A0A3Q0KL25_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KL25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 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	40.9	Very low	54.8	Low	249 Å²	249	125.9 Å²	125.9	100%	1.227	76%	0.762	S	S	*	*				0	90.6	0	-72.5	-177.3	171.7	0	0	107.6	S3	M1-S3 PolarHBondContact O-N 3.43Å
2	T	42.7	Very low	56.9	Low	139 Å²	139	127.5 Å²	127.5	85%	0.853	77%	0.772	S	S	*	*			trans	-79.9	104.2	177.7	41.1	0	0	0	0	108.4	N4	T2-N4 PolarHBondContact O-N 2.85Å
3	S	44.1	Very low	58.9	Low	112 Å²	112	127.3 Å²	127.3	78%	0.783	77%	0.772	S	S	*	*			trans	-67.5	115.4	172.6	52.4	0	0	0	0	109.4	M1 A5	M1-S3 PolarHBondContact O-N 3.43Å; S3-A5 PolarHBondContact O-N 2.7Å
4	N	44.6	Very low	60.8	Low	155 Å²	155	124.6 Å²	124.6	83%	0.829	75%	0.751	S	S	*	*			trans	-61.5	97.6	165.4	-83.4	-14.9	0	0	0	108.7	T2 T6	T2-N4 PolarHBondContact O-N 2.85Å; N4-T6 PolarHBondContact O-N 3.49Å
5	A	51.1	Low	62.7	Low	84 Å²	84	121.9 Å²	121.9	69%	0.694	72%	0.722	S	S	*	*			trans	-70.7	102.9	159.9	0	0	0	0	0	106.9	S3 V7	S3-A5 PolarHBondContact O-N 2.7Å; A5-V7 PolarHBondContact O-N 3.46Å
6	T	48.8	Very low	64.4	Low	129 Å²	129	121.2 Å²	121.2	79%	0.791	72%	0.719	S	S	*	*			trans	-57.7	103	166.8	8	0	0	0	0	107.9	N4 T8	N4-T6 PolarHBondContact O-N 3.49Å; T6-T8 VanDerWaalsContact C-N 3.3Å; T6-T8 PolarHBondContact O-N 3.39Å
7	V	55.9	Low	65.9	Low	136 Å²	136	118.1 Å²	118.1	82%	0.824	70%	0.701	S	S	*	*			trans	-67.8	93.6	169.5	-179.5	0	0	0	0	106.6	A5 S9	A5-V7 PolarHBondContact O-N 3.46Å; V7-S9 VanDerWaalsContact C-N 3.35Å; V7-S9 PolarHBondContact O-N 3.47Å
8	T	61.5	Low	67.3	Low	115 Å²	115	120.2 Å²	120.2	71%	0.706	70%	0.7	S	S	*	*			trans	-65.3	101.4	163.8	44.7	0	0	0	0	106.9	T6 N10	T6-T8 VanDerWaalsContact C-N 3.3Å; T6-T8 PolarHBondContact O-N 3.39Å; T8-N10 PolarHBondContact O-N 2.72Å
9	S	67.2	Low	68.6	Low	108 Å²	108	119.5 Å²	119.5	76%	0.755	70%	0.702	S	S	*	*			trans	-51.1	108.6	168.6	162.2	0	0	0	0	108.7	V7 S11	V7-S9 VanDerWaalsContact C-N 3.35Å; V7-S9 PolarHBondContact O-N 3.47Å; S9-S11 PolarHBondContact O-N 3.27Å
10	N	68.2	Low	69.8	Low	114 Å²	114	118.2 Å²	118.2	61%	0.61	69%	0.691	S	S	*	*			trans	-60.1	128.6	171.9	-72.9	-27.8	0	0	0	108.5	T8 T12	T8-N10 PolarHBondContact O-N 2.72Å; N10-T12 PolarHBondContact O-N 3.04Å
11	S	78.3	Confident	70.8	Confident	44 Å²	44	117 Å²	117	31%	0.308	69%	0.687	S	S	.	*			trans	-60.6	130	174.7	174.8	0	0	0	0	109.5	S9 T13 D14	S9-S11 PolarHBondContact O-N 3.27Å; S11-T13 VanDerWaalsContact C-N 3.27Å; S11-T13 PolarHBondContact OG-N 3.3Å; S11-T13 PolarHBondContact OG-OG1 3.42Å; S11-D14 WeakPolarHBondContact CB-OD2 3.38Å; S11-D14 WeakPolarHBondContact OG-CB 3.2Å; S11-D14 PolarHBondContact OG-N 2.89Å; S11-D14 VanDerWaalsContact OG-N 3.09Å; S11-D14 PolarHBondContact OG-OD2 2.89Å
12	T	79.4	Confident	73.3	Confident	145 Å²	145	111.4 Å²	111.4	89%	0.89	66%	0.657	S	S	*	*	S	Bend	trans	-82.2	-8	176.5	55.4	0	0	0	0	112.7	N10	N10-T12 PolarHBondContact O-N 3.04Å
13	T	82.5	Confident	75.8	Confident	125 Å²	125	107.6 Å²	107.6	77%	0.767	64%	0.635	S	S	*	*	S	Bend	trans	-105.7	-25.8	178.3	53.8	0	0	0	0	112.6	S11	S11-T13 VanDerWaalsContact C-N 3.27Å; S11-T13 PolarHBondContact OG-N 3.3Å; S11-T13 PolarHBondContact OG-OG1 3.42Å
14	D	86.5	Confident	78.4	Confident	90 Å²	90	104.3 Å²	104.3	48%	0.481	61%	0.611	S	S	.	*	S	Bend	trans	-89.2	151.2	177.3	-56.3	-45.4	0	0	0	111.4	S11 V16	S11-D14 WeakPolarHBondContact CB-OD2 3.38Å; S11-D14 WeakPolarHBondContact OG-CB 3.2Å; S11-D14 PolarHBondContact OG-N 2.89Å; S11-D14 VanDerWaalsContact OG-N 3.09Å; S11-D14 PolarHBondContact OG-OD2 2.89Å; D14-V16 PolarHBondContact O-N 3.03Å
15	R	88.9	Confident	80.8	Confident	84 Å²	84	103.9 Å²	103.9	32%	0.317	61%	0.614	S	S	.	*			trans	-58.7	125.6	171.8	-171.5	176.8	-171.4	-157.2	-2.4	110.4	V17 K18 I20 P21 H22	R15-V17 PolarHBondContact NE-O 2.76Å; R15-K18 WeakPolarHBondContact O-CG 3.3Å; R15-I20 PolarHBondContact NH1-O 2.8Å; R15-I20 PolarHBondContact NH2-O 2.78Å; R15-I20 VanDerWaalsContact NH2-O 3.13Å; R15-P21 PolarHBondContact NH2-O 3.44Å; R15-P21 VanDerWaalsContact NH2-O 3.11Å; R15-H22 WeakPolarHBondContact CD-CE1 3.35Å; R15-H22 VanDerWaalsContact CD-NE2 3.26Å; R15-H22 WeakPolarHBondContact CD-NE2 3.45Å; R15-H22 PolarHBondContact NH1-CD2 3.17Å; R15-H22 PolarHBondContact NH1-CE1 3.29Å; R15-H22 VanDerWaalsContact NH1-CE1 3.28Å; R15-H22 PolarHBondContact NH1-NE2 2.88Å
16	V	90.2	Very high	83.1	Confident	110 Å²	110	104.4 Å²	104.4	67%	0.667	60%	0.602	S	S	*	*	S	Bend	trans	-66.2	-48.7	-178.7	-179.9	0	0	0	0	111.5	D14	D14-V16 PolarHBondContact O-N 3.03Å
17	V	89.6	Confident	85.4	Confident	69 Å²	69	102.7 Å²	102.7	42%	0.418	58%	0.581	S	S	.	*			trans	-102.7	85.2	-177.9	-167.4	0	0	0	0	110.2	R15 S19 I20	R15-V17 PolarHBondContact NE-O 2.76Å; V17-S19 VanDerWaalsContact C-N 3.29Å; V17-S19 PolarHBondContact O-N 3.22Å; V17-I20 HydrophobicContact CB-CD1 4.15Å; V17-I20 HydrophobicContact CG1-CD1 3.65Å; V17-I20 HydrophobicContact CG1-CG1 3.74Å
18	K	90.6	Very high	87.4	Confident	156 Å²	156	97.1 Å²	97.1	68%	0.678	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.2	-176.6	-61.5	-175.9	-179.6	-178.8	0	114.3	R15	R15-K18 WeakPolarHBondContact O-CG 3.3Å
19	S	93.3	Very high	89.2	Confident	106 Å²	106	93.8 Å²	93.8	74%	0.741	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.1	-178.4	52.1	0	0	0	0	114.1	V17	V17-S19 VanDerWaalsContact C-N 3.29Å; V17-S19 PolarHBondContact O-N 3.22Å
20	I	91.1	Very high	90.7	Very high	94 Å²	94	91.1 Å²	91.1	48%	0.482	50%	0.503	S	S	.	.	S	Bend	trans	-78.1	131.2	177.9	-62.9	173.7	0	0	0	108	R15 V17	R15-I20 PolarHBondContact NH1-O 2.8Å; R15-I20 PolarHBondContact NH2-O 2.78Å; R15-I20 VanDerWaalsContact NH2-O 3.13Å; V17-I20 HydrophobicContact CB-CD1 4.15Å; V17-I20 HydrophobicContact CG1-CD1 3.65Å; V17-I20 HydrophobicContact CG1-CG1 3.74Å
21	P	92.5	Very high	92	Very high	92 Å²	92	92.3 Å²	92.3	60%	0.597	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-55.6	155.6	174.2	-26.8	36.1	0	0	0	113.1	R15	R15-P21 PolarHBondContact NH2-O 3.44Å; R15-P21 VanDerWaalsContact NH2-O 3.11Å
22	H	92	Very high	92.9	Very high	132 Å²	132	93.8 Å²	93.8	61%	0.611	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-95.4	134.5	169.8	-84.6	-76.7	0	0	0	109.4	R15	R15-H22 WeakPolarHBondContact CD-CE1 3.35Å; R15-H22 VanDerWaalsContact CD-NE2 3.26Å; R15-H22 WeakPolarHBondContact CD-NE2 3.45Å; R15-H22 PolarHBondContact NH1-CD2 3.17Å; R15-H22 PolarHBondContact NH1-CE1 3.29Å; R15-H22 VanDerWaalsContact NH1-CE1 3.28Å; R15-H22 PolarHBondContact NH1-NE2 2.88Å
23	P	96.3	Very high	93.8	Very high	59 Å²	59	86.9 Å²	86.9	38%	0.383	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-57	132.5	164.5	-27.1	36.5	0	0	0	111.1	T25 L51 E52	P23-T25 PolarHBondContact O-N 2.88Å; P23-L51 WeakPolarHBondContact CA-O 3.16Å; P23-E52 HydrophobicContact CB-CB 4.09Å; P23-E52 HydrophobicContact CG-CB 4.19Å
24	P	97.1	Very high	94.6	Very high	44 Å²	44	81.4 Å²	81.4	29%	0.286	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-57.1	132.6	175.9	-25.6	33.4	0	0	0	111.8	L51	P24-L51 WeakPolarHBondContact CD-O 3.22Å; P24-L51 HydrophobicContact CG-CB 3.93Å; P24-L51 HydrophobicContact CG-CD1 4.46Å
25	T	96.5	Very high	95	Very high	146 Å²	146	79.1 Å²	79.1	90%	0.896	42%	0.418	S	S	*	.	S	Bend	trans	-79.5	-28	173.8	53.2	0	0	0	0	112.4	P23	P23-T25 PolarHBondContact O-N 2.88Å
26	H	97.8	Very high	95.3	Very high	94 Å²	94	83.4 Å²	83.4	44%	0.435	45%	0.445	S	S	.	.	S	Bend	trans	-69.9	134.5	177.1	179.8	55.7	0	0	0	110.9	E32 H48	H26-E32 IonicContact CD2-OE1 3.59Å; H26-E32 IonicContact CD2-OE2 3.81Å; H26-E32 IonicContact CE1-OE2 2.88Å; H26-E32 IonicContact NE2-OE1 2.79Å; H26-E32 PolarHBondContact NE2-OE1 3.23Å; H26-E32 VanDerWaalsContact NE2-OE1 3.12Å; H26-E32 IonicContact NE2-OE2 3.86Å; H26-E32 PolarHBondContact NE2-OE2 2.68Å; H26-H48 PolarHBondContact O-CE1 3.32Å
27	R	98.4	Very high	95.5	Very high	94 Å²	94	85.6 Å²	85.6	36%	0.355	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-99.6	122.2	173.1	-69.1	-172.4	-179.2	-126	8.5	109.7	T29 R54 V55 T56 K168	R27-T29 PolarHBondContact O-N 2.9Å; R27-R54 WeakPolarHBondContact CA-O 3.35Å; R27-R54 HydrophobicContact CG-CB 4.28Å; R27-V55 PolarHBondContact NH1-O 3.43Å; R27-T56 HydrophobicContact CB-CG2 3.95Å; R27-K168 PolarHBondContact NH1-O 3.12Å; R27-K168 PolarHBondContact NH2-O 2.94Å
