-W65 PolarHBondContact O-N 2.97Å; T61-F103 HydrophobicContact CG2-CD1 3.62Å; T61-F103 HydrophobicContact CG2-CD2 4.25Å; T61-F103 HydrophobicContact CG2-CE1 3.47Å; T61-F103 VanDerWaalsContact CG2-CE1 3.47Å; T61-F103 HydrophobicContact CG2-CE2 4.12Å; T61-F103 HydrophobicContact CG2-CG 4.03Å; T61-F103 HydrophobicContact CG2-CZ 3.74Å; T61-V365 WeakPolarHBondContact CB-O 3.5Å; T61-V365 HydrophobicContact CG2-CG1 4.5Å; T61-V365 WeakPolarHBondContact CG2-O 3.22Å; T61-V365 PolarHBondContact OG1-O 3Å; T61-I366 VanDerWaalsContact OG1-CA 3.29Å; T61-I366 WeakPolarHBondContact OG1-CA 3.24Å
62	V	94.8	Very high	94.9	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-41	179.6	177.1	0	0	0	0	110.8	W58 L59 L64 P66 F103 W104 E107	W58-V62 WeakPolarHBondContact O-CG2 3.32Å; W58-V62 PolarHBondContact O-N 3.04Å; L59-V62 PolarHBondContact O-N 3.32Å; V62-L64 PolarHBondContact O-N 2.92Å; V62-P66 VanDerWaalsContact O-CA 3.3Å; V62-P66 WeakPolarHBondContact O-CA 3.49Å; V62-P66 WeakPolarHBondContact O-CB 3.5Å; V62-P66 VanDerWaalsContact O-CD 3.24Å; V62-P66 WeakPolarHBondContact O-CD 3.09Å; V62-P66 VanDerWaalsContact O-N 3.12Å; V62-F103 HydrophobicContact CG2-CB 4.3Å; V62-W104 HydrophobicContact CG1-CE3 3.98Å; V62-W104 HydrophobicContact CG1-CZ3 4.44Å; V62-E107 HydrophobicContact CB-CB 4.46Å; V62-E107 HydrophobicContact CG1-CB 3.81Å; V62-E107 HydrophobicContact CG1-CG 4.01Å; V62-E107 HydrophobicContact CG2-CB 3.86Å; V62-E107 HydrophobicContact CG2-CG 4.42Å
63	K	93.1	Very high	94.9	Very high	180 Å²	180	35.3 Å²	35.3	78%	0.783	17%	0.171	S	C	*	.	H	α-helix	trans	-66.9	-34.7	177.3	-176.6	175.7	178.6	177.7	0	113.3	L59 R60 T61	L59-K63 WeakPolarHBondContact O-CB 3.43Å; L59-K63 PolarHBondContact O-N 3.39Å; R60-K63 PolarHBondContact O-N 2.94Å; T61-K63 PolarHBondContact O-N 3.2Å
64	L	93.1	Very high	94.5	Very high	90 Å²	90	36.4 Å²	36.4	47%	0.471	18%	0.175	S	C	.	.	H	α-helix	trans	-80.6	-35.1	-178.7	-71.9	174.4	0	0	0	112.7	R60 T61 V62	R60-L64 HydrophobicContact CG-CD1 4.03Å; R60-L64 WeakPolarHBondContact O-CG 3.45Å; R60-L64 PolarHBondContact O-N 3.14Å; T61-L64 PolarHBondContact O-N 2.94Å; V62-L64 PolarHBondContact O-N 2.92Å
65	W	94.2	Very high	93.9	Very high	75 Å²	75	37 Å²	37	28%	0.284	18%	0.18	S	C	.	.			trans	-140.7	55	-170.5	-59.7	-57.2	0	0	0	113.1	T61 D67 L68 F103	T61-W65 HydrophobicContact CG2-CE3 3.96Å; T61-W65 HydrophobicContact CG2-CZ3 4.44Å; T61-W65 PolarHBondContact O-N 2.97Å; W65-D67 VanDerWaalsContact C-N 3.29Å; W65-D67 PolarHBondContact O-N 2.82Å; W65-L68 HydrophobicContact CB-CB 4.16Å; W65-L68 HydrophobicContact CB-CD1 3.65Å; W65-L68 HydrophobicContact CB-CG 3.79Å; W65-L68 HydrophobicContact CD2-CD1 4.45Å; W65-L68 HydrophobicContact CG-CD1 3.65Å; W65-L68 HydrophobicContact CG-CG 4.26Å; W65-L68 PolarHBondContact O-N 3.43Å; W65-F103 HydrophobicContact CB-CD2 4.39Å; W65-F103 WeakPolarHBondContact O-CD2 3.45Å
66	P	94.5	Very high	93.1	Very high	13 Å²	13	37.9 Å²	37.9	8%	0.084	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.2	-173.9	22.8	-31.8	0	0	0	112.3	V62 T102 F103 W104 Y285	V62-P66 VanDerWaalsContact O-CA 3.3Å; V62-P66 WeakPolarHBondContact O-CA 3.49Å; V62-P66 WeakPolarHBondContact O-CB 3.5Å; V62-P66 VanDerWaalsContact O-CD 3.24Å; V62-P66 WeakPolarHBondContact O-CD 3.09Å; V62-P66 VanDerWaalsContact O-N 3.12Å; P66-T102 WeakPolarHBondContact O-CB 3.24Å; P66-F103 PolarHBondContact O-N 3.46Å; P66-W104 HydrophobicContact CB-CB 4.11Å; P66-W104 WeakPolarHBondContact O-CB 3.47Å; P66-W104 PolarHBondContact O-N 2.82Å; P66-Y285 HydrophobicContact CB-CE1 3.96Å; P66-Y285 HydrophobicContact CG-CE1 4.03Å; P66-Y285 WeakPolarHBondContact CG-OH 3.41Å
67	D	95.3	Very high	92.6	Very high	114 Å²	114	40.2 Å²	40.2	61%	0.61	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.5	-173.2	-50.9	-50.7	0	0	0	114	W65	W65-D67 VanDerWaalsContact C-N 3.29Å; W65-D67 PolarHBondContact O-N 2.82Å
68	L	95.3	Very high	91.9	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.152	22%	0.222	C	C	.	.	S	Bend	trans	-72.4	132.8	177.7	-69.3	-170	0	0	0	109.9	W65 A70 T102 F103 N342	W65-L68 HydrophobicContact CB-CB 4.16Å; W65-L68 HydrophobicContact CB-CD1 3.65Å; W65-L68 HydrophobicContact CB-CG 3.79Å; W65-L68 HydrophobicContact CD2-CD1 4.45Å; W65-L68 HydrophobicContact CG-CD1 3.65Å; W65-L68 HydrophobicContact CG-CG 4.26Å; W65-L68 PolarHBondContact O-N 3.43Å; L68-A70 PolarHBondContact O-N 3.48Å; L68-T102 CarbonylContact O-C 3.57Å; L68-T102 VanDerWaalsContact O-CA 3.24Å; L68-T102 WeakPolarHBondContact O-CA 3.34Å; L68-F103 HydrophobicContact CB-CD2 4.02Å; L68-F103 HydrophobicContact CB-CE2 4.2Å; L68-F103 WeakPolarHBondContact O-CD2 3.3Å; L68-F103 PolarHBondContact O-N 2.79Å; L68-N342 VanDerWaalsContact CD1-OD1 3.24Å; L68-N342 WeakPolarHBondContact CD1-OD1 3.1Å; L68-N342 WeakPolarHBondContact CD2-OD1 3.05Å
69	P	96.1	Very high	91.3	Very high	33 Å²	33	47.9 Å²	47.9	21%	0.214	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	130.5	167.9	-19.3	28.5	0	0	0	109.3	W100 R370	P69-W100 HydrophobicContact CB-CB 3.87Å; P69-W100 HydrophobicContact CB-CD2 4.21Å; P69-W100 HydrophobicContact CB-CE3 4.18Å; P69-W100 HydrophobicContact CB-CG 4.1Å; P69-R370 WeakPolarHBondContact O-CB 3.29Å; P69-R370 WeakPolarHBondContact O-CD 3.41Å; P69-R370 WeakPolarHBondContact O-CG 3.4Å; P69-R370 PolarHBondContact O-NE 2.77Å
70	A	95.6	Very high	90.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-55.6	-167.4	0	0	0	0	0	111.8	L68 E101 F103 R370 I371	L68-A70 PolarHBondContact O-N 3.48Å; A70-E101 WeakPolarHBondContact CA-O 3.46Å; A70-E101 WeakPolarHBondContact CB-O 3.24Å; A70-E101 PolarHBondContact N-O 3.49Å; A70-F103 HydrophobicContact CB-CB 4.3Å; A70-F103 HydrophobicContact CB-CD1 3.56Å; A70-F103 HydrophobicContact CB-CD2 3.61Å; A70-F103 HydrophobicContact CB-CE1 3.6Å; A70-F103 HydrophobicContact CB-CE2 3.65Å; A70-F103 HydrophobicContact CB-CG 3.56Å; A70-F103 HydrophobicContact CB-CZ 3.64Å; A70-R370 CarbonylContact O-C 3.53Å; A70-R370 WeakPolarHBondContact O-CA 3.22Å; A70-I371 PolarHBondContact O-N 2.73Å
71	F	95.8	Very high	90.1	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	110.5	-173.7	-55.5	-83.6	0	0	0	110.2	W58 E101 F103 A106 A139 M142 F143 V365 I371 Y373	W58-F71 HydrophobicContact CH2-CE1 4.44Å; W58-F71 AromaticContact CH2-CE2 3.47Å; W58-F71 HydrophobicContact CH2-CE2 3.47Å; W58-F71 VanDerWaalsContact CH2-CE2 3.47Å; W58-F71 AromaticContact CH2-CZ 3.38Å; W58-F71 HydrophobicContact CH2-CZ 3.38Å; W58-F71 HydrophobicContact CZ2-CE2 4.34Å; W58-F71 HydrophobicContact CZ3-CE1 4.36Å; W58-F71 HydrophobicContact CZ3-CE2 4.01Å; W58-F71 AromaticContact CZ3-CZ 3.43Å; W58-F71 HydrophobicContact CZ3-CZ 3.43Å; W58-F71 VanDerWaalsContact CZ3-CZ 3.43Å; F71-E101 HydrophobicContact CB-CB 4.42Å; F71-E101 PolarHBondContact N-O 3.32Å; F71-E101 VanDerWaalsContact N-O 3.13Å; F71-E101 PolarHBondContact O-N 3.02Å; F71-F103 HydrophobicContact CE2-CD1 4.27Å; F71-F103 HydrophobicContact CE2-CE1 4.31Å; F71-F103 HydrophobicContact CZ-CE1 4.44Å; F71-A106 HydrophobicContact CD2-CB 3.53Å; F71-A106 HydrophobicContact CE2-CB 3.51Å; F71-A139 HydrophobicContact CB-CB 4.18Å; F71-M142 HydrophobicContact CE1-CG 4.32Å; F71-F143 HydrophobicContact CB-CZ 4.2Å; F71-F143 HydrophobicContact CD1-CE1 4.28Å; F71-F143 AromaticContact CD2-CE1 3.76Å; F71-F143 HydrophobicContact CD2-CE1 3.76Å; F71-F143 AromaticContact CD2-CZ 3.98Å; F71-F143 HydrophobicContact CD2-CZ 3.98Å; F71-F143 HydrophobicContact CE1-CE1 4.42Å; F71-F143 AromaticContact CE2-CE1 3.94Å; F71-F143 HydrophobicContact CE2-CE1 3.94Å; F71-F143 AromaticContact CG-CE1 3.95Å; F71-F143 HydrophobicContact CG-CE1 3.95Å; F71-F143 HydrophobicContact CG-CZ 4.02Å; F71-F143 HydrophobicContact CZ-CE1 4.27Å; F71-V365 HydrophobicContact CE1-CG2 4.28Å; F71-V365 HydrophobicContact CZ-CG2 4.05Å; F71-I371 HydrophobicContact CD1-CD1 4.46Å; F71-I371 HydrophobicContact CE1-CD1 4.06Å; F71-Y373 HydrophobicContact CB-CE2 4.22Å; F71-Y373 AromaticContact CD1-CE2 3.82Å; F71-Y373 HydrophobicContact CD1-CE2 3.82Å; F71-Y373 HydrophobicContact CG-CE2 4.49Å
72	G	94.9	Very high	89.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.9	-177.6	0	0	0	0	0	111.4	S99 W100 I371 Y373	G72-S99 WeakPolarHBondContact CA-O 3Å; G72-W100 VanDerWaalsContact CA-CE3 3.41Å; G72-W100 VanDerWaalsContact N-CE3 3.3Å; G72-I371 PolarHBondContact N-O 2.9Å; G72-Y373 PolarHBondContact O-N 2.78Å
73	T	91.7	Very high	88.3	Confident	22 Å²	22	59 Å²	59	14%	0.135	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.7	175.3	58.4	0	0	0	0	110.8	Y98 S99 A139 Y373	T73-Y98 WeakPolarHBondContact O-CA 3.37Å; T73-S99 PolarHBondContact N-O 3.43Å; T73-S99 PolarHBondContact O-N 3.47Å; T73-A139 HydrophobicContact CG2-CB 4.12Å; T73-Y373 HydrophobicContact CG2-CD2 4.17Å
74	R	87.6	Confident	86.7	Confident	29 Å²	29	51.5 Å²	51.5	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.3	179.4	-63.3	-178.9	72.9	-176.4	2.7	110.7	L95 G96 Y98 L392 D394	R74-L95 VanDerWaalsContact NH2-CB 3.28Å; R74-L95 PolarHBondContact NH2-O 2.96Å; R74-G96 VanDerWaalsContact CZ-O 3.28Å; R74-G96 PolarHBondContact NE-O 2.93Å; R74-G96 PolarHBondContact NH2-O 3.16Å; R74-Y98 HydrophobicContact CG-CD1 3.92Å; R74-Y98 HydrophobicContact CG-CD2 3.81Å; R74-Y98 HydrophobicContact CG-CE1 3.89Å; R74-Y98 HydrophobicContact CG-CE2 3.78Å; R74-Y98 HydrophobicContact CG-CG 3.88Å; R74-L392 PolarHBondContact NH1-O 2.84Å; R74-L392 PolarHBondContact NH2-O 3.07Å; R74-L392 VanDerWaalsContact NH2-O 3.16Å; R74-D394 WeakPolarHBondContact CD-OD1 3.34Å; R74-D394 IonicContact CZ-OD1 2.82Å; R74-D394 IonicContact NE-OD1 3.9Å; R74-D394 IonicContact NH1-OD1 3.31Å; R74-D394 PolarHBondContact NH1-OD1 2.92Å
75	A	82.7	Confident	84.9	Confident	13 Å²	13	50.8 Å²	50.8	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.3	171.9	0	0	0	0	0	110.6	L77 L95 G96 V209	A75-L77 HydrophobicContact CB-CD2 4.08Å; A75-L77 PolarHBondContact O-N 2.78Å; A75-L95 WeakPolarHBondContact O-CA 3.36Å; A75-G96 PolarHBondContact O-N 2.81Å; A75-V209 VanDerWaalsContact CA-CG2 3.45Å; A75-V209 HydrophobicContact CB-CB 4.15Å; A75-V209 HydrophobicContact CB-CG2 3.64Å
76	V	81.2	Confident	83.2	Confident	25 Å²	25	50.4 Å²	50.4	15%	0.152	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	105.8	164.7	-178.3	0	0	0	0	107.4	L93 L95 A222 V223	V76-L93 HydrophobicContact CG1-CD2 4.08Å; V76-L95 HydrophobicContact CG2-CD2 3.89Å; V76-A222 WeakPolarHBondContact O-CA 3.43Å; V76-V223 PolarHBondContact O-N 2.86Å
77	L	83.8	Confident	81.4	Confident	91 Å²	91	53.2 Å²	53.2	48%	0.476	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-34.1	-179.2	-57.9	-179.6	0	0	0	111.5	A75 T94	A75-L77 HydrophobicContact CB-CD2 4.08Å; A75-L77 PolarHBondContact O-N 2.78Å; L77-T94 WeakPolarHBondContact CB-O 3.33Å; L77-T94 PolarHBondContact N-O 2.95Å
78	R	81	Confident	79.8	Confident	138 Å²	138	56.1 Å²	56.1	52%	0.521	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	143.1	179.9	-176.6	175.7	168.6	156.8	2.1	111.1	D80 T94	R78-D80 IonicContact CZ-OD1 4Å; R78-D80 IonicContact CZ-OD2 2.77Å; R78-D80 IonicContact NE-OD1 3.21Å; R78-D80 PolarHBondContact NE-OD1 3.32Å; R78-D80 IonicContact NE-OD2 3.97Å; R78-D80 PolarHBondContact NE-OD2 3.05Å; R78-D80 VanDerWaalsContact NE-OD2 3.16Å; R78-D80 IonicContact NH2-OD1 2.66Å; R78-D80 PolarHBondContact NH2-OD1 3.43Å; R78-T94 PolarHBondContact N-O 3.17Å; R78-T94 PolarHBondContact O-N 2.85Å
79	T	83.5	Confident	78.6	Confident	23 Å²	23	60.8 Å²	60.8	14%	0.141	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.5	170.5	-55.3	0	0	0	0	108.8	Y81 I91 L93	T79-Y81 HydrophobicContact CG2-CE1 4.3Å; T79-Y81 HydrophobicContact CG2-CE2 3.82Å; T79-I91 HydrophobicContact CG2-CG2 3.61Å; T79-L93 HydrophobicContact CG2-CD2 3.93Å
80	D	82.6	Confident	77.5	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.5	174.3	-68.5	-71	0	0	0	109.6	R78 E92 K387	R78-D80 IonicContact CZ-OD1 4Å; R78-D80 IonicContact CZ-OD2 2.77Å; R78-D80 IonicContact NE-OD1 3.21Å; R78-D80 PolarHBondContact NE-OD1 3.32Å; R78-D80 IonicContact NE-OD2 3.97Å; R78-D80 PolarHBondContact NE-OD2 3.05Å; R78-D80 VanDerWaalsContact NE-OD2 3.16Å; R78-D80 IonicContact NH2-OD1 2.66Å; R78-D80 PolarHBondContact NH2-OD1 3.43Å; D80-E92 HydrophobicContact CB-CB 4.45Å; D80-E92 PolarHBondContact N-O 2.99Å; D80-E92 PolarHBondContact O-N 3.04Å; D80-K387 IonicContact OD1-NZ 3.84Å; D80-K387 WeakPolarHBondContact OD2-CD 3.35Å; D80-K387 VanDerWaalsContact OD2-CE 3.32Å; D80-K387 WeakPolarHBondContact OD2-CE 3.36Å; D80-K387 IonicContact OD2-NZ 3.46Å; D80-K387 PolarHBondContact OD2-NZ 3.1Å
81	Y	82.6	Confident	76.8	Confident	89 Å²	89	65.1 Å²	65.1	35%	0.349	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.9	178.5	-63	-87.1	0	0	0	109.1	T79 Q89 I91 G226 S227	T79-Y81 HydrophobicContact CG2-CE1 4.3Å; T79-Y81 HydrophobicContact CG2-CE2 3.82Å; Y81-Q89 HydrophobicContact CD1-CB 4.05Å; Y81-I91 HydrophobicContact CD1-CG1 4.07Å; Y81-I91 HydrophobicContact CE1-CD1 4.19Å; Y81-I91 HydrophobicContact CE1-CG1 3.91Å; Y81-G226 WeakPolarHBondContact OH-CA 3.27Å; Y81-G226 PolarHBondContact OH-N 2.93Å; Y81-S227 PolarHBondContact OH-N 3.3Å
82	R	75.5	Confident	76.3	Confident	126 Å²	126	65.7 Å²	65.7	48%	0.475	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.3	171.6	-69.7	-172.4	176	172.7	-3.3	109.4	S84 Q89 M90 E92	R82-S84 PolarHBondContact O-N 2.77Å; R82-Q89 CarbonylContact O-C 3.17Å; R82-Q89 WeakPolarHBondContact O-CA 3.5Å; R82-M90 HydrophobicContact CB-CB 4.49Å; R82-M90 PolarHBondContact N-O 3.38Å; R82-M90 PolarHBondContact O-N 2.96Å; R82-E92 WeakPolarHBondContact CD-OE1 3.39Å; R82-E92 VanDerWaalsContact CZ-CD 3.43Å; R82-E92 IonicContact CZ-OE1 3.6Å; R82-E92 IonicContact CZ-OE2 2.7Å; R82-E92 IonicContact NE-OE1 3.79Å; R82-E92 PolarHBondContact NE-OE1 3.21Å; R82-E92 IonicContact NE-OE2 3.52Å; R82-E92 PolarHBondContact NE-OE2 3.26Å; R82-E92 IonicContact NH1-OE1 2.79Å; R82-E92 PolarHBondContact NH1-OE1 3.1Å; R82-E92 IonicContact NH1-OE2 2.75Å; R82-E92 PolarHBondContact NH1-OE2 3.48Å; R82-E92 IonicContact NH2-OE2 3.16Å; R82-E92 PolarHBondContact NH2-OE2 2.86Å
83	P	73.8	Confident	75.9	Confident	122 Å²	122	66.5 Å²	66.5	79%	0.792	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	123.3	169.3	25.6	-30.8	0	0	0	108.9
84	S	61.1	Low	75.7	Confident	21 Å²	21	66.5 Å²	66.5	15%	0.147	34%	0.341	C	S	.	.			trans	-86.8	158.7	166.5	48.6	0	0	0	0	110.6	R82 D86 G87 R88	R82-S84 PolarHBondContact O-N 2.77Å; S84-D86 VanDerWaalsContact CB-OD1 3.24Å; S84-D86 WeakPolarHBondContact CB-OD1 3.3Å; S84-D86 PolarHBondContact O-N 3.39Å; S84-D86 PolarHBondContact OG-OD1 3.33Å; S84-G87 PolarHBondContact O-N 3.46Å; S84-G87 VanDerWaalsContact O-N 3.08Å; S84-R88 PolarHBondContact N-O 3.12Å; S84-R88 PolarHBondContact OG-O 2.91Å
85	P	54.2	Low	75.7	Confident	75 Å²	75	65.9 Å²	65.9	49%	0.487	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.5	-177	-26.3	35.9	0	0	0	114.6	G87 D681 I683	P85-G87 PolarHBondContact O-N 3.28Å; P85-D681 HydrophobicContact CB-CB 4.47Å; P85-D681 WeakPolarHBondContact CB-OD1 3.39Å; P85-I683 HydrophobicContact CB-CD1 4.47Å
86	D	58.8	Low	76	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	8	177.5	63	-9.1	0	0	0	114.5	S84 R88 I683	S84-D86 VanDerWaalsContact CB-OD1 3.24Å; S84-D86 WeakPolarHBondContact CB-OD1 3.3Å; S84-D86 PolarHBondContact O-N 3.39Å; S84-D86 PolarHBondContact OG-OD1 3.33Å; D86-R88 PolarHBondContact O-N 3.05Å; D86-R88 WeakPolarHBondContact OD1-CB 3.36Å; D86-R88 PolarHBondContact OD1-N 3.01Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 VanDerWaalsContact OD2-CD 3.3Å; D86-R88 WeakPolarHBondContact OD2-CD 3.29Å; D86-R88 WeakPolarHBondContact OD2-CG 3.45Å; D86-R88 IonicContact OD2-NE 3.98Å; D86-I683 HydrophobicContact CB-CD1 3.8Å
87	G	55.6	Low	76.5	Confident	72 Å²	72	71.2 Å²	71.2	74%	0.742	36%	0.364	S	S	*	.	S	Bend	trans	74.1	-1.1	-176.1	0	0	0	0	0	114.3	S84 P85	S84-G87 PolarHBondContact O-N 3.46Å; S84-G87 VanDerWaalsContact O-N 3.08Å; P85-G87 PolarHBondContact O-N 3.28Å
88	R	63.3	Low	76.8	Confident	174 Å²	174	68.1 Å²	68.1	66%	0.657	35%	0.346	S	S	*	.	S	Bend	trans	-75.7	164.9	169.2	-60.3	-175.9	178.1	172.2	-3.5	109.4	S84 D86	S84-R88 PolarHBondContact N-O 3.12Å; S84-R88 PolarHBondContact OG-O 2.91Å; D86-R88 PolarHBondContact O-N 3.05Å; D86-R88 WeakPolarHBondContact OD1-CB 3.36Å; D86-R88 PolarHBondContact OD1-N 3.01Å; D86-R88 VanDerWaalsContact OD1-N 3.07Å; D86-R88 VanDerWaalsContact OD2-CD 3.3Å; D86-R88 WeakPolarHBondContact OD2-CD 3.29Å; D86-R88 WeakPolarHBondContact OD2-CG 3.45Å; D86-R88 IonicContact OD2-NE 3.98Å
89	Q	69.1	Low	77.3	Confident	128 Å²	128	63.6 Å²	63.6	60%	0.598	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.1	170.4	-67.3	-173.8	-12.4	0	0	108.3	Y81 R82 I91	Y81-Q89 HydrophobicContact CD1-CB 4.05Å; R82-Q89 CarbonylContact O-C 3.17Å; R82-Q89 WeakPolarHBondContact O-CA 3.5Å; Q89-I91 PolarHBondContact O-N 3.49Å
90	M	73	Confident	77.8	Confident	89 Å²	89	65.9 Å²	65.9	44%	0.438	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.3	166.9	-177.3	172.9	-81.4	0	0	108.7	R82	R82-M90 HydrophobicContact CB-CB 4.49Å; R82-M90 PolarHBondContact N-O 3.38Å; R82-M90 PolarHBondContact O-N 2.96Å
91	I	81	Confident	78.3	Confident	36 Å²	36	64.7 Å²	64.7	19%	0.185	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	122.7	-178.5	-57.6	177.1	0	0	0	108.6	T79 Y81 Q89 L93 R385	T79-I91 HydrophobicContact CG2-CG2 3.61Å; Y81-I91 HydrophobicContact CD1-CG1 4.07Å; Y81-I91 HydrophobicContact CE1-CD1 4.19Å; Y81-I91 HydrophobicContact CE1-CG1 3.91Å; Q89-I91 PolarHBondContact O-N 3.49Å; I91-L93 HydrophobicContact CG2-CD2 3.82Å; I91-L93 HydrophobicContact CG2-CG 4.37Å; I91-R385 WeakPolarHBondContact O-CA 3.46Å
92	E	85.8	Confident	78.9	Confident	13 Å²	13	62 Å²	62	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.7	170.1	-68.2	-176.9	167.8	0	0	109.6	D80 R82 K387	D80-E92 HydrophobicContact CB-CB 4.45Å; D80-E92 PolarHBondContact N-O 2.99Å; D80-E92 PolarHBondContact O-N 3.04Å; R82-E92 WeakPolarHBondContact CD-OE1 3.39Å; R82-E92 VanDerWaalsContact CZ-CD 3.43Å; R82-E92 IonicContact CZ-OE1 3.6Å; R82-E92 IonicContact CZ-OE2 2.7Å; R82-E92 IonicContact NE-OE1 3.79Å; R82-E92 PolarHBondContact NE-OE1 3.21Å; R82-E92 IonicContact NE-OE2 3.52Å; R82-E92 PolarHBondContact NE-OE2 3.26Å; R82-E92 IonicContact NH1-OE1 2.79Å; R82-E92 PolarHBondContact NH1-OE1 3.1Å; R82-E92 IonicContact NH1-OE2 2.75Å; R82-E92 PolarHBondContact NH1-OE2 3.48Å; R82-E92 IonicContact NH2-OE2 3.16Å; R82-E92 PolarHBondContact NH2-OE2 2.86Å; E92-K387 HydrophobicContact CB-CB 4.11Å; E92-K387 HydrophobicContact CB-CG 4.34Å
93	L	85.5	Confident	79.8	Confident	17 Å²	17	56 Å²	56	9%	0.089	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137.1	-177.4	-57.1	177.9	0	0	0	109.8	V76 T79 I91 L95 T378 R385 K387 C391	V76-L93 HydrophobicContact CG1-CD2 4.08Å; T79-L93 HydrophobicContact CG2-CD2 3.93Å; I91-L93 HydrophobicContact CG2-CD2 3.82Å; I91-L93 HydrophobicContact CG2-CG 4.37Å; L93-L95 HydrophobicContact CB-CD2 4.05Å; L93-L95 HydrophobicContact CB-CG 4.16Å; L93-L95 HydrophobicContact CD1-CD2 4.29Å; L93-T378 HydrophobicContact CD1-CG2 4.35Å; L93-R385 WeakPolarHBondContact CB-O 3.43Å; L93-R385 HydrophobicContact CD1-CB 4.23Å; L93-R385 HydrophobicContact CG-CB 4.32Å; L93-R385 PolarHBondContact N-O 3.29Å; L93-K387 WeakPolarHBondContact O-CB 3.49Å; L93-K387 PolarHBondContact O-N 3.04Å; L93-K387 VanDerWaalsContact O-N 3.11Å; L93-C391 PolarHBondContact O-SG 3.42Å
94	T	88.8	Confident	80.8	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.129	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.9	160.5	-50.8	0	0	0	0	107.4	L77 R78 C391	L77-T94 WeakPolarHBondContact CB-O 3.33Å; L77-T94 PolarHBondContact N-O 2.95Å; R78-T94 PolarHBondContact N-O 3.17Å; R78-T94 PolarHBondContact O-N 2.85Å; T94-C391 HydrophobicContact CG2-CB 4.49Å
95	L	87.8	Confident	82.4	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.2	-177.6	-62.1	176.3	0	0	0	110.5	R74 A75 V76 L93 T378 I386 C391	R74-L95 VanDerWaalsContact NH2-CB 3.28Å; R74-L95 PolarHBondContact NH2-O 2.96Å; A75-L95 WeakPolarHBondContact O-CA 3.36Å; V76-L95 HydrophobicContact CG2-CD2 3.89Å; L93-L95 HydrophobicContact CB-CD2 4.05Å; L93-L95 HydrophobicContact CB-CG 4.16Å; L93-L95 HydrophobicContact CD1-CD2 4.29Å; L95-T378 HydrophobicContact CD1-CG2 4Å; L95-I386 HydrophobicContact CD1-CD1 3.79Å; L95-C391 PolarHBondContact N-SG 3.14Å; L95-C391 WeakPolarHBondContact O-CB 3.26Å
96	G	88.1	Confident	84.3	Confident	11 Å²	11	49.2 Å²	49.2	11%	0.113	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-166.3	174.7	0	0	0	0	0	113.3	R74 A75	R74-G96 VanDerWaalsContact CZ-O 3.28Å; R74-G96 PolarHBondContact NE-O 2.93Å; R74-G96 PolarHBondContact NH2-O 3.16Å; A75-G96 PolarHBondContact O-N 2.81Å
97	E	90.6	Very high	86.1	Confident	139 Å²	139	46 Å²	46	65%	0.65	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	164.5	172.3	-68.2	-61.2	141.2	0	0	111.9	S99 L397	E97-S99 PolarHBondContact O-N 3.31Å; E97-L397 WeakPolarHBondContact OE2-CD1 3.21Å
98	Y	91.5	Very high	87.9	Confident	26 Å²	26	45 Å²	45	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.7	171.1	-89	-85.2	0	0	0	110.7	T73 R74 Y373 D394 L397 L398	T73-Y98 WeakPolarHBondContact O-CA 3.37Å; R74-Y98 HydrophobicContact CG-CD1 3.92Å; R74-Y98 HydrophobicContact CG-CD2 3.81Å; R74-Y98 HydrophobicContact CG-CE1 3.89Å; R74-Y98 HydrophobicContact CG-CE2 3.78Å; R74-Y98 HydrophobicContact CG-CG 3.88Å; Y98-Y373 WeakPolarHBondContact CE1-O 3.39Å; Y98-Y373 PolarHBondContact OH-O 3.14Å; Y98-D394 WeakPolarHBondContact OH-CB 3.44Å; Y98-L397 HydrophobicContact CD2-CD2 3.91Å; Y98-L397 HydrophobicContact CD2-CG 4.27Å; Y98-L397 HydrophobicContact CE2-CD2 4.32Å; Y98-L398 HydrophobicContact CD1-CD1 4.37Å; Y98-L398 HydrophobicContact CD2-CB 4.37Å; Y98-L398 HydrophobicContact CD2-CD1 4.08Å; Y98-L398 HydrophobicContact CE1-CD1 4.27Å; Y98-L398 HydrophobicContact CE2-CB 3.75Å; Y98-L398 HydrophobicContact CE2-CD1 3.96Å; Y98-L398 HydrophobicContact CE2-CG 4.31Å; Y98-L398 HydrophobicContact CG-CD1 4.29Å
99	S	90.9	Very high	89.4	Confident	43 Å²	43	37.4 Å²	37.4	30%	0.301	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.6	165.3	-177.4	0	0	0	0	109.2	G72 T73 E97	G72-S99 WeakPolarHBondContact CA-O 3Å; T73-S99 PolarHBondContact N-O 3.43Å; T73-S99 PolarHBondContact O-N 3.47Å; E97-S99 PolarHBondContact O-N 3.31Å
100	W	93.9	Very high	90.7	Very high	71 Å²	71	31.3 Å²	31.3	27%	0.269	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.1	-174.2	-67	87.9	0	0	0	111.8	P69 G72 R212 I345 R370 I371 L398	P69-W100 HydrophobicContact CB-CB 3.87Å; P69-W100 HydrophobicContact CB-CD2 4.21Å; P69-W100 HydrophobicContact CB-CE3 4.18Å; P69-W100 HydrophobicContact CB-CG 4.1Å; G72-W100 VanDerWaalsContact CA-CE3 3.41Å; G72-W100 VanDerWaalsContact N-CE3 3.3Å; W100-R212 PolarHBondContact O-NH1 3.46Å; W100-R212 VanDerWaalsContact O-NH1 3.12Å; W100-I345 HydrophobicContact CH2-CG2 4.22Å; W100-R370 HydrophobicContact CE3-CB 4.21Å; W100-R370 HydrophobicContact CH2-CB 3.91Å; W100-R370 HydrophobicContact CZ3-CB 3.47Å; W100-R370 VanDerWaalsContact CZ3-CB 3.47Å; W100-I371 WeakPolarHBondContact CZ3-O 3.45Å; W100-L398 HydrophobicContact CH2-CD1 3.8Å; W100-L398 HydrophobicContact CZ2-CD1 3.56Å
101	E	93	Very high	91.8	Very high	2 Å²	2	27 Å²	27	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134	162.9	-72	179.5	-115.1	0	0	108.8	A70 F71 D105 R109 R212	A70-E101 WeakPolarHBondContact CA-O 3.46Å; A70-E101 WeakPolarHBondContact CB-O 3.24Å; A70-E101 PolarHBondContact N-O 3.49Å; F71-E101 HydrophobicContact CB-CB 4.42Å; F71-E101 PolarHBondContact N-O 3.32Å; F71-E101 VanDerWaalsContact N-O 3.13Å; F71-E101 PolarHBondContact O-N 3.02Å; E101-D105 HydrophobicContact CB-CB 4.04Å; E101-D105 HydrophobicContact CG-CB 4.3Å; E101-R109 IonicContact OE1-NH1 3.8Å; E101-R109 PolarHBondContact OE1-NH1 2.79Å; E101-R109 WeakPolarHBondContact OE2-CD 3.17Å; E101-R109 IonicContact OE2-NH1 2.9Å; E101-R212 VanDerWaalsContact CD-CZ 3.47Å; E101-R212 IonicContact OE1-CZ 2.78Å; E101-R212 IonicContact OE1-NH2 3.89Å; E101-R212 PolarHBondContact OE1-NH2 3.46Å; E101-R212 IonicContact OE2-NH2 2.99Å
102	T	95.6	Very high	92.5	Very high	31 Å²	31	26.5 Å²	26.5	19%	0.19	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	164.3	167.1	63.1	0	0	0	0	110.5	P66 L68 W104 D105 A106	P66-T102 WeakPolarHBondContact O-CB 3.24Å; L68-T102 CarbonylContact O-C 3.57Å; L68-T102 VanDerWaalsContact O-CA 3.24Å; L68-T102 WeakPolarHBondContact O-CA 3.34Å; T102-W104 PolarHBondContact O-N 3.38Å; T102-D105 PolarHBondContact N-OD2 2.82Å; T102-D105 VanDerWaalsContact N-OD2 3.15Å; T102-D105 PolarHBondContact O-N 3.16Å; T102-D105 VanDerWaalsContact OG1-CG 3.24Å; T102-D105 PolarHBondContact OG1-N 3.07Å; T102-D105 PolarHBondContact OG1-OD2 3.12Å; T102-A106 PolarHBondContact O-N 3.13Å
103	F	95.4	Very high	93	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-33	171	-78.3	-72.8	0	0	0	111.6	T61 V62 W65 P66 L68 A70 F71 E107 V365	T61-F103 HydrophobicContact CG2-CD1 3.62Å; T61-F103 HydrophobicContact CG2-CD2 4.25Å; T61-F103 HydrophobicContact CG2-CE1 3.47Å; T61-F103 VanDerWaalsContact CG2-CE1 3.47Å; T61-F103 HydrophobicContact CG2-CE2 4.12Å; T61-F103 HydrophobicContact CG2-CG 4.03Å; T61-F103 HydrophobicContact CG2-CZ 3.74Å; V62-F103 HydrophobicContact CG2-CB 4.3Å; W65-F103 HydrophobicContact CB-CD2 4.39Å; W65-F103 WeakPolarHBondContact O-CD2 3.45Å; P66-F103 PolarHBondContact O-N 3.46Å; L68-F103 HydrophobicContact CB-CD2 4.02Å; L68-F103 HydrophobicContact CB-CE2 4.2Å; L68-F103 WeakPolarHBondContact O-CD2 3.3Å; L68-F103 PolarHBondContact O-N 2.79Å; A70-F103 HydrophobicContact CB-CB 4.3Å; A70-F103 HydrophobicContact CB-CD1 3.56Å; A70-F103 HydrophobicContact CB-CD2 3.61Å; A70-F103 HydrophobicContact CB-CE1 3.6Å; A70-F103 HydrophobicContact CB-CE2 3.65Å; A70-F103 HydrophobicContact CB-CG 3.56Å; A70-F103 HydrophobicContact CB-CZ 3.64Å; F71-F103 HydrophobicContact CE2-CD1 4.27Å; F71-F103 HydrophobicContact CE2-CE1 4.31Å; F71-F103 HydrophobicContact CZ-CE1 4.44Å; F103-E107 WeakPolarHBondContact O-CB 3.32Å; F103-E107 PolarHBondContact O-N 3.08Å; F103-V365 HydrophobicContact CE1-CG1 4.49Å
104	W	94.4	Very high	93.5	Very high	44 Å²	44	25 Å²	25	17%	0.167	12%	0.121	C	C	.	.	H	α-helix	trans	-66.6	-44.6	175	-175.2	-112.2	0	0	0	113.2	V62 P66 T102 A106 E107 R108 Y285 E286 L288	V62-W104 HydrophobicContact CG1-CE3 3.98Å; V62-W104 HydrophobicContact CG1-CZ3 4.44Å; P66-W104 HydrophobicContact CB-CB 4.11Å; P66-W104 WeakPolarHBondContact O-CB 3.47Å; P66-W104 PolarHBondContact O-N 2.82Å; T102-W104 PolarHBondContact O-N 3.38Å; W104-A106 VanDerWaalsContact C-N 3.33Å; W104-A106 PolarHBondContact O-N 3.07Å; W104-E107 PolarHBondContact O-N 3.27Å; W104-R108 PolarHBondContact O-N 3.09Å; W104-Y285 AromaticContact CD2-CD1 3.99Å; W104-Y285 HydrophobicContact CD2-CD1 3.99Å; W104-Y285 AromaticContact CE3-CD1 3.77Å; W104-Y285 HydrophobicContact CE3-CD1 3.77Å; W104-Y285 HydrophobicContact CE3-CE1 4.42Å; W104-Y285 AromaticContact CH2-CD1 3.75Å; W104-Y285 HydrophobicContact CH2-CD1 3.75Å; W104-Y285 HydrophobicContact CH2-CG 4.01Å; W104-Y285 AromaticContact CZ2-CD1 3.87Å; W104-Y285 HydrophobicContact CZ2-CD1 3.87Å; W104-Y285 HydrophobicContact CZ2-CG 4.43Å; W104-Y285 AromaticContact CZ3-CD1 3.67Å; W104-Y285 HydrophobicContact CZ3-CD1 3.67Å; W104-Y285 HydrophobicContact CZ3-CG 4.06Å; W104-E286 WeakPolarHBondContact CZ2-O 3.48Å; W104-L288 HydrophobicContact CZ3-CD2 4.38Å
105	D	94	Very high	93.8	Very high	30 Å²	30	24 Å²	24	16%	0.16	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-44.5	175.5	-67.9	-53.8	0	0	0	111.6	E101 T102 R108 R109	E101-D105 HydrophobicContact CB-CB 4.04Å; E101-D105 HydrophobicContact CG-CB 4.3Å; T102-D105 PolarHBondContact N-OD2 2.82Å; T102-D105 VanDerWaalsContact N-OD2 3.15Å; T102-D105 PolarHBondContact O-N 3.16Å; T102-D105 VanDerWaalsContact OG1-CG 3.24Å; T102-D105 PolarHBondContact OG1-N 3.07Å; T102-D105 PolarHBondContact OG1-OD2 3.12Å; D105-R108 WeakPolarHBondContact O-CB 3.2Å; D105-R108 PolarHBondContact O-N 3.5Å; D105-R108 IonicContact OD1-CZ 3.93Å; D105-R108 IonicContact OD1-NH1 3.15Å; D105-R108 PolarHBondContact OD1-NH1 3.04Å; D105-R108 IonicContact OD1-NH2 2.73Å; D105-R108 PolarHBondContact OD1-NH2 3.39Å; D105-R109 PolarHBondContact O-N 2.89Å
106	A	94.7	Very high	94.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63	-43.3	177.4	0	0	0	0	0	111.9	W58 F71 T102 W104 R108 R109 V110 F143	W58-A106 HydrophobicContact CH2-CB 4Å; W58-A106 HydrophobicContact CZ2-CB 3.83Å; F71-A106 HydrophobicContact CD2-CB 3.53Å; F71-A106 HydrophobicContact CE2-CB 3.51Å; T102-A106 PolarHBondContact O-N 3.13Å; W104-A106 VanDerWaalsContact C-N 3.33Å; W104-A106 PolarHBondContact O-N 3.07Å; A106-R108 PolarHBondContact O-N 3.49Å; A106-R109 PolarHBondContact O-N 2.91Å; A106-V110 WeakPolarHBondContact O-CG2 3.43Å; A106-V110 PolarHBondContact O-N 3.07Å; A106-F143 HydrophobicContact CB-CD1 4.48Å; A106-F143 HydrophobicContact CB-CE1 3.66Å; A106-F143 HydrophobicContact CB-CZ 3.87Å
107	E	95.8	Very high	94.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-41.4	175.5	171.6	53.9	-148.7	0	0	112.5	W58 V62 F103 W104 R109 V110 S111 R150 L288	W58-E107 PolarHBondContact NE1-OE2 3.41Å; V62-E107 HydrophobicContact CB-CB 4.46Å; V62-E107 HydrophobicContact CG1-CB 3.81Å; V62-E107 HydrophobicContact CG1-CG 4.01Å; V62-E107 HydrophobicContact CG2-CB 3.86Å; V62-E107 HydrophobicContact CG2-CG 4.42Å; F103-E107 WeakPolarHBondContact O-CB 3.32Å; F103-E107 PolarHBondContact O-N 3.08Å; W104-E107 PolarHBondContact O-N 3.27Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.87Å; E107-V110 PolarHBondContact O-N 2.93Å; E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 3.2Å; E107-S111 PolarHBondContact OE1-OG 3.14Å; E107-R150 VanDerWaalsContact CD-NH2 3.32Å; E107-R150 IonicContact OE1-CZ 3.42Å; E107-R150 IonicContact OE1-NH1 3.35Å; E107-R150 PolarHBondContact OE1-NH1 3.25Å; E107-R150 IonicContact OE1-NH2 3.08Å; E107-R150 PolarHBondContact OE1-NH2 2.91Å; E107-R150 IonicContact OE2-CZ 2.84Å; E107-R150 IonicContact OE2-NH1 2.72Å; E107-R150 IonicContact OE2-NH2 3.73Å; E107-R150 PolarHBondContact OE2-NH2 3.49Å; E107-L288 HydrophobicContact CG-CD2 3.38Å; E107-L288 WeakPolarHBondContact OE1-CD2 3.1Å
108	R	94.6	Very high	94.8	Very high	52 Å²	52	19 Å²	19	20%	0.196	9%	0.086	C	C	.	.	H	α-helix	trans	-56	-45.6	175.7	-177.1	176.6	66.7	-119	-4.2	110.6	W104 D105 A106 S111 H112	W104-R108 PolarHBondContact O-N 3.09Å; D105-R108 WeakPolarHBondContact O-CB 3.2Å; D105-R108 PolarHBondContact O-N 3.5Å; D105-R108 IonicContact OD1-CZ 3.93Å; D105-R108 IonicContact OD1-NH1 3.15Å; D105-R108 PolarHBondContact OD1-NH1 3.04Å; D105-R108 IonicContact OD1-NH2 2.73Å; D105-R108 PolarHBondContact OD1-NH2 3.39Å; A106-R108 PolarHBondContact O-N 3.49Å; R108-S111 PolarHBondContact O-N 2.59Å; R108-H112 WeakPolarHBondContact O-CB 3.48Å; R108-H112 PolarHBondContact O-CD2 3.47Å; R108-H112 VanDerWaalsContact O-CD2 3.27Å; R108-H112 PolarHBondContact O-N 3.29Å
109	R	94.1	Very high	94.9	Very high	14 Å²	14	20.8 Å²	20.8	5%	0.053	10%	0.102	C	C	.	.	H	α-helix	trans	-64.6	-45.5	176.6	-66.7	-173	67.5	-170.2	-5.1	112.6	E101 D105 A106 E107 S111 H112 L113 E140 F143 E252	E101-R109 IonicContact OE1-NH1 3.8Å; E101-R109 PolarHBondContact OE1-NH1 2.79Å; E101-R109 WeakPolarHBondContact OE2-CD 3.17Å; E101-R109 IonicContact OE2-NH1 2.9Å; D105-R109 PolarHBondContact O-N 2.89Å; A106-R109 PolarHBondContact O-N 2.91Å; E107-R109 VanDerWaalsContact C-N 3.26Å; E107-R109 PolarHBondContact O-N 2.87Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.3Å; R109-H112 PolarHBondContact O-N 3.36Å; R109-L113 VanDerWaalsContact O-CB 3.28Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 3.08Å; R109-E140 IonicContact NH1-OE1 2.87Å; R109-F143 HydrophobicContact CB-CD2 4.5Å; R109-E252 IonicContact CZ-OE1 3.02Å; R109-E252 IonicContact NE-OE1 3.93Å; R109-E252 PolarHBondContact NE-OE1 3.15Å; R109-E252 IonicContact NE-OE2 2.75Å; R109-E252 PolarHBondContact NE-OE2 3.35Å; R109-E252 IonicContact NH2-OE1 2.67Å; R109-E252 PolarHBondContact NH2-OE1 3.12Å
110	V	96.2	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-44	176.9	170.4	0	0	0	0	111.4	W58 A106 E107 L113 A114 F143 Q146	W58-V110 HydrophobicContact CH2-CG2 4.37Å; W58-V110 HydrophobicContact CZ2-CG2 3.79Å; A106-V110 WeakPolarHBondContact O-CG2 3.43Å; A106-V110 PolarHBondContact O-N 3.07Å; E107-V110 PolarHBondContact O-N 2.93Å; V110-L113 PolarHBondContact O-N 2.85Å; V110-A114 VanDerWaalsContact O-CB 3.22Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 2.69Å; V110-F143 HydrophobicContact CG2-CB 3.99Å; V110-F143 HydrophobicContact CG2-CD1 4.14Å; V110-F143 HydrophobicContact CG2-CG 4.31Å; V110-Q146 HydrophobicContact CG1-CB 3.8Å; V110-Q146 HydrophobicContact CG2-CB 3.94Å
111	S	96.3	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-46.5	176.2	-87	0	0	0	0	112.1	E107 R108 R109 A114 A115 R150 G287 W289	E107-S111 WeakPolarHBondContact O-CB 3.22Å; E107-S111 PolarHBondContact O-N 3.2Å; E107-S111 PolarHBondContact OE1-OG 3.14Å; R108-S111 PolarHBondContact O-N 2.59Å; R109-S111 VanDerWaalsContact C-N 3.34Å; R109-S111 PolarHBondContact O-N 3.3Å; S111-A114 PolarHBondContact O-N 3.28Å; S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 2.91Å; S111-R150 PolarHBondContact OG-NH1 3.12Å; S111-G287 WeakPolarHBondContact CB-O 3.12Å; S111-G287 PolarHBondContact OG-O 3.3Å; S111-W289 PolarHBondContact OG-N 3.31Å
112	H	95.6	Very high	94.8	Very high	24 Å²	24	19.3 Å²	19.3	11%	0.111	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-48.5	176.4	-72.6	-174.4	0	0	0	111.4	R108 R109 A114 A115 G116 Y215 E252 G255	R108-H112 WeakPolarHBondContact O-CB 3.48Å; R108-H112 PolarHBondContact O-CD2 3.47Å; R108-H112 VanDerWaalsContact O-CD2 3.27Å; R108-H112 PolarHBondContact O-N 3.29Å; R109-H112 PolarHBondContact O-N 3.36Å; H112-A114 PolarHBondContact O-N 3.36Å; H112-A115 PolarHBondContact O-N 2.91Å; H112-G116 PolarHBondContact O-N 3.04Å; H112-Y215 PolarHBondContact CE1-OH 2.84Å; H112-E252 HydrophobicContact CB-CB 4.04Å; H112-E252 HydrophobicContact CB-CG 4.35Å; H112-E252 WeakPolarHBondContact CB-O 3.36Å; H112-G255 VanDerWaalsContact O-CA 3.32Å; H112-G255 WeakPolarHBondContact O-CA 3.48Å
113	L	96.2	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-43.6	178.8	-176.2	58.2	0	0	0	111.7	R109 V110 G116 L117 A144 A147 F180 I248 V251 E252	R109-L113 VanDerWaalsContact O-CB 3.28Å; R109-L113 WeakPolarHBondContact O-CB 3.48Å; R109-L113 PolarHBondContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 2.85Å; L113-G116 PolarHBondContact O-N 2.74Å; L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.16Å; L113-L117 HydrophobicContact CG-CG 4.48Å; L113-L117 WeakPolarHBondContact O-CB 3.39Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.39Å; L113-A144 HydrophobicContact CD2-CB 4.22Å; L113-A147 HydrophobicContact CB-CB 4.07Å; L113-A147 HydrophobicContact CD2-CB 3.88Å; L113-A147 HydrophobicContact CG-CB 3.78Å; L113-F180 HydrophobicContact CD1-CE1 4.41Å; L113-F180 HydrophobicContact CD1-CZ 4.31Å; L113-F180 HydrophobicContact CD2-CZ 4.49Å; L113-I248 HydrophobicContact CD1-CG1 4Å; L113-I248 HydrophobicContact CD2-CD1 4.05Å; L113-I248 HydrophobicContact CD2-CG1 4.3Å; L113-V251 HydrophobicContact CD1-CB 4.03Å; L113-V251 HydrophobicContact CD1-CG1 3.75Å; L113-E252 HydrophobicContact CB-CG 4.09Å
114	A	96.2	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-44.4	178	0	0	0	0	0	112	V110 S111 H112 Y118 A147 R150 L151 W289	V110-A114 VanDerWaalsContact O-CB 3.22Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 2.69Å; S111-A114 PolarHBondContact O-N 3.28Å; H112-A114 PolarHBondContact O-N 3.36Å; A114-Y118 VanDerWaalsContact O-CB 3.29Å; A114-Y118 WeakPolarHBondContact O-CB 3.42Å; A114-Y118 PolarHBondContact O-N 3.46Å; A114-A147 HydrophobicContact CB-CB 4.01Å; A114-R150 HydrophobicContact CB-CB 4.5Å; A114-L151 HydrophobicContact CB-CG 4.41Å; A114-W289 HydrophobicContact CB-CE3 3.96Å; A114-W289 HydrophobicContact CB-CZ3 3.73Å
115	A	95.6	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-40.4	176.5	0	0	0	0	0	112.1	S111 H112 Y118 S119 V258 I259 W289	S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 2.91Å; H112-A115 PolarHBondContact O-N 2.91Å; A115-Y118 PolarHBondContact O-N 3.23Å; A115-S119 PolarHBondContact O-N 3.26Å; A115-V258 HydrophobicContact CB-CB 4.49Å; A115-V258 HydrophobicContact CB-CG1 4.49Å; A115-I259 HydrophobicContact CB-CD1 3.93Å; A115-I259 HydrophobicContact CB-CG1 3.91Å; A115-W289 HydrophobicContact CB-CD2 3.74Å; A115-W289 HydrophobicContact CB-CE3 4.02Å; A115-W289 HydrophobicContact CB-CG 4.14Å; A115-W289 HydrophobicContact CB-CH2 4.41Å; A115-W289 HydrophobicContact CB-CZ2 4.17Å; A115-W289 HydrophobicContact CB-CZ3 4.35Å
116	G	96.3	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-48.8	177.1	0	0	0	0	0	112	H112 L113 Y118 S119 I120 V251 G255	H112-G116 PolarHBondContact O-N 3.04Å; L113-G116 PolarHBondContact O-N 2.74Å; G116-Y118 VanDerWaalsContact C-N 3.34Å; G116-Y118 PolarHBondContact O-N 2.97Å; G116-S119 WeakPolarHBondContact O-CB 3.39Å; G116-S119 PolarHBondContact O-N 2.92Å; G116-I120 WeakPolarHBondContact O-CG1 3.23Å; G116-I120 PolarHBondContact O-N 3.14Å; G116-I120 VanDerWaalsContact O-N 3.08Å; G116-V251 WeakPolarHBondContact CA-O 3.25Å; G116-G255 VanDerWaalsContact N-CA 3.27Å
117	L	95.5	Very high	91.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.2	-77	174.8	0	0	0	112	L113 S119 I120 L121 A147 L151 F180 I203 V251	L113-L117 HydrophobicContact CD1-CD1 4.38Å; L113-L117 HydrophobicContact CD1-CG 4.25Å; L113-L117 HydrophobicContact CG-CD1 4.16Å; L113-L117 HydrophobicContact CG-CG 4.48Å; L113-L117 WeakPolarHBondContact O-CB 3.39Å; L113-L117 VanDerWaalsContact O-CG 3.27Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.39Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.42Å; L117-I120 PolarHBondContact O-N 3.37Å; L117-I120 VanDerWaalsContact O-N 3.13Å; L117-L121 HydrophobicContact CD2-CD1 4.4Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.11Å; L117-A147 HydrophobicContact CD1-CB 4.1Å; L117-L151 HydrophobicContact CB-CD1 3.72Å; L117-L151 HydrophobicContact CD1-CD1 4.39Å; L117-F180 HydrophobicContact CD1-CE2 4.23Å; L117-F180 HydrophobicContact CD1-CZ 3.96Å; L117-F180 HydrophobicContact CD2-CE2 4.4Å; L117-F180 HydrophobicContact CD2-CZ 4Å; L117-F180 HydrophobicContact CG-CZ 4.42Å; L117-I203 HydrophobicContact CD2-CD1 3.45Å; L117-I203 VanDerWaalsContact CD2-CD1 3.45Å; L117-V251 HydrophobicContact CD2-CG1 4.37Å; L117-V251 HydrophobicContact CG-CG1 4.24Å
118	Y	94.6	Very high	91.1	Very high	59 Å²	59	40.1 Å²	40.1	23%	0.231	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-40.3	177.5	-176.1	-105.5	0	0	0	111.9	A114 A115 G116 I120 G122 L151 W289 E295	A114-Y118 VanDerWaalsContact O-CB 3.29Å; A114-Y118 WeakPolarHBondContact O-CB 3.42Å; A114-Y118 PolarHBondContact O-N 3.46Å; A115-Y118 PolarHBondContact O-N 3.23Å; G116-Y118 VanDerWaalsContact C-N 3.34Å; G116-Y118 PolarHBondContact O-N 2.97Å; Y118-I120 VanDerWaalsContact C-N 3.29Å; Y118-I120 PolarHBondContact O-N 3.38Å; Y118-G122 WeakPolarHBondContact O-CA 3.23Å; Y118-G122 PolarHBondContact O-N 3.01Å; Y118-L151 HydrophobicContact CD2-CD2 4.05Å; Y118-L151 HydrophobicContact CG-CD2 4.29Å; Y118-W289 HydrophobicContact CD1-CH2 4.17Å; Y118-W289 HydrophobicContact CD1-CZ2 4.09Å; Y118-W289 AromaticContact CG-CH2 3.95Å; Y118-W289 HydrophobicContact CG-CH2 3.95Å; Y118-W289 HydrophobicContact CG-CZ2 4.34Å; Y118-E295 HydrophobicContact CE2-CG 3.96Å
119	S	94.1	Very high	90.8	Very high	64 Å²	64	40.5 Å²	40.5	45%	0.448	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-29.4	175.5	-173.5	0	0	0	0	113.5	A115 G116 L117	A115-S119 PolarHBondContact O-N 3.26Å; G116-S119 WeakPolarHBondContact O-CB 3.39Å; G116-S119 PolarHBondContact O-N 2.92Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.42Å
120	I	93.4	Very high	90.8	Very high	38 Å²	38	40.2 Å²	40.2	20%	0.195	21%	0.205	C	C	.	.	H	α-helix	trans	-84.4	-41.3	-179.2	-67.7	168.7	0	0	0	111.5	G116 L117 Y118 R201 V251 L254	G116-I120 WeakPolarHBondContact O-CG1 3.23Å; G116-I120 PolarHBondContact O-N 3.14Å; G116-I120 VanDerWaalsContact O-N 3.08Å; L117-I120 PolarHBondContact O-N 3.37Å; L117-I120 VanDerWaalsContact O-N 3.13Å; Y118-I120 VanDerWaalsContact C-N 3.29Å; Y118-I120 PolarHBondContact O-N 3.38Å; I120-R201 VanDerWaalsContact CG2-CD 3.48Å; I120-R201 VanDerWaalsContact CG2-NE 3.34Å; I120-V251 HydrophobicContact CD1-CG1 4.04Å; I120-V251 HydrophobicContact CD1-CG2 4.16Å; I120-L254 HydrophobicContact CD1-CD2 3.83Å; I120-L254 HydrophobicContact CG1-CD2 3.6Å
121	L	92.2	Very high	90.9	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.12	21%	0.205	C	C	.	.	H	α-helix	trans	-97.6	-18.4	-170.3	-57.9	178.4	0	0	0	113.8	L117 I131 V178	L117-L121 HydrophobicContact CD2-CD1 4.4Å; L117-L121 WeakPolarHBondContact O-CB 3.36Å; L117-L121 WeakPolarHBondContact O-CG 3.41Å; L117-L121 PolarHBondContact O-N 3.11Å; L121-I131 HydrophobicContact CD1-CD1 3.95Å; L121-V178 HydrophobicContact CD1-CG2 4.04Å; L121-V178 HydrophobicContact CD2-CG2 3.46Å; L121-V178 VanDerWaalsContact CD2-CG2 3.46Å; L121-V178 HydrophobicContact CG-CG2 4.36Å
122	G	90.6	Very high	90.9	Very high	24 Å²	24	40.3 Å²	40.3	25%	0.247	21%	0.205	C	C	.	.			trans	69.7	-160.5	-175.7	0	0	0	0	0	113.5	Y118 R153	Y118-G122 WeakPolarHBondContact O-CA 3.23Å; Y118-G122 PolarHBondContact O-N 3.01Å; G122-R153 PolarHBondContact O-NH2 2.86Å
123	S	88.2	Confident	91	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.154	20%	0.2	C	C	.	.			trans	-70.4	145.2	-175.7	174.6	0	0	0	0	112	K125 E126 H127 E295	S123-K125 PolarHBondContact O-N 3.22Å; S123-K125 PolarHBondContact OG-N 3.2Å; S123-E126 PolarHBondContact O-N 2.75Å; S123-E126 VanDerWaalsContact O-N 3.17Å; S123-H127 PolarHBondContact O-N 3.23Å; S123-E295 WeakPolarHBondContact CB-OE1 3.34Å; S123-E295 PolarHBondContact OG-OE1 2.93Å
124	I	86.2	Confident	90.9	Very high	20 Å²	20	39.2 Å²	39.2	10%	0.103	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.8	173.1	-162.4	170.4	0	0	0	112.9	E126 H127 N128 N152 E295	I124-E126 PolarHBondContact O-N 2.9Å; I124-H127 WeakPolarHBondContact CA-O 3.4Å; I124-H127 CarbonylContact O-C 3.31Å; I124-H127 VanDerWaalsContact O-C 3.31Å; I124-H127 PolarHBondContact O-N 2.94Å; I124-N128 VanDerWaalsContact CD1-OD1 3.31Å; I124-N128 WeakPolarHBondContact CD1-OD1 3.33Å; I124-N128 HydrophobicContact CG1-CB 4Å; I124-N128 VanDerWaalsContact CG1-OD1 3.24Å; I124-N128 WeakPolarHBondContact CG1-OD1 3.37Å; I124-N128 WeakPolarHBondContact O-CB 3.41Å; I124-N128 PolarHBondContact O-N 3.29Å; I124-N152 HydrophobicContact CD1-CB 3.81Å; I124-N152 WeakPolarHBondContact CD1-O 3.34Å; I124-E295 VanDerWaalsContact CB-OE2 3.27Å; I124-E295 WeakPolarHBondContact CB-OE2 3.11Å; I124-E295 WeakPolarHBondContact CG2-OE2 3.47Å; I124-E295 PolarHBondContact N-OE2 3.29Å
125	K	80.1	Confident	90.8	Very high	170 Å²	170	39.5 Å²	39.5	74%	0.739	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.7	178.8	-66.2	-177.6	-179.5	177.7	0	112.5	S123	S123-K125 PolarHBondContact O-N 3.22Å; S123-K125 PolarHBondContact OG-N 3.2Å
126	E	75.8	Confident	90.5	Very high	144 Å²	144	42.2 Å²	42.2	67%	0.673	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-39.9	178.9	-63.7	174.4	178.5	0	0	110.5	S123 I124	S123-E126 PolarHBondContact O-N 2.75Å; S123-E126 VanDerWaalsContact O-N 3.17Å; I124-E126 PolarHBondContact O-N 2.9Å
127	H	77.4	Confident	90.2	Very high	89 Å²	89	43 Å²	43	41%	0.412	22%	0.22	S	C	.	.			trans	-136.4	106.1	-176.8	-62.6	-69.2	0	0	0	110.4	S123 I124 R153	S123-H127 PolarHBondContact O-N 3.23Å; I124-H127 WeakPolarHBondContact CA-O 3.4Å; I124-H127 CarbonylContact O-C 3.31Å; I124-H127 VanDerWaalsContact O-C 3.31Å; I124-H127 PolarHBondContact O-N 2.94Å; H127-R153 PolarHBondContact O-NH1 3Å; H127-R153 PolarHBondContact O-NH2 2.88Å
128	N	83.1	Confident	90.1	Very high	99 Å²	99	44.5 Å²	44.5	53%	0.529	23%	0.225	S	C	.	.			trans	-113.4	23.1	179	-165.2	18.7	0	0	0	113.2	I124	I124-N128 VanDerWaalsContact CD1-OD1 3.31Å; I124-N128 WeakPolarHBondContact CD1-OD1 3.33Å; I124-N128 HydrophobicContact CG1-CB 4Å; I124-N128 VanDerWaalsContact CG1-OD1 3.24Å; I124-N128 WeakPolarHBondContact CG1-OD1 3.37Å; I124-N128 WeakPolarHBondContact O-CB 3.41Å; I124-N128 PolarHBondContact O-N 3.29Å
129	Q	88.3	Confident	90.1	Very high	59 Å²	59	41.7 Å²	41.7	28%	0.276	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-70.1	142	179.4	-64.4	81.8	-2.5	0	0	110.5	V177	Q129-V177 HydrophobicContact CB-CG2 4.16Å; Q129-V177 HydrophobicContact CG-CG2 4.04Å
130	P	95.2	Very high	90.1	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.052	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-55.1	147.9	167.5	-24.1	33.5	0	0	0	112.3	P154 A156 T174 A176 I305	P130-P154 CarbonylContact C-O 3.52Å; P130-P154 VanDerWaalsContact CA-O 3.27Å; P130-P154 WeakPolarHBondContact CA-O 3.45Å; P130-P154 HydrophobicContact CB-CB 4.25Å; P130-P154 HydrophobicContact CG-CB 4.41Å; P130-A156 HydrophobicContact CB-CB 4.31Å; P130-T174 WeakPolarHBondContact CD-O 3.41Å; P130-A176 WeakPolarHBondContact O-CA 3.3Å; P130-I305 HydrophobicContact CB-CD1 3.92Å; P130-I305 HydrophobicContact CG-CD1 3.55Å
131	I	97.1	Very high	90.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.8	171.5	-65.9	175.6	0	0	0	107.9	L121 R153 P154 V155 A156 V178 F180	L121-I131 HydrophobicContact CD1-CD1 3.95Å; I131-R153 HydrophobicContact CD1-CB 4.11Å; I131-P154 PolarHBondContact N-O 2.79Å; I131-V155 CarbonylContact O-C 3.59Å; I131-V155 WeakPolarHBondContact O-CA 3.47Å; I131-A156 PolarHBondContact O-N 2.86Å; I131-V178 HydrophobicContact CG1-CB 4.33Å; I131-V178 HydrophobicContact CG2-CB 4.14Å; I131-V178 HydrophobicContact CG2-CG1 4.21Å; I131-F180 HydrophobicContact CG2-CD2 3.6Å; I131-F180 HydrophobicContact CG2-CE2 3.84Å
132	A	97.5	Very high	90.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.2	178.3	0	0	0	0	0	110.9	A156 F171 A176 V178 V179 F180	A132-A156 CarbonylContact C-O 3.38Å; A132-A156 WeakPolarHBondContact CA-O 2.99Å; A132-F171 HydrophobicContact CB-CD1 3.8Å; A132-F171 HydrophobicContact CB-CE1 3.71Å; A132-A176 HydrophobicContact CB-CB 3.83Å; A132-V178 PolarHBondContact N-O 3.38Å; A132-V179 HydrophobicContact CB-CG1 4.45Å; A132-V179 HydrophobicContact CB-CG2 4.16Å; A132-V179 CarbonylContact O-C 3.54Å; A132-V179 WeakPolarHBondContact O-CA 3.35Å; A132-F180 PolarHBondContact O-N 3.45Å
133	L	97.1	Very high	90.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109.6	-178	-160.4	152.9	0	0	0	109.5	W141 A144 V155 A156 L158 F180	L133-W141 HydrophobicContact CD2-CB 4.49Å; L133-W141 HydrophobicContact CD2-CD2 3.65Å; L133-W141 HydrophobicContact CD2-CG 3.53Å; L133-W141 HydrophobicContact CD2-CZ2 3.99Å; L133-A144 HydrophobicContact CD1-CB 3.72Å; L133-V155 HydrophobicContact CB-CG1 3.65Å; L133-V155 HydrophobicContact CD1-CG1 3.93Å; L133-V155 HydrophobicContact CG-CG1 4.39Å; L133-A156 PolarHBondContact N-O 2.85Å; L133-L158 PolarHBondContact O-N 2.79Å; L133-F180 HydrophobicContact CB-CB 4.34Å; L133-F180 HydrophobicContact CD1-CB 4.22Å; L133-F180 HydrophobicContact CD1-CD2 4.4Å; L133-F180 HydrophobicContact CG-CB 3.8Å
134	F	95.3	Very high	91.2	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	88.2	-170.3	173.5	-110	0	0	0	110	L158 Y159 L167 F171 F180 T181 L185 K188 V189	F134-L158 HydrophobicContact CD2-CB 4.14Å; F134-Y159 WeakPolarHBondContact CE2-O 3.36Å; F134-L167 HydrophobicContact CD2-CD2 3.59Å; F134-L167 HydrophobicContact CE1-CD1 4.34Å; F134-L167 HydrophobicContact CE2-CD1 3.73Å; F134-L167 HydrophobicContact CE2-CD2 3.38Å; F134-L167 HydrophobicContact CE2-CG 4.21Å; F134-L167 HydrophobicContact CG-CD2 4.41Å; F134-L167 HydrophobicContact CZ-CD1 3.6Å; F134-L167 HydrophobicContact CZ-CD2 4.1Å; F134-F171 HydrophobicContact CB-CZ 4.35Å; F134-F180 PolarHBondContact N-O 2.79Å; F134-T181 WeakPolarHBondContact O-CA 3.4Å; F134-T181 WeakPolarHBondContact O-CB 3.35Å; F134-T181 PolarHBondContact O-OG1 3Å; F134-L185 HydrophobicContact CD1-CB 4.41Å; F134-L185 HydrophobicContact CD1-CD1 4.18Å; F134-L185 HydrophobicContact CE1-CB 3.92Å; F134-L185 HydrophobicContact CE1-CD1 3.82Å; F134-L185 HydrophobicContact CE1-CD2 4.37Å; F134-L185 HydrophobicContact CE1-CG 4.26Å; F134-L185 HydrophobicContact CZ-CD1 4.07Å; F134-L185 HydrophobicContact CZ-CD2 4.42Å; F134-K188 HydrophobicContact CZ-CD 4.41Å; F134-V189 HydrophobicContact CD1-CG2 3.46Å; F134-V189 VanDerWaalsContact CD1-CG2 3.46Å; F134-V189 HydrophobicContact CE1-CG2 3.7Å
135	S	93.3	Very high	91.8	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	16%	0.157	C	C	.	.			trans	-152.6	155.6	-176.8	173.3	0	0	0	0	109.8
136	E	88.5	Confident	92.6	Very high	57 Å²	57	25.2 Å²	25.2	27%	0.266	12%	0.122	S	C	.	.			trans	-62.7	165.7	160.7	-59.8	107.5	136.4	0	0	111.9	R138 A160 S182	E136-R138 PolarHBondContact O-N 3.12Å; E136-A160 HydrophobicContact CG-CB 3.97Å; E136-S182 PolarHBondContact OE2-OG 3.04Å; E136-S182 VanDerWaalsContact OE2-OG 3.05Å
137	T	91.7	Very high	93.6	Very high	18 Å²	18	18.4 Å²	18.4	11%	0.11	9%	0.09	C	C	.	.	S	Bend	trans	-64.3	121.9	178.8	-64.5	0	0	0	0	111.7	L350 P351 L352 Y373	T137-L350 WeakPolarHBondContact CB-O 3.24Å; T137-L350 PolarHBondContact OG1-O 2.93Å; T137-P351 VanDerWaalsContact OG1-CA 3.27Å; T137-P351 WeakPolarHBondContact OG1-CA 3.49Å; T137-L352 HydrophobicContact CG2-CD1 3.86Å; T137-L352 HydrophobicContact CG2-CG 3.9Å; T137-L352 PolarHBondContact OG1-N 2.8Å; T137-Y373 HydrophobicContact CG2-CD1 3.76Å; T137-Y373 HydrophobicContact CG2-CE1 3.93Å
138	R	92.4	Very high	94.6	Very high	31 Å²	31	14.1 Å²	14.1	12%	0.117	7%	0.07	C	C	.	.			trans	-164.5	166.7	-179.4	62.7	-168	-61.9	157.3	3.9	110.7	E136 E140 W141 E184 N207	E136-R138 PolarHBondContact O-N 3.12Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 HydrophobicContact CG-CB 4.34Å; R138-E140 IonicContact CZ-OE2 2.8Å; R138-E140 IonicContact NE-OE2 3.85Å; R138-E140 PolarHBondContact NE-OE2 3.25Å; R138-E140 IonicContact NH2-OE2 2.68Å; R138-E140 PolarHBondContact O-N 2.97Å; R138-W141 HydrophobicContact CG-CB 4.15Å; R138-W141 WeakPolarHBondContact O-CB 3.26Å; R138-W141 PolarHBondContact O-N 3.44Å; R138-E184 IonicContact NH1-OE2 3.64Å; R138-N207 PolarHBondContact NH1-OD1 3.43Å; R138-N207 PolarHBondContact NH2-OD1 2.97Å; R138-N207 VanDerWaalsContact NH2-OD1 3.12Å
139	A	94.3	Very high	95.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.4	-42.4	179.9	0	0	0	0	0	112.7	F71 T73 W141 M142 F143 Y373	F71-A139 HydrophobicContact CB-CB 4.18Å; T73-A139 HydrophobicContact CG2-CB 4.12Å; A139-W141 PolarHBondContact O-N 3.23Å; A139-M142 WeakPolarHBondContact O-CB 3.21Å; A139-M142 PolarHBondContact O-N 2.99Å; A139-F143 HydrophobicContact CB-CE1 4.45Å; A139-F143 HydrophobicContact CB-CE2 3.89Å; A139-F143 HydrophobicContact CB-CZ 3.79Å; A139-F143 WeakPolarHBondContact O-CD1 3.21Å; A139-F143 WeakPolarHBondContact O-CG 3.48Å; A139-F143 PolarHBondContact O-N 3.48Å; A139-Y373 HydrophobicContact CB-CD2 3.86Å; A139-Y373 HydrophobicContact CB-CE2 3.51Å
140	E	94.2	Very high	95.5	Very high	14 Å²	14	6.8 Å²	6.8	7%	0.065	3%	0.033	C	C	.	.	H	α-helix	trans	-61.9	-29.8	-179.5	-63.9	76.8	-166.5	0	0	112.7	R109 R138 M142 F143 A144 F205 I248	R109-E140 IonicContact NH1-OE1 2.87Å; R138-E140 VanDerWaalsContact C-N 3.34Å; R138-E140 HydrophobicContact CG-CB 4.34Å; R138-E140 IonicContact CZ-OE2 2.8Å; R138-E140 IonicContact NE-OE2 3.85Å; R138-E140 PolarHBondContact NE-OE2 3.25Å; R138-E140 IonicContact NH2-OE2 2.68Å; R138-E140 PolarHBondContact O-N 2.97Å; E140-M142 VanDerWaalsContact C-N 3.34Å; E140-F143 PolarHBondContact O-N 3.47Å; E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.38Å; E140-A144 PolarHBondContact O-N 3.37Å; E140-F205 HydrophobicContact CB-CB 4.3Å; E140-F205 HydrophobicContact CB-CD1 3.81Å; E140-F205 HydrophobicContact CB-CD2 4.2Å; E140-F205 HydrophobicContact CB-CE1 4.09Å; E140-F205 HydrophobicContact CB-CE2 4.44Å; E140-F205 HydrophobicContact CB-CG 3.85Å; E140-F205 HydrophobicContact CB-CZ 4.39Å; E140-F205 HydrophobicContact CG-CB 4.47Å; E140-F205 HydrophobicContact CG-CD1 4.5Å; E140-I248 HydrophobicContact CB-CD1 4.11Å; E140-I248 HydrophobicContact CG-CD1 4.26Å
141	W	95.9	Very high	95.6	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-58.4	-49.8	172.8	-170.5	117.1	0	0	0	109.9	L133 R138 A139 A144 A145 T157 L352 L358	L133-W141 HydrophobicContact CD2-CB 4.49Å; L133-W141 HydrophobicContact CD2-CD2 3.65Å; L133-W141 HydrophobicContact CD2-CG 3.53Å; L133-W141 HydrophobicContact CD2-CZ2 3.99Å; R138-W141 HydrophobicContact CG-CB 4.15Å; R138-W141 WeakPolarHBondContact O-CB 3.26Å; R138-W141 PolarHBondContact O-N 3.44Å; A139-W141 PolarHBondContact O-N 3.23Å; W141-A144 PolarHBondContact O-N 3.24Å; W141-A145 HydrophobicContact CE3-CB 4.13Å; W141-A145 HydrophobicContact CZ3-CB 3.81Å; W141-A145 WeakPolarHBondContact O-CB 3.36Å; W141-A145 PolarHBondContact O-N 2.87Å; W141-T157 HydrophobicContact CH2-CG2 3.99Å; W141-T157 HydrophobicContact CZ2-CG2 3.58Å; W141-L352 HydrophobicContact CB-CD1 3.85Å; W141-L352 HydrophobicContact CD2-CB 3.57Å; W141-L352 HydrophobicContact CD2-CD1 3.62Å; W141-L352 HydrophobicContact CD2-CG 4.14Å; W141-L352 VanDerWaalsContact CE2-CB 3.43Å; W141-L352 HydrophobicContact CE3-CB 3.88Å; W141-L352 HydrophobicContact CE3-CD1 3.61Å; W141-L352 HydrophobicContact CE3-CD2 4.17Å; W141-L352 HydrophobicContact CE3-CG 4.11Å; W141-L352 HydrophobicContact CG-CB 4.07Å; W141-L352 HydrophobicContact CG-CD1 3.72Å; W141-L352 HydrophobicContact CH2-CB 4.09Å; W141-L352 HydrophobicContact CZ2-CB 3.74Å; W141-L352 WeakPolarHBondContact CZ2-O 3.31Å; W141-L352 HydrophobicContact CZ3-CB 4.14Å; W141-L352 HydrophobicContact CZ3-CD1 4.42Å; W141-L352 HydrophobicContact CZ3-CD2 4.17Å; W141-L352 HydrophobicContact CZ3-CG 4.5Å; W141-L358 HydrophobicContact CH2-CD1 3.88Å; W141-L358 HydrophobicContact CZ3-CD1 3.74Å
142	M	97.1	Very high	95.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.2	-40.7	179.3	-174.3	59.9	66	0	0	110.8	W58 F71 A139 E140 A145 Q146 L352 L358 E361 L362	W58-M142 HydrophobicContact CZ3-CG 4.03Å; F71-M142 HydrophobicContact CE1-CG 4.32Å; A139-M142 WeakPolarHBondContact O-CB 3.21Å; A139-M142 PolarHBondContact O-N 2.99Å; E140-M142 VanDerWaalsContact C-N 3.34Å; M142-A145 PolarHBondContact O-N 3.09Å; M142-Q146 HydrophobicContact CG-CG 4.37Å; M142-Q146 WeakPolarHBondContact O-CB 3.04Å; M142-Q146 VanDerWaalsContact O-CG 3.24Å; M142-Q146 WeakPolarHBondContact O-CG 3.2Å; M142-Q146 PolarHBondContact O-N 3.01Å; M142-Q146 HydrophobicContact SD-CG 4.28Å; M142-L352 HydrophobicContact CE-CD2 4.12Å; M142-L358 HydrophobicContact CE-CD1 4.36Å; M142-E361 HydrophobicContact CE-CB 3.83Å; M142-E361 WeakPolarHBondContact CE-OE2 3.21Å; M142-L362 HydrophobicContact CE-CD2 4.49Å; M142-L362 HydrophobicContact SD-CD2 4.17Å
143	F	96.8	Very high	95.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.2	-43.7	179.7	-55.3	-19.7	0	0	0	112.2	W58 F71 A106 R109 V110 A139 E140 Q146 A147	W58-F143 HydrophobicContact CH2-CD1 4.04Å; W58-F143 HydrophobicContact CH2-CE1 4.03Å; F71-F143 HydrophobicContact CB-CZ 4.2Å; F71-F143 HydrophobicContact CD1-CE1 4.28Å; F71-F143 AromaticContact CD2-CE1 3.76Å; F71-F143 HydrophobicContact CD2-CE1 3.76Å; F71-F143 AromaticContact CD2-CZ 3.98Å; F71-F143 HydrophobicContact CD2-CZ 3.98Å; F71-F143 HydrophobicContact CE1-CE1 4.42Å; F71-F143 AromaticContact CE2-CE1 3.94Å; F71-F143 HydrophobicContact CE2-CE1 3.94Å; F71-F143 AromaticContact CG-CE1 3.95Å; F71-F143 HydrophobicContact CG-CE1 3.95Å; F71-F143 HydrophobicContact CG-CZ 4.02Å; F71-F143 HydrophobicContact CZ-CE1 4.27Å; A106-F143 HydrophobicContact CB-CD1 4.48Å; A106-F143 HydrophobicContact CB-CE1 3.66Å; A106-F143 HydrophobicContact CB-CZ 3.87Å; R109-F143 HydrophobicContact CB-CD2 4.5Å; V110-F143 HydrophobicContact CG2-CB 3.99Å; V110-F143 HydrophobicContact CG2-CD1 4.14Å; V110-F143 HydrophobicContact CG2-CG 4.31Å; A139-F143 HydrophobicContact CB-CE1 4.45Å; A139-F143 HydrophobicContact CB-CE2 3.89Å; A139-F143 HydrophobicContact CB-CZ 3.79Å; A139-F143 WeakPolarHBondContact O-CD1 3.21Å; A139-F143 WeakPolarHBondContact O-CG 3.48Å; A139-F143 PolarHBondContact O-N 3.48Å; E140-F143 PolarHBondContact O-N 3.47Å; F143-Q146 PolarHBondContact O-N 2.89Å; F143-A147 WeakPolarHBondContact O-CB 3.12Å; F143-A147 PolarHBondContact O-N 3.07Å
144	A	97.8	Very high	95.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.1	-44	174.2	0	0	0	0	0	111.6	L113 L133 E140 W141 A147 C148 F180 F205	L113-A144 HydrophobicContact CD2-CB 4.22Å; L133-A144 HydrophobicContact CD1-CB 3.72Å; E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.38Å; E140-A144 PolarHBondContact O-N 3.37Å; W141-A144 PolarHBondContact O-N 3.24Å; A144-A147 PolarHBondContact O-N 3.22Å; A144-C148 PolarHBondContact O-N 2.89Å; A144-C148 PolarHBondContact O-SG 3.17Å; A144-F180 HydrophobicContact CB-CD1 4.01Å; A144-F180 HydrophobicContact CB-CD2 4.07Å; A144-F180 HydrophobicContact CB-CE1 3.98Å; A144-F180 HydrophobicContact CB-CE2 4.07Å; A144-F180 HydrophobicContact CB-CG 4.04Å; A144-F180 HydrophobicContact CB-CZ 4.02Å; A144-F205 HydrophobicContact CB-CE1 4.23Å; A144-F205 HydrophobicContact CB-CZ 4.07Å
145	A	98.2	Very high	95.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.8	-47.8	176	0	0	0	0	0	112	W141 M142 A147 C148 F149 V155	W141-A145 HydrophobicContact CE3-CB 4.13Å; W141-A145 HydrophobicContact CZ3-CB 3.81Å; W141-A145 WeakPolarHBondContact O-CB 3.36Å; W141-A145 PolarHBondContact O-N 2.87Å; M142-A145 PolarHBondContact O-N 3.09Å; A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 3.4Å; A145-C148 WeakPolarHBondContact O-CB 3.45Å; A145-C148 PolarHBondContact O-N 2.83Å; A145-F149 HydrophobicContact CB-CE2 3.97Å; A145-F149 HydrophobicContact CB-CZ 3.92Å; A145-F149 WeakPolarHBondContact O-CD1 3.25Å; A145-F149 VanDerWaalsContact O-CD2 3.29Å; A145-F149 WeakPolarHBondContact O-CD2 3.46Å; A145-F149 WeakPolarHBondContact O-CG 3.29Å; A145-F149 PolarHBondContact O-N 3.24Å; A145-V155 HydrophobicContact CB-CG2 4.49Å
146	Q	97.7	Very high	95.7	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-62.8	-37.5	178.2	-67.6	-63.5	-24.8	0	0	112.9	W58 V110 M142 F143 F149 R150	W58-Q146 HydrophobicContact CD2-CG 3.93Å; W58-Q146 HydrophobicContact CE3-CG 3.56Å; W58-Q146 HydrophobicContact CG-CG 4.48Å; W58-Q146 HydrophobicContact CH2-CG 4.46Å; W58-Q146 HydrophobicContact CZ3-CG 3.84Å; V110-Q146 HydrophobicContact CG1-CB 3.8Å; V110-Q146 HydrophobicContact CG2-CB 3.94Å; M142-Q146 HydrophobicContact CG-CG 4.37Å; M142-Q146 WeakPolarHBondContact O-CB 3.04Å; M142-Q146 VanDerWaalsContact O-CG 3.24Å; M142-Q146 WeakPolarHBondContact O-CG 3.2Å; M142-Q146 PolarHBondContact O-N 3.01Å; M142-Q146 HydrophobicContact SD-CG 4.28Å; F143-Q146 PolarHBondContact O-N 2.89Å; Q146-F149 PolarHBondContact O-N 3.32Å; Q146-R150 WeakPolarHBondContact O-CB 3.38Å; Q146-R150 PolarHBondContact O-N 3.15Å