28	L	98.4	Very high	95.7	Very high	19 Å²	19	83.4 Å²	83.4	10%	0.099	44%	0.438	C	S	.	.	B	Isolated β-bridge	trans	-61.9	133.8	-177.8	-61.8	179.4	0	0	0	111.7	E32 V33 H48 R54 V55 T56	L28-E32 VanDerWaalsContact CA-OE2 3.24Å; L28-E32 WeakPolarHBondContact CA-OE2 3.29Å; L28-E32 HydrophobicContact CB-CB 4.35Å; L28-E32 HydrophobicContact CD2-CB 4.25Å; L28-V33 HydrophobicContact CB-CG2 3.64Å; L28-V33 HydrophobicContact CD1-CG2 3.98Å; L28-V33 HydrophobicContact CG-CG2 4.47Å; L28-H48 HydrophobicContact CD1-CB 3.65Å; L28-H48 HydrophobicContact CG-CB 4.43Å; L28-R54 PolarHBondContact N-O 3.01Å; L28-V55 HydrophobicContact CB-CG1 4.2Å; L28-T56 WeakPolarHBondContact O-CG2 3.31Å; L28-T56 PolarHBondContact O-N 3.01Å
29	T	98.5	Very high	96	Very high	44 Å²	44	80 Å²	80	27%	0.27	42%	0.424	S	S	.	.			trans	-88.1	176.2	-179.6	78.1	0	0	0	0	112.5	R27 E31 E32 V33 V59	R27-T29 PolarHBondContact O-N 2.9Å; T29-E31 VanDerWaalsContact C-N 3.29Å; T29-E31 WeakPolarHBondContact CB-OE2 3.44Å; T29-E31 PolarHBondContact O-N 3.03Å; T29-E31 PolarHBondContact OG1-N 3.41Å; T29-E31 PolarHBondContact OG1-OE2 3.19Å; T29-E32 PolarHBondContact N-OE2 3.48Å; T29-E32 PolarHBondContact O-N 2.83Å; T29-V33 WeakPolarHBondContact O-CG2 3.46Å; T29-V33 PolarHBondContact O-N 3.27Å; T29-V33 VanDerWaalsContact O-N 3.11Å; T29-V59 WeakPolarHBondContact O-CG2 3.4Å
30	L	97.6	Very high	96.2	Very high	52 Å²	52	75.3 Å²	75.3	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-39.1	178.5	-73.8	168.1	0	0	0	112.1	E32 V33 F34 Q58 V59 R62	L30-E32 VanDerWaalsContact C-N 3.3Å; L30-E32 PolarHBondContact O-N 2.99Å; L30-V33 PolarHBondContact O-N 3.29Å; L30-F34 HydrophobicContact CD2-CD2 4.05Å; L30-F34 HydrophobicContact CD2-CE2 4.05Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.29Å; L30-Q58 HydrophobicContact CD1-CB 4.37Å; L30-V59 HydrophobicContact CB-CG2 4.42Å; L30-V59 HydrophobicContact CD2-CB 4.47Å; L30-V59 HydrophobicContact CD2-CG2 3.8Å; L30-V59 HydrophobicContact CG-CG2 3.94Å; L30-R62 HydrophobicContact CD2-CB 4.27Å
31	E	96.8	Very high	96.5	Very high	140 Å²	140	75.6 Å²	75.6	65%	0.654	39%	0.386	S	S	*	.	H	α-helix	trans	-70.5	-28.2	-179.2	-58	72.5	-156.9	0	0	112.3	T29	T29-E31 VanDerWaalsContact C-N 3.29Å; T29-E31 WeakPolarHBondContact CB-OE2 3.44Å; T29-E31 PolarHBondContact O-N 3.03Å; T29-E31 PolarHBondContact OG1-N 3.41Å; T29-E31 PolarHBondContact OG1-OE2 3.19Å
32	E	97.7	Very high	96.7	Very high	74 Å²	74	72.6 Å²	72.6	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-82.8	-28.2	178	-65.5	175.6	126.3	0	0	112.2	H26 L28 T29 L30 R41	H26-E32 IonicContact CD2-OE1 3.59Å; H26-E32 IonicContact CD2-OE2 3.81Å; H26-E32 IonicContact CE1-OE2 2.88Å; H26-E32 IonicContact NE2-OE1 2.79Å; H26-E32 PolarHBondContact NE2-OE1 3.23Å; H26-E32 VanDerWaalsContact NE2-OE1 3.12Å; H26-E32 IonicContact NE2-OE2 3.86Å; H26-E32 PolarHBondContact NE2-OE2 2.68Å; L28-E32 VanDerWaalsContact CA-OE2 3.24Å; L28-E32 WeakPolarHBondContact CA-OE2 3.29Å; L28-E32 HydrophobicContact CB-CB 4.35Å; L28-E32 HydrophobicContact CD2-CB 4.25Å; T29-E32 PolarHBondContact N-OE2 3.48Å; T29-E32 PolarHBondContact O-N 2.83Å; L30-E32 VanDerWaalsContact C-N 3.3Å; L30-E32 PolarHBondContact O-N 2.99Å; E32-R41 WeakPolarHBondContact O-CD 3.47Å
33	V	98.1	Very high	96.9	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-98.7	-29.1	-177.1	177	0	0	0	0	113.1	L28 T29 L30 P40 R41 L45 V55 V59 I63	L28-V33 HydrophobicContact CB-CG2 3.64Å; L28-V33 HydrophobicContact CD1-CG2 3.98Å; L28-V33 HydrophobicContact CG-CG2 4.47Å; T29-V33 WeakPolarHBondContact O-CG2 3.46Å; T29-V33 PolarHBondContact O-N 3.27Å; T29-V33 VanDerWaalsContact O-N 3.11Å; L30-V33 PolarHBondContact O-N 3.29Å; V33-P40 CarbonylContact O-C 3.55Å; V33-P40 WeakPolarHBondContact O-CA 3.41Å; V33-R41 WeakPolarHBondContact O-CB 3.35Å; V33-R41 PolarHBondContact O-N 3.5Å; V33-L45 HydrophobicContact CG1-CD1 4.36Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; V33-V59 HydrophobicContact CB-CG1 3.91Å; V33-V59 HydrophobicContact CG1-CG1 3.79Å; V33-V59 HydrophobicContact CG2-CG1 3.9Å; V33-I63 HydrophobicContact CG1-CD1 4.21Å
34	F	98.1	Very high	97	Very high	10 Å²	10	75.4 Å²	75.4	4%	0.044	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-113.3	137.9	179.8	-66.2	-87.9	0	0	0	111	L30 G38 E39 P40 V59 R62 I63	L30-F34 HydrophobicContact CD2-CD2 4.05Å; L30-F34 HydrophobicContact CD2-CE2 4.05Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.29Å; F34-G38 VanDerWaalsContact CD1-O 3.31Å; F34-G38 WeakPolarHBondContact CD1-O 3.5Å; F34-E39 WeakPolarHBondContact CA-O 3.28Å; F34-P40 HydrophobicContact CD1-CG 4.29Å; F34-P40 HydrophobicContact CE1-CB 4.46Å; F34-P40 HydrophobicContact CE1-CG 3.86Å; F34-V59 HydrophobicContact CE2-CG1 4.29Å; F34-R62 HydrophobicContact CE1-CG 4.42Å; F34-R62 HydrophobicContact CE2-CB 4.3Å; F34-R62 HydrophobicContact CE2-CG 3.97Å; F34-R62 HydrophobicContact CZ-CB 4.28Å; F34-R62 HydrophobicContact CZ-CG 3.71Å; F34-I63 HydrophobicContact CE2-CG1 4.24Å; F34-I63 HydrophobicContact CZ-CG1 3.68Å
35	D	96.3	Very high	97	Very high	43 Å²	43	73.3 Å²	73.3	23%	0.23	36%	0.357	C	S	.	.			trans	-78.7	-177.9	172.8	83	-8.5	0	0	0	112.3	K37 G38 E39 R41	D35-K37 PolarHBondContact O-N 2.98Å; D35-K37 WeakPolarHBondContact OD1-CA 3.43Å; D35-K37 WeakPolarHBondContact OD1-CB 3.23Å; D35-K37 PolarHBondContact OD1-N 3.03Å; D35-G38 PolarHBondContact O-N 3.07Å; D35-G38 PolarHBondContact OD1-N 3.34Å; D35-E39 PolarHBondContact N-O 2.92Å; D35-E39 PolarHBondContact OD1-N 3.11Å; D35-R41 HydrophobicContact CB-CG 4.49Å
36	I	94.9	Very high	97	Very high	173 Å²	173	70.2 Å²	70.2	89%	0.887	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.8	179.4	59.9	169.7	0	0	0	113.8	G38	I36-G38 VanDerWaalsContact C-N 3.35Å
37	K	93.7	Very high	97	Very high	156 Å²	156	70.8 Å²	70.8	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.4	175.6	-58.8	178.4	-178.7	175.1	0	111.7	D35 E39	D35-K37 PolarHBondContact O-N 2.98Å; D35-K37 WeakPolarHBondContact OD1-CA 3.43Å; D35-K37 WeakPolarHBondContact OD1-CB 3.23Å; D35-K37 PolarHBondContact OD1-N 3.03Å; K37-E39 HydrophobicContact CB-CG 4.3Å
38	G	94	Very high	97	Very high	24 Å²	24	67.2 Å²	67.2	25%	0.247	32%	0.319	C	S	.	.	S	Bend	trans	83.9	15.3	-174.8	0	0	0	0	0	113.5	F34 D35 I36	F34-G38 VanDerWaalsContact CD1-O 3.31Å; F34-G38 WeakPolarHBondContact CD1-O 3.5Å; D35-G38 PolarHBondContact O-N 3.07Å; D35-G38 PolarHBondContact OD1-N 3.34Å; I36-G38 VanDerWaalsContact C-N 3.35Å
39	E	95.9	Very high	97	Very high	85 Å²	85	66.4 Å²	66.4	40%	0.397	31%	0.314	S	S	.	.			trans	-85.3	138.2	176.1	-67.8	174.9	-178.7	0	0	110.5	F34 D35 K37 R41 L138	F34-E39 WeakPolarHBondContact CA-O 3.28Å; D35-E39 PolarHBondContact N-O 2.92Å; D35-E39 PolarHBondContact OD1-N 3.11Å; K37-E39 HydrophobicContact CB-CG 4.3Å; E39-R41 PolarHBondContact O-N 3.06Å; E39-L138 HydrophobicContact CB-CD1 4.15Å; E39-L138 HydrophobicContact CG-CD1 4.43Å
40	P	97.7	Very high	97	Very high	6 Å²	6	66.8 Å²	66.8	4%	0.039	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-65.5	131.5	175.5	-19.9	31.1	0	0	0	112.8	V33 F34 I42 A134 I137	V33-P40 CarbonylContact O-C 3.55Å; V33-P40 WeakPolarHBondContact O-CA 3.41Å; F34-P40 HydrophobicContact CD1-CG 4.29Å; F34-P40 HydrophobicContact CE1-CB 4.46Å; F34-P40 HydrophobicContact CE1-CG 3.86Å; P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 PolarHBondContact O-N 3.25Å; P40-A134 HydrophobicContact CB-CB 3.94Å; P40-A134 HydrophobicContact CG-CB 4.18Å; P40-I137 HydrophobicContact CG-CB 4.06Å; P40-I137 HydrophobicContact CG-CD1 4.37Å; P40-I137 HydrophobicContact CG-CG2 3.86Å