147	A	97.4	Very high	96.1	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.9	-42.3	174.3	0	0	0	0	0	111.5	L113 A114 L117 F143 A144 A145 R150 L151	L113-A147 HydrophobicContact CB-CB 4.07Å; L113-A147 HydrophobicContact CD2-CB 3.88Å; L113-A147 HydrophobicContact CG-CB 3.78Å; A114-A147 HydrophobicContact CB-CB 4.01Å; L117-A147 HydrophobicContact CD1-CB 4.1Å; F143-A147 WeakPolarHBondContact O-CB 3.12Å; F143-A147 PolarHBondContact O-N 3.07Å; A144-A147 PolarHBondContact O-N 3.22Å; A145-A147 VanDerWaalsContact C-N 3.33Å; A145-A147 PolarHBondContact O-N 3.4Å; A147-R150 PolarHBondContact O-N 3.25Å; A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.27Å
148	C	97.4	Very high	96.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-64.8	-45.3	176	-63.5	0	0	0	0	111.9	A144 A145 R150 L151 N152 R153 V155	A144-C148 PolarHBondContact O-N 2.89Å; A144-C148 PolarHBondContact O-SG 3.17Å; A145-C148 WeakPolarHBondContact O-CB 3.45Å; A145-C148 PolarHBondContact O-N 2.83Å; C148-R150 VanDerWaalsContact C-N 3.27Å; C148-R150 PolarHBondContact O-N 3.07Å; C148-L151 CarbonylContact O-C 3.51Å; C148-L151 PolarHBondContact O-N 3.35Å; C148-L151 VanDerWaalsContact O-N 3.08Å; C148-N152 PolarHBondContact O-N 2.96Å; C148-R153 CarbonylContact C-O 3.54Å; C148-R153 HydrophobicContact CB-CB 4.4Å; C148-R153 WeakPolarHBondContact CB-O 3.31Å; C148-R153 PolarHBondContact O-N 2.89Å; C148-V155 HydrophobicContact CB-CG2 3.41Å; C148-V155 VanDerWaalsContact CB-CG2 3.41Å
149	F	97	Very high	95.6	Very high	1 Å²	1	4.2 Å²	4.2	0%	0.004	2%	0.02	C	C	.	.	H	α-helix	trans	-57.3	-41.5	175.5	-61.4	-21.6	0	0	0	111.9	L54 V55 A145 Q146 L151 N152 V155 A303 V304 H322	L54-F149 HydrophobicContact CB-CD2 3.94Å; L54-F149 HydrophobicContact CB-CE2 4.4Å; L54-F149 HydrophobicContact CB-CG 4.47Å; L54-F149 HydrophobicContact CD1-CD2 3.85Å; L54-F149 HydrophobicContact CD1-CE1 4.33Å; L54-F149 HydrophobicContact CD1-CE2 3.58Å; L54-F149 HydrophobicContact CD1-CG 4.35Å; L54-F149 HydrophobicContact CD1-CZ 3.84Å; V55-F149 HydrophobicContact CG2-CB 4Å; A145-F149 HydrophobicContact CB-CE2 3.97Å; A145-F149 HydrophobicContact CB-CZ 3.92Å; A145-F149 WeakPolarHBondContact O-CD1 3.25Å; A145-F149 VanDerWaalsContact O-CD2 3.29Å; A145-F149 WeakPolarHBondContact O-CD2 3.46Å; A145-F149 WeakPolarHBondContact O-CG 3.29Å; A145-F149 PolarHBondContact O-N 3.24Å; Q146-F149 PolarHBondContact O-N 3.32Å; F149-L151 PolarHBondContact O-N 3.41Å; F149-N152 PolarHBondContact O-N 3.44Å; F149-N152 VanDerWaalsContact O-N 3.13Å; F149-V155 HydrophobicContact CD1-CG2 4.15Å; F149-V155 HydrophobicContact CE1-CB 4.29Å; F149-V155 HydrophobicContact CE1-CG2 3.67Å; F149-V155 HydrophobicContact CZ-CG2 4.41Å; F149-A303 HydrophobicContact CD1-CB 4.34Å; F149-A303 HydrophobicContact CE1-CB 4.18Å; F149-A303 WeakPolarHBondContact CE1-O 3.18Å; F149-V304 HydrophobicContact CE1-CG2 3.84Å; F149-V304 HydrophobicContact CZ-CG2 3.84Å; F149-H322 AromaticContact CG-CE1 3.95Å
150	R	94.9	Very high	94.8	Very high	3 Å²	3	5.1 Å²	5.1	1%	0.011	3%	0.027	C	C	.	.	H	α-helix	trans	-62	-33.3	178.1	-172	168.6	-63	-171.9	7.7	112.8	V55 E107 S111 A114 Q146 A147 C148 N152 W289 M290 P291	V55-R150 HydrophobicContact CG1-CG 4.46Å; V55-R150 HydrophobicContact CG2-CB 4.47Å; E107-R150 VanDerWaalsContact CD-NH2 3.32Å; E107-R150 IonicContact OE1-CZ 3.42Å; E107-R150 IonicContact OE1-NH1 3.35Å; E107-R150 PolarHBondContact OE1-NH1 3.25Å; E107-R150 IonicContact OE1-NH2 3.08Å; E107-R150 PolarHBondContact OE1-NH2 2.91Å; E107-R150 IonicContact OE2-CZ 2.84Å; E107-R150 IonicContact OE2-NH1 2.72Å; E107-R150 IonicContact OE2-NH2 3.73Å; E107-R150 PolarHBondContact OE2-NH2 3.49Å; S111-R150 PolarHBondContact OG-NH1 3.12Å; A114-R150 HydrophobicContact CB-CB 4.5Å; Q146-R150 WeakPolarHBondContact O-CB 3.38Å; Q146-R150 PolarHBondContact O-N 3.15Å; A147-R150 PolarHBondContact O-N 3.25Å; C148-R150 VanDerWaalsContact C-N 3.27Å; C148-R150 PolarHBondContact O-N 3.07Å; R150-N152 VanDerWaalsContact C-N 3.34Å; R150-W289 WeakPolarHBondContact CD-O 3.4Å; R150-W289 PolarHBondContact NH1-O 3.08Å; R150-M290 HydrophobicContact CG-CE 4.36Å; R150-M290 HydrophobicContact CG-SD 4Å; R150-P291 HydrophobicContact CG-CG 4.37Å; R150-P291 WeakPolarHBondContact O-CG 3.26Å
151	L	95.3	Very high	93.8	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	8.6	178.7	-60.8	177.9	0	0	0	113.8	A114 L117 Y118 A147 C148 F149 R153 W289 P291 E295	A114-L151 HydrophobicContact CB-CG 4.41Å; L117-L151 HydrophobicContact CB-CD1 3.72Å; L117-L151 HydrophobicContact CD1-CD1 4.39Å; Y118-L151 HydrophobicContact CD2-CD2 4.05Å; Y118-L151 HydrophobicContact CG-CD2 4.29Å; A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.27Å; C148-L151 CarbonylContact O-C 3.51Å; C148-L151 PolarHBondContact O-N 3.35Å; C148-L151 VanDerWaalsContact O-N 3.08Å; F149-L151 PolarHBondContact O-N 3.41Å; L151-R153 HydrophobicContact CB-CG 4.06Å; L151-R153 PolarHBondContact O-N 3.26Å; L151-W289 HydrophobicContact CD2-CH2 3.85Å; L151-W289 HydrophobicContact CD2-CZ3 3.81Å; L151-P291 HydrophobicContact CD2-CB 3.95Å; L151-P291 HydrophobicContact CD2-CG 4.08Å; L151-E295 CarbonylContact C-O 3.25Å; L151-E295 VanDerWaalsContact C-O 3.25Å
152	N	95.8	Very high	92.7	Very high	22 Å²	22	9.3 Å²	9.3	12%	0.118	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.7	-173.7	-162.5	14.3	0	0	0	113.5	I124 C148 F149 R150 E295 A297 D301	I124-N152 HydrophobicContact CD1-CB 3.81Å; I124-N152 WeakPolarHBondContact CD1-O 3.34Å; C148-N152 PolarHBondContact O-N 2.96Å; F149-N152 PolarHBondContact O-N 3.44Å; F149-N152 VanDerWaalsContact O-N 3.13Å; R150-N152 VanDerWaalsContact C-N 3.34Å; N152-E295 VanDerWaalsContact CB-O 3.31Å; N152-E295 WeakPolarHBondContact CB-O 3.49Å; N152-A297 HydrophobicContact CB-CB 4.13Å; N152-D301 PolarHBondContact ND2-OD2 2.87Å; N152-D301 VanDerWaalsContact ND2-OD2 3.16Å; N152-D301 VanDerWaalsContact OD1-CB 3.23Å; N152-D301 WeakPolarHBondContact OD1-CB 3.46Å; N152-D301 PolarHBondContact OD1-OD2 3.24Å
153	R	95.6	Very high	91.5	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.026	8%	0.076	C	C	.	.			trans	-105.5	118	179.7	-66.5	-177.9	178.7	-75.7	-2	109.5	G122 H127 I131 C148 L151	G122-R153 PolarHBondContact O-NH2 2.86Å; H127-R153 PolarHBondContact O-NH1 3Å; H127-R153 PolarHBondContact O-NH2 2.88Å; I131-R153 HydrophobicContact CD1-CB 4.11Å; C148-R153 CarbonylContact C-O 3.54Å; C148-R153 HydrophobicContact CB-CB 4.4Å; C148-R153 WeakPolarHBondContact CB-O 3.31Å; C148-R153 PolarHBondContact O-N 2.89Å; L151-R153 HydrophobicContact CB-CG 4.06Å; L151-R153 PolarHBondContact O-N 3.26Å
154	P	96.9	Very high	91	Very high	10 Å²	10	15.3 Å²	15.3	7%	0.065	10%	0.097	C	C	.	.			trans	-61	139	178.3	-21.8	31.3	0	0	0	111.8	P130 I131 L302 A303 I305	P130-P154 CarbonylContact C-O 3.52Å; P130-P154 VanDerWaalsContact CA-O 3.27Å; P130-P154 WeakPolarHBondContact CA-O 3.45Å; P130-P154 HydrophobicContact CB-CB 4.25Å; P130-P154 HydrophobicContact CG-CB 4.41Å; I131-P154 PolarHBondContact N-O 2.79Å; P154-L302 HydrophobicContact CB-CB 4.35Å; P154-L302 HydrophobicContact CB-CD2 3.96Å; P154-L302 HydrophobicContact CB-CG 3.95Å; P154-L302 HydrophobicContact CG-CB 3.99Å; P154-L302 HydrophobicContact CG-CD2 3.99Å; P154-L302 HydrophobicContact CG-CG 4.08Å; P154-L302 WeakPolarHBondContact CG-O 3.33Å; P154-A303 WeakPolarHBondContact CA-O 3.4Å; P154-I305 HydrophobicContact CB-CD1 4.44Å
155	V	97.8	Very high	90.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.5	176.2	-175	0	0	0	0	109.4	I131 L133 A145 C148 F149 T157 A303 V304 I305	I131-V155 CarbonylContact O-C 3.59Å; I131-V155 WeakPolarHBondContact O-CA 3.47Å; L133-V155 HydrophobicContact CB-CG1 3.65Å; L133-V155 HydrophobicContact CD1-CG1 3.93Å; L133-V155 HydrophobicContact CG-CG1 4.39Å; A145-V155 HydrophobicContact CB-CG2 4.49Å; C148-V155 HydrophobicContact CB-CG2 3.41Å; C148-V155 VanDerWaalsContact CB-CG2 3.41Å; F149-V155 HydrophobicContact CD1-CG2 4.15Å; F149-V155 HydrophobicContact CE1-CB 4.29Å; F149-V155 HydrophobicContact CE1-CG2 3.67Å; F149-V155 HydrophobicContact CZ-CG2 4.41Å; V155-T157 HydrophobicContact CG1-CG2 3.84Å; V155-A303 PolarHBondContact N-O 3.21Å; V155-V304 CarbonylContact O-C 3.6Å; V155-V304 WeakPolarHBondContact O-CA 3.45Å; V155-I305 PolarHBondContact O-N 3.4Å
156	A	97.7	Very high	89.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.6	172.6	0	0	0	0	0	110.4	P130 I131 A132 L133 T174 I305 Y307	P130-A156 HydrophobicContact CB-CB 4.31Å; I131-A156 PolarHBondContact O-N 2.86Å; A132-A156 CarbonylContact C-O 3.38Å; A132-A156 WeakPolarHBondContact CA-O 2.99Å; L133-A156 PolarHBondContact N-O 2.85Å; A156-T174 HydrophobicContact CB-CG2 3.49Å; A156-T174 VanDerWaalsContact CB-CG2 3.49Å; A156-I305 CarbonylContact C-O 3.32Å; A156-I305 VanDerWaalsContact CA-O 3.28Å; A156-I305 WeakPolarHBondContact CA-O 3.32Å; A156-I305 HydrophobicContact CB-CB 4.25Å; A156-Y307 HydrophobicContact CB-CE2 4.47Å
157	T	96.4	Very high	89.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.6	-173.8	65.2	0	0	0	0	111.6	W141 V155 V304 I305 Y307	W141-T157 HydrophobicContact CH2-CG2 3.99Å; W141-T157 HydrophobicContact CZ2-CG2 3.58Å; V155-T157 HydrophobicContact CG1-CG2 3.84Å; T157-V304 HydrophobicContact CG2-CG1 4.24Å; T157-I305 PolarHBondContact N-O 2.81Å; T157-Y307 PolarHBondContact O-N 2.83Å
158	L	90.7	Very high	88.9	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.134	C	C	.	.			trans	-131	141.7	178.1	-67.9	107.5	0	0	0	110.2	L133 F134 L162 L167 F171 Y307	L133-L158 PolarHBondContact O-N 2.79Å; F134-L158 HydrophobicContact CD2-CB 4.14Å; L158-L162 HydrophobicContact CB-CD1 4.01Å; L158-L162 HydrophobicContact CD2-CD1 4.04Å; L158-L162 HydrophobicContact CG-CD1 4.49Å; L158-L167 HydrophobicContact CB-CD2 3.95Å; L158-L167 HydrophobicContact CD2-CD2 3.87Å; L158-L167 HydrophobicContact CG-CD2 4.49Å; L158-F171 HydrophobicContact CD1-CD1 4.11Å; L158-F171 HydrophobicContact CD1-CE1 3.88Å; L158-Y307 HydrophobicContact CD1-CD2 4.4Å; L158-Y307 HydrophobicContact CD2-CD2 4.42Å; L158-Y307 HydrophobicContact CD2-CG 4.38Å; L158-Y307 HydrophobicContact CG-CD2 4.12Å; L158-Y307 HydrophobicContact CG-CG 4.38Å
159	Y	83.7	Confident	88.5	Confident	27 Å²	27	24 Å²	24	11%	0.106	15%	0.145	C	C	.	.			trans	-68.1	136.3	176.6	-63	-100	0	0	0	111	F134 T161 L162 P351 A353 H354	F134-Y159 WeakPolarHBondContact CE2-O 3.36Å; Y159-T161 PolarHBondContact O-N 2.98Å; Y159-L162 HydrophobicContact CD2-CD1 4.39Å; Y159-L162 WeakPolarHBondContact O-CB 3.39Å; Y159-L162 PolarHBondContact O-N 3.25Å; Y159-P351 HydrophobicContact CD1-CB 3.9Å; Y159-P351 HydrophobicContact CD1-CG 4.22Å; Y159-P351 HydrophobicContact CE1-CB 3.98Å; Y159-P351 HydrophobicContact CE1-CG 4.3Å; Y159-A353 HydrophobicContact CD1-CB 4.46Å; Y159-A353 HydrophobicContact CG-CB 4.39Å; Y159-H354 HydrophobicContact CE1-CB 3.98Å; Y159-H354 WeakPolarHBondContact OH-CB 3.05Å; Y159-H354 PolarHBondContact OH-CD2 3.12Å
160	A	77.1	Confident	88.3	Confident	19 Å²	19	24 Å²	24	16%	0.157	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-30.6	173.6	0	0	0	0	0	113.9	E136 L185	E136-A160 HydrophobicContact CG-CB 3.97Å; A160-L185 HydrophobicContact CB-CD1 3.78Å
161	T	72.5	Confident	88.2	Confident	86 Å²	86	23.9 Å²	23.9	53%	0.528	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.1	-176.1	41.3	0	0	0	0	114.4	Y159 D741	Y159-T161 PolarHBondContact O-N 2.98Å; T161-D741 VanDerWaalsContact CB-CG 3.48Å; T161-D741 VanDerWaalsContact CB-OD1 3.3Å; T161-D741 WeakPolarHBondContact CB-OD1 3.29Å; T161-D741 WeakPolarHBondContact CB-OD2 3.38Å; T161-D741 PolarHBondContact OG1-OD1 3.33Å; T161-D741 PolarHBondContact OG1-OD2 3.23Å
162	L	72.5	Confident	88.2	Confident	18 Å²	18	26.4 Å²	26.4	9%	0.094	16%	0.158	C	C	.	.			trans	-61.7	143	176.5	-78.2	166.7	0	0	0	111.7	L158 Y159 A166 L167 K188	L158-L162 HydrophobicContact CB-CD1 4.01Å; L158-L162 HydrophobicContact CD2-CD1 4.04Å; L158-L162 HydrophobicContact CG-CD1 4.49Å; Y159-L162 HydrophobicContact CD2-CD1 4.39Å; Y159-L162 WeakPolarHBondContact O-CB 3.39Å; Y159-L162 PolarHBondContact O-N 3.25Å; L162-A166 HydrophobicContact CB-CB 4.41Å; L162-A166 HydrophobicContact CD2-CB 4.05Å; L162-L167 HydrophobicContact CB-CD2 3.87Å; L162-L167 HydrophobicContact CB-CG 3.91Å; L162-L167 HydrophobicContact CD1-CD2 4.26Å; L162-K188 PolarHBondContact O-NZ 3.46Å
163	G	72.8	Confident	88.2	Confident	46 Å²	46	26.7 Å²	26.7	47%	0.474	16%	0.158	S	C	.	.			trans	-67.6	155.3	172.1	0	0	0	0	0	111.8	D165 A166 L167	G163-D165 VanDerWaalsContact C-N 3.31Å; G163-D165 PolarHBondContact O-N 2.9Å; G163-A166 WeakPolarHBondContact O-CB 3.43Å; G163-A166 PolarHBondContact O-N 2.93Å; G163-A166 VanDerWaalsContact O-N 3.08Å; G163-L167 PolarHBondContact O-N 3.22Å; G163-L167 VanDerWaalsContact O-N 3.15Å
164	D	86	Confident	88.2	Confident	80 Å²	80	26.4 Å²	26.4	43%	0.428	16%	0.157	S	C	.	.	H	α-helix	trans	-55.7	-41.3	-170.7	-64.7	0.4	0	0	0	113.2	A166 L167 V168 K188 I192	D164-A166 PolarHBondContact O-N 3.42Å; D164-L167 WeakPolarHBondContact O-CB 3.34Å; D164-L167 PolarHBondContact O-N 2.89Å; D164-V168 WeakPolarHBondContact O-CG2 3.21Å; D164-V168 PolarHBondContact O-N 3.39Å; D164-K188 WeakPolarHBondContact OD1-CE 3.29Å; D164-K188 IonicContact OD1-NZ 2.69Å; D164-I192 HydrophobicContact CB-CD1 4.35Å; D164-I192 HydrophobicContact CB-CG1 4.39Å
165	D	84.3	Confident	88.1	Confident	102 Å²	102	30.6 Å²	30.6	55%	0.545	18%	0.176	S	C	.	.	H	α-helix	trans	-67.9	-34.8	-179.5	-66.9	-31.3	0	0	0	113.2	G163 L167 H169 R195	G163-D165 VanDerWaalsContact C-N 3.31Å; G163-D165 PolarHBondContact O-N 2.9Å; D165-L167 VanDerWaalsContact C-N 3.33Å; D165-H169 WeakPolarHBondContact O-CB 3.34Å; D165-H169 PolarHBondContact O-N 3.29Å; D165-R195 IonicContact OD1-CZ 2.74Å; D165-R195 VanDerWaalsContact OD1-CZ 3.29Å; D165-R195 IonicContact OD1-NH1 3.32Å; D165-R195 PolarHBondContact OD1-NH1 3.17Å; D165-R195 IonicContact OD1-NH2 2.93Å; D165-R195 PolarHBondContact OD1-NH2 2.85Å
166	A	81.9	Confident	87.9	Confident	20 Å²	20	30.6 Å²	30.6	17%	0.165	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-34.9	175.3	0	0	0	0	0	111.4	L162 G163 D164 G170 P315	L162-A166 HydrophobicContact CB-CB 4.41Å; L162-A166 HydrophobicContact CD2-CB 4.05Å; G163-A166 WeakPolarHBondContact O-CB 3.43Å; G163-A166 PolarHBondContact O-N 2.93Å; G163-A166 VanDerWaalsContact O-N 3.08Å; D164-A166 PolarHBondContact O-N 3.42Å; A166-G170 PolarHBondContact O-N 3.08Å; A166-G170 VanDerWaalsContact O-N 3.09Å; A166-P315 HydrophobicContact CB-CG 4.11Å
167	L	88.2	Confident	87.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.9	-46.8	174.5	-68.8	171.8	0	0	0	111.6	F134 L158 L162 G163 D164 D165 H169 G170 F171 I192	F134-L167 HydrophobicContact CD2-CD2 3.59Å; F134-L167 HydrophobicContact CE1-CD1 4.34Å; F134-L167 HydrophobicContact CE2-CD1 3.73Å; F134-L167 HydrophobicContact CE2-CD2 3.38Å; F134-L167 HydrophobicContact CE2-CG 4.21Å; F134-L167 HydrophobicContact CG-CD2 4.41Å; F134-L167 HydrophobicContact CZ-CD1 3.6Å; F134-L167 HydrophobicContact CZ-CD2 4.1Å; L158-L167 HydrophobicContact CB-CD2 3.95Å; L158-L167 HydrophobicContact CD2-CD2 3.87Å; L158-L167 HydrophobicContact CG-CD2 4.49Å; L162-L167 HydrophobicContact CB-CD2 3.87Å; L162-L167 HydrophobicContact CB-CG 3.91Å; L162-L167 HydrophobicContact CD1-CD2 4.26Å; G163-L167 PolarHBondContact O-N 3.22Å; G163-L167 VanDerWaalsContact O-N 3.15Å; D164-L167 WeakPolarHBondContact O-CB 3.34Å; D164-L167 PolarHBondContact O-N 2.89Å; D165-L167 VanDerWaalsContact C-N 3.33Å; L167-H169 VanDerWaalsContact C-N 3.27Å; L167-H169 PolarHBondContact O-N 2.78Å; L167-G170 PolarHBondContact O-N 3.19Å; L167-F171 WeakPolarHBondContact O-CB 3.33Å; L167-F171 WeakPolarHBondContact O-CG 3.45Å; L167-F171 PolarHBondContact O-N 3.43Å; L167-I192 HydrophobicContact CB-CD1 4.04Å; L167-I192 HydrophobicContact CB-CG2 4.25Å; L167-I192 HydrophobicContact CD1-CD1 3.44Å; L167-I192 VanDerWaalsContact CD1-CD1 3.44Å; L167-I192 HydrophobicContact CG-CD1 4.38Å
168	V	91.8	Very high	87.7	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.079	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-43	174.7	172.2	0	0	0	0	110.9	D164 N172 I192 R195	D164-V168 WeakPolarHBondContact O-CG2 3.21Å; D164-V168 PolarHBondContact O-N 3.39Å; V168-N172 VanDerWaalsContact CG1-ND2 3.35Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.44Å; V168-N172 VanDerWaalsContact O-CB 3.3Å; V168-N172 WeakPolarHBondContact O-CB 3.3Å; V168-N172 PolarHBondContact O-N 3.37Å; V168-N172 PolarHBondContact O-ND2 2.77Å; V168-I192 HydrophobicContact CG2-CG2 3.72Å; V168-R195 HydrophobicContact CG1-CB 4.1Å; V168-R195 HydrophobicContact CG2-CB 3.96Å
169	H	90.4	Very high	88	Confident	49 Å²	49	31.9 Å²	31.9	23%	0.227	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-51.4	176.7	174.6	67.3	0	0	0	111.9	D165 L167 F171 N172 E173 P315	D165-H169 WeakPolarHBondContact O-CB 3.34Å; D165-H169 PolarHBondContact O-N 3.29Å; L167-H169 VanDerWaalsContact C-N 3.27Å; L167-H169 PolarHBondContact O-N 2.78Å; H169-F171 PolarHBondContact O-N 2.88Å; H169-N172 PolarHBondContact O-N 3.21Å; H169-E173 IonicContact NE2-OE1 3.21Å; H169-E173 IonicContact NE2-OE2 2.79Å; H169-E173 VanDerWaalsContact O-CB 3.31Å; H169-E173 WeakPolarHBondContact O-CB 3.3Å; H169-E173 PolarHBondContact O-N 3.07Å; H169-P315 PolarHBondContact NE2-O 3.25Å
170	G	91.6	Very high	88.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-38.9	-178.9	0	0	0	0	0	113.8	A166 L167 T174	A166-G170 PolarHBondContact O-N 3.08Å; A166-G170 VanDerWaalsContact O-N 3.09Å; L167-G170 PolarHBondContact O-N 3.19Å; G170-T174 WeakPolarHBondContact O-CB 3.31Å; G170-T174 WeakPolarHBondContact O-CG2 3Å; G170-T174 PolarHBondContact O-N 3.4Å; G170-T174 VanDerWaalsContact O-N 3.11Å; G170-T174 PolarHBondContact O-OG1 3.45Å
171	F	94.4	Very high	89.6	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-41.9	174.7	-70.1	-18	0	0	0	112.7	A132 F134 L158 L167 H169 T174 E175 A176 V179 I192 C196 I199	A132-F171 HydrophobicContact CB-CD1 3.8Å; A132-F171 HydrophobicContact CB-CE1 3.71Å; F134-F171 HydrophobicContact CB-CZ 4.35Å; L158-F171 HydrophobicContact CD1-CD1 4.11Å; L158-F171 HydrophobicContact CD1-CE1 3.88Å; L167-F171 WeakPolarHBondContact O-CB 3.33Å; L167-F171 WeakPolarHBondContact O-CG 3.45Å; L167-F171 PolarHBondContact O-N 3.43Å; H169-F171 PolarHBondContact O-N 2.88Å; F171-T174 PolarHBondContact O-OG1 3.08Å; F171-T174 VanDerWaalsContact O-OG1 3.1Å; F171-E175 PolarHBondContact O-N 3.22Å; F171-A176 PolarHBondContact O-N 3.27Å; F171-V179 HydrophobicContact CE1-CG1 4.18Å; F171-V179 HydrophobicContact CE1-CG2 4.31Å; F171-V179 HydrophobicContact CZ-CG1 3.95Å; F171-V179 HydrophobicContact CZ-CG2 4.36Å; F171-I192 HydrophobicContact CD2-CG2 3.83Å; F171-I192 HydrophobicContact CE2-CG2 3.78Å; F171-C196 HydrophobicContact CB-CB 4.31Å; F171-I199 HydrophobicContact CB-CD1 3.83Å; F171-I199 HydrophobicContact CD1-CD1 4.43Å; F171-I199 HydrophobicContact CD2-CD1 3.74Å; F171-I199 HydrophobicContact CE2-CD1 4.4Å; F171-I199 HydrophobicContact CG-CD1 3.76Å
172	N	95.2	Very high	90.5	Very high	55 Å²	55	25.6 Å²	25.6	29%	0.294	15%	0.146	S	C	.	.	H	α-helix	trans	-74	-39.4	178.8	-76.3	-30.2	0	0	0	112.6	V168 H169 E175 R195 C196	V168-N172 VanDerWaalsContact CG1-ND2 3.35Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.44Å; V168-N172 VanDerWaalsContact O-CB 3.3Å; V168-N172 WeakPolarHBondContact O-CB 3.3Å; V168-N172 PolarHBondContact O-N 3.37Å; V168-N172 PolarHBondContact O-ND2 2.77Å; H169-N172 PolarHBondContact O-N 3.21Å; N172-E175 PolarHBondContact O-N 2.51Å; N172-R195 PolarHBondContact ND2-O 3.38Å; N172-C196 VanDerWaalsContact OD1-CA 3.31Å; N172-C196 WeakPolarHBondContact OD1-CA 3.46Å
173	E	94.7	Very high	91.3	Very high	28 Å²	28	24.9 Å²	24.9	13%	0.131	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-44.3	178.3	-170.3	-176.4	-128.9	0	0	110.3	H169 E175 Y307 Y562 K563 Q564	H169-E173 IonicContact NE2-OE1 3.21Å; H169-E173 IonicContact NE2-OE2 2.79Å; H169-E173 VanDerWaalsContact O-CB 3.31Å; H169-E173 WeakPolarHBondContact O-CB 3.3Å; H169-E173 PolarHBondContact O-N 3.07Å; E173-E175 PolarHBondContact O-N 2.93Å; E173-Y307 WeakPolarHBondContact OE2-CE1 3.4Å; E173-Y307 VanDerWaalsContact OE2-CZ 3.23Å; E173-Y307 PolarHBondContact OE2-OH 3.19Å; E173-Y562 HydrophobicContact CG-CD1 4.07Å; E173-Y562 HydrophobicContact CG-CE1 4.37Å; E173-Y562 WeakPolarHBondContact O-CE1 3.48Å; E173-K563 HydrophobicContact CG-CD 4.39Å; E173-K563 WeakPolarHBondContact O-CD 3.35Å; E173-K563 WeakPolarHBondContact O-CE 3.44Å; E173-K563 PolarHBondContact O-NZ 2.91Å; E173-Q564 PolarHBondContact OE1-NE2 3.13Å
174	T	94.8	Very high	91.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-70.2	-16.8	176.2	52.8	0	0	0	0	114.3	P130 A156 G170 F171 A176 I305 Y307 Y562	P130-T174 WeakPolarHBondContact CD-O 3.41Å; A156-T174 HydrophobicContact CB-CG2 3.49Å; A156-T174 VanDerWaalsContact CB-CG2 3.49Å; G170-T174 WeakPolarHBondContact O-CB 3.31Å; G170-T174 WeakPolarHBondContact O-CG2 3Å; G170-T174 PolarHBondContact O-N 3.4Å; G170-T174 VanDerWaalsContact O-N 3.11Å; G170-T174 PolarHBondContact O-OG1 3.45Å; F171-T174 PolarHBondContact O-OG1 3.08Å; F171-T174 VanDerWaalsContact O-OG1 3.1Å; T174-A176 PolarHBondContact O-N 2.9Å; T174-I305 HydrophobicContact CG2-CD1 4.42Å; T174-Y307 HydrophobicContact CG2-CE2 3.81Å; T174-Y307 WeakPolarHBondContact CG2-OH 3.49Å; T174-Y562 HydrophobicContact CG2-CE1 4.34Å
175	E	94.8	Very high	92	Very high	98 Å²	98	22.6 Å²	22.6	46%	0.458	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	34	-170.2	-62.8	166.1	-157.2	0	0	111.8	F171 N172 E173 V177 K563	F171-E175 PolarHBondContact O-N 3.22Å; N172-E175 PolarHBondContact O-N 2.51Å; E173-E175 PolarHBondContact O-N 2.93Å; E175-V177 PolarHBondContact O-N 2.67Å; E175-K563 IonicContact OE1-NZ 2.72Å; E175-K563 PolarHBondContact OE1-NZ 3.48Å; E175-K563 IonicContact OE2-NZ 3.29Å
176	A	94.1	Very high	92.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.			trans	-59.7	133	-174.3	0	0	0	0	0	110.9	P130 A132 F171 T174 S198 I199	P130-A176 WeakPolarHBondContact O-CA 3.3Å; A132-A176 HydrophobicContact CB-CB 3.83Å; F171-A176 PolarHBondContact O-N 3.27Å; T174-A176 PolarHBondContact O-N 2.9Å; A176-S198 CarbonylContact O-C 3.59Å; A176-I199 WeakPolarHBondContact O-CA 3.47Å; A176-I199 WeakPolarHBondContact O-CG1 3.34Å; A176-I199 PolarHBondContact O-N 3.07Å
177	V	94.1	Very high	92.8	Very high	24 Å²	24	18 Å²	18	15%	0.145	9%	0.092	C	C	.	.	S	Bend	trans	-91.7	-27.9	176.7	179.8	0	0	0	0	111.3	Q129 E175 S198 Q200 R201	Q129-V177 HydrophobicContact CB-CG2 4.16Å; Q129-V177 HydrophobicContact CG-CG2 4.04Å; E175-V177 PolarHBondContact O-N 2.67Å; V177-S198 WeakPolarHBondContact CA-O 3.5Å; V177-Q200 HydrophobicContact CG1-CB 4Å; V177-Q200 HydrophobicContact CG1-CG 4.15Å; V177-Q200 PolarHBondContact O-N 3.49Å; V177-R201 PolarHBondContact O-N 3.5Å
178	V	96.4	Very high	93	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	-177.5	-175	0	0	0	0	109.7	L121 I131 A132 R201 I203	L121-V178 HydrophobicContact CD1-CG2 4.04Å; L121-V178 HydrophobicContact CD2-CG2 3.46Å; L121-V178 VanDerWaalsContact CD2-CG2 3.46Å; L121-V178 HydrophobicContact CG-CG2 4.36Å; I131-V178 HydrophobicContact CG1-CB 4.33Å; I131-V178 HydrophobicContact CG2-CB 4.14Å; I131-V178 HydrophobicContact CG2-CG1 4.21Å; A132-V178 PolarHBondContact N-O 3.38Å; V178-R201 WeakPolarHBondContact CA-O 3.42Å; V178-R201 HydrophobicContact CG2-CB 4.3Å; V178-I203 HydrophobicContact CG1-CD1 3.7Å; V178-I203 HydrophobicContact CG1-CG1 4.1Å
179	V	97.2	Very high	93.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	170.7	-174.5	0	0	0	0	110.3	A132 F171 V189 I199 R201 I202 I203	A132-V179 HydrophobicContact CB-CG1 4.45Å; A132-V179 HydrophobicContact CB-CG2 4.16Å; A132-V179 CarbonylContact O-C 3.54Å; A132-V179 WeakPolarHBondContact O-CA 3.35Å; F171-V179 HydrophobicContact CE1-CG1 4.18Å; F171-V179 HydrophobicContact CE1-CG2 4.31Å; F171-V179 HydrophobicContact CZ-CG1 3.95Å; F171-V179 HydrophobicContact CZ-CG2 4.36Å; V179-V189 HydrophobicContact CG1-CG1 4.14Å; V179-I199 HydrophobicContact CG2-CD1 3.46Å; V179-I199 VanDerWaalsContact CG2-CD1 3.46Å; V179-I199 HydrophobicContact CG2-CG1 3.92Å; V179-I199 HydrophobicContact CG2-CG2 3.93Å; V179-R201 PolarHBondContact N-O 2.93Å; V179-I202 CarbonylContact O-C 3.46Å; V179-I202 WeakPolarHBondContact O-CA 3.36Å; V179-I203 PolarHBondContact O-N 2.83Å
180	F	97.7	Very high	93.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.4	163.2	-81	-74.2	0	0	0	110.7	L113 L117 I131 A132 L133 F134 A144 I203 F205	L113-F180 HydrophobicContact CD1-CE1 4.41Å; L113-F180 HydrophobicContact CD1-CZ 4.31Å; L113-F180 HydrophobicContact CD2-CZ 4.49Å; L117-F180 HydrophobicContact CD1-CE2 4.23Å; L117-F180 HydrophobicContact CD1-CZ 3.96Å; L117-F180 HydrophobicContact CD2-CE2 4.4Å; L117-F180 HydrophobicContact CD2-CZ 4Å; L117-F180 HydrophobicContact CG-CZ 4.42Å; I131-F180 HydrophobicContact CG2-CD2 3.6Å; I131-F180 HydrophobicContact CG2-CE2 3.84Å; A132-F180 PolarHBondContact O-N 3.45Å; L133-F180 HydrophobicContact CB-CB 4.34Å; L133-F180 HydrophobicContact CD1-CB 4.22Å; L133-F180 HydrophobicContact CD1-CD2 4.4Å; L133-F180 HydrophobicContact CG-CB 3.8Å; F134-F180 PolarHBondContact N-O 2.79Å; A144-F180 HydrophobicContact CB-CD1 4.01Å; A144-F180 HydrophobicContact CB-CD2 4.07Å; A144-F180 HydrophobicContact CB-CE1 3.98Å; A144-F180 HydrophobicContact CB-CE2 4.07Å; A144-F180 HydrophobicContact CB-CG 4.04Å; A144-F180 HydrophobicContact CB-CZ 4.02Å; F180-I203 CarbonylContact C-O 3.55Å; F180-I203 VanDerWaalsContact CA-O 3.25Å; F180-I203 WeakPolarHBondContact CA-O 3.24Å; F180-I203 HydrophobicContact CD1-CB 3.64Å; F180-I203 HydrophobicContact CD1-CD1 4.46Å; F180-I203 HydrophobicContact CD1-CG2 3.78Å; F180-I203 HydrophobicContact CE1-CB 3.59Å; F180-I203 HydrophobicContact CE1-CD1 3.77Å; F180-I203 HydrophobicContact CE1-CG1 4.29Å; F180-I203 HydrophobicContact CE1-CG2 3.43Å; F180-I203 VanDerWaalsContact CE1-CG2 3.43Å; F180-I203 HydrophobicContact CE2-CD1 4.3Å; F180-I203 HydrophobicContact CG-CB 4.47Å; F180-I203 HydrophobicContact CZ-CB 4.35Å; F180-I203 HydrophobicContact CZ-CD1 3.67Å; F180-I203 HydrophobicContact CZ-CG2 4.38Å; F180-F205 HydrophobicContact CB-CE1 4.28Å; F180-F205 HydrophobicContact CB-CZ 3.83Å; F180-F205 HydrophobicContact CD1-CD1 4.5Å; F180-F205 AromaticContact CD1-CE1 3.46Å; F180-F205 HydrophobicContact CD1-CE1 3.46Å; F180-F205 VanDerWaalsContact CD1-CE1 3.46Å; F180-F205 AromaticContact CD1-CZ 3.85Å; F180-F205 HydrophobicContact CD1-CZ 3.85Å; F180-F205 HydrophobicContact CE1-CE1 4.15Å; F180-F205 HydrophobicContact CG-CE1 4.23Å; F180-F205 HydrophobicContact CG-CZ 4.16Å
181	T	95.6	Very high	93.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.7	177.1	-161.8	0	0	0	0	113.7	F134 L185 L186 V189 I202 I203 Y204 F205	F134-T181 WeakPolarHBondContact O-CA 3.4Å; F134-T181 WeakPolarHBondContact O-CB 3.35Å; F134-T181 PolarHBondContact O-OG1 3Å; T181-L185 WeakPolarHBondContact OG1-CB 3.14Å; T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 4.03Å; T181-V189 HydrophobicContact CG2-CB 4.39Å; T181-V189 HydrophobicContact CG2-CG2 4Å; T181-V189 WeakPolarHBondContact OG1-CG2 3.43Å; T181-I202 HydrophobicContact CG2-CG2 3.84Å; T181-I203 PolarHBondContact N-O 3.45Å; T181-Y204 CarbonylContact O-C 3.54Å; T181-Y204 WeakPolarHBondContact O-CA 3.21Å; T181-F205 VanDerWaalsContact O-CD2 3.3Å; T181-F205 WeakPolarHBondContact O-CD2 3.44Å; T181-F205 WeakPolarHBondContact O-CG 3.46Å; T181-F205 PolarHBondContact O-N 3.36Å
182	S	91.5	Very high	93.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	156.1	172.4	56.4	0	0	0	0	111.4	E136 E184 L185 L186	E136-S182 PolarHBondContact OE2-OG 3.04Å; E136-S182 VanDerWaalsContact OE2-OG 3.05Å; S182-E184 VanDerWaalsContact CB-OE2 3.28Å; S182-E184 WeakPolarHBondContact CB-OE2 3.43Å; S182-E184 PolarHBondContact O-N 3.03Å; S182-E184 PolarHBondContact OG-OE2 2.85Å; S182-L185 PolarHBondContact O-N 3.16Å; S182-L185 VanDerWaalsContact O-N 3.1Å; S182-L185 WeakPolarHBondContact OG-CD1 3.37Å; S182-L185 VanDerWaalsContact OG-CG 3.27Å; S182-L185 WeakPolarHBondContact OG-CG 3.38Å; S182-L186 PolarHBondContact O-N 3.2Å
183	D	88.8	Confident	93	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-34	175.2	60.5	13.1	0	0	0	112.4	L185 L186 Y204 F205 N207 A228 S231 V232	D183-L185 VanDerWaalsContact C-N 3.31Å; D183-L185 PolarHBondContact O-N 3.48Å; D183-L186 PolarHBondContact O-N 3.25Å; D183-Y204 HydrophobicContact CB-CD2 4.22Å; D183-F205 WeakPolarHBondContact CB-O 3.31Å; D183-F205 PolarHBondContact N-O 2.91Å; D183-F205 VanDerWaalsContact N-O 3.1Å; D183-N207 PolarHBondContact OD1-ND2 3.2Å; D183-N207 WeakPolarHBondContact OD2-CB 3.44Å; D183-N207 PolarHBondContact OD2-N 3.33Å; D183-N207 PolarHBondContact OD2-ND2 3.44Å; D183-A228 HydrophobicContact CB-CB 4.28Å; D183-A228 WeakPolarHBondContact OD1-CB 3.35Å; D183-S231 WeakPolarHBondContact O-CB 3.4Å; D183-S231 PolarHBondContact O-OG 2.96Å; D183-V232 HydrophobicContact CB-CG2 3.8Å
184	E	84.4	Confident	92.8	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.5	175.9	-59.6	100.1	161.1	0	0	113.4	R138 S182 N207 A228 S231	R138-E184 IonicContact NH1-OE2 3.64Å; S182-E184 VanDerWaalsContact CB-OE2 3.28Å; S182-E184 WeakPolarHBondContact CB-OE2 3.43Å; S182-E184 PolarHBondContact O-N 3.03Å; S182-E184 PolarHBondContact OG-OE2 2.85Å; E184-N207 PolarHBondContact OE1-ND2 3.36Å; E184-A228 HydrophobicContact CG-CB 4.25Å; E184-S231 PolarHBondContact O-OG 2.95Å
185	L	90.2	Very high	92.8	Very high	21 Å²	21	32.4 Å²	32.4	11%	0.11	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9.4	-178.2	-64.6	176.2	0	0	0	113	F134 A160 T181 S182 D183 S187 K188 V189	F134-L185 HydrophobicContact CD1-CB 4.41Å; F134-L185 HydrophobicContact CD1-CD1 4.18Å; F134-L185 HydrophobicContact CE1-CB 3.92Å; F134-L185 HydrophobicContact CE1-CD1 3.82Å; F134-L185 HydrophobicContact CE1-CD2 4.37Å; F134-L185 HydrophobicContact CE1-CG 4.26Å; F134-L185 HydrophobicContact CZ-CD1 4.07Å; F134-L185 HydrophobicContact CZ-CD2 4.42Å; A160-L185 HydrophobicContact CB-CD1 3.78Å; T181-L185 WeakPolarHBondContact OG1-CB 3.14Å; S182-L185 PolarHBondContact O-N 3.16Å; S182-L185 VanDerWaalsContact O-N 3.1Å; S182-L185 WeakPolarHBondContact OG-CD1 3.37Å; S182-L185 VanDerWaalsContact OG-CG 3.27Å; S182-L185 WeakPolarHBondContact OG-CG 3.38Å; D183-L185 VanDerWaalsContact C-N 3.31Å; D183-L185 PolarHBondContact O-N 3.48Å; L185-S187 PolarHBondContact O-N 3.44Å; L185-K188 WeakPolarHBondContact O-CA 3.17Å; L185-K188 WeakPolarHBondContact O-CB 3.22Å; L185-K188 PolarHBondContact O-N 3.01Å; L185-K188 VanDerWaalsContact O-N 3.07Å; L185-V189 WeakPolarHBondContact O-CG2 3.12Å; L185-V189 PolarHBondContact O-N 2.97Å
186	L	92.7	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-56.7	-46.6	-172.4	178.6	58.9	0	0	0	114	T181 S182 D183 K188 V189 I190 I202 Y204 V232 A235 L245	T181-L186 HydrophobicContact CG2-CB 4.38Å; T181-L186 HydrophobicContact CG2-CD1 4.03Å; S182-L186 PolarHBondContact O-N 3.2Å; D183-L186 PolarHBondContact O-N 3.25Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 2.68Å; L186-V189 PolarHBondContact O-N 2.87Å; L186-V189 VanDerWaalsContact O-N 3.16Å; L186-I190 HydrophobicContact CD1-CD1 4.12Å; L186-I190 HydrophobicContact CD1-CG1 4.34Å; L186-I190 HydrophobicContact CG-CD1 4.24Å; L186-I190 PolarHBondContact O-N 3.47Å; L186-I202 HydrophobicContact CD1-CD1 4.45Å; L186-I202 HydrophobicContact CD1-CG2 3.65Å; L186-Y204 HydrophobicContact CD2-CD1 3.96Å; L186-Y204 HydrophobicContact CD2-CD2 4.2Å; L186-Y204 HydrophobicContact CD2-CE1 4.42Å; L186-Y204 HydrophobicContact CD2-CG 3.84Å; L186-V232 HydrophobicContact CD2-CG2 4.11Å; L186-A235 HydrophobicContact CD2-CB 3.57Å; L186-A235 HydrophobicContact CG-CB 3.58Å; L186-L245 HydrophobicContact CD1-CD1 3.59Å; L186-L245 HydrophobicContact CD2-CD1 4.12Å; L186-L245 HydrophobicContact CD2-CD2 4.16Å; L186-L245 HydrophobicContact CG-CD1 4.46Å
187	S	91	Very high	92.6	Very high	25 Å²	25	33.4 Å²	33.4	18%	0.175	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-39	177	55.3	0	0	0	0	112.6	L185 K191 S231	L185-S187 PolarHBondContact O-N 3.44Å; S187-K191 PolarHBondContact O-N 3.26Å; S187-S231 WeakPolarHBondContact CB-OG 3.47Å; S187-S231 PolarHBondContact N-OG 3.48Å; S187-S231 PolarHBondContact OG-OG 2.81Å
188	K	91	Very high	92.6	Very high	55 Å²	55	34.1 Å²	34.1	24%	0.239	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-46.4	173.5	177.7	175.8	178	178.5	0	110.6	F134 L162 D164 L185 L186 I190 K191 I192	F134-K188 HydrophobicContact CZ-CD 4.41Å; L162-K188 PolarHBondContact O-NZ 3.46Å; D164-K188 WeakPolarHBondContact OD1-CE 3.29Å; D164-K188 IonicContact OD1-NZ 2.69Å; L185-K188 WeakPolarHBondContact O-CA 3.17Å; L185-K188 WeakPolarHBondContact O-CB 3.22Å; L185-K188 PolarHBondContact O-N 3.01Å; L185-K188 VanDerWaalsContact O-N 3.07Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 2.68Å; K188-I190 PolarHBondContact O-N 3.38Å; K188-K191 WeakPolarHBondContact O-CB 3.42Å; K188-K191 PolarHBondContact O-N 2.94Å; K188-I192 HydrophobicContact CD-CD1 4.37Å; K188-I192 HydrophobicContact CG-CD1 3.68Å; K188-I192 HydrophobicContact CG-CG1 4.49Å; K188-I192 VanDerWaalsContact O-CG1 3.3Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 2.91Å
189	V	93.6	Very high	92.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178	178.1	0	0	0	0	111.3	F134 V179 T181 L185 L186 K191 I192 V193 I202	F134-V189 HydrophobicContact CD1-CG2 3.46Å; F134-V189 VanDerWaalsContact CD1-CG2 3.46Å; F134-V189 HydrophobicContact CE1-CG2 3.7Å; V179-V189 HydrophobicContact CG1-CG1 4.14Å; T181-V189 HydrophobicContact CG2-CB 4.39Å; T181-V189 HydrophobicContact CG2-CG2 4Å; T181-V189 WeakPolarHBondContact OG1-CG2 3.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.12Å; L185-V189 PolarHBondContact O-N 2.97Å; L186-V189 PolarHBondContact O-N 2.87Å; L186-V189 VanDerWaalsContact O-N 3.16Å; V189-K191 VanDerWaalsContact C-N 3.33Å; V189-K191 PolarHBondContact O-N 2.92Å; V189-I192 PolarHBondContact O-N 3.27Å; V189-I192 VanDerWaalsContact O-N 3.08Å; V189-V193 HydrophobicContact CG1-CG2 3.74Å; V189-V193 WeakPolarHBondContact O-CB 3.3Å; V189-V193 VanDerWaalsContact O-CG2 3.23Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.04Å; V189-I202 HydrophobicContact CG1-CD1 3.69Å; V189-I202 HydrophobicContact CG1-CG1 4.24Å
190	I	94	Very high	92.4	Very high	3 Å²	3	39 Å²	39	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-40.4	178.8	-76.1	170.7	0	0	0	112.4	L186 K188 I192 I202 A235 K238 C239 L243	L186-I190 HydrophobicContact CD1-CD1 4.12Å; L186-I190 HydrophobicContact CD1-CG1 4.34Å; L186-I190 HydrophobicContact CG-CD1 4.24Å; L186-I190 PolarHBondContact O-N 3.47Å; K188-I190 PolarHBondContact O-N 3.38Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I190-I202 HydrophobicContact CG1-CD1 3.79Å; I190-A235 HydrophobicContact CD1-CB 3.23Å; I190-A235 WeakPolarHBondContact CD1-O 3.17Å; I190-K238 HydrophobicContact CG2-CB 4.47Å; I190-C239 HydrophobicContact CD1-CB 4.46Å; I190-L243 HydrophobicContact CG1-CD2 4.32Å
191	K	92.8	Very high	92.3	Very high	125 Å²	125	41.6 Å²	41.6	54%	0.543	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-44	172.7	-96.8	178.2	175.8	171.3	0	112.1	S187 K188 V189	S187-K191 PolarHBondContact O-N 3.26Å; K188-K191 WeakPolarHBondContact O-CB 3.42Å; K188-K191 PolarHBondContact O-N 2.94Å; V189-K191 VanDerWaalsContact C-N 3.33Å; V189-K191 PolarHBondContact O-N 2.92Å
192	I	91.9	Very high	92.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-71.4	-40.1	-176.4	-71.4	173	0	0	0	111.6	D164 L167 V168 F171 K188 V189 I190 Q194 R195 C196	D164-I192 HydrophobicContact CB-CD1 4.35Å; D164-I192 HydrophobicContact CB-CG1 4.39Å; L167-I192 HydrophobicContact CB-CD1 4.04Å; L167-I192 HydrophobicContact CB-CG2 4.25Å; L167-I192 HydrophobicContact CD1-CD1 3.44Å; L167-I192 VanDerWaalsContact CD1-CD1 3.44Å; L167-I192 HydrophobicContact CG-CD1 4.38Å; V168-I192 HydrophobicContact CG2-CG2 3.72Å; F171-I192 HydrophobicContact CD2-CG2 3.83Å; F171-I192 HydrophobicContact CE2-CG2 3.78Å; K188-I192 HydrophobicContact CD-CD1 4.37Å; K188-I192 HydrophobicContact CG-CD1 3.68Å; K188-I192 HydrophobicContact CG-CG1 4.49Å; K188-I192 VanDerWaalsContact O-CG1 3.3Å; K188-I192 WeakPolarHBondContact O-CG1 3.39Å; K188-I192 PolarHBondContact O-N 2.91Å; V189-I192 PolarHBondContact O-N 3.27Å; V189-I192 VanDerWaalsContact O-N 3.08Å; I190-I192 VanDerWaalsContact C-N 3.34Å; I192-Q194 PolarHBondContact O-N 3.35Å; I192-R195 WeakPolarHBondContact O-CB 3.49Å; I192-R195 PolarHBondContact O-N 2.83Å; I192-C196 PolarHBondContact O-SG 2.83Å; I192-C196 VanDerWaalsContact O-SG 3.39Å
193	V	92.3	Very high	92.6	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-26	-177.6	163.6	0	0	0	0	112.7	V189 R195 C196 I199 I202 L243	V189-V193 HydrophobicContact CG1-CG2 3.74Å; V189-V193 WeakPolarHBondContact O-CB 3.3Å; V189-V193 VanDerWaalsContact O-CG2 3.23Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.04Å; V193-R195 PolarHBondContact O-N 3.39Å; V193-R195 VanDerWaalsContact O-N 3.09Å; V193-C196 CarbonylContact O-C 3.56Å; V193-C196 WeakPolarHBondContact O-CA 3.34Å; V193-C196 PolarHBondContact O-N 3.47Å; V193-I199 HydrophobicContact CB-CG2 4.48Å; V193-I199 HydrophobicContact CG1-CB 3.94Å; V193-I199 HydrophobicContact CG1-CG2 3.73Å; V193-I199 HydrophobicContact CG2-CB 4.3Å; V193-I199 HydrophobicContact CG2-CD1 3.75Å; V193-I199 HydrophobicContact CG2-CG2 3.85Å; V193-I202 HydrophobicContact CG2-CD1 4.21Å; V193-L243 HydrophobicContact CG1-CD1 3.9Å; V193-L243 HydrophobicContact CG1-CD2 3.96Å
194	Q	90.4	Very high	92.9	Very high	128 Å²	128	43.1 Å²	43.1	60%	0.598	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22	172.1	-65.3	177.1	16.1	0	0	113.1	I192 P240	I192-Q194 PolarHBondContact O-N 3.35Å; Q194-P240 HydrophobicContact CG-CG 4.16Å
195	R	93.8	Very high	93.2	Very high	123 Å²	123	40.3 Å²	40.3	46%	0.464	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.4	175.3	-59.1	168.2	60.7	-171.4	-2.6	113	D165 V168 N172 I192 V193	D165-R195 IonicContact OD1-CZ 2.74Å; D165-R195 VanDerWaalsContact OD1-CZ 3.29Å; D165-R195 IonicContact OD1-NH1 3.32Å; D165-R195 PolarHBondContact OD1-NH1 3.17Å; D165-R195 IonicContact OD1-NH2 2.93Å; D165-R195 PolarHBondContact OD1-NH2 2.85Å; V168-R195 HydrophobicContact CG1-CB 4.1Å; V168-R195 HydrophobicContact CG2-CB 3.96Å; N172-R195 PolarHBondContact ND2-O 3.38Å; I192-R195 WeakPolarHBondContact O-CB 3.49Å; I192-R195 PolarHBondContact O-N 2.83Å; V193-R195 PolarHBondContact O-N 3.39Å; V193-R195 VanDerWaalsContact O-N 3.09Å
196	C	94.7	Very high	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	20%	0.202	C	C	.	.			trans	-128.8	86.7	-171.9	-53	0	0	0	0	110.6	F171 N172 I192 V193 S198 I199	F171-C196 HydrophobicContact CB-CB 4.31Å; N172-C196 VanDerWaalsContact OD1-CA 3.31Å; N172-C196 WeakPolarHBondContact OD1-CA 3.46Å; I192-C196 PolarHBondContact O-SG 2.83Å; I192-C196 VanDerWaalsContact O-SG 3.39Å; V193-C196 CarbonylContact O-C 3.56Å; V193-C196 WeakPolarHBondContact O-CA 3.34Å; V193-C196 PolarHBondContact O-N 3.47Å; C196-S198 VanDerWaalsContact C-N 3.26Å; C196-S198 PolarHBondContact O-N 3.28Å; C196-I199 HydrophobicContact CB-CD1 3.76Å; C196-I199 HydrophobicContact CB-CG1 4.31Å; C196-I199 PolarHBondContact O-N 3.47Å
197	P	91.3	Very high	91.2	Very high	118 Å²	118	42.5 Å²	42.5	77%	0.766	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.6	-167.9	26.3	-35.4	0	0	0	114.8	I199	P197-I199 VanDerWaalsContact C-N 3.34Å
198	S	93.7	Very high	89.3	Confident	39 Å²	39	43 Å²	43	27%	0.273	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-23.6	-179.3	-54.6	0	0	0	0	113.4	A176 V177 C196 Q200	A176-S198 CarbonylContact O-C 3.59Å; V177-S198 WeakPolarHBondContact CA-O 3.5Å; C196-S198 VanDerWaalsContact C-N 3.26Å; C196-S198 PolarHBondContact O-N 3.28Å; S198-Q200 PolarHBondContact O-N 3.28Å
199	I	95.2	Very high	87.1	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.213	C	C	.	.			trans	-76.8	121.5	-175.1	-66.1	170	0	0	0	109.6	F171 A176 V179 V193 C196 P197 L243	F171-I199 HydrophobicContact CB-CD1 3.83Å; F171-I199 HydrophobicContact CD1-CD1 4.43Å; F171-I199 HydrophobicContact CD2-CD1 3.74Å; F171-I199 HydrophobicContact CE2-CD1 4.4Å; F171-I199 HydrophobicContact CG-CD1 3.76Å; A176-I199 WeakPolarHBondContact O-CA 3.47Å; A176-I199 WeakPolarHBondContact O-CG1 3.34Å; A176-I199 PolarHBondContact O-N 3.07Å; V179-I199 HydrophobicContact CG2-CD1 3.46Å; V179-I199 VanDerWaalsContact CG2-CD1 3.46Å; V179-I199 HydrophobicContact CG2-CG1 3.92Å; V179-I199 HydrophobicContact CG2-CG2 3.93Å; V193-I199 HydrophobicContact CB-CG2 4.48Å; V193-I199 HydrophobicContact CG1-CB 3.94Å; V193-I199 HydrophobicContact CG1-CG2 3.73Å; V193-I199 HydrophobicContact CG2-CB 4.3Å; V193-I199 HydrophobicContact CG2-CD1 3.75Å; V193-I199 HydrophobicContact CG2-CG2 3.85Å; C196-I199 HydrophobicContact CB-CD1 3.76Å; C196-I199 HydrophobicContact CB-CG1 4.31Å; C196-I199 PolarHBondContact O-N 3.47Å; P197-I199 VanDerWaalsContact C-N 3.34Å; I199-L243 HydrophobicContact CG2-CD1 4.06Å
200	Q	94.2	Very high	84.6	Confident	102 Å²	102	43.7 Å²	43.7	48%	0.477	22%	0.223	S	C	.	.			trans	-116	-20.8	-179.4	-62.8	174.7	8.1	0	0	112.4	V177 S198 H244	V177-Q200 HydrophobicContact CG1-CB 4Å; V177-Q200 HydrophobicContact CG1-CG 4.15Å; V177-Q200 PolarHBondContact O-N 3.49Å; S198-Q200 PolarHBondContact O-N 3.28Å; Q200-H244 PolarHBondContact O-N 3.28Å
201	R	95.7	Very high	81.9	Confident	54 Å²	54	46.9 Å²	46.9	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.5	-176.3	-52.7	-170.9	174.6	-90.6	-9.2	111.9	I120 V177 V178 V179 H244 H246	I120-R201 VanDerWaalsContact CG2-CD 3.48Å; I120-R201 VanDerWaalsContact CG2-NE 3.34Å; V177-R201 PolarHBondContact O-N 3.5Å; V178-R201 WeakPolarHBondContact CA-O 3.42Å; V178-R201 HydrophobicContact CG2-CB 4.3Å; V179-R201 PolarHBondContact N-O 2.93Å; R201-H244 CarbonylContact C-O 3.49Å; R201-H244 VanDerWaalsContact CA-O 3.26Å; R201-H244 WeakPolarHBondContact CA-O 3.28Å; R201-H244 HydrophobicContact CG-CB 4.19Å; R201-H246 PolarHBondContact NH1-NE2 3.49Å; R201-H246 VanDerWaalsContact NH1-NE2 3.13Å
202	I	96.6	Very high	79.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.1	167.5	-60.7	173.6	0	0	0	107.8	V179 T181 L186 V189 I190 V193 L243 H244 L245 H246	V179-I202 CarbonylContact O-C 3.46Å; V179-I202 WeakPolarHBondContact O-CA 3.36Å; T181-I202 HydrophobicContact CG2-CG2 3.84Å; L186-I202 HydrophobicContact CD1-CD1 4.45Å; L186-I202 HydrophobicContact CD1-CG2 3.65Å; V189-I202 HydrophobicContact CG1-CD1 3.69Å; V189-I202 HydrophobicContact CG1-CG1 4.24Å; I190-I202 HydrophobicContact CG1-CD1 3.79Å; V193-I202 HydrophobicContact CG2-CD1 4.21Å; I202-L243 HydrophobicContact CD1-CD1 4.37Å; I202-L243 HydrophobicContact CD1-CD2 3.66Å; I202-L243 HydrophobicContact CD1-CG 4.31Å; I202-L243 HydrophobicContact CG1-CD1 4.16Å; I202-L243 HydrophobicContact CG1-CD2 4.32Å; I202-L243 HydrophobicContact CG1-CG 4.46Å; I202-H244 PolarHBondContact N-O 3.04Å; I202-L245 HydrophobicContact CB-CD1 3.83Å; I202-L245 HydrophobicContact CG2-CD1 3.88Å; I202-H246 PolarHBondContact O-N 3.5Å
203	I	96.7	Very high	77.5	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.4	172.8	-53.3	169.4	0	0	0	107.3	L117 V178 V179 F180 T181 H246 I248 V251	L117-I203 HydrophobicContact CD2-CD1 3.45Å; L117-I203 VanDerWaalsContact CD2-CD1 3.45Å; V178-I203 HydrophobicContact CG1-CD1 3.7Å; V178-I203 HydrophobicContact CG1-CG1 4.1Å; V179-I203 PolarHBondContact O-N 2.83Å; F180-I203 CarbonylContact C-O 3.55Å; F180-I203 VanDerWaalsContact CA-O 3.25Å; F180-I203 WeakPolarHBondContact CA-O 3.24Å; F180-I203 HydrophobicContact CD1-CB 3.64Å; F180-I203 HydrophobicContact CD1-CD1 4.46Å; F180-I203 HydrophobicContact CD1-CG2 3.78Å; F180-I203 HydrophobicContact CE1-CB 3.59Å; F180-I203 HydrophobicContact CE1-CD1 3.77Å; F180-I203 HydrophobicContact CE1-CG1 4.29Å; F180-I203 HydrophobicContact CE1-CG2 3.43Å; F180-I203 VanDerWaalsContact CE1-CG2 3.43Å; F180-I203 HydrophobicContact CE2-CD1 4.3Å; F180-I203 HydrophobicContact CG-CB 4.47Å; F180-I203 HydrophobicContact CZ-CB 4.35Å; F180-I203 HydrophobicContact CZ-CD1 3.67Å; F180-I203 HydrophobicContact CZ-CG2 4.38Å; T181-I203 PolarHBondContact N-O 3.45Å; I203-H246 CarbonylContact C-O 2.74Å; I203-H246 VanDerWaalsContact CA-O 3.27Å; I203-H246 WeakPolarHBondContact CA-O 3.44Å; I203-H246 HydrophobicContact CG1-CB 4.16Å; I203-I248 HydrophobicContact CG2-CB 4.18Å; I203-V251 HydrophobicContact CD1-CG2 4.23Å; I203-V251 HydrophobicContact CG1-CG2 4.35Å; I203-V251 HydrophobicContact CG2-CG2 4.04Å
204	Y	94.6	Very high	74.9	Confident	30 Å²	30	56.8 Å²	56.8	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	150.2	-176.1	69.9	-82.2	0	0	0	112.9	T181 D183 L186 T206 V232 L245 H246 D247 I248	T181-Y204 CarbonylContact O-C 3.54Å; T181-Y204 WeakPolarHBondContact O-CA 3.21Å; D183-Y204 HydrophobicContact CB-CD2 4.22Å; L186-Y204 HydrophobicContact CD2-CD1 3.96Å; L186-Y204 HydrophobicContact CD2-CD2 4.2Å; L186-Y204 HydrophobicContact CD2-CE1 4.42Å; L186-Y204 HydrophobicContact CD2-CG 3.84Å; Y204-T206 WeakPolarHBondContact CE2-OG1 3.15Å; Y204-V232 HydrophobicContact CE2-CG2 4.33Å; Y204-L245 HydrophobicContact CD1-CD1 3.54Å; Y204-L245 HydrophobicContact CD1-CD2 4.43Å; Y204-L245 HydrophobicContact CD1-CG 3.89Å; Y204-L245 HydrophobicContact CE1-CD1 3.97Å; Y204-L245 HydrophobicContact CE1-CD2 4.11Å; Y204-L245 HydrophobicContact CE1-CG 3.76Å; Y204-H246 WeakPolarHBondContact CD1-O 3.42Å; Y204-H246 WeakPolarHBondContact CE1-O 3.45Å; Y204-H246 PolarHBondContact N-O 3.2Å; Y204-D247 HydrophobicContact CE1-CB 4.24Å; Y204-I248 PolarHBondContact O-N 2.87Å
205	F	91.1	Very high	72.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	106.4	177.7	-47.2	-41.5	0	0	0	109.6	E140 A144 F180 T181 D183 I248	E140-F205 HydrophobicContact CB-CB 4.3Å; E140-F205 HydrophobicContact CB-CD1 3.81Å; E140-F205 HydrophobicContact CB-CD2 4.2Å; E140-F205 HydrophobicContact CB-CE1 4.09Å; E140-F205 HydrophobicContact CB-CE2 4.44Å; E140-F205 HydrophobicContact CB-CG 3.85Å; E140-F205 HydrophobicContact CB-CZ 4.39Å; E140-F205 HydrophobicContact CG-CB 4.47Å; E140-F205 HydrophobicContact CG-CD1 4.5Å; A144-F205 HydrophobicContact CB-CE1 4.23Å; A144-F205 HydrophobicContact CB-CZ 4.07Å; F180-F205 HydrophobicContact CB-CE1 4.28Å; F180-F205 HydrophobicContact CB-CZ 3.83Å; F180-F205 HydrophobicContact CD1-CD1 4.5Å; F180-F205 AromaticContact CD1-CE1 3.46Å; F180-F205 HydrophobicContact CD1-CE1 3.46Å; F180-F205 VanDerWaalsContact CD1-CE1 3.46Å; F180-F205 AromaticContact CD1-CZ 3.85Å; F180-F205 HydrophobicContact CD1-CZ 3.85Å; F180-F205 HydrophobicContact CE1-CE1 4.15Å; F180-F205 HydrophobicContact CG-CE1 4.23Å; F180-F205 HydrophobicContact CG-CZ 4.16Å; T181-F205 VanDerWaalsContact O-CD2 3.3Å; T181-F205 WeakPolarHBondContact O-CD2 3.44Å; T181-F205 WeakPolarHBondContact O-CG 3.46Å; T181-F205 PolarHBondContact O-N 3.36Å; D183-F205 WeakPolarHBondContact CB-O 3.31Å; D183-F205 PolarHBondContact N-O 2.91Å; D183-F205 VanDerWaalsContact N-O 3.1Å; F205-I248 HydrophobicContact CD1-CB 4.09Å; F205-I248 HydrophobicContact CD1-CD1 3.73Å; F205-I248 HydrophobicContact CD1-CG1 4.42Å; F205-I248 HydrophobicContact CD1-CG2 4.24Å; F205-I248 HydrophobicContact CE1-CD1 3.79Å
206	T	80.3	Confident	69.8	Low	40 Å²	40	53.2 Å²	53.2	25%	0.245	28%	0.279	C	S	.	.			trans	-71.3	135.1	172.8	-61.4	0	0	0	0	110.6	Y204 G208 D247	Y204-T206 WeakPolarHBondContact CE2-OG1 3.15Å; T206-G208 VanDerWaalsContact C-N 3.26Å; T206-G208 PolarHBondContact O-N 3.19Å; T206-D247 WeakPolarHBondContact CB-OD2 3.4Å; T206-D247 PolarHBondContact OG1-OD2 2.74Å
207	N	60.8	Low	66.9	Low	27 Å²	27	62 Å²	62	14%	0.144	32%	0.32	C	S	.	.			trans	-69	82.4	169.4	-79.6	-36.8	0	0	0	111.1	R138 D183 E184	R138-N207 PolarHBondContact NH1-OD1 3.43Å; R138-N207 PolarHBondContact NH2-OD1 2.97Å; R138-N207 VanDerWaalsContact NH2-OD1 3.12Å; D183-N207 PolarHBondContact OD1-ND2 3.2Å; D183-N207 WeakPolarHBondContact OD2-CB 3.44Å; D183-N207 PolarHBondContact OD2-N 3.33Å; D183-N207 PolarHBondContact OD2-ND2 3.44Å; E184-N207 PolarHBondContact OE1-ND2 3.36Å
208	G	50.6	Low	64.2	Low	34 Å²	34	59.1 Å²	59.1	35%	0.351	30%	0.301	S	S	.	.			trans	-128.6	118.6	169.9	0	0	0	0	0	109.7	T206 F210	T206-G208 VanDerWaalsContact C-N 3.26Å; T206-G208 PolarHBondContact O-N 3.19Å; G208-F210 VanDerWaalsContact C-N 3.3Å; G208-F210 PolarHBondContact O-N 2.95Å
209	V	44.5	Very low	61.3	Low	24 Å²	24	64.5 Å²	64.5	15%	0.145	33%	0.326	C	S	.	.			trans	-69.6	101.6	155	177.8	0	0	0	0	105.6	A75 N211	A75-V209 VanDerWaalsContact CA-CG2 3.45Å; A75-V209 HydrophobicContact CB-CB 4.15Å; A75-V209 HydrophobicContact CB-CG2 3.64Å; V209-N211 PolarHBondContact O-N 3.43Å
210	F	40.9	Very low	58.4	Low	46 Å²	46	69 Å²	69	20%	0.202	35%	0.35	C	S	.	.			trans	-56.5	128.7	-176.4	-169.4	-112.8	0	0	0	110.8	G208 R212 Y215	G208-F210 VanDerWaalsContact C-N 3.3Å; G208-F210 PolarHBondContact O-N 2.95Å; F210-R212 HydrophobicContact CB-CG 4.44Å; F210-R212 HydrophobicContact CD1-CB 3.96Å; F210-R212 HydrophobicContact CD1-CG 3.61Å; F210-R212 HydrophobicContact CE1-CB 4.24Å; F210-R212 HydrophobicContact CE1-CG 4.38Å; F210-R212 HydrophobicContact CG-CG 4.45Å; F210-R212 VanDerWaalsContact O-CG 3.25Å; F210-R212 WeakPolarHBondContact O-CG 3.47Å; F210-Y215 AromaticContact CZ-CD1 3.94Å; F210-Y215 HydrophobicContact CZ-CD1 3.94Å; F210-Y215 AromaticContact CZ-CE1 3.97Å; F210-Y215 HydrophobicContact CZ-CE1 3.97Å
211	N	38.4	Very low	55.7	Low	70 Å²	70	68.7 Å²	68.7	37%	0.374	35%	0.352	S	S	.	.			trans	-85.2	115.8	164.3	-169.4	-16.7	0	0	0	108.7	V209 V218 L221	V209-N211 PolarHBondContact O-N 3.43Å; N211-V218 HydrophobicContact CB-CB 4.33Å; N211-V218 HydrophobicContact CB-CG2 4.45Å; N211-L221 HydrophobicContact CB-CD1 3.91Å
212	R	49	Very low	53.4	Low	50 Å²	50	66.3 Å²	66.3	19%	0.189	34%	0.344	C	S	.	.			trans	-94.3	-6.8	-148.8	-51.9	-142.6	164.7	108.2	2.2	116.8	W100 E101 F210	W100-R212 PolarHBondContact O-NH1 3.46Å; W100-R212 VanDerWaalsContact O-NH1 3.12Å; E101-R212 VanDerWaalsContact CD-CZ 3.47Å; E101-R212 IonicContact OE1-CZ 2.78Å; E101-R212 IonicContact OE1-NH2 3.89Å; E101-R212 PolarHBondContact OE1-NH2 3.46Å; E101-R212 IonicContact OE2-NH2 2.99Å; F210-R212 HydrophobicContact CB-CG 4.44Å; F210-R212 HydrophobicContact CD1-CB 3.96Å; F210-R212 HydrophobicContact CD1-CG 3.61Å; F210-R212 HydrophobicContact CE1-CB 4.24Å; F210-R212 HydrophobicContact CE1-CG 4.38Å; F210-R212 HydrophobicContact CG-CG 4.45Å; F210-R212 VanDerWaalsContact O-CG 3.25Å; F210-R212 WeakPolarHBondContact O-CG 3.47Å
213	E	41.6	Very low	51.1	Low	180 Å²	180	70 Å²	70	84%	0.841	37%	0.366	S	S	*	.	S	Bend	trans	-97.5	-20.7	-174.2	-70.4	-174.7	170.8	0	0	115.1
214	L	38.8	Very low	49.2	Very low	118 Å²	118	71.2 Å²	71.2	62%	0.618	37%	0.374	S	S	*	.	S	Bend	trans	-117.9	-10.3	-164.5	-71.1	166.3	0	0	0	116.3	T216	L214-T216 HydrophobicContact CB-CG2 4.47Å; L214-T216 WeakPolarHBondContact CB-OG1 3.13Å; L214-T216 PolarHBondContact O-N 2.73Å
215	Y	43.9	Very low	47.8	Very low	93 Å²	93	70.3 Å²	70.3	37%	0.365	37%	0.372	S	S	.	.			trans	47.3	13.3	-172.7	-78.2	-81.4	0	0	0	115.1	H112 F210 R253	H112-Y215 PolarHBondContact CE1-OH 2.84Å; F210-Y215 AromaticContact CZ-CD1 3.94Å; F210-Y215 HydrophobicContact CZ-CD1 3.94Å; F210-Y215 AromaticContact CZ-CE1 3.97Å; F210-Y215 HydrophobicContact CZ-CE1 3.97Å; Y215-R253 PolarHBondContact O-NH2 3.45Å
216	T	34	Very low	46.5	Very low	83 Å²	83	71.9 Å²	71.9	51%	0.509	39%	0.389	S	S	.	.	S	Bend	trans	-83.4	150.8	173.7	44.6	0	0	0	0	108.9	L214 V218	L214-T216 HydrophobicContact CB-CG2 4.47Å; L214-T216 WeakPolarHBondContact CB-OG1 3.13Å; L214-T216 PolarHBondContact O-N 2.73Å; T216-V218 PolarHBondContact O-N 3.31Å; T216-V218 WeakPolarHBondContact OG1-CG2 3.35Å
217	E	33.3	Very low	45.9	Very low	185 Å²	185	72.3 Å²	72.3	86%	0.864	39%	0.393	S	S	*	.			trans	-59.6	84	157.3	-74.6	178.1	169.6	0	0	107.3	D219	E217-D219 PolarHBondContact O-N 2.82Å
218	V	33.6	Very low	46.4	Very low	59 Å²	59	71.1 Å²	71.1	36%	0.358	39%	0.387	S	S	.	.			trans	-82	111.5	162.1	-176	0	0	0	0	104.1	N211 T216 N220	N211-V218 HydrophobicContact CB-CB 4.33Å; N211-V218 HydrophobicContact CB-CG2 4.45Å; T216-V218 PolarHBondContact O-N 3.31Å; T216-V218 WeakPolarHBondContact OG1-CG2 3.35Å; V218-N220 PolarHBondContact O-N 3.02Å
219	D	33.7	Very low	47.6	Very low	151 Å²	151	73 Å²	73	81%	0.807	39%	0.392	S	S	*	.			trans	-21.5	99.8	171.5	-85.9	-38.5	0	0	0	111.5	E217 L221	E217-D219 PolarHBondContact O-N 2.82Å; D219-L221 PolarHBondContact O-N 2.96Å
220	N	34.5	Very low	49.2	Very low	98 Å²	98	74.7 Å²	74.7	52%	0.524	41%	0.408	S	S	.	.			trans	11.7	80.9	158.9	-73.6	-26.8	0	0	0	114.8	V218 A222	V218-N220 PolarHBondContact O-N 3.02Å; N220-A222 WeakPolarHBondContact CB-O 3.25Å; N220-A222 CarbonylContact O-C 3.56Å; N220-A222 PolarHBondContact O-N 2.74Å; N220-A222 VanDerWaalsContact O-N 3.15Å
221	L	37.8	Very low	51.2	Low	97 Å²	97	72.7 Å²	72.7	51%	0.508	40%	0.4	S	S	.	.	S	Bend	trans	-61	-21.5	171.7	-75.7	176.8	0	0	0	112.1	N211 D219	N211-L221 HydrophobicContact CB-CD1 3.91Å; D219-L221 PolarHBondContact O-N 2.96Å
222	A	46.3	Very low	53.4	Low	4 Å²	4	70.6 Å²	70.6	3%	0.033	39%	0.389	C	S	.	.	S	Bend	trans	-102.1	120.3	161.9	0	0	0	0	0	108	V76 N220 P224	V76-A222 WeakPolarHBondContact O-CA 3.43Å; N220-A222 WeakPolarHBondContact CB-O 3.25Å; N220-A222 CarbonylContact O-C 3.56Å; N220-A222 PolarHBondContact O-N 2.74Å; N220-A222 VanDerWaalsContact O-N 3.15Å; A222-P224 VanDerWaalsContact O-CD 3.22Å; A222-P224 WeakPolarHBondContact O-CD 3.33Å
223	V	49.4	Very low	55.1	Low	78 Å²	78	70.7 Å²	70.7	47%	0.473	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65.2	116.8	166.3	179.9	0	0	0	0	105.4	V76 S225	V76-V223 PolarHBondContact O-N 2.86Å; V223-S225 PolarHBondContact O-N 3.48Å
224	P	56.6	Low	57.2	Low	29 Å²	29	65.2 Å²	65.2	19%	0.188	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-54.7	138.5	174.3	-20.6	31.5	0	0	0	108	A222 G226	A222-P224 VanDerWaalsContact O-CD 3.22Å; A222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-G226 PolarHBondContact O-N 3.32Å
225	S	64.1	Low	59.5	Low	10 Å²	10	59.6 Å²	59.6	7%	0.07	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-56.4	142.1	174.5	68.2	0	0	0	0	108.5	V223 S227 A228 T229	V223-S225 PolarHBondContact O-N 3.48Å; S225-S227 PolarHBondContact O-N 3.31Å; S225-S227 PolarHBondContact OG-OG 2.98Å; S225-A228 WeakPolarHBondContact O-CA 3.38Å; S225-A228 WeakPolarHBondContact O-CB 3.48Å; S225-A228 PolarHBondContact O-N 2.68Å; S225-A228 VanDerWaalsContact OG-CB 3.31Å; S225-A228 WeakPolarHBondContact OG-CB 3.33Å; S225-A228 PolarHBondContact OG-N 3.44Å; S225-A228 VanDerWaalsContact OG-N 3.1Å; S225-T229 PolarHBondContact O-N 3.37Å; S225-T229 PolarHBondContact O-OG1 3.38Å
226	G	64.3	Low	61.5	Low	34 Å²	34	60.5 Å²	60.5	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-58.2	-24.4	178.7	0	0	0	0	0	112.5	Y81 P224 A230	Y81-G226 WeakPolarHBondContact OH-CA 3.27Å; Y81-G226 PolarHBondContact OH-N 2.93Å; P224-G226 PolarHBondContact O-N 3.32Å; G226-A230 WeakPolarHBondContact O-CB 3.49Å; G226-A230 PolarHBondContact O-N 3.05Å
227	S	68.5	Low	64.1	Low	49 Å²	49	62.2 Å²	62.2	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-43.6	169.1	40.6	0	0	0	0	113.3	Y81 S225 A230 S231	Y81-S227 PolarHBondContact OH-N 3.3Å; S225-S227 PolarHBondContact O-N 3.31Å; S225-S227 PolarHBondContact OG-OG 2.98Å; S227-A230 PolarHBondContact O-N 3.39Å; S227-S231 VanDerWaalsContact O-CB 3.25Å; S227-S231 WeakPolarHBondContact O-CB 3.47Å; S227-S231 PolarHBondContact O-N 2.8Å
228	A	70.9	Confident	66.8	Low	1 Å²	1	58.5 Å²	58.5	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-64.3	-47.9	175.2	0	0	0	0	0	110.9	D183 E184 S225 A230 S231 V232	D183-A228 HydrophobicContact CB-CB 4.28Å; D183-A228 WeakPolarHBondContact OD1-CB 3.35Å; E184-A228 HydrophobicContact CG-CB 4.25Å; S225-A228 WeakPolarHBondContact O-CA 3.38Å; S225-A228 WeakPolarHBondContact O-CB 3.48Å; S225-A228 PolarHBondContact O-N 2.68Å; S225-A228 VanDerWaalsContact OG-CB 3.31Å; S225-A228 WeakPolarHBondContact OG-CB 3.33Å; S225-A228 PolarHBondContact OG-N 3.44Å; S225-A228 VanDerWaalsContact OG-N 3.1Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 3.13Å; A228-S231 WeakPolarHBondContact O-CB 3.27Å; A228-S231 PolarHBondContact O-N 3.25Å; A228-V232 WeakPolarHBondContact O-CG2 3.5Å; A228-V232 PolarHBondContact O-N 3.23Å
229	T	76.2	Confident	69.4	Low	75 Å²	75	57.4 Å²	57.4	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-58.8	-44.1	177	-49.7	0	0	0	0	111.6	S225 V232 A233	S225-T229 PolarHBondContact O-N 3.37Å; S225-T229 PolarHBondContact O-OG1 3.38Å; T229-V232 PolarHBondContact O-N 3.04Å; T229-A233 VanDerWaalsContact O-CB 3.27Å; T229-A233 WeakPolarHBondContact O-CB 3.31Å; T229-A233 PolarHBondContact O-N 3.14Å
230	A	78.2	Confident	72	Confident	58 Å²	58	51.9 Å²	51.9	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176.6	0	0	0	0	0	112	G226 S227 A228 A233 E234	G226-A230 WeakPolarHBondContact O-CB 3.49Å; G226-A230 PolarHBondContact O-N 3.05Å; S227-A230 PolarHBondContact O-N 3.39Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 3.13Å; A230-A233 PolarHBondContact O-N 3.5Å; A230-E234 VanDerWaalsContact O-CB 3.27Å; A230-E234 WeakPolarHBondContact O-CB 3.26Å; A230-E234 PolarHBondContact O-N 3.15Å
231	S	82.6	Confident	74.5	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.035	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-46.2	177.1	178	0	0	0	0	111.4	D183 E184 S187 S227 A228 A235	D183-S231 WeakPolarHBondContact O-CB 3.4Å; D183-S231 PolarHBondContact O-OG 2.96Å; E184-S231 PolarHBondContact O-OG 2.95Å; S187-S231 WeakPolarHBondContact CB-OG 3.47Å; S187-S231 PolarHBondContact N-OG 3.48Å; S187-S231 PolarHBondContact OG-OG 2.81Å; S227-S231 VanDerWaalsContact O-CB 3.25Å; S227-S231 WeakPolarHBondContact O-CB 3.47Å; S227-S231 PolarHBondContact O-N 2.8Å; A228-S231 WeakPolarHBondContact O-CB 3.27Å; A228-S231 PolarHBondContact O-N 3.25Å; S231-A235 WeakPolarHBondContact O-CB 3.05Å; S231-A235 PolarHBondContact O-N 3.27Å
232	V	83.5	Confident	77	Confident	25 Å²	25	54 Å²	54	15%	0.152	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-41.9	177.4	175.9	0	0	0	0	111.7	D183 L186 Y204 A228 T229 A235 L236	D183-V232 HydrophobicContact CB-CG2 3.8Å; L186-V232 HydrophobicContact CD2-CG2 4.11Å; Y204-V232 HydrophobicContact CE2-CG2 4.33Å; A228-V232 WeakPolarHBondContact O-CG2 3.5Å; A228-V232 PolarHBondContact O-N 3.23Å; T229-V232 PolarHBondContact O-N 3.04Å; V232-A235 WeakPolarHBondContact O-CB 3.4Å; V232-A235 PolarHBondContact O-N 3.41Å; V232-L236 HydrophobicContact CG1-CD1 3.94Å; V232-L236 HydrophobicContact CG1-CG 4.38Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.41Å; V232-L236 PolarHBondContact O-N 2.96Å
233	A	84.7	Confident	79.2	Confident	52 Å²	52	54.4 Å²	54.4	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-43.5	177.1	0	0	0	0	0	112.1	T229 A230 A235 T237	T229-A233 VanDerWaalsContact O-CB 3.27Å; T229-A233 WeakPolarHBondContact O-CB 3.31Å; T229-A233 PolarHBondContact O-N 3.14Å; A230-A233 PolarHBondContact O-N 3.5Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-T237 WeakPolarHBondContact O-CB 2.92Å; A233-T237 PolarHBondContact O-N 2.94Å; A233-T237 VanDerWaalsContact O-N 3.13Å; A233-T237 PolarHBondContact O-OG1 3.16Å
234	E	86.5	Confident	81.3	Confident	65 Å²	65	55.2 Å²	55.2	30%	0.304	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-44.6	173.7	179.7	175.7	179.6	0	0	110.7	A230 T237 K238	A230-E234 VanDerWaalsContact O-CB 3.27Å; A230-E234 WeakPolarHBondContact O-CB 3.26Å; A230-E234 PolarHBondContact O-N 3.15Å; E234-T237 PolarHBondContact O-N 2.79Å; E234-K238 HydrophobicContact CG-CD 3.74Å; E234-K238 HydrophobicContact CG-CG 4.31Å; E234-K238 WeakPolarHBondContact O-CB 3.45Å; E234-K238 WeakPolarHBondContact O-CG 2.99Å; E234-K238 PolarHBondContact O-N 3.43Å; E234-K238 WeakPolarHBondContact OE1-CE 3.3Å; E234-K238 IonicContact OE1-NZ 2.91Å; E234-K238 PolarHBondContact OE1-NZ 3.25Å
235	A	87.1	Confident	83.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-52.9	177.3	0	0	0	0	0	112.1	L186 I190 S231 V232 A233 T237 K238 C239	L186-A235 HydrophobicContact CD2-CB 3.57Å; L186-A235 HydrophobicContact CG-CB 3.58Å; I190-A235 HydrophobicContact CD1-CB 3.23Å; I190-A235 WeakPolarHBondContact CD1-O 3.17Å; S231-A235 WeakPolarHBondContact O-CB 3.05Å; S231-A235 PolarHBondContact O-N 3.27Å; V232-A235 WeakPolarHBondContact O-CB 3.4Å; V232-A235 PolarHBondContact O-N 3.41Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A235-T237 PolarHBondContact O-N 3.12Å; A235-K238 PolarHBondContact O-N 3.03Å; A235-C239 WeakPolarHBondContact O-CA 3.32Å; A235-C239 VanDerWaalsContact O-CB 3.25Å; A235-C239 WeakPolarHBondContact O-CB 3.46Å; A235-C239 PolarHBondContact O-N 3.44Å
236	L	86.4	Confident	84.5	Confident	112 Å²	112	56.2 Å²	56.2	59%	0.586	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-32.9	178.2	-71.3	168.5	0	0	0	112.5	V232 L245	V232-L236 HydrophobicContact CG1-CD1 3.94Å; V232-L236 HydrophobicContact CG1-CG 4.38Å; V232-L236 WeakPolarHBondContact O-CB 3.47Å; V232-L236 VanDerWaalsContact O-CG 3.28Å; V232-L236 WeakPolarHBondContact O-CG 3.41Å; V232-L236 PolarHBondContact O-N 2.96Å; L236-L245 HydrophobicContact CD2-CD2 3.76Å; L236-L245 HydrophobicContact CG-CD2 4.39Å
237	T	88.9	Confident	85.8	Confident	120 Å²	120	56 Å²	56	74%	0.736	33%	0.33	S	S	*	.	H	α-helix	trans	-77.5	-37.1	179	-53.3	0	0	0	0	112.6	A233 E234 A235	A233-T237 WeakPolarHBondContact O-CB 2.92Å; A233-T237 PolarHBondContact O-N 2.94Å; A233-T237 VanDerWaalsContact O-N 3.13Å; A233-T237 PolarHBondContact O-OG1 3.16Å; E234-T237 PolarHBondContact O-N 2.79Å; A235-T237 PolarHBondContact O-N 3.12Å
238	K	89.3	Confident	87	Confident	107 Å²	107	53.9 Å²	53.9	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-100	-1.1	-174.1	-64.7	-175	-176.2	175	0	113.8	I190 E234 A235 P240	I190-K238 HydrophobicContact CG2-CB 4.47Å; E234-K238 HydrophobicContact CG-CD 3.74Å; E234-K238 HydrophobicContact CG-CG 4.31Å; E234-K238 WeakPolarHBondContact O-CB 3.45Å; E234-K238 WeakPolarHBondContact O-CG 2.99Å; E234-K238 PolarHBondContact O-N 3.43Å; E234-K238 WeakPolarHBondContact OE1-CE 3.3Å; E234-K238 IonicContact OE1-NZ 2.91Å; E234-K238 PolarHBondContact OE1-NZ 3.25Å; A235-K238 PolarHBondContact O-N 3.03Å; K238-P240 WeakPolarHBondContact O-CD 3.42Å
239	C	88.6	Confident	88	Confident	35 Å²	35	55.3 Å²	55.3	24%	0.236	32%	0.322	C	S	.	.			trans	-61.6	121.9	-179.5	-164.2	0	0	0	0	110.2	I190 A235	I190-C239 HydrophobicContact CD1-CB 4.46Å; A235-C239 WeakPolarHBondContact O-CA 3.32Å; A235-C239 VanDerWaalsContact O-CB 3.25Å; A235-C239 WeakPolarHBondContact O-CB 3.46Å; A235-C239 PolarHBondContact O-N 3.44Å
240	P	88.1	Confident	88.7	Confident	35 Å²	35	56.7 Å²	56.7	23%	0.227	32%	0.323	C	S	.	.			trans	-60	146.3	172.3	-23.8	35.4	0	0	0	111.8	Q194 K238 N242 L243	Q194-P240 HydrophobicContact CG-CG 4.16Å; K238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-N242 WeakPolarHBondContact CB-OD1 3.28Å; P240-N242 PolarHBondContact O-N 3.34Å; P240-N242 VanDerWaalsContact O-N 3.12Å; P240-L243 HydrophobicContact CB-CB 4.47Å; P240-L243 WeakPolarHBondContact O-CB 3.32Å; P240-L243 PolarHBondContact O-N 2.86Å
241	S	87.1	Confident	89.5	Confident	129 Å²	129	54 Å²	54	90%	0.902	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.4	-175.8	57.1	0	0	0	0	114.8	L243	S241-L243 VanDerWaalsContact C-N 3.35Å
242	N	88.9	Confident	90.1	Very high	112 Å²	112	54.1 Å²	54.1	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.9	177.3	64.3	-57.8	0	0	0	113.5	P240	P240-N242 WeakPolarHBondContact CB-OD1 3.28Å; P240-N242 PolarHBondContact O-N 3.34Å; P240-N242 VanDerWaalsContact O-N 3.12Å
243	L	93.1	Very high	90.6	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-102.9	122.9	-176.3	-172.8	64.8	0	0	0	109.9	I190 V193 I199 I202 P240 S241	I190-L243 HydrophobicContact CG1-CD2 4.32Å; V193-L243 HydrophobicContact CG1-CD1 3.9Å; V193-L243 HydrophobicContact CG1-CD2 3.96Å; I199-L243 HydrophobicContact CG2-CD1 4.06Å; I202-L243 HydrophobicContact CD1-CD1 4.37Å; I202-L243 HydrophobicContact CD1-CD2 3.66Å; I202-L243 HydrophobicContact CD1-CG 4.31Å; I202-L243 HydrophobicContact CG1-CD1 4.16Å; I202-L243 HydrophobicContact CG1-CD2 4.32Å; I202-L243 HydrophobicContact CG1-CG 4.46Å; P240-L243 HydrophobicContact CB-CB 4.47Å; P240-L243 WeakPolarHBondContact O-CB 3.32Å; P240-L243 PolarHBondContact O-N 2.86Å; S241-L243 VanDerWaalsContact C-N 3.35Å
244	H	93.5	Very high	91.1	Very high	94 Å²	94	59 Å²	59	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.9	175.3	-57.7	-83.2	0	0	0	110.6	Q200 R201 I202 H246	Q200-H244 PolarHBondContact O-N 3.28Å; R201-H244 CarbonylContact C-O 3.49Å; R201-H244 VanDerWaalsContact CA-O 3.26Å; R201-H244 WeakPolarHBondContact CA-O 3.28Å; R201-H244 HydrophobicContact CG-CB 4.19Å; I202-H244 PolarHBondContact N-O 3.04Å; H244-H246 WeakPolarHBondContact CB-NE2 3.37Å
245	L	94.2	Very high	91.5	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.183	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	175.3	-173.6	65	0	0	0	109.7	L186 I202 Y204 L236	L186-L245 HydrophobicContact CD1-CD1 3.59Å; L186-L245 HydrophobicContact CD2-CD1 4.12Å; L186-L245 HydrophobicContact CD2-CD2 4.16Å; L186-L245 HydrophobicContact CG-CD1 4.46Å; I202-L245 HydrophobicContact CB-CD1 3.83Å; I202-L245 HydrophobicContact CG2-CD1 3.88Å; Y204-L245 HydrophobicContact CD1-CD1 3.54Å; Y204-L245 HydrophobicContact CD1-CD2 4.43Å; Y204-L245 HydrophobicContact CD1-CG 3.89Å; Y204-L245 HydrophobicContact CE1-CD1 3.97Å; Y204-L245 HydrophobicContact CE1-CD2 4.11Å; Y204-L245 HydrophobicContact CE1-CG 3.76Å; L236-L245 HydrophobicContact CD2-CD2 3.76Å; L236-L245 HydrophobicContact CG-CD2 4.39Å
246	H	93.8	Very high	91.8	Very high	25 Å²	25	57 Å²	57	12%	0.116	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.9	179.6	-60.2	-96.6	0	0	0	109.6	R201 I202 I203 Y204 H244 V251	R201-H246 PolarHBondContact NH1-NE2 3.49Å; R201-H246 VanDerWaalsContact NH1-NE2 3.13Å; I202-H246 PolarHBondContact O-N 3.5Å; I203-H246 CarbonylContact C-O 2.74Å; I203-H246 VanDerWaalsContact CA-O 3.27Å; I203-H246 WeakPolarHBondContact CA-O 3.44Å; I203-H246 HydrophobicContact CG1-CB 4.16Å; Y204-H246 WeakPolarHBondContact CD1-O 3.42Å; Y204-H246 WeakPolarHBondContact CE1-O 3.45Å; Y204-H246 PolarHBondContact N-O 3.2Å; H244-H246 WeakPolarHBondContact CB-NE2 3.37Å; H246-V251 HydrophobicContact CB-CG2 3.85Å
247	D	91.8	Very high	92.2	Very high	31 Å²	31	53.8 Å²	53.8	17%	0.166	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	140.9	161.9	-170.1	-45.8	0	0	0	108.7	Y204 T206 I249 E250 V251	Y204-D247 HydrophobicContact CE1-CB 4.24Å; T206-D247 WeakPolarHBondContact CB-OD2 3.4Å; T206-D247 PolarHBondContact OG1-OD2 2.74Å; D247-I249 PolarHBondContact O-N 2.86Å; D247-I249 VanDerWaalsContact O-N 3.15Å; D247-I249 PolarHBondContact OD1-N 2.77Å; D247-E250 HydrophobicContact CB-CB 4.26Å; D247-E250 VanDerWaalsContact O-CB 3.28Å; D247-E250 WeakPolarHBondContact O-CB 3.47Å; D247-E250 PolarHBondContact O-N 2.92Å; D247-V251 PolarHBondContact O-N 2.94Å
248	I	93.6	Very high	92.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-50.8	-37.7	173	-170.5	176.2	0	0	0	112.3	L113 E140 I203 Y204 F205 E250 V251 E252	L113-I248 HydrophobicContact CD1-CG1 4Å; L113-I248 HydrophobicContact CD2-CD1 4.05Å; L113-I248 HydrophobicContact CD2-CG1 4.3Å; E140-I248 HydrophobicContact CB-CD1 4.11Å; E140-I248 HydrophobicContact CG-CD1 4.26Å; I203-I248 HydrophobicContact CG2-CB 4.18Å; Y204-I248 PolarHBondContact O-N 2.87Å; F205-I248 HydrophobicContact CD1-CB 4.09Å; F205-I248 HydrophobicContact CD1-CD1 3.73Å; F205-I248 HydrophobicContact CD1-CG1 4.42Å; F205-I248 HydrophobicContact CD1-CG2 4.24Å; F205-I248 HydrophobicContact CE1-CD1 3.79Å; I248-E250 VanDerWaalsContact C-N 3.32Å; I248-E250 PolarHBondContact O-N 2.71Å; I248-V251 PolarHBondContact O-N 3.22Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 3.39Å
249	I	90.9	Very high	92.4	Very high	32 Å²	32	45 Å²	45	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-33.9	179.1	-59.5	-57.9	0	0	0	111.6	D247 V251 E252 R253	D247-I249 PolarHBondContact O-N 2.86Å; D247-I249 VanDerWaalsContact O-N 3.15Å; D247-I249 PolarHBondContact OD1-N 2.77Å; I249-V251 VanDerWaalsContact C-N 3.35Å; I249-E252 PolarHBondContact O-N 2.84Å; I249-R253 HydrophobicContact CG2-CG 4.5Å; I249-R253 WeakPolarHBondContact O-CB 3.32Å; I249-R253 VanDerWaalsContact O-CG 3.3Å; I249-R253 WeakPolarHBondContact O-CG 3.36Å; I249-R253 PolarHBondContact O-N 3.15Å
250	E	92.5	Very high	92.5	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-44.6	173.9	-175.3	-175.5	179.5	0	0	110.7	D247 I248 R253 L254	D247-E250 HydrophobicContact CB-CB 4.26Å; D247-E250 VanDerWaalsContact O-CB 3.28Å; D247-E250 WeakPolarHBondContact O-CB 3.47Å; D247-E250 PolarHBondContact O-N 2.92Å; I248-E250 VanDerWaalsContact C-N 3.32Å; I248-E250 PolarHBondContact O-N 2.71Å; E250-R253 PolarHBondContact O-N 2.94Å; E250-L254 PolarHBondContact O-N 3.42Å
251	V	95.3	Very high	92.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-41.2	177.5	-173.5	0	0	0	0	111.1	L113 G116 L117 I120 I203 H246 D247 I248 I249 L254 G255	L113-V251 HydrophobicContact CD1-CB 4.03Å; L113-V251 HydrophobicContact CD1-CG1 3.75Å; G116-V251 WeakPolarHBondContact CA-O 3.25Å; L117-V251 HydrophobicContact CD2-CG1 4.37Å; L117-V251 HydrophobicContact CG-CG1 4.24Å; I120-V251 HydrophobicContact CD1-CG1 4.04Å; I120-V251 HydrophobicContact CD1-CG2 4.16Å; I203-V251 HydrophobicContact CD1-CG2 4.23Å; I203-V251 HydrophobicContact CG1-CG2 4.35Å; I203-V251 HydrophobicContact CG2-CG2 4.04Å; H246-V251 HydrophobicContact CB-CG2 3.85Å; D247-V251 PolarHBondContact O-N 2.94Å; I248-V251 PolarHBondContact O-N 3.22Å; I249-V251 VanDerWaalsContact C-N 3.35Å; V251-L254 WeakPolarHBondContact O-CB 3.4Å; V251-L254 PolarHBondContact O-N 3.46Å; V251-G255 PolarHBondContact O-N 3.24Å
252	E	94.3	Very high	92.4	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-44.8	173.8	-72.4	179	-162.5	0	0	111.6	R109 H112 L113 I248 I249 L254 G255 A256	R109-E252 IonicContact CZ-OE1 3.02Å; R109-E252 IonicContact NE-OE1 3.93Å; R109-E252 PolarHBondContact NE-OE1 3.15Å; R109-E252 IonicContact NE-OE2 2.75Å; R109-E252 PolarHBondContact NE-OE2 3.35Å; R109-E252 IonicContact NH2-OE1 2.67Å; R109-E252 PolarHBondContact NH2-OE1 3.12Å; H112-E252 HydrophobicContact CB-CB 4.04Å; H112-E252 HydrophobicContact CB-CG 4.35Å; H112-E252 WeakPolarHBondContact CB-O 3.36Å; L113-E252 HydrophobicContact CB-CG 4.09Å; I248-E252 WeakPolarHBondContact O-CG 3.28Å; I248-E252 PolarHBondContact O-N 3.39Å; I249-E252 PolarHBondContact O-N 2.84Å; E252-L254 PolarHBondContact O-N 3.09Å; E252-G255 PolarHBondContact O-N 2.88Å; E252-A256 PolarHBondContact O-N 2.81Å
253	R	93.7	Very high	92.1	Very high	109 Å²	109	48.2 Å²	48.2	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-41.6	176.5	-75.6	173.6	179.5	171.2	-0.4	112	Y215 I249 E250 G255 A256 A257	Y215-R253 PolarHBondContact O-NH2 3.45Å; I249-R253 HydrophobicContact CG2-CG 4.5Å; I249-R253 WeakPolarHBondContact O-CB 3.32Å; I249-R253 VanDerWaalsContact O-CG 3.3Å; I249-R253 WeakPolarHBondContact O-CG 3.36Å; I249-R253 PolarHBondContact O-N 3.15Å; E250-R253 PolarHBondContact O-N 2.94Å; R253-G255 VanDerWaalsContact C-N 3.33Å; R253-G255 PolarHBondContact O-N 3.28Å; R253-A256 PolarHBondContact O-N 3.37Å; R253-A257 PolarHBondContact O-N 2.86Å; R253-A257 VanDerWaalsContact O-N 3.09Å
254	L	95.6	Very high	91.7	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-58.7	-46.9	174.6	178.4	66	0	0	0	110.8	I120 E250 V251 E252 A257 V258	I120-L254 HydrophobicContact CD1-CD2 3.83Å; I120-L254 HydrophobicContact CG1-CD2 3.6Å; E250-L254 PolarHBondContact O-N 3.42Å; V251-L254 WeakPolarHBondContact O-CB 3.4Å; V251-L254 PolarHBondContact O-N 3.46Å; E252-L254 PolarHBondContact O-N 3.09Å; L254-A257 WeakPolarHBondContact O-CB 3.31Å; L254-A257 PolarHBondContact O-N 3.28Å; L254-V258 WeakPolarHBondContact O-CG2 3.41Å; L254-V258 PolarHBondContact O-N 3.12Å
255	G	95.5	Very high	90.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-37.4	178.6	0	0	0	0	0	114	H112 G116 V251 E252 R253 A257 V258 I259	H112-G255 VanDerWaalsContact O-CA 3.32Å; H112-G255 WeakPolarHBondContact O-CA 3.48Å; G116-G255 VanDerWaalsContact N-CA 3.27Å; V251-G255 PolarHBondContact O-N 3.24Å; E252-G255 PolarHBondContact O-N 2.88Å; R253-G255 VanDerWaalsContact C-N 3.33Å; R253-G255 PolarHBondContact O-N 3.28Å; G255-A257 VanDerWaalsContact C-N 3.27Å; G255-A257 PolarHBondContact O-N 2.9Å; G255-V258 WeakPolarHBondContact O-CB 3.43Å; G255-V258 PolarHBondContact O-N 3.31Å; G255-V258 VanDerWaalsContact O-N 3.15Å; G255-I259 VanDerWaalsContact O-CG1 3.3Å; G255-I259 WeakPolarHBondContact O-CG1 3.45Å; G255-I259 PolarHBondContact O-N 3.05Å
256	A	93.7	Very high	89.7	Confident	23 Å²	23	58.7 Å²	58.7	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-43	171.7	0	0	0	0	0	111.2	E252 R253 V258 I259 M260	E252-A256 PolarHBondContact O-N 2.81Å; R253-A256 PolarHBondContact O-N 3.37Å; A256-V258 PolarHBondContact O-N 3.49Å; A256-I259 PolarHBondContact O-N 2.84Å; A256-M260 VanDerWaalsContact O-CG 3.29Å; A256-M260 WeakPolarHBondContact O-CG 3.29Å; A256-M260 PolarHBondContact O-N 2.82Å
257	A	94	Very high	88.7	Confident	44 Å²	44	62.1 Å²	62.1	36%	0.364	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-36.3	176.1	0	0	0	0	0	112.9	R253 L254 G255 K261	R253-A257 PolarHBondContact O-N 2.86Å; R253-A257 VanDerWaalsContact O-N 3.09Å; L254-A257 WeakPolarHBondContact O-CB 3.31Å; L254-A257 PolarHBondContact O-N 3.28Å; G255-A257 VanDerWaalsContact C-N 3.27Å; G255-A257 PolarHBondContact O-N 2.9Å; A257-K261 WeakPolarHBondContact O-CG 3.27Å; A257-K261 PolarHBondContact O-N 3.29Å; A257-K261 VanDerWaalsContact O-N 3.14Å
258	V	91.7	Very high	87.4	Confident	30 Å²	30	65.6 Å²	65.6	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-48.2	173.8	172.2	0	0	0	0	110.7	A115 L254 G255 A256 M260 K261 D262	A115-V258 HydrophobicContact CB-CB 4.49Å; A115-V258 HydrophobicContact CB-CG1 4.49Å; L254-V258 WeakPolarHBondContact O-CG2 3.41Å; L254-V258 PolarHBondContact O-N 3.12Å; G255-V258 WeakPolarHBondContact O-CB 3.43Å; G255-V258 PolarHBondContact O-N 3.31Å; G255-V258 VanDerWaalsContact O-N 3.15Å; A256-V258 PolarHBondContact O-N 3.49Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-M260 PolarHBondContact O-N 3.37Å; V258-K261 PolarHBondContact O-N 3.01Å; V258-D262 PolarHBondContact O-N 2.91Å
259	I	91.5	Very high	85.6	Confident	13 Å²	13	69.2 Å²	69.2	7%	0.067	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-42.7	179.8	-68.1	162.3	0	0	0	111.2	A115 G255 A256 D262 R263 W289	A115-I259 HydrophobicContact CB-CD1 3.93Å; A115-I259 HydrophobicContact CB-CG1 3.91Å; G255-I259 VanDerWaalsContact O-CG1 3.3Å; G255-I259 WeakPolarHBondContact O-CG1 3.45Å; G255-I259 PolarHBondContact O-N 3.05Å; A256-I259 PolarHBondContact O-N 2.84Å; I259-D262 PolarHBondContact O-N 3.21Å; I259-R263 WeakPolarHBondContact O-CG 3.3Å; I259-R263 PolarHBondContact O-N 3.41Å; I259-R263 VanDerWaalsContact O-N 3.13Å; I259-W289 HydrophobicContact CD1-CB 3.73Å; I259-W289 HydrophobicContact CD1-CG 4.08Å; I259-W289 HydrophobicContact CG1-CB 3.89Å; I259-W289 HydrophobicContact CG1-CG 3.79Å
260	M	90.1	Very high	83.4	Confident	111 Å²	111	72.8 Å²	72.8	55%	0.547	38%	0.377	S	S	.	.	H	α-helix	trans	-62.1	-45.6	177.3	-70.2	-66	-112.6	0	0	111.8	A256 V258 D262 R263 E264	A256-M260 VanDerWaalsContact O-CG 3.29Å; A256-M260 WeakPolarHBondContact O-CG 3.29Å; A256-M260 PolarHBondContact O-N 2.82Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-M260 PolarHBondContact O-N 3.37Å; M260-D262 VanDerWaalsContact C-N 3.34Å; M260-D262 PolarHBondContact O-N 3.49Å; M260-R263 PolarHBondContact O-N 3.07Å; M260-E264 WeakPolarHBondContact O-CG 3.03Å; M260-E264 PolarHBondContact O-N 3.27Å
261	K	88.6	Confident	80.8	Confident	129 Å²	129	73 Å²	73	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-61.7	-38.8	177	-73.6	175.7	-178.1	178.1	0	112.9	A257 V258 R263 E264 K265	A257-K261 WeakPolarHBondContact O-CG 3.27Å; A257-K261 PolarHBondContact O-N 3.29Å; A257-K261 VanDerWaalsContact O-N 3.14Å; V258-K261 PolarHBondContact O-N 3.01Å; K261-R263 VanDerWaalsContact C-N 3.34Å; K261-E264 PolarHBondContact O-N 2.88Å; K261-K265 WeakPolarHBondContact O-CG 3Å; K261-K265 PolarHBondContact O-N 2.82Å; K261-K265 VanDerWaalsContact O-N 3.16Å
262	D	84.6	Confident	77.9	Confident	60 Å²	60	77.4 Å²	77.4	32%	0.321	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-36.2	178.3	-75.5	-13.4	0	0	0	111.9	V258 I259 M260 Q266	V258-D262 PolarHBondContact O-N 2.91Å; I259-D262 PolarHBondContact O-N 3.21Å; M260-D262 VanDerWaalsContact C-N 3.34Å; M260-D262 PolarHBondContact O-N 3.49Å; D262-Q266 WeakPolarHBondContact O-CG 3.38Å; D262-Q266 PolarHBondContact O-N 3.16Å
263	R	82.5	Confident	75.1	Confident	78 Å²	78	83.3 Å²	83.3	29%	0.294	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-43.6	173.7	-70.7	176.6	-178.8	-175.8	4.2	112.2	I259 M260 K261 K265 Q266 T267 E286	I259-R263 WeakPolarHBondContact O-CG 3.3Å; I259-R263 PolarHBondContact O-N 3.41Å; I259-R263 VanDerWaalsContact O-N 3.13Å; M260-R263 PolarHBondContact O-N 3.07Å; K261-R263 VanDerWaalsContact C-N 3.34Å; R263-K265 VanDerWaalsContact C-N 3.33Å; R263-K265 PolarHBondContact O-N 3.47Å; R263-Q266 PolarHBondContact O-N 2.7Å; R263-Q266 VanDerWaalsContact O-N 3.14Å; R263-T267 PolarHBondContact O-N 2.79Å; R263-T267 PolarHBondContact O-OG1 2.83Å; R263-E286 IonicContact NH1-OE1 3.36Å
264	E	83.5	Confident	72.2	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.57	47%	0.471	S	S	*	.	H	α-helix	trans	-58.5	-44.3	176.8	-72.4	173	179.7	0	0	111.5	M260 K261 Q266 T267 T268	M260-E264 WeakPolarHBondContact O-CG 3.03Å; M260-E264 PolarHBondContact O-N 3.27Å; K261-E264 PolarHBondContact O-N 2.88Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 2.75Å; E264-T267 PolarHBondContact O-N 2.97Å; E264-T267 PolarHBondContact O-OG1 3.18Å; E264-T268 WeakPolarHBondContact O-CG2 3.44Å; E264-T268 PolarHBondContact O-N 3.08Å; E264-T268 PolarHBondContact O-OG1 2.85Å
265	K	78.7	Confident	69	Low	138 Å²	138	88.1 Å²	88.1	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-59.6	-40.5	174.6	-71.3	174.7	-174.3	168.8	0	112.7	K261 R263 T268 S269	K261-K265 WeakPolarHBondContact O-CG 3Å; K261-K265 PolarHBondContact O-N 2.82Å; K261-K265 VanDerWaalsContact O-N 3.16Å; R263-K265 VanDerWaalsContact C-N 3.33Å; R263-K265 PolarHBondContact O-N 3.47Å; K265-T268 WeakPolarHBondContact CA-OG1 3.26Å; K265-T268 PolarHBondContact O-OG1 2.95Å; K265-S269 WeakPolarHBondContact O-CB 3.29Å; K265-S269 PolarHBondContact O-N 3.21Å; K265-S269 VanDerWaalsContact O-N 3.16Å; K265-S269 PolarHBondContact O-OG 3.11Å
266	Q	68.9	Low	65.7	Low	102 Å²	102	91.2 Å²	91.2	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-47.8	176.8	-71.6	177.5	4.3	0	0	111.5	D262 R263 E264 T268 S269 T270	D262-Q266 WeakPolarHBondContact O-CG 3.38Å; D262-Q266 PolarHBondContact O-N 3.16Å; R263-Q266 PolarHBondContact O-N 2.7Å; R263-Q266 VanDerWaalsContact O-N 3.14Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 2.75Å; Q266-T268 VanDerWaalsContact C-N 3.35Å; Q266-T268 PolarHBondContact O-N 3.27Å; Q266-S269 PolarHBondContact O-N 3.47Å; Q266-S269 PolarHBondContact O-OG 3.27Å; Q266-T270 PolarHBondContact O-N 2.86Å; Q266-T270 PolarHBondContact O-OG1 2.97Å
267	T	72.1	Confident	62.5	Low	97 Å²	97	98.6 Å²	98.6	60%	0.595	56%	0.562	S	S	*	*	H	α-helix	trans	-63.5	-36.2	179.9	56.7	0	0	0	0	113.8	R263 E264 T270	R263-T267 PolarHBondContact O-N 2.79Å; R263-T267 PolarHBondContact O-OG1 2.83Å; E264-T267 PolarHBondContact O-N 2.97Å; E264-T267 PolarHBondContact O-OG1 3.18Å; T267-T270 PolarHBondContact O-OG1 2.94Å
268	T	64	Low	59.4	Low	104 Å²	104	100.8 Å²	100.8	64%	0.638	58%	0.575	S	S	*	*	H	α-helix	trans	-73.1	-28.5	176.8	53.6	0	0	0	0	113.2	E264 K265 Q266	E264-T268 WeakPolarHBondContact O-CG2 3.44Å; E264-T268 PolarHBondContact O-N 3.08Å; E264-T268 PolarHBondContact O-OG1 2.85Å; K265-T268 WeakPolarHBondContact CA-OG1 3.26Å; K265-T268 PolarHBondContact O-OG1 2.95Å; Q266-T268 VanDerWaalsContact C-N 3.35Å; Q266-T268 PolarHBondContact O-N 3.27Å
269	S	56.1	Low	56.4	Low	79 Å²	79	107.6 Å²	107.6	55%	0.552	61%	0.61	S	S	*	*	H	α-helix	trans	-78.4	-18.8	178.7	70.3	0	0	0	0	114.6	K265 Q266 S271	K265-S269 WeakPolarHBondContact O-CB 3.29Å; K265-S269 PolarHBondContact O-N 3.21Å; K265-S269 VanDerWaalsContact O-N 3.16Å; K265-S269 PolarHBondContact O-OG 3.11Å; Q266-S269 PolarHBondContact O-N 3.47Å; Q266-S269 PolarHBondContact O-OG 3.27Å; S269-S271 VanDerWaalsContact C-N 3.3Å; S269-S271 PolarHBondContact O-N 3.24Å
270	T	44.5	Very low	53.7	Low	106 Å²	106	113.6 Å²	113.6	65%	0.65	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	19.6	-174.2	39.5	0	0	0	0	116	Q266 T267 T272	Q266-T270 PolarHBondContact O-N 2.86Å; Q266-T270 PolarHBondContact O-OG1 2.97Å; T267-T270 PolarHBondContact O-OG1 2.94Å; T270-T272 PolarHBondContact O-N 3.29Å
271	S	38.8	Very low	50.9	Low	109 Å²	109	113.4 Å²	113.4	76%	0.762	65%	0.647	S	S	*	*	S	Bend	trans	-80.7	20.1	172.9	64.7	0	0	0	0	114.8	S269	S269-S271 VanDerWaalsContact C-N 3.3Å; S269-S271 PolarHBondContact O-N 3.24Å
272	T	33.2	Very low	48	Very low	93 Å²	93	113.1 Å²	113.1	57%	0.571	66%	0.662	S	S	*	*	S	Bend	trans	-132.6	126.2	172.2	-13.4	0	0	0	0	109	T270 I274	T270-T272 PolarHBondContact O-N 3.29Å; T272-I274 PolarHBondContact O-N 2.81Å; T272-I274 VanDerWaalsContact O-N 3.12Å
273	P	35.5	Very low	45.4	Very low	132 Å²	132	116.2 Å²	116.2	86%	0.857	68%	0.678	S	S	*	*			trans	-74.3	108.3	-175.3	28.4	-31.4	0	0	0	109.7
274	I	32.9	Very low	43.1	Very low	142 Å²	142	116.6 Å²	116.6	73%	0.728	71%	0.706	S	S	*	*			trans	-112.7	117.7	180	-64.2	176	0	0	0	110.2	T272	T272-I274 PolarHBondContact O-N 2.81Å; T272-I274 VanDerWaalsContact O-N 3.12Å
275	T	29	Very low	41	Very low	139 Å²	139	116.2 Å²	116.2	85%	0.853	70%	0.7	S	S	*	*			trans	-64	131.1	157.2	49.4	0	0	0	0	110.8
276	G	26.2	Very low	39.3	Very low	65 Å²	65	116.6 Å²	116.6	67%	0.67	70%	0.704	S	S	*	*	S	Bend	trans	122.6	112.9	160.9	0	0	0	0	0	115.4	S278	G276-S278 PolarHBondContact O-N 3.33Å
277	D	27.4	Very low	38.5	Very low	177 Å²	177	112.1 Å²	112.1	95%	0.947	69%	0.686	S	S	*	*			trans	32.4	74.7	152.6	-69.2	-10.8	0	0	0	118.3
278	S	28.1	Very low	38.9	Very low	90 Å²	90	111.9 Å²	111.9	63%	0.629	68%	0.68	S	S	*	*			trans	-115.8	113.5	155	63.4	0	0	0	0	109.6	G276 H280	G276-S278 PolarHBondContact O-N 3.33Å; S278-H280 PolarHBondContact O-N 3.39Å
279	N	29.1	Very low	40.2	Very low	174 Å²	174	108.2 Å²	108.2	93%	0.93	66%	0.655	S	S	*	*			trans	-65.3	64.3	173	-94.4	-24.7	0	0	0	112.3
280	H	34.5	Very low	41.9	Very low	138 Å²	138	107 Å²	107	64%	0.639	64%	0.641	S	S	*	*			trans	-114.9	95.9	168.5	-71.8	-55.6	0	0	0	108.6	S278 S282	S278-H280 PolarHBondContact O-N 3.39Å; H280-S282 PolarHBondContact O-N 3.1Å
281	S	30	Very low	44.2	Very low	107 Å²	107	102 Å²	102	75%	0.748	61%	0.61	S	S	*	*			trans	-61.2	117.6	175.8	54.7	0	0	0	0	110.2	N283	S281-N283 PolarHBondContact O-N 3.29Å; S281-N283 VanDerWaalsContact O-N 3.12Å
282	S	28	Very low	46.7	Very low	124 Å²	124	99.6 Å²	99.6	87%	0.867	59%	0.592	S	S	*	*			trans	-75.7	22.8	177.7	51.1	0	0	0	0	114.8	H280	H280-S282 PolarHBondContact O-N 3.1Å
283	N	30.2	Very low	49.4	Very low	125 Å²	125	98.9 Å²	98.9	67%	0.668	60%	0.596	S	S	*	*	S	Bend	trans	-83.3	125.6	171.1	-79.1	-4.6	0	0	0	108.6	S281 Y285	S281-N283 PolarHBondContact O-N 3.29Å; S281-N283 VanDerWaalsContact O-N 3.12Å; N283-Y285 HydrophobicContact CB-CD2 4.46Å; N283-Y285 PolarHBondContact O-N 2.72Å
284	G	33.5	Very low	52	Low	85 Å²	85	96 Å²	96	88%	0.876	58%	0.579	S	S	*	*	S	Bend	trans	-61.9	47	-172	0	0	0	0	0	117.7
285	Y	39.8	Very low	54.8	Low	114 Å²	114	89.5 Å²	89.5	45%	0.447	55%	0.545	S	S	.	.			trans	-103.1	91.6	170.8	-78.3	-71.9	0	0	0	108.2	P66 W104 N283 G287	P66-Y285 HydrophobicContact CB-CE1 3.96Å; P66-Y285 HydrophobicContact CG-CE1 4.03Å; P66-Y285 WeakPolarHBondContact CG-OH 3.41Å; W104-Y285 AromaticContact CD2-CD1 3.99Å; W104-Y285 HydrophobicContact CD2-CD1 3.99Å; W104-Y285 AromaticContact CE3-CD1 3.77Å; W104-Y285 HydrophobicContact CE3-CD1 3.77Å; W104-Y285 HydrophobicContact CE3-CE1 4.42Å; W104-Y285 AromaticContact CH2-CD1 3.75Å; W104-Y285 HydrophobicContact CH2-CD1 3.75Å; W104-Y285 HydrophobicContact CH2-CG 4.01Å; W104-Y285 AromaticContact CZ2-CD1 3.87Å; W104-Y285 HydrophobicContact CZ2-CD1 3.87Å; W104-Y285 HydrophobicContact CZ2-CG 4.43Å; W104-Y285 AromaticContact CZ3-CD1 3.67Å; W104-Y285 HydrophobicContact CZ3-CD1 3.67Å; W104-Y285 HydrophobicContact CZ3-CG 4.06Å; N283-Y285 HydrophobicContact CB-CD2 4.46Å; N283-Y285 PolarHBondContact O-N 2.72Å; Y285-G287 PolarHBondContact O-N 3.13Å; Y285-G287 VanDerWaalsContact O-N 3.1Å
286	E	42.8	Very low	57.9	Low	147 Å²	147	88.3 Å²	88.3	69%	0.687	53%	0.525	S	S	*	.			trans	-63.7	100.4	170.4	-69.3	-170	137.6	0	0	110.8	W104 R263	W104-E286 WeakPolarHBondContact CZ2-O 3.48Å; R263-E286 IonicContact NH1-OE1 3.36Å
287	G	52.9	Low	61.1	Low	8 Å²	8	85.6 Å²	85.6	8%	0.082	50%	0.496	C	S	.	.			trans	143.5	28.5	163	0	0	0	0	0	120.7	S111 Y285 W289	S111-G287 WeakPolarHBondContact CB-O 3.12Å; S111-G287 PolarHBondContact OG-O 3.3Å; Y285-G287 PolarHBondContact O-N 3.13Å; Y285-G287 VanDerWaalsContact O-N 3.1Å; G287-W289 PolarHBondContact O-N 3.34Å
288	L	80.2	Confident	64.3	Low	92 Å²	92	79.4 Å²	79.4	48%	0.482	47%	0.467	S	S	.	.			trans	-95.2	76.7	167.6	-60.6	-178.5	0	0	0	110.2	L59 W104 E107 M290	L59-L288 HydrophobicContact CD2-CD2 3.81Å; W104-L288 HydrophobicContact CZ3-CD2 4.38Å; E107-L288 HydrophobicContact CG-CD2 3.38Å; E107-L288 WeakPolarHBondContact OE1-CD2 3.1Å; L288-M290 PolarHBondContact O-N 2.98Å
289	W	91	Very high	67.5	Low	27 Å²	27	76.9 Å²	76.9	10%	0.102	45%	0.448	C	S	.	.			trans	-72.9	129.5	173.6	-177.1	87.4	0	0	0	109.5	S111 A114 A115 Y118 R150 L151 I259 G287 P291	S111-W289 PolarHBondContact OG-N 3.31Å; A114-W289 HydrophobicContact CB-CE3 3.96Å; A114-W289 HydrophobicContact CB-CZ3 3.73Å; A115-W289 HydrophobicContact CB-CD2 3.74Å; A115-W289 HydrophobicContact CB-CE3 4.02Å; A115-W289 HydrophobicContact CB-CG 4.14Å; A115-W289 HydrophobicContact CB-CH2 4.41Å; A115-W289 HydrophobicContact CB-CZ2 4.17Å; A115-W289 HydrophobicContact CB-CZ3 4.35Å; Y118-W289 HydrophobicContact CD1-CH2 4.17Å; Y118-W289 HydrophobicContact CD1-CZ2 4.09Å; Y118-W289 AromaticContact CG-CH2 3.95Å; Y118-W289 HydrophobicContact CG-CH2 3.95Å; Y118-W289 HydrophobicContact CG-CZ2 4.34Å; R150-W289 WeakPolarHBondContact CD-O 3.4Å; R150-W289 PolarHBondContact NH1-O 3.08Å; L151-W289 HydrophobicContact CD2-CH2 3.85Å; L151-W289 HydrophobicContact CD2-CZ3 3.81Å; I259-W289 HydrophobicContact CD1-CB 3.73Å; I259-W289 HydrophobicContact CD1-CG 4.08Å; I259-W289 HydrophobicContact CG1-CB 3.89Å; I259-W289 HydrophobicContact CG1-CG 3.79Å; G287-W289 PolarHBondContact O-N 3.34Å; W289-P291 HydrophobicContact CH2-CB 3.67Å; W289-P291 HydrophobicContact CH2-CG 4.5Å; W289-P291 HydrophobicContact CZ2-CB 4.34Å; W289-P291 HydrophobicContact CZ3-CB 4.04Å; W289-P291 HydrophobicContact CZ3-CG 4.4Å
290	M	92.9	Very high	70.8	Confident	53 Å²	53	74 Å²	74	26%	0.261	43%	0.432	S	S	.	.			trans	-126	139.3	174.6	-71.7	-63.1	-67.3	0	0	108.7	V55 L59 R150 L288 R296	V55-M290 HydrophobicContact CG1-CE 4.2Å; V55-M290 HydrophobicContact CG1-SD 4.47Å; L59-M290 HydrophobicContact CD1-CE 4.5Å; L59-M290 HydrophobicContact CD1-SD 3.89Å; R150-M290 HydrophobicContact CG-CE 4.36Å; R150-M290 HydrophobicContact CG-SD 4Å; L288-M290 PolarHBondContact O-N 2.98Å; M290-R296 HydrophobicContact CE-CG 4.24Å
291	P	92.1	Very high	73.7	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.006	41%	0.414	C	S	.	.			trans	-68.1	169.2	174.8	32.7	-38	0	0	0	110.5	R150 L151 W289 E295 R296	R150-P291 HydrophobicContact CG-CG 4.37Å; R150-P291 WeakPolarHBondContact O-CG 3.26Å; L151-P291 HydrophobicContact CD2-CB 3.95Å; L151-P291 HydrophobicContact CD2-CG 4.08Å; W289-P291 HydrophobicContact CH2-CB 3.67Å; W289-P291 HydrophobicContact CH2-CG 4.5Å; W289-P291 HydrophobicContact CZ2-CB 4.34Å; W289-P291 HydrophobicContact CZ3-CB 4.04Å; W289-P291 HydrophobicContact CZ3-CG 4.4Å; P291-E295 HydrophobicContact CB-CB 3.91Å; P291-E295 HydrophobicContact CG-CB 4.27Å; P291-R296 HydrophobicContact CG-CG 4.07Å; P291-R296 PolarHBondContact O-NE 3.07Å; P291-R296 PolarHBondContact O-NH2 3.26Å
292	P	91.4	Very high	76.9	Confident	59 Å²	59	65.7 Å²	65.7	38%	0.383	38%	0.384	S	S	.	.			trans	-49.9	149.1	172.2	-26.7	35.2	0	0	0	111.8	S294 E295	P292-S294 PolarHBondContact O-N 3.1Å; P292-E295 HydrophobicContact CB-CG 4.2Å; P292-E295 HydrophobicContact CG-CG 4.36Å; P292-E295 WeakPolarHBondContact O-CB 3.5Å; P292-E295 PolarHBondContact O-N 3.5Å
293	A	90.3	Very high	80.3	Confident	78 Å²	78	59.8 Å²	59.8	65%	0.645	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.6	-175.1	0	0	0	0	0	113.7	E295 R296	A293-E295 PolarHBondContact O-N 3.27Å; A293-R296 PolarHBondContact O-N 3.04Å
294	S	90.5	Very high	83.5	Confident	72 Å²	72	53.9 Å²	53.9	50%	0.503	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68.9	-16.1	176.4	55.4	0	0	0	0	114.7	P292	P292-S294 PolarHBondContact O-N 3.1Å
295	E	91.8	Very high	86.6	Confident	5 Å²	5	49.9 Å²	49.9	2%	0.023	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-105.4	-0.2	-176.7	-54.7	-68	143.4	0	0	111.6	Y118 S123 I124 L151 N152 P291 P292 A293	Y118-E295 HydrophobicContact CE2-CG 3.96Å; S123-E295 WeakPolarHBondContact CB-OE1 3.34Å; S123-E295 PolarHBondContact OG-OE1 2.93Å; I124-E295 VanDerWaalsContact CB-OE2 3.27Å; I124-E295 WeakPolarHBondContact CB-OE2 3.11Å; I124-E295 WeakPolarHBondContact CG2-OE2 3.47Å; I124-E295 PolarHBondContact N-OE2 3.29Å; L151-E295 CarbonylContact C-O 3.25Å; L151-E295 VanDerWaalsContact C-O 3.25Å; N152-E295 VanDerWaalsContact CB-O 3.31Å; N152-E295 WeakPolarHBondContact CB-O 3.49Å; P291-E295 HydrophobicContact CB-CB 3.91Å; P291-E295 HydrophobicContact CG-CB 4.27Å; P292-E295 HydrophobicContact CB-CG 4.2Å; P292-E295 HydrophobicContact CG-CG 4.36Å; P292-E295 WeakPolarHBondContact O-CB 3.5Å; P292-E295 PolarHBondContact O-N 3.5Å; A293-E295 PolarHBondContact O-N 3.27Å
296	R	94.2	Very high	89.3	Confident	114 Å²	114	44.4 Å²	44.4	43%	0.43	25%	0.248	S	C	.	.	S	Bend	trans	-86.3	143.4	-178.5	-64.2	179.6	-168.4	-179.9	1.8	110.2	M290 P291 A293	M290-R296 HydrophobicContact CE-CG 4.24Å; P291-R296 HydrophobicContact CG-CG 4.07Å; P291-R296 PolarHBondContact O-NE 3.07Å; P291-R296 PolarHBondContact O-NH2 3.26Å; A293-R296 PolarHBondContact O-N 3.04Å
297	A	93	Very high	91.6	Very high	8 Å²	8	37.5 Å²	37.5	7%	0.066	22%	0.216	C	C	.	.			trans	-66.4	152	177.4	0	0	0	0	0	112.4	N152 H322	N152-A297 HydrophobicContact CB-CB 4.13Å; A297-H322 WeakPolarHBondContact CB-NE2 3.1Å
298	S	94.7	Very high	93.1	Very high	46 Å²	46	38.4 Å²	38.4	32%	0.322	22%	0.22	S	C	.	.			trans	-111.1	164.8	164.6	77.2	0	0	0	0	110.2	L300 D301	S298-L300 PolarHBondContact O-N 2.79Å; S298-L300 VanDerWaalsContact O-N 3.15Å; S298-D301 WeakPolarHBondContact CA-OD2 3.38Å; S298-D301 WeakPolarHBondContact CB-OD2 3.31Å; S298-D301 PolarHBondContact N-OD2 3.06Å; S298-D301 WeakPolarHBondContact O-CB 3.2Å; S298-D301 PolarHBondContact O-N 3.47Å; S298-D301 VanDerWaalsContact O-N 3.11Å; S298-D301 PolarHBondContact OG-OD1 3.47Å; S298-D301 PolarHBondContact OG-OD2 2.79Å
299	P	95.6	Very high	92.5	Very high	37 Å²	37	36.4 Å²	36.4	24%	0.24	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.8	-177.5	-27.4	38.8	0	0	0	114	K52 H322 E323	K52-P299 HydrophobicContact CB-CG 3.77Å; K52-P299 HydrophobicContact CD-CG 4.37Å; K52-P299 HydrophobicContact CG-CG 4.41Å; K52-P299 WeakPolarHBondContact O-CB 3.49Å; K52-P299 WeakPolarHBondContact O-CG 3.39Å; P299-H322 PolarHBondContact O-N 3.39Å; P299-E323 HydrophobicContact CB-CB 4.02Å; P299-E323 VanDerWaalsContact O-CB 3.26Å; P299-E323 WeakPolarHBondContact O-CB 3.36Å; P299-E323 PolarHBondContact O-N 3.33Å
300	L	96.6	Very high	90.5	Very high	113 Å²	113	36 Å²	36	59%	0.592	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.6	-176.9	-60.5	179.4	0	0	0	113	S298 T321	S298-L300 PolarHBondContact O-N 2.79Å; S298-L300 VanDerWaalsContact O-N 3.15Å; L300-T321 VanDerWaalsContact O-CG2 3.31Å; L300-T321 WeakPolarHBondContact O-CG2 3.29Å
301	D	96.9	Very high	88.3	Confident	50 Å²	50	36.8 Å²	36.8	27%	0.267	23%	0.228	S	C	.	.	S	Bend	trans	-70.5	149.9	176	-66.9	-35.9	0	0	0	110.9	N152 S298 A303 T321 H322	N152-D301 PolarHBondContact ND2-OD2 2.87Å; N152-D301 VanDerWaalsContact ND2-OD2 3.16Å; N152-D301 VanDerWaalsContact OD1-CB 3.23Å; N152-D301 WeakPolarHBondContact OD1-CB 3.46Å; N152-D301 PolarHBondContact OD1-OD2 3.24Å; S298-D301 WeakPolarHBondContact CA-OD2 3.38Å; S298-D301 WeakPolarHBondContact CB-OD2 3.31Å; S298-D301 PolarHBondContact N-OD2 3.06Å; S298-D301 WeakPolarHBondContact O-CB 3.2Å; S298-D301 PolarHBondContact O-N 3.47Å; S298-D301 VanDerWaalsContact O-N 3.11Å; S298-D301 PolarHBondContact OG-OD1 3.47Å; S298-D301 PolarHBondContact OG-OD2 2.79Å; D301-A303 PolarHBondContact O-N 3.08Å; D301-T321 WeakPolarHBondContact O-CA 3.42Å; D301-T321 VanDerWaalsContact O-CB 3.25Å; D301-T321 WeakPolarHBondContact O-CB 3.47Å; D301-H322 PolarHBondContact O-CD2 2.89Å; D301-H322 PolarHBondContact O-N 3.12Å; D301-H322 VanDerWaalsContact O-N 3.12Å
302	L	97.4	Very high	86	Confident	22 Å²	22	41.4 Å²	41.4	12%	0.115	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.7	-178.6	-175.9	65.4	0	0	0	109.5	P154 I305 E319	P154-L302 HydrophobicContact CB-CB 4.35Å; P154-L302 HydrophobicContact CB-CD2 3.96Å; P154-L302 HydrophobicContact CB-CG 3.95Å; P154-L302 HydrophobicContact CG-CB 3.99Å; P154-L302 HydrophobicContact CG-CD2 3.99Å; P154-L302 HydrophobicContact CG-CG 4.08Å; P154-L302 WeakPolarHBondContact CG-O 3.33Å; L302-I305 HydrophobicContact CD2-CD1 3.86Å; L302-I305 HydrophobicContact CD2-CG1 3.66Å; L302-I305 HydrophobicContact CG-CG1 4.27Å; L302-E319 HydrophobicContact CD1-CB 3.64Å; L302-E319 HydrophobicContact CD1-CG 4.13Å; L302-E319 HydrophobicContact CD2-CG 4.5Å
303	A	97.9	Very high	84.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-47.8	178.1	0	0	0	0	0	110.7	L54 F149 P154 V155 D301 M320 L325	L54-A303 HydrophobicContact CD1-CB 4.04Å; F149-A303 HydrophobicContact CD1-CB 4.34Å; F149-A303 HydrophobicContact CE1-CB 4.18Å; F149-A303 WeakPolarHBondContact CE1-O 3.18Å; P154-A303 WeakPolarHBondContact CA-O 3.4Å; V155-A303 PolarHBondContact N-O 3.21Å; D301-A303 PolarHBondContact O-N 3.08Å; A303-M320 PolarHBondContact N-O 2.71Å; A303-L325 HydrophobicContact CB-CD1 4.27Å
304	V	98.4	Very high	83.3	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.1	-170.2	179	0	0	0	0	110.8	F149 V155 T157 M306 M320 L325 L358	F149-V304 HydrophobicContact CE1-CG2 3.84Å; F149-V304 HydrophobicContact CZ-CG2 3.84Å; V155-V304 CarbonylContact O-C 3.6Å; V155-V304 WeakPolarHBondContact O-CA 3.45Å; T157-V304 HydrophobicContact CG2-CG1 4.24Å; V304-M306 HydrophobicContact CG1-CB 4.08Å; V304-M306 HydrophobicContact CG1-CE 4.35Å; V304-M320 HydrophobicContact CB-CB 4.47Å; V304-M320 HydrophobicContact CB-CE 3.9Å; V304-M320 HydrophobicContact CG1-CE 3.57Å; V304-M320 PolarHBondContact N-O 3.13Å; V304-M320 PolarHBondContact O-N 3.29Å; V304-L325 HydrophobicContact CB-CD1 4.41Å; V304-L325 HydrophobicContact CG2-CD1 3.91Å; V304-L358 HydrophobicContact CG2-CD2 4.34Å
305	I	98	Very high	82.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.5	163.7	-57.6	164	0	0	0	106.8	P130 P154 V155 A156 T157 T174 L302 Y307 V318 Y562	P130-I305 HydrophobicContact CB-CD1 3.92Å; P130-I305 HydrophobicContact CG-CD1 3.55Å; P154-I305 HydrophobicContact CB-CD1 4.44Å; V155-I305 PolarHBondContact O-N 3.4Å; A156-I305 CarbonylContact C-O 3.32Å; A156-I305 VanDerWaalsContact CA-O 3.28Å; A156-I305 WeakPolarHBondContact CA-O 3.32Å; A156-I305 HydrophobicContact CB-CB 4.25Å; T157-I305 PolarHBondContact N-O 2.81Å; T174-I305 HydrophobicContact CG2-CD1 4.42Å; L302-I305 HydrophobicContact CD2-CD1 3.86Å; L302-I305 HydrophobicContact CD2-CG1 3.66Å; L302-I305 HydrophobicContact CG-CG1 4.27Å; I305-Y307 HydrophobicContact CG2-CD2 4.37Å; I305-Y307 HydrophobicContact CG2-CE2 3.84Å; I305-V318 WeakPolarHBondContact CA-O 3.29Å; I305-Y562 HydrophobicContact CD1-CD1 4.46Å; I305-Y562 HydrophobicContact CD1-CD2 3.51Å; I305-Y562 HydrophobicContact CD1-CE1 4.46Å; I305-Y562 HydrophobicContact CD1-CE2 3.51Å; I305-Y562 HydrophobicContact CD1-CG 4.02Å; I305-Y562 HydrophobicContact CG1-CD2 4.07Å; I305-Y562 HydrophobicContact CG1-CG 4.48Å; I305-Y562 HydrophobicContact CG2-CG 4.12Å
306	M	97	Very high	82.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.2	-175.8	-175.3	168.1	-74.7	0	0	111.1	V304 T308 V318 M320 A353 V355 L358 T500	V304-M306 HydrophobicContact CG1-CB 4.08Å; V304-M306 HydrophobicContact CG1-CE 4.35Å; M306-T308 PolarHBondContact O-N 2.88Å; M306-V318 PolarHBondContact N-O 3.48Å; M306-V318 PolarHBondContact O-N 2.82Å; M306-M320 HydrophobicContact CB-CE 3.48Å; M306-M320 VanDerWaalsContact CB-CE 3.48Å; M306-M320 HydrophobicContact CE-CE 4.08Å; M306-M320 HydrophobicContact CG-CE 4.41Å; M306-M320 HydrophobicContact SD-CE 4.12Å; M306-A353 WeakPolarHBondContact CG-O 3.45Å; M306-A353 VanDerWaalsContact SD-O 3.36Å; M306-V355 HydrophobicContact CE-CB 4.33Å; M306-V355 HydrophobicContact SD-CB 3.63Å; M306-V355 PolarHBondContact SD-N 2.79Å; M306-L358 HydrophobicContact CE-CD2 3.84Å; M306-T500 HydrophobicContact CB-CG2 3.91Å; M306-T500 HydrophobicContact CG-CG2 3.92Å; M306-T500 HydrophobicContact SD-CG2 3.82Å
307	Y	92	Very high	82.8	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.6	179.7	-80.6	-92.1	0	0	0	111.7	A156 T157 L158 E173 T174 I305 P315 K316	A156-Y307 HydrophobicContact CB-CE2 4.47Å; T157-Y307 PolarHBondContact O-N 2.83Å; L158-Y307 HydrophobicContact CD1-CD2 4.4Å; L158-Y307 HydrophobicContact CD2-CD2 4.42Å; L158-Y307 HydrophobicContact CD2-CG 4.38Å; L158-Y307 HydrophobicContact CG-CD2 4.12Å; L158-Y307 HydrophobicContact CG-CG 4.38Å; E173-Y307 WeakPolarHBondContact OE2-CE1 3.4Å; E173-Y307 VanDerWaalsContact OE2-CZ 3.23Å; E173-Y307 PolarHBondContact OE2-OH 3.19Å; T174-Y307 HydrophobicContact CG2-CE2 3.81Å; T174-Y307 WeakPolarHBondContact CG2-OH 3.49Å; I305-Y307 HydrophobicContact CG2-CD2 4.37Å; I305-Y307 HydrophobicContact CG2-CE2 3.84Å; Y307-P315 HydrophobicContact CD1-CB 4.11Å; Y307-P315 HydrophobicContact CD1-CG 4.21Å; Y307-K316 WeakPolarHBondContact CA-O 3.19Å
308	T	82.5	Confident	83	Confident	26 Å²	26	34.8 Å²	34.8	16%	0.16	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.5	174.4	67.5	0	0	0	0	110.6	M306 G310 P315 K316 V318 T500	M306-T308 PolarHBondContact O-N 2.88Å; T308-G310 PolarHBondContact O-N 3.3Å; T308-G310 VanDerWaalsContact O-N 3.14Å; T308-P315 CarbonylContact O-C 3.58Å; T308-P315 WeakPolarHBondContact O-CA 3.4Å; T308-P315 WeakPolarHBondContact O-CB 3.36Å; T308-K316 PolarHBondContact N-O 3.32Å; T308-K316 PolarHBondContact O-N 3.01Å; T308-K316 VanDerWaalsContact O-N 3.07Å; T308-V318 HydrophobicContact CG2-CG2 4.09Å; T308-T500 HydrophobicContact CG2-CG2 3.78Å; T308-T500 WeakPolarHBondContact CG2-OG1 3.32Å
309	S	67.8	Low	83.1	Confident	50 Å²	50	34.1 Å²	34.1	35%	0.35	21%	0.212	S	C	.	.			trans	-72.6	105.1	172	61.4	0	0	0	0	109.4
310	G	49.6	Very low	83.3	Confident	20 Å²	20	32.4 Å²	32.4	21%	0.206	20%	0.2	C	C	.	.			trans	-70	148.4	171.3	0	0	0	0	0	111.5	T308 T312	T308-G310 PolarHBondContact O-N 3.3Å; T308-G310 VanDerWaalsContact O-N 3.14Å; G310-T312 PolarHBondContact O-N 2.75Å
311	S	45.9	Very low	83.3	Confident	68 Å²	68	27.2 Å²	27.2	48%	0.476	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.6	165	53.2	0	0	0	0	112.6
312	T	44.7	Very low	83.4	Confident	98 Å²	98	24.9 Å²	24.9	60%	0.601	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	21.8	-173.9	58.9	0	0	0	0	113.9	G310 Q314	G310-T312 PolarHBondContact O-N 2.75Å; T312-Q314 PolarHBondContact O-N 3.22Å
313	G	53.8	Low	83.4	Confident	62 Å²	62	26.2 Å²	26.2	64%	0.639	17%	0.167	S	C	*	.	S	Bend	trans	101.6	-73.4	171.1	0	0	0	0	0	114.7
314	Q	70.6	Confident	83.3	Confident	103 Å²	103	26.8 Å²	26.8	48%	0.481	17%	0.17	S	C	.	.	S	Bend	trans	-85.2	138.5	-177.6	-65	-63.4	-15.9	0	0	112.1	T312	T312-Q314 PolarHBondContact O-N 3.22Å
315	P	81.9	Confident	83.3	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.026	17%	0.169	C	C	.	.			trans	-71.9	153.3	176	33.1	-34.5	0	0	0	110.5	A166 H169 Y307 T308	A166-P315 HydrophobicContact CB-CG 4.11Å; H169-P315 PolarHBondContact NE2-O 3.25Å; Y307-P315 HydrophobicContact CD1-CB 4.11Å; Y307-P315 HydrophobicContact CD1-CG 4.21Å; T308-P315 CarbonylContact O-C 3.58Å; T308-P315 WeakPolarHBondContact O-CA 3.4Å; T308-P315 WeakPolarHBondContact O-CB 3.36Å
316	K	88.9	Confident	83.3	Confident	29 Å²	29	27 Å²	27	13%	0.126	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	-177.2	-57.3	165.7	-178.2	179.1	0	109.6	Y307 T308 Y561 L567	Y307-K316 WeakPolarHBondContact CA-O 3.19Å; T308-K316 PolarHBondContact N-O 3.32Å; T308-K316 PolarHBondContact O-N 3.01Å; T308-K316 VanDerWaalsContact O-N 3.07Å; K316-Y561 HydrophobicContact CB-CD1 4.36Å; K316-L567 HydrophobicContact CD-CD2 3.65Å; K316-L567 HydrophobicContact CG-CD2 4.36Å
317	G	94.9	Very high	83.2	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.6	174	0	0	0	0	0	111.3	Y561 Y562	G317-Y561 CarbonylContact O-C 3.56Å; G317-Y561 VanDerWaalsContact O-CA 3.31Å; G317-Y561 WeakPolarHBondContact O-CA 3.37Å; G317-Y562 PolarHBondContact O-N 3.37Å
318	V	97.5	Very high	83.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127	175	178.1	0	0	0	0	110	I305 M306 T308 M320 T500 E501 Y561	I305-V318 WeakPolarHBondContact CA-O 3.29Å; M306-V318 PolarHBondContact N-O 3.48Å; M306-V318 PolarHBondContact O-N 2.82Å; T308-V318 HydrophobicContact CG2-CG2 4.09Å; V318-M320 HydrophobicContact CG1-CG 4.3Å; V318-T500 HydrophobicContact CB-CG2 3.77Å; V318-T500 HydrophobicContact CG1-CG2 4.04Å; V318-T500 HydrophobicContact CG2-CG2 3.84Å; V318-E501 HydrophobicContact CG1-CG 4.24Å; V318-E501 HydrophobicContact CG2-CG 4.09Å; V318-Y561 HydrophobicContact CG2-CD1 4.17Å; V318-Y561 HydrophobicContact CG2-CE1 4.23Å
319	E	98.2	Very high	84.1	Confident	32 Å²	32	25.6 Å²	25.6	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	103.5	-175.7	-69	-172.8	130.1	0	0	112.9	L302 S558 R559 G560 Y562	L302-E319 HydrophobicContact CD1-CB 3.64Å; L302-E319 HydrophobicContact CD1-CG 4.13Å; L302-E319 HydrophobicContact CD2-CG 4.5Å; E319-S558 VanDerWaalsContact O-CB 3.27Å; E319-S558 WeakPolarHBondContact O-CB 3.4Å; E319-R559 HydrophobicContact CB-CB 3.98Å; E319-R559 PolarHBondContact O-N 3.12Å; E319-G560 PolarHBondContact N-O 2.8Å; E319-Y562 HydrophobicContact CG-CD2 4.12Å; E319-Y562 WeakPolarHBondContact OE1-CD2 3.37Å
320	M	98.4	Very high	85.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.3	179	-62.6	178.1	-70	0	0	111.2	A303 V304 M306 V318 L325 V355 T500 C503	A303-M320 PolarHBondContact N-O 2.71Å; V304-M320 HydrophobicContact CB-CB 4.47Å; V304-M320 HydrophobicContact CB-CE 3.9Å; V304-M320 HydrophobicContact CG1-CE 3.57Å; V304-M320 PolarHBondContact N-O 3.13Å; V304-M320 PolarHBondContact O-N 3.29Å; M306-M320 HydrophobicContact CB-CE 3.48Å; M306-M320 VanDerWaalsContact CB-CE 3.48Å; M306-M320 HydrophobicContact CE-CE 4.08Å; M306-M320 HydrophobicContact CG-CE 4.41Å; M306-M320 HydrophobicContact SD-CE 4.12Å; V318-M320 HydrophobicContact CG1-CG 4.3Å; M320-L325 HydrophobicContact CB-CD1 4.36Å; M320-L325 HydrophobicContact CB-CG 4.31Å; M320-L325 HydrophobicContact SD-CD2 4.09Å; M320-V355 HydrophobicContact SD-CG2 4.06Å; M320-T500 HydrophobicContact CE-CG2 4.48Å; M320-C503 HydrophobicContact SD-CB 4.49Å
321	T	98.1	Very high	87.5	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	167.5	173.8	68.6	0	0	0	0	111.8	L300 D301 E323 N324 L325 R559	L300-T321 VanDerWaalsContact O-CG2 3.31Å; L300-T321 WeakPolarHBondContact O-CG2 3.29Å; D301-T321 WeakPolarHBondContact O-CA 3.42Å; D301-T321 VanDerWaalsContact O-CB 3.25Å; D301-T321 WeakPolarHBondContact O-CB 3.47Å; T321-E323 VanDerWaalsContact C-N 3.3Å; T321-E323 PolarHBondContact O-N 2.95Å; T321-E323 PolarHBondContact OG1-N 3.49Å; T321-N324 PolarHBondContact N-OD1 2.97Å; T321-N324 PolarHBondContact O-N 3.29Å; T321-N324 PolarHBondContact OG1-N 2.8Å; T321-N324 VanDerWaalsContact OG1-N 3.11Å; T321-N324 PolarHBondContact OG1-ND2 2.99Å; T321-N324 PolarHBondContact OG1-OD1 2.65Å; T321-N324 VanDerWaalsContact OG1-OD1 3.08Å; T321-L325 PolarHBondContact O-N 3.42Å; T321-R559 HydrophobicContact CG2-CG 3.76Å
322	H	97.7	Very high	89.8	Confident	1 Å²	1	20 Å²	20	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-55.5	-45.1	169.9	-74.5	-74.1	0	0	0	112.2	D53 L54 F149 A297 P299 D301 N324 L325 V326	D53-H322 HydrophobicContact CB-CB 3.73Å; L54-H322 PolarHBondContact N-ND1 3.27Å; F149-H322 AromaticContact CG-CE1 3.95Å; A297-H322 WeakPolarHBondContact CB-NE2 3.1Å; P299-H322 PolarHBondContact O-N 3.39Å; D301-H322 PolarHBondContact O-CD2 2.89Å; D301-H322 PolarHBondContact O-N 3.12Å; D301-H322 VanDerWaalsContact O-N 3.12Å; H322-N324 VanDerWaalsContact C-N 3.33Å; H322-N324 PolarHBondContact O-N 3.12Å; H322-L325 PolarHBondContact O-N 3.37Å; H322-V326 WeakPolarHBondContact O-CB 3.2Å; H322-V326 VanDerWaalsContact O-CG2 3.27Å; H322-V326 WeakPolarHBondContact O-CG2 3.44Å; H322-V326 PolarHBondContact O-N 3.08Å
323	E	96.8	Very high	92	Very high	50 Å²	50	17 Å²	17	23%	0.234	10%	0.099	C	C	.	.	H	α-helix	trans	-63.6	-37.9	178.4	-173.7	177	-134.1	0	0	112	P299 T321 L325 S327 K555	P299-E323 HydrophobicContact CB-CB 4.02Å; P299-E323 VanDerWaalsContact O-CB 3.26Å; P299-E323 WeakPolarHBondContact O-CB 3.36Å; P299-E323 PolarHBondContact O-N 3.33Å; T321-E323 VanDerWaalsContact C-N 3.3Å; T321-E323 PolarHBondContact O-N 2.95Å; T321-E323 PolarHBondContact OG1-N 3.49Å; E323-L325 PolarHBondContact O-N 2.68Å; E323-S327 VanDerWaalsContact O-CB 3.24Å; E323-S327 WeakPolarHBondContact O-CB 3.37Å; E323-S327 PolarHBondContact O-N 3.45Å; E323-S327 PolarHBondContact O-OG 3.09Å; E323-K555 VanDerWaalsContact CD-CD 3.5Å; E323-K555 HydrophobicContact CG-CD 3.89Å; E323-K555 VanDerWaalsContact OE1-CD 3.26Å; E323-K555 WeakPolarHBondContact OE1-CD 3.38Å; E323-K555 WeakPolarHBondContact OE1-CE 3.32Å; E323-K555 IonicContact OE1-NZ 3.64Å; E323-K555 PolarHBondContact OE1-NZ 2.88Å
324	N	97.6	Very high	93.7	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.064	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-48.8	177.6	-58.7	148.5	0	0	0	111	T321 H322 S327 A328 C503 K555 V557	T321-N324 PolarHBondContact N-OD1 2.97Å; T321-N324 PolarHBondContact O-N 3.29Å; T321-N324 PolarHBondContact OG1-N 2.8Å; T321-N324 VanDerWaalsContact OG1-N 3.11Å; T321-N324 PolarHBondContact OG1-ND2 2.99Å; T321-N324 PolarHBondContact OG1-OD1 2.65Å; T321-N324 VanDerWaalsContact OG1-OD1 3.08Å; H322-N324 VanDerWaalsContact C-N 3.33Å; H322-N324 PolarHBondContact O-N 3.12Å; N324-S327 PolarHBondContact O-OG 2.82Å; N324-A328 WeakPolarHBondContact O-CB 3.3Å; N324-A328 PolarHBondContact O-N 3.09Å; N324-C503 VanDerWaalsContact CB-SG 3.53Å; N324-K555 VanDerWaalsContact CA-O 3.32Å; N324-K555 WeakPolarHBondContact CA-O 3.39Å; N324-K555 PolarHBondContact ND2-O 3.03Å; N324-V557 PolarHBondContact ND2-O 2.73Å
325	L	97.7	Very high	94.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-71.5	-41.3	-179	-69.4	167	0	0	0	112.5	L54 A303 V304 M320 T321 H322 E323 S327 A328 I329 T359 C503	L54-L325 HydrophobicContact CD1-CB 4.39Å; L54-L325 HydrophobicContact CD1-CD1 3.77Å; L54-L325 HydrophobicContact CD2-CB 4.02Å; A303-L325 HydrophobicContact CB-CD1 4.27Å; V304-L325 HydrophobicContact CB-CD1 4.41Å; V304-L325 HydrophobicContact CG2-CD1 3.91Å; M320-L325 HydrophobicContact CB-CD1 4.36Å; M320-L325 HydrophobicContact CB-CG 4.31Å; M320-L325 HydrophobicContact SD-CD2 4.09Å; T321-L325 PolarHBondContact O-N 3.42Å; H322-L325 PolarHBondContact O-N 3.37Å; E323-L325 PolarHBondContact O-N 2.68Å; L325-S327 VanDerWaalsContact C-N 3.35Å; L325-S327 PolarHBondContact O-N 2.99Å; L325-A328 WeakPolarHBondContact O-CB 3.48Å; L325-A328 PolarHBondContact O-N 3.23Å; L325-I329 WeakPolarHBondContact O-CD1 3.29Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.33Å; L325-I329 PolarHBondContact O-N 3.3Å; L325-T359 HydrophobicContact CD2-CG2 4.08Å; L325-C503 HydrophobicContact CD2-CB 4.2Å
326	V	97.1	Very high	94.7	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.024	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-43.5	176.9	167.1	0	0	0	0	111.3	L48 L54 V57 H322 I329 A330	L48-V326 HydrophobicContact CB-CG1 4.41Å; L48-V326 HydrophobicContact CD1-CG1 4.15Å; L48-V326 HydrophobicContact CG-CG1 4.32Å; L54-V326 HydrophobicContact CD2-CG2 4.07Å; V57-V326 HydrophobicContact CG2-CG2 4.15Å; H322-V326 WeakPolarHBondContact O-CB 3.2Å; H322-V326 VanDerWaalsContact O-CG2 3.27Å; H322-V326 WeakPolarHBondContact O-CG2 3.44Å; H322-V326 PolarHBondContact O-N 3.08Å; V326-I329 PolarHBondContact O-N 3.22Å; V326-A330 WeakPolarHBondContact O-CB 3.42Å; V326-A330 PolarHBondContact O-N 2.95Å
327	S	96.7	Very high	94.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.2	-32.6	177.3	63	0	0	0	0	112.7	E323 N324 L325 A330 G331 T525 K555	E323-S327 VanDerWaalsContact O-CB 3.24Å; E323-S327 WeakPolarHBondContact O-CB 3.37Å; E323-S327 PolarHBondContact O-N 3.45Å; E323-S327 PolarHBondContact O-OG 3.09Å; N324-S327 PolarHBondContact O-OG 2.82Å; L325-S327 VanDerWaalsContact C-N 3.35Å; L325-S327 PolarHBondContact O-N 2.99Å; S327-A330 PolarHBondContact O-N 3.32Å; S327-G331 PolarHBondContact O-N 3.45Å; S327-T525 VanDerWaalsContact O-CG2 3.3Å; S327-T525 WeakPolarHBondContact O-CG2 3.31Å; S327-T525 PolarHBondContact O-OG1 3.24Å; S327-K555 VanDerWaalsContact OG-CB 3.25Å; S327-K555 WeakPolarHBondContact OG-CB 3.39Å; S327-K555 PolarHBondContact OG-O 2.66Å
328	A	96.7	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-51.4	171.1	0	0	0	0	0	111.1	N324 L325 A330 G331 H332 C503 T505 P556	N324-A328 WeakPolarHBondContact O-CB 3.3Å; N324-A328 PolarHBondContact O-N 3.09Å; L325-A328 WeakPolarHBondContact O-CB 3.48Å; L325-A328 PolarHBondContact O-N 3.23Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 3.46Å; A328-G331 PolarHBondContact O-N 2.94Å; A328-H332 PolarHBondContact O-N 3.19Å; A328-H332 PolarHBondContact O-ND1 2.72Å; A328-C503 HydrophobicContact CB-CB 3.57Å; A328-T505 WeakPolarHBondContact CA-OG1 3.49Å; A328-T505 VanDerWaalsContact CB-OG1 3.25Å; A328-T505 WeakPolarHBondContact CB-OG1 3.49Å; A328-P556 HydrophobicContact CB-CB 4.19Å
329	I	95.9	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.2	-42.2	177.5	-64.4	158.5	0	0	0	111	L48 L54 L325 V326 G331 H332 L333 L362 I366	L48-I329 HydrophobicContact CD1-CB 4.28Å; L48-I329 HydrophobicContact CD1-CG2 3.89Å; L54-I329 HydrophobicContact CD2-CD1 4.41Å; L325-I329 WeakPolarHBondContact O-CD1 3.29Å; L325-I329 VanDerWaalsContact O-CG1 3.25Å; L325-I329 WeakPolarHBondContact O-CG1 3.33Å; L325-I329 PolarHBondContact O-N 3.3Å; V326-I329 PolarHBondContact O-N 3.22Å; I329-G331 VanDerWaalsContact C-N 3.29Å; I329-G331 PolarHBondContact O-N 3.14Å; I329-H332 PolarHBondContact O-N 2.86Å; I329-L333 HydrophobicContact CG2-CD1 3.74Å; I329-L333 HydrophobicContact CG2-CG 4.14Å; I329-L333 WeakPolarHBondContact O-CB 3.5Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 2.8Å; I329-L362 HydrophobicContact CD1-CB 3.51Å; I329-L362 HydrophobicContact CD1-CD1 4.1Å; I329-L362 HydrophobicContact CD1-CG 4.42Å; I329-L362 HydrophobicContact CG1-CB 4.28Å; I329-I366 HydrophobicContact CG2-CG2 3.99Å
330	A	94.8	Very high	93.4	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-40.8	175.8	0	0	0	0	0	112.4	L48 V326 S327 A328 Q334 T525	L48-A330 HydrophobicContact CD2-CB 3.95Å; L48-A330 HydrophobicContact CG-CB 3.99Å; V326-A330 WeakPolarHBondContact O-CB 3.42Å; V326-A330 PolarHBondContact O-N 2.95Å; S327-A330 PolarHBondContact O-N 3.32Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 3.46Å; A330-Q334 WeakPolarHBondContact O-CG 3.02Å; A330-Q334 PolarHBondContact O-N 2.93Å; A330-Q334 PolarHBondContact O-NE2 2.8Å; A330-Q334 VanDerWaalsContact O-NE2 3.17Å; A330-T525 HydrophobicContact CB-CG2 4.3Å
331	G	93.7	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-41.8	176.8	0	0	0	0	0	112.5	S327 A328 I329 Q334	S327-G331 PolarHBondContact O-N 3.45Å; A328-G331 PolarHBondContact O-N 2.94Å; I329-G331 VanDerWaalsContact C-N 3.29Å; I329-G331 PolarHBondContact O-N 3.14Å; G331-Q334 PolarHBondContact O-N 3.39Å
332	H	93.5	Very high	92.4	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-49.1	176.7	-59.2	154.2	0	0	0	111.4	A328 I329 Q334 R335 L336 S504 T505	A328-H332 PolarHBondContact O-N 3.19Å; A328-H332 PolarHBondContact O-ND1 2.72Å; I329-H332 PolarHBondContact O-N 2.86Å; H332-Q334 VanDerWaalsContact C-N 3.28Å; H332-Q334 PolarHBondContact O-N 3.16Å; H332-R335 PolarHBondContact O-N 3.05Å; H332-R335 VanDerWaalsContact O-N 3.09Å; H332-L336 HydrophobicContact CB-CD1 4.37Å; H332-L336 WeakPolarHBondContact O-CB 3.45Å; H332-L336 VanDerWaalsContact O-CG 3.28Å; H332-L336 WeakPolarHBondContact O-CG 3.27Å; H332-L336 PolarHBondContact O-N 2.84Å; H332-S504 PolarHBondContact NE2-O 2.94Å; H332-T505 PolarHBondContact NE2-OG1 3.46Å
333	L	92.4	Very high	92.2	Very high	36 Å²	36	39.8 Å²	39.8	19%	0.188	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-24.2	-177.1	-71.3	176.8	0	0	0	114.4	L48 I329 R335 L339 I366 M367	L48-L333 HydrophobicContact CD2-CD1 4.12Å; I329-L333 HydrophobicContact CG2-CD1 3.74Å; I329-L333 HydrophobicContact CG2-CG 4.14Å; I329-L333 WeakPolarHBondContact O-CB 3.5Å; I329-L333 WeakPolarHBondContact O-CG 3.45Å; I329-L333 PolarHBondContact O-N 2.8Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-L339 HydrophobicContact CD2-CD1 3.94Å; L333-L339 HydrophobicContact CD2-CG 4.5Å; L333-I366 HydrophobicContact CD1-CG2 3.6Å; L333-M367 HydrophobicContact CD1-CG 4.09Å; L333-M367 HydrophobicContact CD1-SD 4.11Å; L333-M367 HydrophobicContact CD2-CG 3.7Å; L333-M367 HydrophobicContact CD2-SD 4.37Å
334	Q	89.3	Confident	92.2	Very high	91 Å²	91	37.4 Å²	37.4	43%	0.425	17%	0.173	S	C	.	.	H	α-helix	trans	-71.5	-26.9	173.8	-78.1	176.3	59.7	0	0	112.7	T45 A330 G331 H332 P524	T45-Q334 PolarHBondContact OG1-NE2 3.37Å; A330-Q334 WeakPolarHBondContact O-CG 3.02Å; A330-Q334 PolarHBondContact O-N 2.93Å; A330-Q334 PolarHBondContact O-NE2 2.8Å; A330-Q334 VanDerWaalsContact O-NE2 3.17Å; G331-Q334 PolarHBondContact O-N 3.39Å; H332-Q334 VanDerWaalsContact C-N 3.28Å; H332-Q334 PolarHBondContact O-N 3.16Å; Q334-P524 HydrophobicContact CB-CG 4.24Å
335	R	86.5	Confident	92.2	Very high	11 Å²	11	37.8 Å²	37.8	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-99.5	-32.8	-177.4	-165.1	62.4	57.1	137.5	2.4	112.5	E39 H332 L333 L508 M509 E510	E39-R335 IonicContact OE1-CZ 3.18Å; E39-R335 IonicContact OE1-NE 3.84Å; E39-R335 IonicContact OE1-NH2 2.93Å; E39-R335 PolarHBondContact OE1-NH2 3.25Å; E39-R335 IonicContact OE2-NH2 2.72Å; H332-R335 PolarHBondContact O-N 3.05Å; H332-R335 VanDerWaalsContact O-N 3.09Å; L333-R335 VanDerWaalsContact C-N 3.29Å; R335-L508 HydrophobicContact CB-CD2 3.53Å; R335-L508 HydrophobicContact CB-CG 4.11Å; R335-L508 HydrophobicContact CG-CB 4.01Å; R335-L508 HydrophobicContact CG-CD2 3.71Å; R335-L508 HydrophobicContact CG-CG 3.68Å; R335-M509 WeakPolarHBondContact CG-O 3.3Å; R335-E510 IonicContact NH1-OE1 3.94Å; R335-E510 PolarHBondContact NH1-OE1 3.25Å
336	L	86.3	Confident	92.2	Very high	32 Å²	32	38 Å²	38	17%	0.168	18%	0.176	C	C	.	.	S	Bend	trans	-64.1	148.1	173.9	-72.2	175	0	0	0	110.5	H332 V472	H332-L336 HydrophobicContact CB-CD1 4.37Å; H332-L336 WeakPolarHBondContact O-CB 3.45Å; H332-L336 VanDerWaalsContact O-CG 3.28Å; H332-L336 WeakPolarHBondContact O-CG 3.27Å; H332-L336 PolarHBondContact O-N 2.84Å; L336-V472 HydrophobicContact CD2-CG2 3.81Å
337	P	80	Confident	92.3	Very high	17 Å²	17	37.9 Å²	37.9	11%	0.11	17%	0.174	C	C	.	.			trans	-60.8	155.2	171.3	23.2	-28.6	0	0	0	110.5	L339 Y470 C511	P337-L339 WeakPolarHBondContact O-CD2 3.2Å; P337-L339 PolarHBondContact O-N 3.27Å; P337-Y470 HydrophobicContact CB-CD2 4.2Å; P337-Y470 HydrophobicContact CB-CE1 4.18Å; P337-Y470 HydrophobicContact CB-CE2 3.55Å; P337-Y470 HydrophobicContact CG-CD1 3.86Å; P337-Y470 HydrophobicContact CG-CD2 3.26Å; P337-Y470 HydrophobicContact CG-CE1 3.77Å; P337-Y470 HydrophobicContact CG-CE2 3.13Å; P337-Y470 HydrophobicContact CG-CG 3.61Å; P337-Y470 VanDerWaalsContact CG-CZ 3.41Å; P337-C511 HydrophobicContact CB-CB 4.25Å; P337-C511 HydrophobicContact CG-CB 4.37Å
338	K	87.6	Confident	92.2	Very high	178 Å²	178	37.9 Å²	37.9	77%	0.774	17%	0.174	S	C	*	.			trans	-53.3	110.1	176	-173.5	173.7	-177.4	174.5	0	110.8
339	L	92.4	Very high	92.1	Very high	14 Å²	14	38.1 Å²	38.1	7%	0.073	18%	0.176	C	C	.	.			trans	-71.9	144.4	172.6	-54.8	-169.7	0	0	0	109.7	L333 P337 M367 V369 L402	L333-L339 HydrophobicContact CD2-CD1 3.94Å; L333-L339 HydrophobicContact CD2-CG 4.5Å; P337-L339 WeakPolarHBondContact O-CD2 3.2Å; P337-L339 PolarHBondContact O-N 3.27Å; L339-M367 HydrophobicContact CB-CB 4Å; L339-M367 HydrophobicContact CB-CE 4.31Å; L339-M367 HydrophobicContact CB-CG 4.16Å; L339-M367 HydrophobicContact CD1-CB 4.14Å; L339-M367 HydrophobicContact CD1-CG 3.98Å; L339-M367 HydrophobicContact CG-CG 4.44Å; L339-V369 HydrophobicContact CB-CG2 3.97Å; L339-V369 HydrophobicContact CD1-CG2 4.45Å; L339-L402 HydrophobicContact CD1-CD1 4.46Å; L339-L402 HydrophobicContact CD2-CD1 3.8Å; L339-L402 HydrophobicContact CD2-CD2 4.03Å