41	R	98	Very high	97	Very high	101 Å²	101	67.4 Å²	67.4	38%	0.381	32%	0.318	S	S	.	.			trans	-76	81.2	171.5	-72.7	-179	-175.5	-97.2	1.3	110.4	E32 V33 D35 E39 K43 E44 L45	E32-R41 WeakPolarHBondContact O-CD 3.47Å; V33-R41 WeakPolarHBondContact O-CB 3.35Å; V33-R41 PolarHBondContact O-N 3.5Å; D35-R41 HydrophobicContact CB-CG 4.49Å; E39-R41 PolarHBondContact O-N 3.06Å; R41-K43 VanDerWaalsContact C-N 3.27Å; R41-K43 PolarHBondContact O-N 3.46Å; R41-E44 HydrophobicContact CB-CB 4.16Å; R41-E44 HydrophobicContact CB-CG 4.26Å; R41-E44 WeakPolarHBondContact CB-OE2 3.17Å; R41-E44 IonicContact NH1-OE1 3.67Å; R41-E44 PolarHBondContact O-N 3.4Å; R41-L45 PolarHBondContact O-N 3.09Å
42	I	97.2	Very high	97.1	Very high	29 Å²	29	62.9 Å²	62.9	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-63	-29.2	-167.3	-161.9	64.9	0	0	0	114.2	P40 R46 Y131 A134 L135 L138	P40-I42 VanDerWaalsContact C-N 3.34Å; P40-I42 PolarHBondContact O-N 3.25Å; I42-R46 VanDerWaalsContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CB 3.37Å; I42-R46 PolarHBondContact O-N 2.98Å; I42-Y131 HydrophobicContact CD1-CD2 3.71Å; I42-Y131 HydrophobicContact CD1-CE2 3.29Å; I42-Y131 HydrophobicContact CG1-CE2 3.61Å; I42-A134 HydrophobicContact CD1-CB 3.89Å; I42-L135 HydrophobicContact CD1-CD2 3.82Å; I42-L135 HydrophobicContact CD1-CG 3.89Å; I42-L135 HydrophobicContact CG1-CD2 3.72Å; I42-L135 HydrophobicContact CG1-CG 4.33Å; I42-L138 HydrophobicContact CB-CD2 4.3Å; I42-L138 HydrophobicContact CG2-CD2 4.19Å
43	K	96.7	Very high	97.1	Very high	166 Å²	166	59.4 Å²	59.4	72%	0.722	28%	0.28	S	S	*	.	H	α-helix	trans	-72.6	-42.9	179.9	-67.1	-178.6	179.6	178.2	0	111.1	R41 R46 Q47	R41-K43 VanDerWaalsContact C-N 3.27Å; R41-K43 PolarHBondContact O-N 3.46Å; K43-R46 PolarHBondContact O-N 3.48Å; K43-Q47 WeakPolarHBondContact O-CB 3.47Å; K43-Q47 PolarHBondContact O-N 2.91Å
44	E	96.8	Very high	97.2	Very high	83 Å²	83	62.2 Å²	62.2	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-46.1	176.6	-66.2	85.7	152	0	0	110.1	R41 Q47 H48	R41-E44 HydrophobicContact CB-CB 4.16Å; R41-E44 HydrophobicContact CB-CG 4.26Å; R41-E44 WeakPolarHBondContact CB-OE2 3.17Å; R41-E44 IonicContact NH1-OE1 3.67Å; R41-E44 PolarHBondContact O-N 3.4Å; E44-Q47 PolarHBondContact O-N 3.41Å; E44-H48 WeakPolarHBondContact O-CB 3.47Å; E44-H48 PolarHBondContact O-N 3.5Å
45	L	97.5	Very high	97.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-46.9	175.9	-167.8	65.7	0	0	0	111.9	V33 R41 Q47 H48 F49 V55 I63 Y131 A134	V33-L45 HydrophobicContact CG1-CD1 4.36Å; R41-L45 PolarHBondContact O-N 3.09Å; L45-Q47 PolarHBondContact O-N 2.89Å; L45-H48 PolarHBondContact O-N 3.5Å; L45-F49 HydrophobicContact CD1-CD2 4.25Å; L45-F49 HydrophobicContact CD1-CE1 4.08Å; L45-F49 HydrophobicContact CD1-CE2 3.52Å; L45-F49 HydrophobicContact CD1-CZ 3.41Å; L45-F49 VanDerWaalsContact CD1-CZ 3.41Å; L45-F49 HydrophobicContact CD2-CE2 3.94Å; L45-F49 HydrophobicContact CG-CD2 3.96Å; L45-F49 HydrophobicContact CG-CE2 3.48Å; L45-F49 VanDerWaalsContact CG-CE2 3.48Å; L45-F49 HydrophobicContact CG-CZ 3.96Å; L45-F49 WeakPolarHBondContact O-CG 3.46Å; L45-F49 PolarHBondContact O-N 2.88Å; L45-V55 HydrophobicContact CD1-CG1 3.74Å; L45-I63 HydrophobicContact CD2-CD1 4.12Å; L45-Y131 HydrophobicContact CD2-CD2 4.33Å; L45-A134 HydrophobicContact CD2-CB 3.68Å
46	R	97.8	Very high	97.3	Very high	82 Å²	82	61.1 Å²	61.1	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-55.9	-52.4	175.8	174.9	173.5	176.4	-171.7	0.3	111.5	I42 K43 H48 F49 I50 M98 E102 Y131	I42-R46 VanDerWaalsContact O-CB 3.25Å; I42-R46 WeakPolarHBondContact O-CB 3.37Å; I42-R46 PolarHBondContact O-N 2.98Å; K43-R46 PolarHBondContact O-N 3.48Å; R46-H48 VanDerWaalsContact C-N 3.25Å; R46-H48 PolarHBondContact O-N 3Å; R46-F49 PolarHBondContact O-N 2.98Å; R46-I50 HydrophobicContact CG-CD1 3.74Å; R46-I50 HydrophobicContact CG-CG1 4.42Å; R46-I50 WeakPolarHBondContact O-CG1 3.46Å; R46-I50 PolarHBondContact O-N 3.35Å; R46-M98 HydrophobicContact CG-SD 3.67Å; R46-M98 PolarHBondContact NE-SD 2.69Å; R46-E102 IonicContact NH2-OE1 2.79Å; R46-Y131 HydrophobicContact CB-CE2 3.67Å; R46-Y131 HydrophobicContact CG-CE2 4.46Å
47	Q	97.6	Very high	97.5	Very high	106 Å²	106	55.5 Å²	55.5	50%	0.495	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-35.9	-175.5	-175.6	56	56.4	0	0	111.5	K43 E44 L45 L51	K43-Q47 WeakPolarHBondContact O-CB 3.47Å; K43-Q47 PolarHBondContact O-N 2.91Å; E44-Q47 PolarHBondContact O-N 3.41Å; L45-Q47 PolarHBondContact O-N 2.89Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.33Å
48	H	98.4	Very high	97.7	Very high	19 Å²	19	53.9 Å²	53.9	9%	0.088	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-46.1	177.4	-162.8	64.1	0	0	0	112.2	H26 L28 E44 L45 R46 L51 E52 G53 R54	H26-H48 PolarHBondContact O-CE1 3.32Å; L28-H48 HydrophobicContact CD1-CB 3.65Å; L28-H48 HydrophobicContact CG-CB 4.43Å; E44-H48 WeakPolarHBondContact O-CB 3.47Å; E44-H48 PolarHBondContact O-N 3.5Å; L45-H48 PolarHBondContact O-N 3.5Å; R46-H48 VanDerWaalsContact C-N 3.25Å; R46-H48 PolarHBondContact O-N 3Å; H48-L51 CarbonylContact O-C 3.09Å; H48-L51 PolarHBondContact O-N 3.23Å; H48-L51 VanDerWaalsContact O-N 3.15Å; H48-E52 PolarHBondContact O-N 2.92Å; H48-G53 VanDerWaalsContact NE2-C 3.27Å; H48-G53 WeakPolarHBondContact NE2-CA 3.41Å; H48-G53 WeakPolarHBondContact O-CA 3.47Å; H48-G53 PolarHBondContact O-N 2.89Å; H48-R54 PolarHBondContact CD2-O 2.76Å; H48-R54 PolarHBondContact NE2-N 2.95Å; H48-R54 VanDerWaalsContact NE2-N 3.2Å; H48-R54 PolarHBondContact NE2-O 3.23Å
49	F	98.5	Very high	97.9	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-69.1	-34	178.8	-67.3	-24.7	0	0	0	113.6	L45 R46 L51 E52 G53 V55 F94 E127 L130	L45-F49 HydrophobicContact CD1-CD2 4.25Å; L45-F49 HydrophobicContact CD1-CE1 4.08Å; L45-F49 HydrophobicContact CD1-CE2 3.52Å; L45-F49 HydrophobicContact CD1-CZ 3.41Å; L45-F49 VanDerWaalsContact CD1-CZ 3.41Å; L45-F49 HydrophobicContact CD2-CE2 3.94Å; L45-F49 HydrophobicContact CG-CD2 3.96Å; L45-F49 HydrophobicContact CG-CE2 3.48Å; L45-F49 VanDerWaalsContact CG-CE2 3.48Å; L45-F49 HydrophobicContact CG-CZ 3.96Å; L45-F49 WeakPolarHBondContact O-CG 3.46Å; L45-F49 PolarHBondContact O-N 2.88Å; R46-F49 PolarHBondContact O-N 2.98Å; F49-L51 PolarHBondContact O-N 3.3Å; F49-E52 PolarHBondContact O-N 3.02Å; F49-G53 VanDerWaalsContact CD1-O 3.31Å; F49-G53 WeakPolarHBondContact CD1-O 3.27Å; F49-V55 HydrophobicContact CE1-CG1 4Å; F49-V55 HydrophobicContact CZ-CG1 4.13Å; F49-F94 HydrophobicContact CB-CD1 4.33Å; F49-F94 HydrophobicContact CB-CE1 3.46Å; F49-F94 VanDerWaalsContact CB-CE1 3.46Å; F49-F94 HydrophobicContact CB-CE2 4.29Å; F49-F94 HydrophobicContact CB-CZ 3.43Å; F49-F94 VanDerWaalsContact CB-CZ 3.43Å; F49-F94 HydrophobicContact CD2-CE2 4.22Å; F49-F94 HydrophobicContact CD2-CZ 4.02Å; F49-F94 HydrophobicContact CG-CZ 4.23Å; F49-E127 HydrophobicContact CB-CB 4.32Å; F49-E127 HydrophobicContact CB-CG 4.13Å; F49-E127 HydrophobicContact CD1-CG 3.97Å; F49-E127 HydrophobicContact CD2-CB 4.21Å; F49-E127 HydrophobicContact CD2-CG 4.44Å; F49-E127 HydrophobicContact CE1-CG 4.48Å; F49-E127 HydrophobicContact CG-CB 4.17Å; F49-E127 HydrophobicContact CG-CG 3.96Å; F49-L130 HydrophobicContact CE1-CD1 4.4Å; F49-L130 HydrophobicContact CE2-CB 3.78Å; F49-L130 HydrophobicContact CE2-CD1 4.49Å; F49-L130 HydrophobicContact CZ-CB 3.81Å; F49-L130 HydrophobicContact CZ-CD1 3.71Å; F49-L130 HydrophobicContact CZ-CG 4.43Å
50	I	97.9	Very high	98.1	Very high	53 Å²	53	48.7 Å²	48.7	27%	0.272	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-28.9	171.9	-73.9	172.8	0	0	0	111.4	R46 E52 F94 F95 M98	R46-I50 HydrophobicContact CG-CD1 3.74Å; R46-I50 HydrophobicContact CG-CG1 4.42Å; R46-I50 WeakPolarHBondContact O-CG1 3.46Å; R46-I50 PolarHBondContact O-N 3.35Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-F94 HydrophobicContact CG1-CE1 4.16Å; I50-F95 WeakPolarHBondContact O-CE1 3.46Å; I50-M98 HydrophobicContact CD1-CG 4.13Å; I50-M98 HydrophobicContact CD1-SD 4.38Å; I50-M98 HydrophobicContact CG1-CG 4.16Å