340	R	91.8	Very high	91.9	Very high	132 Å²	132	38.9 Å²	38.9	50%	0.498	18%	0.18	S	C	.	.			trans	-122.6	103	-172.4	-56.7	176.7	-172.5	-178.7	1.1	109.9	N342 Y343 D344	R340-N342 PolarHBondContact O-N 3.32Å; R340-N342 VanDerWaalsContact O-N 3.1Å; R340-Y343 PolarHBondContact O-N 3.34Å; R340-D344 WeakPolarHBondContact CB-OD2 3.36Å; R340-D344 PolarHBondContact N-OD2 3.4Å; R340-D344 WeakPolarHBondContact O-CB 3.5Å; R340-D344 PolarHBondContact O-N 2.67Å
341	S	89.2	Confident	91.8	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.14	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-39.5	-178.8	53.6	0	0	0	0	114.8	M367 G368	S341-M367 WeakPolarHBondContact CB-O 3.4Å; S341-G368 WeakPolarHBondContact CA-O 3.35Å; S341-G368 WeakPolarHBondContact CB-O 3.42Å
342	N	87.5	Confident	91.8	Very high	112 Å²	112	41.4 Å²	41.4	60%	0.599	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	1.1	-176.5	-69.2	-24.4	0	0	0	115.3	L68 R340	L68-N342 VanDerWaalsContact CD1-OD1 3.24Å; L68-N342 WeakPolarHBondContact CD1-OD1 3.1Å; L68-N342 WeakPolarHBondContact CD2-OD1 3.05Å; R340-N342 PolarHBondContact O-N 3.32Å; R340-N342 VanDerWaalsContact O-N 3.1Å
343	Y	93.3	Very high	91.8	Very high	106 Å²	106	40.7 Å²	40.7	42%	0.416	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-43.1	-174.7	178.1	-90.3	0	0	0	112.5	R340 T401	R340-Y343 PolarHBondContact O-N 3.34Å; Y343-T401 HydrophobicContact CD1-CG2 4.28Å; Y343-T401 HydrophobicContact CE1-CG2 3.79Å
344	D	96.8	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.			trans	-74.5	141.1	-175.8	-72.7	-42.3	0	0	0	111.3	R340 V369 T401 L402 R469	R340-D344 WeakPolarHBondContact CB-OD2 3.36Å; R340-D344 PolarHBondContact N-OD2 3.4Å; R340-D344 WeakPolarHBondContact O-CB 3.5Å; R340-D344 PolarHBondContact O-N 2.67Å; D344-V369 HydrophobicContact CB-CG1 4.07Å; D344-V369 HydrophobicContact CB-CG2 4.18Å; D344-T401 WeakPolarHBondContact CA-OG1 3.27Å; D344-T401 WeakPolarHBondContact CB-OG1 3.25Å; D344-T401 WeakPolarHBondContact OD1-CB 3.49Å; D344-T401 PolarHBondContact OD1-OG1 2.82Å; D344-L402 HydrophobicContact CB-CD1 3.95Å; D344-L402 HydrophobicContact CB-CG 4.14Å; D344-R469 IonicContact OD1-CZ 3.75Å; D344-R469 IonicContact OD1-NH1 3.92Å; D344-R469 PolarHBondContact OD1-NH1 2.86Å; D344-R469 IonicContact OD2-CZ 2.91Å; D344-R469 IonicContact OD2-NH1 3.81Å; D344-R469 PolarHBondContact OD2-NH1 3.18Å
345	I	97.7	Very high	92.1	Very high	20 Å²	20	36.8 Å²	36.8	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.3	175.9	-55.7	-177.7	0	0	0	106.7	W100 R370 L398 P400 T401 L402	W100-I345 HydrophobicContact CH2-CG2 4.22Å; I345-R370 WeakPolarHBondContact CA-O 3.41Å; I345-L398 HydrophobicContact CG2-CD1 3.65Å; I345-L398 HydrophobicContact CG2-CD2 4.03Å; I345-L398 HydrophobicContact CG2-CG 3.7Å; I345-P400 WeakPolarHBondContact O-CA 3.32Å; I345-T401 PolarHBondContact N-OG1 2.88Å; I345-T401 PolarHBondContact O-N 3.32Å; I345-L402 PolarHBondContact O-N 3.37Å; I345-L402 VanDerWaalsContact O-N 3.1Å
346	Y	98.1	Very high	92.4	Very high	6 Å²	6	36.8 Å²	36.8	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	143.4	172.5	-175.1	-104.7	0	0	0	109.8	E357 C360 E361 C364 R370 I371 G372 L402 A404	Y346-E357 PolarHBondContact OH-OE2 3.46Å; Y346-C360 HydrophobicContact CE2-CB 4.17Å; Y346-C360 WeakPolarHBondContact OH-CB 3.49Å; Y346-E361 HydrophobicContact CD1-CG 4.31Å; Y346-E361 HydrophobicContact CE1-CG 3.86Å; Y346-C364 VanDerWaalsContact CB-SG 3.59Å; Y346-R370 PolarHBondContact N-O 3.38Å; Y346-I371 HydrophobicContact CD1-CG1 4.21Å; Y346-I371 HydrophobicContact CD1-CG2 4.1Å; Y346-I371 WeakPolarHBondContact O-CA 3.21Å; Y346-G372 PolarHBondContact O-N 2.81Å; Y346-L402 HydrophobicContact CD2-CB 3.86Å; Y346-A404 HydrophobicContact CE2-CB 4.07Å; Y346-A404 WeakPolarHBondContact OH-CB 3.36Å
347	I	97.3	Very high	92.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.2	171	-171.6	167.8	0	0	0	109.3	Y349 G372 L379 D394 V395 L398 P400 F403	I347-Y349 HydrophobicContact CG2-CD1 4.36Å; I347-G372 WeakPolarHBondContact CA-O 3.37Å; I347-L379 HydrophobicContact CD1-CD1 3.6Å; I347-L379 HydrophobicContact CG1-CD1 4.42Å; I347-D394 HydrophobicContact CD1-CB 4.16Å; I347-V395 HydrophobicContact CD1-CB 4.48Å; I347-V395 HydrophobicContact CD1-CG2 3.5Å; I347-V395 VanDerWaalsContact CD1-CG2 3.5Å; I347-L398 HydrophobicContact CB-CD2 3.81Å; I347-L398 HydrophobicContact CD1-CD2 4.14Å; I347-L398 HydrophobicContact CG1-CD2 3.86Å; I347-P400 HydrophobicContact CB-CB 3.99Å; I347-P400 HydrophobicContact CB-CG 4.21Å; I347-P400 HydrophobicContact CG2-CB 3.94Å; I347-P400 HydrophobicContact CG2-CG 3.96Å; I347-F403 HydrophobicContact CG2-CD2 3.35Å; I347-F403 HydrophobicContact CG2-CE2 3.64Å; I347-F403 HydrophobicContact CG2-CG 4.16Å
348	G	96.2	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.5	178.1	0	0	0	0	0	110.1	E357 G372 Y373 S374	G348-E357 WeakPolarHBondContact CA-OE1 3.42Å; G348-G372 PolarHBondContact N-O 3.49Å; G348-Y373 CarbonylContact O-C 3.55Å; G348-Y373 WeakPolarHBondContact O-CA 3.48Å; G348-S374 PolarHBondContact O-N 3.32Å
349	Y	93.4	Very high	94.1	Very high	6 Å²	6	26 Å²	26	2%	0.024	12%	0.124	C	C	.	.			trans	-147.8	-18	-177.8	77.8	-78.5	0	0	0	113.1	I347 E357 S374 P376 L379 F403 A404 V409	I347-Y349 HydrophobicContact CG2-CD1 4.36Å; Y349-E357 PolarHBondContact N-OE1 3.21Å; Y349-S374 WeakPolarHBondContact CA-O 3.3Å; Y349-P376 HydrophobicContact CD2-CG 4.15Å; Y349-P376 WeakPolarHBondContact O-CD 3.42Å; Y349-L379 HydrophobicContact CD1-CD1 4.05Å; Y349-L379 HydrophobicContact CD2-CD1 4.16Å; Y349-L379 HydrophobicContact CD2-CD2 4.14Å; Y349-L379 HydrophobicContact CE2-CD2 4.02Å; Y349-L379 HydrophobicContact CG-CD1 3.87Å; Y349-F403 HydrophobicContact CE1-CD1 4.47Å; Y349-F403 AromaticContact CE1-CE1 3.81Å; Y349-F403 HydrophobicContact CE1-CE1 3.81Å; Y349-F403 HydrophobicContact CE1-CE2 4.24Å; Y349-F403 AromaticContact CE1-CZ 3.66Å; Y349-F403 HydrophobicContact CE1-CZ 3.66Å; Y349-F403 AromaticContact CZ-CE1 3.85Å; Y349-F403 AromaticContact CZ-CZ 3.82Å; Y349-F403 VanDerWaalsContact OH-CE1 3.29Å; Y349-F403 WeakPolarHBondContact OH-CE1 3.25Å; Y349-A404 VanDerWaalsContact CE1-O 3.22Å; Y349-A404 WeakPolarHBondContact CE1-O 3.05Å; Y349-A404 PolarHBondContact OH-O 3.5Å; Y349-V409 HydrophobicContact CE2-CG2 4.41Å
350	L	92.2	Very high	94.3	Very high	16 Å²	16	26.2 Å²	26.2	8%	0.084	13%	0.127	C	C	.	.	S	Bend	trans	-74.8	156.2	171.8	-64	174.8	0	0	0	108.3	T137 L352 E357 A404 V406	T137-L350 WeakPolarHBondContact CB-O 3.24Å; T137-L350 PolarHBondContact OG1-O 2.93Å; L350-L352 PolarHBondContact O-N 2.98Å; L350-E357 HydrophobicContact CB-CB 4.05Å; L350-E357 HydrophobicContact CB-CG 4.17Å; L350-E357 PolarHBondContact N-OE1 2.93Å; L350-E357 VanDerWaalsContact N-OE1 3.1Å; L350-E357 VanDerWaalsContact O-CG 3.31Å; L350-E357 WeakPolarHBondContact O-CG 3.31Å; L350-A404 HydrophobicContact CD1-CB 4Å; L350-V406 HydrophobicContact CD1-CG1 4.47Å; L350-V406 HydrophobicContact CD2-CG1 4.35Å
351	P	91.9	Very high	94.6	Very high	55 Å²	55	19.9 Å²	19.9	36%	0.357	10%	0.103	S	C	.	.			trans	-62	125.2	-179.1	-23.5	34.7	0	0	0	112.6	T137 Y159 A353 H354 E357	T137-P351 VanDerWaalsContact OG1-CA 3.27Å; T137-P351 WeakPolarHBondContact OG1-CA 3.49Å; Y159-P351 HydrophobicContact CD1-CB 3.9Å; Y159-P351 HydrophobicContact CD1-CG 4.22Å; Y159-P351 HydrophobicContact CE1-CB 3.98Å; Y159-P351 HydrophobicContact CE1-CG 4.3Å; P351-A353 PolarHBondContact O-N 2.95Å; P351-H354 WeakPolarHBondContact O-CA 3.35Å; P351-H354 VanDerWaalsContact O-CB 3.22Å; P351-H354 WeakPolarHBondContact O-CB 3.49Å; P351-H354 PolarHBondContact O-N 3.46Å; P351-E357 WeakPolarHBondContact O-CB 3.49Å
352	L	94.8	Very high	95	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	173.3	-88.5	167.8	0	0	0	113.2	T137 W141 M142 L350 H354 E357 L358 E361 Y373	T137-L352 HydrophobicContact CG2-CD1 3.86Å; T137-L352 HydrophobicContact CG2-CG 3.9Å; T137-L352 PolarHBondContact OG1-N 2.8Å; W141-L352 HydrophobicContact CB-CD1 3.85Å; W141-L352 HydrophobicContact CD2-CB 3.57Å; W141-L352 HydrophobicContact CD2-CD1 3.62Å; W141-L352 HydrophobicContact CD2-CG 4.14Å; W141-L352 VanDerWaalsContact CE2-CB 3.43Å; W141-L352 HydrophobicContact CE3-CB 3.88Å; W141-L352 HydrophobicContact CE3-CD1 3.61Å; W141-L352 HydrophobicContact CE3-CD2 4.17Å; W141-L352 HydrophobicContact CE3-CG 4.11Å; W141-L352 HydrophobicContact CG-CB 4.07Å; W141-L352 HydrophobicContact CG-CD1 3.72Å; W141-L352 HydrophobicContact CH2-CB 4.09Å; W141-L352 HydrophobicContact CZ2-CB 3.74Å; W141-L352 WeakPolarHBondContact CZ2-O 3.31Å; W141-L352 HydrophobicContact CZ3-CB 4.14Å; W141-L352 HydrophobicContact CZ3-CD1 4.42Å; W141-L352 HydrophobicContact CZ3-CD2 4.17Å; W141-L352 HydrophobicContact CZ3-CG 4.5Å; M142-L352 HydrophobicContact CE-CD2 4.12Å; L350-L352 PolarHBondContact O-N 2.98Å; L352-H354 PolarHBondContact O-N 3.1Å; L352-E357 HydrophobicContact CD2-CG 4.03Å; L352-E357 HydrophobicContact CG-CG 4.15Å; L352-L358 HydrophobicContact CD2-CD1 4.36Å; L352-E361 HydrophobicContact CD2-CB 4.4Å; L352-E361 HydrophobicContact CD2-CG 4.22Å; L352-E361 WeakPolarHBondContact CD2-OE1 3.4Å; L352-Y373 HydrophobicContact CD1-CE1 4.36Å
353	A	92.9	Very high	95.4	Very high	2 Å²	2	13.8 Å²	13.8	2%	0.017	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	0.1	167.1	0	0	0	0	0	113.5	Y159 M306 P351	Y159-A353 HydrophobicContact CD1-CB 4.46Å; Y159-A353 HydrophobicContact CG-CB 4.39Å; M306-A353 WeakPolarHBondContact CG-O 3.45Å; M306-A353 VanDerWaalsContact SD-O 3.36Å; P351-A353 PolarHBondContact O-N 2.95Å
354	H	91.9	Very high	95.5	Very high	41 Å²	41	9 Å²	9	19%	0.19	5%	0.051	C	C	.	.	S	Bend	trans	-107.1	131.1	171.2	-169.5	-75	0	0	0	110.2	Y159 P351 L352 L356 E357 L358	Y159-H354 HydrophobicContact CE1-CB 3.98Å; Y159-H354 WeakPolarHBondContact OH-CB 3.05Å; Y159-H354 PolarHBondContact OH-CD2 3.12Å; P351-H354 WeakPolarHBondContact O-CA 3.35Å; P351-H354 VanDerWaalsContact O-CB 3.22Å; P351-H354 WeakPolarHBondContact O-CB 3.49Å; P351-H354 PolarHBondContact O-N 3.46Å; L352-H354 PolarHBondContact O-N 3.1Å; H354-L356 WeakPolarHBondContact ND1-CB 3.38Å; H354-L356 PolarHBondContact ND1-N 3.39Å; H354-L356 PolarHBondContact O-N 2.85Å; H354-L356 VanDerWaalsContact O-N 3.1Å; H354-E357 PolarHBondContact O-N 2.89Å; H354-E357 VanDerWaalsContact O-N 3.09Å; H354-L358 PolarHBondContact O-N 3.03Å
355	V	95.6	Very high	95.5	Very high	4 Å²	4	9 Å²	9	2%	0.024	5%	0.051	C	C	.	.	H	α-helix	trans	-57.3	-32.9	-171.5	66.9	0	0	0	0	114	M306 M320 T359 T500	M306-V355 HydrophobicContact CE-CB 4.33Å; M306-V355 HydrophobicContact SD-CB 3.63Å; M306-V355 PolarHBondContact SD-N 2.79Å; M320-V355 HydrophobicContact SD-CG2 4.06Å; V355-T359 HydrophobicContact CG2-CG2 4.17Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.2Å; V355-T359 PolarHBondContact O-N 2.85Å; V355-T359 PolarHBondContact O-OG1 2.97Å; V355-T500 HydrophobicContact CB-CG2 4.45Å
356	L	94.1	Very high	95.4	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.052	5%	0.047	C	C	.	.	H	α-helix	trans	-59.2	-53.3	176.2	179.4	61.3	0	0	0	111.6	H354 L358 T359 C360 V472	H354-L356 WeakPolarHBondContact ND1-CB 3.38Å; H354-L356 PolarHBondContact ND1-N 3.39Å; H354-L356 PolarHBondContact O-N 2.85Å; H354-L356 VanDerWaalsContact O-N 3.1Å; L356-L358 PolarHBondContact O-N 3.24Å; L356-T359 PolarHBondContact O-N 3.31Å; L356-T359 PolarHBondContact O-OG1 3.15Å; L356-T359 VanDerWaalsContact O-OG1 3.11Å; L356-C360 WeakPolarHBondContact O-CB 3.44Å; L356-C360 PolarHBondContact O-N 2.72Å; L356-C360 PolarHBondContact O-SG 2.9Å; L356-V472 HydrophobicContact CD1-CG1 4.3Å
357	E	95.6	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-43.7	-179	-172.4	77.3	148.2	0	0	110.6	Y346 G348 Y349 L350 P351 L352 H354 T359 C360 E361	Y346-E357 PolarHBondContact OH-OE2 3.46Å; G348-E357 WeakPolarHBondContact CA-OE1 3.42Å; Y349-E357 PolarHBondContact N-OE1 3.21Å; L350-E357 HydrophobicContact CB-CB 4.05Å; L350-E357 HydrophobicContact CB-CG 4.17Å; L350-E357 PolarHBondContact N-OE1 2.93Å; L350-E357 VanDerWaalsContact N-OE1 3.1Å; L350-E357 VanDerWaalsContact O-CG 3.31Å; L350-E357 WeakPolarHBondContact O-CG 3.31Å; P351-E357 WeakPolarHBondContact O-CB 3.49Å; L352-E357 HydrophobicContact CD2-CG 4.03Å; L352-E357 HydrophobicContact CG-CG 4.15Å; H354-E357 PolarHBondContact O-N 2.89Å; H354-E357 VanDerWaalsContact O-N 3.09Å; E357-T359 PolarHBondContact O-N 2.88Å; E357-C360 PolarHBondContact O-N 3.03Å; E357-E361 HydrophobicContact CG-CG 4.42Å; E357-E361 PolarHBondContact O-N 3.47Å
358	L	97.6	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.8	-48.2	178.8	179.5	59.9	0	0	0	111.8	W141 M142 V304 M306 L352 H354 L356 L362	W141-L358 HydrophobicContact CH2-CD1 3.88Å; W141-L358 HydrophobicContact CZ3-CD1 3.74Å; M142-L358 HydrophobicContact CE-CD1 4.36Å; V304-L358 HydrophobicContact CG2-CD2 4.34Å; M306-L358 HydrophobicContact CE-CD2 3.84Å; L352-L358 HydrophobicContact CD2-CD1 4.36Å; H354-L358 PolarHBondContact O-N 3.03Å; L356-L358 PolarHBondContact O-N 3.24Å; L358-L362 HydrophobicContact CD1-CD1 3.93Å; L358-L362 HydrophobicContact CD1-CG 4.24Å; L358-L362 HydrophobicContact CG-CD1 3.98Å; L358-L362 WeakPolarHBondContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.25Å; L358-L362 PolarHBondContact O-N 2.91Å
359	T	96.7	Very high	95.2	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-71.1	-33.7	179.9	53.3	0	0	0	0	112.6	L325 V355 L356 E357 S363	L325-T359 HydrophobicContact CD2-CG2 4.08Å; V355-T359 HydrophobicContact CG2-CG2 4.17Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.2Å; V355-T359 PolarHBondContact O-N 2.85Å; V355-T359 PolarHBondContact O-OG1 2.97Å; L356-T359 PolarHBondContact O-N 3.31Å; L356-T359 PolarHBondContact O-OG1 3.15Å; L356-T359 VanDerWaalsContact O-OG1 3.11Å; E357-T359 PolarHBondContact O-N 2.88Å; T359-S363 VanDerWaalsContact O-CB 3.28Å; T359-S363 WeakPolarHBondContact O-CB 3.48Å; T359-S363 PolarHBondContact O-N 2.95Å; T359-S363 PolarHBondContact O-OG 3.08Å
360	C	96.3	Very high	95.4	Very high	18 Å²	18	13.2 Å²	13.2	12%	0.122	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-46.5	172.3	-75.7	0	0	0	0	112.2	Y346 L356 E357 S363 C364	Y346-C360 HydrophobicContact CE2-CB 4.17Å; Y346-C360 WeakPolarHBondContact OH-CB 3.49Å; L356-C360 WeakPolarHBondContact O-CB 3.44Å; L356-C360 PolarHBondContact O-N 2.72Å; L356-C360 PolarHBondContact O-SG 2.9Å; E357-C360 PolarHBondContact O-N 3.03Å; C360-S363 WeakPolarHBondContact O-CB 3.4Å; C360-S363 PolarHBondContact O-N 3.16Å; C360-C364 PolarHBondContact O-N 3.21Å; C360-C364 PolarHBondContact O-SG 3.06Å
361	E	97.5	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.4	-44.2	177.3	-75.9	-164.6	-150.6	0	0	111.7	M142 Y346 L352 E357 S363 C364 V365 I371 Y373	M142-E361 HydrophobicContact CE-CB 3.83Å; M142-E361 WeakPolarHBondContact CE-OE2 3.21Å; Y346-E361 HydrophobicContact CD1-CG 4.31Å; Y346-E361 HydrophobicContact CE1-CG 3.86Å; L352-E361 HydrophobicContact CD2-CB 4.4Å; L352-E361 HydrophobicContact CD2-CG 4.22Å; L352-E361 WeakPolarHBondContact CD2-OE1 3.4Å; E357-E361 HydrophobicContact CG-CG 4.42Å; E357-E361 PolarHBondContact O-N 3.47Å; E361-S363 VanDerWaalsContact C-N 3.28Å; E361-S363 PolarHBondContact O-N 3.49Å; E361-C364 CarbonylContact O-C 3.26Å; E361-C364 WeakPolarHBondContact O-CA 3.43Å; E361-C364 WeakPolarHBondContact O-CB 3.45Å; E361-C364 PolarHBondContact O-N 3.15Å; E361-V365 WeakPolarHBondContact O-CG2 3.26Å; E361-V365 PolarHBondContact O-N 3.23Å; E361-I371 HydrophobicContact CB-CD1 4.01Å; E361-I371 HydrophobicContact CG-CD1 4.03Å; E361-Y373 WeakPolarHBondContact OE1-CE1 3.37Å; E361-Y373 WeakPolarHBondContact OE2-CE1 3.48Å; E361-Y373 PolarHBondContact OE2-OH 2.91Å
362	L	97.2	Very high	95.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-35.4	175.6	-69.2	169.7	0	0	0	112.3	L54 M142 I329 L358 C364 V365 I366	L54-L362 HydrophobicContact CD2-CD1 3.99Å; M142-L362 HydrophobicContact CE-CD2 4.49Å; M142-L362 HydrophobicContact SD-CD2 4.17Å; I329-L362 HydrophobicContact CD1-CB 3.51Å; I329-L362 HydrophobicContact CD1-CD1 4.1Å; I329-L362 HydrophobicContact CD1-CG 4.42Å; I329-L362 HydrophobicContact CG1-CB 4.28Å; L358-L362 HydrophobicContact CD1-CD1 3.93Å; L358-L362 HydrophobicContact CD1-CG 4.24Å; L358-L362 HydrophobicContact CG-CD1 3.98Å; L358-L362 WeakPolarHBondContact O-CB 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.25Å; L358-L362 PolarHBondContact O-N 2.91Å; L362-C364 VanDerWaalsContact C-N 3.32Å; L362-V365 PolarHBondContact O-N 2.57Å; L362-I366 PolarHBondContact O-N 3.32Å
363	S	95.9	Very high	95.9	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.028	5%	0.05	C	C	.	.	H	α-helix	trans	-64.3	-36.5	171.6	-62.6	0	0	0	0	112.1	T359 C360 E361 I366 M367	T359-S363 VanDerWaalsContact O-CB 3.28Å; T359-S363 WeakPolarHBondContact O-CB 3.48Å; T359-S363 PolarHBondContact O-N 2.95Å; T359-S363 PolarHBondContact O-OG 3.08Å; C360-S363 WeakPolarHBondContact O-CB 3.4Å; C360-S363 PolarHBondContact O-N 3.16Å; E361-S363 VanDerWaalsContact C-N 3.28Å; E361-S363 PolarHBondContact O-N 3.49Å; S363-I366 WeakPolarHBondContact O-CG2 3.49Å; S363-M367 WeakPolarHBondContact O-CB 3.49Å; S363-M367 VanDerWaalsContact O-CG 3.31Å; S363-M367 WeakPolarHBondContact O-CG 3.35Å; S363-M367 PolarHBondContact O-N 2.57Å
364	C	96.8	Very high	95.9	Very high	4 Å²	4	11 Å²	11	3%	0.027	5%	0.054	C	C	.	.	H	α-helix	trans	-67.8	-44.8	173.8	-67.9	0	0	0	0	111.1	Y346 C360 E361 L362 M367 G368 V369 I371	Y346-C364 VanDerWaalsContact CB-SG 3.59Å; C360-C364 PolarHBondContact O-N 3.21Å; C360-C364 PolarHBondContact O-SG 3.06Å; E361-C364 CarbonylContact O-C 3.26Å; E361-C364 WeakPolarHBondContact O-CA 3.43Å; E361-C364 WeakPolarHBondContact O-CB 3.45Å; E361-C364 PolarHBondContact O-N 3.15Å; L362-C364 VanDerWaalsContact C-N 3.32Å; C364-M367 CarbonylContact O-C 3.38Å; C364-M367 PolarHBondContact O-N 2.59Å; C364-G368 PolarHBondContact O-N 2.86Å; C364-V369 HydrophobicContact CB-CB 3.86Å; C364-V369 HydrophobicContact CB-CG1 4.09Å; C364-V369 PolarHBondContact O-N 2.87Å; C364-I371 HydrophobicContact CB-CD1 4.01Å; C364-I371 HydrophobicContact CB-CG1 3.94Å
365	V	96.4	Very high	95.7	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	5%	0.054	C	C	.	.	H	α-helix	trans	-57.6	-53.3	177.4	171	0	0	0	0	110.8	W58 T61 F71 F103 E361 L362 M367 G368 I371	W58-V365 HydrophobicContact CE3-CG1 3.81Å; W58-V365 HydrophobicContact CZ3-CG1 4.31Å; W58-V365 HydrophobicContact CZ3-CG2 4.35Å; T61-V365 WeakPolarHBondContact CB-O 3.5Å; T61-V365 HydrophobicContact CG2-CG1 4.5Å; T61-V365 WeakPolarHBondContact CG2-O 3.22Å; T61-V365 PolarHBondContact OG1-O 3Å; F71-V365 HydrophobicContact CE1-CG2 4.28Å; F71-V365 HydrophobicContact CZ-CG2 4.05Å; F103-V365 HydrophobicContact CE1-CG1 4.49Å; E361-V365 WeakPolarHBondContact O-CG2 3.26Å; E361-V365 PolarHBondContact O-N 3.23Å; L362-V365 PolarHBondContact O-N 2.57Å; V365-M367 PolarHBondContact O-N 3.35Å; V365-M367 VanDerWaalsContact O-N 3.12Å; V365-G368 PolarHBondContact O-N 3.11Å; V365-I371 HydrophobicContact CG2-CD1 4.23Å
366	I	95.2	Very high	95.1	Very high	5 Å²	5	14 Å²	14	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-25.8	-178.5	-169.1	60.2	0	0	0	113.1	L48 V57 T61 I329 L333 L362 S363	L48-I366 HydrophobicContact CD1-CG1 4.28Å; V57-I366 HydrophobicContact CB-CD1 4.29Å; V57-I366 HydrophobicContact CG1-CB 3.9Å; V57-I366 HydrophobicContact CG1-CD1 4.06Å; V57-I366 HydrophobicContact CG1-CG1 4.4Å; V57-I366 HydrophobicContact CG2-CD1 4.31Å; T61-I366 VanDerWaalsContact OG1-CA 3.29Å; T61-I366 WeakPolarHBondContact OG1-CA 3.24Å; I329-I366 HydrophobicContact CG2-CG2 3.99Å; L333-I366 HydrophobicContact CD1-CG2 3.6Å; L362-I366 PolarHBondContact O-N 3.32Å; S363-I366 WeakPolarHBondContact O-CG2 3.49Å
367	M	94.9	Very high	94.6	Very high	52 Å²	52	17 Å²	17	26%	0.256	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.4	178.8	-65.4	-55.6	-61.7	0	0	113.8	L333 L339 S341 S363 C364 V365 V369	L333-M367 HydrophobicContact CD1-CG 4.09Å; L333-M367 HydrophobicContact CD1-SD 4.11Å; L333-M367 HydrophobicContact CD2-CG 3.7Å; L333-M367 HydrophobicContact CD2-SD 4.37Å; L339-M367 HydrophobicContact CB-CB 4Å; L339-M367 HydrophobicContact CB-CE 4.31Å; L339-M367 HydrophobicContact CB-CG 4.16Å; L339-M367 HydrophobicContact CD1-CB 4.14Å; L339-M367 HydrophobicContact CD1-CG 3.98Å; L339-M367 HydrophobicContact CG-CG 4.44Å; S341-M367 WeakPolarHBondContact CB-O 3.4Å; S363-M367 WeakPolarHBondContact O-CB 3.49Å; S363-M367 VanDerWaalsContact O-CG 3.31Å; S363-M367 WeakPolarHBondContact O-CG 3.35Å; S363-M367 PolarHBondContact O-N 2.57Å; C364-M367 CarbonylContact O-C 3.38Å; C364-M367 PolarHBondContact O-N 2.59Å; V365-M367 PolarHBondContact O-N 3.35Å; V365-M367 VanDerWaalsContact O-N 3.12Å; M367-V369 HydrophobicContact CB-CG2 4.1Å; M367-V369 PolarHBondContact O-N 3.29Å
368	G	95.8	Very high	94.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	24.3	-179.7	0	0	0	0	0	113.8	S341 C364 V365	S341-G368 WeakPolarHBondContact CA-O 3.35Å; S341-G368 WeakPolarHBondContact CB-O 3.42Å; C364-G368 PolarHBondContact O-N 2.86Å; V365-G368 PolarHBondContact O-N 3.11Å
369	V	97.3	Very high	93.8	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.094	C	C	.	.			trans	-83.5	137.5	179.8	171.7	0	0	0	0	109.6	L339 D344 C364 M367 L402	L339-V369 HydrophobicContact CB-CG2 3.97Å; L339-V369 HydrophobicContact CD1-CG2 4.45Å; D344-V369 HydrophobicContact CB-CG1 4.07Å; D344-V369 HydrophobicContact CB-CG2 4.18Å; C364-V369 HydrophobicContact CB-CB 3.86Å; C364-V369 HydrophobicContact CB-CG1 4.09Å; C364-V369 PolarHBondContact O-N 2.87Å; M367-V369 HydrophobicContact CB-CG2 4.1Å; M367-V369 PolarHBondContact O-N 3.29Å; V369-L402 HydrophobicContact CG1-CD1 4Å
370	R	97.1	Very high	93.4	Very high	63 Å²	63	19.8 Å²	19.8	24%	0.238	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.7	-179.2	-25.6	-171	159.1	152.7	5.3	110.7	P69 A70 W100 I345 Y346	P69-R370 WeakPolarHBondContact O-CB 3.29Å; P69-R370 WeakPolarHBondContact O-CD 3.41Å; P69-R370 WeakPolarHBondContact O-CG 3.4Å; P69-R370 PolarHBondContact O-NE 2.77Å; A70-R370 CarbonylContact O-C 3.53Å; A70-R370 WeakPolarHBondContact O-CA 3.22Å; W100-R370 HydrophobicContact CE3-CB 4.21Å; W100-R370 HydrophobicContact CH2-CB 3.91Å; W100-R370 HydrophobicContact CZ3-CB 3.47Å; W100-R370 VanDerWaalsContact CZ3-CB 3.47Å; I345-R370 WeakPolarHBondContact CA-O 3.41Å; Y346-R370 PolarHBondContact N-O 3.38Å
371	I	98.2	Very high	92.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.2	179	-60	165.2	0	0	0	108	A70 F71 G72 W100 Y346 E361 C364 V365 Y373	A70-I371 PolarHBondContact O-N 2.73Å; F71-I371 HydrophobicContact CD1-CD1 4.46Å; F71-I371 HydrophobicContact CE1-CD1 4.06Å; G72-I371 PolarHBondContact N-O 2.9Å; W100-I371 WeakPolarHBondContact CZ3-O 3.45Å; Y346-I371 HydrophobicContact CD1-CG1 4.21Å; Y346-I371 HydrophobicContact CD1-CG2 4.1Å; Y346-I371 WeakPolarHBondContact O-CA 3.21Å; E361-I371 HydrophobicContact CB-CD1 4.01Å; E361-I371 HydrophobicContact CG-CD1 4.03Å; C364-I371 HydrophobicContact CB-CD1 4.01Å; C364-I371 HydrophobicContact CB-CG1 3.94Å; V365-I371 HydrophobicContact CG2-CD1 4.23Å; I371-Y373 HydrophobicContact CG2-CD1 4.29Å; I371-Y373 HydrophobicContact CG2-CD2 4.35Å; I371-Y373 HydrophobicContact CG2-CE1 3.92Å; I371-Y373 HydrophobicContact CG2-CE2 3.98Å; I371-Y373 HydrophobicContact CG2-CG 4.49Å
372	G	97	Very high	92.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.9	167.8	0	0	0	0	0	109.7	Y346 I347 G348	Y346-G372 PolarHBondContact O-N 2.81Å; I347-G372 WeakPolarHBondContact CA-O 3.37Å; G348-G372 PolarHBondContact N-O 3.49Å
373	Y	95	Very high	91.6	Very high	14 Å²	14	28 Å²	28	6%	0.055	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.3	178.8	-69.9	-76	0	0	0	111.4	F71 G72 T73 Y98 T137 A139 G348 L352 E361 I371	F71-Y373 HydrophobicContact CB-CE2 4.22Å; F71-Y373 AromaticContact CD1-CE2 3.82Å; F71-Y373 HydrophobicContact CD1-CE2 3.82Å; F71-Y373 HydrophobicContact CG-CE2 4.49Å; G72-Y373 PolarHBondContact O-N 2.78Å; T73-Y373 HydrophobicContact CG2-CD2 4.17Å; Y98-Y373 WeakPolarHBondContact CE1-O 3.39Å; Y98-Y373 PolarHBondContact OH-O 3.14Å; T137-Y373 HydrophobicContact CG2-CD1 3.76Å; T137-Y373 HydrophobicContact CG2-CE1 3.93Å; A139-Y373 HydrophobicContact CB-CD2 3.86Å; A139-Y373 HydrophobicContact CB-CE2 3.51Å; G348-Y373 CarbonylContact O-C 3.55Å; G348-Y373 WeakPolarHBondContact O-CA 3.48Å; L352-Y373 HydrophobicContact CD1-CE1 4.36Å; E361-Y373 WeakPolarHBondContact OE1-CE1 3.37Å; E361-Y373 WeakPolarHBondContact OE2-CE1 3.48Å; E361-Y373 PolarHBondContact OE2-OH 2.91Å; I371-Y373 HydrophobicContact CG2-CD1 4.29Å; I371-Y373 HydrophobicContact CG2-CD2 4.35Å; I371-Y373 HydrophobicContact CG2-CE1 3.92Å; I371-Y373 HydrophobicContact CG2-CE2 3.98Å; I371-Y373 HydrophobicContact CG2-CG 4.49Å
374	S	92.6	Very high	90.9	Very high	12 Å²	12	30.9 Å²	30.9	8%	0.084	17%	0.173	C	C	.	.			trans	-147.3	173.2	-175.9	176.6	0	0	0	0	109.3	G348 Y349 D394	G348-S374 PolarHBondContact O-N 3.32Å; Y349-S374 WeakPolarHBondContact CA-O 3.3Å; S374-D394 WeakPolarHBondContact CA-OD2 3.45Å; S374-D394 VanDerWaalsContact CB-OD2 3.25Å; S374-D394 WeakPolarHBondContact CB-OD2 3.32Å; S374-D394 WeakPolarHBondContact OG-CB 3.4Å; S374-D394 VanDerWaalsContact OG-CG 3.25Å; S374-D394 PolarHBondContact OG-OD2 3.44Å
375	N	86.5	Confident	90.3	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	19%	0.185	C	C	.	.			trans	-127.1	147.5	173.4	-174.5	-72.7	0	0	0	109.2	Q377 T378 L379	N375-Q377 PolarHBondContact O-N 2.84Å; N375-Q377 VanDerWaalsContact OD1-CB 3.31Å; N375-Q377 WeakPolarHBondContact OD1-CB 3.49Å; N375-Q377 WeakPolarHBondContact OD1-CG 3.38Å; N375-Q377 PolarHBondContact OD1-N 2.76Å; N375-T378 HydrophobicContact CB-CG2 4.47Å; N375-T378 WeakPolarHBondContact CB-OG1 3.34Å; N375-T378 PolarHBondContact N-OG1 2.85Å; N375-T378 VanDerWaalsContact N-OG1 3.15Å; N375-T378 CarbonylContact O-C 3.52Å; N375-T378 PolarHBondContact O-N 2.88Å; N375-T378 PolarHBondContact O-OG1 3.3Å; N375-L379 PolarHBondContact O-N 3.09Å
376	P	83.1	Confident	89.8	Confident	71 Å²	71	34.4 Å²	34.4	46%	0.461	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-31.9	173.5	-28.1	33.7	0	0	0	113.9	Y349	Y349-P376 HydrophobicContact CD2-CG 4.15Å; Y349-P376 WeakPolarHBondContact O-CD 3.42Å
377	Q	84.2	Confident	89.4	Confident	74 Å²	74	34.8 Å²	34.8	35%	0.346	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.8	-179	-54.7	178	14.9	0	0	114	N375 S383 R385	N375-Q377 PolarHBondContact O-N 2.84Å; N375-Q377 VanDerWaalsContact OD1-CB 3.31Å; N375-Q377 WeakPolarHBondContact OD1-CB 3.49Å; N375-Q377 WeakPolarHBondContact OD1-CG 3.38Å; N375-Q377 PolarHBondContact OD1-N 2.76Å; Q377-S383 CarbonylContact O-C 3.54Å; Q377-S383 WeakPolarHBondContact O-CB 3.5Å; Q377-R385 HydrophobicContact CB-CB 4.17Å; Q377-R385 HydrophobicContact CB-CG 3.87Å; Q377-R385 WeakPolarHBondContact O-CB 3.4Å; Q377-R385 PolarHBondContact O-N 2.86Å; Q377-R385 VanDerWaalsContact OE1-CD 3.3Å
378	T	88.2	Confident	88.8	Confident	10 Å²	10	40.5 Å²	40.5	6%	0.061	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-3.4	174.6	61	0	0	0	0	113.5	L93 L95 N375 T380 R385 I386 G393 D394	L93-T378 HydrophobicContact CD1-CG2 4.35Å; L95-T378 HydrophobicContact CD1-CG2 4Å; N375-T378 HydrophobicContact CB-CG2 4.47Å; N375-T378 WeakPolarHBondContact CB-OG1 3.34Å; N375-T378 PolarHBondContact N-OG1 2.85Å; N375-T378 VanDerWaalsContact N-OG1 3.15Å; N375-T378 CarbonylContact O-C 3.52Å; N375-T378 PolarHBondContact O-N 2.88Å; N375-T378 PolarHBondContact O-OG1 3.3Å; T378-T380 PolarHBondContact O-N 3.1Å; T378-R385 HydrophobicContact CG2-CB 3.99Å; T378-I386 HydrophobicContact CG2-CD1 4.17Å; T378-G393 WeakPolarHBondContact O-CA 3.28Å; T378-D394 VanDerWaalsContact CB-OD2 3.27Å; T378-D394 WeakPolarHBondContact CB-OD2 3.25Å; T378-D394 PolarHBondContact O-N 2.87Å; T378-D394 PolarHBondContact OG1-OD2 2.99Å
379	L	88.4	Confident	88.2	Confident	12 Å²	12	48.6 Å²	48.6	6%	0.063	25%	0.25	C	C	.	.	S	Bend	trans	-55.5	-45	-172.4	-172.1	70.2	0	0	0	114.1	I347 Y349 N375 D394 V395 F403	I347-L379 HydrophobicContact CD1-CD1 3.6Å; I347-L379 HydrophobicContact CG1-CD1 4.42Å; Y349-L379 HydrophobicContact CD1-CD1 4.05Å; Y349-L379 HydrophobicContact CD2-CD1 4.16Å; Y349-L379 HydrophobicContact CD2-CD2 4.14Å; Y349-L379 HydrophobicContact CE2-CD2 4.02Å; Y349-L379 HydrophobicContact CG-CD1 3.87Å; N375-L379 PolarHBondContact O-N 3.09Å; L379-D394 PolarHBondContact O-N 2.77Å; L379-V395 HydrophobicContact CD1-CG2 3.46Å; L379-V395 VanDerWaalsContact CD1-CG2 3.46Å; L379-V395 HydrophobicContact CG-CG2 3.72Å; L379-V395 VanDerWaalsContact O-CB 3.26Å; L379-V395 WeakPolarHBondContact O-CB 3.27Å; L379-V395 WeakPolarHBondContact O-CG2 3.45Å; L379-V395 PolarHBondContact O-N 2.99Å; L379-F403 HydrophobicContact CD1-CE2 4.38Å; L379-F403 HydrophobicContact CD1-CZ 4.5Å; L379-F403 HydrophobicContact CD2-CZ 4.26Å
380	T	87.8	Confident	87.6	Confident	38 Å²	38	55.9 Å²	55.9	23%	0.233	28%	0.278	C	S	.	.	S	Bend	trans	-117.7	159.4	-176.4	69.7	0	0	0	0	111	T378 T382 S383	T378-T380 PolarHBondContact O-N 3.1Å; T380-T382 PolarHBondContact O-N 3.45Å; T380-T382 PolarHBondContact OG1-OG1 2.99Å; T380-T382 VanDerWaalsContact OG1-OG1 3.12Å; T380-S383 PolarHBondContact N-OG 3.27Å; T380-S383 VanDerWaalsContact O-CB 3.29Å; T380-S383 WeakPolarHBondContact O-CB 3.32Å; T380-S383 PolarHBondContact O-N 3.33Å; T380-S383 PolarHBondContact O-OG 2.98Å; T380-S383 PolarHBondContact OG1-N 3.25Å; T380-S383 PolarHBondContact OG1-OG 2.73Å
381	D	86.5	Confident	87.3	Confident	64 Å²	64	53.9 Å²	53.9	34%	0.342	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.2	177	-58.8	-28.9	0	0	0	112.9	G393 S396	D381-G393 WeakPolarHBondContact OD1-CA 3.37Å; D381-G393 PolarHBondContact OD1-N 2.82Å; D381-S396 VanDerWaalsContact CG-OG 3.22Å; D381-S396 VanDerWaalsContact OD1-CB 3.29Å; D381-S396 WeakPolarHBondContact OD1-CB 3.33Å; D381-S396 PolarHBondContact OD1-OG 3.06Å; D381-S396 VanDerWaalsContact OD1-OG 3.13Å; D381-S396 PolarHBondContact OD2-OG 3.31Å
382	T	81.7	Confident	86.9	Confident	106 Å²	106	58 Å²	58	65%	0.65	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.6	178.3	52.1	0	0	0	0	113.6	T380	T380-T382 PolarHBondContact O-N 3.45Å; T380-T382 PolarHBondContact OG1-OG1 2.99Å; T380-T382 VanDerWaalsContact OG1-OG1 3.12Å
383	S	84.2	Confident	86.6	Confident	19 Å²	19	58 Å²	58	13%	0.133	30%	0.295	C	S	.	.	S	Bend	trans	-66.4	152	-178.8	-65.5	0	0	0	0	111.6	Q377 T380 R385 I386	Q377-S383 CarbonylContact O-C 3.54Å; Q377-S383 WeakPolarHBondContact O-CB 3.5Å; T380-S383 PolarHBondContact N-OG 3.27Å; T380-S383 VanDerWaalsContact O-CB 3.29Å; T380-S383 WeakPolarHBondContact O-CB 3.32Å; T380-S383 PolarHBondContact O-N 3.33Å; T380-S383 PolarHBondContact O-OG 2.98Å; T380-S383 PolarHBondContact OG1-N 3.25Å; T380-S383 PolarHBondContact OG1-OG 2.73Å; S383-R385 VanDerWaalsContact C-N 3.29Å; S383-R385 PolarHBondContact O-N 3.11Å; S383-I386 PolarHBondContact O-N 3.14Å; S383-I386 VanDerWaalsContact O-N 3.08Å
384	S	81.5	Confident	86.6	Confident	65 Å²	65	57.5 Å²	57.5	46%	0.455	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.4	-166.8	55.6	0	0	0	0	115.5
385	R	84.5	Confident	86.6	Confident	74 Å²	74	57 Å²	57	28%	0.279	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.3	178	-71.4	-171.4	179.4	165.4	9.2	113.6	I91 L93 Q377 T378 S383	I91-R385 WeakPolarHBondContact O-CA 3.46Å; L93-R385 WeakPolarHBondContact CB-O 3.43Å; L93-R385 HydrophobicContact CD1-CB 4.23Å; L93-R385 HydrophobicContact CG-CB 4.32Å; L93-R385 PolarHBondContact N-O 3.29Å; Q377-R385 HydrophobicContact CB-CB 4.17Å; Q377-R385 HydrophobicContact CB-CG 3.87Å; Q377-R385 WeakPolarHBondContact O-CB 3.4Å; Q377-R385 PolarHBondContact O-N 2.86Å; Q377-R385 VanDerWaalsContact OE1-CD 3.3Å; T378-R385 HydrophobicContact CG2-CB 3.99Å; S383-R385 VanDerWaalsContact C-N 3.29Å; S383-R385 PolarHBondContact O-N 3.11Å
386	I	86.9	Confident	86.9	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.026	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-86.1	122.2	175.9	-65.7	-59.8	0	0	0	109.8	L95 T378 S383 R388	L95-I386 HydrophobicContact CD1-CD1 3.79Å; T378-I386 HydrophobicContact CG2-CD1 4.17Å; S383-I386 PolarHBondContact O-N 3.14Å; S383-I386 VanDerWaalsContact O-N 3.08Å; I386-R388 PolarHBondContact O-N 2.98Å; I386-R388 VanDerWaalsContact O-N 3.13Å
387	K	85.8	Confident	87.5	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.061	28%	0.277	C	S	.	.			trans	-71.5	106.7	171.4	-166.2	-179.3	-175.3	-179.4	0	110	D80 E92 L93 D389 Y390 C391	D80-K387 IonicContact OD1-NZ 3.84Å; D80-K387 WeakPolarHBondContact OD2-CD 3.35Å; D80-K387 VanDerWaalsContact OD2-CE 3.32Å; D80-K387 WeakPolarHBondContact OD2-CE 3.36Å; D80-K387 IonicContact OD2-NZ 3.46Å; D80-K387 PolarHBondContact OD2-NZ 3.1Å; E92-K387 HydrophobicContact CB-CB 4.11Å; E92-K387 HydrophobicContact CB-CG 4.34Å; L93-K387 WeakPolarHBondContact O-CB 3.49Å; L93-K387 PolarHBondContact O-N 3.04Å; L93-K387 VanDerWaalsContact O-N 3.11Å; K387-D389 PolarHBondContact O-N 2.79Å; K387-Y390 HydrophobicContact CD-CD1 4.43Å; K387-Y390 HydrophobicContact CD-CD2 3.54Å; K387-Y390 HydrophobicContact CD-CE2 4.1Å; K387-Y390 HydrophobicContact CD-CG 3.73Å; K387-Y390 VanDerWaalsContact CE-CD2 3.44Å; K387-Y390 VanDerWaalsContact CE-CE2 3.44Å; K387-Y390 HydrophobicContact CG-CD2 3.65Å; K387-Y390 HydrophobicContact CG-CE2 4.38Å; K387-Y390 HydrophobicContact CG-CG 4.13Å; K387-Y390 PolarHBondContact O-N 3.42Å; K387-C391 PolarHBondContact O-N 2.79Å
388	R	82.3	Confident	88	Confident	171 Å²	171	52 Å²	52	65%	0.645	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.3	-179.7	-64	-174.6	-177.8	-178.6	0.9	111.3	I386 Y390	I386-R388 PolarHBondContact O-N 2.98Å; I386-R388 VanDerWaalsContact O-N 3.13Å; R388-Y390 VanDerWaalsContact O-CD2 3.28Å; R388-Y390 WeakPolarHBondContact O-CD2 3.43Å; R388-Y390 PolarHBondContact O-N 3.3Å; R388-Y390 VanDerWaalsContact O-N 3.15Å
389	D	83.5	Confident	88.4	Confident	170 Å²	170	57.3 Å²	57.3	91%	0.909	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-1.7	179.2	-48.6	-47.9	0	0	0	116.3	K387	K387-D389 PolarHBondContact O-N 2.79Å
390	Y	85.6	Confident	88.8	Confident	155 Å²	155	56.8 Å²	56.8	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-35.4	177.1	-74.4	-94.2	0	0	0	113.4	K387 R388	K387-Y390 HydrophobicContact CD-CD1 4.43Å; K387-Y390 HydrophobicContact CD-CD2 3.54Å; K387-Y390 HydrophobicContact CD-CE2 4.1Å; K387-Y390 HydrophobicContact CD-CG 3.73Å; K387-Y390 VanDerWaalsContact CE-CD2 3.44Å; K387-Y390 VanDerWaalsContact CE-CE2 3.44Å; K387-Y390 HydrophobicContact CG-CD2 3.65Å; K387-Y390 HydrophobicContact CG-CE2 4.38Å; K387-Y390 HydrophobicContact CG-CG 4.13Å; K387-Y390 PolarHBondContact O-N 3.42Å; R388-Y390 VanDerWaalsContact O-CD2 3.28Å; R388-Y390 WeakPolarHBondContact O-CD2 3.43Å; R388-Y390 PolarHBondContact O-N 3.3Å; R388-Y390 VanDerWaalsContact O-N 3.15Å
391	C	89.4	Confident	89.2	Confident	20 Å²	20	55 Å²	55	14%	0.135	27%	0.268	C	S	.	.			trans	-148.3	160.3	176.3	69.6	0	0	0	0	111.9	L93 T94 L95 K387	L93-C391 PolarHBondContact O-SG 3.42Å; T94-C391 HydrophobicContact CG2-CB 4.49Å; L95-C391 PolarHBondContact N-SG 3.14Å; L95-C391 WeakPolarHBondContact O-CB 3.26Å; K387-C391 PolarHBondContact O-N 2.79Å
392	L	90.8	Very high	89.7	Confident	88 Å²	88	52.5 Å²	52.5	46%	0.461	26%	0.255	S	S	.	.			trans	-83.7	151.4	173.2	-60.1	178.2	0	0	0	111	R74 L397	R74-L392 PolarHBondContact NH1-O 2.84Å; R74-L392 PolarHBondContact NH2-O 3.07Å; R74-L392 VanDerWaalsContact NH2-O 3.16Å; L392-L397 HydrophobicContact CB-CB 4.37Å; L392-L397 HydrophobicContact CD1-CD1 4.37Å
393	G	91	Very high	90.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.225	C	C	.	.			trans	-69.6	162.5	164.4	0	0	0	0	0	111.8	T378 D381 V395 S396 L397	T378-G393 WeakPolarHBondContact O-CA 3.28Å; D381-G393 WeakPolarHBondContact OD1-CA 3.37Å; D381-G393 PolarHBondContact OD1-N 2.82Å; G393-V395 PolarHBondContact O-N 2.88Å; G393-S396 PolarHBondContact O-N 3.38Å; G393-L397 PolarHBondContact O-N 2.78Å; G393-L397 VanDerWaalsContact O-N 3.11Å
394	D	93.7	Very high	90.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-40.1	-167.4	-62.6	-39.3	0	0	0	112.8	R74 Y98 I347 S374 T378 L379 S396 L397 L398	R74-D394 WeakPolarHBondContact CD-OD1 3.34Å; R74-D394 IonicContact CZ-OD1 2.82Å; R74-D394 IonicContact NE-OD1 3.9Å; R74-D394 IonicContact NH1-OD1 3.31Å; R74-D394 PolarHBondContact NH1-OD1 2.92Å; Y98-D394 WeakPolarHBondContact OH-CB 3.44Å; I347-D394 HydrophobicContact CD1-CB 4.16Å; S374-D394 WeakPolarHBondContact CA-OD2 3.45Å; S374-D394 VanDerWaalsContact CB-OD2 3.25Å; S374-D394 WeakPolarHBondContact CB-OD2 3.32Å; S374-D394 WeakPolarHBondContact OG-CB 3.4Å; S374-D394 VanDerWaalsContact OG-CG 3.25Å; S374-D394 PolarHBondContact OG-OD2 3.44Å; T378-D394 VanDerWaalsContact CB-OD2 3.27Å; T378-D394 WeakPolarHBondContact CB-OD2 3.25Å; T378-D394 PolarHBondContact O-N 2.87Å; T378-D394 PolarHBondContact OG1-OD2 2.99Å; L379-D394 PolarHBondContact O-N 2.77Å; D394-S396 VanDerWaalsContact C-N 3.35Å; D394-S396 PolarHBondContact O-N 2.9Å; D394-L397 PolarHBondContact O-N 2.92Å; D394-L398 WeakPolarHBondContact O-CB 3.33Å; D394-L398 PolarHBondContact O-N 3.01Å
395	V	93.5	Very high	91.3	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-38.6	179.9	173.6	0	0	0	0	112	I347 L379 G393 R399 P400 F403 M464 G465	I347-V395 HydrophobicContact CD1-CB 4.48Å; I347-V395 HydrophobicContact CD1-CG2 3.5Å; I347-V395 VanDerWaalsContact CD1-CG2 3.5Å; L379-V395 HydrophobicContact CD1-CG2 3.46Å; L379-V395 VanDerWaalsContact CD1-CG2 3.46Å; L379-V395 HydrophobicContact CG-CG2 3.72Å; L379-V395 VanDerWaalsContact O-CB 3.26Å; L379-V395 WeakPolarHBondContact O-CB 3.27Å; L379-V395 WeakPolarHBondContact O-CG2 3.45Å; L379-V395 PolarHBondContact O-N 2.99Å; G393-V395 PolarHBondContact O-N 2.88Å; V395-R399 WeakPolarHBondContact O-CA 3.32Å; V395-R399 PolarHBondContact O-N 3.35Å; V395-R399 VanDerWaalsContact O-N 3.09Å; V395-P400 HydrophobicContact CG1-CG 4.28Å; V395-P400 WeakPolarHBondContact O-CD 3.4Å; V395-F403 HydrophobicContact CG2-CE2 4.06Å; V395-M464 HydrophobicContact CG1-CB 4.16Å; V395-G465 WeakPolarHBondContact O-CA 3.33Å
396	S	92.9	Very high	91.5	Very high	24 Å²	24	41.5 Å²	41.5	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-39.5	177.4	-71.1	0	0	0	0	111.5	D381 G393 D394 R399	D381-S396 VanDerWaalsContact CG-OG 3.22Å; D381-S396 VanDerWaalsContact OD1-CB 3.29Å; D381-S396 WeakPolarHBondContact OD1-CB 3.33Å; D381-S396 PolarHBondContact OD1-OG 3.06Å; D381-S396 VanDerWaalsContact OD1-OG 3.13Å; D381-S396 PolarHBondContact OD2-OG 3.31Å; G393-S396 PolarHBondContact O-N 3.38Å; D394-S396 VanDerWaalsContact C-N 3.35Å; D394-S396 PolarHBondContact O-N 2.9Å; S396-R399 VanDerWaalsContact O-CG 3.24Å; S396-R399 WeakPolarHBondContact O-CG 3.33Å
397	L	94.3	Very high	91.2	Very high	38 Å²	38	41.4 Å²	41.4	20%	0.199	19%	0.192	C	C	.	.	H	α-helix	trans	-78.6	-53.9	-179.2	-171.6	64.4	0	0	0	112.9	E97 Y98 L392 G393 D394 R399	E97-L397 WeakPolarHBondContact OE2-CD1 3.21Å; Y98-L397 HydrophobicContact CD2-CD2 3.91Å; Y98-L397 HydrophobicContact CD2-CG 4.27Å; Y98-L397 HydrophobicContact CE2-CD2 4.32Å; L392-L397 HydrophobicContact CB-CB 4.37Å; L392-L397 HydrophobicContact CD1-CD1 4.37Å; G393-L397 PolarHBondContact O-N 2.78Å; G393-L397 VanDerWaalsContact O-N 3.11Å; D394-L397 PolarHBondContact O-N 2.92Å; L397-R399 VanDerWaalsContact C-N 3.3Å; L397-R399 PolarHBondContact O-N 3.08Å
398	L	95.4	Very high	90.5	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-32	-176.4	-172.8	64.4	0	0	0	112.2	Y98 W100 I345 I347 D394	Y98-L398 HydrophobicContact CD1-CD1 4.37Å; Y98-L398 HydrophobicContact CD2-CB 4.37Å; Y98-L398 HydrophobicContact CD2-CD1 4.08Å; Y98-L398 HydrophobicContact CE1-CD1 4.27Å; Y98-L398 HydrophobicContact CE2-CB 3.75Å; Y98-L398 HydrophobicContact CE2-CD1 3.96Å; Y98-L398 HydrophobicContact CE2-CG 4.31Å; Y98-L398 HydrophobicContact CG-CD1 4.29Å; W100-L398 HydrophobicContact CH2-CD1 3.8Å; W100-L398 HydrophobicContact CZ2-CD1 3.56Å; I345-L398 HydrophobicContact CG2-CD1 3.65Å; I345-L398 HydrophobicContact CG2-CD2 4.03Å; I345-L398 HydrophobicContact CG2-CG 3.7Å; I347-L398 HydrophobicContact CB-CD2 3.81Å; I347-L398 HydrophobicContact CD1-CD2 4.14Å; I347-L398 HydrophobicContact CG1-CD2 3.86Å; D394-L398 WeakPolarHBondContact O-CB 3.33Å; D394-L398 PolarHBondContact O-N 3.01Å
399	R	96.4	Very high	90.4	Very high	123 Å²	123	35.2 Å²	35.2	46%	0.464	17%	0.174	S	C	.	.			trans	49.5	60.7	-176	-57.4	-177.5	65.3	-168.9	-0.9	111.8	V395 S396 L397 G465 R467	V395-R399 WeakPolarHBondContact O-CA 3.32Å; V395-R399 PolarHBondContact O-N 3.35Å; V395-R399 VanDerWaalsContact O-N 3.09Å; S396-R399 VanDerWaalsContact O-CG 3.24Å; S396-R399 WeakPolarHBondContact O-CG 3.33Å; L397-R399 VanDerWaalsContact C-N 3.3Å; L397-R399 PolarHBondContact O-N 3.08Å; R399-G465 PolarHBondContact NE-O 3.46Å; R399-R467 HydrophobicContact CB-CG 4.35Å; R399-R467 VanDerWaalsContact O-CZ 3.27Å; R399-R467 PolarHBondContact O-NE 2.96Å; R399-R467 PolarHBondContact O-NH2 2.88Å
400	P	97.1	Very high	90.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.131	C	C	.	.			trans	-60.5	153.1	-174	27	-34.8	0	0	0	111.9	I345 I347 V395 F403 R467 I468	I345-P400 WeakPolarHBondContact O-CA 3.32Å; I347-P400 HydrophobicContact CB-CB 3.99Å; I347-P400 HydrophobicContact CB-CG 4.21Å; I347-P400 HydrophobicContact CG2-CB 3.94Å; I347-P400 HydrophobicContact CG2-CG 3.96Å; V395-P400 HydrophobicContact CG1-CG 4.28Å; V395-P400 WeakPolarHBondContact O-CD 3.4Å; P400-F403 HydrophobicContact CG-CD2 4.37Å; P400-R467 CarbonylContact O-C 3.58Å; P400-I468 WeakPolarHBondContact O-CG1 3.47Å; P400-I468 PolarHBondContact O-N 2.77Å
401	T	96.9	Very high	89.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-105.8	-22.4	171.8	66.5	0	0	0	0	112	Y343 D344 I345 R467 R469 Y470	Y343-T401 HydrophobicContact CD1-CG2 4.28Å; Y343-T401 HydrophobicContact CE1-CG2 3.79Å; D344-T401 WeakPolarHBondContact CA-OG1 3.27Å; D344-T401 WeakPolarHBondContact CB-OG1 3.25Å; D344-T401 WeakPolarHBondContact OD1-CB 3.49Å; D344-T401 PolarHBondContact OD1-OG1 2.82Å; I345-T401 PolarHBondContact N-OG1 2.88Å; I345-T401 PolarHBondContact O-N 3.32Å; T401-R467 WeakPolarHBondContact CA-O 3.39Å; T401-R467 HydrophobicContact CG2-CB 4.16Å; T401-R469 PolarHBondContact O-N 3.42Å; T401-Y470 PolarHBondContact O-N 3.43Å
402	L	96.4	Very high	89.2	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.068	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.4	178.1	-54.5	177.5	0	0	0	108.9	L339 D344 I345 Y346 V369 Y470	L339-L402 HydrophobicContact CD1-CD1 4.46Å; L339-L402 HydrophobicContact CD2-CD1 3.8Å; L339-L402 HydrophobicContact CD2-CD2 4.03Å; D344-L402 HydrophobicContact CB-CD1 3.95Å; D344-L402 HydrophobicContact CB-CG 4.14Å; I345-L402 PolarHBondContact O-N 3.37Å; I345-L402 VanDerWaalsContact O-N 3.1Å; Y346-L402 HydrophobicContact CD2-CB 3.86Å; V369-L402 HydrophobicContact CG1-CD1 4Å; L402-Y470 HydrophobicContact CD2-CD2 4.17Å
403	F	95.2	Very high	88.6	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	110.3	-173.7	-164.5	-77.7	0	0	0	110	I347 Y349 L379 V395 P400 M464 I468 Y470 I471 V472	I347-F403 HydrophobicContact CG2-CD2 3.35Å; I347-F403 HydrophobicContact CG2-CE2 3.64Å; I347-F403 HydrophobicContact CG2-CG 4.16Å; Y349-F403 HydrophobicContact CE1-CD1 4.47Å; Y349-F403 AromaticContact CE1-CE1 3.81Å; Y349-F403 HydrophobicContact CE1-CE1 3.81Å; Y349-F403 HydrophobicContact CE1-CE2 4.24Å; Y349-F403 AromaticContact CE1-CZ 3.66Å; Y349-F403 HydrophobicContact CE1-CZ 3.66Å; Y349-F403 AromaticContact CZ-CE1 3.85Å; Y349-F403 AromaticContact CZ-CZ 3.82Å; Y349-F403 VanDerWaalsContact OH-CE1 3.29Å; Y349-F403 WeakPolarHBondContact OH-CE1 3.25Å; L379-F403 HydrophobicContact CD1-CE2 4.38Å; L379-F403 HydrophobicContact CD1-CZ 4.5Å; L379-F403 HydrophobicContact CD2-CZ 4.26Å; V395-F403 HydrophobicContact CG2-CE2 4.06Å; P400-F403 HydrophobicContact CG-CD2 4.37Å; F403-M464 HydrophobicContact CD1-CE 4.2Å; F403-M464 HydrophobicContact CD2-CE 3.91Å; F403-M464 HydrophobicContact CE1-CE 3.97Å; F403-M464 HydrophobicContact CE2-CE 3.68Å; F403-M464 HydrophobicContact CG-CE 4.19Å; F403-M464 HydrophobicContact CZ-CE 3.72Å; F403-I468 HydrophobicContact CB-CD1 4.11Å; F403-I468 HydrophobicContact CB-CG2 4.4Å; F403-I468 HydrophobicContact CD2-CD1 3.95Å; F403-I468 HydrophobicContact CG-CD1 4.18Å; F403-Y470 PolarHBondContact N-O 3.33Å; F403-I471 HydrophobicContact CB-CG1 4.22Å; F403-I471 CarbonylContact O-C 3.4Å; F403-I471 WeakPolarHBondContact O-CA 3.41Å; F403-V472 PolarHBondContact O-N 2.8Å
404	A	94.6	Very high	88.2	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	140	166.2	0	0	0	0	0	109.5	Y346 Y349 L350 V472	Y346-A404 HydrophobicContact CE2-CB 4.07Å; Y346-A404 WeakPolarHBondContact OH-CB 3.36Å; Y349-A404 VanDerWaalsContact CE1-O 3.22Å; Y349-A404 WeakPolarHBondContact CE1-O 3.05Å; Y349-A404 PolarHBondContact OH-O 3.5Å; L350-A404 HydrophobicContact CD1-CB 4Å; A404-V472 CarbonylContact C-O 3.6Å; A404-V472 WeakPolarHBondContact CA-O 3.48Å
405	S	91.4	Very high	87.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.8	-178	-152.7	0	0	0	0	112.2	V472 C473 G474	S405-V472 PolarHBondContact N-O 2.67Å; S405-C473 WeakPolarHBondContact O-CA 3.38Å; S405-G474 PolarHBondContact O-N 3.12Å
406	V	87.4	Confident	86.7	Confident	27 Å²	27	35.6 Å²	35.6	16%	0.164	17%	0.173	C	C	.	.			trans	-119.4	152.9	170.3	-62.3	0	0	0	0	107.8	L350 T408 V409 L410	L350-V406 HydrophobicContact CD1-CG1 4.47Å; L350-V406 HydrophobicContact CD2-CG1 4.35Å; V406-T408 PolarHBondContact O-N 3.42Å; V406-T408 VanDerWaalsContact O-N 3.1Å; V406-V409 HydrophobicContact CG2-CB 4.18Å; V406-V409 HydrophobicContact CG2-CG2 3.64Å; V406-V409 PolarHBondContact O-N 3.37Å; V406-L410 PolarHBondContact O-N 3.17Å
407	P	80.7	Confident	86.3	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-49.7	-42.9	-174.8	-30.5	35.4	0	0	0	114.1	V409 L410 E411 A476 P477 L478	P407-V409 VanDerWaalsContact C-N 3.28Å; P407-V409 PolarHBondContact O-N 3.08Å; P407-L410 WeakPolarHBondContact O-CB 3.4Å; P407-L410 PolarHBondContact O-N 3.1Å; P407-L410 VanDerWaalsContact O-N 3.08Å; P407-E411 WeakPolarHBondContact O-CG 3.23Å; P407-E411 PolarHBondContact O-N 3.31Å; P407-A476 HydrophobicContact CG-CB 4.04Å; P407-A476 WeakPolarHBondContact CG-O 3.3Å; P407-P477 WeakPolarHBondContact CG-O 3.44Å; P407-L478 HydrophobicContact CB-CD1 4.07Å; P407-L478 HydrophobicContact CG-CB 4.28Å; P407-L478 HydrophobicContact CG-CD1 4.28Å
408	T	72.9	Confident	85.8	Confident	32 Å²	32	36.2 Å²	36.2	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-28.8	-177.9	59.6	0	0	0	0	113.6	V406 R412 L743	V406-T408 PolarHBondContact O-N 3.42Å; V406-T408 VanDerWaalsContact O-N 3.1Å; T408-R412 VanDerWaalsContact O-CG 3.25Å; T408-R412 WeakPolarHBondContact O-CG 3.3Å; T408-R412 PolarHBondContact O-N 3.42Å; T408-R412 VanDerWaalsContact O-N 3.16Å; T408-L743 HydrophobicContact CG2-CB 4.39Å; T408-L743 HydrophobicContact CG2-CD1 3.81Å
409	V	78.6	Confident	85.3	Confident	22 Å²	22	40.8 Å²	40.8	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-72.7	-43.4	173.8	171.6	0	0	0	0	109.9	Y349 V406 P407 E411 R412 I413	Y349-V409 HydrophobicContact CE2-CG2 4.41Å; V406-V409 HydrophobicContact CG2-CB 4.18Å; V406-V409 HydrophobicContact CG2-CG2 3.64Å; V406-V409 PolarHBondContact O-N 3.37Å; P407-V409 VanDerWaalsContact C-N 3.28Å; P407-V409 PolarHBondContact O-N 3.08Å; V409-E411 PolarHBondContact O-N 2.91Å; V409-R412 PolarHBondContact O-N 2.99Å; V409-I413 HydrophobicContact CG1-CD1 3.88Å; V409-I413 WeakPolarHBondContact O-CD1 3.21Å; V409-I413 VanDerWaalsContact O-CG1 3.26Å; V409-I413 WeakPolarHBondContact O-CG1 3.49Å; V409-I413 PolarHBondContact O-N 2.65Å
410	L	83.3	Confident	84.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-40.3	176.7	-60.7	179.3	0	0	0	112.1	V406 P407 I413 S414 I471 C473 L478 T486 I493	V406-L410 PolarHBondContact O-N 3.17Å; P407-L410 WeakPolarHBondContact O-CB 3.4Å; P407-L410 PolarHBondContact O-N 3.1Å; P407-L410 VanDerWaalsContact O-N 3.08Å; L410-I413 PolarHBondContact O-N 3.12Å; L410-S414 WeakPolarHBondContact O-CB 3.35Å; L410-S414 PolarHBondContact O-N 2.84Å; L410-I471 HydrophobicContact CD2-CD1 4.47Å; L410-I471 HydrophobicContact CD2-CG2 4.24Å; L410-C473 HydrophobicContact CD1-CB 4.28Å; L410-L478 HydrophobicContact CD1-CD1 4.05Å; L410-T486 HydrophobicContact CD2-CG2 4.25Å; L410-I493 HydrophobicContact CD1-CD1 3.65Å
411	E	75.4	Confident	84.2	Confident	82 Å²	82	42 Å²	42	38%	0.383	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-44.5	175.3	-73.6	167.2	-178	0	0	111.8	P407 V409 I413 S414 K415	P407-E411 WeakPolarHBondContact O-CG 3.23Å; P407-E411 PolarHBondContact O-N 3.31Å; V409-E411 PolarHBondContact O-N 2.91Å; E411-I413 VanDerWaalsContact C-N 3.32Å; E411-I413 PolarHBondContact O-N 2.95Å; E411-S414 PolarHBondContact O-N 3.2Å; E411-K415 WeakPolarHBondContact O-CB 3.35Å; E411-K415 PolarHBondContact O-N 3.04Å
412	R	75	Confident	83.7	Confident	156 Å²	156	45.7 Å²	45.7	59%	0.589	22%	0.22	S	C	*	.	H	α-helix	trans	-60.3	-42	174.1	-73.8	175.1	-157.1	-173.1	6.5	111.9	T408 V409 K415 A416	T408-R412 VanDerWaalsContact O-CG 3.25Å; T408-R412 WeakPolarHBondContact O-CG 3.3Å; T408-R412 PolarHBondContact O-N 3.42Å; T408-R412 VanDerWaalsContact O-N 3.16Å; V409-R412 PolarHBondContact O-N 2.99Å; R412-K415 PolarHBondContact O-N 3.27Å; R412-A416 WeakPolarHBondContact O-CB 3.36Å; R412-A416 PolarHBondContact O-N 3.26Å
413	I	78.6	Confident	83.3	Confident	24 Å²	24	49.3 Å²	49.3	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-45	177.4	-66.5	161.8	0	0	0	110.2	V409 L410 E411 K415 A416 V417 M464 I490	V409-I413 HydrophobicContact CG1-CD1 3.88Å; V409-I413 WeakPolarHBondContact O-CD1 3.21Å; V409-I413 VanDerWaalsContact O-CG1 3.26Å; V409-I413 WeakPolarHBondContact O-CG1 3.49Å; V409-I413 PolarHBondContact O-N 2.65Å; L410-I413 PolarHBondContact O-N 3.12Å; E411-I413 VanDerWaalsContact C-N 3.32Å; E411-I413 PolarHBondContact O-N 2.95Å; I413-K415 PolarHBondContact O-N 3.41Å; I413-A416 PolarHBondContact O-N 3.25Å; I413-V417 WeakPolarHBondContact O-CG2 3.48Å; I413-V417 PolarHBondContact O-N 2.79Å; I413-M464 HydrophobicContact CD1-CE 3.62Å; I413-M464 HydrophobicContact CD1-SD 3.83Å; I413-M464 HydrophobicContact CG2-CG 4.34Å; I413-M464 HydrophobicContact CG2-SD 3.94Å; I413-I490 HydrophobicContact CG2-CD1 3.5Å
414	S	81.6	Confident	82.8	Confident	16 Å²	16	51.1 Å²	51.1	11%	0.112	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-47.8	176	-175.5	0	0	0	0	111.8	L410 E411 A416 V417 W418 F485	L410-S414 WeakPolarHBondContact O-CB 3.35Å; L410-S414 PolarHBondContact O-N 2.84Å; E411-S414 PolarHBondContact O-N 3.2Å; S414-A416 PolarHBondContact O-N 3.24Å; S414-V417 PolarHBondContact O-N 3.21Å; S414-W418 VanDerWaalsContact O-CD1 3.28Å; S414-W418 PolarHBondContact O-N 3.26Å; S414-F485 VanDerWaalsContact CA-CE1 3.49Å; S414-F485 VanDerWaalsContact OG-CD1 3.27Å; S414-F485 WeakPolarHBondContact OG-CD1 3.34Å; S414-F485 WeakPolarHBondContact OG-CE1 3.22Å; S414-F485 WeakPolarHBondContact OG-CG 3.42Å
415	K	78.5	Confident	82.5	Confident	121 Å²	121	52.8 Å²	52.8	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-47.8	176.1	-177.3	178.3	175.9	-179.4	0	111.9	E411 R412 I413 V417 W418 E419	E411-K415 WeakPolarHBondContact O-CB 3.35Å; E411-K415 PolarHBondContact O-N 3.04Å; R412-K415 PolarHBondContact O-N 3.27Å; I413-K415 PolarHBondContact O-N 3.41Å; K415-V417 VanDerWaalsContact C-N 3.3Å; K415-V417 PolarHBondContact O-N 3.2Å; K415-W418 PolarHBondContact O-N 3.31Å; K415-W418 VanDerWaalsContact O-N 3.16Å; K415-E419 WeakPolarHBondContact CE-OE1 3.38Å; K415-E419 HydrophobicContact CG-CG 4.47Å; K415-E419 WeakPolarHBondContact O-CG 3.42Å; K415-E419 PolarHBondContact O-N 2.84Å
416	A	79.1	Confident	82.5	Confident	47 Å²	47	60.9 Å²	60.9	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-37.2	178.8	0	0	0	0	0	112.6	R412 I413 S414 K420	R412-A416 WeakPolarHBondContact O-CB 3.36Å; R412-A416 PolarHBondContact O-N 3.26Å; I413-A416 PolarHBondContact O-N 3.25Å; S414-A416 PolarHBondContact O-N 3.24Å; A416-K420 PolarHBondContact O-N 2.87Å
417	V	84.1	Confident	82.6	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-47.4	173.7	174.2	0	0	0	0	110.6	I413 S414 K415 E419 K420 V421 F432 V460 L463 F485	I413-V417 WeakPolarHBondContact O-CG2 3.48Å; I413-V417 PolarHBondContact O-N 2.79Å; S414-V417 PolarHBondContact O-N 3.21Å; K415-V417 VanDerWaalsContact C-N 3.3Å; K415-V417 PolarHBondContact O-N 3.2Å; V417-E419 PolarHBondContact O-N 2.89Å; V417-K420 PolarHBondContact O-N 3.49Å; V417-V421 HydrophobicContact CG1-CG2 4.36Å; V417-V421 WeakPolarHBondContact O-CG2 3.3Å; V417-V421 PolarHBondContact O-N 3.13Å; V417-F432 HydrophobicContact CG1-CZ 4.16Å; V417-V460 HydrophobicContact CG1-CG1 3.86Å; V417-V460 HydrophobicContact CG1-CG2 4.28Å; V417-V460 HydrophobicContact CG2-CG1 3.77Å; V417-L463 HydrophobicContact CG2-CD1 3.83Å; V417-F485 HydrophobicContact CB-CZ 3.91Å; V417-F485 HydrophobicContact CG1-CZ 3.83Å; V417-F485 HydrophobicContact CG2-CZ 4.42Å
418	W	84.2	Confident	83	Confident	71 Å²	71	70.6 Å²	70.6	27%	0.269	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-39.1	179.4	-82.5	117.9	0	0	0	113	S414 K415 K420 V421 N422 F432 K433 F485	S414-W418 VanDerWaalsContact O-CD1 3.28Å; S414-W418 PolarHBondContact O-N 3.26Å; K415-W418 PolarHBondContact O-N 3.31Å; K415-W418 VanDerWaalsContact O-N 3.16Å; W418-K420 VanDerWaalsContact C-N 3.31Å; W418-K420 PolarHBondContact O-N 2.87Å; W418-V421 HydrophobicContact CE3-CB 4.29Å; W418-V421 HydrophobicContact CE3-CG1 4.19Å; W418-V421 HydrophobicContact CZ3-CG1 4.17Å; W418-V421 PolarHBondContact O-N 3.33Å; W418-N422 VanDerWaalsContact O-CB 3.31Å; W418-N422 WeakPolarHBondContact O-CB 3.27Å; W418-N422 PolarHBondContact O-N 3.36Å; W418-N422 PolarHBondContact O-ND2 2.94Å; W418-F432 HydrophobicContact CE3-CD1 4.37Å; W418-F432 HydrophobicContact CE3-CE1 4.3Å; W418-F432 AromaticContact CH2-CD1 3.68Å; W418-F432 HydrophobicContact CH2-CD1 3.68Å; W418-F432 AromaticContact CH2-CE1 3.61Å; W418-F432 HydrophobicContact CH2-CE1 3.61Å; W418-F432 HydrophobicContact CZ2-CD1 4.41Å; W418-F432 AromaticContact CZ2-CE1 3.88Å; W418-F432 HydrophobicContact CZ2-CE1 3.88Å; W418-F432 AromaticContact CZ3-CD1 3.65Å; W418-F432 HydrophobicContact CZ3-CD1 3.65Å; W418-F432 AromaticContact CZ3-CE1 3.84Å; W418-F432 HydrophobicContact CZ3-CE1 3.84Å; W418-K433 HydrophobicContact CH2-CG 4.42Å; W418-F485 AromaticContact CD1-CE2 3.94Å; W418-F485 AromaticContact CE2-CE2 3.85Å; W418-F485 HydrophobicContact CZ2-CE2 4.26Å; W418-F485 AromaticContact NE1-CD2 3.68Å; W418-F485 AromaticContact NE1-CE2 3.32Å; W418-F485 VanDerWaalsContact NE1-CE2 3.32Å
419	E	84.1	Confident	83.8	Confident	109 Å²	109	71.6 Å²	71.6	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-43.9	173.2	-75.3	173.7	-179.9	0	0	111.2	K415 V417 N422 A423	K415-E419 WeakPolarHBondContact CE-OE1 3.38Å; K415-E419 HydrophobicContact CG-CG 4.47Å; K415-E419 WeakPolarHBondContact O-CG 3.42Å; K415-E419 PolarHBondContact O-N 2.84Å; V417-E419 PolarHBondContact O-N 2.89Å; E419-N422 PolarHBondContact O-N 2.9Å; E419-A423 WeakPolarHBondContact O-CB 3.47Å; E419-A423 PolarHBondContact O-N 3.09Å
420	K	83.2	Confident	84.4	Confident	137 Å²	137	73.3 Å²	73.3	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-67.3	-37.4	177.1	-166.6	168.9	-171.7	168.3	0	112.9	A416 V417 W418	A416-K420 PolarHBondContact O-N 2.87Å; V417-K420 PolarHBondContact O-N 3.49Å; W418-K420 VanDerWaalsContact C-N 3.31Å; W418-K420 PolarHBondContact O-N 2.87Å
421	V	86.3	Confident	84.8	Confident	11 Å²	11	76.4 Å²	76.4	7%	0.067	40%	0.404	C	S	.	.	H	α-helix	trans	-65.9	-44.2	174.8	169.8	0	0	0	0	110.4	V417 W418 A423 G424 Q429 F432	V417-V421 HydrophobicContact CG1-CG2 4.36Å; V417-V421 WeakPolarHBondContact O-CG2 3.3Å; V417-V421 PolarHBondContact O-N 3.13Å; W418-V421 HydrophobicContact CE3-CB 4.29Å; W418-V421 HydrophobicContact CE3-CG1 4.19Å; W418-V421 HydrophobicContact CZ3-CG1 4.17Å; W418-V421 PolarHBondContact O-N 3.33Å; V421-A423 VanDerWaalsContact C-N 3.34Å; V421-A423 PolarHBondContact O-N 3.21Å; V421-G424 PolarHBondContact O-N 2.96Å; V421-G424 VanDerWaalsContact O-N 3.17Å; V421-Q429 HydrophobicContact CG1-CG 4.19Å; V421-F432 HydrophobicContact CG1-CB 3.78Å; V421-F432 HydrophobicContact CG1-CD1 3.96Å; V421-F432 HydrophobicContact CG1-CG 3.93Å; V421-F432 HydrophobicContact CG2-CB 4.3Å; V421-F432 HydrophobicContact CG2-CD1 3.95Å; V421-F432 HydrophobicContact CG2-CD2 3.84Å; V421-F432 HydrophobicContact CG2-CE1 4.21Å; V421-F432 HydrophobicContact CG2-CE2 4.13Å; V421-F432 HydrophobicContact CG2-CG 3.74Å; V421-F432 HydrophobicContact CG2-CZ 4.3Å
422	N	87.3	Confident	85.6	Confident	78 Å²	78	72.8 Å²	72.8	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-36.5	-179.2	-70.7	-20.8	0	0	0	112.2	W418 E419 G424 Q429	W418-N422 VanDerWaalsContact O-CB 3.31Å; W418-N422 WeakPolarHBondContact O-CB 3.27Å; W418-N422 PolarHBondContact O-N 3.36Å; W418-N422 PolarHBondContact O-ND2 2.94Å; E419-N422 PolarHBondContact O-N 2.9Å; N422-G424 PolarHBondContact O-N 3.25Å; N422-Q429 PolarHBondContact O-NE2 3.38Å; N422-Q429 VanDerWaalsContact O-NE2 3.12Å
423	A	87.7	Confident	86.3	Confident	89 Å²	89	70.1 Å²	70.1	74%	0.736	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.1	174.9	0	0	0	0	0	114.1	E419 V421 G425	E419-A423 WeakPolarHBondContact O-CB 3.47Å; E419-A423 PolarHBondContact O-N 3.09Å; V421-A423 VanDerWaalsContact C-N 3.34Å; V421-A423 PolarHBondContact O-N 3.21Å; A423-G425 VanDerWaalsContact C-N 3.34Å; A423-G425 PolarHBondContact O-N 3.39Å
424	G	85.1	Confident	86.9	Confident	41 Å²	41	74.7 Å²	74.7	42%	0.423	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	10.5	-177.7	0	0	0	0	0	116.2	V421 N422 L428	V421-G424 PolarHBondContact O-N 2.96Å; V421-G424 VanDerWaalsContact O-N 3.17Å; N422-G424 PolarHBondContact O-N 3.25Å; G424-L428 WeakPolarHBondContact O-CB 3.31Å
425	G	88.4	Confident	87.3	Confident	36 Å²	36	73.9 Å²	73.9	37%	0.371	39%	0.394	S	S	.	.	H	α-helix	trans	78.6	172.9	179.9	0	0	0	0	0	114.6	A423 F427 L428 Q429	A423-G425 VanDerWaalsContact C-N 3.34Å; A423-G425 PolarHBondContact O-N 3.39Å; G425-F427 VanDerWaalsContact C-N 3.34Å; G425-F427 PolarHBondContact O-N 2.79Å; G425-L428 PolarHBondContact O-N 3.08Å; G425-Q429 WeakPolarHBondContact O-CG 3.27Å; G425-Q429 PolarHBondContact O-N 3.04Å; G425-Q429 VanDerWaalsContact O-N 3.15Å