51	L	97.9	Very high	98.1	Very high	65 Å²	65	49 Å²	49	34%	0.34	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	11.5	176	-62.3	173.6	0	0	0	112.8	P23 P24 Q47 H48 F49 G53	P23-L51 WeakPolarHBondContact CA-O 3.16Å; P24-L51 WeakPolarHBondContact CD-O 3.22Å; P24-L51 HydrophobicContact CG-CB 3.93Å; P24-L51 HydrophobicContact CG-CD1 4.46Å; Q47-L51 WeakPolarHBondContact O-CG 3.48Å; Q47-L51 PolarHBondContact O-N 3.33Å; H48-L51 CarbonylContact O-C 3.09Å; H48-L51 PolarHBondContact O-N 3.23Å; H48-L51 VanDerWaalsContact O-N 3.15Å; F49-L51 PolarHBondContact O-N 3.3Å; L51-G53 PolarHBondContact O-N 3.25Å
52	E	98.5	Very high	98.1	Very high	45 Å²	45	48.7 Å²	48.7	21%	0.21	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	19.4	-174.3	-52.2	179.7	88.1	0	0	114.4	P23 H48 F49 I50 F124 P339 W341	P23-E52 HydrophobicContact CB-CB 4.09Å; P23-E52 HydrophobicContact CG-CB 4.19Å; H48-E52 PolarHBondContact O-N 2.92Å; F49-E52 PolarHBondContact O-N 3.02Å; I50-E52 VanDerWaalsContact C-N 3.33Å; E52-F124 HydrophobicContact CG-CE1 4.42Å; E52-P339 HydrophobicContact CG-CB 4.11Å; E52-P339 HydrophobicContact CG-CG 3.6Å; E52-P339 WeakPolarHBondContact OE1-CB 3.46Å; E52-P339 VanDerWaalsContact OE2-CB 3.3Å; E52-P339 WeakPolarHBondContact OE2-CB 3.49Å; E52-P339 WeakPolarHBondContact OE2-CG 3.46Å; E52-W341 PolarHBondContact OE1-NE1 2.87Å
53	G	98.3	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	21%	0.213	C	C	.	.			trans	-67.6	147.9	175.2	0	0	0	0	0	111.3	H48 F49 L51	H48-G53 VanDerWaalsContact NE2-C 3.27Å; H48-G53 WeakPolarHBondContact NE2-CA 3.41Å; H48-G53 WeakPolarHBondContact O-CA 3.47Å; H48-G53 PolarHBondContact O-N 2.89Å; F49-G53 VanDerWaalsContact CD1-O 3.31Å; F49-G53 WeakPolarHBondContact CD1-O 3.27Å; L51-G53 PolarHBondContact O-N 3.25Å
54	R	98.7	Very high	98.3	Very high	60 Å²	60	39.4 Å²	39.4	23%	0.226	18%	0.179	C	C	.	.			trans	-107	152.8	177	-61	175.8	-172.8	-178.9	1	110.5	R27 L28 H48 I167 K168	R27-R54 WeakPolarHBondContact CA-O 3.35Å; R27-R54 HydrophobicContact CG-CB 4.28Å; L28-R54 PolarHBondContact N-O 3.01Å; H48-R54 PolarHBondContact CD2-O 2.76Å; H48-R54 PolarHBondContact NE2-N 2.95Å; H48-R54 VanDerWaalsContact NE2-N 3.2Å; H48-R54 PolarHBondContact NE2-O 3.23Å; R54-I167 PolarHBondContact NH1-O 3.44Å; R54-K168 WeakPolarHBondContact CD-O 3.48Å; R54-K168 PolarHBondContact NH1-O 3.05Å
55	V	98.7	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-91	166.9	167.8	-58	0	0	0	0	110.3	R27 L28 V33 L45 F49 V59 A60 L130 Y169	R27-V55 PolarHBondContact NH1-O 3.43Å; L28-V55 HydrophobicContact CB-CG1 4.2Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; L45-V55 HydrophobicContact CD1-CG1 3.74Å; F49-V55 HydrophobicContact CE1-CG1 4Å; F49-V55 HydrophobicContact CZ-CG1 4.13Å; V55-V59 HydrophobicContact CB-CB 3.89Å; V55-V59 HydrophobicContact CB-CG1 3.7Å; V55-V59 HydrophobicContact CG1-CG1 4.04Å; V55-V59 HydrophobicContact CG2-CB 3.98Å; V55-V59 HydrophobicContact CG2-CG1 3.79Å; V55-A60 HydrophobicContact CG2-CB 3.95Å; V55-L130 HydrophobicContact CG2-CD1 4.12Å; V55-Y169 HydrophobicContact CG2-CE1 3.84Å; V55-Y169 PolarHBondContact N-OH 3.26Å; V55-Y169 WeakPolarHBondContact O-CE1 3.35Å
56	T	98.7	Very high	98.4	Very high	29 Å²	29	43.5 Å²	43.5	18%	0.178	20%	0.198	C	C	.	.			trans	-65.7	156.6	168.5	65.8	0	0	0	0	110.5	R27 L28 Q58 V59 A60	R27-T56 HydrophobicContact CB-CG2 3.95Å; L28-T56 WeakPolarHBondContact O-CG2 3.31Å; L28-T56 PolarHBondContact O-N 3.01Å; T56-Q58 PolarHBondContact O-N 2.91Å; T56-Q58 PolarHBondContact OG1-OE1 3.2Å; T56-V59 WeakPolarHBondContact O-CB 3.4Å; T56-V59 PolarHBondContact O-N 3.19Å; T56-V59 VanDerWaalsContact O-N 3.12Å; T56-V59 WeakPolarHBondContact OG1-CG2 3.2Å; T56-V59 PolarHBondContact OG1-N 3.04Å; T56-A60 PolarHBondContact O-N 2.95Å
57	E	98.4	Very high	98.5	Very high	56 Å²	56	39.6 Å²	39.6	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-59.5	-37.7	178.3	180	170	-166.2	0	0	111.9	V59 A60 L61 T170 V173	E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.31Å; E57-A60 PolarHBondContact O-N 2.77Å; E57-L61 HydrophobicContact CG-CD1 3.81Å; E57-L61 HydrophobicContact CG-CG 4.24Å; E57-L61 WeakPolarHBondContact O-CB 3.42Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.17Å; E57-L61 PolarHBondContact O-N 3.17Å; E57-T170 VanDerWaalsContact CD-CG2 3.43Å; E57-T170 WeakPolarHBondContact OE1-CB 3.4Å; E57-T170 WeakPolarHBondContact OE1-CG2 3.44Å; E57-T170 PolarHBondContact OE1-OG1 3.19Å; E57-T170 VanDerWaalsContact OE2-CG2 3.28Å; E57-T170 WeakPolarHBondContact OE2-CG2 3.38Å; E57-V173 HydrophobicContact CG-CG2 4Å
58	Q	98.4	Very high	98.5	Very high	122 Å²	122	34.9 Å²	34.9	57%	0.57	16%	0.163	S	C	*	.	H	α-helix	trans	-61	-39	176	-62	82.7	4	0	0	112.2	L30 T56 R62	L30-Q58 HydrophobicContact CD1-CB 4.37Å; T56-Q58 PolarHBondContact O-N 2.91Å; T56-Q58 PolarHBondContact OG1-OE1 3.2Å; Q58-R62 VanDerWaalsContact O-CB 3.28Å; Q58-R62 WeakPolarHBondContact O-CB 3.29Å; Q58-R62 PolarHBondContact O-N 2.78Å
59	V	98.7	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-48.2	175.5	172.3	0	0	0	0	110.7	T29 L30 V33 F34 V55 T56 E57 L61 R62 I63	T29-V59 WeakPolarHBondContact O-CG2 3.4Å; L30-V59 HydrophobicContact CB-CG2 4.42Å; L30-V59 HydrophobicContact CD2-CB 4.47Å; L30-V59 HydrophobicContact CD2-CG2 3.8Å; L30-V59 HydrophobicContact CG-CG2 3.94Å; V33-V59 HydrophobicContact CB-CG1 3.91Å; V33-V59 HydrophobicContact CG1-CG1 3.79Å; V33-V59 HydrophobicContact CG2-CG1 3.9Å; F34-V59 HydrophobicContact CE2-CG1 4.29Å; V55-V59 HydrophobicContact CB-CB 3.89Å; V55-V59 HydrophobicContact CB-CG1 3.7Å; V55-V59 HydrophobicContact CG1-CG1 4.04Å; V55-V59 HydrophobicContact CG2-CB 3.98Å; V55-V59 HydrophobicContact CG2-CG1 3.79Å; T56-V59 WeakPolarHBondContact O-CB 3.4Å; T56-V59 PolarHBondContact O-N 3.19Å; T56-V59 VanDerWaalsContact O-N 3.12Å; T56-V59 WeakPolarHBondContact OG1-CG2 3.2Å; T56-V59 PolarHBondContact OG1-N 3.04Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.31Å; V59-L61 PolarHBondContact O-N 3.19Å; V59-R62 PolarHBondContact O-N 2.94Å; V59-I63 HydrophobicContact CG1-CD1 3.96Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.39Å; V59-I63 PolarHBondContact O-N 2.71Å
60	A	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-51.2	179.7	0	0	0	0	0	111.1	V55 T56 E57 R62 I63 I64 L130 Y169 V173	V55-A60 HydrophobicContact CG2-CB 3.95Å; T56-A60 PolarHBondContact O-N 2.95Å; E57-A60 PolarHBondContact O-N 2.77Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.26Å; A60-I63 PolarHBondContact O-N 3.32Å; A60-I64 WeakPolarHBondContact O-CD1 3.47Å; A60-I64 VanDerWaalsContact O-CG1 3.26Å; A60-I64 WeakPolarHBondContact O-CG1 3.44Å; A60-I64 PolarHBondContact O-N 3.15Å; A60-L130 HydrophobicContact CB-CD1 4.28Å; A60-L130 HydrophobicContact CB-CD2 4.01Å; A60-Y169 HydrophobicContact CB-CD1 4.12Å; A60-Y169 HydrophobicContact CB-CE1 3.95Å; A60-V173 HydrophobicContact CB-CG2 4.22Å
61	L	98.8	Very high	98.6	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.063	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-38.9	177.6	-69.2	171.6	0	0	0	112.3	E57 V59 R65 E172 V173 A176	E57-L61 HydrophobicContact CG-CD1 3.81Å; E57-L61 HydrophobicContact CG-CG 4.24Å; E57-L61 WeakPolarHBondContact O-CB 3.42Å; E57-L61 VanDerWaalsContact O-CG 3.31Å; E57-L61 WeakPolarHBondContact O-CG 3.17Å; E57-L61 PolarHBondContact O-N 3.17Å; V59-L61 PolarHBondContact O-N 3.19Å; L61-R65 VanDerWaalsContact O-CB 3.24Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.23Å; L61-R65 WeakPolarHBondContact O-CG 3.33Å; L61-R65 PolarHBondContact O-N 3.4Å; L61-E172 HydrophobicContact CD1-CG 4.3Å; L61-E172 WeakPolarHBondContact CD1-OE1 3.37Å; L61-E172 HydrophobicContact CD2-CG 4.12Å; L61-V173 HydrophobicContact CD2-CG2 4.05Å; L61-V173 HydrophobicContact CG-CG2 4.16Å; L61-A176 HydrophobicContact CD2-CB 3.64Å
62	R	98.6	Very high	98.6	Very high	94 Å²	94	39.2 Å²	39.2	36%	0.355	18%	0.184	S	C	.	.	H	α-helix	trans	-63.3	-48.5	176.1	-178.7	174.7	172.5	178.8	-3.5	111.5	L30 F34 Q58 V59 A60 I64 S66	L30-R62 HydrophobicContact CD2-CB 4.27Å; F34-R62 HydrophobicContact CE1-CG 4.42Å; F34-R62 HydrophobicContact CE2-CB 4.3Å; F34-R62 HydrophobicContact CE2-CG 3.97Å; F34-R62 HydrophobicContact CZ-CB 4.28Å; F34-R62 HydrophobicContact CZ-CG 3.71Å; Q58-R62 VanDerWaalsContact O-CB 3.28Å; Q58-R62 WeakPolarHBondContact O-CB 3.29Å; Q58-R62 PolarHBondContact O-N 2.78Å; V59-R62 PolarHBondContact O-N 2.94Å; A60-R62 VanDerWaalsContact C-N 3.32Å; A60-R62 PolarHBondContact O-N 3.26Å; R62-I64 PolarHBondContact O-N 2.96Å; R62-S66 WeakPolarHBondContact O-CB 3.25Å; R62-S66 PolarHBondContact O-N 2.9Å; R62-S66 PolarHBondContact O-OG 2.93Å; R62-S66 VanDerWaalsContact O-OG 3.07Å