426	E	90.2	Very high	87.9	Confident	170 Å²	170	69.4 Å²	69.4	79%	0.794	37%	0.374	S	S	*	.	H	α-helix	trans	-60.6	-38.8	-171.4	-63.5	-174.1	163.7	0	0	113.6	Q429 A430	E426-Q429 PolarHBondContact O-N 3.37Å; E426-A430 WeakPolarHBondContact O-CB 3.28Å; E426-A430 PolarHBondContact O-N 3.29Å
427	F	91	Very high	88.3	Confident	166 Å²	166	69.5 Å²	69.5	73%	0.728	38%	0.375	S	S	*	.	H	α-helix	trans	-62.3	-45.4	178.4	175.2	-101	0	0	0	111.9	G425 Q429 A430 L431	G425-F427 VanDerWaalsContact C-N 3.34Å; G425-F427 PolarHBondContact O-N 2.79Å; F427-Q429 VanDerWaalsContact C-N 3.34Å; F427-A430 PolarHBondContact O-N 3.07Å; F427-L431 HydrophobicContact CE1-CD2 4.18Å; F427-L431 HydrophobicContact CZ-CD2 4.43Å; F427-L431 VanDerWaalsContact O-CB 3.31Å; F427-L431 WeakPolarHBondContact O-CB 3.44Å; F427-L431 PolarHBondContact O-N 3.22Å
428	L	87.9	Confident	88.5	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.366	39%	0.387	S	S	.	.	H	α-helix	trans	-67.3	-38.8	-180	-171.2	66.8	0	0	0	111.1	G424 G425 L431 F432	G424-L428 WeakPolarHBondContact O-CB 3.31Å; G425-L428 PolarHBondContact O-N 3.08Å; L428-L431 PolarHBondContact O-N 3.45Å; L428-F432 VanDerWaalsContact O-CB 3.3Å; L428-F432 WeakPolarHBondContact O-CB 3.2Å; L428-F432 PolarHBondContact O-N 2.92Å
429	Q	90.1	Very high	88.7	Confident	52 Å²	52	69.6 Å²	69.6	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-47.7	174.2	-67.3	176	25.8	0	0	111.4	V421 N422 G425 E426 F427 F432 K433	V421-Q429 HydrophobicContact CG1-CG 4.19Å; N422-Q429 PolarHBondContact O-NE2 3.38Å; N422-Q429 VanDerWaalsContact O-NE2 3.12Å; G425-Q429 WeakPolarHBondContact O-CG 3.27Å; G425-Q429 PolarHBondContact O-N 3.04Å; G425-Q429 VanDerWaalsContact O-N 3.15Å; E426-Q429 PolarHBondContact O-N 3.37Å; F427-Q429 VanDerWaalsContact C-N 3.34Å; Q429-F432 PolarHBondContact O-N 3.16Å; Q429-K433 WeakPolarHBondContact O-CB 3.2Å; Q429-K433 VanDerWaalsContact O-CG 3.3Å; Q429-K433 WeakPolarHBondContact O-CG 3.09Å; Q429-K433 PolarHBondContact O-N 2.94Å
430	A	90.7	Very high	88.7	Confident	58 Å²	58	64.9 Å²	64.9	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-44.3	178.2	0	0	0	0	0	111.8	E426 F427 F432 K433 F434	E426-A430 WeakPolarHBondContact O-CB 3.28Å; E426-A430 PolarHBondContact O-N 3.29Å; F427-A430 PolarHBondContact O-N 3.07Å; A430-F432 PolarHBondContact O-N 2.76Å; A430-K433 PolarHBondContact O-N 3.34Å; A430-F434 WeakPolarHBondContact O-CB 3.4Å; A430-F434 PolarHBondContact O-N 3.02Å
431	L	91.5	Very high	88.7	Confident	66 Å²	66	64.6 Å²	64.6	35%	0.346	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-43.7	177.3	179.6	62.3	0	0	0	111.8	F427 L428 F434 A435 I456	F427-L431 HydrophobicContact CE1-CD2 4.18Å; F427-L431 HydrophobicContact CZ-CD2 4.43Å; F427-L431 VanDerWaalsContact O-CB 3.31Å; F427-L431 WeakPolarHBondContact O-CB 3.44Å; F427-L431 PolarHBondContact O-N 3.22Å; L428-L431 PolarHBondContact O-N 3.45Å; L431-F434 PolarHBondContact O-N 2.81Å; L431-A435 WeakPolarHBondContact O-CB 3.49Å; L431-A435 PolarHBondContact O-N 3.32Å; L431-I456 HydrophobicContact CD1-CD1 3.99Å; L431-I456 HydrophobicContact CD2-CD1 4.29Å; L431-I456 HydrophobicContact CG-CD1 3.82Å
432	F	92	Very high	88.5	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-46.5	178.3	-174.4	-98.2	0	0	0	111.6	V417 W418 V421 L428 Q429 A430 F434 A435 Y436 I456 F457 V460 F485	V417-F432 HydrophobicContact CG1-CZ 4.16Å; W418-F432 HydrophobicContact CE3-CD1 4.37Å; W418-F432 HydrophobicContact CE3-CE1 4.3Å; W418-F432 AromaticContact CH2-CD1 3.68Å; W418-F432 HydrophobicContact CH2-CD1 3.68Å; W418-F432 AromaticContact CH2-CE1 3.61Å; W418-F432 HydrophobicContact CH2-CE1 3.61Å; W418-F432 HydrophobicContact CZ2-CD1 4.41Å; W418-F432 AromaticContact CZ2-CE1 3.88Å; W418-F432 HydrophobicContact CZ2-CE1 3.88Å; W418-F432 AromaticContact CZ3-CD1 3.65Å; W418-F432 HydrophobicContact CZ3-CD1 3.65Å; W418-F432 AromaticContact CZ3-CE1 3.84Å; W418-F432 HydrophobicContact CZ3-CE1 3.84Å; V421-F432 HydrophobicContact CG1-CB 3.78Å; V421-F432 HydrophobicContact CG1-CD1 3.96Å; V421-F432 HydrophobicContact CG1-CG 3.93Å; V421-F432 HydrophobicContact CG2-CB 4.3Å; V421-F432 HydrophobicContact CG2-CD1 3.95Å; V421-F432 HydrophobicContact CG2-CD2 3.84Å; V421-F432 HydrophobicContact CG2-CE1 4.21Å; V421-F432 HydrophobicContact CG2-CE2 4.13Å; V421-F432 HydrophobicContact CG2-CG 3.74Å; V421-F432 HydrophobicContact CG2-CZ 4.3Å; L428-F432 VanDerWaalsContact O-CB 3.3Å; L428-F432 WeakPolarHBondContact O-CB 3.2Å; L428-F432 PolarHBondContact O-N 2.92Å; Q429-F432 PolarHBondContact O-N 3.16Å; A430-F432 PolarHBondContact O-N 2.76Å; F432-F434 VanDerWaalsContact C-N 3.34Å; F432-F434 PolarHBondContact O-N 3.24Å; F432-A435 PolarHBondContact O-N 3.05Å; F432-Y436 WeakPolarHBondContact O-CB 3.46Å; F432-Y436 PolarHBondContact O-N 3.02Å; F432-I456 HydrophobicContact CD2-CG2 3.89Å; F432-I456 HydrophobicContact CE2-CG2 4.36Å; F432-F457 HydrophobicContact CE2-CE1 4.11Å; F432-F457 HydrophobicContact CZ-CE1 4.43Å; F432-V460 HydrophobicContact CE2-CG2 3.98Å; F432-F485 HydrophobicContact CE1-CE2 4.48Å; F432-F485 HydrophobicContact CZ-CE2 4.36Å
433	K	90.1	Very high	88	Confident	101 Å²	101	66 Å²	66	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.7	-74.5	176.5	179.7	-179.1	0	111.8	W418 Q429 A430 Y436 A437	W418-K433 HydrophobicContact CH2-CG 4.42Å; Q429-K433 WeakPolarHBondContact O-CB 3.2Å; Q429-K433 VanDerWaalsContact O-CG 3.3Å; Q429-K433 WeakPolarHBondContact O-CG 3.09Å; Q429-K433 PolarHBondContact O-N 2.94Å; A430-K433 PolarHBondContact O-N 3.34Å; K433-Y436 PolarHBondContact O-N 3.42Å; K433-A437 WeakPolarHBondContact O-CB 3.01Å; K433-A437 PolarHBondContact O-N 3.3Å
434	F	91.2	Very high	87.1	Confident	119 Å²	119	66.7 Å²	66.7	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-48.1	174.5	172.1	-95.2	0	0	0	111.6	A430 L431 F432 Y436 A437 Y438	A430-F434 WeakPolarHBondContact O-CB 3.4Å; A430-F434 PolarHBondContact O-N 3.02Å; L431-F434 PolarHBondContact O-N 2.81Å; F432-F434 VanDerWaalsContact C-N 3.34Å; F432-F434 PolarHBondContact O-N 3.24Å; F434-Y436 PolarHBondContact O-N 2.98Å; F434-A437 PolarHBondContact O-N 2.69Å; F434-Y438 WeakPolarHBondContact O-CB 3.41Å; F434-Y438 PolarHBondContact O-N 3.4Å
435	A	90.8	Very high	86.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-39	-178.8	0	0	0	0	0	112.8	L431 F432 K439 V452 I456 F457	L431-A435 WeakPolarHBondContact O-CB 3.49Å; L431-A435 PolarHBondContact O-N 3.32Å; F432-A435 PolarHBondContact O-N 3.05Å; A435-K439 VanDerWaalsContact O-CB 3.32Å; A435-K439 WeakPolarHBondContact O-CB 3.48Å; A435-K439 PolarHBondContact O-N 3.29Å; A435-V452 HydrophobicContact CB-CB 4.25Å; A435-V452 HydrophobicContact CB-CG1 3.82Å; A435-I456 HydrophobicContact CB-CB 4.47Å; A435-I456 HydrophobicContact CB-CD1 3.32Å; A435-I456 HydrophobicContact CB-CG1 4.47Å; A435-I456 HydrophobicContact CB-CG2 4.3Å; A435-F457 HydrophobicContact CB-CE2 4.28Å; A435-F457 HydrophobicContact CB-CZ 4.29Å
436	Y	90.4	Very high	85.7	Confident	27 Å²	27	68.4 Å²	68.4	11%	0.106	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-57.5	172.7	-172.8	-90.7	0	0	0	110.9	F432 K433 F434 Y438 K439 C440 F485 I488	F432-Y436 WeakPolarHBondContact O-CB 3.46Å; F432-Y436 PolarHBondContact O-N 3.02Å; K433-Y436 PolarHBondContact O-N 3.42Å; F434-Y436 PolarHBondContact O-N 2.98Å; Y436-Y438 VanDerWaalsContact C-N 3.3Å; Y436-Y438 PolarHBondContact O-N 3.1Å; Y436-K439 PolarHBondContact O-N 3.05Å; Y436-K439 VanDerWaalsContact O-N 3.12Å; Y436-C440 PolarHBondContact O-N 3.48Å; Y436-C440 PolarHBondContact O-SG 3.27Å; Y436-F485 AromaticContact CE2-CD2 3.85Å; Y436-F485 HydrophobicContact CE2-CD2 3.85Å; Y436-F485 WeakPolarHBondContact OH-CA 3.18Å; Y436-F485 PolarHBondContact OH-N 3.04Å; Y436-I488 HydrophobicContact CD2-CB 4.3Å; Y436-I488 HydrophobicContact CD2-CG2 3.57Å; Y436-I488 HydrophobicContact CE2-CB 3.9Å; Y436-I488 HydrophobicContact CE2-CG1 4.34Å; Y436-I488 HydrophobicContact CE2-CG2 3.7Å; Y436-I488 HydrophobicContact CG-CG2 4.31Å
437	A	88	Confident	85	Confident	49 Å²	49	66 Å²	66	41%	0.405	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-36.6	179.2	0	0	0	0	0	112.9	K433 F434 R441	K433-A437 WeakPolarHBondContact O-CB 3.01Å; K433-A437 PolarHBondContact O-N 3.3Å; F434-A437 PolarHBondContact O-N 2.69Å; A437-R441 WeakPolarHBondContact O-CG 3.36Å; A437-R441 PolarHBondContact O-N 3.09Å; A437-R441 PolarHBondContact O-NE 2.95Å
438	Y	88.2	Confident	84.2	Confident	72 Å²	72	61 Å²	61	28%	0.282	33%	0.327	S	S	.	.	H	α-helix	trans	-63.6	-46.1	174.2	176.8	-95.7	0	0	0	111.7	F434 Y436 R441 R442 V452	F434-Y438 WeakPolarHBondContact O-CB 3.41Å; F434-Y438 PolarHBondContact O-N 3.4Å; Y436-Y438 VanDerWaalsContact C-N 3.3Å; Y436-Y438 PolarHBondContact O-N 3.1Å; Y438-R441 PolarHBondContact O-N 3.32Å; Y438-R442 HydrophobicContact CD1-CG 4.19Å; Y438-R442 HydrophobicContact CE1-CG 3.73Å; Y438-R442 HydrophobicContact CE2-CG 4.2Å; Y438-R442 WeakPolarHBondContact O-CG 3.38Å; Y438-R442 PolarHBondContact O-N 3.12Å; Y438-R442 VanDerWaalsContact O-N 3.07Å; Y438-V452 HydrophobicContact CD1-CG1 4.08Å; Y438-V452 HydrophobicContact CD1-CG2 3.66Å; Y438-V452 HydrophobicContact CE1-CG2 3.93Å
439	K	87.9	Confident	84	Confident	5 Å²	5	57.9 Å²	57.9	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-39.9	179.4	-176.1	164.1	179.2	178.9	0	112	A435 Y436 R441 R442 I443 S449 D453 F457 I488	A435-K439 VanDerWaalsContact O-CB 3.32Å; A435-K439 WeakPolarHBondContact O-CB 3.48Å; A435-K439 PolarHBondContact O-N 3.29Å; Y436-K439 PolarHBondContact O-N 3.05Å; Y436-K439 VanDerWaalsContact O-N 3.12Å; K439-R441 VanDerWaalsContact C-N 3.33Å; K439-R441 PolarHBondContact O-N 3.47Å; K439-R442 PolarHBondContact O-N 3.29Å; K439-I443 HydrophobicContact CG-CD1 4.11Å; K439-I443 HydrophobicContact CG-CG1 4.19Å; K439-I443 WeakPolarHBondContact O-CG1 3.39Å; K439-I443 PolarHBondContact O-N 2.97Å; K439-S449 WeakPolarHBondContact CD-OG 3.31Å; K439-S449 WeakPolarHBondContact CE-OG 3.39Å; K439-S449 WeakPolarHBondContact CG-OG 3.21Å; K439-D453 WeakPolarHBondContact CE-OD1 3.4Å; K439-D453 IonicContact NZ-OD1 3.89Å; K439-D453 PolarHBondContact NZ-OD1 2.92Å; K439-D453 IonicContact NZ-OD2 3.14Å; K439-F457 HydrophobicContact CB-CE2 3.84Å; K439-F457 HydrophobicContact CB-CZ 4.27Å; K439-F457 HydrophobicContact CD-CD2 3.63Å; K439-F457 HydrophobicContact CD-CE2 3.43Å; K439-F457 VanDerWaalsContact CD-CE2 3.43Å; K439-F457 HydrophobicContact CD-CG 4.42Å; K439-F457 HydrophobicContact CD-CZ 4.09Å; K439-F457 HydrophobicContact CG-CE2 4.27Å; K439-I488 HydrophobicContact CB-CD1 4.41Å; K439-I488 HydrophobicContact CB-CG2 4.09Å; K439-I488 HydrophobicContact CD-CG2 3.92Å; K439-I488 WeakPolarHBondContact CE-O 3.31Å; K439-I488 HydrophobicContact CG-CD1 3.95Å; K439-I488 HydrophobicContact CG-CG2 4.03Å; K439-I488 PolarHBondContact NZ-O 3.28Å
440	C	84.9	Confident	83.6	Confident	9 Å²	9	62.8 Å²	62.8	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-53.7	-51	173.1	-66.9	0	0	0	0	110.9	Y436 R442 I443 H444 I488	Y436-C440 PolarHBondContact O-N 3.48Å; Y436-C440 PolarHBondContact O-SG 3.27Å; C440-R442 VanDerWaalsContact C-N 3.35Å; C440-R442 PolarHBondContact O-N 3.35Å; C440-I443 PolarHBondContact O-N 2.76Å; C440-H444 PolarHBondContact O-N 2.84Å; C440-H444 VanDerWaalsContact O-N 3.14Å; C440-H444 PolarHBondContact O-ND1 2.56Å; C440-I488 HydrophobicContact CB-CD1 4.21Å; C440-I488 VanDerWaalsContact SG-CD1 3.52Å
441	R	82.9	Confident	83.3	Confident	132 Å²	132	66.2 Å²	66.2	50%	0.498	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-40.2	178.3	-73.2	-174.9	-69	165.2	-2.8	113.4	W12 A437 Y438 K439 G445	W12-R441 HydrophobicContact CH2-CG 3.74Å; W12-R441 HydrophobicContact CZ2-CG 3.77Å; A437-R441 WeakPolarHBondContact O-CG 3.36Å; A437-R441 PolarHBondContact O-N 3.09Å; A437-R441 PolarHBondContact O-NE 2.95Å; Y438-R441 PolarHBondContact O-N 3.32Å; K439-R441 VanDerWaalsContact C-N 3.33Å; K439-R441 PolarHBondContact O-N 3.47Å; R441-G445 PolarHBondContact O-N 2.87Å; R441-G445 VanDerWaalsContact O-N 3.16Å
442	R	82.3	Confident	83.1	Confident	77 Å²	77	63.8 Å²	63.8	29%	0.291	33%	0.329	S	S	.	.	H	α-helix	trans	-68.5	-45.9	-179.2	-72.4	-71.7	-70.2	-176.7	-6.6	112	Y438 K439 C440 G445 G446 F447 P448	Y438-R442 HydrophobicContact CD1-CG 4.19Å; Y438-R442 HydrophobicContact CE1-CG 3.73Å; Y438-R442 HydrophobicContact CE2-CG 4.2Å; Y438-R442 WeakPolarHBondContact O-CG 3.38Å; Y438-R442 PolarHBondContact O-N 3.12Å; Y438-R442 VanDerWaalsContact O-N 3.07Å; K439-R442 PolarHBondContact O-N 3.29Å; C440-R442 VanDerWaalsContact C-N 3.35Å; C440-R442 PolarHBondContact O-N 3.35Å; R442-G445 CarbonylContact O-C 3.56Å; R442-G445 PolarHBondContact O-N 2.77Å; R442-G446 PolarHBondContact O-N 2.82Å; R442-F447 CarbonylContact C-O 3.4Å; R442-F447 VanDerWaalsContact C-O 3.26Å; R442-F447 WeakPolarHBondContact CB-O 3.45Å; R442-F447 PolarHBondContact O-N 3.38Å; R442-F447 VanDerWaalsContact O-O 3.05Å; R442-P448 PolarHBondContact NE-O 3.45Å; R442-P448 PolarHBondContact NH2-O 3.22Å
443	I	76.9	Confident	82.8	Confident	42 Å²	42	65.6 Å²	65.6	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-46.4	179.8	-73.4	-164.9	0	0	0	111.3	K439 C440 G445 G446 I488 L514	K439-I443 HydrophobicContact CG-CD1 4.11Å; K439-I443 HydrophobicContact CG-CG1 4.19Å; K439-I443 WeakPolarHBondContact O-CG1 3.39Å; K439-I443 PolarHBondContact O-N 2.97Å; C440-I443 PolarHBondContact O-N 2.76Å; I443-G445 VanDerWaalsContact C-N 3.27Å; I443-G445 PolarHBondContact O-N 2.76Å; I443-G446 PolarHBondContact O-N 3.07Å; I443-I488 HydrophobicContact CD1-CD1 3.89Å; I443-I488 HydrophobicContact CG1-CD1 4.49Å; I443-L514 HydrophobicContact CG2-CD1 3.21Å; I443-L514 HydrophobicContact CG2-CG 4.49Å
444	H	69.7	Low	82.6	Confident	102 Å²	102	69.8 Å²	69.8	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-35	177.3	-73.8	86.2	0	0	0	112.3	C440 G446	C440-H444 PolarHBondContact O-N 2.84Å; C440-H444 VanDerWaalsContact O-N 3.14Å; C440-H444 PolarHBondContact O-ND1 2.56Å; H444-G446 PolarHBondContact O-N 3.32Å
445	G	71.8	Confident	82.3	Confident	45 Å²	45	69.9 Å²	69.9	46%	0.464	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.5	172	0	0	0	0	0	115	R441 R442 I443 F447	R441-G445 PolarHBondContact O-N 2.87Å; R441-G445 VanDerWaalsContact O-N 3.16Å; R442-G445 CarbonylContact O-C 3.56Å; R442-G445 PolarHBondContact O-N 2.77Å; I443-G445 VanDerWaalsContact C-N 3.27Å; I443-G445 PolarHBondContact O-N 2.76Å; G445-F447 VanDerWaalsContact C-N 3.3Å; G445-F447 WeakPolarHBondContact O-CD2 3.22Å; G445-F447 WeakPolarHBondContact O-CE2 3.42Å; G445-F447 PolarHBondContact O-N 2.93Å
446	G	71.7	Confident	82.2	Confident	68 Å²	68	71.1 Å²	71.1	70%	0.701	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	14.6	-178.1	0	0	0	0	0	114.7	R442 I443 H444	R442-G446 PolarHBondContact O-N 2.82Å; I443-G446 PolarHBondContact O-N 3.07Å; H444-G446 PolarHBondContact O-N 3.32Å
447	F	74.9	Confident	82.1	Confident	119 Å²	119	69.9 Å²	69.9	52%	0.522	36%	0.359	S	S	.	.			trans	-108.6	143.6	-175.5	-64.5	-77.5	0	0	0	113.7	R442 G445	R442-F447 CarbonylContact C-O 3.4Å; R442-F447 VanDerWaalsContact C-O 3.26Å; R442-F447 WeakPolarHBondContact CB-O 3.45Å; R442-F447 PolarHBondContact O-N 3.38Å; R442-F447 VanDerWaalsContact O-O 3.05Å; G445-F447 VanDerWaalsContact C-N 3.3Å; G445-F447 WeakPolarHBondContact O-CD2 3.22Å; G445-F447 WeakPolarHBondContact O-CE2 3.42Å; G445-F447 PolarHBondContact O-N 2.93Å
448	P	75.4	Confident	82.2	Confident	61 Å²	61	75.8 Å²	75.8	40%	0.396	37%	0.371	S	S	.	.			trans	-71.7	158	175.6	29.8	-35.6	0	0	0	112.9	R442 F450	R442-P448 PolarHBondContact NE-O 3.45Å; R442-P448 PolarHBondContact NH2-O 3.22Å; P448-F450 HydrophobicContact CB-CD1 4.44Å; P448-F450 HydrophobicContact CB-CD2 4.09Å; P448-F450 HydrophobicContact CB-CE1 3.98Å; P448-F450 HydrophobicContact CB-CE2 3.61Å; P448-F450 HydrophobicContact CB-CG 4.48Å; P448-F450 HydrophobicContact CB-CZ 3.54Å; P448-F450 HydrophobicContact CG-CD2 3.98Å; P448-F450 HydrophobicContact CG-CE1 4.41Å; P448-F450 HydrophobicContact CG-CE2 3.23Å; P448-F450 HydrophobicContact CG-CZ 3.49Å; P448-F450 VanDerWaalsContact CG-CZ 3.49Å
449	S	82	Confident	82.1	Confident	5 Å²	5	79.8 Å²	79.8	4%	0.035	39%	0.39	C	S	.	.			trans	-117	44.5	-176.2	53.7	0	0	0	0	113.9	K439 L451 V452 D453	K439-S449 WeakPolarHBondContact CD-OG 3.31Å; K439-S449 WeakPolarHBondContact CE-OG 3.39Å; K439-S449 WeakPolarHBondContact CG-OG 3.21Å; S449-L451 VanDerWaalsContact C-N 3.35Å; S449-L451 PolarHBondContact O-N 2.87Å; S449-L451 VanDerWaalsContact O-N 3.09Å; S449-V452 VanDerWaalsContact O-CG2 3.28Å; S449-V452 WeakPolarHBondContact O-CG2 3.3Å; S449-V452 PolarHBondContact O-N 3.03Å; S449-D453 WeakPolarHBondContact O-CB 3.5Å; S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.3Å; S449-D453 VanDerWaalsContact OG-CG 3.27Å; S449-D453 PolarHBondContact OG-OD1 2.99Å; S449-D453 PolarHBondContact OG-OD2 3.41Å
450	F	82.8	Confident	82.1	Confident	155 Å²	155	80.2 Å²	80.2	68%	0.68	39%	0.393	S	S	*	.	H	α-helix	trans	-49	-43.2	-168.4	-60.3	-64.6	0	0	0	116.2	P448 R454	P448-F450 HydrophobicContact CB-CD1 4.44Å; P448-F450 HydrophobicContact CB-CD2 4.09Å; P448-F450 HydrophobicContact CB-CE1 3.98Å; P448-F450 HydrophobicContact CB-CE2 3.61Å; P448-F450 HydrophobicContact CB-CG 4.48Å; P448-F450 HydrophobicContact CB-CZ 3.54Å; P448-F450 HydrophobicContact CG-CD2 3.98Å; P448-F450 HydrophobicContact CG-CE1 4.41Å; P448-F450 HydrophobicContact CG-CE2 3.23Å; P448-F450 HydrophobicContact CG-CZ 3.49Å; P448-F450 VanDerWaalsContact CG-CZ 3.49Å; F450-R454 VanDerWaalsContact O-CB 3.3Å; F450-R454 WeakPolarHBondContact O-CB 3.04Å; F450-R454 PolarHBondContact O-N 2.77Å
451	L	84.8	Confident	82.4	Confident	131 Å²	131	82.7 Å²	82.7	69%	0.686	40%	0.401	S	S	*	.	H	α-helix	trans	-67.7	-53.5	-176.1	-69.3	174.2	0	0	0	112.1	S449 D453 R454 L455	S449-L451 VanDerWaalsContact C-N 3.35Å; S449-L451 PolarHBondContact O-N 2.87Å; S449-L451 VanDerWaalsContact O-N 3.09Å; L451-D453 VanDerWaalsContact C-N 3.29Å; L451-D453 PolarHBondContact O-N 3.1Å; L451-R454 PolarHBondContact O-N 2.76Å; L451-L455 WeakPolarHBondContact O-CB 3.38Å; L451-L455 VanDerWaalsContact O-CG 3.28Å; L451-L455 WeakPolarHBondContact O-CG 3.04Å; L451-L455 PolarHBondContact O-N 3.24Å
452	V	86.1	Confident	82.7	Confident	15 Å²	15	79.4 Å²	79.4	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-67.9	-31.6	177.7	-77	0	0	0	0	111.9	A435 Y438 S449 I456 F457	A435-V452 HydrophobicContact CB-CB 4.25Å; A435-V452 HydrophobicContact CB-CG1 3.82Å; Y438-V452 HydrophobicContact CD1-CG1 4.08Å; Y438-V452 HydrophobicContact CD1-CG2 3.66Å; Y438-V452 HydrophobicContact CE1-CG2 3.93Å; S449-V452 VanDerWaalsContact O-CG2 3.28Å; S449-V452 WeakPolarHBondContact O-CG2 3.3Å; S449-V452 PolarHBondContact O-N 3.03Å; V452-I456 HydrophobicContact CG1-CD1 4.42Å; V452-I456 WeakPolarHBondContact O-CA 3.39Å; V452-I456 WeakPolarHBondContact O-CB 3.37Å; V452-I456 PolarHBondContact O-N 2.6Å; V452-F457 HydrophobicContact CB-CD2 4.35Å; V452-F457 HydrophobicContact CB-CE2 4.19Å; V452-F457 HydrophobicContact CG2-CD2 4.49Å; V452-F457 HydrophobicContact CG2-CE2 4.26Å; V452-F457 PolarHBondContact O-N 3.25Å; V452-F457 VanDerWaalsContact O-N 3.09Å
453	D	85.1	Confident	82.8	Confident	43 Å²	43	78.7 Å²	78.7	23%	0.23	40%	0.399	C	S	.	.	I	π-helix	trans	-61.8	-46.2	173.4	-73.8	-34.8	0	0	0	111.5	K439 S449 L451 R458	K439-D453 WeakPolarHBondContact CE-OD1 3.4Å; K439-D453 IonicContact NZ-OD1 3.89Å; K439-D453 PolarHBondContact NZ-OD1 2.92Å; K439-D453 IonicContact NZ-OD2 3.14Å; S449-D453 WeakPolarHBondContact O-CB 3.5Å; S449-D453 VanDerWaalsContact O-CG 3.23Å; S449-D453 PolarHBondContact O-N 3.3Å; S449-D453 VanDerWaalsContact OG-CG 3.27Å; S449-D453 PolarHBondContact OG-OD1 2.99Å; S449-D453 PolarHBondContact OG-OD2 3.41Å; L451-D453 VanDerWaalsContact C-N 3.29Å; L451-D453 PolarHBondContact O-N 3.1Å; D453-R458 VanDerWaalsContact O-CB 3.29Å; D453-R458 WeakPolarHBondContact O-CB 3.47Å; D453-R458 PolarHBondContact O-N 2.86Å
454	R	86.5	Confident	83.3	Confident	190 Å²	190	77 Å²	77	72%	0.717	39%	0.391	S	S	*	.	I	π-helix	trans	-69.1	-40.6	179.9	-175.7	173.6	177.3	148	-1.8	112.6	F450 L451	F450-R454 VanDerWaalsContact O-CB 3.3Å; F450-R454 WeakPolarHBondContact O-CB 3.04Å; F450-R454 PolarHBondContact O-N 2.77Å; L451-R454 PolarHBondContact O-N 2.76Å
455	L	86.1	Confident	84.4	Confident	120 Å²	120	72.4 Å²	72.4	63%	0.628	37%	0.371	S	S	*	.	I	π-helix	trans	-86.5	-36.3	-171.4	-64.9	174.8	0	0	0	113.4	L451	L451-L455 WeakPolarHBondContact O-CB 3.38Å; L451-L455 VanDerWaalsContact O-CG 3.28Å; L451-L455 WeakPolarHBondContact O-CG 3.04Å; L451-L455 PolarHBondContact O-N 3.24Å
456	I	88	Confident	85.3	Confident	27 Å²	27	72 Å²	72	14%	0.138	37%	0.367	C	S	.	.	I	π-helix	trans	-119.2	-62.3	-169.1	-61.6	169.3	0	0	0	110.5	L431 F432 A435 V452 R458 K459	L431-I456 HydrophobicContact CD1-CD1 3.99Å; L431-I456 HydrophobicContact CD2-CD1 4.29Å; L431-I456 HydrophobicContact CG-CD1 3.82Å; F432-I456 HydrophobicContact CD2-CG2 3.89Å; F432-I456 HydrophobicContact CE2-CG2 4.36Å; A435-I456 HydrophobicContact CB-CB 4.47Å; A435-I456 HydrophobicContact CB-CD1 3.32Å; A435-I456 HydrophobicContact CB-CG1 4.47Å; A435-I456 HydrophobicContact CB-CG2 4.3Å; V452-I456 HydrophobicContact CG1-CD1 4.42Å; V452-I456 WeakPolarHBondContact O-CA 3.39Å; V452-I456 WeakPolarHBondContact O-CB 3.37Å; V452-I456 PolarHBondContact O-N 2.6Å; I456-R458 VanDerWaalsContact C-N 3.27Å; I456-R458 PolarHBondContact O-N 2.86Å; I456-K459 PolarHBondContact O-N 2.88Å; I456-K459 VanDerWaalsContact O-N 3.13Å
457	F	89	Confident	86.4	Confident	1 Å²	1	72.1 Å²	72.1	0%	0.004	35%	0.346	C	S	.	.	I	π-helix	trans	-69.8	-22	-172	-62.2	-67	0	0	0	113.8	F432 A435 K439 V452 K459 V460 R461 I488 C489	F432-F457 HydrophobicContact CE2-CE1 4.11Å; F432-F457 HydrophobicContact CZ-CE1 4.43Å; A435-F457 HydrophobicContact CB-CE2 4.28Å; A435-F457 HydrophobicContact CB-CZ 4.29Å; K439-F457 HydrophobicContact CB-CE2 3.84Å; K439-F457 HydrophobicContact CB-CZ 4.27Å; K439-F457 HydrophobicContact CD-CD2 3.63Å; K439-F457 HydrophobicContact CD-CE2 3.43Å; K439-F457 VanDerWaalsContact CD-CE2 3.43Å; K439-F457 HydrophobicContact CD-CG 4.42Å; K439-F457 HydrophobicContact CD-CZ 4.09Å; K439-F457 HydrophobicContact CG-CE2 4.27Å; V452-F457 HydrophobicContact CB-CD2 4.35Å; V452-F457 HydrophobicContact CB-CE2 4.19Å; V452-F457 HydrophobicContact CG2-CD2 4.49Å; V452-F457 HydrophobicContact CG2-CE2 4.26Å; V452-F457 PolarHBondContact O-N 3.25Å; V452-F457 VanDerWaalsContact O-N 3.09Å; F457-K459 PolarHBondContact O-N 3.31Å; F457-V460 PolarHBondContact O-N 3.15Å; F457-V460 VanDerWaalsContact O-N 3.08Å; F457-R461 WeakPolarHBondContact O-CB 3.48Å; F457-R461 VanDerWaalsContact O-CG 3.32Å; F457-R461 WeakPolarHBondContact O-CG 3.37Å; F457-R461 PolarHBondContact O-N 2.94Å; F457-I488 HydrophobicContact CE1-CG2 4.1Å; F457-I488 HydrophobicContact CZ-CG2 3.91Å; F457-C489 HydrophobicContact CD1-CB 4.29Å; F457-C489 HydrophobicContact CE1-CB 4.41Å
458	R	88.4	Confident	87.3	Confident	172 Å²	172	67 Å²	67	65%	0.649	33%	0.325	S	S	*	.	H	α-helix	trans	-56.6	-38.5	171.9	-175.5	174.4	-179.9	165.7	0.3	112.2	D453 I456 S462	D453-R458 VanDerWaalsContact O-CB 3.29Å; D453-R458 WeakPolarHBondContact O-CB 3.47Å; D453-R458 PolarHBondContact O-N 2.86Å; I456-R458 VanDerWaalsContact C-N 3.27Å; I456-R458 PolarHBondContact O-N 2.86Å; R458-S462 PolarHBondContact O-N 3.26Å; R458-S462 PolarHBondContact O-OG 3.43Å
459	K	86.8	Confident	88.1	Confident	157 Å²	157	66 Å²	66	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-73.2	-29.9	177.1	-65.9	-178.9	178.5	178.3	0	112.6	I456 F457 S462	I456-K459 PolarHBondContact O-N 2.88Å; I456-K459 VanDerWaalsContact O-N 3.13Å; F457-K459 PolarHBondContact O-N 3.31Å; K459-S462 WeakPolarHBondContact CA-OG 3.19Å; K459-S462 PolarHBondContact O-OG 3.46Å
460	V	88.3	Confident	88.5	Confident	14 Å²	14	68.1 Å²	68.1	9%	0.085	32%	0.32	C	S	.	.	H	α-helix	trans	-74.1	-49.3	175.3	-179.1	0	0	0	0	109.8	V417 F432 F457 S462 L463 C489	V417-V460 HydrophobicContact CG1-CG1 3.86Å; V417-V460 HydrophobicContact CG1-CG2 4.28Å; V417-V460 HydrophobicContact CG2-CG1 3.77Å; F432-V460 HydrophobicContact CE2-CG2 3.98Å; F457-V460 PolarHBondContact O-N 3.15Å; F457-V460 VanDerWaalsContact O-N 3.08Å; V460-S462 PolarHBondContact O-N 2.78Å; V460-L463 VanDerWaalsContact O-CB 3.26Å; V460-L463 WeakPolarHBondContact O-CB 3.48Å; V460-L463 WeakPolarHBondContact O-CG 3.49Å; V460-L463 PolarHBondContact O-N 3.4Å; V460-C489 HydrophobicContact CG1-CB 4Å
461	R	90.8	Very high	89.1	Confident	61 Å²	61	60.8 Å²	60.8	23%	0.23	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-32.3	176.7	-70.1	-177.9	-179.4	-123.2	-5.6	112.7	F457 L463 M464 G465 G466 C489 I490	F457-R461 WeakPolarHBondContact O-CB 3.48Å; F457-R461 VanDerWaalsContact O-CG 3.32Å; F457-R461 WeakPolarHBondContact O-CG 3.37Å; F457-R461 PolarHBondContact O-N 2.94Å; R461-L463 PolarHBondContact O-N 2.9Å; R461-M464 CarbonylContact O-C 3.41Å; R461-M464 VanDerWaalsContact O-C 3.32Å; R461-M464 WeakPolarHBondContact O-CA 3.28Å; R461-M464 PolarHBondContact O-N 2.7Å; R461-G465 PolarHBondContact O-N 3.21Å; R461-G466 WeakPolarHBondContact O-CA 3.5Å; R461-G466 PolarHBondContact O-N 3.03Å; R461-C489 WeakPolarHBondContact CG-O 3.44Å; R461-C489 PolarHBondContact NE-O 2.58Å; R461-I490 WeakPolarHBondContact CD-O 3.44Å; R461-I490 VanDerWaalsContact CZ-C 3.46Å; R461-I490 PolarHBondContact NE-O 2.87Å; R461-I490 VanDerWaalsContact NE-O 3.14Å; R461-I490 PolarHBondContact NH1-O 2.76Å; R461-I490 PolarHBondContact NH2-O 2.79Å
462	S	88.9	Confident	89.5	Confident	63 Å²	63	55.8 Å²	55.8	44%	0.441	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-63.9	-24	177.1	59.3	0	0	0	0	113.5	R458 K459 V460 M464 G465	R458-S462 PolarHBondContact O-N 3.26Å; R458-S462 PolarHBondContact O-OG 3.43Å; K459-S462 WeakPolarHBondContact CA-OG 3.19Å; K459-S462 PolarHBondContact O-OG 3.46Å; V460-S462 PolarHBondContact O-N 2.78Å; S462-M464 PolarHBondContact O-N 2.68Å; S462-G465 PolarHBondContact O-N 3.16Å
463	L	84.3	Confident	89.8	Confident	61 Å²	61	55.1 Å²	55.1	32%	0.319	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-63.5	-23.2	171	-60.7	172.4	0	0	0	112	V417 V460 R461	V417-L463 HydrophobicContact CG2-CD1 3.83Å; V460-L463 VanDerWaalsContact O-CB 3.26Å; V460-L463 WeakPolarHBondContact O-CB 3.48Å; V460-L463 WeakPolarHBondContact O-CG 3.49Å; V460-L463 PolarHBondContact O-N 3.4Å; R461-L463 PolarHBondContact O-N 2.9Å
464	M	88.7	Confident	89.8	Confident	7 Å²	7	53.4 Å²	53.4	3%	0.034	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-109.2	33.3	172.6	-61.1	-163.8	75	0	0	112.7	V395 F403 I413 R461 S462 G466 I468 I490	V395-M464 HydrophobicContact CG1-CB 4.16Å; F403-M464 HydrophobicContact CD1-CE 4.2Å; F403-M464 HydrophobicContact CD2-CE 3.91Å; F403-M464 HydrophobicContact CE1-CE 3.97Å; F403-M464 HydrophobicContact CE2-CE 3.68Å; F403-M464 HydrophobicContact CG-CE 4.19Å; F403-M464 HydrophobicContact CZ-CE 3.72Å; I413-M464 HydrophobicContact CD1-CE 3.62Å; I413-M464 HydrophobicContact CD1-SD 3.83Å; I413-M464 HydrophobicContact CG2-CG 4.34Å; I413-M464 HydrophobicContact CG2-SD 3.94Å; R461-M464 CarbonylContact O-C 3.41Å; R461-M464 VanDerWaalsContact O-C 3.32Å; R461-M464 WeakPolarHBondContact O-CA 3.28Å; R461-M464 PolarHBondContact O-N 2.7Å; S462-M464 PolarHBondContact O-N 2.68Å; M464-G466 PolarHBondContact O-N 2.81Å; M464-G466 VanDerWaalsContact O-N 3.1Å; M464-I468 HydrophobicContact CB-CD1 3.6Å; M464-I468 HydrophobicContact CB-CG1 4.48Å; M464-I468 HydrophobicContact CE-CD1 3.55Å; M464-I468 HydrophobicContact CG-CD1 4.44Å; M464-I468 HydrophobicContact SD-CD1 4.08Å; M464-I490 HydrophobicContact CB-CG2 4.43Å; M464-I490 HydrophobicContact CG-CG2 4.29Å; M464-I490 HydrophobicContact SD-CB 4.43Å; M464-I490 HydrophobicContact SD-CD1 3.65Å; M464-I490 HydrophobicContact SD-CG1 4.39Å; M464-I490 HydrophobicContact SD-CG2 3.31Å; M464-I490 WeakPolarHBondContact SD-CG2 3.42Å
465	G	91	Very high	89.4	Confident	5 Å²	5	45.7 Å²	45.7	5%	0.052	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-9.1	177.2	0	0	0	0	0	115.2	V395 R399 R461 S462 R467	V395-G465 WeakPolarHBondContact O-CA 3.33Å; R399-G465 PolarHBondContact NE-O 3.46Å; R461-G465 PolarHBondContact O-N 3.21Å; S462-G465 PolarHBondContact O-N 3.16Å; G465-R467 VanDerWaalsContact C-N 3.3Å; G465-R467 PolarHBondContact O-N 2.94Å
466	G	91.8	Very high	89	Confident	38 Å²	38	41.5 Å²	41.5	39%	0.392	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	5.3	168.8	0	0	0	0	0	116.1	R461 M464	R461-G466 WeakPolarHBondContact O-CA 3.5Å; R461-G466 PolarHBondContact O-N 3.03Å; M464-G466 PolarHBondContact O-N 2.81Å; M464-G466 VanDerWaalsContact O-N 3.1Å
467	R	94.1	Very high	88.4	Confident	70 Å²	70	45.4 Å²	45.4	26%	0.264	24%	0.241	S	C	.	.			trans	-125.8	3.3	-176.6	-53.1	-165.7	-44.4	160.9	13.9	114.8	R399 P400 T401 G465 R469	R399-R467 HydrophobicContact CB-CG 4.35Å; R399-R467 VanDerWaalsContact O-CZ 3.27Å; R399-R467 PolarHBondContact O-NE 2.96Å; R399-R467 PolarHBondContact O-NH2 2.88Å; P400-R467 CarbonylContact O-C 3.58Å; T401-R467 WeakPolarHBondContact CA-O 3.39Å; T401-R467 HydrophobicContact CG2-CB 4.16Å; G465-R467 VanDerWaalsContact C-N 3.3Å; G465-R467 PolarHBondContact O-N 2.94Å; R467-R469 PolarHBondContact O-N 2.76Å; R467-R469 VanDerWaalsContact O-N 3.16Å
468	I	94.8	Very high	87.9	Confident	12 Å²	12	46 Å²	46	6%	0.062	24%	0.244	C	C	.	.			trans	-57.4	123.8	179	-59.9	-176.8	0	0	0	109.5	P400 F403 M464 I471 A491	P400-I468 WeakPolarHBondContact O-CG1 3.47Å; P400-I468 PolarHBondContact O-N 2.77Å; F403-I468 HydrophobicContact CB-CD1 4.11Å; F403-I468 HydrophobicContact CB-CG2 4.4Å; F403-I468 HydrophobicContact CD2-CD1 3.95Å; F403-I468 HydrophobicContact CG-CD1 4.18Å; M464-I468 HydrophobicContact CB-CD1 3.6Å; M464-I468 HydrophobicContact CB-CG1 4.48Å; M464-I468 HydrophobicContact CE-CD1 3.55Å; M464-I468 HydrophobicContact CG-CD1 4.44Å; M464-I468 HydrophobicContact SD-CD1 4.08Å; I468-I471 HydrophobicContact CG2-CD1 4.3Å; I468-I471 HydrophobicContact CG2-CG1 3.72Å; I468-A491 HydrophobicContact CB-CB 4.07Å; I468-A491 HydrophobicContact CG2-CB 3.51Å
469	R	92	Very high	87.3	Confident	40 Å²	40	39.9 Å²	39.9	15%	0.151	23%	0.228	C	C	.	.			trans	-93.4	-44.1	174.8	-69.9	175.6	56	-155.5	-1.8	110.6	D344 T401 R467 P492	D344-R469 IonicContact OD1-CZ 3.75Å; D344-R469 IonicContact OD1-NH1 3.92Å; D344-R469 PolarHBondContact OD1-NH1 2.86Å; D344-R469 IonicContact OD2-CZ 2.91Å; D344-R469 IonicContact OD2-NH1 3.81Å; D344-R469 PolarHBondContact OD2-NH1 3.18Å; T401-R469 PolarHBondContact O-N 3.42Å; R467-R469 PolarHBondContact O-N 2.76Å; R467-R469 VanDerWaalsContact O-N 3.16Å; R469-P492 WeakPolarHBondContact O-CD 3.44Å
470	Y	90.7	Very high	86.9	Confident	49 Å²	49	36 Å²	36	19%	0.192	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.6	-175.8	-50.5	-75.2	0	0	0	111	P337 T401 L402 F403 C511	P337-Y470 HydrophobicContact CB-CD2 4.2Å; P337-Y470 HydrophobicContact CB-CE1 4.18Å; P337-Y470 HydrophobicContact CB-CE2 3.55Å; P337-Y470 HydrophobicContact CG-CD1 3.86Å; P337-Y470 HydrophobicContact CG-CD2 3.26Å; P337-Y470 HydrophobicContact CG-CE1 3.77Å; P337-Y470 HydrophobicContact CG-CE2 3.13Å; P337-Y470 HydrophobicContact CG-CG 3.61Å; P337-Y470 VanDerWaalsContact CG-CZ 3.41Å; T401-Y470 PolarHBondContact O-N 3.43Å; L402-Y470 HydrophobicContact CD2-CD2 4.17Å; F403-Y470 PolarHBondContact N-O 3.33Å; Y470-C511 WeakPolarHBondContact CE1-SG 3.09Å
471	I	94.1	Very high	86.4	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.8	172	-63.9	169.2	0	0	0	107.3	F403 L410 I468 T486 I490 A491 P492 I493 V494	F403-I471 HydrophobicContact CB-CG1 4.22Å; F403-I471 CarbonylContact O-C 3.4Å; F403-I471 WeakPolarHBondContact O-CA 3.41Å; L410-I471 HydrophobicContact CD2-CD1 4.47Å; L410-I471 HydrophobicContact CD2-CG2 4.24Å; I468-I471 HydrophobicContact CG2-CD1 4.3Å; I468-I471 HydrophobicContact CG2-CG1 3.72Å; I471-T486 HydrophobicContact CD1-CG2 3.44Å; I471-T486 VanDerWaalsContact CD1-CG2 3.44Å; I471-I490 HydrophobicContact CD1-CG2 3.87Å; I471-A491 HydrophobicContact CD1-CB 4.09Å; I471-A491 HydrophobicContact CG1-CB 4.23Å; I471-P492 PolarHBondContact N-O 3Å; I471-I493 HydrophobicContact CB-CG1 4.04Å; I471-I493 HydrophobicContact CG2-CG1 4.13Å; I471-I493 CarbonylContact O-C 3.53Å; I471-I493 VanDerWaalsContact O-CA 3.3Å; I471-I493 WeakPolarHBondContact O-CA 3.47Å; I471-V494 PolarHBondContact O-N 3.19Å
472	V	93.8	Very high	86	Confident	26 Å²	26	36.8 Å²	36.8	16%	0.158	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.1	167.7	175.5	0	0	0	0	107.2	L336 L356 F403 A404 S405 V494	L336-V472 HydrophobicContact CD2-CG2 3.81Å; L356-V472 HydrophobicContact CD1-CG1 4.3Å; F403-V472 PolarHBondContact O-N 2.8Å; A404-V472 CarbonylContact C-O 3.6Å; A404-V472 WeakPolarHBondContact CA-O 3.48Å; S405-V472 PolarHBondContact N-O 2.67Å; V472-V494 WeakPolarHBondContact CA-O 3.46Å
473	C	91.6	Very high	85.8	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	178.9	-166.5	0	0	0	0	110.6	S405 L410 L478 I493 V494 Q495 G496	S405-C473 WeakPolarHBondContact O-CA 3.38Å; L410-C473 HydrophobicContact CD1-CB 4.28Å; C473-L478 HydrophobicContact CB-CD2 4.31Å; C473-I493 HydrophobicContact CB-CG2 3.69Å; C473-V494 PolarHBondContact N-O 2.84Å; C473-Q495 WeakPolarHBondContact O-CA 3.47Å; C473-G496 PolarHBondContact O-N 2.77Å
474	G	86.7	Confident	85.9	Confident	7 Å²	7	32.2 Å²	32.2	7%	0.072	19%	0.192	C	C	.	.			trans	-159.9	-172.6	-180	0	0	0	0	0	112.9	S405 A476	S405-G474 PolarHBondContact O-N 3.12Å; G474-A476 VanDerWaalsContact C-N 3.26Å; G474-A476 PolarHBondContact O-N 3.25Å
475	G	76.9	Confident	85.9	Confident	29 Å²	29	32.1 Å²	32.1	30%	0.299	19%	0.192	S	C	.	.	S	Bend	trans	85.5	-25.5	176.5	0	0	0	0	0	115.3	K744	G475-K744 WeakPolarHBondContact O-CE 3.39Å; G475-K744 PolarHBondContact O-NZ 2.77Å
476	A	78.2	Confident	85.8	Confident	32 Å²	32	31.9 Å²	31.9	26%	0.264	19%	0.189	S	C	.	.	S	Bend	trans	-152.3	164.1	174.8	0	0	0	0	0	111.5	P407 G474 L478	P407-A476 HydrophobicContact CG-CB 4.04Å; P407-A476 WeakPolarHBondContact CG-O 3.3Å; G474-A476 VanDerWaalsContact C-N 3.26Å; G474-A476 PolarHBondContact O-N 3.25Å; A476-L478 PolarHBondContact O-N 3.08Å
477	P	75.4	Confident	85.7	Confident	108 Å²	108	30.5 Å²	30.5	70%	0.701	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-58.1	134.1	174.5	-24.2	35	0	0	0	112	P407	P407-P477 WeakPolarHBondContact CG-O 3.44Å
478	L	78.1	Confident	85.4	Confident	15 Å²	15	27.2 Å²	27.2	8%	0.079	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-101.9	130.2	175.8	-179.5	64.2	0	0	0	109.2	P407 L410 C473 A476 Q483 I493	P407-L478 HydrophobicContact CB-CD1 4.07Å; P407-L478 HydrophobicContact CG-CB 4.28Å; P407-L478 HydrophobicContact CG-CD1 4.28Å; L410-L478 HydrophobicContact CD1-CD1 4.05Å; C473-L478 HydrophobicContact CB-CD2 4.31Å; A476-L478 PolarHBondContact O-N 3.08Å; L478-Q483 HydrophobicContact CD2-CB 3.7Å; L478-Q483 HydrophobicContact CD2-CG 3.93Å; L478-Q483 HydrophobicContact CG-CB 4.09Å; L478-I493 HydrophobicContact CD2-CD1 3.98Å; L478-I493 HydrophobicContact CD2-CG2 4.09Å
479	S	75.3	Confident	85.1	Confident	43 Å²	43	26.7 Å²	26.7	30%	0.301	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-74.3	145.6	174.7	54.3	0	0	0	0	111.7	D481 S482 Q483	S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 PolarHBondContact O-N 3.37Å; S479-S482 PolarHBondContact O-N 2.9Å; S479-S482 VanDerWaalsContact O-N 3.15Å; S479-S482 VanDerWaalsContact OG-CB 3.26Å; S479-S482 WeakPolarHBondContact OG-CB 3.33Å; S479-S482 PolarHBondContact OG-OG 2.75Å; S479-Q483 PolarHBondContact O-N 2.89Å
480	E	79.2	Confident	85	Confident	74 Å²	74	25 Å²	25	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-53	-47.2	175.2	176.6	169.6	-172.4	0	0	112.2	S482 Q483 L484 C516 N517	E480-S482 VanDerWaalsContact C-N 3.31Å; E480-S482 PolarHBondContact O-N 3.16Å; E480-Q483 PolarHBondContact O-N 3.4Å; E480-L484 VanDerWaalsContact O-CB 3.32Å; E480-L484 WeakPolarHBondContact O-CB 3.44Å; E480-L484 PolarHBondContact O-N 3.11Å; E480-C516 HydrophobicContact CB-CB 4.23Å; E480-C516 HydrophobicContact CG-CB 3.73Å; E480-N517 PolarHBondContact OE2-ND2 3.21Å
481	D	78.7	Confident	85	Confident	79 Å²	79	22.6 Å²	22.6	42%	0.422	14%	0.142	S	C	.	.	H	α-helix	trans	-59.5	-42.1	179	-73.7	-32.3	0	0	0	112	S479 F485	S479-D481 VanDerWaalsContact C-N 3.31Å; S479-D481 PolarHBondContact O-N 3.37Å; D481-F485 WeakPolarHBondContact O-CB 3.48Å; D481-F485 PolarHBondContact O-N 2.96Å
482	S	80.7	Confident	84.7	Confident	13 Å²	13	24.5 Å²	24.5	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-69.3	-39	178.5	-63.8	0	0	0	0	111.8	S479 E480 T486	S479-S482 PolarHBondContact O-N 2.9Å; S479-S482 VanDerWaalsContact O-N 3.15Å; S479-S482 VanDerWaalsContact OG-CB 3.26Å; S479-S482 WeakPolarHBondContact OG-CB 3.33Å; S479-S482 PolarHBondContact OG-OG 2.75Å; E480-S482 VanDerWaalsContact C-N 3.31Å; E480-S482 PolarHBondContact O-N 3.16Å; S482-T486 VanDerWaalsContact O-CB 3.32Å; S482-T486 WeakPolarHBondContact O-CB 3.36Å; S482-T486 PolarHBondContact O-N 2.74Å; S482-T486 PolarHBondContact O-OG1 3.02Å
483	Q	85.8	Confident	84.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-53.3	177.4	-173.6	174.9	-4.5	0	0	111	L478 S479 E480 F485 T486 N487 I493 R515	L478-Q483 HydrophobicContact CD2-CB 3.7Å; L478-Q483 HydrophobicContact CD2-CG 3.93Å; L478-Q483 HydrophobicContact CG-CB 4.09Å; S479-Q483 PolarHBondContact O-N 2.89Å; E480-Q483 PolarHBondContact O-N 3.4Å; Q483-F485 VanDerWaalsContact C-N 3.34Å; Q483-F485 PolarHBondContact O-N 2.88Å; Q483-T486 PolarHBondContact O-N 3.17Å; Q483-N487 WeakPolarHBondContact O-CB 3.17Å; Q483-N487 VanDerWaalsContact O-CG 3.25Å; Q483-N487 PolarHBondContact O-N 2.84Å; Q483-I493 HydrophobicContact CG-CD1 4.3Å; Q483-R515 PolarHBondContact NE2-O 3.09Å
484	L	85.7	Confident	84.6	Confident	29 Å²	29	23.4 Å²	23.4	15%	0.152	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-47.6	178	-178.8	62.3	0	0	0	110.5	E480 T486 N487 I488	E480-L484 VanDerWaalsContact O-CB 3.32Å; E480-L484 WeakPolarHBondContact O-CB 3.44Å; E480-L484 PolarHBondContact O-N 3.11Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 2.77Å; L484-N487 PolarHBondContact O-N 2.87Å; L484-I488 HydrophobicContact CD1-CD1 4.41Å; L484-I488 HydrophobicContact CD1-CG1 3.95Å; L484-I488 HydrophobicContact CG-CG1 4.31Å; L484-I488 WeakPolarHBondContact O-CB 3.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.32Å; L484-I488 PolarHBondContact O-N 3.16Å
485	F	88.8	Confident	84.8	Confident	5 Å²	5	23.9 Å²	23.9	2%	0.022	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-46.1	178.3	178.7	-87.5	0	0	0	111.6	S414 V417 W418 F432 Y436 D481 Q483 I488 C489	S414-F485 VanDerWaalsContact CA-CE1 3.49Å; S414-F485 VanDerWaalsContact OG-CD1 3.27Å; S414-F485 WeakPolarHBondContact OG-CD1 3.34Å; S414-F485 WeakPolarHBondContact OG-CE1 3.22Å; S414-F485 WeakPolarHBondContact OG-CG 3.42Å; V417-F485 HydrophobicContact CB-CZ 3.91Å; V417-F485 HydrophobicContact CG1-CZ 3.83Å; V417-F485 HydrophobicContact CG2-CZ 4.42Å; W418-F485 AromaticContact CD1-CE2 3.94Å; W418-F485 AromaticContact CE2-CE2 3.85Å; W418-F485 HydrophobicContact CZ2-CE2 4.26Å; W418-F485 AromaticContact NE1-CD2 3.68Å; W418-F485 AromaticContact NE1-CE2 3.32Å; W418-F485 VanDerWaalsContact NE1-CE2 3.32Å; F432-F485 HydrophobicContact CE1-CE2 4.48Å; F432-F485 HydrophobicContact CZ-CE2 4.36Å; Y436-F485 AromaticContact CE2-CD2 3.85Å; Y436-F485 HydrophobicContact CE2-CD2 3.85Å; Y436-F485 WeakPolarHBondContact OH-CA 3.18Å; Y436-F485 PolarHBondContact OH-N 3.04Å; D481-F485 WeakPolarHBondContact O-CB 3.48Å; D481-F485 PolarHBondContact O-N 2.96Å; Q483-F485 VanDerWaalsContact C-N 3.34Å; Q483-F485 PolarHBondContact O-N 2.88Å; F485-I488 PolarHBondContact O-N 3.22Å; F485-C489 HydrophobicContact CD1-CB 4.34Å; F485-C489 HydrophobicContact CE1-CB 3.96Å; F485-C489 HydrophobicContact CE2-CB 4.45Å; F485-C489 VanDerWaalsContact CE2-SG 3.57Å; F485-C489 HydrophobicContact CZ-CB 4.04Å; F485-C489 WeakPolarHBondContact O-CB 3.46Å; F485-C489 PolarHBondContact O-N 3.18Å; F485-C489 PolarHBondContact O-SG 3.15Å
486	T	90.3	Very high	85.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-44.5	-178.9	-57	0	0	0	0	111.6	L410 I471 S482 Q483 L484 I488 C489 I490 A491 I493	L410-T486 HydrophobicContact CD2-CG2 4.25Å; I471-T486 HydrophobicContact CD1-CG2 3.44Å; I471-T486 VanDerWaalsContact CD1-CG2 3.44Å; S482-T486 VanDerWaalsContact O-CB 3.32Å; S482-T486 WeakPolarHBondContact O-CB 3.36Å; S482-T486 PolarHBondContact O-N 2.74Å; S482-T486 PolarHBondContact O-OG1 3.02Å; Q483-T486 PolarHBondContact O-N 3.17Å; L484-T486 VanDerWaalsContact C-N 3.29Å; L484-T486 PolarHBondContact O-N 2.77Å; T486-I488 PolarHBondContact O-N 3.18Å; T486-C489 PolarHBondContact O-N 2.86Å; T486-I490 HydrophobicContact CG2-CB 3.99Å; T486-I490 HydrophobicContact CG2-CD1 4.28Å; T486-I490 HydrophobicContact CG2-CG1 4.49Å; T486-I490 HydrophobicContact CG2-CG2 4.48Å; T486-I490 CarbonylContact O-C 3.52Å; T486-I490 WeakPolarHBondContact O-CA 3.3Å; T486-I490 WeakPolarHBondContact O-CB 3.22Å; T486-I490 PolarHBondContact O-N 2.97Å; T486-A491 CarbonylContact C-O 3.53Å; T486-A491 PolarHBondContact O-N 3.12Å; T486-A491 VanDerWaalsContact O-O 3.14Å; T486-I493 VanDerWaalsContact CB-CD1 3.49Å; T486-I493 HydrophobicContact CG2-CD1 3.6Å; T486-I493 HydrophobicContact CG2-CG1 3.73Å
487	N	88.6	Confident	86.2	Confident	8 Å²	8	23.1 Å²	23.1	4%	0.043	14%	0.136	C	C	.	.	H	α-helix	trans	-54.6	-43.3	175.5	-75.5	-10.8	0	0	0	111.5	Q483 L484 A491 P492 I493	Q483-N487 WeakPolarHBondContact O-CB 3.17Å; Q483-N487 VanDerWaalsContact O-CG 3.25Å; Q483-N487 PolarHBondContact O-N 2.84Å; L484-N487 PolarHBondContact O-N 2.87Å; N487-A491 WeakPolarHBondContact CA-O 3.4Å; N487-P492 WeakPolarHBondContact OD1-CA 3.27Å; N487-I493 PolarHBondContact OD1-N 3.1Å
488	I	87.4	Confident	87.1	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-75	-55.6	-178.7	-63.3	-71.6	0	0	0	111	Y436 K439 C440 I443 F457 L484 F485 T486	Y436-I488 HydrophobicContact CD2-CB 4.3Å; Y436-I488 HydrophobicContact CD2-CG2 3.57Å; Y436-I488 HydrophobicContact CE2-CB 3.9Å; Y436-I488 HydrophobicContact CE2-CG1 4.34Å; Y436-I488 HydrophobicContact CE2-CG2 3.7Å; Y436-I488 HydrophobicContact CG-CG2 4.31Å; K439-I488 HydrophobicContact CB-CD1 4.41Å; K439-I488 HydrophobicContact CB-CG2 4.09Å; K439-I488 HydrophobicContact CD-CG2 3.92Å; K439-I488 WeakPolarHBondContact CE-O 3.31Å; K439-I488 HydrophobicContact CG-CD1 3.95Å; K439-I488 HydrophobicContact CG-CG2 4.03Å; K439-I488 PolarHBondContact NZ-O 3.28Å; C440-I488 HydrophobicContact CB-CD1 4.21Å; C440-I488 VanDerWaalsContact SG-CD1 3.52Å; I443-I488 HydrophobicContact CD1-CD1 3.89Å; I443-I488 HydrophobicContact CG1-CD1 4.49Å; F457-I488 HydrophobicContact CE1-CG2 4.1Å; F457-I488 HydrophobicContact CZ-CG2 3.91Å; L484-I488 HydrophobicContact CD1-CD1 4.41Å; L484-I488 HydrophobicContact CD1-CG1 3.95Å; L484-I488 HydrophobicContact CG-CG1 4.31Å; L484-I488 WeakPolarHBondContact O-CB 3.25Å; L484-I488 WeakPolarHBondContact O-CG1 3.32Å; L484-I488 PolarHBondContact O-N 3.16Å; F485-I488 PolarHBondContact O-N 3.22Å; T486-I488 PolarHBondContact O-N 3.18Å
489	C	89.6	Confident	87.9	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-82.1	-30.9	-168.2	-67.1	0	0	0	0	113.2	F457 V460 R461 F485 T486	F457-C489 HydrophobicContact CD1-CB 4.29Å; F457-C489 HydrophobicContact CE1-CB 4.41Å; V460-C489 HydrophobicContact CG1-CB 4Å; R461-C489 WeakPolarHBondContact CG-O 3.44Å; R461-C489 PolarHBondContact NE-O 2.58Å; F485-C489 HydrophobicContact CD1-CB 4.34Å; F485-C489 HydrophobicContact CE1-CB 3.96Å; F485-C489 HydrophobicContact CE2-CB 4.45Å; F485-C489 VanDerWaalsContact CE2-SG 3.57Å; F485-C489 HydrophobicContact CZ-CB 4.04Å; F485-C489 WeakPolarHBondContact O-CB 3.46Å; F485-C489 PolarHBondContact O-N 3.18Å; F485-C489 PolarHBondContact O-SG 3.15Å; T486-C489 PolarHBondContact O-N 2.86Å
490	I	89.3	Confident	88.9	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-68.8	-161.1	-53.8	-175.1	0	0	0	112.5	I413 R461 M464 I471 T486	I413-I490 HydrophobicContact CG2-CD1 3.5Å; R461-I490 WeakPolarHBondContact CD-O 3.44Å; R461-I490 VanDerWaalsContact CZ-C 3.46Å; R461-I490 PolarHBondContact NE-O 2.87Å; R461-I490 VanDerWaalsContact NE-O 3.14Å; R461-I490 PolarHBondContact NH1-O 2.76Å; R461-I490 PolarHBondContact NH2-O 2.79Å; M464-I490 HydrophobicContact CB-CG2 4.43Å; M464-I490 HydrophobicContact CG-CG2 4.29Å; M464-I490 HydrophobicContact SD-CB 4.43Å; M464-I490 HydrophobicContact SD-CD1 3.65Å; M464-I490 HydrophobicContact SD-CG1 4.39Å; M464-I490 HydrophobicContact SD-CG2 3.31Å; M464-I490 WeakPolarHBondContact SD-CG2 3.42Å; I471-I490 HydrophobicContact CD1-CG2 3.87Å; T486-I490 HydrophobicContact CG2-CB 3.99Å; T486-I490 HydrophobicContact CG2-CD1 4.28Å; T486-I490 HydrophobicContact CG2-CG1 4.49Å; T486-I490 HydrophobicContact CG2-CG2 4.48Å; T486-I490 CarbonylContact O-C 3.52Å; T486-I490 WeakPolarHBondContact O-CA 3.3Å; T486-I490 WeakPolarHBondContact O-CB 3.22Å; T486-I490 PolarHBondContact O-N 2.97Å
491	A	90.2	Very high	89.8	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.			trans	-173	155.8	-178.3	0	0	0	0	0	110	I468 I471 T486 N487 I493	I468-A491 HydrophobicContact CB-CB 4.07Å; I468-A491 HydrophobicContact CG2-CB 3.51Å; I471-A491 HydrophobicContact CD1-CB 4.09Å; I471-A491 HydrophobicContact CG1-CB 4.23Å; T486-A491 CarbonylContact C-O 3.53Å; T486-A491 PolarHBondContact O-N 3.12Å; T486-A491 VanDerWaalsContact O-O 3.14Å; N487-A491 WeakPolarHBondContact CA-O 3.4Å; A491-I493 PolarHBondContact O-N 2.87Å
492	P	89.3	Confident	90.7	Very high	39 Å²	39	12.2 Å²	12.2	25%	0.253	8%	0.076	S	C	.	.			trans	-55.3	131.8	171.7	-24.7	34	0	0	0	112.7	R469 I471 N487 L514	R469-P492 WeakPolarHBondContact O-CD 3.44Å; I471-P492 PolarHBondContact N-O 3Å; N487-P492 WeakPolarHBondContact OD1-CA 3.27Å; P492-L514 HydrophobicContact CB-CD2 4.08Å; P492-L514 HydrophobicContact CG-CD2 4.45Å
493	I	90.7	Very high	91.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.9	170.5	-68.6	174.3	0	0	0	109.6	L410 I471 C473 L478 Q483 T486 N487 A491	L410-I493 HydrophobicContact CD1-CD1 3.65Å; I471-I493 HydrophobicContact CB-CG1 4.04Å; I471-I493 HydrophobicContact CG2-CG1 4.13Å; I471-I493 CarbonylContact O-C 3.53Å; I471-I493 VanDerWaalsContact O-CA 3.3Å; I471-I493 WeakPolarHBondContact O-CA 3.47Å; C473-I493 HydrophobicContact CB-CG2 3.69Å; L478-I493 HydrophobicContact CD2-CD1 3.98Å; L478-I493 HydrophobicContact CD2-CG2 4.09Å; Q483-I493 HydrophobicContact CG-CD1 4.3Å; T486-I493 VanDerWaalsContact CB-CD1 3.49Å; T486-I493 HydrophobicContact CG2-CD1 3.6Å; T486-I493 HydrophobicContact CG2-CG1 3.73Å; N487-I493 PolarHBondContact OD1-N 3.1Å; A491-I493 PolarHBondContact O-N 2.87Å
494	V	91.4	Very high	91.9	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.012	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	105	162.1	179.4	0	0	0	0	106.7	I471 V472 C473 L508 M509	I471-V494 PolarHBondContact O-N 3.19Å; V472-V494 WeakPolarHBondContact CA-O 3.46Å; C473-V494 PolarHBondContact N-O 2.84Å; V494-L508 HydrophobicContact CG1-CD1 3.74Å; V494-L508 HydrophobicContact CG1-CG 4.18Å; V494-M509 HydrophobicContact CG1-CB 4.2Å; V494-M509 WeakPolarHBondContact CG1-O 3.28Å
495	Q	90.5	Very high	92.4	Very high	18 Å²	18	11.3 Å²	11.3	8%	0.084	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	139.7	174.7	-166.3	174.5	12.9	0	0	109.7	C473 M509 H518	C473-Q495 WeakPolarHBondContact O-CA 3.47Å; Q495-M509 HydrophobicContact CB-CG 4Å; Q495-M509 HydrophobicContact CB-SD 3.37Å; Q495-M509 WeakPolarHBondContact CB-SD 3.18Å; Q495-M509 PolarHBondContact N-SD 3.1Å; Q495-M509 VanDerWaalsContact N-SD 3.42Å; Q495-M509 WeakPolarHBondContact O-CG 3.38Å; Q495-M509 PolarHBondContact O-N 2.72Å; Q495-H518 PolarHBondContact OE1-O 3.35Å
496	G	91.9	Very high	92.7	Very high	21 Å²	21	11.2 Å²	11.2	22%	0.216	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.8	173.3	0	0	0	0	0	111.8	C473 A507	C473-G496 PolarHBondContact O-N 2.77Å; G496-A507 CarbonylContact C-O 3.58Å; G496-A507 WeakPolarHBondContact CA-O 3.36Å
497	Y	94.4	Very high	93	Very high	24 Å²	24	11.3 Å²	11.3	9%	0.094	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.9	166	169	-103.9	0	0	0	109.6	L499 G506 A507 I550 T584 D586 L596 I598	Y497-L499 HydrophobicContact CE1-CD1 4.27Å; Y497-L499 HydrophobicContact CE2-CD1 3.94Å; Y497-L499 WeakPolarHBondContact OH-CD1 3.31Å; Y497-G506 CarbonylContact O-C 3.45Å; Y497-G506 WeakPolarHBondContact O-CA 3.48Å; Y497-G506 PolarHBondContact O-N 3.19Å; Y497-A507 PolarHBondContact N-O 3.11Å; Y497-A507 PolarHBondContact O-N 3.01Å; Y497-I550 HydrophobicContact CE1-CD1 4.16Å; Y497-I550 HydrophobicContact CE1-CG2 4.05Å; Y497-T584 WeakPolarHBondContact OH-CB 3.41Å; Y497-D586 PolarHBondContact OH-OD2 2.89Å; Y497-D586 VanDerWaalsContact OH-OD2 3.14Å; Y497-L596 HydrophobicContact CD1-CD2 3.88Å; Y497-L596 HydrophobicContact CE1-CD2 4.22Å; Y497-I598 HydrophobicContact CD1-CD1 4.28Å; Y497-I598 HydrophobicContact CD2-CD1 3.73Å; Y497-I598 HydrophobicContact CD2-CG1 3.59Å; Y497-I598 HydrophobicContact CE2-CD1 4.25Å; Y497-I598 HydrophobicContact CE2-CG1 3.7Å; Y497-I598 HydrophobicContact CG-CD1 3.72Å; Y497-I598 HydrophobicContact CG-CG1 4.1Å
498	G	94	Very high	93.2	Very high	25 Å²	25	11.6 Å²	11.6	26%	0.258	8%	0.075	S	C	.	.			trans	-175.9	154.4	176.7	0	0	0	0	0	110.1
499	L	94.9	Very high	93.4	Very high	29 Å²	29	11.5 Å²	11.5	15%	0.152	7%	0.074	C	C	.	.			trans	-114.9	170.2	177.2	-64.7	91.9	0	0	0	109.8	Y497 E501 S502 C503 S504 F582 T584	Y497-L499 HydrophobicContact CE1-CD1 4.27Å; Y497-L499 HydrophobicContact CE2-CD1 3.94Å; Y497-L499 WeakPolarHBondContact OH-CD1 3.31Å; L499-E501 WeakPolarHBondContact CB-OE2 3.04Å; L499-E501 PolarHBondContact O-N 2.82Å; L499-S502 PolarHBondContact N-OG 3.31Å; L499-S502 VanDerWaalsContact N-OG 3.15Å; L499-S502 CarbonylContact O-C 3.53Å; L499-S502 PolarHBondContact O-N 3.05Å; L499-S502 VanDerWaalsContact O-N 3.14Å; L499-S502 PolarHBondContact O-OG 2.55Å; L499-C503 PolarHBondContact O-N 3.19Å; L499-S504 PolarHBondContact O-N 2.8Å; L499-F582 HydrophobicContact CB-CE1 4.3Å; L499-F582 HydrophobicContact CD1-CE1 4.31Å; L499-F582 HydrophobicContact CD2-CE1 4.28Å; L499-F582 HydrophobicContact CD2-CZ 4.4Å; L499-T584 HydrophobicContact CD1-CG2 3.96Å
500	T	95.7	Very high	93.1	Very high	14 Å²	14	13.7 Å²	13.7	9%	0.086	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-60.2	-39.8	173.8	-56.1	0	0	0	0	110.8	M306 T308 V318 M320 V355 S502 C503	M306-T500 HydrophobicContact CB-CG2 3.91Å; M306-T500 HydrophobicContact CG-CG2 3.92Å; M306-T500 HydrophobicContact SD-CG2 3.82Å; T308-T500 HydrophobicContact CG2-CG2 3.78Å; T308-T500 WeakPolarHBondContact CG2-OG1 3.32Å; V318-T500 HydrophobicContact CB-CG2 3.77Å; V318-T500 HydrophobicContact CG1-CG2 4.04Å; V318-T500 HydrophobicContact CG2-CG2 3.84Å; M320-T500 HydrophobicContact CE-CG2 4.48Å; V355-T500 HydrophobicContact CB-CG2 4.45Å; T500-S502 PolarHBondContact O-N 2.79Å; T500-S502 VanDerWaalsContact O-N 3.07Å; T500-C503 PolarHBondContact O-N 3.39Å
501	E	97.4	Very high	92.5	Very high	21 Å²	21	15.8 Å²	15.8	10%	0.098	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.3	-14	177.6	-64.8	85.6	169.7	0	0	113.7	V318 L499 S558 Y561 F572 F582	V318-E501 HydrophobicContact CG1-CG 4.24Å; V318-E501 HydrophobicContact CG2-CG 4.09Å; L499-E501 WeakPolarHBondContact CB-OE2 3.04Å; L499-E501 PolarHBondContact O-N 2.82Å; E501-S558 WeakPolarHBondContact CA-OG 3.42Å; E501-S558 VanDerWaalsContact O-CB 3.22Å; E501-S558 WeakPolarHBondContact O-CB 3.44Å; E501-S558 PolarHBondContact O-N 3.39Å; E501-S558 PolarHBondContact O-OG 2.74Å; E501-Y561 HydrophobicContact CG-CE1 3.86Å; E501-Y561 WeakPolarHBondContact OE1-CE1 3.17Å; E501-F572 HydrophobicContact CB-CZ 3.95Å; E501-F572 HydrophobicContact CG-CZ 4.05Å; E501-F582 HydrophobicContact CB-CD1 3.96Å; E501-F582 HydrophobicContact CB-CD2 4.09Å; E501-F582 HydrophobicContact CB-CE1 3.52Å; E501-F582 HydrophobicContact CB-CE2 3.68Å; E501-F582 HydrophobicContact CB-CG 4.23Å; E501-F582 HydrophobicContact CB-CZ 3.37Å; E501-F582 HydrophobicContact CG-CD2 4.48Å; E501-F582 HydrophobicContact CG-CE1 4.24Å; E501-F582 HydrophobicContact CG-CE2 3.72Å; E501-F582 HydrophobicContact CG-CZ 3.57Å
502	S	97.4	Very high	91.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-122.7	22.7	176.6	69.3	0	0	0	0	113.2	L499 T500 S504 T505 P556	L499-S502 PolarHBondContact N-OG 3.31Å; L499-S502 VanDerWaalsContact N-OG 3.15Å; L499-S502 CarbonylContact O-C 3.53Å; L499-S502 PolarHBondContact O-N 3.05Å; L499-S502 VanDerWaalsContact O-N 3.14Å; L499-S502 PolarHBondContact O-OG 2.55Å; T500-S502 PolarHBondContact O-N 2.79Å; T500-S502 VanDerWaalsContact O-N 3.07Å; S502-S504 VanDerWaalsContact C-N 3.29Å; S502-S504 PolarHBondContact O-N 2.87Å; S502-T505 WeakPolarHBondContact CB-O 3.19Å; S502-T505 WeakPolarHBondContact O-CA 3.43Å; S502-T505 VanDerWaalsContact O-CB 3.27Å; S502-T505 WeakPolarHBondContact O-CB 3.46Å; S502-T505 PolarHBondContact O-N 2.96Å; S502-T505 PolarHBondContact OG-O 2.89Å; S502-P556 CarbonylContact C-O 3.58Å; S502-P556 WeakPolarHBondContact CA-O 3.15Å
503	C	96.9	Very high	91.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	39.2	178.5	-62.2	0	0	0	0	113.9	M320 N324 L325 A328 L499 T500 T505 P556	M320-C503 HydrophobicContact SD-CB 4.49Å; N324-C503 VanDerWaalsContact CB-SG 3.53Å; L325-C503 HydrophobicContact CD2-CB 4.2Å; A328-C503 HydrophobicContact CB-CB 3.57Å; L499-C503 PolarHBondContact O-N 3.19Å; T500-C503 PolarHBondContact O-N 3.39Å; C503-T505 PolarHBondContact O-N 3.43Å; C503-T505 PolarHBondContact O-OG1 2.83Å; C503-P556 HydrophobicContact CB-CB 4.41Å; C503-P556 PolarHBondContact SG-O 3.25Å
504	S	95.2	Very high	91	Very high	22 Å²	22	20 Å²	20	15%	0.154	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	24.9	-173.8	-160.5	0	0	0	0	114	H332 L499 S502	H332-S504 PolarHBondContact NE2-O 2.94Å; L499-S504 PolarHBondContact O-N 2.8Å; S502-S504 VanDerWaalsContact C-N 3.29Å; S502-S504 PolarHBondContact O-N 2.87Å
505	T	96	Very high	90.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	14%	0.14	C	C	.	.			trans	-119.8	130.6	-179.9	-47.3	0	0	0	0	110.4	A328 H332 S502 C503 A523 L526 P556	A328-T505 WeakPolarHBondContact CA-OG1 3.49Å; A328-T505 VanDerWaalsContact CB-OG1 3.25Å; A328-T505 WeakPolarHBondContact CB-OG1 3.49Å; H332-T505 PolarHBondContact NE2-OG1 3.46Å; S502-T505 WeakPolarHBondContact CB-O 3.19Å; S502-T505 WeakPolarHBondContact O-CA 3.43Å; S502-T505 VanDerWaalsContact O-CB 3.27Å; S502-T505 WeakPolarHBondContact O-CB 3.46Å; S502-T505 PolarHBondContact O-N 2.96Å; S502-T505 PolarHBondContact OG-O 2.89Å; C503-T505 PolarHBondContact O-N 3.43Å; C503-T505 PolarHBondContact O-OG1 2.83Å; T505-A523 HydrophobicContact CG2-CB 3.32Å; T505-L526 HydrophobicContact CG2-CD2 3.6Å; T505-L526 HydrophobicContact CG2-CG 4.26Å; T505-L526 WeakPolarHBondContact O-CD2 3.46Å; T505-P556 HydrophobicContact CG2-CB 4.28Å; T505-P556 HydrophobicContact CG2-CG 4.08Å
506	G	96.3	Very high	90.1	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-162.2	-87.3	178.3	0	0	0	0	0	108.6	Y497 P522 A523 L526	Y497-G506 CarbonylContact O-C 3.45Å; Y497-G506 WeakPolarHBondContact O-CA 3.48Å; Y497-G506 PolarHBondContact O-N 3.19Å; G506-P522 WeakPolarHBondContact O-CA 3.2Å; G506-A523 PolarHBondContact O-N 3.39Å; G506-L526 WeakPolarHBondContact O-CD1 3.49Å
507	A	95.5	Very high	89.6	Confident	2 Å²	2	26 Å²	26	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.8	169.4	0	0	0	0	0	110.3	G496 Y497 S519 A521 I528 L596	G496-A507 CarbonylContact C-O 3.58Å; G496-A507 WeakPolarHBondContact CA-O 3.36Å; Y497-A507 PolarHBondContact N-O 3.11Å; Y497-A507 PolarHBondContact O-N 3.01Å; A507-S519 CarbonylContact C-O 3.56Å; A507-A521 CarbonylContact C-O 3.58Å; A507-A521 WeakPolarHBondContact CA-O 3.09Å; A507-I528 HydrophobicContact CB-CD1 4.33Å; A507-L596 HydrophobicContact CB-CB 3.94Å; A507-L596 HydrophobicContact CB-CD2 3.89Å
508	L	93.1	Very high	89.3	Confident	14 Å²	14	25.1 Å²	25.1	7%	0.073	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.8	-179.3	-170.7	62.1	0	0	0	110.6	R335 V494 S519 A521	R335-L508 HydrophobicContact CB-CD2 3.53Å; R335-L508 HydrophobicContact CB-CG 4.11Å; R335-L508 HydrophobicContact CG-CB 4.01Å; R335-L508 HydrophobicContact CG-CD2 3.71Å; R335-L508 HydrophobicContact CG-CG 3.68Å; V494-L508 HydrophobicContact CG1-CD1 3.74Å; V494-L508 HydrophobicContact CG1-CG 4.18Å; L508-S519 CarbonylContact C-O 3.54Å; L508-S519 VanDerWaalsContact C-O 3.26Å; L508-S519 VanDerWaalsContact CA-O 3.25Å; L508-S519 WeakPolarHBondContact CA-O 3.28Å; L508-S519 PolarHBondContact N-O 3.11Å; L508-S519 VanDerWaalsContact N-O 3.08Å; L508-A521 PolarHBondContact N-O 3.12Å; L508-A521 PolarHBondContact O-N 2.79Å
509	M	91.4	Very high	89.2	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-63.1	145.7	175.2	-71.1	-178	73.1	0	0	111.4	R335 V494 Q495 D513 R515 S519	R335-M509 WeakPolarHBondContact CG-O 3.3Å; V494-M509 HydrophobicContact CG1-CB 4.2Å; V494-M509 WeakPolarHBondContact CG1-O 3.28Å; Q495-M509 HydrophobicContact CB-CG 4Å; Q495-M509 HydrophobicContact CB-SD 3.37Å; Q495-M509 WeakPolarHBondContact CB-SD 3.18Å; Q495-M509 PolarHBondContact N-SD 3.1Å; Q495-M509 VanDerWaalsContact N-SD 3.42Å; Q495-M509 WeakPolarHBondContact O-CG 3.38Å; Q495-M509 PolarHBondContact O-N 2.72Å; M509-D513 HydrophobicContact CE-CB 3.86Å; M509-D513 WeakPolarHBondContact CE-O 3.36Å; M509-R515 WeakPolarHBondContact CE-O 3.43Å; M509-S519 PolarHBondContact N-O 2.8Å
510	E	84.1	Confident	89.1	Confident	46 Å²	46	23 Å²	23	22%	0.215	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-70.3	147.9	168.9	-71.5	-173.4	-178.6	0	0	111.1	R20 L22 R335 G512 D513	R20-E510 IonicContact CZ-OE1 3.34Å; R20-E510 IonicContact CZ-OE2 3.37Å; R20-E510 VanDerWaalsContact NH2-CD 3.31Å; R20-E510 IonicContact NH2-OE1 3.33Å; R20-E510 PolarHBondContact NH2-OE1 2.89Å; R20-E510 IonicContact NH2-OE2 3Å; R20-E510 PolarHBondContact NH2-OE2 2.97Å; R20-E510 VanDerWaalsContact NH2-OE2 3.14Å; L22-E510 WeakPolarHBondContact CD2-OE1 3.19Å; R335-E510 IonicContact NH1-OE1 3.94Å; R335-E510 PolarHBondContact NH1-OE1 3.25Å; E510-G512 PolarHBondContact O-N 3.34Å; E510-D513 VanDerWaalsContact O-CB 3.32Å; E510-D513 WeakPolarHBondContact O-CB 3.34Å; E510-D513 PolarHBondContact O-N 3.47Å; E510-D513 VanDerWaalsContact O-N 3.11Å
511	C	76.6	Confident	89	Confident	49 Å²	49	22.3 Å²	22.3	33%	0.331	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	123.5	172.2	177.8	0	0	0	0	110.8	P337 Y470	P337-C511 HydrophobicContact CB-CB 4.25Å; P337-C511 HydrophobicContact CG-CB 4.37Å; Y470-C511 WeakPolarHBondContact CE1-SG 3.09Å