63	I	98.8	Very high	98.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-49.5	177.7	-69.2	173.2	0	0	0	110.4	V33 F34 L45 V59 A60 G67 L130 W133 A134 I137	V33-I63 HydrophobicContact CG1-CD1 4.21Å; F34-I63 HydrophobicContact CE2-CG1 4.24Å; F34-I63 HydrophobicContact CZ-CG1 3.68Å; L45-I63 HydrophobicContact CD2-CD1 4.12Å; V59-I63 HydrophobicContact CG1-CD1 3.96Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.39Å; V59-I63 PolarHBondContact O-N 2.71Å; A60-I63 PolarHBondContact O-N 3.32Å; I63-G67 PolarHBondContact O-N 3.41Å; I63-L130 HydrophobicContact CB-CD2 4.17Å; I63-L130 HydrophobicContact CG2-CD2 4.11Å; I63-L130 WeakPolarHBondContact CG2-O 3.16Å; I63-W133 HydrophobicContact CG2-CB 3.64Å; I63-A134 HydrophobicContact CG2-CB 4.41Å; I63-I137 HydrophobicContact CG2-CD1 4.44Å
64	I	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-51.6	-177.4	-66.2	160.1	0	0	0	110.8	A60 R62 G67 A68 L130 V173 A176 C177 A180	A60-I64 WeakPolarHBondContact O-CD1 3.47Å; A60-I64 VanDerWaalsContact O-CG1 3.26Å; A60-I64 WeakPolarHBondContact O-CG1 3.44Å; A60-I64 PolarHBondContact O-N 3.15Å; R62-I64 PolarHBondContact O-N 2.96Å; I64-G67 PolarHBondContact O-N 3.33Å; I64-A68 VanDerWaalsContact O-CB 3.3Å; I64-A68 WeakPolarHBondContact O-CB 3.13Å; I64-A68 PolarHBondContact O-N 3.31Å; I64-L130 HydrophobicContact CD1-CD2 4.03Å; I64-L130 HydrophobicContact CG1-CD2 3.89Å; I64-V173 HydrophobicContact CD1-CG1 3.78Å; I64-A176 HydrophobicContact CG2-CB 3.96Å; I64-A176 VanDerWaalsContact CG2-O 3.26Å; I64-A176 WeakPolarHBondContact CG2-O 3.39Å; I64-C177 VanDerWaalsContact CD1-SG 3.5Å; I64-A180 HydrophobicContact CG2-CB 3.77Å
65	R	98.7	Very high	98.6	Very high	123 Å²	123	47.5 Å²	47.5	46%	0.464	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-38.2	-177.9	-68.7	172.2	177.5	151.4	4.4	112.3	L61 A68 A69 E172	L61-R65 VanDerWaalsContact O-CB 3.24Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 VanDerWaalsContact O-CG 3.23Å; L61-R65 WeakPolarHBondContact O-CG 3.33Å; L61-R65 PolarHBondContact O-N 3.4Å; R65-A68 PolarHBondContact O-N 3.27Å; R65-A69 PolarHBondContact O-N 3.15Å; R65-E172 IonicContact CZ-OE1 3.9Å; R65-E172 IonicContact NH1-OE1 3.89Å; R65-E172 IonicContact NH2-OE1 3.84Å; R65-E172 PolarHBondContact NH2-OE1 3.49Å
66	S	98.4	Very high	98.6	Very high	47 Å²	47	48.1 Å²	48.1	33%	0.329	24%	0.237	S	C	.	.	H	α-helix	trans	-67.4	-41.8	176.1	-71	0	0	0	0	112.3	R62 A69 L70	R62-S66 WeakPolarHBondContact O-CB 3.25Å; R62-S66 PolarHBondContact O-N 2.9Å; R62-S66 PolarHBondContact O-OG 2.93Å; R62-S66 VanDerWaalsContact O-OG 3.07Å; S66-A69 PolarHBondContact O-N 3.48Å; S66-L70 PolarHBondContact O-N 2.92Å
67	G	98.7	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-39.4	173.9	0	0	0	0	0	112.3	I63 I64 A69 L70 L71	I63-G67 PolarHBondContact O-N 3.41Å; I64-G67 PolarHBondContact O-N 3.33Å; G67-A69 VanDerWaalsContact C-N 3.3Å; G67-A69 PolarHBondContact O-N 3.26Å; G67-L70 PolarHBondContact O-N 3.12Å; G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 2.77Å
68	A	98.7	Very high	98.6	Very high	7 Å²	7	44.6 Å²	44.6	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-39.4	174.7	0	0	0	0	0	112.7	I64 R65 L71 R72 A180	I64-A68 VanDerWaalsContact O-CB 3.3Å; I64-A68 WeakPolarHBondContact O-CB 3.13Å; I64-A68 PolarHBondContact O-N 3.31Å; R65-A68 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 3.38Å; A68-R72 VanDerWaalsContact O-CB 3.29Å; A68-R72 WeakPolarHBondContact O-CB 3.18Å; A68-R72 PolarHBondContact O-N 3.43Å; A68-A180 HydrophobicContact CB-CB 3.69Å
69	A	98.6	Very high	98.6	Very high	46 Å²	46	42.5 Å²	42.5	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-44.6	175.8	0	0	0	0	0	111.7	R65 S66 G67 R72 D73	R65-A69 PolarHBondContact O-N 3.15Å; S66-A69 PolarHBondContact O-N 3.48Å; G67-A69 VanDerWaalsContact C-N 3.3Å; G67-A69 PolarHBondContact O-N 3.26Å; A69-R72 PolarHBondContact O-N 3.44Å; A69-D73 PolarHBondContact O-N 2.84Å
70	L	98.5	Very high	98.6	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.277	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-45.5	176	-66	170.9	0	0	0	112.1	S66 G67 R72 D73 E74 K136 I137 P140	S66-L70 PolarHBondContact O-N 2.92Å; G67-L70 PolarHBondContact O-N 3.12Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 2.83Å; L70-D73 PolarHBondContact O-N 3.27Å; L70-E74 PolarHBondContact O-N 2.96Å; L70-K136 HydrophobicContact CD1-CG 4.4Å; L70-I137 HydrophobicContact CD1-CB 4.44Å; L70-I137 HydrophobicContact CD1-CG1 4.18Å; L70-P140 HydrophobicContact CD1-CB 4.22Å; L70-P140 HydrophobicContact CD2-CB 4.35Å
71	L	98.7	Very high	98.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-32.7	179.1	-67.3	168.7	0	0	0	112.4	G67 A68 D73 E74 W133 K136 L145 C183 L184 R216	G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 2.77Å; A68-L71 PolarHBondContact O-N 3.38Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-E74 PolarHBondContact O-N 2.91Å; L71-W133 HydrophobicContact CD1-CZ2 3.84Å; L71-K136 HydrophobicContact CD2-CG 4.48Å; L71-L145 HydrophobicContact CD2-CB 4.34Å; L71-C183 HydrophobicContact CB-CB 3.91Å; L71-C183 VanDerWaalsContact O-O 3.12Å; L71-L184 HydrophobicContact CD1-CD2 3.69Å; L71-L184 HydrophobicContact CD1-CG 4.23Å; L71-L184 HydrophobicContact CD2-CD2 4.02Å; L71-L184 HydrophobicContact CG-CD2 4.47Å; L71-R216 PolarHBondContact O-NH2 2.85Å
72	R	98.5	Very high	98.4	Very high	130 Å²	130	48.5 Å²	48.5	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-35.4	176.3	-175.4	-179.6	-62.5	164.4	0.9	112.2	A68 A69 L70 E74 C183 Y217	A68-R72 VanDerWaalsContact O-CB 3.29Å; A68-R72 WeakPolarHBondContact O-CB 3.18Å; A68-R72 PolarHBondContact O-N 3.43Å; A69-R72 PolarHBondContact O-N 3.44Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 2.83Å; R72-E74 PolarHBondContact O-N 2.92Å; R72-C183 HydrophobicContact CB-CB 4.27Å; R72-Y217 HydrophobicContact CG-CE1 4.21Å; R72-Y217 PolarHBondContact O-OH 3.33Å; R72-Y217 VanDerWaalsContact O-OH 3.1Å
73	D	97.9	Very high	98.4	Very high	137 Å²	137	47 Å²	47	73%	0.733	25%	0.251	S	S	*	.	H	α-helix	trans	-77.6	-11.4	179.6	-68.4	-14.9	0	0	0	112.6	A69 L70 L71	A69-D73 PolarHBondContact O-N 2.84Å; L70-D73 PolarHBondContact O-N 3.27Å; L71-D73 VanDerWaalsContact C-N 3.33Å
74	E	98.4	Very high	98.4	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.136	25%	0.252	C	S	.	.	S	Bend	trans	-80.4	156.1	176.8	-70.1	-175.4	137.2	0	0	113.4	L70 L71 R72 L78 K136 P185 R216	L70-E74 PolarHBondContact O-N 2.96Å; L71-E74 PolarHBondContact O-N 2.91Å; R72-E74 PolarHBondContact O-N 2.92Å; E74-L78 HydrophobicContact CB-CD2 3.8Å; E74-L78 HydrophobicContact CG-CD2 4.19Å; E74-K136 VanDerWaalsContact CD-NZ 3.3Å; E74-K136 IonicContact OE1-NZ 3.92Å; E74-K136 PolarHBondContact OE1-NZ 3.05Å; E74-K136 IonicContact OE2-NZ 3.57Å; E74-K136 PolarHBondContact OE2-NZ 3.28Å; E74-P185 HydrophobicContact CB-CG 4.09Å; E74-R216 PolarHBondContact O-NH1 3.02Å; E74-R216 PolarHBondContact O-NH2 2.99Å
75	N	98.4	Very high	98.4	Very high	112 Å²	112	47.3 Å²	47.3	60%	0.599	25%	0.253	S	S	*	.			trans	-73	155.7	174.4	-69.5	-35	0	0	0	111.6	V77	N75-V77 VanDerWaalsContact CB-O 3.3Å; N75-V77 WeakPolarHBondContact CB-O 3.39Å; N75-V77 PolarHBondContact O-N 3.47Å
76	T	98.7	Very high	98.4	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.086	23%	0.231	C	C	.	.	S	Bend	trans	-63	-32.4	175.9	-59.8	0	0	0	0	111.9	L186 A187 I211 R216	T76-L186 HydrophobicContact CG2-CB 3.98Å; T76-L186 HydrophobicContact CG2-CD1 3.86Å; T76-L186 HydrophobicContact CG2-CG 3.9Å; T76-L186 PolarHBondContact O-N 3.49Å; T76-A187 PolarHBondContact O-N 2.7Å; T76-A187 VanDerWaalsContact O-N 3.15Å; T76-I211 HydrophobicContact CG2-CG2 4.39Å; T76-I211 WeakPolarHBondContact CG2-O 3.29Å; T76-R216 HydrophobicContact CG2-CB 4.43Å; T76-R216 PolarHBondContact OG1-NH1 2.82Å