512	G	76.5	Confident	89	Confident	52 Å²	52	21.3 Å²	21.3	54%	0.536	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-3.6	-180	0	0	0	0	0	113.6	E510 L514	E510-G512 PolarHBondContact O-N 3.34Å; G512-L514 PolarHBondContact O-N 3.19Å
513	D	82	Confident	88.9	Confident	23 Å²	23	21.4 Å²	21.4	12%	0.123	13%	0.129	C	C	.	.			trans	-69.1	115.7	162.8	-166.3	-12.1	0	0	0	108.9	M509 E510 R515 H518	M509-D513 HydrophobicContact CE-CB 3.86Å; M509-D513 WeakPolarHBondContact CE-O 3.36Å; E510-D513 VanDerWaalsContact O-CB 3.32Å; E510-D513 WeakPolarHBondContact O-CB 3.34Å; E510-D513 PolarHBondContact O-N 3.47Å; E510-D513 VanDerWaalsContact O-N 3.11Å; D513-R515 VanDerWaalsContact OD1-CB 3.27Å; D513-R515 WeakPolarHBondContact OD1-CB 3.35Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.46Å; D513-R515 IonicContact OD1-CZ 2.87Å; D513-R515 PolarHBondContact OD1-N 3.23Å; D513-R515 VanDerWaalsContact OD1-N 3.1Å; D513-R515 IonicContact OD1-NE 3.93Å; D513-R515 PolarHBondContact OD1-NE 3.1Å; D513-R515 IonicContact OD1-NH2 3.49Å; D513-R515 IonicContact OD2-CZ 3.88Å; D513-R515 IonicContact OD2-NE 3.16Å; D513-R515 PolarHBondContact OD2-NE 2.86Å; D513-R515 VanDerWaalsContact OD2-NE 3.17Å; D513-R515 IonicContact OD2-NH2 3.99Å; D513-R515 PolarHBondContact OD2-NH2 3.33Å; D513-H518 IonicContact OD1-NE2 3.74Å; D513-H518 IonicContact OD2-CE1 3.67Å; D513-H518 PolarHBondContact OD2-CE1 2.75Å; D513-H518 IonicContact OD2-NE2 3.67Å; D513-H518 PolarHBondContact OD2-NE2 3.06Å
514	L	80.2	Confident	88.8	Confident	53 Å²	53	21.4 Å²	21.4	28%	0.277	13%	0.129	S	C	.	.			trans	-107.4	3.8	-177	-60.7	177.5	0	0	0	112.2	I443 P492 G512	I443-L514 HydrophobicContact CG2-CD1 3.21Å; I443-L514 HydrophobicContact CG2-CG 4.49Å; P492-L514 HydrophobicContact CB-CD2 4.08Å; P492-L514 HydrophobicContact CG-CD2 4.45Å; G512-L514 PolarHBondContact O-N 3.19Å
515	R	80.4	Confident	88.8	Confident	50 Å²	50	20.3 Å²	20.3	19%	0.189	12%	0.122	C	C	.	.			trans	-65.1	151.3	175	-62	178	-60.8	165.1	-4.6	109.9	Y14 S19 Q483 M509 D513 H518 D593	Y14-R515 PolarHBondContact OH-NH1 3.37Å; S19-R515 PolarHBondContact OG-NH1 2.83Å; S19-R515 VanDerWaalsContact OG-NH1 3.12Å; Q483-R515 PolarHBondContact NE2-O 3.09Å; M509-R515 WeakPolarHBondContact CE-O 3.43Å; D513-R515 VanDerWaalsContact OD1-CB 3.27Å; D513-R515 WeakPolarHBondContact OD1-CB 3.35Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.46Å; D513-R515 IonicContact OD1-CZ 2.87Å; D513-R515 PolarHBondContact OD1-N 3.23Å; D513-R515 VanDerWaalsContact OD1-N 3.1Å; D513-R515 IonicContact OD1-NE 3.93Å; D513-R515 PolarHBondContact OD1-NE 3.1Å; D513-R515 IonicContact OD1-NH2 3.49Å; D513-R515 IonicContact OD2-CZ 3.88Å; D513-R515 IonicContact OD2-NE 3.16Å; D513-R515 PolarHBondContact OD2-NE 2.86Å; D513-R515 VanDerWaalsContact OD2-NE 3.17Å; D513-R515 IonicContact OD2-NH2 3.99Å; D513-R515 PolarHBondContact OD2-NH2 3.33Å; R515-H518 VanDerWaalsContact CB-NE2 3.32Å; R515-H518 WeakPolarHBondContact CB-NE2 3.12Å; R515-H518 PolarHBondContact NE-NE2 3.07Å; R515-H518 PolarHBondContact NH2-CE1 3.41Å; R515-D593 IonicContact CZ-OD2 2.77Å; R515-D593 IonicContact NH1-OD2 2.7Å; R515-D593 PolarHBondContact NH1-OD2 3.47Å; R515-D593 IonicContact NH2-OD2 3.88Å; R515-D593 PolarHBondContact NH2-OD2 3.03Å; R515-D593 VanDerWaalsContact NH2-OD2 3.16Å
516	C	83.1	Confident	88.8	Confident	28 Å²	28	20.2 Å²	20.2	19%	0.189	12%	0.121	C	C	.	.			trans	-107.7	170.3	178.3	-62.6	0	0	0	0	110.1	E480 H518	E480-C516 HydrophobicContact CB-CB 4.23Å; E480-C516 HydrophobicContact CG-CB 3.73Å; C516-H518 VanDerWaalsContact C-N 3.31Å; C516-H518 PolarHBondContact O-N 3.08Å
517	N	81.6	Confident	88.9	Confident	90 Å²	90	20.7 Å²	20.7	48%	0.481	12%	0.123	S	C	.	.	S	Bend	trans	65.9	21.8	174.1	-57.7	-42.2	0	0	0	115.9	E480 S597	E480-N517 PolarHBondContact OE2-ND2 3.21Å; N517-S597 PolarHBondContact O-OG 2.91Å
518	H	87.9	Confident	89	Confident	6 Å²	6	20.6 Å²	20.6	3%	0.028	12%	0.122	C	C	.	.			trans	-146.3	153.3	169.7	75.3	97.6	0	0	0	111.2	Q495 D513 R515 C516 G520 S597	Q495-H518 PolarHBondContact OE1-O 3.35Å; D513-H518 IonicContact OD1-NE2 3.74Å; D513-H518 IonicContact OD2-CE1 3.67Å; D513-H518 PolarHBondContact OD2-CE1 2.75Å; D513-H518 IonicContact OD2-NE2 3.67Å; D513-H518 PolarHBondContact OD2-NE2 3.06Å; R515-H518 VanDerWaalsContact CB-NE2 3.32Å; R515-H518 WeakPolarHBondContact CB-NE2 3.12Å; R515-H518 PolarHBondContact NE-NE2 3.07Å; R515-H518 PolarHBondContact NH2-CE1 3.41Å; C516-H518 VanDerWaalsContact C-N 3.31Å; C516-H518 PolarHBondContact O-N 3.08Å; H518-G520 PolarHBondContact ND1-N 3.43Å; H518-G520 VanDerWaalsContact ND1-N 3.12Å; H518-S597 WeakPolarHBondContact CA-OG 3.46Å; H518-S597 WeakPolarHBondContact CB-OG 3.27Å
519	S	91	Very high	89.2	Confident	9 Å²	9	23.8 Å²	23.8	6%	0.063	13%	0.133	C	C	.	.			trans	-97.9	13.9	-178.2	-59.9	0	0	0	0	113.6	A507 L508 M509 L596	A507-S519 CarbonylContact C-O 3.56Å; L508-S519 CarbonylContact C-O 3.54Å; L508-S519 VanDerWaalsContact C-O 3.26Å; L508-S519 VanDerWaalsContact CA-O 3.25Å; L508-S519 WeakPolarHBondContact CA-O 3.28Å; L508-S519 PolarHBondContact N-O 3.11Å; L508-S519 VanDerWaalsContact N-O 3.08Å; M509-S519 PolarHBondContact N-O 2.8Å; S519-L596 PolarHBondContact N-O 2.85Å
520	G	93.2	Very high	89.5	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.			trans	78.6	-165.1	-176.7	0	0	0	0	0	114.4	H518 S595 L596	H518-G520 PolarHBondContact ND1-N 3.43Å; H518-G520 VanDerWaalsContact ND1-N 3.12Å; G520-S595 CarbonylContact O-C 3.6Å; G520-S595 WeakPolarHBondContact O-CA 3.47Å; G520-L596 PolarHBondContact O-N 2.95Å
521	A	94.2	Very high	90.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	162.6	-176.8	0	0	0	0	0	112.1	L22 A23 A507 L508 A523	L22-A521 HydrophobicContact CB-CB 3.68Å; A23-A521 HydrophobicContact CB-CB 4.13Å; A507-A521 CarbonylContact C-O 3.58Å; A507-A521 WeakPolarHBondContact CA-O 3.09Å; L508-A521 PolarHBondContact N-O 3.12Å; L508-A521 PolarHBondContact O-N 2.79Å; A521-A523 PolarHBondContact O-N 3.48Å
522	P	96.5	Very high	90.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-44.1	135.5	168.2	-29.3	35.2	0	0	0	112.2	A23 W35 A37 G506 L526 I528	A23-P522 HydrophobicContact CB-CG 4.26Å; W35-P522 HydrophobicContact CB-CG 4.31Å; A37-P522 WeakPolarHBondContact CB-O 3.43Å; G506-P522 WeakPolarHBondContact O-CA 3.2Å; P522-L526 HydrophobicContact CB-CD1 4.46Å; P522-I528 HydrophobicContact CB-CD1 4.11Å; P522-I528 HydrophobicContact CB-CG1 3.95Å; P522-I528 HydrophobicContact CG-CB 4.15Å; P522-I528 HydrophobicContact CG-CD1 3.88Å; P522-I528 HydrophobicContact CG-CG1 3.85Å
523	A	95	Very high	91.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	12%	0.12	C	C	.	.			trans	-64.3	145.5	175.4	0	0	0	0	0	110.4	T505 G506 A521 T525 L526	T505-A523 HydrophobicContact CG2-CB 3.32Å; G506-A523 PolarHBondContact O-N 3.39Å; A521-A523 PolarHBondContact O-N 3.48Å; A523-T525 PolarHBondContact O-N 2.84Å; A523-L526 HydrophobicContact CB-CG 4.33Å; A523-L526 PolarHBondContact O-N 2.85Å
524	P	94.3	Very high	91.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.9	-175.5	-27.7	36.6	0	0	0	116.3	E39 A40 T45 Q334	E39-P524 HydrophobicContact CG-CG 4.32Å; A40-P524 HydrophobicContact CB-CB 4.12Å; T45-P524 HydrophobicContact CG2-CB 4.43Å; T45-P524 PolarHBondContact N-O 3.31Å; T45-P524 WeakPolarHBondContact OG1-CB 3.36Å; T45-P524 PolarHBondContact OG1-O 2.97Å; Q334-P524 HydrophobicContact CB-CG 4.24Å
525	T	95.8	Very high	91.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.6	-177.8	56.9	0	0	0	0	113.3	T45 S327 A330 A523 P556	T45-T525 VanDerWaalsContact O-CA 3.3Å; T45-T525 WeakPolarHBondContact O-CA 3.41Å; T45-T525 WeakPolarHBondContact O-CB 3.32Å; T45-T525 VanDerWaalsContact O-CG2 3.31Å; T45-T525 WeakPolarHBondContact O-CG2 3.4Å; T45-T525 VanDerWaalsContact OG1-CG2 3.28Å; T45-T525 WeakPolarHBondContact OG1-CG2 3.5Å; S327-T525 VanDerWaalsContact O-CG2 3.3Å; S327-T525 WeakPolarHBondContact O-CG2 3.31Å; S327-T525 PolarHBondContact O-OG1 3.24Å; A330-T525 HydrophobicContact CB-CG2 4.3Å; A523-T525 PolarHBondContact O-N 2.84Å; T525-P556 VanDerWaalsContact O-CD 3.32Å; T525-P556 WeakPolarHBondContact O-CD 3.28Å; T525-P556 WeakPolarHBondContact OG1-CG 3.38Å
526	L	96.7	Very high	91.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	171.2	175.6	69.6	75.8	0	0	0	112.2	L44 T505 G506 P522 A523 I528 L552 S553	L44-L526 VanDerWaalsContact CD2-C 3.49Å; L44-L526 VanDerWaalsContact CD2-O 3.28Å; L44-L526 WeakPolarHBondContact CD2-O 3.48Å; T505-L526 HydrophobicContact CG2-CD2 3.6Å; T505-L526 HydrophobicContact CG2-CG 4.26Å; T505-L526 WeakPolarHBondContact O-CD2 3.46Å; G506-L526 WeakPolarHBondContact O-CD1 3.49Å; P522-L526 HydrophobicContact CB-CD1 4.46Å; A523-L526 HydrophobicContact CB-CG 4.33Å; A523-L526 PolarHBondContact O-N 2.85Å; L526-I528 HydrophobicContact CD1-CD1 4.46Å; L526-I528 HydrophobicContact CD1-CG1 3.8Å; L526-L552 HydrophobicContact CD1-CD2 4.29Å; L526-S553 CarbonylContact C-O 3.48Å; L526-S553 VanDerWaalsContact CA-O 3.28Å; L526-S553 WeakPolarHBondContact CA-O 3.36Å; L526-S553 VanDerWaalsContact CB-O 3.28Å; L526-S553 WeakPolarHBondContact CB-O 3.34Å
527	Q	97.2	Very high	91.4	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.9	173.7	62.9	-173.7	20.2	0	0	110.1	P34 W35 R36 L44 S553 W581	P34-Q527 HydrophobicContact CB-CB 4.16Å; P34-Q527 HydrophobicContact CB-CG 4.1Å; W35-Q527 VanDerWaalsContact O-CA 3.32Å; W35-Q527 WeakPolarHBondContact O-CA 3.45Å; W35-Q527 WeakPolarHBondContact O-CB 3.4Å; R36-Q527 HydrophobicContact CG-CB 3.73Å; R36-Q527 VanDerWaalsContact CZ-OE1 3.28Å; L44-Q527 HydrophobicContact CD2-CB 4.42Å; Q527-S553 WeakPolarHBondContact CG-O 3.44Å; Q527-S553 PolarHBondContact N-O 2.76Å; Q527-S553 PolarHBondContact O-N 3.1Å; Q527-W581 HydrophobicContact CG-CH2 3.69Å; Q527-W581 HydrophobicContact CG-CZ3 4.03Å; Q527-W581 VanDerWaalsContact NE2-CH2 3.31Å
528	I	98.2	Very high	91.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.5	-179.1	-60.1	-168.3	0	0	0	109.1	P34 W35 A507 P522 L526 I550 L551 L552 M590 L596	P34-I528 CarbonylContact C-O 3.58Å; W35-I528 WeakPolarHBondContact CB-O 3.38Å; W35-I528 PolarHBondContact N-O 3.29Å; W35-I528 PolarHBondContact O-N 3Å; A507-I528 HydrophobicContact CB-CD1 4.33Å; P522-I528 HydrophobicContact CB-CD1 4.11Å; P522-I528 HydrophobicContact CB-CG1 3.95Å; P522-I528 HydrophobicContact CG-CB 4.15Å; P522-I528 HydrophobicContact CG-CD1 3.88Å; P522-I528 HydrophobicContact CG-CG1 3.85Å; L526-I528 HydrophobicContact CD1-CD1 4.46Å; L526-I528 HydrophobicContact CD1-CG1 3.8Å; I528-I550 HydrophobicContact CG2-CG2 3.99Å; I528-L551 CarbonylContact C-O 3.5Å; I528-L551 WeakPolarHBondContact CA-O 3.12Å; I528-L552 HydrophobicContact CD1-CD2 3.97Å; I528-L552 HydrophobicContact CG1-CD2 3.67Å; I528-M590 HydrophobicContact CG2-CE 4.29Å; I528-L596 HydrophobicContact CD1-CD2 3.81Å
529	R	97.7	Very high	92	Very high	82 Å²	82	28.7 Å²	28.7	31%	0.309	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137	170.5	-176.2	178.2	-173.9	-174.8	-1.2	109.6	G32 L551 D575 W581	G32-R529 PolarHBondContact O-NE 2.8Å; R529-L551 HydrophobicContact CB-CB 4.29Å; R529-L551 PolarHBondContact N-O 3.01Å; R529-L551 WeakPolarHBondContact O-CB 3.32Å; R529-L551 PolarHBondContact O-N 3.41Å; R529-D575 IonicContact NH1-OD2 3.32Å; R529-W581 HydrophobicContact CB-CE3 4.18Å; R529-W581 HydrophobicContact CB-CH2 3.51Å; R529-W581 HydrophobicContact CB-CZ2 4.15Å; R529-W581 HydrophobicContact CB-CZ3 3.53Å
530	L	97.8	Very high	92.2	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.4	172.1	-62.4	-178.3	0	0	0	109	P540 P546 E549 I550 M590	L530-P540 HydrophobicContact CB-CB 3.97Å; L530-P540 WeakPolarHBondContact O-CB 3.44Å; L530-P546 HydrophobicContact CD1-CB 3.74Å; L530-P546 WeakPolarHBondContact CD1-O 3.42Å; L530-E549 WeakPolarHBondContact CA-O 3.46Å; L530-I550 HydrophobicContact CD2-CG1 4.11Å; L530-M590 HydrophobicContact CD1-CB 4.07Å
531	R	96	Very high	92.4	Very high	78 Å²	78	35.1 Å²	35.1	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.1	173.9	174.4	167.5	69.3	-171.2	1.5	109.4	G548 E549 L551 C583	R531-G548 CarbonylContact O-C 3.52Å; R531-G548 WeakPolarHBondContact O-CA 3.37Å; R531-E549 HydrophobicContact CB-CB 4.28Å; R531-E549 IonicContact CZ-OE1 2.79Å; R531-E549 IonicContact CZ-OE2 3.7Å; R531-E549 PolarHBondContact N-O 3.41Å; R531-E549 IonicContact NE-OE2 3.69Å; R531-E549 PolarHBondContact NE-OE2 3.03Å; R531-E549 IonicContact NH2-OE1 3.99Å; R531-E549 PolarHBondContact NH2-OE1 2.94Å; R531-E549 IonicContact NH2-OE2 2.83Å; R531-E549 PolarHBondContact NH2-OE2 3.34Å; R531-E549 PolarHBondContact O-N 3.04Å; R531-L551 HydrophobicContact CB-CD1 3.85Å; R531-L551 HydrophobicContact CB-CD2 4.36Å; R531-L551 HydrophobicContact CB-CG 3.97Å; R531-C583 PolarHBondContact NH1-SG 2.75Å; R531-C583 PolarHBondContact NH2-SG 3.31Å; R531-C583 VanDerWaalsContact NH2-SG 3.4Å
532	A	94.5	Very high	92.2	Very high	47 Å²	47	37 Å²	37	39%	0.388	20%	0.198	S	C	.	.			trans	-55.6	140	173.6	0	0	0	0	0	110.5	P540	A532-P540 HydrophobicContact CB-CG 4.35Å
533	W	89.3	Confident	91.9	Very high	31 Å²	31	43.3 Å²	43.3	12%	0.117	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-136.1	85.8	173.8	-174	39	0	0	0	109.3	E535 G536 G537 Y538 I587 K602 L605	W533-E535 HydrophobicContact CZ2-CB 4.45Å; W533-E535 PolarHBondContact NE1-OE2 2.63Å; W533-E535 VanDerWaalsContact NE1-OE2 3.08Å; W533-E535 PolarHBondContact O-N 3.28Å; W533-G536 PolarHBondContact O-N 3.14Å; W533-G536 VanDerWaalsContact O-N 3.12Å; W533-G537 PolarHBondContact O-N 2.94Å; W533-Y538 CarbonylContact C-O 3.58Å; W533-Y538 AromaticContact CE3-CD2 3.82Å; W533-Y538 HydrophobicContact CE3-CD2 3.82Å; W533-Y538 HydrophobicContact CE3-CE2 4.23Å; W533-Y538 HydrophobicContact CZ3-CD2 4.26Å; W533-Y538 HydrophobicContact CZ3-CE2 4.2Å; W533-Y538 PolarHBondContact N-O 3.3Å; W533-Y538 PolarHBondContact O-N 3.18Å; W533-I587 HydrophobicContact CE3-CD1 3.78Å; W533-I587 HydrophobicContact CE3-CG1 4.38Å; W533-I587 HydrophobicContact CZ3-CD1 4.15Å; W533-I587 HydrophobicContact CZ3-CG1 4.35Å; W533-K602 HydrophobicContact CD2-CD 4.37Å; W533-K602 VanDerWaalsContact CD2-CE 3.44Å; W533-K602 HydrophobicContact CD2-CG 4.25Å; W533-K602 VanDerWaalsContact CE2-CE 3.49Å; W533-K602 HydrophobicContact CE3-CD 4.47Å; W533-K602 HydrophobicContact CE3-CG 3.92Å; W533-K602 HydrophobicContact CH2-CB 4.17Å; W533-K602 HydrophobicContact CH2-CG 4.16Å; W533-K602 HydrophobicContact CZ2-CG 4.49Å; W533-K602 HydrophobicContact CZ3-CB 4.27Å; W533-K602 HydrophobicContact CZ3-CG 3.82Å; W533-L605 HydrophobicContact CE3-CD1 4.39Å; W533-L605 HydrophobicContact CH2-CB 3.81Å; W533-L605 HydrophobicContact CH2-CD1 3.61Å; W533-L605 HydrophobicContact CH2-CG 4.36Å; W533-L605 HydrophobicContact CZ3-CB 4.31Å; W533-L605 HydrophobicContact CZ3-CD1 3.22Å; W533-L605 HydrophobicContact CZ3-CG 4.39Å
534	P	84.7	Confident	91.5	Very high	103 Å²	103	48 Å²	48	67%	0.669	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58.3	-35.5	-174.3	-25.8	35.5	0	0	0	113.2	G536 G537	P534-G536 VanDerWaalsContact C-N 3.29Å; P534-G536 PolarHBondContact O-N 2.8Å; P534-G537 PolarHBondContact O-N 3.3Å; P534-G537 VanDerWaalsContact O-N 3.09Å
535	E	78.5	Confident	91.4	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.6	-37.2	179.3	-59.8	79.3	-175.4	0	0	111.5	W533 Y613	W533-E535 HydrophobicContact CZ2-CB 4.45Å; W533-E535 PolarHBondContact NE1-OE2 2.63Å; W533-E535 VanDerWaalsContact NE1-OE2 3.08Å; W533-E535 PolarHBondContact O-N 3.28Å; E535-Y613 WeakPolarHBondContact O-CD2 3.27Å; E535-Y613 WeakPolarHBondContact O-CE2 3.49Å; E535-Y613 PolarHBondContact O-OH 3.35Å
536	G	78.3	Confident	91.4	Very high	14 Å²	14	49.3 Å²	49.3	14%	0.144	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-85.8	-4.1	175.4	0	0	0	0	0	114.5	W533 P534 Y538	W533-G536 PolarHBondContact O-N 3.14Å; W533-G536 VanDerWaalsContact O-N 3.12Å; P534-G536 VanDerWaalsContact C-N 3.29Å; P534-G536 PolarHBondContact O-N 2.8Å; G536-Y538 VanDerWaalsContact O-CD2 3.29Å; G536-Y538 WeakPolarHBondContact O-CD2 3.35Å; G536-Y538 WeakPolarHBondContact O-CE2 3.46Å
537	G	81.2	Confident	91.3	Very high	49 Å²	49	53.1 Å²	53.1	51%	0.505	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	27	-176.6	0	0	0	0	0	114.7	W533 P534 R547	W533-G537 PolarHBondContact O-N 2.94Å; P534-G537 PolarHBondContact O-N 3.3Å; P534-G537 VanDerWaalsContact O-N 3.09Å; G537-R547 PolarHBondContact O-NH2 3.39Å
538	Y	90.1	Very high	91.2	Very high	33 Å²	33	52.6 Å²	52.6	13%	0.129	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-110.9	131	178.8	-57.5	-74.4	0	0	0	111.7	W533 G536 R547 I587 I599 D600 L605	W533-Y538 CarbonylContact C-O 3.58Å; W533-Y538 AromaticContact CE3-CD2 3.82Å; W533-Y538 HydrophobicContact CE3-CD2 3.82Å; W533-Y538 HydrophobicContact CE3-CE2 4.23Å; W533-Y538 HydrophobicContact CZ3-CD2 4.26Å; W533-Y538 HydrophobicContact CZ3-CE2 4.2Å; W533-Y538 PolarHBondContact N-O 3.3Å; W533-Y538 PolarHBondContact O-N 3.18Å; G536-Y538 VanDerWaalsContact O-CD2 3.29Å; G536-Y538 WeakPolarHBondContact O-CD2 3.35Å; G536-Y538 WeakPolarHBondContact O-CE2 3.46Å; Y538-R547 HydrophobicContact CD1-CB 3.92Å; Y538-I587 HydrophobicContact CD1-CG2 3.95Å; Y538-I587 HydrophobicContact CD2-CG1 4.46Å; Y538-I587 HydrophobicContact CD2-CG2 4.02Å; Y538-I587 HydrophobicContact CE1-CG2 4.08Å; Y538-I587 HydrophobicContact CE2-CG1 4.39Å; Y538-I587 HydrophobicContact CE2-CG2 4.15Å; Y538-I587 HydrophobicContact CG-CG2 3.91Å; Y538-I599 HydrophobicContact CD1-CD1 4.28Å; Y538-I599 HydrophobicContact CE1-CD1 3.84Å; Y538-D600 PolarHBondContact OH-OD2 3.15Å; Y538-D600 VanDerWaalsContact OH-OD2 3.05Å; Y538-L605 HydrophobicContact CE2-CD1 3.83Å
539	S	92.7	Very high	91.1	Very high	34 Å²	34	52.9 Å²	52.9	24%	0.238	29%	0.289	C	S	.	.			trans	-132.6	136.8	178.5	-179.3	0	0	0	0	112	Y541 D542 R547	S539-Y541 PolarHBondContact O-N 3.27Å; S539-Y541 PolarHBondContact OG-N 2.76Å; S539-D542 WeakPolarHBondContact CB-OD1 3.43Å; S539-D542 PolarHBondContact N-OD2 2.89Å; S539-D542 VanDerWaalsContact O-CB 3.29Å; S539-D542 WeakPolarHBondContact O-CB 3.28Å; S539-D542 PolarHBondContact O-N 2.89Å; S539-R547 CarbonylContact C-O 3.5Å; S539-R547 WeakPolarHBondContact CA-O 3.45Å; S539-R547 PolarHBondContact N-O 2.94Å; S539-R547 PolarHBondContact O-N 2.95Å; S539-R547 VanDerWaalsContact O-N 3.08Å
540	P	95.5	Very high	91.1	Very high	5 Å²	5	49 Å²	49	3%	0.032	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-8.9	173.3	29	-35.9	0	0	0	112.2	P31 L530 A532 P546 R547	P31-P540 VanDerWaalsContact CB-O 3.3Å; P31-P540 WeakPolarHBondContact CB-O 3.4Å; P31-P540 VanDerWaalsContact CG-O 3.22Å; P31-P540 WeakPolarHBondContact CG-O 3.32Å; L530-P540 HydrophobicContact CB-CB 3.97Å; L530-P540 WeakPolarHBondContact O-CB 3.44Å; A532-P540 HydrophobicContact CB-CG 4.35Å; P540-P546 VanDerWaalsContact O-CB 3.32Å; P540-P546 WeakPolarHBondContact O-CB 3.12Å; P540-R547 WeakPolarHBondContact CA-O 3.27Å
541	Y	96.2	Very high	91.1	Very high	139 Å²	139	49.2 Å²	49.2	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	7.7	175.6	-54.2	-71.6	0	0	0	113.1	D30 P31 S539	D30-Y541 WeakPolarHBondContact OD1-CE1 3.44Å; D30-Y541 PolarHBondContact OD1-OH 2.77Å; P31-Y541 HydrophobicContact CG-CD1 3.87Å; P31-Y541 HydrophobicContact CG-CE1 4.31Å; S539-Y541 PolarHBondContact O-N 3.27Å; S539-Y541 PolarHBondContact OG-N 2.76Å
542	D	90.2	Very high	91.2	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.203	26%	0.262	C	S	.	.			trans	-61.7	141.9	171.7	-70.9	-25.1	0	0	0	110.7	S539 S545 R547	S539-D542 WeakPolarHBondContact CB-OD1 3.43Å; S539-D542 PolarHBondContact N-OD2 2.89Å; S539-D542 VanDerWaalsContact O-CB 3.29Å; S539-D542 WeakPolarHBondContact O-CB 3.28Å; S539-D542 PolarHBondContact O-N 2.89Å; D542-S545 CarbonylContact O-C 3.48Å; D542-R547 IonicContact OD1-NH2 2.73Å; D542-R547 IonicContact OD2-CZ 3.01Å; D542-R547 IonicContact OD2-NE 3.94Å; D542-R547 PolarHBondContact OD2-NE 2.8Å; D542-R547 IonicContact OD2-NH2 2.68Å; D542-R547 PolarHBondContact OD2-NH2 2.86Å
543	T	89.6	Confident	91.4	Very high	134 Å²	134	43.9 Å²	43.9	82%	0.822	25%	0.247	S	C	*	.	S	Bend	trans	-119.5	147.3	179	56.1	0	0	0	0	111.4	S545	T543-S545 VanDerWaalsContact C-N 3.34Å
544	P	88.3	Confident	91.7	Very high	100 Å²	100	43.4 Å²	43.4	65%	0.649	25%	0.253	S	S	*	.	S	Bend	cis	-75.7	-15.2	-3.4	32.4	-35.8	0	0	0	114	T592	P544-T592 HydrophobicContact CB-CG2 4.32Å
545	S	91.7	Very high	92.3	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	24%	0.237	C	C	.	.	S	Bend	trans	-114.5	114.7	-172.4	-47.7	0	0	0	0	111.3	D542 T543 M590	D542-S545 CarbonylContact O-C 3.48Å; T543-S545 VanDerWaalsContact C-N 3.34Å; S545-M590 WeakPolarHBondContact CA-O 3.31Å; S545-M590 WeakPolarHBondContact CB-O 3.32Å
546	P	95.5	Very high	93.2	Very high	9 Å²	9	37 Å²	37	6%	0.058	21%	0.212	C	C	.	.			trans	-55.1	140.3	174.5	-32.7	39.8	0	0	0	113.3	P31 W35 L530 P540 L589 M590	P31-P546 HydrophobicContact CB-CB 4.26Å; P31-P546 HydrophobicContact CB-CG 3.59Å; P31-P546 HydrophobicContact CG-CG 4.47Å; W35-P546 HydrophobicContact CZ2-CG 4.2Å; L530-P546 HydrophobicContact CD1-CB 3.74Å; L530-P546 WeakPolarHBondContact CD1-O 3.42Å; P540-P546 VanDerWaalsContact O-CB 3.32Å; P540-P546 WeakPolarHBondContact O-CB 3.12Å; P546-L589 CarbonylContact O-C 3.19Å; P546-L589 WeakPolarHBondContact O-CA 3.4Å; P546-M590 HydrophobicContact CB-CB 4.27Å; P546-M590 WeakPolarHBondContact CD-O 3.33Å; P546-M590 PolarHBondContact O-N 3.02Å
547	R	93.9	Very high	94.1	Very high	80 Å²	80	36.7 Å²	36.7	30%	0.302	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.1	178.2	-59.1	176.1	-59.2	169	7	112.5	G537 Y538 S539 P540 D542 G588 L589 I599	G537-R547 PolarHBondContact O-NH2 3.39Å; Y538-R547 HydrophobicContact CD1-CB 3.92Å; S539-R547 CarbonylContact C-O 3.5Å; S539-R547 WeakPolarHBondContact CA-O 3.45Å; S539-R547 PolarHBondContact N-O 2.94Å; S539-R547 PolarHBondContact O-N 2.95Å; S539-R547 VanDerWaalsContact O-N 3.08Å; P540-R547 WeakPolarHBondContact CA-O 3.27Å; D542-R547 IonicContact OD1-NH2 2.73Å; D542-R547 IonicContact OD2-CZ 3.01Å; D542-R547 IonicContact OD2-NE 3.94Å; D542-R547 PolarHBondContact OD2-NE 2.8Å; D542-R547 IonicContact OD2-NH2 2.68Å; D542-R547 PolarHBondContact OD2-NH2 2.86Å; R547-G588 CarbonylContact C-O 3.5Å; R547-G588 VanDerWaalsContact CA-O 3.26Å; R547-G588 WeakPolarHBondContact CA-O 3.25Å; R547-L589 HydrophobicContact CG-CB 4.23Å; R547-L589 HydrophobicContact CG-CD1 4.16Å; R547-L589 HydrophobicContact CG-CG 4.22Å; R547-I599 HydrophobicContact CG-CD1 4.2Å
548	G	94.8	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	-179.2	174.9	0	0	0	0	0	112.8	R531 I550 I587 G588	R531-G548 CarbonylContact O-C 3.52Å; R531-G548 WeakPolarHBondContact O-CA 3.37Å; G548-I550 PolarHBondContact O-N 2.96Å; G548-I587 CarbonylContact O-C 3.53Å; G548-I587 WeakPolarHBondContact O-CA 3.36Å; G548-G588 PolarHBondContact N-O 2.89Å; G548-G588 PolarHBondContact O-N 2.87Å
549	E	96.3	Very high	95.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.033	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.5	174.3	179.7	-178.5	-170.8	0	0	110.4	L530 R531 L551 D586 I587 K602	L530-E549 WeakPolarHBondContact CA-O 3.46Å; R531-E549 HydrophobicContact CB-CB 4.28Å; R531-E549 IonicContact CZ-OE1 2.79Å; R531-E549 IonicContact CZ-OE2 3.7Å; R531-E549 PolarHBondContact N-O 3.41Å; R531-E549 IonicContact NE-OE2 3.69Å; R531-E549 PolarHBondContact NE-OE2 3.03Å; R531-E549 IonicContact NH2-OE1 3.99Å; R531-E549 PolarHBondContact NH2-OE1 2.94Å; R531-E549 IonicContact NH2-OE2 2.83Å; R531-E549 PolarHBondContact NH2-OE2 3.34Å; R531-E549 PolarHBondContact O-N 3.04Å; E549-L551 HydrophobicContact CG-CD2 4.29Å; E549-L551 PolarHBondContact O-N 2.7Å; E549-D586 WeakPolarHBondContact CA-O 3.45Å; E549-I587 HydrophobicContact CB-CD1 4.01Å; E549-K602 HydrophobicContact CB-CD 4.15Å; E549-K602 VanDerWaalsContact CD-CD 3.4Å; E549-K602 HydrophobicContact CG-CD 3.9Å; E549-K602 IonicContact OE1-NZ 2.68Å; E549-K602 WeakPolarHBondContact OE2-CD 3.34Å; E549-K602 IonicContact OE2-NZ 3.44Å; E549-K602 PolarHBondContact OE2-NZ 3.32Å
550	I	98.1	Very high	95.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.8	179.7	-63.2	158.7	0	0	0	108.8	Y497 I528 L530 G548 L552 T584 D586 L596 I598	Y497-I550 HydrophobicContact CE1-CD1 4.16Å; Y497-I550 HydrophobicContact CE1-CG2 4.05Å; I528-I550 HydrophobicContact CG2-CG2 3.99Å; L530-I550 HydrophobicContact CD2-CG1 4.11Å; G548-I550 PolarHBondContact O-N 2.96Å; I550-L552 HydrophobicContact CG2-CD2 3.74Å; I550-L552 HydrophobicContact CG2-CG 4.23Å; I550-T584 HydrophobicContact CB-CG2 4.36Å; I550-T584 WeakPolarHBondContact CB-OG1 3.42Å; I550-T584 HydrophobicContact CG2-CG2 4.07Å; I550-T584 WeakPolarHBondContact O-CB 3.43Å; I550-T584 VanDerWaalsContact O-CG2 3.28Å; I550-T584 WeakPolarHBondContact O-CG2 3.39Å; I550-T584 PolarHBondContact O-N 2.68Å; I550-T584 PolarHBondContact O-OG1 2.88Å; I550-D586 HydrophobicContact CD1-CB 4.31Å; I550-D586 PolarHBondContact N-O 3.13Å; I550-L596 HydrophobicContact CD1-CD1 4.24Å; I550-L596 HydrophobicContact CD1-CD2 4Å; I550-L596 HydrophobicContact CD1-CG 4.48Å; I550-L596 HydrophobicContact CG1-CD1 4.26Å; I550-L596 HydrophobicContact CG1-CD2 4.5Å; I550-I598 HydrophobicContact CD1-CG1 4.14Å
551	L	98.4	Very high	95.5	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.6	167.9	-53.1	-171.4	0	0	0	109.6	I528 R529 R531 E549 W581 F582 C583	I528-L551 CarbonylContact C-O 3.5Å; I528-L551 WeakPolarHBondContact CA-O 3.12Å; R529-L551 HydrophobicContact CB-CB 4.29Å; R529-L551 PolarHBondContact N-O 3.01Å; R529-L551 WeakPolarHBondContact O-CB 3.32Å; R529-L551 PolarHBondContact O-N 3.41Å; R531-L551 HydrophobicContact CB-CD1 3.85Å; R531-L551 HydrophobicContact CB-CD2 4.36Å; R531-L551 HydrophobicContact CB-CG 3.97Å; E549-L551 HydrophobicContact CG-CD2 4.29Å; E549-L551 PolarHBondContact O-N 2.7Å; L551-W581 HydrophobicContact CB-CB 4.31Å; L551-W581 HydrophobicContact CB-CD2 4.19Å; L551-W581 HydrophobicContact CB-CE3 3.59Å; L551-W581 HydrophobicContact CB-CZ3 4.27Å; L551-W581 HydrophobicContact CD1-CB 4.41Å; L551-W581 HydrophobicContact CD1-CG 4.46Å; L551-F582 VanDerWaalsContact CA-O 3.31Å; L551-F582 WeakPolarHBondContact CA-O 3.25Å; L551-C583 HydrophobicContact CD2-CB 3.9Å
552	L	98.5	Very high	95.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.4	178.7	-56.9	-179.3	0	0	0	110.5	L526 I528 I550 V557 W581 F582 T584	L526-L552 HydrophobicContact CD1-CD2 4.29Å; I528-L552 HydrophobicContact CD1-CD2 3.97Å; I528-L552 HydrophobicContact CG1-CD2 3.67Å; I550-L552 HydrophobicContact CG2-CD2 3.74Å; I550-L552 HydrophobicContact CG2-CG 4.23Å; L552-V557 HydrophobicContact CB-CG2 4.24Å; L552-W581 CarbonylContact O-C 3.54Å; L552-W581 WeakPolarHBondContact O-CA 3.37Å; L552-F582 HydrophobicContact CD1-CD1 4.35Å; L552-F582 PolarHBondContact N-O 2.88Å; L552-F582 PolarHBondContact O-N 2.86Å; L552-T584 HydrophobicContact CD1-CG2 3.91Å; L552-T584 HydrophobicContact CG-CG2 3.87Å
553	S	97.9	Very high	95.7	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.8	173.8	166.2	0	0	0	0	110.1	L526 Q527 T579 R580 W581	L526-S553 CarbonylContact C-O 3.48Å; L526-S553 VanDerWaalsContact CA-O 3.28Å; L526-S553 WeakPolarHBondContact CA-O 3.36Å; L526-S553 VanDerWaalsContact CB-O 3.28Å; L526-S553 WeakPolarHBondContact CB-O 3.34Å; Q527-S553 WeakPolarHBondContact CG-O 3.44Å; Q527-S553 PolarHBondContact N-O 2.76Å; Q527-S553 PolarHBondContact O-N 3.1Å; S553-T579 WeakPolarHBondContact OG-CG2 3.27Å; S553-R580 VanDerWaalsContact CB-O 3.27Å; S553-R580 WeakPolarHBondContact CB-O 3.25Å; S553-R580 PolarHBondContact OG-O 3.33Å; S553-W581 VanDerWaalsContact CB-CZ3 3.45Å
554	G	96.6	Very high	96	Very high	22 Å²	22	31.3 Å²	31.3	23%	0.227	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.7	175.3	179.5	0	0	0	0	0	111.4	P556 V557	G554-P556 VanDerWaalsContact C-CD 3.43Å; G554-P556 VanDerWaalsContact C-N 3.34Å; G554-V557 WeakPolarHBondContact O-CB 3.42Å; G554-V557 WeakPolarHBondContact O-CG2 3.36Å; G554-V557 PolarHBondContact O-N 3.07Å; G554-V557 VanDerWaalsContact O-N 3.1Å
555	K	96.3	Very high	96.3	Very high	76 Å²	76	31.2 Å²	31.2	33%	0.33	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.5	-179.1	-60.2	-147.5	-169.8	173.5	0	114.8	S46 E323 N324 S327 V557	S46-K555 WeakPolarHBondContact OG-CE 3.31Å; S46-K555 PolarHBondContact OG-NZ 3.21Å; E323-K555 VanDerWaalsContact CD-CD 3.5Å; E323-K555 HydrophobicContact CG-CD 3.89Å; E323-K555 VanDerWaalsContact OE1-CD 3.26Å; E323-K555 WeakPolarHBondContact OE1-CD 3.38Å; E323-K555 WeakPolarHBondContact OE1-CE 3.32Å; E323-K555 IonicContact OE1-NZ 3.64Å; E323-K555 PolarHBondContact OE1-NZ 2.88Å; N324-K555 VanDerWaalsContact CA-O 3.32Å; N324-K555 WeakPolarHBondContact CA-O 3.39Å; N324-K555 PolarHBondContact ND2-O 3.03Å; S327-K555 VanDerWaalsContact OG-CB 3.25Å; S327-K555 WeakPolarHBondContact OG-CB 3.39Å; S327-K555 PolarHBondContact OG-O 2.66Å; K555-V557 PolarHBondContact O-N 3.14Å
556	P	97	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	173.8	-24.7	35.3	0	0	0	114.6	A328 S502 C503 T505 T525 G554 S558	A328-P556 HydrophobicContact CB-CB 4.19Å; S502-P556 CarbonylContact C-O 3.58Å; S502-P556 WeakPolarHBondContact CA-O 3.15Å; C503-P556 HydrophobicContact CB-CB 4.41Å; C503-P556 PolarHBondContact SG-O 3.25Å; T505-P556 HydrophobicContact CG2-CB 4.28Å; T505-P556 HydrophobicContact CG2-CG 4.08Å; T525-P556 VanDerWaalsContact O-CD 3.32Å; T525-P556 WeakPolarHBondContact O-CD 3.28Å; T525-P556 WeakPolarHBondContact OG1-CG 3.38Å; G554-P556 VanDerWaalsContact C-CD 3.43Å; G554-P556 VanDerWaalsContact C-N 3.34Å; P556-S558 PolarHBondContact O-N 3.47Å
557	V	98.2	Very high	96.4	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	19%	0.188	C	C	.	.	S	Bend	trans	-70.8	121.1	179.8	-178.6	0	0	0	0	109.9	N324 L552 G554 K555 F572 F582	N324-V557 PolarHBondContact ND2-O 2.73Å; L552-V557 HydrophobicContact CB-CG2 4.24Å; G554-V557 WeakPolarHBondContact O-CB 3.42Å; G554-V557 WeakPolarHBondContact O-CG2 3.36Å; G554-V557 PolarHBondContact O-N 3.07Å; G554-V557 VanDerWaalsContact O-N 3.1Å; K555-V557 PolarHBondContact O-N 3.14Å; V557-F572 HydrophobicContact CG1-CD1 3.99Å; V557-F572 HydrophobicContact CG1-CE1 3.75Å; V557-F582 HydrophobicContact CG1-CB 3.7Å
558	S	98.2	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.			trans	-58.6	162.9	-179.5	64.6	0	0	0	0	113.5	E319 E501 P556 G560 F572 R580	E319-S558 VanDerWaalsContact O-CB 3.27Å; E319-S558 WeakPolarHBondContact O-CB 3.4Å; E501-S558 WeakPolarHBondContact CA-OG 3.42Å; E501-S558 VanDerWaalsContact O-CB 3.22Å; E501-S558 WeakPolarHBondContact O-CB 3.44Å; E501-S558 PolarHBondContact O-N 3.39Å; E501-S558 PolarHBondContact O-OG 2.74Å; P556-S558 PolarHBondContact O-N 3.47Å; S558-G560 VanDerWaalsContact C-N 3.27Å; S558-G560 PolarHBondContact O-N 3Å; S558-F572 WeakPolarHBondContact OG-CZ 3.5Å; S558-R580 PolarHBondContact O-NH1 2.88Å; S558-R580 PolarHBondContact O-NH2 3.38Å; S558-R580 VanDerWaalsContact O-NH2 3.15Å
559	R	96.8	Very high	96.7	Very high	136 Å²	136	40 Å²	40	51%	0.513	21%	0.207	S	C	.	.			trans	-67.9	-26.5	177.1	-77.9	-177.9	60.4	170.5	-3.1	113.3	E319 T321 R580	E319-R559 HydrophobicContact CB-CB 3.98Å; E319-R559 PolarHBondContact O-N 3.12Å; T321-R559 HydrophobicContact CG2-CG 3.76Å; R559-R580 VanDerWaalsContact C-NH2 3.28Å; R559-R580 PolarHBondContact O-NH2 3.5Å
560	G	97.1	Very high	96.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.8	-151.5	-176.3	0	0	0	0	0	112.2	E319 S558	E319-G560 PolarHBondContact N-O 2.8Å; S558-G560 VanDerWaalsContact C-N 3.27Å; S558-G560 PolarHBondContact O-N 3Å
561	Y	96.5	Very high	96.5	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.3	178.8	-52.1	-67.2	0	0	0	110.6	K316 G317 V318 E501 K563 Q564 L567 T568 D571 F572	K316-Y561 HydrophobicContact CB-CD1 4.36Å; G317-Y561 CarbonylContact O-C 3.56Å; G317-Y561 VanDerWaalsContact O-CA 3.31Å; G317-Y561 WeakPolarHBondContact O-CA 3.37Å; V318-Y561 HydrophobicContact CG2-CD1 4.17Å; V318-Y561 HydrophobicContact CG2-CE1 4.23Å; E501-Y561 HydrophobicContact CG-CE1 3.86Å; E501-Y561 WeakPolarHBondContact OE1-CE1 3.17Å; Y561-K563 PolarHBondContact O-N 3.29Å; Y561-Q564 PolarHBondContact O-N 2.74Å; Y561-Q564 VanDerWaalsContact O-N 3.12Å; Y561-L567 HydrophobicContact CD2-CB 3.88Å; Y561-L567 HydrophobicContact CD2-CD2 3.55Å; Y561-L567 HydrophobicContact CD2-CG 3.57Å; Y561-L567 HydrophobicContact CE2-CB 4.33Å; Y561-L567 HydrophobicContact CE2-CD2 3.74Å; Y561-L567 HydrophobicContact CE2-CG 3.61Å; Y561-L567 HydrophobicContact CG-CD2 3.97Å; Y561-L567 HydrophobicContact CG-CG 4.46Å; Y561-T568 PolarHBondContact N-OG1 2.86Å; Y561-T568 PolarHBondContact O-OG1 3.08Å; Y561-D571 HydrophobicContact CE2-CB 3.93Å; Y561-D571 VanDerWaalsContact CE2-OD2 3.3Å; Y561-D571 WeakPolarHBondContact CE2-OD2 3.31Å; Y561-D571 PolarHBondContact OH-OD2 2.85Å; Y561-F572 HydrophobicContact CD2-CE2 4.31Å; Y561-F572 HydrophobicContact CE2-CD2 4.45Å; Y561-F572 AromaticContact CE2-CE2 3.89Å; Y561-F572 HydrophobicContact CE2-CE2 3.89Å
562	Y	95.9	Very high	96.5	Very high	28 Å²	28	47 Å²	47	11%	0.11	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	125.9	-177.4	-173.3	-103.8	0	0	0	110.7	E173 T174 I305 G317 E319 Q564	E173-Y562 HydrophobicContact CG-CD1 4.07Å; E173-Y562 HydrophobicContact CG-CE1 4.37Å; E173-Y562 WeakPolarHBondContact O-CE1 3.48Å; T174-Y562 HydrophobicContact CG2-CE1 4.34Å; I305-Y562 HydrophobicContact CD1-CD1 4.46Å; I305-Y562 HydrophobicContact CD1-CD2 3.51Å; I305-Y562 HydrophobicContact CD1-CE1 4.46Å; I305-Y562 HydrophobicContact CD1-CE2 3.51Å; I305-Y562 HydrophobicContact CD1-CG 4.02Å; I305-Y562 HydrophobicContact CG1-CD2 4.07Å; I305-Y562 HydrophobicContact CG1-CG 4.48Å; I305-Y562 HydrophobicContact CG2-CG 4.12Å; G317-Y562 PolarHBondContact O-N 3.37Å; E319-Y562 HydrophobicContact CG-CD2 4.12Å; E319-Y562 WeakPolarHBondContact OE1-CD2 3.37Å; Y562-Q564 WeakPolarHBondContact O-CG 3.41Å; Y562-Q564 PolarHBondContact O-N 3.41Å
563	K	95	Very high	96.4	Very high	97 Å²	97	49.6 Å²	49.6	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	21.8	-177	-65.6	-177.5	178.6	172.5	0	115.2	E173 E175 Y561 P565	E173-K563 HydrophobicContact CG-CD 4.39Å; E173-K563 WeakPolarHBondContact O-CD 3.35Å; E173-K563 WeakPolarHBondContact O-CE 3.44Å; E173-K563 PolarHBondContact O-NZ 2.91Å; E175-K563 IonicContact OE1-NZ 2.72Å; E175-K563 PolarHBondContact OE1-NZ 3.48Å; E175-K563 IonicContact OE2-NZ 3.29Å; Y561-K563 PolarHBondContact O-N 3.29Å; K563-P565 WeakPolarHBondContact O-CD 3.18Å
564	Q	94.5	Very high	96.4	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.224	27%	0.271	C	S	.	.			trans	-127.4	69.7	-179.7	-67.5	177.7	49.9	0	0	111.3	E173 Y561 Y562 E566 L567 T568	E173-Q564 PolarHBondContact OE1-NE2 3.13Å; Y561-Q564 PolarHBondContact O-N 2.74Å; Y561-Q564 VanDerWaalsContact O-N 3.12Å; Y562-Q564 WeakPolarHBondContact O-CG 3.41Å; Y562-Q564 PolarHBondContact O-N 3.41Å; Q564-E566 PolarHBondContact O-N 3.39Å; Q564-L567 HydrophobicContact CB-CB 4.08Å; Q564-L567 PolarHBondContact O-N 3.06Å; Q564-L567 VanDerWaalsContact OE1-CD2 3.24Å; Q564-T568 WeakPolarHBondContact O-CB 3.19Å; Q564-T568 PolarHBondContact O-N 2.91Å; Q564-T568 PolarHBondContact O-OG1 2.92Å
565	P	96.2	Very high	96.3	Very high	97 Å²	97	54 Å²	54	63%	0.63	27%	0.269	S	S	*	.	H	α-helix	trans	-66.1	-36.7	-174.2	25.9	-34.5	0	0	0	113.4	K563 T568 A569	K563-P565 WeakPolarHBondContact O-CD 3.18Å; P565-T568 PolarHBondContact O-N 2.93Å; P565-A569 WeakPolarHBondContact O-CB 3.5Å; P565-A569 PolarHBondContact O-N 3.18Å
566	E	95.6	Very high	96.1	Very high	171 Å²	171	60 Å²	60	80%	0.799	30%	0.298	S	S	*	.	H	α-helix	trans	-65.7	-44.7	178.3	-63.6	179.6	-178	0	0	111.5	Q564 T568 A569 R570	Q564-E566 PolarHBondContact O-N 3.39Å; E566-T568 VanDerWaalsContact C-N 3.29Å; E566-T568 PolarHBondContact O-N 2.97Å; E566-A569 PolarHBondContact O-N 3.38Å; E566-R570 PolarHBondContact O-N 2.84Å
567	L	92.8	Very high	95.8	Very high	27 Å²	27	65.7 Å²	65.7	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-39.1	176.3	-166.3	71.6	0	0	0	111	K316 Y561 Q564 R570 D571	K316-L567 HydrophobicContact CD-CD2 3.65Å; K316-L567 HydrophobicContact CG-CD2 4.36Å; Y561-L567 HydrophobicContact CD2-CB 3.88Å; Y561-L567 HydrophobicContact CD2-CD2 3.55Å; Y561-L567 HydrophobicContact CD2-CG 3.57Å; Y561-L567 HydrophobicContact CE2-CB 4.33Å; Y561-L567 HydrophobicContact CE2-CD2 3.74Å; Y561-L567 HydrophobicContact CE2-CG 3.61Å; Y561-L567 HydrophobicContact CG-CD2 3.97Å; Y561-L567 HydrophobicContact CG-CG 4.46Å; Q564-L567 HydrophobicContact CB-CB 4.08Å; Q564-L567 PolarHBondContact O-N 3.06Å; Q564-L567 VanDerWaalsContact OE1-CD2 3.24Å; L567-R570 PolarHBondContact O-N 2.85Å; L567-D571 PolarHBondContact O-N 2.98Å; L567-D571 VanDerWaalsContact O-N 3.08Å
568	T	96.9	Very high	95.7	Very high	25 Å²	25	67.9 Å²	67.9	15%	0.153	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-48.1	175.9	-61.1	0	0	0	0	110.8	Y561 Q564 P565 E566 R570 D571 F572	Y561-T568 PolarHBondContact N-OG1 2.86Å; Y561-T568 PolarHBondContact O-OG1 3.08Å; Q564-T568 WeakPolarHBondContact O-CB 3.19Å; Q564-T568 PolarHBondContact O-N 2.91Å; Q564-T568 PolarHBondContact O-OG1 2.92Å; P565-T568 PolarHBondContact O-N 2.93Å; E566-T568 VanDerWaalsContact C-N 3.29Å; E566-T568 PolarHBondContact O-N 2.97Å; T568-R570 PolarHBondContact O-N 3.37Å; T568-D571 PolarHBondContact O-N 2.98Å; T568-F572 HydrophobicContact CG2-CD2 4.01Å; T568-F572 WeakPolarHBondContact O-CA 3.28Å; T568-F572 VanDerWaalsContact O-CB 3.32Å; T568-F572 WeakPolarHBondContact O-CB 3.48Å; T568-F572 WeakPolarHBondContact O-CD2 3.26Å; T568-F572 PolarHBondContact O-N 3.45Å
569	A	97	Very high	95.6	Very high	67 Å²	67	69.9 Å²	69.9	55%	0.554	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-29.3	178.5	0	0	0	0	0	112.8	P565 E566	P565-A569 WeakPolarHBondContact O-CB 3.5Å; P565-A569 PolarHBondContact O-N 3.18Å; E566-A569 PolarHBondContact O-N 3.38Å
570	R	94.5	Very high	95.6	Very high	131 Å²	131	67.2 Å²	67.2	49%	0.494	36%	0.355	S	S	.	.	H	α-helix	trans	-71.4	-47	175.9	-169.3	-164.9	73.3	-158.7	-6.3	112.5	E566 L567 T568	E566-R570 PolarHBondContact O-N 2.84Å; L567-R570 PolarHBondContact O-N 2.85Å; T568-R570 PolarHBondContact O-N 3.37Å
571	D	95.9	Very high	95.7	Very high	20 Å²	20	67.3 Å²	67.3	11%	0.107	36%	0.356	C	S	.	.	H	α-helix	trans	-92.1	-18.4	-172.4	-63.4	-13.8	0	0	0	112.4	Y561 L567 T568 F582 C583	Y561-D571 HydrophobicContact CE2-CB 3.93Å; Y561-D571 VanDerWaalsContact CE2-OD2 3.3Å; Y561-D571 WeakPolarHBondContact CE2-OD2 3.31Å; Y561-D571 PolarHBondContact OH-OD2 2.85Å; L567-D571 PolarHBondContact O-N 2.98Å; L567-D571 VanDerWaalsContact O-N 3.08Å; T568-D571 PolarHBondContact O-N 2.98Å; D571-F582 HydrophobicContact CB-CE2 4.3Å; D571-C583 WeakPolarHBondContact O-CB 3.28Å; D571-C583 PolarHBondContact O-N 2.81Å
572	F	98.2	Very high	95.8	Very high	12 Å²	12	67 Å²	67	5%	0.053	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	105.1	176.9	-59.2	-99.4	0	0	0	110.3	E501 V557 S558 Y561 T568 R580 W581 F582	E501-F572 HydrophobicContact CB-CZ 3.95Å; E501-F572 HydrophobicContact CG-CZ 4.05Å; V557-F572 HydrophobicContact CG1-CD1 3.99Å; V557-F572 HydrophobicContact CG1-CE1 3.75Å; S558-F572 WeakPolarHBondContact OG-CZ 3.5Å; Y561-F572 HydrophobicContact CD2-CE2 4.31Å; Y561-F572 HydrophobicContact CE2-CD2 4.45Å; Y561-F572 AromaticContact CE2-CE2 3.89Å; Y561-F572 HydrophobicContact CE2-CE2 3.89Å; T568-F572 HydrophobicContact CG2-CD2 4.01Å; T568-F572 WeakPolarHBondContact O-CA 3.28Å; T568-F572 VanDerWaalsContact O-CB 3.32Å; T568-F572 WeakPolarHBondContact O-CB 3.48Å; T568-F572 WeakPolarHBondContact O-CD2 3.26Å; T568-F572 PolarHBondContact O-N 3.45Å; F572-R580 VanDerWaalsContact CD1-CZ 3.45Å; F572-W581 CarbonylContact C-O 3.55Å; F572-W581 VanDerWaalsContact CA-O 3.28Å; F572-W581 WeakPolarHBondContact CA-O 3.45Å; F572-F582 HydrophobicContact CD1-CB 3.79Å; F572-F582 AromaticContact CD1-CD2 3.9Å; F572-F582 HydrophobicContact CD1-CD2 3.9Å; F572-F582 HydrophobicContact CD1-CG 4.24Å; F572-F582 HydrophobicContact CD2-CD2 4.31Å; F572-F582 HydrophobicContact CE1-CB 3.75Å; F572-F582 AromaticContact CE1-CD2 3.54Å; F572-F582 HydrophobicContact CE1-CD2 3.54Å; F572-F582 HydrophobicContact CE1-CE2 4.42Å; F572-F582 AromaticContact CE1-CG 3.85Å; F572-F582 HydrophobicContact CE1-CG 3.85Å; F572-F582 AromaticContact CE2-CD2 3.95Å; F572-F582 HydrophobicContact CE2-CD2 3.95Å; F572-F582 HydrophobicContact CE2-CE2 4.25Å; F572-F582 HydrophobicContact CG-CD2 4.3Å; F572-F582 AromaticContact CZ-CD2 3.56Å; F572-F582 HydrophobicContact CZ-CD2 3.56Å; F572-F582 HydrophobicContact CZ-CE2 4.02Å; F572-F582 HydrophobicContact CZ-CG 4.26Å
573	I	97.4	Very high	95.8	Very high	54 Å²	54	66.1 Å²	66.1	28%	0.277	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	156.4	-175.5	65.3	171.9	0	0	0	110.9	R580 W581	I573-R580 CarbonylContact O-C 3.57Å; I573-R580 WeakPolarHBondContact O-CA 3.44Å; I573-W581 HydrophobicContact CG1-CB 4.02Å; I573-W581 PolarHBondContact N-O 2.82Å; I573-W581 PolarHBondContact O-N 3.49Å
574	T	97.1	Very high	95.9	Very high	92 Å²	92	62 Å²	62	56%	0.564	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	130	169.9	-56.4	0	0	0	0	108.6	T579	T574-T579 WeakPolarHBondContact CA-O 3.35Å
575	D	94.7	Very high	95.8	Very high	35 Å²	35	60.4 Å²	60.4	19%	0.187	33%	0.332	C	S	.	.			trans	-82.9	179.8	176.8	70.7	14.6	0	0	0	112.6	R529 D577 G578 T579 W581	R529-D575 IonicContact NH1-OD2 3.32Å; D575-D577 PolarHBondContact O-N 2.69Å; D575-D577 WeakPolarHBondContact OD1-CA 3.34Å; D575-D577 PolarHBondContact OD1-N 3.35Å; D575-G578 PolarHBondContact O-N 2.78Å; D575-G578 PolarHBondContact OD1-N 2.82Å; D575-T579 PolarHBondContact N-O 3.02Å; D575-T579 WeakPolarHBondContact OD1-CB 3.35Å; D575-T579 PolarHBondContact OD1-N 2.87Å; D575-W581 PolarHBondContact OD2-NE1 3.12Å
576	Q	92.5	Very high	95.6	Very high	202 Å²	202	56.6 Å²	56.6	94%	0.944	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.9	-177.8	-60.8	174.6	13.6	0	0	113	G578	Q576-G578 PolarHBondContact O-N 3.22Å
577	D	91.7	Very high	95.4	Very high	119 Å²	119	48.5 Å²	48.5	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	2.7	177.1	-62.7	-40.4	0	0	0	111.6	R27 D575 T579	R27-D577 IonicContact NH2-OD2 2.79Å; D575-D577 PolarHBondContact O-N 2.69Å; D575-D577 WeakPolarHBondContact OD1-CA 3.34Å; D575-D577 PolarHBondContact OD1-N 3.35Å; D577-T579 VanDerWaalsContact C-N 3.27Å; D577-T579 PolarHBondContact O-N 3.2Å
578	G	94.6	Very high	95.4	Very high	55 Å²	55	47.2 Å²	47.2	57%	0.567	26%	0.261	S	S	*	.	S	Bend	trans	77.7	9.7	-177.5	0	0	0	0	0	113.7	D575 Q576	D575-G578 PolarHBondContact O-N 2.78Å; D575-G578 PolarHBondContact OD1-N 2.82Å; Q576-G578 PolarHBondContact O-N 3.22Å
579	T	96.3	Very high	95.2	Very high	41 Å²	41	47.4 Å²	47.4	25%	0.252	26%	0.262	S	S	.	.			trans	-81.9	128.9	179.6	-57.8	0	0	0	0	110	S553 T574 D575 D577 W581	S553-T579 WeakPolarHBondContact OG-CG2 3.27Å; T574-T579 WeakPolarHBondContact CA-O 3.35Å; D575-T579 PolarHBondContact N-O 3.02Å; D575-T579 WeakPolarHBondContact OD1-CB 3.35Å; D575-T579 PolarHBondContact OD1-N 2.87Å; D577-T579 VanDerWaalsContact C-N 3.27Å; D577-T579 PolarHBondContact O-N 3.2Å; T579-W581 HydrophobicContact CG2-CD2 4.42Å; T579-W581 HydrophobicContact CG2-CZ2 3.84Å
580	R	97.2	Very high	95.2	Very high	81 Å²	81	44.2 Å²	44.2	31%	0.306	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.7	178.1	-174	175.4	175.1	-88.2	3.3	111.3	S553 S558 R559 F572 I573	S553-R580 VanDerWaalsContact CB-O 3.27Å; S553-R580 WeakPolarHBondContact CB-O 3.25Å; S553-R580 PolarHBondContact OG-O 3.33Å; S558-R580 PolarHBondContact O-NH1 2.88Å; S558-R580 PolarHBondContact O-NH2 3.38Å; S558-R580 VanDerWaalsContact O-NH2 3.15Å; R559-R580 VanDerWaalsContact C-NH2 3.28Å; R559-R580 PolarHBondContact O-NH2 3.5Å; F572-R580 VanDerWaalsContact CD1-CZ 3.45Å; I573-R580 CarbonylContact O-C 3.57Å; I573-R580 WeakPolarHBondContact O-CA 3.44Å
581	W	98.3	Very high	95.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.3	-175.9	-64.7	95.6	0	0	0	111.7	P34 Q527 R529 L551 L552 S553 F572 I573 D575 T579	P34-W581 HydrophobicContact CB-CH2 3.88Å; P34-W581 HydrophobicContact CB-CZ2 4.44Å; P34-W581 HydrophobicContact CG-CH2 3.71Å; P34-W581 HydrophobicContact CG-CZ2 3.78Å; Q527-W581 HydrophobicContact CG-CH2 3.69Å; Q527-W581 HydrophobicContact CG-CZ3 4.03Å; Q527-W581 VanDerWaalsContact NE2-CH2 3.31Å; R529-W581 HydrophobicContact CB-CE3 4.18Å; R529-W581 HydrophobicContact CB-CH2 3.51Å; R529-W581 HydrophobicContact CB-CZ2 4.15Å; R529-W581 HydrophobicContact CB-CZ3 3.53Å; L551-W581 HydrophobicContact CB-CB 4.31Å; L551-W581 HydrophobicContact CB-CD2 4.19Å; L551-W581 HydrophobicContact CB-CE3 3.59Å; L551-W581 HydrophobicContact CB-CZ3 4.27Å; L551-W581 HydrophobicContact CD1-CB 4.41Å; L551-W581 HydrophobicContact CD1-CG 4.46Å; L552-W581 CarbonylContact O-C 3.54Å; L552-W581 WeakPolarHBondContact O-CA 3.37Å; S553-W581 VanDerWaalsContact CB-CZ3 3.45Å; F572-W581 CarbonylContact C-O 3.55Å; F572-W581 VanDerWaalsContact CA-O 3.28Å; F572-W581 WeakPolarHBondContact CA-O 3.45Å; I573-W581 HydrophobicContact CG1-CB 4.02Å; I573-W581 PolarHBondContact N-O 2.82Å; I573-W581 PolarHBondContact O-N 3.49Å; D575-W581 PolarHBondContact OD2-NE1 3.12Å; T579-W581 HydrophobicContact CG2-CD2 4.42Å; T579-W581 HydrophobicContact CG2-CZ2 3.84Å
582	F	98.4	Very high	94.8	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.8	164	171.6	-124.2	0	0	0	110.2	L499 E501 L551 L552 V557 D571 F572 T584	L499-F582 HydrophobicContact CB-CE1 4.3Å; L499-F582 HydrophobicContact CD1-CE1 4.31Å; L499-F582 HydrophobicContact CD2-CE1 4.28Å; L499-F582 HydrophobicContact CD2-CZ 4.4Å; E501-F582 HydrophobicContact CB-CD1 3.96Å; E501-F582 HydrophobicContact CB-CD2 4.09Å; E501-F582 HydrophobicContact CB-CE1 3.52Å; E501-F582 HydrophobicContact CB-CE2 3.68Å; E501-F582 HydrophobicContact CB-CG 4.23Å; E501-F582 HydrophobicContact CB-CZ 3.37Å; E501-F582 HydrophobicContact CG-CD2 4.48Å; E501-F582 HydrophobicContact CG-CE1 4.24Å; E501-F582 HydrophobicContact CG-CE2 3.72Å; E501-F582 HydrophobicContact CG-CZ 3.57Å; L551-F582 VanDerWaalsContact CA-O 3.31Å; L551-F582 WeakPolarHBondContact CA-O 3.25Å; L552-F582 HydrophobicContact CD1-CD1 4.35Å; L552-F582 PolarHBondContact N-O 2.88Å; L552-F582 PolarHBondContact O-N 2.86Å; V557-F582 HydrophobicContact CG1-CB 3.7Å; D571-F582 HydrophobicContact CB-CE2 4.3Å; F572-F582 HydrophobicContact CD1-CB 3.79Å; F572-F582 AromaticContact CD1-CD2 3.9Å; F572-F582 HydrophobicContact CD1-CD2 3.9Å; F572-F582 HydrophobicContact CD1-CG 4.24Å; F572-F582 HydrophobicContact CD2-CD2 4.31Å; F572-F582 HydrophobicContact CE1-CB 3.75Å; F572-F582 AromaticContact CE1-CD2 3.54Å; F572-F582 HydrophobicContact CE1-CD2 3.54Å; F572-F582 HydrophobicContact CE1-CE2 4.42Å; F572-F582 AromaticContact CE1-CG 3.85Å; F572-F582 HydrophobicContact CE1-CG 3.85Å; F572-F582 AromaticContact CE2-CD2 3.95Å; F572-F582 HydrophobicContact CE2-CD2 3.95Å; F572-F582 HydrophobicContact CE2-CE2 4.25Å; F572-F582 HydrophobicContact CG-CD2 4.3Å; F572-F582 AromaticContact CZ-CD2 3.56Å; F572-F582 HydrophobicContact CZ-CD2 3.56Å; F572-F582 HydrophobicContact CZ-CE2 4.02Å; F572-F582 HydrophobicContact CZ-CG 4.26Å; F582-T584 HydrophobicContact CD1-CG2 3.83Å; F582-T584 HydrophobicContact CE1-CG2 3.72Å; F582-T584 PolarHBondContact O-N 3.02Å
583	C	97.7	Very high	94.4	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	101.1	175.2	-54.9	0	0	0	0	109.5	R531 L551 D571 G585	R531-C583 PolarHBondContact NH1-SG 2.75Å; R531-C583 PolarHBondContact NH2-SG 3.31Å; R531-C583 VanDerWaalsContact NH2-SG 3.4Å; L551-C583 HydrophobicContact CD2-CB 3.9Å; D571-C583 WeakPolarHBondContact O-CB 3.28Å; D571-C583 PolarHBondContact O-N 2.81Å; C583-G585 VanDerWaalsContact C-N 3.25Å; C583-G585 PolarHBondContact O-N 3Å
584	T	95.5	Very high	94.2	Very high	11 Å²	11	38.9 Å²	38.9	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-26.8	-173.9	64.1	0	0	0	0	113	Y497 L499 I550 L552 F582 D586	Y497-T584 WeakPolarHBondContact OH-CB 3.41Å; L499-T584 HydrophobicContact CD1-CG2 3.96Å; I550-T584 HydrophobicContact CB-CG2 4.36Å; I550-T584 WeakPolarHBondContact CB-OG1 3.42Å; I550-T584 HydrophobicContact CG2-CG2 4.07Å; I550-T584 WeakPolarHBondContact O-CB 3.43Å; I550-T584 VanDerWaalsContact O-CG2 3.28Å; I550-T584 WeakPolarHBondContact O-CG2 3.39Å; I550-T584 PolarHBondContact O-N 2.68Å; I550-T584 PolarHBondContact O-OG1 2.88Å; L552-T584 HydrophobicContact CD1-CG2 3.91Å; L552-T584 HydrophobicContact CG-CG2 3.87Å; F582-T584 HydrophobicContact CD1-CG2 3.83Å; F582-T584 HydrophobicContact CE1-CG2 3.72Å; F582-T584 PolarHBondContact O-N 3.02Å; T584-D586 PolarHBondContact O-N 3.01Å; T584-D586 PolarHBondContact OG1-N 2.79Å; T584-D586 VanDerWaalsContact OG1-N 3.11Å
585	G	92.2	Very high	94.1	Very high	15 Å²	15	34.5 Å²	34.5	16%	0.155	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.6	0.2	-168.5	0	0	0	0	0	114	C583 R601 K602	C583-G585 VanDerWaalsContact C-N 3.25Å; C583-G585 PolarHBondContact O-N 3Å; G585-R601 WeakPolarHBondContact O-CG 3.34Å; G585-K602 WeakPolarHBondContact O-CG 3.28Å; G585-K602 PolarHBondContact O-N 3.06Å
586	D	92.9	Very high	94.1	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.6	175	-59.8	-31.4	0	0	0	109.3	Y497 E549 I550 T584 I598 R601	Y497-D586 PolarHBondContact OH-OD2 2.89Å; Y497-D586 VanDerWaalsContact OH-OD2 3.14Å; E549-D586 WeakPolarHBondContact CA-O 3.45Å; I550-D586 HydrophobicContact CD1-CB 4.31Å; I550-D586 PolarHBondContact N-O 3.13Å; T584-D586 PolarHBondContact O-N 3.01Å; T584-D586 PolarHBondContact OG1-N 2.79Å; T584-D586 VanDerWaalsContact OG1-N 3.11Å; D586-I598 HydrophobicContact CB-CG2 4.4Å; D586-R601 WeakPolarHBondContact OD1-CD 3.43Å; D586-R601 WeakPolarHBondContact OD1-CG 3.45Å; D586-R601 IonicContact OD1-CZ 2.98Å; D586-R601 IonicContact OD1-NE 3.18Å; D586-R601 PolarHBondContact OD1-NE 2.82Å
587	I	91.7	Very high	94.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.9	178.8	-54.8	-55.1	0	0	0	108.9	W533 Y538 G548 E549 I599 D600 K602	W533-I587 HydrophobicContact CE3-CD1 3.78Å; W533-I587 HydrophobicContact CE3-CG1 4.38Å; W533-I587 HydrophobicContact CZ3-CD1 4.15Å; W533-I587 HydrophobicContact CZ3-CG1 4.35Å; Y538-I587 HydrophobicContact CD1-CG2 3.95Å; Y538-I587 HydrophobicContact CD2-CG1 4.46Å; Y538-I587 HydrophobicContact CD2-CG2 4.02Å; Y538-I587 HydrophobicContact CE1-CG2 4.08Å; Y538-I587 HydrophobicContact CE2-CG1 4.39Å; Y538-I587 HydrophobicContact CE2-CG2 4.15Å; Y538-I587 HydrophobicContact CG-CG2 3.91Å; G548-I587 CarbonylContact O-C 3.53Å; G548-I587 WeakPolarHBondContact O-CA 3.36Å; E549-I587 HydrophobicContact CB-CD1 4.01Å; I587-I599 HydrophobicContact CB-CG1 4.29Å; I587-I599 HydrophobicContact CG2-CD1 3.94Å; I587-I599 HydrophobicContact CG2-CG1 3.79Å; I587-I599 WeakPolarHBondContact O-CG1 3.22Å; I587-I599 PolarHBondContact O-N 3.19Å; I587-D600 HydrophobicContact CB-CB 3.69Å; I587-D600 HydrophobicContact CG1-CB 3.87Å; I587-D600 HydrophobicContact CG2-CB 4.34Å; I587-D600 PolarHBondContact N-O 3.29Å; I587-D600 PolarHBondContact O-N 2.86Å; I587-K602 HydrophobicContact CD1-CD 4.26Å; I587-K602 HydrophobicContact CD1-CG 3.58Å; I587-K602 HydrophobicContact CG1-CG 4.31Å
588	G	92.9	Very high	93.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.8	179.1	0	0	0	0	0	112.3	R547 G548 S597	R547-G588 CarbonylContact C-O 3.5Å; R547-G588 VanDerWaalsContact CA-O 3.26Å; R547-G588 WeakPolarHBondContact CA-O 3.25Å; G548-G588 PolarHBondContact N-O 2.89Å; G548-G588 PolarHBondContact O-N 2.87Å; G588-S597 CarbonylContact C-O 3.59Å; G588-S597 VanDerWaalsContact CA-O 3.28Å; G588-S597 WeakPolarHBondContact CA-O 3.2Å
589	L	93	Very high	93.4	Very high	30 Å²	30	21.4 Å²	21.4	16%	0.157	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.7	162.1	178.5	148.9	0	0	0	107.6	P546 R547 S597 I599	P546-L589 CarbonylContact O-C 3.19Å; P546-L589 WeakPolarHBondContact O-CA 3.4Å; R547-L589 HydrophobicContact CG-CB 4.23Å; R547-L589 HydrophobicContact CG-CD1 4.16Å; R547-L589 HydrophobicContact CG-CG 4.22Å; L589-S597 PolarHBondContact N-O 2.72Å; L589-S597 PolarHBondContact O-N 3.23Å; L589-I599 HydrophobicContact CB-CD1 4.17Å; L589-I599 HydrophobicContact CB-CG1 4.46Å; L589-I599 HydrophobicContact CB-CG2 3.81Å
590	M	95.4	Very high	92.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.7	170.4	-162.9	66.8	69.6	0	0	108.6	W35 I528 L530 S545 P546 L596	W35-M590 HydrophobicContact CB-CE 3.94Å; W35-M590 HydrophobicContact CD2-CE 3.98Å; W35-M590 HydrophobicContact CD2-CG 3.77Å; W35-M590 HydrophobicContact CD2-SD 4.26Å; W35-M590 HydrophobicContact CE3-CE 4.32Å; W35-M590 HydrophobicContact CE3-CG 3.64Å; W35-M590 HydrophobicContact CE3-SD 4.05Å; W35-M590 HydrophobicContact CG-CE 3.8Å; W35-M590 HydrophobicContact CH2-CG 3.74Å; W35-M590 HydrophobicContact CZ2-CB 4.42Å; W35-M590 HydrophobicContact CZ2-CG 3.88Å; W35-M590 HydrophobicContact CZ3-CG 3.62Å; W35-M590 HydrophobicContact CZ3-SD 4.47Å; I528-M590 HydrophobicContact CG2-CE 4.29Å; L530-M590 HydrophobicContact CD1-CB 4.07Å; S545-M590 WeakPolarHBondContact CA-O 3.31Å; S545-M590 WeakPolarHBondContact CB-O 3.32Å; P546-M590 HydrophobicContact CB-CB 4.27Å; P546-M590 WeakPolarHBondContact CD-O 3.33Å; P546-M590 PolarHBondContact O-N 3.02Å; M590-L596 HydrophobicContact CE-CD1 4.09Å; M590-L596 HydrophobicContact SD-CB 4.44Å
591	H	92.7	Very high	92	Very high	31 Å²	31	20.3 Å²	20.3	14%	0.144	11%	0.107	C	C	.	.			trans	-68.1	162.4	172.9	-71.4	-84.1	0	0	0	110.6	E16 D593 G594 S595 S597	E16-H591 IonicContact OE1-CE1 3.29Å; E16-H591 IonicContact OE1-CG 3.8Å; E16-H591 IonicContact OE1-ND1 2.85Å; E16-H591 PolarHBondContact OE1-ND1 3.19Å; H591-D593 WeakPolarHBondContact CB-OD1 3.47Å; H591-D593 PolarHBondContact O-N 3.42Å; H591-D593 VanDerWaalsContact O-N 3.17Å; H591-G594 PolarHBondContact O-N 3.03Å; H591-S595 WeakPolarHBondContact CB-OG 3.38Å; H591-S595 PolarHBondContact CD2-O 3.32Å; H591-S595 PolarHBondContact CD2-OG 2.77Å; H591-S595 PolarHBondContact N-O 3.36Å; H591-S597 PolarHBondContact CD2-OG 3.36Å; H591-S597 PolarHBondContact NE2-OG 3.05Å
592	T	90	Very high	91.2	Very high	69 Å²	69	22.8 Å²	22.8	42%	0.423	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.1	179.8	45.9	0	0	0	0	113.3	E16 P544	E16-T592 WeakPolarHBondContact OE2-CG2 3.45Å; E16-T592 PolarHBondContact OE2-OG1 2.79Å; P544-T592 HydrophobicContact CB-CG2 4.32Å
593	D	91.1	Very high	90.2	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.4	174	77.2	-18.6	0	0	0	114.2	S19 L22 A23 R515 H591 S595	S19-D593 PolarHBondContact OG-OD2 2.98Å; L22-D593 PolarHBondContact N-O 2.93Å; A23-D593 PolarHBondContact N-O 3.21Å; R515-D593 IonicContact CZ-OD2 2.77Å; R515-D593 IonicContact NH1-OD2 2.7Å; R515-D593 PolarHBondContact NH1-OD2 3.47Å; R515-D593 IonicContact NH2-OD2 3.88Å; R515-D593 PolarHBondContact NH2-OD2 3.03Å; R515-D593 VanDerWaalsContact NH2-OD2 3.16Å; H591-D593 WeakPolarHBondContact CB-OD1 3.47Å; H591-D593 PolarHBondContact O-N 3.42Å; H591-D593 VanDerWaalsContact O-N 3.17Å; D593-S595 VanDerWaalsContact OD1-CB 3.31Å; D593-S595 WeakPolarHBondContact OD1-CB 3.44Å; D593-S595 PolarHBondContact OD1-N 2.96Å; D593-S595 PolarHBondContact OD1-OG 2.93Å
594	G	93.1	Very high	89.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	85.2	12.1	-178.4	0	0	0	0	0	115.1	A23 H591	A23-G594 WeakPolarHBondContact CB-O 3.41Å; H591-G594 PolarHBondContact O-N 3.03Å
595	S	93.9	Very high	88.2	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.148	C	C	.	.			trans	-79.2	147.7	167.3	63.3	0	0	0	0	112.1	G520 H591 D593	G520-S595 CarbonylContact O-C 3.6Å; G520-S595 WeakPolarHBondContact O-CA 3.47Å; H591-S595 WeakPolarHBondContact CB-OG 3.38Å; H591-S595 PolarHBondContact CD2-O 3.32Å; H591-S595 PolarHBondContact CD2-OG 2.77Å; H591-S595 PolarHBondContact N-O 3.36Å; D593-S595 VanDerWaalsContact OD1-CB 3.31Å; D593-S595 WeakPolarHBondContact OD1-CB 3.44Å; D593-S595 PolarHBondContact OD1-N 2.96Å; D593-S595 PolarHBondContact OD1-OG 2.93Å
596	L	94.8	Very high	87.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.2	-175.8	-178	74.9	0	0	0	111.4	Y497 A507 S519 G520 I528 I550 M590 I598	Y497-L596 HydrophobicContact CD1-CD2 3.88Å; Y497-L596 HydrophobicContact CE1-CD2 4.22Å; A507-L596 HydrophobicContact CB-CB 3.94Å; A507-L596 HydrophobicContact CB-CD2 3.89Å; S519-L596 PolarHBondContact N-O 2.85Å; G520-L596 PolarHBondContact O-N 2.95Å; I528-L596 HydrophobicContact CD1-CD2 3.81Å; I550-L596 HydrophobicContact CD1-CD1 4.24Å; I550-L596 HydrophobicContact CD1-CD2 4Å; I550-L596 HydrophobicContact CD1-CG 4.48Å; I550-L596 HydrophobicContact CG1-CD1 4.26Å; I550-L596 HydrophobicContact CG1-CD2 4.5Å; M590-L596 HydrophobicContact CE-CD1 4.09Å; M590-L596 HydrophobicContact SD-CB 4.44Å; L596-I598 HydrophobicContact CD2-CD1 4.01Å; L596-I598 HydrophobicContact CG-CD1 4.11Å
597	S	91.7	Very high	86.5	Confident	10 Å²	10	34.4 Å²	34.4	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.3	172	-65.2	0	0	0	0	110.3	N517 H518 G588 L589 H591	N517-S597 PolarHBondContact O-OG 2.91Å; H518-S597 WeakPolarHBondContact CA-OG 3.46Å; H518-S597 WeakPolarHBondContact CB-OG 3.27Å; G588-S597 CarbonylContact C-O 3.59Å; G588-S597 VanDerWaalsContact CA-O 3.28Å; G588-S597 WeakPolarHBondContact CA-O 3.2Å; L589-S597 PolarHBondContact N-O 2.72Å; L589-S597 PolarHBondContact O-N 3.23Å; H591-S597 PolarHBondContact CD2-OG 3.36Å; H591-S597 PolarHBondContact NE2-OG 3.05Å
598	I	88.7	Confident	85.6	Confident	65 Å²	65	34.6 Å²	34.6	33%	0.333	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.7	-178.9	-64.6	54.5	0	0	0	105.8	Y497 I550 D586 L596	Y497-I598 HydrophobicContact CD1-CD1 4.28Å; Y497-I598 HydrophobicContact CD2-CD1 3.73Å; Y497-I598 HydrophobicContact CD2-CG1 3.59Å; Y497-I598 HydrophobicContact CE2-CD1 4.25Å; Y497-I598 HydrophobicContact CE2-CG1 3.7Å; Y497-I598 HydrophobicContact CG-CD1 3.72Å; Y497-I598 HydrophobicContact CG-CG1 4.1Å; I550-I598 HydrophobicContact CD1-CG1 4.14Å; D586-I598 HydrophobicContact CB-CG2 4.4Å; L596-I598 HydrophobicContact CD2-CD1 4.01Å; L596-I598 HydrophobicContact CG-CD1 4.11Å
599	I	83.8	Confident	84.3	Confident	61 Å²	61	40.5 Å²	40.5	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-21.2	-170.5	58.7	164.5	0	0	0	112.6	Y538 R547 I587 L589	Y538-I599 HydrophobicContact CD1-CD1 4.28Å; Y538-I599 HydrophobicContact CE1-CD1 3.84Å; R547-I599 HydrophobicContact CG-CD1 4.2Å; I587-I599 HydrophobicContact CB-CG1 4.29Å; I587-I599 HydrophobicContact CG2-CD1 3.94Å; I587-I599 HydrophobicContact CG2-CG1 3.79Å; I587-I599 WeakPolarHBondContact O-CG1 3.22Å; I587-I599 PolarHBondContact O-N 3.19Å; L589-I599 HydrophobicContact CB-CD1 4.17Å; L589-I599 HydrophobicContact CB-CG1 4.46Å; L589-I599 HydrophobicContact CB-CG2 3.81Å