77	V	98.8	Very high	98.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.5	168.7	-173.9	0	0	0	0	107.8	N75 A187 L189 I211 R212	N75-V77 VanDerWaalsContact CB-O 3.3Å; N75-V77 WeakPolarHBondContact CB-O 3.39Å; N75-V77 PolarHBondContact O-N 3.47Å; V77-A187 CarbonylContact C-O 3.07Å; V77-A187 WeakPolarHBondContact CA-O 3.44Å; V77-A187 HydrophobicContact CG1-CB 4.4Å; V77-A187 HydrophobicContact CG2-CB 4.3Å; V77-L189 HydrophobicContact CG1-CB 4.27Å; V77-I211 HydrophobicContact CG2-CB 3.71Å; V77-I211 HydrophobicContact CG2-CG2 3.48Å; V77-I211 VanDerWaalsContact CG2-CG2 3.48Å; V77-R212 HydrophobicContact CB-CG 4.06Å; V77-R212 HydrophobicContact CG2-CG 3.65Å
78	L	98.7	Very high	98.4	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.9	176.2	-58.3	176.3	0	0	0	110.7	E74 I80 Y144 L146 P185 A187 A188 L189	E74-L78 HydrophobicContact CB-CD2 3.8Å; E74-L78 HydrophobicContact CG-CD2 4.19Å; L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 HydrophobicContact CB-CG1 4.01Å; L78-I80 HydrophobicContact CD1-CD1 4.19Å; L78-Y144 HydrophobicContact CD1-CD1 3.84Å; L78-Y144 HydrophobicContact CD1-CG 4.19Å; L78-L146 HydrophobicContact CD1-CD2 3.79Å; L78-L146 HydrophobicContact CG-CD2 4.42Å; L78-P185 HydrophobicContact CD1-CB 4.06Å; L78-P185 HydrophobicContact CD1-CG 4.05Å; L78-P185 HydrophobicContact CD2-CB 4.1Å; L78-P185 HydrophobicContact CD2-CG 3.77Å; L78-P185 HydrophobicContact CG-CB 3.83Å; L78-P185 HydrophobicContact CG-CG 3.98Å; L78-A187 PolarHBondContact N-O 3.18Å; L78-A188 HydrophobicContact CB-CB 3.9Å; L78-A188 CarbonylContact O-C 3.41Å; L78-A188 VanDerWaalsContact O-CA 3.29Å; L78-A188 WeakPolarHBondContact O-CA 3.46Å; L78-L189 PolarHBondContact O-N 3.38Å
79	D	98.5	Very high	98.4	Very high	79 Å²	79	39 Å²	39	42%	0.422	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.2	168.1	-69.9	-79.2	0	0	0	108.7	Q192	D79-Q192 PolarHBondContact OD1-NE2 3.48Å; D79-Q192 VanDerWaalsContact OD1-NE2 3.14Å
80	I	98.4	Very high	98.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	120	-170.4	-57.7	179.5	0	0	0	110.6	L78 V84 R111 L113 Y144 A188 L189 M190 N191	L78-I80 HydrophobicContact CB-CD1 4.07Å; L78-I80 HydrophobicContact CB-CG1 4.01Å; L78-I80 HydrophobicContact CD1-CD1 4.19Å; I80-V84 HydrophobicContact CG2-CG2 4.27Å; I80-R111 HydrophobicContact CG2-CG 4.45Å; I80-L113 HydrophobicContact CD1-CB 4.36Å; I80-L113 HydrophobicContact CD1-CD1 3.74Å; I80-L113 HydrophobicContact CD1-CD2 4.17Å; I80-L113 HydrophobicContact CD1-CG 4.3Å; I80-Y144 HydrophobicContact CD1-CD1 4.15Å; I80-Y144 HydrophobicContact CD1-CD2 3.55Å; I80-Y144 HydrophobicContact CD1-CE2 4.08Å; I80-Y144 HydrophobicContact CD1-CG 3.58Å; I80-Y144 HydrophobicContact CG1-CD1 4.44Å; I80-Y144 HydrophobicContact CG1-CD2 4Å; I80-Y144 HydrophobicContact CG1-CE1 4.41Å; I80-Y144 HydrophobicContact CG1-CE2 3.98Å; I80-Y144 HydrophobicContact CG1-CG 4.21Å; I80-Y144 HydrophobicContact CG2-CD2 4.14Å; I80-Y144 HydrophobicContact CG2-CE2 3.91Å; I80-A188 HydrophobicContact CD1-CB 3.69Å; I80-A188 HydrophobicContact CG1-CB 4.32Å; I80-L189 PolarHBondContact N-O 2.87Å; I80-M190 CarbonylContact O-C 3.15Å; I80-M190 WeakPolarHBondContact O-CA 3.41Å; I80-N191 PolarHBondContact O-N 2.94Å
81	D	97.5	Very high	98.4	Very high	103 Å²	103	34.6 Å²	34.6	55%	0.551	18%	0.183	S	C	*	.	P	Polyproline II helix	trans	-83	153.6	176.9	-65.5	-39.6	0	0	0	113.3	R111	D81-R111 WeakPolarHBondContact O-CD 3.48Å; D81-R111 PolarHBondContact O-NH1 2.85Å
82	A	96.4	Very high	98.4	Very high	32 Å²	32	34.6 Å²	34.6	26%	0.264	18%	0.183	S	C	.	.	S	Bend	trans	-70.2	154.5	166.6	0	0	0	0	0	111.6	N191 Y323	A82-N191 HydrophobicContact CB-CB 4.37Å; A82-Y323 HydrophobicContact CB-CD1 3.66Å; A82-Y323 HydrophobicContact CB-CE1 3.81Å
83	P	97.6	Very high	98.4	Very high	64 Å²	64	29.3 Å²	29.3	42%	0.416	16%	0.164	S	C	.	.	S	Bend	cis	-73.6	153.6	-3.7	31.3	-35.8	0	0	0	112.5	R111 Y323 E324	P83-R111 WeakPolarHBondContact O-CB 3.34Å; P83-R111 PolarHBondContact O-NH1 3.23Å; P83-Y323 CarbonylContact C-O 3.52Å; P83-Y323 WeakPolarHBondContact CA-O 3.46Å; P83-E324 HydrophobicContact CB-CB 3.86Å; P83-E324 HydrophobicContact CB-CG 3.91Å
84	V	98.5	Very high	98.5	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144	177.8	61.5	0	0	0	0	111.4	I80 V86 R111 L113 M190 Y323	I80-V84 HydrophobicContact CG2-CG2 4.27Å; V84-V86 HydrophobicContact CG1-CG2 4.25Å; V84-V86 HydrophobicContact CG2-CG2 4.34Å; V84-R111 HydrophobicContact CB-CG 4.36Å; V84-R111 HydrophobicContact CG2-CG 4.15Å; V84-L113 HydrophobicContact CG2-CB 3.98Å; V84-M190 HydrophobicContact CG1-CE 4.28Å; V84-M190 HydrophobicContact CG1-CG 3.65Å; V84-M190 HydrophobicContact CG1-SD 3.78Å; V84-Y323 PolarHBondContact N-O 2.88Å; V84-Y323 PolarHBondContact O-N 3.3Å
85	T	98.8	Very high	98.5	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.1	167.6	-59.2	0	0	0	0	109	R111 Y112 L113 I320 L321 K322	T85-R111 PolarHBondContact N-O 3.19Å; T85-Y112 HydrophobicContact CG2-CD1 3.96Å; T85-Y112 HydrophobicContact CG2-CE1 3.52Å; T85-Y112 WeakPolarHBondContact O-CA 3.38Å; T85-L113 PolarHBondContact O-N 3.29Å; T85-I320 HydrophobicContact CG2-CB 4.07Å; T85-I320 HydrophobicContact CG2-CD1 3.79Å; T85-I320 HydrophobicContact CG2-CG1 4.3Å; T85-L321 CarbonylContact C-O 3.55Å; T85-L321 WeakPolarHBondContact CA-O 3.36Å; T85-K322 HydrophobicContact CG2-CG 4.26Å
86	V	98.8	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.9	179.4	-171.7	0	0	0	0	110	V84 L113 L115 I277 L321	V84-V86 HydrophobicContact CG1-CG2 4.25Å; V84-V86 HydrophobicContact CG2-CG2 4.34Å; V86-L113 CarbonylContact C-O 3.57Å; V86-L113 VanDerWaalsContact CA-O 3.3Å; V86-L113 WeakPolarHBondContact CA-O 3.37Å; V86-L113 HydrophobicContact CG1-CD2 4.31Å; V86-L113 HydrophobicContact CG1-CG 4.46Å; V86-L113 HydrophobicContact CG2-CB 4.43Å; V86-L113 HydrophobicContact CG2-CD2 4.32Å; V86-L115 HydrophobicContact CG1-CD1 3.84Å; V86-L115 HydrophobicContact CG1-CD2 3.94Å; V86-L115 HydrophobicContact CG1-CG 3.87Å; V86-I277 HydrophobicContact CG1-CG2 4.18Å; V86-L321 HydrophobicContact CB-CB 4.26Å; V86-L321 HydrophobicContact CB-CD2 4.47Å; V86-L321 HydrophobicContact CG2-CD2 4.22Å; V86-L321 PolarHBondContact N-O 3.45Å; V86-L321 PolarHBondContact O-N 3.03Å
87	C	98.9	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.1	-175.3	-52.6	0	0	0	0	110.2	L100 L113 F114 L115 I320	C87-L100 HydrophobicContact CB-CD1 4.17Å; C87-L113 PolarHBondContact N-O 2.7Å; C87-F114 HydrophobicContact CB-CD1 3.54Å; C87-F114 HydrophobicContact CB-CE1 3.68Å; C87-F114 HydrophobicContact CB-CG 3.99Å; C87-F114 HydrophobicContact CB-CZ 4.23Å; C87-L115 WeakPolarHBondContact O-CG 3.22Å; C87-L115 PolarHBondContact O-N 3.06Å; C87-I320 HydrophobicContact CB-CG2 4.47Å
88	G	98.8	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.			trans	-89.2	-150.5	172.5	0	0	0	0	0	112.4	S306	G88-S306 PolarHBondContact N-OG 2.91Å
89	D	98.9	Very high	98.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.111	C	C	.	.			trans	-57.7	140.4	-175.4	-46.2	10	0	0	0	111.8	H91 D117 H198 A279 H280 F305 S306 A307	D89-H91 IonicContact OD2-NE2 3.81Å; D89-D117 HydrophobicContact CB-CB 3.96Å; D89-H198 IonicContact OD1-CE1 3.33Å; D89-H198 PolarHBondContact OD1-CE1 2.91Å; D89-H198 IonicContact OD1-ND1 3.13Å; D89-A279 WeakPolarHBondContact OD1-CB 3.44Å; D89-H280 PolarHBondContact OD1-N 3.36Å; D89-H280 VanDerWaalsContact OD2-CA 3.3Å; D89-H280 WeakPolarHBondContact OD2-CA 3.47Å; D89-H280 PolarHBondContact OD2-N 3.42Å; D89-F305 HydrophobicContact CB-CD2 3.86Å; D89-F305 HydrophobicContact CB-CE2 3.63Å; D89-F305 VanDerWaalsContact OD2-CE2 3.25Å; D89-F305 WeakPolarHBondContact OD2-CE2 3.24Å; D89-S306 CarbonylContact O-C 3.59Å; D89-S306 WeakPolarHBondContact O-CA 3.32Å; D89-S306 WeakPolarHBondContact O-CB 3.24Å; D89-S306 PolarHBondContact O-N 2.79Å; D89-A307 PolarHBondContact O-N 3.5Å; D89-A307 VanDerWaalsContact O-N 3.09Å