600	D	80.7	Confident	82.8	Confident	8 Å²	8	42 Å²	42	4%	0.043	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	-178.9	-178.9	-139.3	-32.3	0	0	0	113.2	Y538 I587 L605 S615	Y538-D600 PolarHBondContact OH-OD2 3.15Å; Y538-D600 VanDerWaalsContact OH-OD2 3.05Å; I587-D600 HydrophobicContact CB-CB 3.69Å; I587-D600 HydrophobicContact CG1-CB 3.87Å; I587-D600 HydrophobicContact CG2-CB 4.34Å; I587-D600 PolarHBondContact N-O 3.29Å; I587-D600 PolarHBondContact O-N 2.86Å; D600-L605 HydrophobicContact CB-CD1 4.09Å; D600-L605 VanDerWaalsContact CG-CD1 3.45Å; D600-L605 VanDerWaalsContact OD2-CD1 3.3Å; D600-L605 WeakPolarHBondContact OD2-CD1 3.41Å; D600-L605 WeakPolarHBondContact OD2-CD2 3.31Å; D600-L605 WeakPolarHBondContact OD2-CG 3.34Å; D600-S615 WeakPolarHBondContact OD1-CB 3.21Å; D600-S615 PolarHBondContact OD1-OG 2.75Å; D600-S615 WeakPolarHBondContact OD2-CB 3.28Å; D600-S615 PolarHBondContact OD2-OG 3.22Å
601	R	83	Confident	81.3	Confident	91 Å²	91	43.4 Å²	43.4	34%	0.343	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.9	170.9	-170.8	175.7	-146.8	-164.7	-3.5	110.8	G585 D586 K603 D604 L605	G585-R601 WeakPolarHBondContact O-CG 3.34Å; D586-R601 WeakPolarHBondContact OD1-CD 3.43Å; D586-R601 WeakPolarHBondContact OD1-CG 3.45Å; D586-R601 IonicContact OD1-CZ 2.98Å; D586-R601 IonicContact OD1-NE 3.18Å; D586-R601 PolarHBondContact OD1-NE 2.82Å; R601-K603 PolarHBondContact O-N 3.25Å; R601-K603 VanDerWaalsContact O-N 3.12Å; R601-D604 HydrophobicContact CB-CB 4.07Å; R601-D604 WeakPolarHBondContact CB-OD2 3.37Å; R601-D604 WeakPolarHBondContact CD-OD2 3.25Å; R601-D604 CarbonylContact O-C 3.26Å; R601-D604 WeakPolarHBondContact O-CA 3.45Å; R601-D604 PolarHBondContact O-N 3.1Å; R601-L605 PolarHBondContact O-N 3.29Å; R601-L605 VanDerWaalsContact O-N 3.15Å
602	K	82	Confident	80.4	Confident	54 Å²	54	45.4 Å²	45.4	24%	0.235	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.3	-38.3	-177.1	-66.2	-175.4	89.4	173.7	0	113.4	W533 E549 G585 I587 D604	W533-K602 HydrophobicContact CD2-CD 4.37Å; W533-K602 VanDerWaalsContact CD2-CE 3.44Å; W533-K602 HydrophobicContact CD2-CG 4.25Å; W533-K602 VanDerWaalsContact CE2-CE 3.49Å; W533-K602 HydrophobicContact CE3-CD 4.47Å; W533-K602 HydrophobicContact CE3-CG 3.92Å; W533-K602 HydrophobicContact CH2-CB 4.17Å; W533-K602 HydrophobicContact CH2-CG 4.16Å; W533-K602 HydrophobicContact CZ2-CG 4.49Å; W533-K602 HydrophobicContact CZ3-CB 4.27Å; W533-K602 HydrophobicContact CZ3-CG 3.82Å; E549-K602 HydrophobicContact CB-CD 4.15Å; E549-K602 VanDerWaalsContact CD-CD 3.4Å; E549-K602 HydrophobicContact CG-CD 3.9Å; E549-K602 IonicContact OE1-NZ 2.68Å; E549-K602 WeakPolarHBondContact OE2-CD 3.34Å; E549-K602 IonicContact OE2-NZ 3.44Å; E549-K602 PolarHBondContact OE2-NZ 3.32Å; G585-K602 WeakPolarHBondContact O-CG 3.28Å; G585-K602 PolarHBondContact O-N 3.06Å; I587-K602 HydrophobicContact CD1-CD 4.26Å; I587-K602 HydrophobicContact CD1-CG 3.58Å; I587-K602 HydrophobicContact CG1-CG 4.31Å; K602-D604 VanDerWaalsContact C-N 3.34Å
603	K	77.4	Confident	79.8	Confident	128 Å²	128	45.4 Å²	45.4	56%	0.557	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-77.1	-20.9	179.5	-66.9	-178.6	-178.6	171.6	0	113.5	R601	R601-K603 PolarHBondContact O-N 3.25Å; R601-K603 VanDerWaalsContact O-N 3.12Å
604	D	75.4	Confident	79.3	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.102	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-97.5	7.5	177.4	-62.4	-44.4	0	0	0	111.5	R601 K602 L616 S617 R747	R601-D604 HydrophobicContact CB-CB 4.07Å; R601-D604 WeakPolarHBondContact CB-OD2 3.37Å; R601-D604 WeakPolarHBondContact CD-OD2 3.25Å; R601-D604 CarbonylContact O-C 3.26Å; R601-D604 WeakPolarHBondContact O-CA 3.45Å; R601-D604 PolarHBondContact O-N 3.1Å; K602-D604 VanDerWaalsContact C-N 3.34Å; D604-L616 HydrophobicContact CB-CB 4.28Å; D604-L616 WeakPolarHBondContact O-CB 3.49Å; D604-L616 WeakPolarHBondContact O-CG 3.35Å; D604-L616 PolarHBondContact O-N 3.29Å; D604-S617 PolarHBondContact OD2-OG 3.48Å; D604-R747 IonicContact OD1-CZ 3.41Å; D604-R747 IonicContact OD1-NE 2.9Å; D604-R747 PolarHBondContact OD1-NE 2.85Å; D604-R747 IonicContact OD1-NH2 2.75Å
605	L	75.8	Confident	78.8	Confident	20 Å²	20	45.4 Å²	45.4	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114	172.8	-91.7	160	0	0	0	109.8	W533 Y538 D600 R601 V614	W533-L605 HydrophobicContact CE3-CD1 4.39Å; W533-L605 HydrophobicContact CH2-CB 3.81Å; W533-L605 HydrophobicContact CH2-CD1 3.61Å; W533-L605 HydrophobicContact CH2-CG 4.36Å; W533-L605 HydrophobicContact CZ3-CB 4.31Å; W533-L605 HydrophobicContact CZ3-CD1 3.22Å; W533-L605 HydrophobicContact CZ3-CG 4.39Å; Y538-L605 HydrophobicContact CE2-CD1 3.83Å; D600-L605 HydrophobicContact CB-CD1 4.09Å; D600-L605 VanDerWaalsContact CG-CD1 3.45Å; D600-L605 VanDerWaalsContact OD2-CD1 3.3Å; D600-L605 WeakPolarHBondContact OD2-CD1 3.41Å; D600-L605 WeakPolarHBondContact OD2-CD2 3.31Å; D600-L605 WeakPolarHBondContact OD2-CG 3.34Å; R601-L605 PolarHBondContact O-N 3.29Å; R601-L605 VanDerWaalsContact O-N 3.15Å; L605-V614 WeakPolarHBondContact CA-O 3.32Å
606	V	77.5	Confident	78.5	Confident	27 Å²	27	45.8 Å²	45.8	16%	0.164	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	-178.2	-171.5	0	0	0	0	109.5	Y613 V614 L616 V636 P638	V606-Y613 WeakPolarHBondContact O-CA 3.42Å; V606-V614 PolarHBondContact N-O 2.78Å; V606-V614 PolarHBondContact O-N 2.97Å; V606-L616 HydrophobicContact CG2-CD1 3.82Å; V606-L616 HydrophobicContact CG2-CD2 4.27Å; V606-L616 HydrophobicContact CG2-CG 4.06Å; V606-V636 HydrophobicContact CB-CB 3.91Å; V606-V636 HydrophobicContact CB-CG1 3.95Å; V606-V636 HydrophobicContact CB-CG2 4.49Å; V606-V636 HydrophobicContact CG1-CB 3.71Å; V606-V636 HydrophobicContact CG1-CG1 3.43Å; V606-V636 VanDerWaalsContact CG1-CG1 3.43Å; V606-V636 HydrophobicContact CG2-CB 4.31Å; V606-P638 HydrophobicContact CG1-CG 4.21Å
607	K	72.1	Confident	77.9	Confident	105 Å²	105	47.7 Å²	47.7	46%	0.457	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.4	175	-168.2	-178.5	-174.9	166.4	0	109.7	G611 E612 Y613 P638	K607-G611 WeakPolarHBondContact CE-O 3.42Å; K607-E612 CarbonylContact C-O 3.5Å; K607-E612 WeakPolarHBondContact CA-O 3.43Å; K607-Y613 HydrophobicContact CB-CD1 4.11Å; K607-Y613 HydrophobicContact CB-CE1 3.82Å; K607-Y613 HydrophobicContact CB-CE2 4.44Å; K607-Y613 HydrophobicContact CD-CE1 4.41Å; K607-Y613 HydrophobicContact CD-CE2 3.99Å; K607-Y613 HydrophobicContact CG-CD2 4.35Å; K607-Y613 HydrophobicContact CG-CE1 4.22Å; K607-Y613 HydrophobicContact CG-CE2 3.95Å; K607-P638 WeakPolarHBondContact O-CA 3.36Å
608	L	73.3	Confident	77.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.257	C	S	.	.			trans	-73.7	162.9	170.4	-67.2	173.2	0	0	0	110.8	A610 G611 E612 V614 V636 Q640 F719	L608-A610 PolarHBondContact O-N 3.01Å; L608-G611 WeakPolarHBondContact O-CA 3.46Å; L608-G611 PolarHBondContact O-N 3.01Å; L608-E612 PolarHBondContact N-O 3.47Å; L608-V614 HydrophobicContact CD1-CG2 3.55Å; L608-V614 HydrophobicContact CD2-CG2 4.39Å; L608-V614 HydrophobicContact CG-CG2 3.82Å; L608-V636 HydrophobicContact CD2-CG1 3.4Å; L608-V636 VanDerWaalsContact CD2-CG1 3.4Å; L608-V636 HydrophobicContact CG-CG1 4.39Å; L608-Q640 WeakPolarHBondContact CD2-O 3.46Å; L608-F719 HydrophobicContact CD1-CB 3.89Å; L608-F719 HydrophobicContact CD1-CD2 4.02Å; L608-F719 HydrophobicContact CD1-CG 4.4Å
609	Q	65	Low	77.6	Confident	124 Å²	124	48.1 Å²	48.1	58%	0.579	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.5	178.9	-178	-171.9	19.6	0	0	112.6	G611 P638 M639 Q640 N641	Q609-G611 PolarHBondContact O-N 3.32Å; Q609-P638 PolarHBondContact N-O 2.97Å; Q609-M639 PolarHBondContact OE1-O 3.43Å; Q609-Q640 PolarHBondContact N-O 3Å; Q609-N641 WeakPolarHBondContact CB-OD1 3.36Å; Q609-N641 PolarHBondContact OE1-ND2 3.47Å
610	A	62.3	Low	77.9	Confident	63 Å²	63	46.2 Å²	46.2	52%	0.521	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.2	175.9	0	0	0	0	0	114	L608 E612 N641	L608-A610 PolarHBondContact O-N 3.01Å; A610-E612 VanDerWaalsContact C-OE2 3.22Å; A610-E612 WeakPolarHBondContact CB-OE2 3.4Å; A610-N641 PolarHBondContact N-OD1 2.92Å
611	G	63.8	Low	78.1	Confident	28 Å²	28	51.6 Å²	51.6	29%	0.289	26%	0.257	S	S	.	.	S	Bend	trans	101	-7.4	170.6	0	0	0	0	0	114.8	K607 L608 Q609	K607-G611 WeakPolarHBondContact CE-O 3.42Å; L608-G611 WeakPolarHBondContact O-CA 3.46Å; L608-G611 PolarHBondContact O-N 3.01Å; Q609-G611 PolarHBondContact O-N 3.32Å
612	E	73.1	Confident	78.3	Confident	74 Å²	74	47.8 Å²	47.8	35%	0.346	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-69.4	147.6	173.4	-55.3	87.7	166.5	0	0	111.3	K607 L608 A610 F719	K607-E612 CarbonylContact C-O 3.5Å; K607-E612 WeakPolarHBondContact CA-O 3.43Å; L608-E612 PolarHBondContact N-O 3.47Å; A610-E612 VanDerWaalsContact C-OE2 3.22Å; A610-E612 WeakPolarHBondContact CB-OE2 3.4Å; E612-F719 HydrophobicContact CB-CD1 4.28Å; E612-F719 HydrophobicContact CB-CD2 3.71Å; E612-F719 HydrophobicContact CB-CE1 4.31Å; E612-F719 HydrophobicContact CB-CE2 3.76Å; E612-F719 HydrophobicContact CB-CG 4Å; E612-F719 HydrophobicContact CB-CZ 4.08Å; E612-F719 HydrophobicContact CG-CD1 3.99Å; E612-F719 HydrophobicContact CG-CD2 4.31Å; E612-F719 HydrophobicContact CG-CE1 4.14Å; E612-F719 HydrophobicContact CG-CE2 4.46Å; E612-F719 HydrophobicContact CG-CG 4.1Å; E612-F719 HydrophobicContact CG-CZ 4.38Å
613	Y	77.1	Confident	78.9	Confident	68 Å²	68	45.2 Å²	45.2	27%	0.267	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.4	175.1	-73.6	-101	0	0	0	109.8	E535 V606 K607	E535-Y613 WeakPolarHBondContact O-CD2 3.27Å; E535-Y613 WeakPolarHBondContact O-CE2 3.49Å; E535-Y613 PolarHBondContact O-OH 3.35Å; V606-Y613 WeakPolarHBondContact O-CA 3.42Å; K607-Y613 HydrophobicContact CB-CD1 4.11Å; K607-Y613 HydrophobicContact CB-CE1 3.82Å; K607-Y613 HydrophobicContact CB-CE2 4.44Å; K607-Y613 HydrophobicContact CD-CE1 4.41Å; K607-Y613 HydrophobicContact CD-CE2 3.99Å; K607-Y613 HydrophobicContact CG-CD2 4.35Å; K607-Y613 HydrophobicContact CG-CE1 4.22Å; K607-Y613 HydrophobicContact CG-CE2 3.95Å
614	V	80.7	Confident	79.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.8	174.8	178.6	0	0	0	0	108.7	L605 V606 L608 L616 V619 V636 F719	L605-V614 WeakPolarHBondContact CA-O 3.32Å; V606-V614 PolarHBondContact N-O 2.78Å; V606-V614 PolarHBondContact O-N 2.97Å; L608-V614 HydrophobicContact CD1-CG2 3.55Å; L608-V614 HydrophobicContact CD2-CG2 4.39Å; L608-V614 HydrophobicContact CG-CG2 3.82Å; V614-L616 HydrophobicContact CG1-CD2 4.49Å; V614-L616 PolarHBondContact O-N 2.79Å; V614-V619 HydrophobicContact CG1-CG2 4.03Å; V614-V636 HydrophobicContact CB-CG2 4.43Å; V614-V636 HydrophobicContact CG1-CG2 4.36Å; V614-F719 HydrophobicContact CG2-CD2 3.77Å; V614-F719 HydrophobicContact CG2-CE2 4.15Å
615	S	83.8	Confident	80.2	Confident	4 Å²	4	45 Å²	45	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	105.9	167	177.4	0	0	0	0	109.6	D600 S617 K618 V619	D600-S615 WeakPolarHBondContact OD1-CB 3.21Å; D600-S615 PolarHBondContact OD1-OG 2.75Å; D600-S615 WeakPolarHBondContact OD2-CB 3.28Å; D600-S615 PolarHBondContact OD2-OG 3.22Å; S615-S617 VanDerWaalsContact C-N 3.28Å; S615-S617 PolarHBondContact O-N 3.1Å; S615-K618 PolarHBondContact O-N 2.81Å; S615-K618 VanDerWaalsContact OG-CB 3.27Å; S615-K618 WeakPolarHBondContact OG-CB 3.34Å; S615-K618 PolarHBondContact OG-N 3.31Å; S615-V619 WeakPolarHBondContact O-CG2 3.5Å; S615-V619 PolarHBondContact O-N 3.03Å
616	L	87.2	Confident	81	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-42.8	179.6	-59.1	177	0	0	0	110.7	D604 V606 V614 K618 V619 E620 V634 V636	D604-L616 HydrophobicContact CB-CB 4.28Å; D604-L616 WeakPolarHBondContact O-CB 3.49Å; D604-L616 WeakPolarHBondContact O-CG 3.35Å; D604-L616 PolarHBondContact O-N 3.29Å; V606-L616 HydrophobicContact CG2-CD1 3.82Å; V606-L616 HydrophobicContact CG2-CD2 4.27Å; V606-L616 HydrophobicContact CG2-CG 4.06Å; V614-L616 HydrophobicContact CG1-CD2 4.49Å; V614-L616 PolarHBondContact O-N 2.79Å; L616-K618 PolarHBondContact O-N 2.89Å; L616-V619 PolarHBondContact O-N 3.06Å; L616-E620 WeakPolarHBondContact O-CB 3.17Å; L616-E620 WeakPolarHBondContact O-CG 3.44Å; L616-E620 PolarHBondContact O-N 3.3Å; L616-V634 HydrophobicContact CD2-CB 4.02Å; L616-V634 HydrophobicContact CD2-CG1 3.61Å; L616-V636 HydrophobicContact CD2-CB 4.34Å; L616-V636 HydrophobicContact CD2-CG2 3.64Å
617	S	82.2	Confident	81.6	Confident	40 Å²	40	44.9 Å²	44.9	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-41.2	-178.4	-61.4	0	0	0	0	112.6	D604 S615 E620 M621	D604-S617 PolarHBondContact OD2-OG 3.48Å; S615-S617 VanDerWaalsContact C-N 3.28Å; S615-S617 PolarHBondContact O-N 3.1Å; S617-E620 PolarHBondContact O-N 3.4Å; S617-M621 VanDerWaalsContact O-CB 3.31Å; S617-M621 WeakPolarHBondContact O-CB 3.43Å; S617-M621 PolarHBondContact O-N 2.93Å
618	K	83.1	Confident	82.7	Confident	84 Å²	84	41.9 Å²	41.9	37%	0.365	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-46.5	174.5	178.6	-170.6	168.5	-159.2	0	111.2	S615 L616 M621 A622 L716 E720	S615-K618 PolarHBondContact O-N 2.81Å; S615-K618 VanDerWaalsContact OG-CB 3.27Å; S615-K618 WeakPolarHBondContact OG-CB 3.34Å; S615-K618 PolarHBondContact OG-N 3.31Å; L616-K618 PolarHBondContact O-N 2.89Å; K618-M621 PolarHBondContact O-N 3.38Å; K618-A622 WeakPolarHBondContact O-CB 3.38Å; K618-A622 PolarHBondContact O-N 3.07Å; K618-A622 VanDerWaalsContact O-N 3.07Å; K618-L716 HydrophobicContact CD-CD2 4.41Å; K618-L716 HydrophobicContact CG-CD2 4.26Å; K618-E720 IonicContact NZ-OE1 3.93Å; K618-E720 PolarHBondContact NZ-OE1 2.86Å; K618-E720 IonicContact NZ-OE2 2.9Å; K618-E720 PolarHBondContact NZ-OE2 3.47Å
619	V	89.4	Confident	83.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-44.4	-179.8	-180	0	0	0	0	110.4	V614 S615 L616 M621 A622 L623 V634 L716 E720 P722	V614-V619 HydrophobicContact CG1-CG2 4.03Å; S615-V619 WeakPolarHBondContact O-CG2 3.5Å; S615-V619 PolarHBondContact O-N 3.03Å; L616-V619 PolarHBondContact O-N 3.06Å; V619-M621 PolarHBondContact O-N 2.9Å; V619-A622 PolarHBondContact O-N 3.37Å; V619-L623 HydrophobicContact CG1-CD1 3.57Å; V619-L623 HydrophobicContact CG1-CG 4.1Å; V619-L623 WeakPolarHBondContact O-CB 3.28Å; V619-L623 WeakPolarHBondContact O-CG 3.32Å; V619-L623 PolarHBondContact O-N 2.86Å; V619-V634 HydrophobicContact CB-CG2 4.11Å; V619-V634 HydrophobicContact CG1-CG1 4.38Å; V619-V634 HydrophobicContact CG1-CG2 3.69Å; V619-L716 HydrophobicContact CB-CD1 4.38Å; V619-L716 HydrophobicContact CG1-CD1 4.04Å; V619-L716 HydrophobicContact CG2-CD1 4.2Å; V619-E720 HydrophobicContact CG2-CB 3.83Å; V619-E720 HydrophobicContact CG2-CG 4.39Å; V619-P722 HydrophobicContact CG1-CG 4.33Å
620	E	90.7	Very high	84.9	Confident	21 Å²	21	40.8 Å²	40.8	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-44.3	176.7	-74.2	168.5	175.2	0	0	112.5	L616 S617 A622 L623 S624 I632 C633 V634 R747	L616-E620 WeakPolarHBondContact O-CB 3.17Å; L616-E620 WeakPolarHBondContact O-CG 3.44Å; L616-E620 PolarHBondContact O-N 3.3Å; S617-E620 PolarHBondContact O-N 3.4Å; E620-A622 VanDerWaalsContact C-N 3.33Å; E620-A622 PolarHBondContact O-N 3.09Å; E620-L623 PolarHBondContact O-N 2.89Å; E620-S624 VanDerWaalsContact O-CB 3.3Å; E620-S624 WeakPolarHBondContact O-CB 3.28Å; E620-S624 PolarHBondContact O-N 2.81Å; E620-S624 PolarHBondContact O-OG 3.04Å; E620-I632 HydrophobicContact CB-CG2 4.21Å; E620-I632 HydrophobicContact CG-CG2 4.33Å; E620-C633 WeakPolarHBondContact OE1-CA 3.49Å; E620-V634 HydrophobicContact CG-CB 3.99Å; E620-V634 HydrophobicContact CG-CG2 3.53Å; E620-V634 PolarHBondContact OE1-N 3.43Å; E620-R747 IonicContact OE1-CZ 3.98Å; E620-R747 VanDerWaalsContact OE1-CZ 3.29Å; E620-R747 IonicContact OE1-NH1 3.75Å; E620-R747 PolarHBondContact OE1-NH1 3.03Å; E620-R747 IonicContact OE1-NH2 3.67Å; E620-R747 PolarHBondContact OE1-NH2 3.29Å; E620-R747 IonicContact OE2-CZ 3.82Å; E620-R747 IonicContact OE2-NH1 3.2Å; E620-R747 IonicContact OE2-NH2 3.89Å; E620-R747 PolarHBondContact OE2-NH2 2.72Å
621	M	86.2	Confident	86.3	Confident	121 Å²	121	39.6 Å²	39.6	60%	0.596	21%	0.209	S	C	*	.	H	α-helix	trans	-64.6	-37	177.8	-175.5	-180	68.8	0	0	112.3	S617 K618 V619 S624	S617-M621 VanDerWaalsContact O-CB 3.31Å; S617-M621 WeakPolarHBondContact O-CB 3.43Å; S617-M621 PolarHBondContact O-N 2.93Å; K618-M621 PolarHBondContact O-N 3.38Å; V619-M621 PolarHBondContact O-N 2.9Å; M621-S624 PolarHBondContact O-OG 2.87Å
622	A	87.2	Confident	87.8	Confident	10 Å²	10	38.7 Å²	38.7	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-46	175.3	0	0	0	0	0	111.5	K618 V619 E620 Q625 V710 K714 L716	K618-A622 WeakPolarHBondContact O-CB 3.38Å; K618-A622 PolarHBondContact O-N 3.07Å; K618-A622 VanDerWaalsContact O-N 3.07Å; V619-A622 PolarHBondContact O-N 3.37Å; E620-A622 VanDerWaalsContact C-N 3.33Å; E620-A622 PolarHBondContact O-N 3.09Å; A622-Q625 PolarHBondContact O-N 2.78Å; A622-V710 VanDerWaalsContact O-CG1 3.29Å; A622-V710 WeakPolarHBondContact O-CG1 3.44Å; A622-K714 HydrophobicContact CB-CB 3.9Å; A622-K714 HydrophobicContact CB-CG 4.08Å; A622-L716 HydrophobicContact CB-CD1 3.99Å; A622-L716 HydrophobicContact CB-CD2 4.22Å; A622-L716 HydrophobicContact CB-CG 4.24Å
623	L	93.1	Very high	88.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-77.3	-23.1	-174.6	-67.5	-178.2	0	0	0	114.1	V619 E620 Q625 S626 I632 V634 L707 A711 P722	V619-L623 HydrophobicContact CG1-CD1 3.57Å; V619-L623 HydrophobicContact CG1-CG 4.1Å; V619-L623 WeakPolarHBondContact O-CB 3.28Å; V619-L623 WeakPolarHBondContact O-CG 3.32Å; V619-L623 PolarHBondContact O-N 2.86Å; E620-L623 PolarHBondContact O-N 2.89Å; L623-Q625 PolarHBondContact O-N 3.25Å; L623-Q625 VanDerWaalsContact O-N 3.09Å; L623-S626 WeakPolarHBondContact O-CB 3.45Å; L623-S626 PolarHBondContact O-N 3.06Å; L623-I632 HydrophobicContact CB-CD1 3.57Å; L623-I632 HydrophobicContact CD1-CD1 3.66Å; L623-I632 HydrophobicContact CG-CD1 4.28Å; L623-V634 HydrophobicContact CD1-CG2 4.42Å; L623-L707 HydrophobicContact CB-CD2 4.11Å; L623-L707 HydrophobicContact CD2-CB 4.2Å; L623-L707 HydrophobicContact CD2-CD2 4.17Å; L623-L707 VanDerWaalsContact CD2-O 3.23Å; L623-L707 WeakPolarHBondContact CD2-O 3.33Å; L623-A711 HydrophobicContact CD2-CB 3.94Å; L623-P722 HydrophobicContact CD1-CG 3.58Å
624	S	91.5	Very high	89.6	Confident	54 Å²	54	32.2 Å²	32.2	38%	0.378	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.9	174.1	68.2	0	0	0	0	113.1	E620 M621 S626	E620-S624 VanDerWaalsContact O-CB 3.3Å; E620-S624 WeakPolarHBondContact O-CB 3.28Å; E620-S624 PolarHBondContact O-N 2.81Å; E620-S624 PolarHBondContact O-OG 3.04Å; M621-S624 PolarHBondContact O-OG 2.87Å; S624-S626 PolarHBondContact O-N 2.89Å
625	Q	89.2	Confident	90.1	Very high	90 Å²	90	34.2 Å²	34.2	42%	0.421	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.7	175.5	-53.9	-163.6	12.9	0	0	113.8	A622 L623 V710	A622-Q625 PolarHBondContact O-N 2.78Å; L623-Q625 PolarHBondContact O-N 3.25Å; L623-Q625 VanDerWaalsContact O-N 3.09Å; Q625-V710 HydrophobicContact CB-CG1 4.37Å
626	S	91.8	Very high	90.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.179	C	C	.	.	S	Bend	trans	-62.7	141.5	172	169.6	0	0	0	0	111.6	L623 S624 Y628 V629 D706	L623-S626 WeakPolarHBondContact O-CB 3.45Å; L623-S626 PolarHBondContact O-N 3.06Å; S624-S626 PolarHBondContact O-N 2.89Å; S626-Y628 PolarHBondContact O-N 3.28Å; S626-Y628 VanDerWaalsContact O-N 3.14Å; S626-Y628 PolarHBondContact OG-N 3.09Å; S626-V629 PolarHBondContact O-N 3.34Å; S626-D706 WeakPolarHBondContact CB-OD2 3.35Å; S626-D706 PolarHBondContact OG-OD2 2.98Å
627	A	91.3	Very high	89.9	Confident	42 Å²	42	36 Å²	36	35%	0.347	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.2	178.1	0	0	0	0	0	113.4	K650 S653	A627-K650 WeakPolarHBondContact O-CD 3.49Å; A627-S653 WeakPolarHBondContact O-CB 3.5Å; A627-S653 PolarHBondContact O-OG 2.7Å
628	Y	94.2	Very high	89.4	Confident	43 Å²	43	37.6 Å²	37.6	17%	0.169	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-18.5	-178.2	-56.4	-66.7	0	0	0	113.5	S626 P649 K650 L654 L657 V703 D706	S626-Y628 PolarHBondContact O-N 3.28Å; S626-Y628 VanDerWaalsContact O-N 3.14Å; S626-Y628 PolarHBondContact OG-N 3.09Å; Y628-P649 CarbonylContact O-C 3.59Å; Y628-P649 WeakPolarHBondContact O-CA 3.12Å; Y628-K650 PolarHBondContact O-N 3.2Å; Y628-L654 HydrophobicContact CD1-CD2 4.16Å; Y628-L657 HydrophobicContact CD1-CD2 4.34Å; Y628-L657 HydrophobicContact CE1-CB 3.9Å; Y628-L657 HydrophobicContact CE1-CD2 3.81Å; Y628-L657 HydrophobicContact CE1-CG 4.3Å; Y628-V703 HydrophobicContact CD1-CG2 4.4Å; Y628-V703 HydrophobicContact CD2-CG2 4.27Å; Y628-V703 HydrophobicContact CG-CG2 4Å; Y628-D706 HydrophobicContact CD2-CB 3.73Å; Y628-D706 HydrophobicContact CE2-CB 3.57Å; Y628-D706 VanDerWaalsContact CE2-CG 3.45Å
629	V	93.9	Very high	88.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.9	-173.6	176.1	0	0	0	0	110.3	S626 I632 V647 K650 L707	S626-V629 PolarHBondContact O-N 3.34Å; V629-I632 HydrophobicContact CG1-CB 3.78Å; V629-I632 HydrophobicContact CG1-CG2 4.02Å; V629-V647 HydrophobicContact CB-CG1 4.41Å; V629-V647 HydrophobicContact CG2-CG1 3.9Å; V629-V647 HydrophobicContact CG2-CG2 4.25Å; V629-K650 WeakPolarHBondContact O-CD 3.3Å; V629-K650 WeakPolarHBondContact O-CE 3.48Å; V629-K650 PolarHBondContact O-NZ 3.13Å; V629-L707 HydrophobicContact CG2-CD2 3.67Å
630	E	90.9	Very high	88.3	Confident	103 Å²	103	42.4 Å²	42.4	48%	0.481	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-52.5	160.3	-170.2	70.2	-170.3	0	0	109.1	S648 K650	E630-S648 WeakPolarHBondContact CA-O 3.32Å; E630-S648 VanDerWaalsContact CB-O 3.25Å; E630-S648 WeakPolarHBondContact CB-O 3.28Å; E630-S648 PolarHBondContact N-O 2.93Å; E630-K650 HydrophobicContact CB-CG 4.08Å; E630-K650 WeakPolarHBondContact OE2-CE 3.25Å; E630-K650 WeakPolarHBondContact OE2-CG 3.45Å
631	Q	92.6	Very high	87.8	Confident	38 Å²	38	45.2 Å²	45.2	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.3	172.5	-65.8	156.9	-71.6	0	0	109.4	V647 S648 W732	Q631-V647 WeakPolarHBondContact O-CA 3.42Å; Q631-S648 PolarHBondContact N-O 3.37Å; Q631-S648 VanDerWaalsContact N-O 3.12Å; Q631-S648 PolarHBondContact O-N 3.48Å; Q631-W732 HydrophobicContact CB-CD2 4.32Å; Q631-W732 HydrophobicContact CB-CE3 3.5Å; Q631-W732 HydrophobicContact CB-CZ3 3.86Å; Q631-W732 HydrophobicContact CG-CE3 4.49Å; Q631-W732 PolarHBondContact NE2-O 3.04Å; Q631-W732 PolarHBondContact OE1-O 3.48Å
632	I	93.9	Very high	87.9	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.046	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.6	-179.2	-174.3	167.2	0	0	0	110.2	E620 L623 V629 C645 F646 V647 L707 L745	E620-I632 HydrophobicContact CB-CG2 4.21Å; E620-I632 HydrophobicContact CG-CG2 4.33Å; L623-I632 HydrophobicContact CB-CD1 3.57Å; L623-I632 HydrophobicContact CD1-CD1 3.66Å; L623-I632 HydrophobicContact CG-CD1 4.28Å; V629-I632 HydrophobicContact CG1-CB 3.78Å; V629-I632 HydrophobicContact CG1-CG2 4.02Å; I632-C645 HydrophobicContact CD1-CB 3.95Å; I632-C645 HydrophobicContact CG1-CB 4.06Å; I632-F646 CarbonylContact C-O 3.56Å; I632-F646 WeakPolarHBondContact CA-O 3.42Å; I632-V647 HydrophobicContact CB-CG2 4.34Å; I632-V647 HydrophobicContact CD1-CG2 3.94Å; I632-V647 HydrophobicContact CG1-CG2 3.88Å; I632-L707 HydrophobicContact CD1-CD2 4.14Å; I632-L745 WeakPolarHBondContact O-CD1 3.48Å
633	C	94	Very high	88.1	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.4	172.2	-177.2	0	0	0	0	108.1	E620 C645 F646 W732 L745 L750	E620-C633 WeakPolarHBondContact OE1-CA 3.49Å; C633-C645 CarbonylContact O-C 3.51Å; C633-C645 VanDerWaalsContact O-CA 3.29Å; C633-C645 WeakPolarHBondContact O-CA 3.4Å; C633-F646 HydrophobicContact CB-CB 4.44Å; C633-F646 HydrophobicContact CB-CD2 4.15Å; C633-F646 PolarHBondContact N-O 3.37Å; C633-F646 PolarHBondContact O-N 3.03Å; C633-W732 HydrophobicContact CB-CH2 3.66Å; C633-W732 HydrophobicContact CB-CZ3 3.91Å; C633-L745 HydrophobicContact CB-CD1 4.08Å; C633-L750 HydrophobicContact CB-CD1 3.9Å
634	V	93.9	Very high	88.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.9	173.5	-179.9	0	0	0	0	108.1	L616 V619 E620 L623 P643 C645 R747	L616-V634 HydrophobicContact CD2-CB 4.02Å; L616-V634 HydrophobicContact CD2-CG1 3.61Å; V619-V634 HydrophobicContact CB-CG2 4.11Å; V619-V634 HydrophobicContact CG1-CG1 4.38Å; V619-V634 HydrophobicContact CG1-CG2 3.69Å; E620-V634 HydrophobicContact CG-CB 3.99Å; E620-V634 HydrophobicContact CG-CG2 3.53Å; E620-V634 PolarHBondContact OE1-N 3.43Å; L623-V634 HydrophobicContact CD1-CG2 4.42Å; V634-P643 HydrophobicContact CG1-CB 3.86Å; V634-C645 HydrophobicContact CG2-CB 4.32Å; V634-R747 PolarHBondContact O-NH1 3.21Å
635	Y	91.9	Very high	88.5	Confident	43 Å²	43	37.7 Å²	37.7	17%	0.169	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.4	176.6	179.7	-91.6	0	0	0	109.4	D637 I644 F646 Q751 I758 Y762	Y635-D637 HydrophobicContact CE1-CB 4.23Å; Y635-I644 HydrophobicContact CD1-CD1 3.88Å; Y635-I644 HydrophobicContact CD1-CG1 3.9Å; Y635-I644 HydrophobicContact CG-CG1 4.42Å; Y635-I644 PolarHBondContact N-O 3.14Å; Y635-I644 PolarHBondContact O-N 3.24Å; Y635-I644 VanDerWaalsContact O-O 3.05Å; Y635-F646 HydrophobicContact CD1-CZ 4.45Å; Y635-F646 HydrophobicContact CD2-CE2 4.5Å; Y635-F646 HydrophobicContact CD2-CZ 4.49Å; Y635-F646 HydrophobicContact CG-CE2 4.25Å; Y635-F646 AromaticContact CG-CZ 3.94Å; Y635-F646 HydrophobicContact CG-CZ 3.94Å; Y635-Q751 HydrophobicContact CD2-CG 4.43Å; Y635-Q751 HydrophobicContact CE2-CG 3.82Å; Y635-Q751 PolarHBondContact OH-NE2 3.4Å; Y635-I758 HydrophobicContact CD1-CD1 4.35Å; Y635-I758 HydrophobicContact CD1-CG1 4.29Å; Y635-I758 HydrophobicContact CD1-CG2 4.36Å; Y635-I758 HydrophobicContact CD2-CD1 4.35Å; Y635-I758 HydrophobicContact CE1-CD1 4.17Å; Y635-I758 HydrophobicContact CE1-CG1 4.3Å; Y635-I758 HydrophobicContact CE1-CG2 3.72Å; Y635-I758 HydrophobicContact CE2-CD1 4.19Å; Y635-I758 HydrophobicContact CG-CD1 4.42Å; Y635-Y762 AromaticContact CD1-CE2 3.91Å; Y635-Y762 HydrophobicContact CD1-CE2 3.91Å; Y635-Y762 AromaticContact CE1-CE2 3.81Å; Y635-Y762 HydrophobicContact CE1-CE2 3.81Å
636	V	85.9	Confident	88.8	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.055	17%	0.173	C	C	.	.			trans	-131.7	121.9	177.7	175.1	0	0	0	0	107.7	V606 L608 V614 L616 P643	V606-V636 HydrophobicContact CB-CB 3.91Å; V606-V636 HydrophobicContact CB-CG1 3.95Å; V606-V636 HydrophobicContact CB-CG2 4.49Å; V606-V636 HydrophobicContact CG1-CB 3.71Å; V606-V636 HydrophobicContact CG1-CG1 3.43Å; V606-V636 VanDerWaalsContact CG1-CG1 3.43Å; V606-V636 HydrophobicContact CG2-CB 4.31Å; L608-V636 HydrophobicContact CD2-CG1 3.4Å; L608-V636 VanDerWaalsContact CD2-CG1 3.4Å; L608-V636 HydrophobicContact CG-CG1 4.39Å; V614-V636 HydrophobicContact CB-CG2 4.43Å; V614-V636 HydrophobicContact CG1-CG2 4.36Å; L616-V636 HydrophobicContact CD2-CB 4.34Å; L616-V636 HydrophobicContact CD2-CG2 3.64Å; V636-P643 HydrophobicContact CG2-CB 3.71Å
637	D	81.5	Confident	89.1	Confident	41 Å²	41	33.4 Å²	33.4	22%	0.219	17%	0.172	C	C	.	.			trans	-81.5	122.5	161.7	-179.7	-7.8	0	0	0	108.8	Y635 M639 Q640 Y762	Y635-D637 HydrophobicContact CE1-CB 4.23Å; D637-M639 PolarHBondContact O-N 3.46Å; D637-M639 VanDerWaalsContact O-N 3.07Å; D637-M639 WeakPolarHBondContact OD1-CB 3.33Å; D637-M639 PolarHBondContact OD1-N 2.9Å; D637-Q640 HydrophobicContact CB-CB 4.22Å; D637-Q640 HydrophobicContact CB-CG 3.72Å; D637-Q640 WeakPolarHBondContact O-CB 3.28Å; D637-Q640 PolarHBondContact O-N 3.15Å; D637-Y762 HydrophobicContact CB-CD2 4.27Å; D637-Y762 HydrophobicContact CB-CE2 3.74Å; D637-Y762 PolarHBondContact N-OH 2.79Å
638	P	71.7	Confident	89.2	Confident	74 Å²	74	31.4 Å²	31.4	48%	0.481	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.8	176.4	-24.9	34.4	0	0	0	114.8	V606 K607 Q609 Q640	V606-P638 HydrophobicContact CG1-CG 4.21Å; K607-P638 WeakPolarHBondContact O-CA 3.36Å; Q609-P638 PolarHBondContact N-O 2.97Å; P638-Q640 VanDerWaalsContact C-N 3.25Å; P638-Q640 PolarHBondContact O-N 2.78Å
639	M	72	Confident	89.3	Confident	141 Å²	141	29.4 Å²	29.4	70%	0.695	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	3.3	178	-57.1	-62.4	-98.6	0	0	113.3	Q609 D637	Q609-M639 PolarHBondContact OE1-O 3.43Å; D637-M639 PolarHBondContact O-N 3.46Å; D637-M639 VanDerWaalsContact O-N 3.07Å; D637-M639 WeakPolarHBondContact OD1-CB 3.33Å; D637-M639 PolarHBondContact OD1-N 2.9Å
640	Q	77.8	Confident	89.2	Confident	44 Å²	44	33 Å²	33	21%	0.206	16%	0.164	C	C	.	.	S	Bend	trans	-120	159.8	-174.9	-60.5	-73.5	-13.7	0	0	111	L608 Q609 D637 P638 Y762	L608-Q640 WeakPolarHBondContact CD2-O 3.46Å; Q609-Q640 PolarHBondContact N-O 3Å; D637-Q640 HydrophobicContact CB-CB 4.22Å; D637-Q640 HydrophobicContact CB-CG 3.72Å; D637-Q640 WeakPolarHBondContact O-CB 3.28Å; D637-Q640 PolarHBondContact O-N 3.15Å; P638-Q640 VanDerWaalsContact C-N 3.25Å; P638-Q640 PolarHBondContact O-N 2.78Å; Q640-Y762 HydrophobicContact CB-CD1 4.01Å; Q640-Y762 HydrophobicContact CB-CE1 3.58Å; Q640-Y762 HydrophobicContact CG-CD1 3.38Å; Q640-Y762 HydrophobicContact CG-CE1 3.43Å; Q640-Y762 VanDerWaalsContact CG-CE1 3.43Å; Q640-Y762 HydrophobicContact CG-CG 4Å
641	N	80	Confident	89.2	Confident	80 Å²	80	28.7 Å²	28.7	43%	0.428	14%	0.144	S	C	.	.	S	Bend	trans	-98	4.4	-177.9	-64.5	-55.6	0	0	0	113.5	Q609 A610	Q609-N641 WeakPolarHBondContact CB-OD1 3.36Å; Q609-N641 PolarHBondContact OE1-ND2 3.47Å; A610-N641 PolarHBondContact N-OD1 2.92Å
642	Y	87.2	Confident	89.2	Confident	27 Å²	27	34.5 Å²	34.5	11%	0.106	17%	0.169	C	C	.	.	S	Bend	trans	-149.2	149.9	-177.7	64.2	-99.4	0	0	0	112.8	I644 Q723 K724 L761 Y762 D765	Y642-I644 HydrophobicContact CD2-CG2 4.21Å; Y642-I644 HydrophobicContact CE2-CG2 3.77Å; Y642-Q723 HydrophobicContact CD1-CG 4.25Å; Y642-Q723 HydrophobicContact CD2-CB 3.55Å; Y642-Q723 HydrophobicContact CD2-CG 3.78Å; Y642-Q723 HydrophobicContact CE2-CB 3.99Å; Y642-Q723 HydrophobicContact CG-CB 3.89Å; Y642-Q723 HydrophobicContact CG-CG 3.59Å; Y642-K724 HydrophobicContact CE2-CD 4.31Å; Y642-K724 PolarHBondContact OH-NZ 3.07Å; Y642-L761 PolarHBondContact OH-O 2.85Å; Y642-Y762 HydrophobicContact CD2-CE1 4.16Å; Y642-Y762 AromaticContact CE2-CD1 3.95Å; Y642-Y762 HydrophobicContact CE2-CD1 3.95Å; Y642-Y762 AromaticContact CE2-CE1 3.57Å; Y642-Y762 HydrophobicContact CE2-CE1 3.57Å; Y642-Y762 AromaticContact CZ-CD1 3.82Å; Y642-Y762 AromaticContact CZ-CE1 3.86Å; Y642-Y762 PolarHBondContact O-OH 3.22Å; Y642-Y762 WeakPolarHBondContact OH-CD1 3.49Å; Y642-D765 WeakPolarHBondContact CE1-OD2 3.42Å; Y642-D765 PolarHBondContact OH-OD2 3.21Å
643	P	93	Very high	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.			trans	-77.2	153.7	171.6	24.4	-26.8	0	0	0	112.3	V634 V636 F719 E720 P722 Q723	V634-P643 HydrophobicContact CG1-CB 3.86Å; V636-P643 HydrophobicContact CG2-CB 3.71Å; P643-F719 WeakPolarHBondContact CD-O 3.27Å; P643-E720 WeakPolarHBondContact CG-O 3.36Å; P643-P722 HydrophobicContact CG-CG 4.48Å; P643-P722 VanDerWaalsContact O-CA 3.23Å; P643-P722 WeakPolarHBondContact O-CA 3.3Å; P643-Q723 PolarHBondContact O-N 3.34Å; P643-Q723 VanDerWaalsContact O-N 3.07Å
644	I	94.9	Very high	89.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	168.9	161.8	64.7	174.3	0	0	0	109.1	Y635 Y642 F646 K724 I758 L761 Y762	Y635-I644 HydrophobicContact CD1-CD1 3.88Å; Y635-I644 HydrophobicContact CD1-CG1 3.9Å; Y635-I644 HydrophobicContact CG-CG1 4.42Å; Y635-I644 PolarHBondContact N-O 3.14Å; Y635-I644 PolarHBondContact O-N 3.24Å; Y635-I644 VanDerWaalsContact O-O 3.05Å; Y642-I644 HydrophobicContact CD2-CG2 4.21Å; Y642-I644 HydrophobicContact CE2-CG2 3.77Å; I644-F646 HydrophobicContact CD1-CE1 3.89Å; I644-F646 HydrophobicContact CD1-CZ 4.23Å; I644-F646 HydrophobicContact CG1-CE1 4.36Å; I644-K724 WeakPolarHBondContact CA-O 3.32Å; I644-K724 HydrophobicContact CG2-CB 3.96Å; I644-I758 HydrophobicContact CD1-CG1 4.18Å; I644-L761 HydrophobicContact CB-CD1 4.39Å; I644-L761 HydrophobicContact CD1-CB 4.22Å; I644-L761 HydrophobicContact CD1-CD1 3.92Å; I644-L761 HydrophobicContact CG2-CB 4.45Å; I644-Y762 HydrophobicContact CD1-CD2 4.18Å; I644-Y762 HydrophobicContact CD1-CE2 3.6Å; I644-Y762 HydrophobicContact CG1-CE2 4.04Å; I644-Y762 HydrophobicContact CG2-CE1 4Å; I644-Y762 HydrophobicContact CG2-CE2 4.34Å
645	C	96	Very high	89.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	174.6	58.8	0	0	0	0	112.5	I632 C633 V634 P722 K724 V725 A726	I632-C645 HydrophobicContact CD1-CB 3.95Å; I632-C645 HydrophobicContact CG1-CB 4.06Å; C633-C645 CarbonylContact O-C 3.51Å; C633-C645 VanDerWaalsContact O-CA 3.29Å; C633-C645 WeakPolarHBondContact O-CA 3.4Å; V634-C645 HydrophobicContact CG2-CB 4.32Å; C645-P722 HydrophobicContact CB-CB 4.33Å; C645-P722 HydrophobicContact CB-CG 4.28Å; C645-K724 PolarHBondContact N-O 2.92Å; C645-K724 VanDerWaalsContact N-O 3.12Å; C645-V725 CarbonylContact O-C 3.51Å; C645-V725 VanDerWaalsContact O-CA 3.25Å; C645-V725 WeakPolarHBondContact O-CA 3.41Å; C645-A726 PolarHBondContact O-N 2.89Å
646	F	96.8	Very high	89.2	Confident	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.5	169.1	-40.7	-46.3	0	0	0	107.8	I632 C633 Y635 I644 A726 W732 F754 I758	I632-F646 CarbonylContact C-O 3.56Å; I632-F646 WeakPolarHBondContact CA-O 3.42Å; C633-F646 HydrophobicContact CB-CB 4.44Å; C633-F646 HydrophobicContact CB-CD2 4.15Å; C633-F646 PolarHBondContact N-O 3.37Å; C633-F646 PolarHBondContact O-N 3.03Å; Y635-F646 HydrophobicContact CD1-CZ 4.45Å; Y635-F646 HydrophobicContact CD2-CE2 4.5Å; Y635-F646 HydrophobicContact CD2-CZ 4.49Å; Y635-F646 HydrophobicContact CG-CE2 4.25Å; Y635-F646 AromaticContact CG-CZ 3.94Å; Y635-F646 HydrophobicContact CG-CZ 3.94Å; I644-F646 HydrophobicContact CD1-CE1 3.89Å; I644-F646 HydrophobicContact CD1-CZ 4.23Å; I644-F646 HydrophobicContact CG1-CE1 4.36Å; F646-A726 CarbonylContact C-O 3.58Å; F646-A726 WeakPolarHBondContact CA-O 3.26Å; F646-A726 HydrophobicContact CD1-CB 4.1Å; F646-W732 HydrophobicContact CB-CH2 4.12Å; F646-W732 HydrophobicContact CB-CZ2 4.06Å; F646-W732 WeakPolarHBondContact O-CH2 3.27Å; F646-F754 HydrophobicContact CB-CD1 4.43Å; F646-F754 HydrophobicContact CB-CD2 3.8Å; F646-F754 HydrophobicContact CB-CE1 4.2Å; F646-F754 HydrophobicContact CB-CE2 3.58Å; F646-F754 HydrophobicContact CB-CG 4.24Å; F646-F754 HydrophobicContact CB-CZ 3.77Å; F646-F754 HydrophobicContact CD1-CB 3.98Å; F646-F754 AromaticContact CD1-CD1 3.95Å; F646-F754 HydrophobicContact CD1-CD1 3.95Å; F646-F754 HydrophobicContact CD1-CD2 4.07Å; F646-F754 HydrophobicContact CD1-CE1 4.45Å; F646-F754 AromaticContact CD1-CG 3.73Å; F646-F754 HydrophobicContact CD1-CG 3.73Å; F646-F754 HydrophobicContact CD2-CB 4.16Å; F646-F754 AromaticContact CD2-CD2 3.49Å; F646-F754 HydrophobicContact CD2-CD2 3.49Å; F646-F754 VanDerWaalsContact CD2-CD2 3.49Å; F646-F754 HydrophobicContact CD2-CE2 4.09Å; F646-F754 AromaticContact CD2-CG 3.92Å; F646-F754 HydrophobicContact CD2-CG 3.92Å; F646-F754 HydrophobicContact CE1-CB 3.77Å; F646-F754 HydrophobicContact CE1-CD1 4.49Å; F646-F754 HydrophobicContact CE1-CG 4.07Å; F646-F754 HydrophobicContact CE2-CB 3.95Å; F646-F754 HydrophobicContact CE2-CD2 4.09Å; F646-F754 HydrophobicContact CE2-CG 4.23Å; F646-F754 HydrophobicContact CG-CB 4.19Å; F646-F754 HydrophobicContact CG-CD1 4.14Å; F646-F754 AromaticContact CG-CD2 3.49Å; F646-F754 HydrophobicContact CG-CD2 3.49Å; F646-F754 VanDerWaalsContact CG-CD2 3.49Å; F646-F754 HydrophobicContact CG-CE1 4.4Å; F646-F754 AromaticContact CG-CE2 3.84Å; F646-F754 HydrophobicContact CG-CE2 3.84Å; F646-F754 AromaticContact CG-CG 3.67Å; F646-F754 HydrophobicContact CG-CG 3.67Å; F646-F754 HydrophobicContact CG-CZ 4.25Å; F646-F754 HydrophobicContact CZ-CB 3.78Å; F646-F754 HydrophobicContact CZ-CG 4.32Å; F646-I758 HydrophobicContact CE1-CG1 3.86Å; F646-I758 HydrophobicContact CE2-CD1 4.35Å; F646-I758 HydrophobicContact CZ-CD1 3.66Å; F646-I758 HydrophobicContact CZ-CG1 3.45Å; F646-I758 VanDerWaalsContact CZ-CG1 3.45Å
647	V	96.8	Very high	89.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.7	-177.7	172.9	0	0	0	0	109.1	V629 Q631 I632 P649 L707 V725 A726 L727 D728	V629-V647 HydrophobicContact CB-CG1 4.41Å; V629-V647 HydrophobicContact CG2-CG1 3.9Å; V629-V647 HydrophobicContact CG2-CG2 4.25Å; Q631-V647 WeakPolarHBondContact O-CA 3.42Å; I632-V647 HydrophobicContact CB-CG2 4.34Å; I632-V647 HydrophobicContact CD1-CG2 3.94Å; I632-V647 HydrophobicContact CG1-CG2 3.88Å; V647-P649 HydrophobicContact CG1-CB 4.27Å; V647-P649 VanDerWaalsContact O-CD 3.31Å; V647-P649 WeakPolarHBondContact O-CD 3.41Å; V647-L707 HydrophobicContact CG2-CD1 4.17Å; V647-V725 HydrophobicContact CB-CG2 4.33Å; V647-V725 HydrophobicContact CG2-CG2 3.78Å; V647-A726 PolarHBondContact N-O 3.06Å; V647-L727 HydrophobicContact CB-CD2 3.88Å; V647-L727 HydrophobicContact CG1-CD2 4.24Å; V647-L727 WeakPolarHBondContact O-CA 3.42Å; V647-D728 PolarHBondContact O-N 2.75Å
648	S	95	Very high	90.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	110.9	157	170	0	0	0	0	107	E630 Q631	E630-S648 WeakPolarHBondContact CA-O 3.32Å; E630-S648 VanDerWaalsContact CB-O 3.25Å; E630-S648 WeakPolarHBondContact CB-O 3.28Å; E630-S648 PolarHBondContact N-O 2.93Å; Q631-S648 PolarHBondContact N-O 3.37Å; Q631-S648 VanDerWaalsContact N-O 3.12Å; Q631-S648 PolarHBondContact O-N 3.48Å
649	P	94.8	Very high	91.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	152.6	-170.2	33.5	-31.4	0	0	0	112.8	Y628 V647 L651 L654 C694 D728	Y628-P649 CarbonylContact O-C 3.59Å; Y628-P649 WeakPolarHBondContact O-CA 3.12Å; V647-P649 HydrophobicContact CG1-CB 4.27Å; V647-P649 VanDerWaalsContact O-CD 3.31Å; V647-P649 WeakPolarHBondContact O-CD 3.41Å; P649-L651 PolarHBondContact O-N 3.41Å; P649-L651 VanDerWaalsContact O-N 3.13Å; P649-L654 HydrophobicContact CB-CD1 3.54Å; P649-L654 HydrophobicContact CB-CD2 4.24Å; P649-L654 HydrophobicContact CB-CG 3.88Å; P649-L654 HydrophobicContact CG-CD1 3.44Å; P649-L654 VanDerWaalsContact CG-CD1 3.44Å; P649-L654 HydrophobicContact CG-CG 4.32Å; P649-C694 VanDerWaalsContact CG-SG 3.56Å; P649-D728 WeakPolarHBondContact CD-O 3.46Å
650	K	92.9	Very high	92.2	Very high	74 Å²	74	35.6 Å²	35.6	32%	0.322	18%	0.181	S	C	.	.			trans	-65.6	105.7	164.8	-78.5	164.9	177.5	147.3	0	109	A627 Y628 V629 E630 K652 S653 L654	A627-K650 WeakPolarHBondContact O-CD 3.49Å; Y628-K650 PolarHBondContact O-N 3.2Å; V629-K650 WeakPolarHBondContact O-CD 3.3Å; V629-K650 WeakPolarHBondContact O-CE 3.48Å; V629-K650 PolarHBondContact O-NZ 3.13Å; E630-K650 HydrophobicContact CB-CG 4.08Å; E630-K650 WeakPolarHBondContact OE2-CE 3.25Å; E630-K650 WeakPolarHBondContact OE2-CG 3.45Å; K650-K652 VanDerWaalsContact C-N 3.28Å; K650-K652 PolarHBondContact O-N 3.47Å; K650-S653 WeakPolarHBondContact CB-OG 3.29Å; K650-S653 WeakPolarHBondContact O-CB 3.44Å; K650-S653 PolarHBondContact O-N 2.9Å; K650-S653 VanDerWaalsContact O-N 3.08Å; K650-L654 PolarHBondContact O-N 3.17Å
651	L	91.3	Very high	93	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-56.2	-43.4	-176.2	177.7	58.6	0	0	0	112	P649 S653 L654 I655 E686 E689 R690 L693	P649-L651 PolarHBondContact O-N 3.41Å; P649-L651 VanDerWaalsContact O-N 3.13Å; L651-S653 PolarHBondContact O-N 2.9Å; L651-L654 WeakPolarHBondContact O-CB 3.4Å; L651-L654 PolarHBondContact O-N 3.47Å; L651-L654 VanDerWaalsContact O-N 3.09Å; L651-I655 HydrophobicContact CD1-CD1 4.2Å; L651-I655 HydrophobicContact CD1-CG1 4.25Å; L651-I655 HydrophobicContact CG-CD1 3.97Å; L651-I655 HydrophobicContact CG-CG1 4.48Å; L651-I655 WeakPolarHBondContact O-CG1 3.11Å; L651-I655 PolarHBondContact O-N 2.72Å; L651-E686 HydrophobicContact CD2-CB 3.54Å; L651-E686 HydrophobicContact CD2-CG 3.54Å; L651-E689 HydrophobicContact CD1-CB 4.26Å; L651-R690 HydrophobicContact CD1-CB 4.06Å; L651-L693 HydrophobicContact CD1-CD1 4.34Å
652	K	91.5	Very high	93.6	Very high	159 Å²	159	39.1 Å²	39.1	69%	0.691	20%	0.2	S	C	*	.	H	α-helix	trans	-56.9	-47.5	176.5	-172	177.7	179.7	179.2	0	112.2	K650 L654 I655 D656	K650-K652 VanDerWaalsContact C-N 3.28Å; K650-K652 PolarHBondContact O-N 3.47Å; K652-L654 VanDerWaalsContact C-N 3.25Å; K652-L654 PolarHBondContact O-N 3.04Å; K652-I655 PolarHBondContact O-N 2.91Å; K652-I655 VanDerWaalsContact O-N 3.14Å; K652-D656 VanDerWaalsContact O-CG 3.29Å; K652-D656 PolarHBondContact O-N 3.15Å
653	S	93.1	Very high	93.9	Very high	27 Å²	27	38.3 Å²	38.3	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-32.9	177.3	-51.9	0	0	0	0	112.5	A627 K650 L651 L657	A627-S653 WeakPolarHBondContact O-CB 3.5Å; A627-S653 PolarHBondContact O-OG 2.7Å; K650-S653 WeakPolarHBondContact CB-OG 3.29Å; K650-S653 WeakPolarHBondContact O-CB 3.44Å; K650-S653 PolarHBondContact O-N 2.9Å; K650-S653 VanDerWaalsContact O-N 3.08Å; L651-S653 PolarHBondContact O-N 2.9Å; S653-L657 WeakPolarHBondContact O-CB 3.24Å; S653-L657 PolarHBondContact O-N 3.48Å
654	L	94.1	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72.5	-35.4	174.7	-66.4	-170.4	0	0	0	112.8	Y628 P649 K650 L651 K652 L657 A658 L693 I699 V703	Y628-L654 HydrophobicContact CD1-CD2 4.16Å; P649-L654 HydrophobicContact CB-CD1 3.54Å; P649-L654 HydrophobicContact CB-CD2 4.24Å; P649-L654 HydrophobicContact CB-CG 3.88Å; P649-L654 HydrophobicContact CG-CD1 3.44Å; P649-L654 VanDerWaalsContact CG-CD1 3.44Å; P649-L654 HydrophobicContact CG-CG 4.32Å; K650-L654 PolarHBondContact O-N 3.17Å; L651-L654 WeakPolarHBondContact O-CB 3.4Å; L651-L654 PolarHBondContact O-N 3.47Å; L651-L654 VanDerWaalsContact O-N 3.09Å; K652-L654 VanDerWaalsContact C-N 3.25Å; K652-L654 PolarHBondContact O-N 3.04Å; L654-L657 HydrophobicContact CD2-CD2 4.47Å; L654-L657 PolarHBondContact O-N 3.2Å; L654-A658 WeakPolarHBondContact O-CB 3.4Å; L654-A658 PolarHBondContact O-N 3.26Å; L654-L693 HydrophobicContact CB-CD1 3.82Å; L654-L693 HydrophobicContact CD1-CB 4.35Å; L654-I699 HydrophobicContact CD2-CG2 3.99Å; L654-V703 HydrophobicContact CD2-CG2 3.84Å
655	I	93.5	Very high	93.6	Very high	33 Å²	33	45.5 Å²	45.5	17%	0.169	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-48.4	174.5	-67.3	166.9	0	0	0	109.6	L651 K652 L657 A658 E659 L667 L693	L651-I655 HydrophobicContact CD1-CD1 4.2Å; L651-I655 HydrophobicContact CD1-CG1 4.25Å; L651-I655 HydrophobicContact CG-CD1 3.97Å; L651-I655 HydrophobicContact CG-CG1 4.48Å; L651-I655 WeakPolarHBondContact O-CG1 3.11Å; L651-I655 PolarHBondContact O-N 2.72Å; K652-I655 PolarHBondContact O-N 2.91Å; K652-I655 VanDerWaalsContact O-N 3.14Å; I655-L657 PolarHBondContact O-N 3.35Å; I655-A658 WeakPolarHBondContact O-CB 3.37Å; I655-A658 PolarHBondContact O-N 3.12Å; I655-E659 PolarHBondContact O-N 3.08Å; I655-L667 HydrophobicContact CG1-CD1 4.41Å; I655-L667 HydrophobicContact CG2-CD1 4.13Å; I655-L693 HydrophobicContact CG1-CD1 4.08Å
656	D	93.4	Very high	93.3	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-58.2	-39.1	176.5	-62.2	-19	0	0	0	111.1	K652 E659 S660	K652-D656 VanDerWaalsContact O-CG 3.29Å; K652-D656 PolarHBondContact O-N 3.15Å; D656-E659 PolarHBondContact O-N 2.88Å; D656-S660 PolarHBondContact O-N 3.46Å; D656-S660 VanDerWaalsContact O-N 3.08Å
657	L	93.9	Very high	93	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-42.7	174	178.4	61.8	0	0	0	112.2	Y628 S653 L654 I655 E659 S660 L661 I699 A702 V703	Y628-L657 HydrophobicContact CD1-CD2 4.34Å; Y628-L657 HydrophobicContact CE1-CB 3.9Å; Y628-L657 HydrophobicContact CE1-CD2 3.81Å; Y628-L657 HydrophobicContact CE1-CG 4.3Å; S653-L657 WeakPolarHBondContact O-CB 3.24Å; S653-L657 PolarHBondContact O-N 3.48Å; L654-L657 HydrophobicContact CD2-CD2 4.47Å; L654-L657 PolarHBondContact O-N 3.2Å; I655-L657 PolarHBondContact O-N 3.35Å; L657-E659 VanDerWaalsContact C-N 3.31Å; L657-E659 PolarHBondContact O-N 3.49Å; L657-S660 PolarHBondContact O-N 3.07Å; L657-S660 PolarHBondContact O-OG 3.34Å; L657-L661 HydrophobicContact CD1-CD1 3.94Å; L657-L661 HydrophobicContact CD1-CG 4.2Å; L657-L661 HydrophobicContact CG-CD1 4.05Å; L657-L661 WeakPolarHBondContact O-CG 3.24Å; L657-L661 PolarHBondContact O-N 3.11Å; L657-I699 HydrophobicContact CD2-CD1 4.05Å; L657-I699 HydrophobicContact CD2-CG2 4.28Å; L657-I699 HydrophobicContact CG-CD1 3.98Å; L657-A702 HydrophobicContact CD1-CB 4.08Å; L657-A702 HydrophobicContact CD2-CB 3.94Å; L657-V703 HydrophobicContact CD2-CG2 4.12Å
658	A	94.3	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-37.9	177.4	0	0	0	0	0	111.8	L654 I655 L661 N662 L663 L693 I699	L654-A658 WeakPolarHBondContact O-CB 3.4Å; L654-A658 PolarHBondContact O-N 3.26Å; I655-A658 WeakPolarHBondContact O-CB 3.37Å; I655-A658 PolarHBondContact O-N 3.12Å; A658-L661 PolarHBondContact O-N 3.31Å; A658-N662 PolarHBondContact O-N 3.27Å; A658-L663 HydrophobicContact CB-CB 4.2Å; A658-L663 PolarHBondContact O-N 3.28Å; A658-L693 HydrophobicContact CB-CD2 3.7Å; A658-I699 HydrophobicContact CB-CD1 4.23Å
659	E	93.8	Very high	92.3	Very high	109 Å²	109	56.6 Å²	56.6	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-48.2	171.3	-71.3	-178.3	-178	0	0	111.5	I655 D656 L657 L661 N662 V664	I655-E659 PolarHBondContact O-N 3.08Å; D656-E659 PolarHBondContact O-N 2.88Å; L657-E659 VanDerWaalsContact C-N 3.31Å; L657-E659 PolarHBondContact O-N 3.49Å; E659-L661 PolarHBondContact O-N 3.45Å; E659-N662 PolarHBondContact O-N 3.25Å; E659-N662 VanDerWaalsContact O-N 3.07Å; E659-V664 HydrophobicContact CB-CG2 4.16Å; E659-V664 HydrophobicContact CG-CG2 3.66Å
660	S	93	Very high	92	Very high	81 Å²	81	56.7 Å²	56.7	57%	0.566	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-26.7	179	79.3	0	0	0	0	113.8	D656 L657	D656-S660 PolarHBondContact O-N 3.46Å; D656-S660 VanDerWaalsContact O-N 3.08Å; L657-S660 PolarHBondContact O-N 3.07Å; L657-S660 PolarHBondContact O-OG 3.34Å
661	L	94	Very high	91.8	Very high	61 Å²	61	58 Å²	58	32%	0.319	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.6	179.1	-64.5	177.2	0	0	0	113.5	L657 A658 E659 L663 I699 A702	L657-L661 HydrophobicContact CD1-CD1 3.94Å; L657-L661 HydrophobicContact CD1-CG 4.2Å; L657-L661 HydrophobicContact CG-CD1 4.05Å; L657-L661 WeakPolarHBondContact O-CG 3.24Å; L657-L661 PolarHBondContact O-N 3.11Å; A658-L661 PolarHBondContact O-N 3.31Å; E659-L661 PolarHBondContact O-N 3.45Å; L661-L663 HydrophobicContact CB-CD1 3.93Å; L661-L663 HydrophobicContact CB-CG 3.93Å; L661-L663 HydrophobicContact CD1-CD1 4.23Å; L661-L663 PolarHBondContact O-N 3.44Å; L661-I699 HydrophobicContact CD1-CD1 4.04Å; L661-A702 HydrophobicContact CD1-CB 4.41Å
662	N	92.8	Very high	91.5	Very high	136 Å²	136	61.1 Å²	61.1	73%	0.727	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	30.1	-175.2	-57.4	-66.3	0	0	0	114.3	A658 E659 H665	A658-N662 PolarHBondContact O-N 3.27Å; E659-N662 PolarHBondContact O-N 3.25Å; E659-N662 VanDerWaalsContact O-N 3.07Å; N662-H665 PolarHBondContact O-ND1 2.81Å
663	L	93	Very high	91.3	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	31%	0.311	C	S	.	.			trans	-97	11.2	-179.4	-63.3	177.8	0	0	0	113.6	A658 L661 H665 L666 H696 Q698 I699	A658-L663 HydrophobicContact CB-CB 4.2Å; A658-L663 PolarHBondContact O-N 3.28Å; L661-L663 HydrophobicContact CB-CD1 3.93Å; L661-L663 HydrophobicContact CB-CG 3.93Å; L661-L663 HydrophobicContact CD1-CD1 4.23Å; L661-L663 PolarHBondContact O-N 3.44Å; L663-H665 PolarHBondContact O-N 3.36Å; L663-H665 VanDerWaalsContact O-N 3.14Å; L663-L666 HydrophobicContact CB-CD1 3.99Å; L663-L666 HydrophobicContact CB-CG 4.46Å; L663-L666 HydrophobicContact CD1-CD1 4.48Å; L663-L666 HydrophobicContact CD2-CD1 4.23Å; L663-L666 HydrophobicContact CG-CD1 4.46Å; L663-L666 VanDerWaalsContact O-CB 3.26Å; L663-L666 WeakPolarHBondContact O-CB 3.44Å; L663-L666 WeakPolarHBondContact O-CG 3.44Å; L663-L666 PolarHBondContact O-N 2.93Å; L663-H696 VanDerWaalsContact CD1-CE1 3.49Å; L663-H696 WeakPolarHBondContact CD1-CE1 3.44Å; L663-H696 WeakPolarHBondContact CD1-ND1 3.5Å; L663-Q698 HydrophobicContact CD1-CB 4.29Å; L663-I699 HydrophobicContact CD1-CD1 4.01Å; L663-I699 HydrophobicContact CD1-CG1 4.06Å
664	V	90.4	Very high	90.9	Very high	45 Å²	45	60.3 Å²	60.3	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-57.7	-30	-179.4	-169.8	0	0	0	0	112.6	E659 L666 L667 H668	E659-V664 HydrophobicContact CB-CG2 4.16Å; E659-V664 HydrophobicContact CG-CG2 3.66Å; V664-L666 PolarHBondContact O-N 3.45Å; V664-L667 WeakPolarHBondContact O-CB 3.25Å; V664-L667 PolarHBondContact O-N 2.99Å; V664-H668 PolarHBondContact O-CD2 3.12Å; V664-H668 PolarHBondContact O-N 3.01Å
665	H	90.9	Very high	90.5	Very high	106 Å²	106	64 Å²	64	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-56.9	-31.9	175.6	66.7	-86.5	0	0	0	112.6	N662 L663 L667 H668 E669	N662-H665 PolarHBondContact O-ND1 2.81Å; L663-H665 PolarHBondContact O-N 3.36Å; L663-H665 VanDerWaalsContact O-N 3.14Å; H665-L667 VanDerWaalsContact C-N 3.31Å; H665-L667 PolarHBondContact O-N 3.46Å; H665-H668 PolarHBondContact O-N 2.73Å; H665-E669 WeakPolarHBondContact O-CB 3.4Å; H665-E669 PolarHBondContact O-N 2.72Å
666	L	89.8	Confident	89.8	Confident	23 Å²	23	69.7 Å²	69.7	12%	0.12	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-38.5	175.4	-62.1	178.5	0	0	0	111.7	L663 V664 E669 A670 V692 H696	L663-L666 HydrophobicContact CB-CD1 3.99Å; L663-L666 HydrophobicContact CB-CG 4.46Å; L663-L666 HydrophobicContact CD1-CD1 4.48Å; L663-L666 HydrophobicContact CD2-CD1 4.23Å; L663-L666 HydrophobicContact CG-CD1 4.46Å; L663-L666 VanDerWaalsContact O-CB 3.26Å; L663-L666 WeakPolarHBondContact O-CB 3.44Å; L663-L666 WeakPolarHBondContact O-CG 3.44Å; L663-L666 PolarHBondContact O-N 2.93Å; V664-L666 PolarHBondContact O-N 3.45Å; L666-E669 PolarHBondContact O-N 3.41Å; L666-A670 WeakPolarHBondContact O-CB 3.49Å; L666-A670 PolarHBondContact O-N 2.9Å; L666-V692 HydrophobicContact CB-CG1 3.94Å; L666-H696 HydrophobicContact CD1-CB 4.44Å; L666-H696 WeakPolarHBondContact CD1-CD2 3.33Å
667	L	89.7	Confident	89.2	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-43	177.6	-58.9	174	0	0	0	110.7	I655 V664 H665 A670 R671 E689 L693	I655-L667 HydrophobicContact CG1-CD1 4.41Å; I655-L667 HydrophobicContact CG2-CD1 4.13Å; V664-L667 WeakPolarHBondContact O-CB 3.25Å; V664-L667 PolarHBondContact O-N 2.99Å; H665-L667 VanDerWaalsContact C-N 3.31Å; H665-L667 PolarHBondContact O-N 3.46Å; L667-A670 PolarHBondContact O-N 2.97Å; L667-R671 WeakPolarHBondContact O-CB 3.18Å; L667-R671 WeakPolarHBondContact O-CG 3.33Å; L667-R671 PolarHBondContact O-N 3.41Å; L667-E689 HydrophobicContact CD2-CB 3.96Å; L667-E689 HydrophobicContact CD2-CG 3.82Å; L667-L693 HydrophobicContact CD2-CD1 3.9Å; L667-L693 HydrophobicContact CD2-CD2 4.01Å; L667-L693 HydrophobicContact CD2-CG 3.88Å
668	H	89	Confident	88.5	Confident	114 Å²	114	75.7 Å²	75.7	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.9	-69.2	-63	0	0	0	112.4	V664 H665 S672	V664-H668 PolarHBondContact O-CD2 3.12Å; V664-H668 PolarHBondContact O-N 3.01Å; H665-H668 PolarHBondContact O-N 2.73Å; H668-S672 WeakPolarHBondContact O-CB 3.31Å; H668-S672 PolarHBondContact O-N 3.46Å
669	E	89.5	Confident	87.6	Confident	92 Å²	92	80 Å²	80	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-67	-37.4	176.7	-165.3	-164.8	148.5	0	0	112.2	H665 L666 S672 K673	H665-E669 WeakPolarHBondContact O-CB 3.4Å; H665-E669 PolarHBondContact O-N 2.72Å; L666-E669 PolarHBondContact O-N 3.41Å; E669-S672 PolarHBondContact O-N 2.93Å; E669-S672 PolarHBondContact O-OG 3.47Å; E669-K673 WeakPolarHBondContact O-CG 3.41Å; E669-K673 PolarHBondContact O-N 2.94Å; E669-K673 WeakPolarHBondContact OE1-CE 3.27Å; E669-K673 IonicContact OE1-NZ 3.88Å; E669-K673 PolarHBondContact OE1-NZ 2.73Å
670	A	87.8	Confident	86.9	Confident	4 Å²	4	84.4 Å²	84.4	3%	0.033	43%	0.428	C	S	.	.	H	α-helix	trans	-67.4	-46.3	177.3	0	0	0	0	0	110.8	L666 L667 S672 K673 V688 V692	L666-A670 WeakPolarHBondContact O-CB 3.49Å; L666-A670 PolarHBondContact O-N 2.9Å; L667-A670 PolarHBondContact O-N 2.97Å; A670-S672 VanDerWaalsContact C-N 3.3Å; A670-S672 PolarHBondContact O-N 2.95Å; A670-K673 PolarHBondContact O-N 2.88Å; A670-V688 HydrophobicContact CB-CG1 3.5Å; A670-V688 VanDerWaalsContact CB-CG1 3.5Å; A670-V688 WeakPolarHBondContact O-CG1 3.32Å; A670-V692 HydrophobicContact CB-CB 4.25Å; A670-V692 HydrophobicContact CB-CG2 3.63Å
671	R	88.5	Confident	86.2	Confident	101 Å²	101	81.9 Å²	81.9	38%	0.381	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-33	176.3	-70.8	172.4	-176.3	-178.9	4.7	112.6	L667 K673 L674 M679 I685 E689	L667-R671 WeakPolarHBondContact O-CB 3.18Å; L667-R671 WeakPolarHBondContact O-CG 3.33Å; L667-R671 PolarHBondContact O-N 3.41Å; R671-K673 VanDerWaalsContact C-N 3.27Å; R671-K673 PolarHBondContact O-N 3.23Å; R671-L674 WeakPolarHBondContact O-CB 3.03Å; R671-L674 PolarHBondContact O-N 3.17Å; R671-M679 WeakPolarHBondContact O-CE 3.36Å; R671-I685 HydrophobicContact CG-CG2 4.41Å; R671-E689 IonicContact CZ-OE1 2.7Å; R671-E689 IonicContact NE-OE1 3.02Å; R671-E689 PolarHBondContact NE-OE1 3.43Å; R671-E689 IonicContact NH2-OE1 2.91Å; R671-E689 PolarHBondContact NH2-OE1 3.45Å
672	S	86	Confident	85.5	Confident	79 Å²	79	82.1 Å²	82.1	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-72.3	-19.9	179.1	71.5	0	0	0	0	113.7	H668 E669 A670 L674	H668-S672 WeakPolarHBondContact O-CB 3.31Å; H668-S672 PolarHBondContact O-N 3.46Å; E669-S672 PolarHBondContact O-N 2.93Å; E669-S672 PolarHBondContact O-OG 3.47Å; A670-S672 VanDerWaalsContact C-N 3.3Å; A670-S672 PolarHBondContact O-N 2.95Å; S672-L674 VanDerWaalsContact C-N 3.32Å
673	K	87.1	Confident	84.8	Confident	147 Å²	147	79.5 Å²	79.5	64%	0.639	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-8.1	174.9	-68.3	171.6	-173.4	168.4	0	113.3	E669 A670 R671	E669-K673 WeakPolarHBondContact O-CG 3.41Å; E669-K673 PolarHBondContact O-N 2.94Å; E669-K673 WeakPolarHBondContact OE1-CE 3.27Å; E669-K673 IonicContact OE1-NZ 3.88Å; E669-K673 PolarHBondContact OE1-NZ 2.73Å; A670-K673 PolarHBondContact O-N 2.88Å; R671-K673 VanDerWaalsContact C-N 3.27Å; R671-K673 PolarHBondContact O-N 3.23Å
674	L	85.2	Confident	84.3	Confident	22 Å²	22	79.9 Å²	79.9	12%	0.115	41%	0.405	C	S	.	.	S	Bend	trans	-72.2	141.6	176.7	-79.4	166.4	0	0	0	111.1	R671 S672 M679 A684 I685 V688	R671-L674 WeakPolarHBondContact O-CB 3.03Å; R671-L674 PolarHBondContact O-N 3.17Å; S672-L674 VanDerWaalsContact C-N 3.32Å; L674-M679 HydrophobicContact CB-CG 4.27Å; L674-A684 HydrophobicContact CD2-CB 4.28Å; L674-I685 HydrophobicContact CD1-CG1 4.08Å; L674-V688 HydrophobicContact CD1-CG2 4.49Å; L674-V688 HydrophobicContact CD2-CG2 3.69Å; L674-V688 HydrophobicContact CG-CG2 4.14Å
675	P	84.2	Confident	84	Confident	79 Å²	79	79.5 Å²	79.5	51%	0.513	40%	0.401	S	S	.	.			trans	-54.5	143.9	167.2	-22.2	32.6	0	0	0	111	E677 S678 M679	P675-E677 PolarHBondContact O-N 3.47Å; P675-E677 VanDerWaalsContact O-N 3.08Å; P675-S678 PolarHBondContact O-N 3.35Å; P675-M679 PolarHBondContact O-N 3.13Å
676	I	79.5	Confident	83.8	Confident	152 Å²	152	78.5 Å²	78.5	78%	0.779	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.8	-178.1	-63.6	170.8	0	0	0	111.5	S678 M679	I676-S678 VanDerWaalsContact C-N 3.33Å; I676-S678 PolarHBondContact O-N 3.41Å; I676-M679 PolarHBondContact O-N 3.08Å
677	E	79.9	Confident	83.6	Confident	186 Å²	186	82 Å²	82	87%	0.869	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.7	178	-62.3	176.7	-175.3	0	0	112.9	P675	P675-E677 PolarHBondContact O-N 3.47Å; P675-E677 VanDerWaalsContact O-N 3.08Å
678	S	79.7	Confident	83.6	Confident	37 Å²	37	83.5 Å²	83.5	26%	0.259	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.7	-178.7	-50.2	0	0	0	0	113.6	P675 I676 K680 D681	P675-S678 PolarHBondContact O-N 3.35Å; I676-S678 VanDerWaalsContact C-N 3.33Å; I676-S678 PolarHBondContact O-N 3.41Å; S678-K680 PolarHBondContact O-N 3.4Å; S678-K680 VanDerWaalsContact O-N 3.12Å; S678-D681 PolarHBondContact O-N 3.49Å
679	M	76.9	Confident	83.6	Confident	91 Å²	91	78.4 Å²	78.4	45%	0.448	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.3	-178.9	-72.7	-172.5	128.3	0	0	114.3	R671 L674 P675 I676	R671-M679 WeakPolarHBondContact O-CE 3.36Å; L674-M679 HydrophobicContact CB-CG 4.27Å; P675-M679 PolarHBondContact O-N 3.13Å; I676-M679 PolarHBondContact O-N 3.08Å
680	K	78	Confident	83.7	Confident	200 Å²	200	75.6 Å²	75.6	87%	0.87	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-7.5	174.4	-66.4	-175.6	-179.2	178	0	113.1	S678 S682	S678-K680 PolarHBondContact O-N 3.4Å; S678-K680 VanDerWaalsContact O-N 3.12Å; K680-S682 PolarHBondContact O-N 3.46Å
681	D	79.5	Confident	83.8	Confident	29 Å²	29	76.7 Å²	76.7	16%	0.155	39%	0.392	C	S	.	.			trans	-83.9	112.5	179.8	175.3	10.4	0	0	0	110.1	P85 S678 I683 A684 I685	P85-D681 HydrophobicContact CB-CB 4.47Å; P85-D681 WeakPolarHBondContact CB-OD1 3.39Å; S678-D681 PolarHBondContact O-N 3.49Å; D681-I683 PolarHBondContact O-N 3.22Å; D681-I683 PolarHBondContact OD1-N 2.94Å; D681-A684 HydrophobicContact CB-CB 3.91Å; D681-A684 PolarHBondContact O-N 3.36Å; D681-A684 WeakPolarHBondContact OD2-CB 3.24Å; D681-A684 PolarHBondContact OD2-N 3.3Å; D681-I685 WeakPolarHBondContact O-CD1 2.95Å; D681-I685 VanDerWaalsContact O-CG1 3.24Å; D681-I685 WeakPolarHBondContact O-CG1 3.29Å; D681-I685 PolarHBondContact O-N 3Å
682	S	79.3	Confident	84	Confident	65 Å²	65	74.3 Å²	74.3	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-57.6	-35	177.9	-164.9	0	0	0	0	112.4	K680 E686	K680-S682 PolarHBondContact O-N 3.46Å; S682-E686 WeakPolarHBondContact O-CB 3.17Å; S682-E686 VanDerWaalsContact O-CG 3.3Å; S682-E686 WeakPolarHBondContact O-CG 3.21Å; S682-E686 PolarHBondContact O-N 3.44Å
683	I	77.8	Confident	84.4	Confident	81 Å²	81	70.5 Å²	70.5	42%	0.415	36%	0.363	S	S	.	.	H	α-helix	trans	-75.8	-44.1	-176.4	-63.7	166.5	0	0	0	110.1	P85 D86 D681 I685 E686 H687	P85-I683 HydrophobicContact CB-CD1 4.47Å; D86-I683 HydrophobicContact CB-CD1 3.8Å; D681-I683 PolarHBondContact O-N 3.22Å; D681-I683 PolarHBondContact OD1-N 2.94Å; I683-I685 VanDerWaalsContact C-N 3.28Å; I683-I685 PolarHBondContact O-N 3.35Å; I683-E686 PolarHBondContact O-N 3.09Å; I683-H687 WeakPolarHBondContact O-CB 3.24Å; I683-H687 PolarHBondContact O-N 3.19Å
684	A	81.7	Confident	84.8	Confident	19 Å²	19	63.7 Å²	63.7	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-41.4	173.6	0	0	0	0	0	111.7	L674 D681 H687 V688	L674-A684 HydrophobicContact CD2-CB 4.28Å; D681-A684 HydrophobicContact CB-CB 3.91Å; D681-A684 PolarHBondContact O-N 3.36Å; D681-A684 WeakPolarHBondContact OD2-CB 3.24Å; D681-A684 PolarHBondContact OD2-N 3.3Å; A684-H687 PolarHBondContact O-N 2.87Å; A684-V688 WeakPolarHBondContact O-CG2 3.49Å; A684-V688 PolarHBondContact O-N 3.41Å; A684-V688 VanDerWaalsContact O-N 3.1Å