90	I	98.9	Very high	98.5	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.015	9%	0.091	C	C	.	.			trans	-114.2	-35.7	-180	-56	-59.5	0	0	0	111.8	G92 Q93 L97 L100 F114 D117	I90-G92 VanDerWaalsContact C-N 3.35Å; I90-G92 PolarHBondContact O-N 2.96Å; I90-Q93 WeakPolarHBondContact O-CB 3.49Å; I90-Q93 PolarHBondContact O-N 3.04Å; I90-L97 HydrophobicContact CD1-CD1 4.12Å; I90-L97 HydrophobicContact CG2-CB 4.27Å; I90-L100 HydrophobicContact CD1-CD1 3.75Å; I90-F114 HydrophobicContact CD1-CD1 4.19Å; I90-F114 HydrophobicContact CD1-CE1 3.96Å; I90-F114 HydrophobicContact CG1-CD1 4.11Å; I90-F114 HydrophobicContact CG1-CE1 4.23Å; I90-D117 PolarHBondContact N-O 3.11Å
91	H	98.6	Very high	98.5	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.019	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	49.7	174.6	-77.5	-50.9	0	0	0	114.8	D89 Q93 D117 V119 D120 R121 G122 H150 Y310	D89-H91 IonicContact OD2-NE2 3.81Å; H91-Q93 PolarHBondContact O-N 2.85Å; H91-D117 IonicContact CE1-OD2 3.62Å; H91-D117 PolarHBondContact N-O 3.14Å; H91-D117 IonicContact NE2-OD2 2.88Å; H91-V119 PolarHBondContact ND1-O 3.39Å; H91-V119 VanDerWaalsContact ND1-O 3.08Å; H91-D120 CarbonylContact C-O 3.53Å; H91-D120 WeakPolarHBondContact CA-O 3.38Å; H91-D120 VanDerWaalsContact O-O 3.11Å; H91-R121 HydrophobicContact CB-CB 4.18Å; H91-R121 HydrophobicContact CB-CG 4.32Å; H91-G122 WeakPolarHBondContact O-CA 3.39Å; H91-G122 PolarHBondContact O-N 3.07Å; H91-H150 AromaticContact CE1-CD2 3.56Å; H91-H150 AromaticContact CE1-CG 3.96Å; H91-H150 AromaticContact CE1-NE2 3.69Å; H91-Y310 HydrophobicContact CB-CE2 3.97Å; H91-Y310 AromaticContact CD2-CE2 3.48Å; H91-Y310 VanDerWaalsContact CD2-CE2 3.48Å; H91-Y310 WeakPolarHBondContact CD2-CE2 3.5Å; H91-Y310 AromaticContact CD2-CZ 3.92Å; H91-Y310 AromaticContact CG-CE2 3.87Å
92	G	98.5	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	17.6	177	0	0	0	0	0	115.7	I90 F94 Y118 F124 S125	I90-G92 VanDerWaalsContact C-N 3.35Å; I90-G92 PolarHBondContact O-N 2.96Å; G92-F94 VanDerWaalsContact C-N 3.28Å; G92-F94 PolarHBondContact O-N 2.82Å; G92-F94 VanDerWaalsContact O-N 3.1Å; G92-Y118 PolarHBondContact N-O 3.46Å; G92-F124 CarbonylContact O-C 3.57Å; G92-F124 WeakPolarHBondContact O-CA 3.43Å; G92-F124 VanDerWaalsContact O-CB 3.29Å; G92-F124 WeakPolarHBondContact O-CB 3.13Å; G92-F124 PolarHBondContact O-N 3.45Å; G92-F124 VanDerWaalsContact O-N 3.1Å; G92-S125 WeakPolarHBondContact CA-OG 2.96Å
93	Q	98.7	Very high	98.5	Very high	19 Å²	19	17.4 Å²	17.4	9%	0.089	9%	0.088	C	C	.	.			trans	-84.9	65.7	175.1	-66.9	-176.4	-157.4	0	0	111	I90 H91 F95 D96 L97 P308	I90-Q93 WeakPolarHBondContact O-CB 3.49Å; I90-Q93 PolarHBondContact O-N 3.04Å; H91-Q93 PolarHBondContact O-N 2.85Å; Q93-F95 VanDerWaalsContact C-N 3.26Å; Q93-F95 PolarHBondContact O-N 2.95Å; Q93-D96 HydrophobicContact CB-CB 4.04Å; Q93-D96 PolarHBondContact NE2-OD2 2.75Å; Q93-D96 PolarHBondContact O-N 3.14Å; Q93-L97 PolarHBondContact O-N 3.19Å; Q93-P308 PolarHBondContact NE2-O 2.89Å
94	F	98.8	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-55.8	-36.8	-173.9	-179.1	-102.9	0	0	0	114.1	F49 I50 G92 D96 L97 M98 F124 E127 C128 Y131	F49-F94 HydrophobicContact CB-CD1 4.33Å; F49-F94 HydrophobicContact CB-CE1 3.46Å; F49-F94 VanDerWaalsContact CB-CE1 3.46Å; F49-F94 HydrophobicContact CB-CE2 4.29Å; F49-F94 HydrophobicContact CB-CZ 3.43Å; F49-F94 VanDerWaalsContact CB-CZ 3.43Å; F49-F94 HydrophobicContact CD2-CE2 4.22Å; F49-F94 HydrophobicContact CD2-CZ 4.02Å; F49-F94 HydrophobicContact CG-CZ 4.23Å; I50-F94 HydrophobicContact CG1-CE1 4.16Å; G92-F94 VanDerWaalsContact C-N 3.28Å; G92-F94 PolarHBondContact O-N 2.82Å; G92-F94 VanDerWaalsContact O-N 3.1Å; F94-D96 VanDerWaalsContact C-N 3.34Å; F94-L97 HydrophobicContact CD2-CD2 4.39Å; F94-L97 WeakPolarHBondContact O-CB 3.43Å; F94-L97 PolarHBondContact O-N 2.85Å; F94-M98 HydrophobicContact CD2-CE 4.11Å; F94-M98 HydrophobicContact CE1-CE 4.22Å; F94-M98 HydrophobicContact CE1-CG 4.24Å; F94-M98 HydrophobicContact CE1-SD 4.33Å; F94-M98 HydrophobicContact CE2-CE 3.51Å; F94-M98 HydrophobicContact CZ-CE 3.57Å; F94-M98 HydrophobicContact CZ-CG 4.45Å; F94-M98 HydrophobicContact CZ-SD 3.98Å; F94-M98 PolarHBondContact O-N 2.83Å; F94-M98 VanDerWaalsContact O-N 3.08Å; F94-F124 HydrophobicContact CB-CB 3.49Å; F94-F124 VanDerWaalsContact CB-CB 3.49Å; F94-F124 HydrophobicContact CB-CG 4.33Å; F94-E127 HydrophobicContact CB-CB 4.23Å; F94-E127 HydrophobicContact CD1-CB 4.28Å; F94-E127 HydrophobicContact CD2-CB 3.7Å; F94-E127 HydrophobicContact CE2-CB 4.12Å; F94-E127 HydrophobicContact CG-CB 3.79Å; F94-C128 WeakPolarHBondContact CA-SG 3.38Å; F94-Y131 HydrophobicContact CE2-CD1 4.28Å; F94-Y131 AromaticContact CE2-CG 3.94Å; F94-Y131 HydrophobicContact CE2-CG 3.94Å; F94-Y131 HydrophobicContact CZ-CG 4.48Å
95	F	98.6	Very high	98.5	Very high	26 Å²	26	15.1 Å²	15.1	11%	0.114	8%	0.077	C	C	.	.	H	α-helix	trans	-69.4	-34.8	179.5	-66.7	-95.9	0	0	0	111.7	I50 Q93 M98 K99 F124 H338 P339	I50-F95 WeakPolarHBondContact O-CE1 3.46Å; Q93-F95 VanDerWaalsContact C-N 3.26Å; Q93-F95 PolarHBondContact O-N 2.95Å; F95-M98 WeakPolarHBondContact O-CB 3.34Å; F95-M98 PolarHBondContact O-N 3.35Å; F95-K99 PolarHBondContact O-N 2.9Å; F95-F124 HydrophobicContact CD2-CD2 4.05Å; F95-F124 HydrophobicContact CD2-CE2 4.09Å; F95-F124 HydrophobicContact CD2-CG 4.35Å; F95-F124 HydrophobicContact CD2-CZ 4.41Å; F95-F124 AromaticContact CE2-CD1 3.86Å; F95-F124 HydrophobicContact CE2-CD1 3.86Å; F95-F124 AromaticContact CE2-CD2 4Å; F95-F124 HydrophobicContact CE2-CD2 4Å; F95-F124 AromaticContact CE2-CE1 3.75Å; F95-F124 HydrophobicContact CE2-CE1 3.75Å; F95-F124 AromaticContact CE2-CE2 3.89Å; F95-F124 HydrophobicContact CE2-CE2 3.89Å; F95-F124 AromaticContact CE2-CG 3.99Å; F95-F124 HydrophobicContact CE2-CG 3.99Å; F95-F124 AromaticContact CE2-CZ 3.76Å; F95-F124 HydrophobicContact CE2-CZ 3.76Å; F95-H338 HydrophobicContact CB-CB 4.01Å; F95-H338 HydrophobicContact CD1-CB 4.45Å; F95-H338 HydrophobicContact CD2-CB 3.4Å; F95-H338 HydrophobicContact CE2-CB 4.02Å; F95-H338 HydrophobicContact CG-CB 3.68Å; F95-P339 HydrophobicContact CE1-CG 4.29Å; F95-P339 HydrophobicContact CE2-CG 4.11Å; F95-P339 HydrophobicContact CZ-CG 3.65Å
96	D	98.7	Very high	98.4	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-74.3	-32.4	172.1	-63.3	-50.4	0	0	0	112.2	Q93 F94 M98 K99 L100 P308 C335 S336	Q93-D96 HydrophobicContact CB-CB 4.04Å; Q93-D96 PolarHBondContact NE2-OD2 2.75Å; Q93-D96 PolarHBondContact O-N 3.14Å; F94-D96 VanDerWaalsContact C-N 3.34Å; D96-M98 VanDerWaalsContact C-N 3.26Å; D96-M98 PolarHBondContact O-N 3.25Å; D96-K99 CarbonylContact O-C 3.49Å; D96-K99 WeakPolarHBondContact O-CA 3.49Å; D96-K99 WeakPolarHBondContact O-CB 3.41Å; D96-K99 PolarHBondContact O-N 3.44Å; D96-L100 PolarHBondContact O-N 2.63Å; D96-P308 HydrophobicContact CB-CG 3.8Å; D96-P308 VanDerWaalsContact CG-CG 3.46Å; D96-C335 VanDerWaalsContact OD1-CA 3.24Å; D96-C335 WeakPolarHBondContact OD1-CA 3.48Å; D96-S336 PolarHBondContact OD1-N 3.16Å
97	L	98.7	Very high	98.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-37.2	171.3	179.2	63.9	0	0	0	111.4	I90 Q93 F94 K99 L100 F101 F114 C128 Y131 L132	I90-L97 HydrophobicContact CD1-CD1 4.12Å; I90-L97 HydrophobicContact CG2-CB 4.27Å; Q93-L97 PolarHBondContact O-N 3.19Å; F94-L97 HydrophobicContact CD2-CD2 4.39Å; F94-L97 WeakPolarHBondContact O-CB 3.43Å; F94-L97 PolarHBondContact O-N 2.85Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.93Å; L97-L100 HydrophobicContact CD1-CD1 4.35Å; L97-L100 HydrophobicContact CD1-CD2 4.48Å; L97-L100 WeakPolarHBondContact O-CB 3.12Å; L97-L100 PolarHBondContact O-N 3.11Å; L97-F101 HydrophobicContact CD1-CD2 4.32Å; L97-F101 HydrophobicContact CD1-CE2 3.64Å; L97-F101 HydrophobicContact CD1-CZ 3.96Å; L97-F101 HydrophobicContact CD2-CE2 4.23Å; L97-F101 HydrophobicContact CG-CD2 4.23Å; L97-F101 HydrophobicContact CG-CE2 3.67Å; L97-F101 HydrophobicContact CG-CZ 4.44Å; L97-F101 WeakPolarHBondContact O-CD2 3.49Å; L97-F101 PolarHBondContact O-N 2.6Å; L97-F114 HydrophobicContact CD1-CE1 3.85Å; L97-F114 HydrophobicContact CD1-CZ 4.14Å; L97-C128 HydrophobicContact CD2-CB 4.34Å; L97-Y131 HydrophobicContact CD2-CD1 4.47Å; L97-L132 HydrophobicContact CD1-CD2 4.31Å; L97-L132 HydrophobicContact CD2-CD1 4.41Å; L97-L132 HydrophobicContact CD2-CD2 4.14Å; L97-L132 HydrophobicContact CD2-CG 4.1Å