685	I	84.7	Confident	85.1	Confident	38 Å²	38	70 Å²	70	20%	0.195	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-54.9	174.3	-67.3	164.8	0	0	0	110.2	R671 L674 D681 I683 H687 V688 E689	R671-I685 HydrophobicContact CG-CG2 4.41Å; L674-I685 HydrophobicContact CD1-CG1 4.08Å; D681-I685 WeakPolarHBondContact O-CD1 2.95Å; D681-I685 VanDerWaalsContact O-CG1 3.24Å; D681-I685 WeakPolarHBondContact O-CG1 3.29Å; D681-I685 PolarHBondContact O-N 3Å; I683-I685 VanDerWaalsContact C-N 3.28Å; I683-I685 PolarHBondContact O-N 3.35Å; I685-H687 VanDerWaalsContact C-N 3.26Å; I685-H687 PolarHBondContact O-N 3.46Å; I685-V688 PolarHBondContact O-N 2.86Å; I685-E689 HydrophobicContact CG2-CG 4.18Å; I685-E689 VanDerWaalsContact CG2-OE1 3.23Å; I685-E689 WeakPolarHBondContact CG2-OE1 3.25Å; I685-E689 WeakPolarHBondContact O-CB 3.1Å; I685-E689 VanDerWaalsContact O-CG 3.24Å; I685-E689 WeakPolarHBondContact O-CG 3.32Å; I685-E689 PolarHBondContact O-N 2.9Å
686	E	86	Confident	85.6	Confident	85 Å²	85	68.3 Å²	68.3	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-37.6	-179.5	-76.4	-173.8	-162.7	0	0	112.7	L651 S682 I683 R690	L651-E686 HydrophobicContact CD2-CB 3.54Å; L651-E686 HydrophobicContact CD2-CG 3.54Å; S682-E686 WeakPolarHBondContact O-CB 3.17Å; S682-E686 VanDerWaalsContact O-CG 3.3Å; S682-E686 WeakPolarHBondContact O-CG 3.21Å; S682-E686 PolarHBondContact O-N 3.44Å; I683-E686 PolarHBondContact O-N 3.09Å; E686-R690 WeakPolarHBondContact O-CB 3.31Å; E686-R690 PolarHBondContact O-N 2.8Å
687	H	86.1	Confident	86.3	Confident	97 Å²	97	65.7 Å²	65.7	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-47.2	178.6	-174.6	78.1	0	0	0	111.7	I683 A684 I685 R690 A691	I683-H687 WeakPolarHBondContact O-CB 3.24Å; I683-H687 PolarHBondContact O-N 3.19Å; A684-H687 PolarHBondContact O-N 2.87Å; I685-H687 VanDerWaalsContact C-N 3.26Å; I685-H687 PolarHBondContact O-N 3.46Å; H687-R690 PolarHBondContact O-N 2.92Å; H687-A691 VanDerWaalsContact O-CB 3.3Å; H687-A691 WeakPolarHBondContact O-CB 3.35Å; H687-A691 PolarHBondContact O-N 3.44Å
688	V	88.4	Confident	87	Confident	35 Å²	35	61.8 Å²	61.8	21%	0.212	32%	0.32	C	S	.	.	H	α-helix	trans	-69	-39.8	-179.9	167.8	0	0	0	0	111.5	A670 L674 A684 I685 A691 V692	A670-V688 HydrophobicContact CB-CG1 3.5Å; A670-V688 VanDerWaalsContact CB-CG1 3.5Å; A670-V688 WeakPolarHBondContact O-CG1 3.32Å; L674-V688 HydrophobicContact CD1-CG2 4.49Å; L674-V688 HydrophobicContact CD2-CG2 3.69Å; L674-V688 HydrophobicContact CG-CG2 4.14Å; A684-V688 WeakPolarHBondContact O-CG2 3.49Å; A684-V688 PolarHBondContact O-N 3.41Å; A684-V688 VanDerWaalsContact O-N 3.1Å; I685-V688 PolarHBondContact O-N 2.86Å; V688-A691 PolarHBondContact O-N 3.19Å; V688-V692 PolarHBondContact O-N 3.37Å; V688-V692 VanDerWaalsContact O-N 3.12Å
689	E	90.4	Very high	87.8	Confident	7 Å²	7	60 Å²	60	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-48.8	174	-70.8	177.3	169	0	0	111.8	L651 L667 R671 I685 A691 V692 L693	L651-E689 HydrophobicContact CD1-CB 4.26Å; L667-E689 HydrophobicContact CD2-CB 3.96Å; L667-E689 HydrophobicContact CD2-CG 3.82Å; R671-E689 IonicContact CZ-OE1 2.7Å; R671-E689 IonicContact NE-OE1 3.02Å; R671-E689 PolarHBondContact NE-OE1 3.43Å; R671-E689 IonicContact NH2-OE1 2.91Å; R671-E689 PolarHBondContact NH2-OE1 3.45Å; I685-E689 HydrophobicContact CG2-CG 4.18Å; I685-E689 VanDerWaalsContact CG2-OE1 3.23Å; I685-E689 WeakPolarHBondContact CG2-OE1 3.25Å; I685-E689 WeakPolarHBondContact O-CB 3.1Å; I685-E689 VanDerWaalsContact O-CG 3.24Å; I685-E689 WeakPolarHBondContact O-CG 3.32Å; I685-E689 PolarHBondContact O-N 2.9Å; E689-A691 VanDerWaalsContact C-N 3.31Å; E689-A691 PolarHBondContact O-N 2.88Å; E689-V692 PolarHBondContact O-N 3.49Å; E689-L693 WeakPolarHBondContact O-CB 3.34Å; E689-L693 VanDerWaalsContact O-CG 3.32Å; E689-L693 WeakPolarHBondContact O-CG 3.3Å; E689-L693 PolarHBondContact O-N 3.28Å
690	R	90.9	Very high	88.7	Confident	33 Å²	33	57.9 Å²	57.9	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-44	176.5	-169.4	-179.6	-88.6	116.9	-9.1	110.6	L651 E686 H687 V692 L693 C694 T729	L651-R690 HydrophobicContact CD1-CB 4.06Å; E686-R690 WeakPolarHBondContact O-CB 3.31Å; E686-R690 PolarHBondContact O-N 2.8Å; H687-R690 PolarHBondContact O-N 2.92Å; R690-V692 VanDerWaalsContact C-N 3.34Å; R690-V692 PolarHBondContact O-N 3.5Å; R690-L693 PolarHBondContact O-N 3.38Å; R690-C694 WeakPolarHBondContact O-CB 3.28Å; R690-C694 PolarHBondContact O-N 3.35Å; R690-C694 PolarHBondContact O-SG 3.43Å; R690-T729 VanDerWaalsContact CD-C 3.49Å; R690-T729 WeakPolarHBondContact CD-O 3.42Å
691	A	90.5	Very high	89.6	Confident	27 Å²	27	52.7 Å²	52.7	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-38.8	-179.5	0	0	0	0	0	113.6	H687 V688 E689 K695 T729	H687-A691 VanDerWaalsContact O-CB 3.3Å; H687-A691 WeakPolarHBondContact O-CB 3.35Å; H687-A691 PolarHBondContact O-N 3.44Å; V688-A691 PolarHBondContact O-N 3.19Å; E689-A691 VanDerWaalsContact C-N 3.31Å; E689-A691 PolarHBondContact O-N 2.88Å; A691-K695 WeakPolarHBondContact O-CG 3.4Å; A691-T729 HydrophobicContact CB-CG2 4.35Å
692	V	93.1	Very high	90.3	Very high	51 Å²	51	52.5 Å²	52.5	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-78.4	-45	179.2	174.2	0	0	0	0	111.6	L666 A670 V688 E689 R690 K695 H696	L666-V692 HydrophobicContact CB-CG1 3.94Å; A670-V692 HydrophobicContact CB-CB 4.25Å; A670-V692 HydrophobicContact CB-CG2 3.63Å; V688-V692 PolarHBondContact O-N 3.37Å; V688-V692 VanDerWaalsContact O-N 3.12Å; E689-V692 PolarHBondContact O-N 3.49Å; R690-V692 VanDerWaalsContact C-N 3.34Å; R690-V692 PolarHBondContact O-N 3.5Å; V692-K695 PolarHBondContact O-N 3.27Å; V692-H696 PolarHBondContact O-N 2.68Å
693	L	94	Very high	91.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-43.1	-179.1	-68.4	-178.5	0	0	0	112.3	L651 L654 I655 A658 L667 E689 R690 K695 H696 I699	L651-L693 HydrophobicContact CD1-CD1 4.34Å; L654-L693 HydrophobicContact CB-CD1 3.82Å; L654-L693 HydrophobicContact CD1-CB 4.35Å; I655-L693 HydrophobicContact CG1-CD1 4.08Å; A658-L693 HydrophobicContact CB-CD2 3.7Å; L667-L693 HydrophobicContact CD2-CD1 3.9Å; L667-L693 HydrophobicContact CD2-CD2 4.01Å; L667-L693 HydrophobicContact CD2-CG 3.88Å; E689-L693 WeakPolarHBondContact O-CB 3.34Å; E689-L693 VanDerWaalsContact O-CG 3.32Å; E689-L693 WeakPolarHBondContact O-CG 3.3Å; E689-L693 PolarHBondContact O-N 3.28Å; R690-L693 PolarHBondContact O-N 3.38Å; L693-K695 PolarHBondContact O-N 3.5Å; L693-H696 PolarHBondContact O-N 2.86Å; L693-I699 HydrophobicContact CD2-CG1 4.48Å; L693-I699 WeakPolarHBondContact O-CB 3.49Å; L693-I699 WeakPolarHBondContact O-CG2 3.34Å
694	C	94.5	Very high	92.1	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-22	-177.3	-69.5	0	0	0	0	113.7	P649 R690 I700 L727 D728 T729	P649-C694 VanDerWaalsContact CG-SG 3.56Å; R690-C694 WeakPolarHBondContact O-CB 3.28Å; R690-C694 PolarHBondContact O-N 3.35Å; R690-C694 PolarHBondContact O-SG 3.43Å; C694-I700 WeakPolarHBondContact O-CD1 3.24Å; C694-I700 WeakPolarHBondContact O-CG1 3.49Å; C694-L727 HydrophobicContact CB-CB 3.68Å; C694-D728 PolarHBondContact SG-O 3.08Å; C694-T729 HydrophobicContact CB-CG2 4.2Å
695	K	92.9	Very high	92.8	Very high	156 Å²	156	51.8 Å²	51.8	68%	0.678	26%	0.261	S	S	*	.	H	α-helix	trans	-95.3	-7.6	177.8	-66.5	-174	178.5	-173	0	113.5	A691 V692 L693 P697	A691-K695 WeakPolarHBondContact O-CG 3.4Å; V692-K695 PolarHBondContact O-N 3.27Å; L693-K695 PolarHBondContact O-N 3.5Å; K695-P697 WeakPolarHBondContact O-CD 3.39Å
696	H	95	Very high	93.4	Very high	43 Å²	43	50.5 Å²	50.5	20%	0.199	26%	0.255	C	S	.	.			trans	-79.3	123.1	-174.6	-167.7	-93.2	0	0	0	111.7	L663 L666 V692 L693 Q698 I699 I700	L663-H696 VanDerWaalsContact CD1-CE1 3.49Å; L663-H696 WeakPolarHBondContact CD1-CE1 3.44Å; L663-H696 WeakPolarHBondContact CD1-ND1 3.5Å; L666-H696 HydrophobicContact CD1-CB 4.44Å; L666-H696 WeakPolarHBondContact CD1-CD2 3.33Å; V692-H696 PolarHBondContact O-N 2.68Å; L693-H696 PolarHBondContact O-N 2.86Å; H696-Q698 VanDerWaalsContact C-N 3.33Å; H696-Q698 PolarHBondContact ND1-N 2.83Å; H696-Q698 PolarHBondContact O-N 3.3Å; H696-I699 HydrophobicContact CB-CB 4.27Å; H696-I699 HydrophobicContact CB-CG1 3.98Å; H696-I699 PolarHBondContact O-N 2.98Å; H696-I700 WeakPolarHBondContact O-CG1 3.38Å; H696-I700 PolarHBondContact O-N 3.45Å
697	P	93.7	Very high	93.9	Very high	96 Å²	96	46.4 Å²	46.4	62%	0.623	24%	0.236	S	C	*	.	H	α-helix	trans	-56.9	-38.4	-173.2	-28.2	35.1	0	0	0	114.9	K695 I699 Q701	K695-P697 WeakPolarHBondContact O-CD 3.39Å; P697-I699 VanDerWaalsContact C-N 3.35Å; P697-Q701 VanDerWaalsContact O-CB 3.31Å; P697-Q701 WeakPolarHBondContact O-CB 3.32Å; P697-Q701 PolarHBondContact O-N 3.47Å
698	Q	94.4	Very high	94.4	Very high	105 Å²	105	43 Å²	43	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-69.1	-33.5	178.9	-65.2	-177.6	-11.9	0	0	112.6	L663 H696 A702	L663-Q698 HydrophobicContact CD1-CB 4.29Å; H696-Q698 VanDerWaalsContact C-N 3.33Å; H696-Q698 PolarHBondContact ND1-N 2.83Å; H696-Q698 PolarHBondContact O-N 3.3Å; Q698-A702 WeakPolarHBondContact O-CB 3.5Å; Q698-A702 PolarHBondContact O-N 3.23Å
699	I	95.8	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-49.4	177.1	-63.8	-69.4	0	0	0	108.9	L654 L657 A658 L661 L663 L693 H696 P697 Q701 A702 V703 L727	L654-I699 HydrophobicContact CD2-CG2 3.99Å; L657-I699 HydrophobicContact CD2-CD1 4.05Å; L657-I699 HydrophobicContact CD2-CG2 4.28Å; L657-I699 HydrophobicContact CG-CD1 3.98Å; A658-I699 HydrophobicContact CB-CD1 4.23Å; L661-I699 HydrophobicContact CD1-CD1 4.04Å; L663-I699 HydrophobicContact CD1-CD1 4.01Å; L663-I699 HydrophobicContact CD1-CG1 4.06Å; L693-I699 HydrophobicContact CD2-CG1 4.48Å; L693-I699 WeakPolarHBondContact O-CB 3.49Å; L693-I699 WeakPolarHBondContact O-CG2 3.34Å; H696-I699 HydrophobicContact CB-CB 4.27Å; H696-I699 HydrophobicContact CB-CG1 3.98Å; H696-I699 PolarHBondContact O-N 2.98Å; P697-I699 VanDerWaalsContact C-N 3.35Å; I699-Q701 VanDerWaalsContact C-N 3.28Å; I699-Q701 PolarHBondContact O-N 3.48Å; I699-A702 PolarHBondContact O-N 2.93Å; I699-A702 VanDerWaalsContact O-N 3.16Å; I699-V703 HydrophobicContact CG2-CG2 4.41Å; I699-V703 WeakPolarHBondContact O-CG2 3.22Å; I699-V703 PolarHBondContact O-N 3.17Å; I699-L727 HydrophobicContact CG2-CD1 3.99Å
700	I	96	Very high	94.8	Very high	46 Å²	46	47 Å²	47	24%	0.236	23%	0.231	C	C	.	.	H	α-helix	trans	-54.1	-47.4	176	-63.4	169.7	0	0	0	110.4	C694 H696 A702 V703 L704 V725 L727	C694-I700 WeakPolarHBondContact O-CD1 3.24Å; C694-I700 WeakPolarHBondContact O-CG1 3.49Å; H696-I700 WeakPolarHBondContact O-CG1 3.38Å; H696-I700 PolarHBondContact O-N 3.45Å; I700-A702 PolarHBondContact O-N 3.36Å; I700-V703 PolarHBondContact O-N 3.25Å; I700-L704 WeakPolarHBondContact O-CB 3.4Å; I700-L704 PolarHBondContact O-N 3.31Å; I700-V725 HydrophobicContact CG2-CG1 3.83Å; I700-L727 HydrophobicContact CG1-CD1 4.03Å; I700-L727 HydrophobicContact CG1-CG 4.26Å
701	Q	96.1	Very high	94.9	Very high	91 Å²	91	45.4 Å²	45.4	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-37.5	-179.7	-174.1	61.8	57.8	0	0	113.2	P697 I699 K705	P697-Q701 VanDerWaalsContact O-CB 3.31Å; P697-Q701 WeakPolarHBondContact O-CB 3.32Å; P697-Q701 PolarHBondContact O-N 3.47Å; I699-Q701 VanDerWaalsContact C-N 3.28Å; I699-Q701 PolarHBondContact O-N 3.48Å; Q701-K705 WeakPolarHBondContact O-CG 3.37Å; Q701-K705 PolarHBondContact O-N 2.96Å
702	A	95.7	Very high	94.9	Very high	25 Å²	25	51.5 Å²	51.5	21%	0.207	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-43.2	177.4	0	0	0	0	0	111.6	L657 L661 Q698 I699 I700 K705 D706	L657-A702 HydrophobicContact CD1-CB 4.08Å; L657-A702 HydrophobicContact CD2-CB 3.94Å; L661-A702 HydrophobicContact CD1-CB 4.41Å; Q698-A702 WeakPolarHBondContact O-CB 3.5Å; Q698-A702 PolarHBondContact O-N 3.23Å; I699-A702 PolarHBondContact O-N 2.93Å; I699-A702 VanDerWaalsContact O-N 3.16Å; I700-A702 PolarHBondContact O-N 3.36Å; A702-K705 PolarHBondContact O-N 3.32Å; A702-D706 PolarHBondContact O-N 2.87Å
703	V	97.1	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-43.6	174.5	176.4	0	0	0	0	110.7	Y628 L654 L657 I699 I700 K705 D706 L707 L727	Y628-V703 HydrophobicContact CD1-CG2 4.4Å; Y628-V703 HydrophobicContact CD2-CG2 4.27Å; Y628-V703 HydrophobicContact CG-CG2 4Å; L654-V703 HydrophobicContact CD2-CG2 3.84Å; L657-V703 HydrophobicContact CD2-CG2 4.12Å; I699-V703 HydrophobicContact CG2-CG2 4.41Å; I699-V703 WeakPolarHBondContact O-CG2 3.22Å; I699-V703 PolarHBondContact O-N 3.17Å; I700-V703 PolarHBondContact O-N 3.25Å; V703-K705 PolarHBondContact O-N 3.08Å; V703-D706 WeakPolarHBondContact O-CB 3.31Å; V703-D706 PolarHBondContact O-N 2.91Å; V703-L707 HydrophobicContact CG1-CD1 4.07Å; V703-L707 HydrophobicContact CG1-CG 4.38Å; V703-L707 WeakPolarHBondContact O-CG 3.23Å; V703-L707 PolarHBondContact O-N 3.26Å; V703-L727 HydrophobicContact CB-CD2 4.33Å; V703-L727 HydrophobicContact CG1-CD2 3.87Å; V703-L727 HydrophobicContact CG2-CD1 4.17Å
704	L	97.2	Very high	94.4	Very high	15 Å²	15	58.4 Å²	58.4	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-58	-46.4	175.1	-179.4	60.2	0	0	0	112.2	I700 D706 L707 Q708 Q723 V725	I700-L704 WeakPolarHBondContact O-CB 3.4Å; I700-L704 PolarHBondContact O-N 3.31Å; L704-D706 VanDerWaalsContact C-N 3.27Å; L704-D706 PolarHBondContact O-N 2.93Å; L704-L707 PolarHBondContact O-N 3.13Å; L704-Q708 HydrophobicContact CD1-CG 4.24Å; L704-Q708 HydrophobicContact CG-CG 4.5Å; L704-Q708 WeakPolarHBondContact O-CB 3.47Å; L704-Q708 VanDerWaalsContact O-CG 3.29Å; L704-Q708 WeakPolarHBondContact O-CG 3.31Å; L704-Q708 PolarHBondContact O-N 3.24Å; L704-Q723 VanDerWaalsContact CD2-O 3.3Å; L704-Q723 WeakPolarHBondContact CD2-O 3.05Å; L704-V725 HydrophobicContact CB-CG1 3.74Å; L704-V725 HydrophobicContact CD1-CB 4.3Å; L704-V725 HydrophobicContact CD1-CG1 4.18Å; L704-V725 HydrophobicContact CG-CG1 4.45Å
705	K	96.6	Very high	94	Very high	134 Å²	134	69 Å²	69	58%	0.583	31%	0.31	S	S	*	.	H	α-helix	trans	-61.1	-37.9	178	-78.3	178.6	179	-178.4	0	112	Q701 A702 V703 R709	Q701-K705 WeakPolarHBondContact O-CG 3.37Å; Q701-K705 PolarHBondContact O-N 2.96Å; A702-K705 PolarHBondContact O-N 3.32Å; V703-K705 PolarHBondContact O-N 3.08Å; K705-R709 WeakPolarHBondContact O-CB 3.07Å; K705-R709 PolarHBondContact O-N 3.34Å
706	D	96.1	Very high	93.6	Very high	11 Å²	11	62.3 Å²	62.3	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-48	175.7	-169.5	81.3	0	0	0	111.6	S626 Y628 A702 V703 L704 Q708 R709 V710	S626-D706 WeakPolarHBondContact CB-OD2 3.35Å; S626-D706 PolarHBondContact OG-OD2 2.98Å; Y628-D706 HydrophobicContact CD2-CB 3.73Å; Y628-D706 HydrophobicContact CE2-CB 3.57Å; Y628-D706 VanDerWaalsContact CE2-CG 3.45Å; A702-D706 PolarHBondContact O-N 2.87Å; V703-D706 WeakPolarHBondContact O-CB 3.31Å; V703-D706 PolarHBondContact O-N 2.91Å; L704-D706 VanDerWaalsContact C-N 3.27Å; L704-D706 PolarHBondContact O-N 2.93Å; D706-Q708 VanDerWaalsContact C-N 3.31Å; D706-Q708 PolarHBondContact O-N 3.02Å; D706-R709 WeakPolarHBondContact O-CB 3.39Å; D706-R709 PolarHBondContact O-N 3.33Å; D706-R709 VanDerWaalsContact O-N 3.08Å; D706-R709 IonicContact OD1-CZ 2.68Å; D706-R709 IonicContact OD1-NH1 2.6Å; D706-R709 PolarHBondContact OD1-NH1 3.44Å; D706-R709 IonicContact OD1-NH2 2.74Å; D706-R709 PolarHBondContact OD1-NH2 3.46Å; D706-R709 IonicContact OD2-NH2 3.89Å; D706-V710 WeakPolarHBondContact O-CG2 3.38Å; D706-V710 PolarHBondContact O-N 2.74Å
707	L	96.7	Very high	93.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.2	-45.3	175	-70.3	169.5	0	0	0	111.6	L623 V629 I632 V647 V703 L704 R709 V710 A711 V725	L623-L707 HydrophobicContact CB-CD2 4.11Å; L623-L707 HydrophobicContact CD2-CB 4.2Å; L623-L707 HydrophobicContact CD2-CD2 4.17Å; L623-L707 VanDerWaalsContact CD2-O 3.23Å; L623-L707 WeakPolarHBondContact CD2-O 3.33Å; V629-L707 HydrophobicContact CG2-CD2 3.67Å; I632-L707 HydrophobicContact CD1-CD2 4.14Å; V647-L707 HydrophobicContact CG2-CD1 4.17Å; V703-L707 HydrophobicContact CG1-CD1 4.07Å; V703-L707 HydrophobicContact CG1-CG 4.38Å; V703-L707 WeakPolarHBondContact O-CG 3.23Å; V703-L707 PolarHBondContact O-N 3.26Å; L704-L707 PolarHBondContact O-N 3.13Å; L707-R709 VanDerWaalsContact C-N 3.34Å; L707-R709 PolarHBondContact O-N 3.05Å; L707-V710 PolarHBondContact O-N 2.75Å; L707-A711 WeakPolarHBondContact O-CB 3.48Å; L707-A711 PolarHBondContact O-N 2.79Å; L707-V725 HydrophobicContact CD1-CB 4.31Å; L707-V725 HydrophobicContact CD1-CG2 3.94Å
708	Q	96.5	Very high	92.8	Very high	26 Å²	26	63.8 Å²	63.8	12%	0.121	29%	0.294	C	S	.	.	H	α-helix	trans	-67.1	-33	177.3	-69	-179.8	-15.9	0	0	112.8	L704 D706 R712 I721 P722	L704-Q708 HydrophobicContact CD1-CG 4.24Å; L704-Q708 HydrophobicContact CG-CG 4.5Å; L704-Q708 WeakPolarHBondContact O-CB 3.47Å; L704-Q708 VanDerWaalsContact O-CG 3.29Å; L704-Q708 WeakPolarHBondContact O-CG 3.31Å; L704-Q708 PolarHBondContact O-N 3.24Å; D706-Q708 VanDerWaalsContact C-N 3.31Å; D706-Q708 PolarHBondContact O-N 3.02Å; Q708-R712 WeakPolarHBondContact O-CG 3.31Å; Q708-R712 PolarHBondContact O-N 2.68Å; Q708-I721 HydrophobicContact CB-CG2 4.18Å; Q708-I721 HydrophobicContact CG-CG2 3.72Å; Q708-P722 PolarHBondContact NE2-O 2.94Å; Q708-P722 VanDerWaalsContact NE2-O 3.1Å
709	R	95.8	Very high	92.3	Very high	118 Å²	118	61.6 Å²	61.6	45%	0.445	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-52	172.4	-171.5	-167.7	71.6	-122.4	-10.7	110.2	K705 D706 L707 A711 R712 E713	K705-R709 WeakPolarHBondContact O-CB 3.07Å; K705-R709 PolarHBondContact O-N 3.34Å; D706-R709 WeakPolarHBondContact O-CB 3.39Å; D706-R709 PolarHBondContact O-N 3.33Å; D706-R709 VanDerWaalsContact O-N 3.08Å; D706-R709 IonicContact OD1-CZ 2.68Å; D706-R709 IonicContact OD1-NH1 2.6Å; D706-R709 PolarHBondContact OD1-NH1 3.44Å; D706-R709 IonicContact OD1-NH2 2.74Å; D706-R709 PolarHBondContact OD1-NH2 3.46Å; D706-R709 IonicContact OD2-NH2 3.89Å; L707-R709 VanDerWaalsContact C-N 3.34Å; L707-R709 PolarHBondContact O-N 3.05Å; R709-A711 VanDerWaalsContact C-N 3.3Å; R709-A711 PolarHBondContact O-N 3.44Å; R709-R712 PolarHBondContact O-N 2.89Å; R709-R712 VanDerWaalsContact O-N 3.14Å; R709-E713 WeakPolarHBondContact CD-OE1 3.36Å; R709-E713 WeakPolarHBondContact CG-OE1 3.49Å; R709-E713 IonicContact NE-OE1 2.81Å; R709-E713 PolarHBondContact NE-OE1 2.93Å; R709-E713 WeakPolarHBondContact O-CG 3.47Å; R709-E713 PolarHBondContact O-N 3.42Å
710	V	92.8	Very high	92	Very high	6 Å²	6	62 Å²	62	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-42.5	178.3	173.8	0	0	0	0	110.9	A622 Q625 D706 L707 R712 E713 K714	A622-V710 VanDerWaalsContact O-CG1 3.29Å; A622-V710 WeakPolarHBondContact O-CG1 3.44Å; Q625-V710 HydrophobicContact CB-CG1 4.37Å; D706-V710 WeakPolarHBondContact O-CG2 3.38Å; D706-V710 PolarHBondContact O-N 2.74Å; L707-V710 PolarHBondContact O-N 2.75Å; V710-R712 VanDerWaalsContact C-N 3.33Å; V710-R712 PolarHBondContact O-N 2.96Å; V710-E713 PolarHBondContact O-N 3.18Å; V710-K714 HydrophobicContact CG1-CG 4.33Å; V710-K714 WeakPolarHBondContact O-CB 3.42Å; V710-K714 WeakPolarHBondContact O-CG 3.47Å; V710-K714 PolarHBondContact O-N 3.33Å
711	A	91.6	Very high	91.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-44.2	176.2	0	0	0	0	0	112.9	L623 L707 R709 K714 R715 L716 I721	L623-A711 HydrophobicContact CD2-CB 3.94Å; L707-A711 WeakPolarHBondContact O-CB 3.48Å; L707-A711 PolarHBondContact O-N 2.79Å; R709-A711 VanDerWaalsContact C-N 3.3Å; R709-A711 PolarHBondContact O-N 3.44Å; A711-K714 CarbonylContact O-C 3.55Å; A711-K714 PolarHBondContact O-N 3.48Å; A711-R715 PolarHBondContact O-N 3.28Å; A711-L716 HydrophobicContact CB-CB 4.38Å; A711-L716 HydrophobicContact CB-CD1 3.88Å; A711-L716 HydrophobicContact CB-CG 4.44Å; A711-L716 WeakPolarHBondContact O-CB 3.39Å; A711-L716 PolarHBondContact O-N 3.47Å; A711-I721 HydrophobicContact CB-CB 4.48Å; A711-I721 HydrophobicContact CB-CD1 4.27Å; A711-I721 HydrophobicContact CB-CG1 3.95Å; A711-I721 HydrophobicContact CB-CG2 4.1Å
712	R	92.1	Very high	91.8	Very high	155 Å²	155	56.1 Å²	56.1	59%	0.585	26%	0.257	S	S	*	.	H	α-helix	trans	-69.8	-41.2	177.8	-68.2	176.1	-163	126.5	4.7	112	Q708 R709 V710 K714 R715 I721	Q708-R712 WeakPolarHBondContact O-CG 3.31Å; Q708-R712 PolarHBondContact O-N 2.68Å; R709-R712 PolarHBondContact O-N 2.89Å; R709-R712 VanDerWaalsContact O-N 3.14Å; V710-R712 VanDerWaalsContact C-N 3.33Å; V710-R712 PolarHBondContact O-N 2.96Å; R712-K714 PolarHBondContact O-N 3.12Å; R712-R715 PolarHBondContact O-N 3.46Å; R712-I721 HydrophobicContact CG-CD1 3.89Å
713	E	89.8	Confident	91.7	Very high	119 Å²	119	59.1 Å²	59.1	56%	0.556	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-38.4	174.5	-72.6	168.7	-174.5	0	0	111.2	R709 V710 R715	R709-E713 WeakPolarHBondContact CD-OE1 3.36Å; R709-E713 WeakPolarHBondContact CG-OE1 3.49Å; R709-E713 IonicContact NE-OE1 2.81Å; R709-E713 PolarHBondContact NE-OE1 2.93Å; R709-E713 WeakPolarHBondContact O-CG 3.47Å; R709-E713 PolarHBondContact O-N 3.42Å; V710-E713 PolarHBondContact O-N 3.18Å; E713-R715 PolarHBondContact O-N 3.03Å
714	K	85.9	Confident	91.6	Very high	78 Å²	78	60.9 Å²	60.9	34%	0.339	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9.1	174.9	-62.3	-57.2	-178.1	179.7	0	114.7	A622 V710 A711 R712 L716	A622-K714 HydrophobicContact CB-CB 3.9Å; A622-K714 HydrophobicContact CB-CG 4.08Å; V710-K714 HydrophobicContact CG1-CG 4.33Å; V710-K714 WeakPolarHBondContact O-CB 3.42Å; V710-K714 WeakPolarHBondContact O-CG 3.47Å; V710-K714 PolarHBondContact O-N 3.33Å; A711-K714 CarbonylContact O-C 3.55Å; A711-K714 PolarHBondContact O-N 3.48Å; R712-K714 PolarHBondContact O-N 3.12Å; K714-L716 PolarHBondContact O-N 3.28Å
715	R	85.6	Confident	91.5	Very high	225 Å²	225	60.4 Å²	60.4	85%	0.849	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	34.1	175.4	-52.6	179.6	-177.4	178.8	1	113.6	A711 R712 E713	A711-R715 PolarHBondContact O-N 3.28Å; R712-R715 PolarHBondContact O-N 3.46Å; E713-R715 PolarHBondContact O-N 3.03Å
716	L	86	Confident	91.5	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.079	25%	0.249	C	C	.	.			trans	-64.8	143	168.7	-65.1	-173.5	0	0	0	110	K618 V619 A622 A711 K714 E720 I721	K618-L716 HydrophobicContact CD-CD2 4.41Å; K618-L716 HydrophobicContact CG-CD2 4.26Å; V619-L716 HydrophobicContact CB-CD1 4.38Å; V619-L716 HydrophobicContact CG1-CD1 4.04Å; V619-L716 HydrophobicContact CG2-CD1 4.2Å; A622-L716 HydrophobicContact CB-CD1 3.99Å; A622-L716 HydrophobicContact CB-CD2 4.22Å; A622-L716 HydrophobicContact CB-CG 4.24Å; A711-L716 HydrophobicContact CB-CB 4.38Å; A711-L716 HydrophobicContact CB-CD1 3.88Å; A711-L716 HydrophobicContact CB-CG 4.44Å; A711-L716 WeakPolarHBondContact O-CB 3.39Å; A711-L716 PolarHBondContact O-N 3.47Å; K714-L716 PolarHBondContact O-N 3.28Å; L716-E720 WeakPolarHBondContact CA-OE2 3.45Å; L716-E720 HydrophobicContact CB-CB 4.15Å; L716-I721 HydrophobicContact CB-CG1 4.38Å
717	S	82.8	Confident	91.6	Very high	53 Å²	53	54.6 Å²	54.6	37%	0.371	25%	0.249	S	C	.	.			trans	-68	154.3	174.5	-68.6	0	0	0	0	111	F719 E720 I721	S717-F719 PolarHBondContact O-N 3.15Å; S717-F719 VanDerWaalsContact O-N 3.12Å; S717-E720 PolarHBondContact N-OE2 3.43Å; S717-E720 WeakPolarHBondContact O-CA 3.3Å; S717-E720 WeakPolarHBondContact O-CB 3.26Å; S717-E720 PolarHBondContact O-N 3.22Å; S717-I721 PolarHBondContact O-N 3.27Å
718	T	87.2	Confident	91.5	Very high	117 Å²	117	54.9 Å²	54.9	72%	0.718	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-54.5	-37.7	-174.9	-50.2	0	0	0	0	113.3	E720 I721	T718-E720 VanDerWaalsContact C-N 3.28Å; T718-E720 PolarHBondContact O-N 3.28Å; T718-I721 PolarHBondContact O-N 3.11Å
719	F	84.2	Confident	91.2	Very high	60 Å²	60	55 Å²	55	26%	0.263	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-75.1	-14	178.1	66.5	-96.4	0	0	0	113.5	L608 E612 V614 P643 S717	L608-F719 HydrophobicContact CD1-CB 3.89Å; L608-F719 HydrophobicContact CD1-CD2 4.02Å; L608-F719 HydrophobicContact CD1-CG 4.4Å; E612-F719 HydrophobicContact CB-CD1 4.28Å; E612-F719 HydrophobicContact CB-CD2 3.71Å; E612-F719 HydrophobicContact CB-CE1 4.31Å; E612-F719 HydrophobicContact CB-CE2 3.76Å; E612-F719 HydrophobicContact CB-CG 4Å; E612-F719 HydrophobicContact CB-CZ 4.08Å; E612-F719 HydrophobicContact CG-CD1 3.99Å; E612-F719 HydrophobicContact CG-CD2 4.31Å; E612-F719 HydrophobicContact CG-CE1 4.14Å; E612-F719 HydrophobicContact CG-CE2 4.46Å; E612-F719 HydrophobicContact CG-CG 4.1Å; E612-F719 HydrophobicContact CG-CZ 4.38Å; V614-F719 HydrophobicContact CG2-CD2 3.77Å; V614-F719 HydrophobicContact CG2-CE2 4.15Å; P643-F719 WeakPolarHBondContact CD-O 3.27Å; S717-F719 PolarHBondContact O-N 3.15Å; S717-F719 VanDerWaalsContact O-N 3.12Å
720	E	89.2	Confident	90.8	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.033	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-88.5	-16.6	175.3	-63	-179.2	127.9	0	0	112.3	K618 V619 P643 L716 S717 T718 P722	K618-E720 IonicContact NZ-OE1 3.93Å; K618-E720 PolarHBondContact NZ-OE1 2.86Å; K618-E720 IonicContact NZ-OE2 2.9Å; K618-E720 PolarHBondContact NZ-OE2 3.47Å; V619-E720 HydrophobicContact CG2-CB 3.83Å; V619-E720 HydrophobicContact CG2-CG 4.39Å; P643-E720 WeakPolarHBondContact CG-O 3.36Å; L716-E720 WeakPolarHBondContact CA-OE2 3.45Å; L716-E720 HydrophobicContact CB-CB 4.15Å; S717-E720 PolarHBondContact N-OE2 3.43Å; S717-E720 WeakPolarHBondContact O-CA 3.3Å; S717-E720 WeakPolarHBondContact O-CB 3.26Å; S717-E720 PolarHBondContact O-N 3.22Å; T718-E720 VanDerWaalsContact C-N 3.28Å; T718-E720 PolarHBondContact O-N 3.28Å; E720-P722 WeakPolarHBondContact O-CD 3.35Å
721	I	94.1	Very high	90.5	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.062	26%	0.255	C	S	.	.	S	Bend	trans	-77.2	122.3	-176.7	-56.6	-174.7	0	0	0	109.7	Q708 A711 R712 L716 S717 T718 Q723	Q708-I721 HydrophobicContact CB-CG2 4.18Å; Q708-I721 HydrophobicContact CG-CG2 3.72Å; A711-I721 HydrophobicContact CB-CB 4.48Å; A711-I721 HydrophobicContact CB-CD1 4.27Å; A711-I721 HydrophobicContact CB-CG1 3.95Å; A711-I721 HydrophobicContact CB-CG2 4.1Å; R712-I721 HydrophobicContact CG-CD1 3.89Å; L716-I721 HydrophobicContact CB-CG1 4.38Å; S717-I721 PolarHBondContact O-N 3.27Å; T718-I721 PolarHBondContact O-N 3.11Å; I721-Q723 PolarHBondContact O-N 3.43Å
722	P	94.7	Very high	90.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.013	26%	0.255	C	S	.	.			trans	-60.9	129.3	175.5	-24.9	35.6	0	0	0	112.2	V619 L623 P643 C645 Q708 E720	V619-P722 HydrophobicContact CG1-CG 4.33Å; L623-P722 HydrophobicContact CD1-CG 3.58Å; P643-P722 HydrophobicContact CG-CG 4.48Å; P643-P722 VanDerWaalsContact O-CA 3.23Å; P643-P722 WeakPolarHBondContact O-CA 3.3Å; C645-P722 HydrophobicContact CB-CB 4.33Å; C645-P722 HydrophobicContact CB-CG 4.28Å; Q708-P722 PolarHBondContact NE2-O 2.94Å; Q708-P722 VanDerWaalsContact NE2-O 3.1Å; E720-P722 WeakPolarHBondContact O-CD 3.35Å
723	Q	93.8	Very high	90	Very high	88 Å²	88	48 Å²	48	41%	0.411	24%	0.242	S	C	.	.	S	Bend	trans	-85.1	-24.2	177.1	-66.2	-65.6	-19.3	0	0	111.9	Y642 P643 L704 I721	Y642-Q723 HydrophobicContact CD1-CG 4.25Å; Y642-Q723 HydrophobicContact CD2-CB 3.55Å; Y642-Q723 HydrophobicContact CD2-CG 3.78Å; Y642-Q723 HydrophobicContact CE2-CB 3.99Å; Y642-Q723 HydrophobicContact CG-CB 3.89Å; Y642-Q723 HydrophobicContact CG-CG 3.59Å; P643-Q723 PolarHBondContact O-N 3.34Å; P643-Q723 VanDerWaalsContact O-N 3.07Å; L704-Q723 VanDerWaalsContact CD2-O 3.3Å; L704-Q723 WeakPolarHBondContact CD2-O 3.05Å; I721-Q723 PolarHBondContact O-N 3.43Å
724	K	94.8	Very high	89.2	Confident	37 Å²	37	44.3 Å²	44.3	16%	0.161	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.3	-176.6	-56.6	173.9	177.1	159.4	0	110.7	Y642 I644 C645 L761 D765	Y642-K724 HydrophobicContact CE2-CD 4.31Å; Y642-K724 PolarHBondContact OH-NZ 3.07Å; I644-K724 WeakPolarHBondContact CA-O 3.32Å; I644-K724 HydrophobicContact CG2-CB 3.96Å; C645-K724 PolarHBondContact N-O 2.92Å; C645-K724 VanDerWaalsContact N-O 3.12Å; K724-L761 HydrophobicContact CB-CB 4.49Å; K724-L761 HydrophobicContact CB-CD1 4.39Å; K724-L761 HydrophobicContact CB-CD2 3.85Å; K724-L761 HydrophobicContact CB-CG 4.46Å; K724-L761 HydrophobicContact CD-CB 4.25Å; K724-L761 HydrophobicContact CD-CD2 4.21Å; K724-L761 WeakPolarHBondContact CD-O 3.4Å; K724-L761 WeakPolarHBondContact CE-O 3.45Å; K724-L761 HydrophobicContact CG-CD2 4.49Å; K724-L761 PolarHBondContact NZ-O 3.39Å; K724-D765 IonicContact NZ-OD1 4Å; K724-D765 PolarHBondContact NZ-OD1 3.36Å; K724-D765 IonicContact NZ-OD2 2.65Å; K724-D765 PolarHBondContact NZ-OD2 2.95Å
725	V	96.3	Very high	88.7	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.5	-178.8	65.1	0	0	0	0	110.6	C645 V647 I700 L704 L707 L727	C645-V725 CarbonylContact O-C 3.51Å; C645-V725 VanDerWaalsContact O-CA 3.25Å; C645-V725 WeakPolarHBondContact O-CA 3.41Å; V647-V725 HydrophobicContact CB-CG2 4.33Å; V647-V725 HydrophobicContact CG2-CG2 3.78Å; I700-V725 HydrophobicContact CG2-CG1 3.83Å; L704-V725 HydrophobicContact CB-CG1 3.74Å; L704-V725 HydrophobicContact CD1-CB 4.3Å; L704-V725 HydrophobicContact CD1-CG1 4.18Å; L704-V725 HydrophobicContact CG-CG1 4.45Å; L707-V725 HydrophobicContact CD1-CB 4.31Å; L707-V725 HydrophobicContact CD1-CG2 3.94Å; V725-L727 HydrophobicContact CG2-CD2 3.94Å
726	A	96.3	Very high	88.5	Confident	11 Å²	11	39.8 Å²	39.8	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.1	163.1	0	0	0	0	0	109.5	C645 F646 V647 F754 E757 L761	C645-A726 PolarHBondContact O-N 2.89Å; F646-A726 CarbonylContact C-O 3.58Å; F646-A726 WeakPolarHBondContact CA-O 3.26Å; F646-A726 HydrophobicContact CD1-CB 4.1Å; V647-A726 PolarHBondContact N-O 3.06Å; A726-F754 HydrophobicContact CB-CD1 4.17Å; A726-F754 HydrophobicContact CB-CE1 4.17Å; A726-E757 HydrophobicContact CB-CB 4.14Å; A726-E757 HydrophobicContact CB-CG 4.25Å; A726-L761 HydrophobicContact CB-CD1 4.16Å
727	L	96.5	Very high	88	Confident	13 Å²	13	40 Å²	40	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.8	176.1	-54.9	-178.1	0	0	0	109	V647 C694 I699 I700 V703 V725	V647-L727 HydrophobicContact CB-CD2 3.88Å; V647-L727 HydrophobicContact CG1-CD2 4.24Å; V647-L727 WeakPolarHBondContact O-CA 3.42Å; C694-L727 HydrophobicContact CB-CB 3.68Å; I699-L727 HydrophobicContact CG2-CD1 3.99Å; I700-L727 HydrophobicContact CG1-CD1 4.03Å; I700-L727 HydrophobicContact CG1-CG 4.26Å; V703-L727 HydrophobicContact CB-CD2 4.33Å; V703-L727 HydrophobicContact CG1-CD2 3.87Å; V703-L727 HydrophobicContact CG2-CD1 4.17Å; V725-L727 HydrophobicContact CG2-CD2 3.94Å
728	D	94.7	Very high	88	Confident	5 Å²	5	38 Å²	38	3%	0.027	22%	0.218	C	C	.	.			trans	-78.1	141.9	178.4	-149.4	-26.6	0	0	0	111.5	V647 P649 C694 I730 W732 R753 F754	V647-D728 PolarHBondContact O-N 2.75Å; P649-D728 WeakPolarHBondContact CD-O 3.46Å; C694-D728 PolarHBondContact SG-O 3.08Å; D728-I730 VanDerWaalsContact C-N 3.29Å; D728-I730 PolarHBondContact OD1-N 3.09Å; D728-W732 PolarHBondContact OD2-NE1 3.25Å; D728-R753 IonicContact OD1-CZ 2.78Å; D728-R753 IonicContact OD1-NE 2.69Å; D728-R753 PolarHBondContact OD1-NE 3.06Å; D728-R753 IonicContact OD1-NH2 2.77Å; D728-R753 PolarHBondContact OD1-NH2 3.07Å; D728-R753 IonicContact OD2-CZ 3.09Å; D728-R753 IonicContact OD2-NE 3.28Å; D728-R753 PolarHBondContact OD2-NE 2.88Å; D728-R753 IonicContact OD2-NH2 3.9Å; D728-F754 HydrophobicContact CB-CE1 4.36Å; D728-F754 HydrophobicContact CB-CZ 3.66Å; D728-F754 VanDerWaalsContact CG-CZ 3.46Å; D728-F754 VanDerWaalsContact OD2-CZ 3.26Å; D728-F754 WeakPolarHBondContact OD2-CZ 3.24Å
729	T	91.3	Very high	87.5	Confident	29 Å²	29	32.4 Å²	32.4	18%	0.178	18%	0.184	C	C	.	.	S	Bend	trans	-81.6	-9.9	173.6	66.2	0	0	0	0	112.7	R690 A691 C694	R690-T729 VanDerWaalsContact CD-C 3.49Å; R690-T729 WeakPolarHBondContact CD-O 3.42Å; A691-T729 HydrophobicContact CB-CG2 4.35Å; C694-T729 HydrophobicContact CB-CG2 4.2Å
730	I	87.8	Confident	86.8	Confident	40 Å²	40	30.2 Å²	30.2	21%	0.205	18%	0.176	C	C	.	.	S	Bend	trans	-119.5	149.1	177.1	71.9	177.3	0	0	0	111.6	D728 T736 L738	D728-I730 VanDerWaalsContact C-N 3.29Å; D728-I730 PolarHBondContact OD1-N 3.09Å; I730-T736 HydrophobicContact CD1-CG2 4.34Å; I730-L738 HydrophobicContact CD1-CD1 3.8Å; I730-L738 HydrophobicContact CG1-CD1 4.15Å
731	A	86.9	Confident	85.6	Confident	38 Å²	38	32.6 Å²	32.6	31%	0.314	19%	0.189	S	C	.	.			trans	-77.1	142.2	171.3	0	0	0	0	0	110.5	T733 T736	A731-T733 PolarHBondContact O-N 3.15Å; A731-T736 WeakPolarHBondContact O-CG2 3.45Å
732	W	88.6	Confident	84	Confident	2 Å²	2	34 Å²	34	1%	0.008	20%	0.202	C	C	.	.			trans	-89.6	94.5	-177.8	-51.1	-17.1	0	0	0	111.4	Q631 C633 F646 D728 L738 V739 L745 L750 F754	Q631-W732 HydrophobicContact CB-CD2 4.32Å; Q631-W732 HydrophobicContact CB-CE3 3.5Å; Q631-W732 HydrophobicContact CB-CZ3 3.86Å; Q631-W732 HydrophobicContact CG-CE3 4.49Å; Q631-W732 PolarHBondContact NE2-O 3.04Å; Q631-W732 PolarHBondContact OE1-O 3.48Å; C633-W732 HydrophobicContact CB-CH2 3.66Å; C633-W732 HydrophobicContact CB-CZ3 3.91Å; F646-W732 HydrophobicContact CB-CH2 4.12Å; F646-W732 HydrophobicContact CB-CZ2 4.06Å; F646-W732 WeakPolarHBondContact O-CH2 3.27Å; D728-W732 PolarHBondContact OD2-NE1 3.25Å; W732-L738 HydrophobicContact CB-CB 4.01Å; W732-L738 HydrophobicContact CB-CD1 4.44Å; W732-L738 HydrophobicContact CG-CB 4.13Å; W732-L738 HydrophobicContact CG-CD1 3.95Å; W732-V739 HydrophobicContact CB-CG1 4.08Å; W732-V739 WeakPolarHBondContact O-CG2 3.48Å; W732-L745 HydrophobicContact CE3-CD2 3.66Å; W732-L745 HydrophobicContact CZ3-CD2 3.57Å; W732-L750 HydrophobicContact CD2-CD2 3.8Å; W732-L750 VanDerWaalsContact CE2-CD2 3.48Å; W732-L750 HydrophobicContact CE3-CD1 4.27Å; W732-L750 HydrophobicContact CE3-CD2 4.14Å; W732-L750 HydrophobicContact CG-CD2 4.4Å; W732-L750 HydrophobicContact CH2-CD1 4.32Å; W732-L750 HydrophobicContact CH2-CD2 3.94Å; W732-L750 HydrophobicContact CZ2-CD2 3.57Å; W732-L750 HydrophobicContact CZ3-CD1 4.07Å; W732-L750 HydrophobicContact CZ3-CD2 4.21Å; W732-F754 AromaticContact CZ2-CE2 3.96Å; W732-F754 HydrophobicContact CZ2-CE2 3.96Å; W732-F754 HydrophobicContact CZ2-CZ 4.27Å
733	T	82.9	Confident	82.9	Confident	51 Å²	51	36 Å²	36	31%	0.313	21%	0.213	S	C	.	.			trans	-109.6	162.4	177.1	69.3	0	0	0	0	111.2	A731 D735 T736 G737	A731-T733 PolarHBondContact O-N 3.15Å; T733-D735 PolarHBondContact O-N 3.22Å; T733-T736 PolarHBondContact N-OG1 2.91Å; T733-T736 VanDerWaalsContact N-OG1 3.08Å; T733-T736 PolarHBondContact O-N 3.17Å; T733-T736 PolarHBondContact O-OG1 3Å; T733-T736 PolarHBondContact OG1-N 3.23Å; T733-G737 PolarHBondContact O-N 3.01Å
734	P	73.4	Confident	81.9	Confident	42 Å²	42	36.9 Å²	36.9	27%	0.273	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-54.1	-37.4	173.6	-25.9	35.1	0	0	0	112.6	T736 G737 V739 D741 L743	P734-T736 VanDerWaalsContact C-N 3.32Å; P734-T736 PolarHBondContact O-N 2.99Å; P734-G737 PolarHBondContact O-N 3.35Å; P734-V739 HydrophobicContact CG-CG2 4.29Å; P734-D741 WeakPolarHBondContact CB-OD1 3.45Å; P734-L743 HydrophobicContact CG-CD2 3.97Å
735	D	75.1	Confident	81.2	Confident	150 Å²	150	37 Å²	37	80%	0.802	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-62.6	-33.4	177	-60.7	-26.9	0	0	0	113.3	T733 G737	T733-D735 PolarHBondContact O-N 3.22Å; D735-G737 PolarHBondContact O-N 3.39Å
736	T	81.1	Confident	80.2	Confident	58 Å²	58	39.5 Å²	39.5	36%	0.356	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-74.3	-11	174.3	63.1	0	0	0	0	113.2	I730 A731 T733 P734 L738	I730-T736 HydrophobicContact CD1-CG2 4.34Å; A731-T736 WeakPolarHBondContact O-CG2 3.45Å; T733-T736 PolarHBondContact N-OG1 2.91Å; T733-T736 VanDerWaalsContact N-OG1 3.08Å; T733-T736 PolarHBondContact O-N 3.17Å; T733-T736 PolarHBondContact O-OG1 3Å; T733-T736 PolarHBondContact OG1-N 3.23Å; P734-T736 VanDerWaalsContact C-N 3.32Å; P734-T736 PolarHBondContact O-N 2.99Å; T736-L738 PolarHBondContact O-N 2.94Å
737	G	77.4	Confident	79.6	Confident	20 Å²	20	41.5 Å²	41.5	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.7	-177	0	0	0	0	0	114.6	T733 P734 D735 K746 N749	T733-G737 PolarHBondContact O-N 3.01Å; P734-G737 PolarHBondContact O-N 3.35Å; D735-G737 PolarHBondContact O-N 3.39Å; G737-K746 WeakPolarHBondContact O-CD 3.48Å; G737-N749 PolarHBondContact O-ND2 3.5Å
738	L	82.6	Confident	78.5	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	26%	0.256	C	S	.	.	S	Bend	trans	-87.7	-17	178.3	-64.3	-178.7	0	0	0	113.5	I730 W732 T736 K746 N749 L750 R753	I730-L738 HydrophobicContact CD1-CD1 3.8Å; I730-L738 HydrophobicContact CG1-CD1 4.15Å; W732-L738 HydrophobicContact CB-CB 4.01Å; W732-L738 HydrophobicContact CB-CD1 4.44Å; W732-L738 HydrophobicContact CG-CB 4.13Å; W732-L738 HydrophobicContact CG-CD1 3.95Å; T736-L738 PolarHBondContact O-N 2.94Å; L738-K746 WeakPolarHBondContact O-CB 3.39Å; L738-K746 PolarHBondContact O-N 2.85Å; L738-N749 HydrophobicContact CD2-CB 4.23Å; L738-L750 HydrophobicContact CB-CD2 4.09Å; L738-L750 HydrophobicContact CB-CG 4.44Å; L738-L750 HydrophobicContact CD1-CD2 4.12Å; L738-L750 HydrophobicContact CD2-CD2 4.01Å; L738-L750 HydrophobicContact CD2-CG 4.31Å; L738-L750 HydrophobicContact CG-CD2 4.31Å; L738-R753 HydrophobicContact CD2-CB 4.47Å
739	V	76.1	Confident	78	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-130.1	164.4	171.7	-66.1	0	0	0	0	111.2	W732 P734 L743 K744 L745 K746	W732-V739 HydrophobicContact CB-CG1 4.08Å; W732-V739 WeakPolarHBondContact O-CG2 3.48Å; P734-V739 HydrophobicContact CG-CG2 4.29Å; V739-L743 HydrophobicContact CG2-CD2 3.85Å; V739-K744 CarbonylContact C-O 3.51Å; V739-K744 WeakPolarHBondContact CA-O 3.15Å; V739-K744 WeakPolarHBondContact CB-O 3.27Å; V739-L745 HydrophobicContact CG1-CD2 4.16Å; V739-K746 WeakPolarHBondContact O-CE 3.08Å
740	T	69.8	Low	77.8	Confident	15 Å²	15	48.3 Å²	48.3	9%	0.092	26%	0.262	C	S	.	.			trans	-76.9	172.7	167.2	71.3	0	0	0	0	110.5	A742 L743 K744 K746	T740-A742 PolarHBondContact O-N 2.79Å; T740-A742 PolarHBondContact OG1-N 2.61Å; T740-L743 VanDerWaalsContact O-CA 3.27Å; T740-L743 WeakPolarHBondContact O-CA 3.3Å; T740-L743 PolarHBondContact O-N 2.98Å; T740-K744 HydrophobicContact CG2-CB 4.1Å; T740-K744 PolarHBondContact N-O 2.91Å; T740-K744 WeakPolarHBondContact OG1-CB 3.39Å; T740-K744 PolarHBondContact OG1-N 3.27Å; T740-K744 VanDerWaalsContact OG1-N 3.1Å; T740-K746 HydrophobicContact CG2-CG 4.19Å
741	D	62.7	Low	77.7	Confident	56 Å²	56	49.5 Å²	49.5	30%	0.299	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27	175.8	-58	-42.1	0	0	0	112.9	T161 P734 L743	T161-D741 VanDerWaalsContact CB-CG 3.48Å; T161-D741 VanDerWaalsContact CB-OD1 3.3Å; T161-D741 WeakPolarHBondContact CB-OD1 3.29Å; T161-D741 WeakPolarHBondContact CB-OD2 3.38Å; T161-D741 PolarHBondContact OG1-OD1 3.33Å; T161-D741 PolarHBondContact OG1-OD2 3.23Å; P734-D741 WeakPolarHBondContact CB-OD1 3.45Å; D741-L743 PolarHBondContact O-N 3.04Å
742	A	62.1	Low	77.5	Confident	42 Å²	42	51.7 Å²	51.7	35%	0.347	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	9.5	169.5	0	0	0	0	0	113.1	T740 K744	T740-A742 PolarHBondContact O-N 2.79Å; T740-A742 PolarHBondContact OG1-N 2.61Å; A742-K744 HydrophobicContact CB-CG 4.5Å; A742-K744 PolarHBondContact O-N 3.4Å
743	L	70	Confident	77.5	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.236	30%	0.295	C	S	.	.			trans	63.4	19.9	-177.5	-58.3	172.2	0	0	0	115	T408 P734 V739 T740 D741	T408-L743 HydrophobicContact CG2-CB 4.39Å; T408-L743 HydrophobicContact CG2-CD1 3.81Å; P734-L743 HydrophobicContact CG-CD2 3.97Å; V739-L743 HydrophobicContact CG2-CD2 3.85Å; T740-L743 VanDerWaalsContact O-CA 3.27Å; T740-L743 WeakPolarHBondContact O-CA 3.3Å; T740-L743 PolarHBondContact O-N 2.98Å; D741-L743 PolarHBondContact O-N 3.04Å
744	K	73.2	Confident	78	Confident	106 Å²	106	54.2 Å²	54.2	46%	0.461	28%	0.281	S	S	.	.			trans	-73.5	139.9	172.9	-61.7	-176.1	176.8	177.6	0	110.5	G475 V739 T740 A742 K746	G475-K744 WeakPolarHBondContact O-CE 3.39Å; G475-K744 PolarHBondContact O-NZ 2.77Å; V739-K744 CarbonylContact C-O 3.51Å; V739-K744 WeakPolarHBondContact CA-O 3.15Å; V739-K744 WeakPolarHBondContact CB-O 3.27Å; T740-K744 HydrophobicContact CG2-CB 4.1Å; T740-K744 PolarHBondContact N-O 2.91Å; T740-K744 WeakPolarHBondContact OG1-CB 3.39Å; T740-K744 PolarHBondContact OG1-N 3.27Å; T740-K744 VanDerWaalsContact OG1-N 3.1Å; A742-K744 HydrophobicContact CB-CG 4.5Å; A742-K744 PolarHBondContact O-N 3.4Å; K744-K746 PolarHBondContact O-N 3.16Å
745	L	80.1	Confident	78.8	Confident	39 Å²	39	55.9 Å²	55.9	20%	0.204	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-61.9	128.5	179.5	-56.8	173.2	0	0	0	112	I632 C633 W732 V739 R747 L750	I632-L745 WeakPolarHBondContact O-CD1 3.48Å; C633-L745 HydrophobicContact CB-CD1 4.08Å; W732-L745 HydrophobicContact CE3-CD2 3.66Å; W732-L745 HydrophobicContact CZ3-CD2 3.57Å; V739-L745 HydrophobicContact CG1-CD2 4.16Å; L745-R747 PolarHBondContact O-N 3.42Å; L745-L750 HydrophobicContact CB-CD1 4.06Å; L745-L750 HydrophobicContact CD2-CD1 4.01Å
746	K	76	Confident	79.5	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.252	28%	0.275	S	S	.	.			trans	-88.7	79.8	166.1	-71.5	174.5	171.8	173.2	0	108.5	G737 L738 V739 T740 K744 F748 N749 L750	G737-K746 WeakPolarHBondContact O-CD 3.48Å; L738-K746 WeakPolarHBondContact O-CB 3.39Å; L738-K746 PolarHBondContact O-N 2.85Å; V739-K746 WeakPolarHBondContact O-CE 3.08Å; T740-K746 HydrophobicContact CG2-CG 4.19Å; K744-K746 PolarHBondContact O-N 3.16Å; K746-F748 VanDerWaalsContact C-N 3.25Å; K746-F748 PolarHBondContact O-N 3Å; K746-F748 VanDerWaalsContact O-N 3.14Å; K746-N749 HydrophobicContact CB-CB 4.04Å; K746-N749 PolarHBondContact O-N 3.3Å; K746-L750 PolarHBondContact O-N 3.12Å
747	R	83.4	Confident	80	Confident	52 Å²	52	55.4 Å²	55.4	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-48.3	-42.9	-174.8	-67.8	-171.3	-179.4	-64.5	-9.4	113.6	D604 E620 V634 L745 L750 Q751	D604-R747 IonicContact OD1-CZ 3.41Å; D604-R747 IonicContact OD1-NE 2.9Å; D604-R747 PolarHBondContact OD1-NE 2.85Å; D604-R747 IonicContact OD1-NH2 2.75Å; E620-R747 IonicContact OE1-CZ 3.98Å; E620-R747 VanDerWaalsContact OE1-CZ 3.29Å; E620-R747 IonicContact OE1-NH1 3.75Å; E620-R747 PolarHBondContact OE1-NH1 3.03Å; E620-R747 IonicContact OE1-NH2 3.67Å; E620-R747 PolarHBondContact OE1-NH2 3.29Å; E620-R747 IonicContact OE2-CZ 3.82Å; E620-R747 IonicContact OE2-NH1 3.2Å; E620-R747 IonicContact OE2-NH2 3.89Å; E620-R747 PolarHBondContact OE2-NH2 2.72Å; V634-R747 PolarHBondContact O-NH1 3.21Å; L745-R747 PolarHBondContact O-N 3.42Å; R747-L750 PolarHBondContact O-N 3.43Å; R747-Q751 VanDerWaalsContact O-CB 3.31Å; R747-Q751 WeakPolarHBondContact O-CB 3.43Å; R747-Q751 PolarHBondContact O-N 3.14Å
748	F	74.5	Confident	80.6	Confident	125 Å²	125	54.9 Å²	54.9	55%	0.548	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-43.3	178.1	-179	-98	0	0	0	112.7	K746 Q751 T752	K746-F748 VanDerWaalsContact C-N 3.25Å; K746-F748 PolarHBondContact O-N 3Å; K746-F748 VanDerWaalsContact O-N 3.14Å; F748-Q751 PolarHBondContact O-N 3.24Å; F748-T752 WeakPolarHBondContact O-CB 3.21Å; F748-T752 PolarHBondContact O-N 3.13Å; F748-T752 PolarHBondContact O-OG1 3.02Å
749	N	82.6	Confident	80.8	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	28%	0.283	S	S	.	.	H	α-helix	trans	-68.6	-39.5	178.3	-68.2	9.4	0	0	0	111.1	G737 L738 K746 T752 R753	G737-N749 PolarHBondContact O-ND2 3.5Å; L738-N749 HydrophobicContact CD2-CB 4.23Å; K746-N749 HydrophobicContact CB-CB 4.04Å; K746-N749 PolarHBondContact O-N 3.3Å; N749-T752 PolarHBondContact O-N 3.37Å; N749-R753 WeakPolarHBondContact O-CB 3.35Å; N749-R753 PolarHBondContact O-N 3.1Å
750	L	88.3	Confident	81.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-48.4	174.1	-74.2	163.3	0	0	0	111	C633 W732 L738 L745 K746 R747 T752 R753 F754	C633-L750 HydrophobicContact CB-CD1 3.9Å; W732-L750 HydrophobicContact CD2-CD2 3.8Å; W732-L750 VanDerWaalsContact CE2-CD2 3.48Å; W732-L750 HydrophobicContact CE3-CD1 4.27Å; W732-L750 HydrophobicContact CE3-CD2 4.14Å; W732-L750 HydrophobicContact CG-CD2 4.4Å; W732-L750 HydrophobicContact CH2-CD1 4.32Å; W732-L750 HydrophobicContact CH2-CD2 3.94Å; W732-L750 HydrophobicContact CZ2-CD2 3.57Å; W732-L750 HydrophobicContact CZ3-CD1 4.07Å; W732-L750 HydrophobicContact CZ3-CD2 4.21Å; L738-L750 HydrophobicContact CB-CD2 4.09Å; L738-L750 HydrophobicContact CB-CG 4.44Å; L738-L750 HydrophobicContact CD1-CD2 4.12Å; L738-L750 HydrophobicContact CD2-CD2 4.01Å; L738-L750 HydrophobicContact CD2-CG 4.31Å; L738-L750 HydrophobicContact CG-CD2 4.31Å; L745-L750 HydrophobicContact CB-CD1 4.06Å; L745-L750 HydrophobicContact CD2-CD1 4.01Å; K746-L750 PolarHBondContact O-N 3.12Å; R747-L750 PolarHBondContact O-N 3.43Å; L750-T752 VanDerWaalsContact C-N 3.32Å; L750-T752 PolarHBondContact O-N 3.38Å; L750-R753 WeakPolarHBondContact O-CB 3.36Å; L750-R753 PolarHBondContact O-N 3.34Å; L750-R753 VanDerWaalsContact O-N 3.13Å; L750-F754 HydrophobicContact CD2-CD2 4.45Å; L750-F754 HydrophobicContact CD2-CE2 3.97Å; L750-F754 WeakPolarHBondContact O-CD2 3.37Å; L750-F754 PolarHBondContact O-N 3.47Å
751	Q	84.2	Confident	82.4	Confident	66 Å²	66	63.4 Å²	63.4	31%	0.308	31%	0.305	S	S	.	.	H	α-helix	trans	-56.6	-46.5	175.2	-178.7	-177.4	-3.2	0	0	111.5	Y635 R747 F748 R753 F754 Q755 I758	Y635-Q751 HydrophobicContact CD2-CG 4.43Å; Y635-Q751 HydrophobicContact CE2-CG 3.82Å; Y635-Q751 PolarHBondContact OH-NE2 3.4Å; R747-Q751 VanDerWaalsContact O-CB 3.31Å; R747-Q751 WeakPolarHBondContact O-CB 3.43Å; R747-Q751 PolarHBondContact O-N 3.14Å; F748-Q751 PolarHBondContact O-N 3.24Å; Q751-R753 VanDerWaalsContact C-N 3.3Å; Q751-R753 PolarHBondContact O-N 2.9Å; Q751-F754 CarbonylContact O-C 3.49Å; Q751-F754 PolarHBondContact O-N 2.7Å; Q751-Q755 WeakPolarHBondContact O-CA 3.43Å; Q751-Q755 PolarHBondContact O-N 3.16Å; Q751-I758 HydrophobicContact CG-CD1 3.85Å
752	T	83.5	Confident	83.5	Confident	84 Å²	84	61.4 Å²	61.4	52%	0.515	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-40.9	177.6	-56.4	0	0	0	0	111.4	F748 N749 L750	F748-T752 WeakPolarHBondContact O-CB 3.21Å; F748-T752 PolarHBondContact O-N 3.13Å; F748-T752 PolarHBondContact O-OG1 3.02Å; N749-T752 PolarHBondContact O-N 3.37Å; L750-T752 VanDerWaalsContact C-N 3.32Å; L750-T752 PolarHBondContact O-N 3.38Å
753	R	89.7	Confident	84.1	Confident	101 Å²	101	65.3 Å²	65.3	38%	0.381	31%	0.305	S	S	.	.	H	α-helix	trans	-66.1	-42.9	177.4	174.8	173.8	-180	68.3	9.9	112.5	D728 L738 N749 L750 Q751 Q755	D728-R753 IonicContact OD1-CZ 2.78Å; D728-R753 IonicContact OD1-NE 2.69Å; D728-R753 PolarHBondContact OD1-NE 3.06Å; D728-R753 IonicContact OD1-NH2 2.77Å; D728-R753 PolarHBondContact OD1-NH2 3.07Å; D728-R753 IonicContact OD2-CZ 3.09Å; D728-R753 IonicContact OD2-NE 3.28Å; D728-R753 PolarHBondContact OD2-NE 2.88Å; D728-R753 IonicContact OD2-NH2 3.9Å; L738-R753 HydrophobicContact CD2-CB 4.47Å; N749-R753 WeakPolarHBondContact O-CB 3.35Å; N749-R753 PolarHBondContact O-N 3.1Å; L750-R753 WeakPolarHBondContact O-CB 3.36Å; L750-R753 PolarHBondContact O-N 3.34Å; L750-R753 VanDerWaalsContact O-N 3.13Å; Q751-R753 VanDerWaalsContact C-N 3.3Å; Q751-R753 PolarHBondContact O-N 2.9Å; R753-Q755 VanDerWaalsContact C-N 3.32Å
754	F	92.5	Very high	83.2	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.018	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	13.3	-177	-72.7	-74.8	0	0	0	113.3	F646 A726 D728 W732 L750 Q751 H756 E757 I758	F646-F754 HydrophobicContact CB-CD1 4.43Å; F646-F754 HydrophobicContact CB-CD2 3.8Å; F646-F754 HydrophobicContact CB-CE1 4.2Å; F646-F754 HydrophobicContact CB-CE2 3.58Å; F646-F754 HydrophobicContact CB-CG 4.24Å; F646-F754 HydrophobicContact CB-CZ 3.77Å; F646-F754 HydrophobicContact CD1-CB 3.98Å; F646-F754 AromaticContact CD1-CD1 3.95Å; F646-F754 HydrophobicContact CD1-CD1 3.95Å; F646-F754 HydrophobicContact CD1-CD2 4.07Å; F646-F754 HydrophobicContact CD1-CE1 4.45Å; F646-F754 AromaticContact CD1-CG 3.73Å; F646-F754 HydrophobicContact CD1-CG 3.73Å; F646-F754 HydrophobicContact CD2-CB 4.16Å; F646-F754 AromaticContact CD2-CD2 3.49Å; F646-F754 HydrophobicContact CD2-CD2 3.49Å; F646-F754 VanDerWaalsContact CD2-CD2 3.49Å; F646-F754 HydrophobicContact CD2-CE2 4.09Å; F646-F754 AromaticContact CD2-CG 3.92Å; F646-F754 HydrophobicContact CD2-CG 3.92Å; F646-F754 HydrophobicContact CE1-CB 3.77Å; F646-F754 HydrophobicContact CE1-CD1 4.49Å; F646-F754 HydrophobicContact CE1-CG 4.07Å; F646-F754 HydrophobicContact CE2-CB 3.95Å; F646-F754 HydrophobicContact CE2-CD2 4.09Å; F646-F754 HydrophobicContact CE2-CG 4.23Å; F646-F754 HydrophobicContact CG-CB 4.19Å; F646-F754 HydrophobicContact CG-CD1 4.14Å; F646-F754 AromaticContact CG-CD2 3.49Å; F646-F754 HydrophobicContact CG-CD2 3.49Å; F646-F754 VanDerWaalsContact CG-CD2 3.49Å; F646-F754 HydrophobicContact CG-CE1 4.4Å; F646-F754 AromaticContact CG-CE2 3.84Å; F646-F754 HydrophobicContact CG-CE2 3.84Å; F646-F754 AromaticContact CG-CG 3.67Å; F646-F754 HydrophobicContact CG-CG 3.67Å; F646-F754 HydrophobicContact CG-CZ 4.25Å; F646-F754 HydrophobicContact CZ-CB 3.78Å; F646-F754 HydrophobicContact CZ-CG 4.32Å; A726-F754 HydrophobicContact CB-CD1 4.17Å; A726-F754 HydrophobicContact CB-CE1 4.17Å; D728-F754 HydrophobicContact CB-CE1 4.36Å; D728-F754 HydrophobicContact CB-CZ 3.66Å; D728-F754 VanDerWaalsContact CG-CZ 3.46Å; D728-F754 VanDerWaalsContact OD2-CZ 3.26Å; D728-F754 WeakPolarHBondContact OD2-CZ 3.24Å; W732-F754 AromaticContact CZ2-CE2 3.96Å; W732-F754 HydrophobicContact CZ2-CE2 3.96Å; W732-F754 HydrophobicContact CZ2-CZ 4.27Å; L750-F754 HydrophobicContact CD2-CD2 4.45Å; L750-F754 HydrophobicContact CD2-CE2 3.97Å; L750-F754 WeakPolarHBondContact O-CD2 3.37Å; L750-F754 PolarHBondContact O-N 3.47Å; Q751-F754 CarbonylContact O-C 3.49Å; Q751-F754 PolarHBondContact O-N 2.7Å; F754-H756 VanDerWaalsContact C-N 3.26Å; F754-H756 PolarHBondContact O-N 3.44Å; F754-E757 WeakPolarHBondContact CA-OE2 2.86Å; F754-E757 HydrophobicContact CD1-CB 4.23Å; F754-E757 HydrophobicContact CD1-CG 4.18Å; F754-E757 CarbonylContact O-C 3.38Å; F754-E757 PolarHBondContact O-N 3.06Å; F754-I758 HydrophobicContact CB-CD1 4.41Å; F754-I758 HydrophobicContact CB-CG1 4.4Å; F754-I758 VanDerWaalsContact O-CG1 3.24Å; F754-I758 WeakPolarHBondContact O-CG1 3.35Å; F754-I758 PolarHBondContact O-N 3.4Å
755	Q	89.3	Confident	82	Confident	77 Å²	77	68.5 Å²	68.5	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-56.7	-41.3	-172.6	-176.8	58.9	37.5	0	0	112.3	Q751 R753 I758 E759	Q751-Q755 WeakPolarHBondContact O-CA 3.43Å; Q751-Q755 PolarHBondContact O-N 3.16Å; R753-Q755 VanDerWaalsContact C-N 3.32Å; Q755-I758 PolarHBondContact O-N 3.42Å; Q755-E759 PolarHBondContact NE2-OE1 3.23Å; Q755-E759 WeakPolarHBondContact O-CG 3.29Å; Q755-E759 PolarHBondContact O-N 3Å; Q755-E759 VanDerWaalsContact O-N 3.16Å
756	H	90.7	Very high	79.9	Confident	130 Å²	130	72.7 Å²	72.7	60%	0.602	35%	0.348	S	S	*	.	H	α-helix	trans	-66.6	-43.5	176.9	179.3	-81.1	0	0	0	111.9	F754 E759 E760	F754-H756 VanDerWaalsContact C-N 3.26Å; F754-H756 PolarHBondContact O-N 3.44Å; H756-E759 PolarHBondContact O-N 3.14Å; H756-E760 PolarHBondContact O-N 3.02Å
757	E	91.7	Very high	77.7	Confident	69 Å²	69	81.7 Å²	81.7	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-66.4	-37.4	176.9	-67.5	78.8	-179.2	0	0	111.9	A726 F754 E759 E760 L761	A726-E757 HydrophobicContact CB-CB 4.14Å; A726-E757 HydrophobicContact CB-CG 4.25Å; F754-E757 WeakPolarHBondContact CA-OE2 2.86Å; F754-E757 HydrophobicContact CD1-CB 4.23Å; F754-E757 HydrophobicContact CD1-CG 4.18Å; F754-E757 CarbonylContact O-C 3.38Å; F754-E757 PolarHBondContact O-N 3.06Å; E757-E759 VanDerWaalsContact C-N 3.33Å; E757-E759 PolarHBondContact O-N 3.38Å; E757-E760 PolarHBondContact O-N 3.02Å; E757-L761 WeakPolarHBondContact O-CB 3.39Å; E757-L761 WeakPolarHBondContact O-CG 3.31Å; E757-L761 PolarHBondContact O-N 3.23Å
758	I	89.2	Confident	75.2	Confident	9 Å²	9	87.1 Å²	87.1	5%	0.046	44%	0.436	C	S	.	.	H	α-helix	trans	-58.2	-49.1	174.5	-70.5	165.5	0	0	0	109.7	Y635 I644 F646 Q751 F754 Q755 L761 Y762	Y635-I758 HydrophobicContact CD1-CD1 4.35Å; Y635-I758 HydrophobicContact CD1-CG1 4.29Å; Y635-I758 HydrophobicContact CD1-CG2 4.36Å; Y635-I758 HydrophobicContact CD2-CD1 4.35Å; Y635-I758 HydrophobicContact CE1-CD1 4.17Å; Y635-I758 HydrophobicContact CE1-CG1 4.3Å; Y635-I758 HydrophobicContact CE1-CG2 3.72Å; Y635-I758 HydrophobicContact CE2-CD1 4.19Å; Y635-I758 HydrophobicContact CG-CD1 4.42Å; I644-I758 HydrophobicContact CD1-CG1 4.18Å; F646-I758 HydrophobicContact CE1-CG1 3.86Å; F646-I758 HydrophobicContact CE2-CD1 4.35Å; F646-I758 HydrophobicContact CZ-CD1 3.66Å; F646-I758 HydrophobicContact CZ-CG1 3.45Å; F646-I758 VanDerWaalsContact CZ-CG1 3.45Å; Q751-I758 HydrophobicContact CG-CD1 3.85Å; F754-I758 HydrophobicContact CB-CD1 4.41Å; F754-I758 HydrophobicContact CB-CG1 4.4Å; F754-I758 VanDerWaalsContact O-CG1 3.24Å; F754-I758 WeakPolarHBondContact O-CG1 3.35Å; F754-I758 PolarHBondContact O-N 3.4Å; Q755-I758 PolarHBondContact O-N 3.42Å; I758-L761 PolarHBondContact O-N 3.39Å; I758-Y762 HydrophobicContact CG2-CD2 3.9Å; I758-Y762 HydrophobicContact CG2-CE2 4.19Å; I758-Y762 WeakPolarHBondContact O-CD2 3.45Å; I758-Y762 PolarHBondContact O-N 3.37Å
759	E	88	Confident	75.2	Confident	88 Å²	88	85.2 Å²	85.2	41%	0.411	43%	0.43	S	S	.	.	H	α-helix	trans	-59.8	-47	177.3	-72.5	169.3	-157.6	0	0	111.1	Q755 H756 E757 L761 Y762 Q763	Q755-E759 PolarHBondContact NE2-OE1 3.23Å; Q755-E759 WeakPolarHBondContact O-CG 3.29Å; Q755-E759 PolarHBondContact O-N 3Å; Q755-E759 VanDerWaalsContact O-N 3.16Å; H756-E759 PolarHBondContact O-N 3.14Å; E757-E759 VanDerWaalsContact C-N 3.33Å; E757-E759 PolarHBondContact O-N 3.38Å; E759-L761 PolarHBondContact O-N 3.2Å; E759-Y762 PolarHBondContact O-N 3.12Å; E759-Q763 WeakPolarHBondContact O-CB 3.48Å; E759-Q763 WeakPolarHBondContact O-CG 3.38Å; E759-Q763 PolarHBondContact O-N 3.25Å
760	E	89.5	Confident	74.8	Confident	86 Å²	86	86.3 Å²	86.3	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-42.6	178.6	-167.6	-172.1	163.2	0	0	112.7	H756 E757 Y762 K764	H756-E760 PolarHBondContact O-N 3.02Å; E757-E760 PolarHBondContact O-N 3.02Å; E760-Y762 VanDerWaalsContact C-N 3.34Å; E760-Y762 PolarHBondContact O-N 3.01Å; E760-K764 IonicContact OE1-NZ 3.17Å; E760-K764 PolarHBondContact OE1-NZ 3.3Å
761	L	89.3	Confident	74.1	Confident	30 Å²	30	91.1 Å²	91.1	16%	0.157	46%	0.459	C	S	.	.	H	α-helix	trans	-67.9	-33.5	-177	-71.8	-178.6	0	0	0	111.8	Y642 I644 K724 A726 E757 I758 E759	Y642-L761 PolarHBondContact OH-O 2.85Å; I644-L761 HydrophobicContact CB-CD1 4.39Å; I644-L761 HydrophobicContact CD1-CB 4.22Å; I644-L761 HydrophobicContact CD1-CD1 3.92Å; I644-L761 HydrophobicContact CG2-CB 4.45Å; K724-L761 HydrophobicContact CB-CB 4.49Å; K724-L761 HydrophobicContact CB-CD1 4.39Å; K724-L761 HydrophobicContact CB-CD2 3.85Å; K724-L761 HydrophobicContact CB-CG 4.46Å; K724-L761 HydrophobicContact CD-CB 4.25Å; K724-L761 HydrophobicContact CD-CD2 4.21Å; K724-L761 WeakPolarHBondContact CD-O 3.4Å; K724-L761 WeakPolarHBondContact CE-O 3.45Å; K724-L761 HydrophobicContact CG-CD2 4.49Å; K724-L761 PolarHBondContact NZ-O 3.39Å; A726-L761 HydrophobicContact CB-CD1 4.16Å; E757-L761 WeakPolarHBondContact O-CB 3.39Å; E757-L761 WeakPolarHBondContact O-CG 3.31Å; E757-L761 PolarHBondContact O-N 3.23Å; I758-L761 PolarHBondContact O-N 3.39Å; E759-L761 PolarHBondContact O-N 3.2Å
762	Y	86.1	Confident	73.5	Confident	13 Å²	13	92.5 Å²	92.5	5%	0.051	47%	0.468	C	S	.	.	H	α-helix	trans	-90.6	-28.8	175	-72.4	-60.4	0	0	0	114.2	Y635 D637 Q640 Y642 I644 I758 E759 E760 K764	Y635-Y762 AromaticContact CD1-CE2 3.91Å; Y635-Y762 HydrophobicContact CD1-CE2 3.91Å; Y635-Y762 AromaticContact CE1-CE2 3.81Å; Y635-Y762 HydrophobicContact CE1-CE2 3.81Å; D637-Y762 HydrophobicContact CB-CD2 4.27Å; D637-Y762 HydrophobicContact CB-CE2 3.74Å; D637-Y762 PolarHBondContact N-OH 2.79Å; Q640-Y762 HydrophobicContact CB-CD1 4.01Å; Q640-Y762 HydrophobicContact CB-CE1 3.58Å; Q640-Y762 HydrophobicContact CG-CD1 3.38Å; Q640-Y762 HydrophobicContact CG-CE1 3.43Å; Q640-Y762 VanDerWaalsContact CG-CE1 3.43Å; Q640-Y762 HydrophobicContact CG-CG 4Å; Y642-Y762 HydrophobicContact CD2-CE1 4.16Å; Y642-Y762 AromaticContact CE2-CD1 3.95Å; Y642-Y762 HydrophobicContact CE2-CD1 3.95Å; Y642-Y762 AromaticContact CE2-CE1 3.57Å; Y642-Y762 HydrophobicContact CE2-CE1 3.57Å; Y642-Y762 AromaticContact CZ-CD1 3.82Å; Y642-Y762 AromaticContact CZ-CE1 3.86Å; Y642-Y762 PolarHBondContact O-OH 3.22Å; Y642-Y762 WeakPolarHBondContact OH-CD1 3.49Å; I644-Y762 HydrophobicContact CD1-CD2 4.18Å; I644-Y762 HydrophobicContact CD1-CE2 3.6Å; I644-Y762 HydrophobicContact CG1-CE2 4.04Å; I644-Y762 HydrophobicContact CG2-CE1 4Å; I644-Y762 HydrophobicContact CG2-CE2 4.34Å; I758-Y762 HydrophobicContact CG2-CD2 3.9Å; I758-Y762 HydrophobicContact CG2-CE2 4.19Å; I758-Y762 WeakPolarHBondContact O-CD2 3.45Å; I758-Y762 PolarHBondContact O-N 3.37Å; E759-Y762 PolarHBondContact O-N 3.12Å; E760-Y762 VanDerWaalsContact C-N 3.34Å; E760-Y762 PolarHBondContact O-N 3.01Å; Y762-K764 PolarHBondContact O-N 2.78Å
763	Q	73.4	Confident	72.9	Confident	124 Å²	124	93.1 Å²	93.1	58%	0.579	47%	0.465	S	S	*	.	H	α-helix	trans	-66.6	-32	-178.2	-83.1	178.1	15.5	0	0	114.1	E759 D765 T766	E759-Q763 WeakPolarHBondContact O-CB 3.48Å; E759-Q763 WeakPolarHBondContact O-CG 3.38Å; E759-Q763 PolarHBondContact O-N 3.25Å; Q763-D765 PolarHBondContact O-N 3.3Å; Q763-T766 PolarHBondContact O-N 3.16Å; Q763-T766 PolarHBondContact O-OG1 3.2Å
764	K	51.4	Low	71.7	Confident	146 Å²	146	92.5 Å²	92.5	64%	0.635	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.4	-177.8	-83.6	177.1	-178.9	152.6	0	114.9	E760 Y762	E760-K764 IonicContact OE1-NZ 3.17Å; E760-K764 PolarHBondContact OE1-NZ 3.3Å; Y762-K764 PolarHBondContact O-N 2.78Å
765	D	49	Very low	70.2	Confident	73 Å²	73	98.9 Å²	98.9	39%	0.39	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.7	-178.2	-63.6	-1.3	0	0	0	114	Y642 K724 Q763 R767	Y642-D765 WeakPolarHBondContact CE1-OD2 3.42Å; Y642-D765 PolarHBondContact OH-OD2 3.21Å; K724-D765 IonicContact NZ-OD1 4Å; K724-D765 PolarHBondContact NZ-OD1 3.36Å; K724-D765 IonicContact NZ-OD2 2.65Å; K724-D765 PolarHBondContact NZ-OD2 2.95Å; Q763-D765 PolarHBondContact O-N 3.3Å; D765-R767 PolarHBondContact O-N 3.12Å
766	T	36.3	Very low	68.8	Low	127 Å²	127	100.5 Å²	100.5	78%	0.779	51%	0.514	S	S	*	.			trans	-80.8	18.3	173.3	44.7	0	0	0	0	114.6	Q763	Q763-T766 PolarHBondContact O-N 3.16Å; Q763-T766 PolarHBondContact O-OG1 3.2Å
767	R	28.9	Very low	67	Low	246 Å²	246	98.1 Å²	98.1	93%	0.928	51%	0.506	S	S	*	.			trans	-114.3	69.4	160	-73.5	-172.8	179.6	-177.6	0.8	109.1	D765	D765-R767 PolarHBondContact O-N 3.12Å
768	A	30.8	Very low	64.7	Low	166 Å²	166	100.7 Å²	100.7	100%	1.372	52%	0.523	S	S	*	.			trans	-104.5	0	158.3	0	0	0	0	0	108.4

Retrieved 768 of 768 residues in 1651 ms (Link to these results)

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