98	M	98.5	Very high	98.3	Very high	10 Å²	10	23.1 Å²	23.1	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-40.7	171.8	-63.1	-55.7	97.4	0	0	111.4	R46 I50 F94 F95 D96 L100 F101 E102 Y131	R46-M98 HydrophobicContact CG-SD 3.67Å; R46-M98 PolarHBondContact NE-SD 2.69Å; I50-M98 HydrophobicContact CD1-CG 4.13Å; I50-M98 HydrophobicContact CD1-SD 4.38Å; I50-M98 HydrophobicContact CG1-CG 4.16Å; F94-M98 HydrophobicContact CD2-CE 4.11Å; F94-M98 HydrophobicContact CE1-CE 4.22Å; F94-M98 HydrophobicContact CE1-CG 4.24Å; F94-M98 HydrophobicContact CE1-SD 4.33Å; F94-M98 HydrophobicContact CE2-CE 3.51Å; F94-M98 HydrophobicContact CZ-CE 3.57Å; F94-M98 HydrophobicContact CZ-CG 4.45Å; F94-M98 HydrophobicContact CZ-SD 3.98Å; F94-M98 PolarHBondContact O-N 2.83Å; F94-M98 VanDerWaalsContact O-N 3.08Å; F95-M98 WeakPolarHBondContact O-CB 3.34Å; F95-M98 PolarHBondContact O-N 3.35Å; D96-M98 VanDerWaalsContact C-N 3.26Å; D96-M98 PolarHBondContact O-N 3.25Å; M98-L100 VanDerWaalsContact C-N 3.35Å; M98-F101 HydrophobicContact CE-CD2 4.27Å; M98-F101 HydrophobicContact CE-CE2 4.45Å; M98-F101 PolarHBondContact O-N 2.98Å; M98-E102 PolarHBondContact O-N 3.33Å; M98-Y131 HydrophobicContact CE-CD1 3.68Å; M98-Y131 HydrophobicContact CE-CE1 3.55Å; M98-Y131 HydrophobicContact CE-CG 4.38Å; M98-Y131 HydrophobicContact SD-CE1 4.37Å
99	K	98.3	Very high	98.2	Very high	73 Å²	73	28.9 Å²	28.9	32%	0.317	16%	0.164	S	C	.	.	H	α-helix	trans	-66.4	-38.1	176.4	-172.6	59.6	-177.8	176.6	0	112.3	F95 D96 L97 F101 E102 V103 F333	F95-K99 PolarHBondContact O-N 2.9Å; D96-K99 CarbonylContact O-C 3.49Å; D96-K99 WeakPolarHBondContact O-CA 3.49Å; D96-K99 WeakPolarHBondContact O-CB 3.41Å; D96-K99 PolarHBondContact O-N 3.44Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.93Å; K99-F101 VanDerWaalsContact C-N 3.32Å; K99-F101 PolarHBondContact O-N 3.45Å; K99-E102 HydrophobicContact CD-CB 4.48Å; K99-E102 VanDerWaalsContact CD-OE2 3.32Å; K99-E102 WeakPolarHBondContact CD-OE2 3.34Å; K99-E102 IonicContact NZ-OE2 2.83Å; K99-E102 PolarHBondContact NZ-OE2 2.63Å; K99-E102 WeakPolarHBondContact O-CB 3.28Å; K99-E102 PolarHBondContact O-N 3.17Å; K99-E102 VanDerWaalsContact O-N 3.16Å; K99-V103 HydrophobicContact CG-CG2 4.47Å; K99-V103 WeakPolarHBondContact O-CG2 3.34Å; K99-V103 PolarHBondContact O-N 3.33Å; K99-F333 HydrophobicContact CB-CD2 4.44Å; K99-F333 HydrophobicContact CG-CD2 4.01Å
100	L	98.7	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.8	-47	175.3	-179.1	160	0	0	0	110.7	C87 I90 D96 L97 M98 E102 V103 G104 Y112 F114 I320 F333	C87-L100 HydrophobicContact CB-CD1 4.17Å; I90-L100 HydrophobicContact CD1-CD1 3.75Å; D96-L100 PolarHBondContact O-N 2.63Å; L97-L100 HydrophobicContact CD1-CD1 4.35Å; L97-L100 HydrophobicContact CD1-CD2 4.48Å; L97-L100 WeakPolarHBondContact O-CB 3.12Å; L97-L100 PolarHBondContact O-N 3.11Å; M98-L100 VanDerWaalsContact C-N 3.35Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 2.76Å; L100-V103 PolarHBondContact O-N 3.19Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-G104 PolarHBondContact O-N 3.2Å; L100-Y112 HydrophobicContact CD2-CE1 3.95Å; L100-F114 HydrophobicContact CD1-CE1 4.24Å; L100-F114 HydrophobicContact CD2-CE1 4.37Å; L100-F114 HydrophobicContact CD2-CZ 4.07Å; L100-I320 HydrophobicContact CD1-CG2 3.97Å; L100-I320 HydrophobicContact CD2-CG2 4.37Å; L100-I320 HydrophobicContact CG-CG2 3.79Å; L100-F333 HydrophobicContact CB-CE2 4.42Å; L100-F333 HydrophobicContact CB-CZ 3.96Å; L100-F333 HydrophobicContact CD1-CZ 4.3Å; L100-F333 HydrophobicContact CG-CZ 4.31Å
101	F	98.4	Very high	98.2	Very high	14 Å²	14	32.9 Å²	32.9	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-33	177.5	-69.5	-56.3	0	0	0	113.5	L97 M98 K99 V103 G105 P107 Y112 F114 Y131 L132 L135 F143	L97-F101 HydrophobicContact CD1-CD2 4.32Å; L97-F101 HydrophobicContact CD1-CE2 3.64Å; L97-F101 HydrophobicContact CD1-CZ 3.96Å; L97-F101 HydrophobicContact CD2-CE2 4.23Å; L97-F101 HydrophobicContact CG-CD2 4.23Å; L97-F101 HydrophobicContact CG-CE2 3.67Å; L97-F101 HydrophobicContact CG-CZ 4.44Å; L97-F101 WeakPolarHBondContact O-CD2 3.49Å; L97-F101 PolarHBondContact O-N 2.6Å; M98-F101 HydrophobicContact CE-CD2 4.27Å; M98-F101 HydrophobicContact CE-CE2 4.45Å; M98-F101 PolarHBondContact O-N 2.98Å; K99-F101 VanDerWaalsContact C-N 3.32Å; K99-F101 PolarHBondContact O-N 3.45Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 3.31Å; F101-G105 CarbonylContact O-C 3.53Å; F101-G105 PolarHBondContact O-N 2.61Å; F101-P107 HydrophobicContact CD1-CG 3.59Å; F101-P107 HydrophobicContact CE1-CG 3.66Å; F101-P107 HydrophobicContact CG-CG 4.37Å; F101-P107 HydrophobicContact CZ-CG 4.46Å; F101-Y112 HydrophobicContact CD1-CE1 4.17Å; F101-Y112 HydrophobicContact CD1-CE2 4.1Å; F101-Y112 AromaticContact CD1-CZ 3.74Å; F101-Y112 HydrophobicContact CE1-CD1 4.44Å; F101-Y112 HydrophobicContact CE1-CE1 4.15Å; F101-Y112 HydrophobicContact CE1-CE2 4.23Å; F101-F114 HydrophobicContact CE1-CE2 4.3Å; F101-F114 AromaticContact CE1-CZ 3.9Å; F101-F114 HydrophobicContact CE1-CZ 3.9Å; F101-F114 HydrophobicContact CZ-CE2 4.39Å; F101-F114 AromaticContact CZ-CZ 3.83Å; F101-F114 HydrophobicContact CZ-CZ 3.83Å; F101-Y131 AromaticContact CD2-CE1 3.99Å; F101-Y131 HydrophobicContact CD2-CE1 3.99Å; F101-Y131 AromaticContact CE2-CD1 3.98Å; F101-Y131 HydrophobicContact CE2-CD1 3.98Å; F101-Y131 AromaticContact CE2-CE1 3.62Å; F101-Y131 HydrophobicContact CE2-CE1 3.62Å; F101-L132 HydrophobicContact CZ-CD2 4Å; F101-L135 HydrophobicContact CE1-CD1 4.08Å; F101-L135 HydrophobicContact CE2-CD1 3.88Å; F101-L135 HydrophobicContact CZ-CD1 3.46Å; F101-L135 VanDerWaalsContact CZ-CD1 3.46Å; F101-F143 AromaticContact CE1-CE2 3.92Å; F101-F143 HydrophobicContact CE1-CE2 3.92Å; F101-F143 HydrophobicContact CE1-CZ 4.22Å; F101-F143 HydrophobicContact CZ-CE2 4.18Å; F101-F143 HydrophobicContact CZ-CZ 4.04Å
102	E	97.5	Very high	98.2	Very high	113 Å²	113	32.7 Å²	32.7	53%	0.528	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-34.3	171.8	-67.8	177.6	-177.5	0	0	112.6	R46 M98 K99 L100	R46-E102 IonicContact NH2-OE1 2.79Å; M98-E102 PolarHBondContact O-N 3.33Å; K99-E102 HydrophobicContact CD-CB 4.48Å; K99-E102 VanDerWaalsContact CD-OE2 3.32Å; K99-E102 WeakPolarHBondContact CD-OE2 3.34Å; K99-E102 IonicContact NZ-OE2 2.83Å; K99-E102 PolarHBondContact NZ-OE2 2.63Å; K99-E102 WeakPolarHBondContact O-CB 3.28Å; K99-E102 PolarHBondContact O-N 3.17Å; K99-E102 VanDerWaalsContact O-N 3.16Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 2.76Å
103	V	97.4	Very high	98.2	Very high	28 Å²	28	32.7 Å²	32.7	17%	0.17	18%	0.181	C	C	.	.	H	α-helix	trans	-86.7	-38	-177.2	177.2	0	0	0	0	111.9	K99 L100 F101 I320 R331 F333	K99-V103 HydrophobicContact CG-CG2 4.47Å; K99-V103 WeakPolarHBondContact O-CG2 3.34Å; K99-V103 PolarHBondContact O-N 3.33Å; L100-V103 PolarHBondContact O-N 3.19Å; L100-V103 VanDerWaalsContact O-N 3.14Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 3.31Å; V103-I320 HydrophobicContact CB-CD1 4.38Å; V103-I320 HydrophobicContact CG1-CD1 4Å; V103-R331 HydrophobicContact CG1-CB 3.83Å; V103-F333 HydrophobicContact CG2-CB 4.07Å
104	G	97.7	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-78.6	-36.8	-178.2	0	0	0	0	0	113.7	L100 Y112 K322	L100-G104 PolarHBondContact O-N 3.2Å; G104-Y112 VanDerWaalsContact CA-OH 3.3Å; G104-Y112 WeakPolarHBondContact CA-OH 3.41Å; G104-K322 WeakPolarHBondContact O-CE 3.12Å; G104-K322 PolarHBondContact O-NZ 3.44Å
105	G	97.6	Very high	98.2	Very high	20 Å²	20	31.8 Å²	31.8	21%	0.206	18%	0.176	C	C	.	.			trans	120.9	157.5	-174.9	0	0	0	0	0	111.9	F101 P107 Y112	F101-G105 CarbonylContact O-C 3.53Å; F101-G105 PolarHBondContact O-N 2.61Å; G105-P107 WeakPolarHBondContact O-CD 3.44Å; G105-Y112 PolarHBondContact N-OH 3.09Å; G105-Y112 VanDerWaalsContact N-OH 3.17Å; G105-Y112 WeakPolarHBondContact O-CE2 3.36Å; G105-Y112 PolarHBondContact O-OH 2.93Å
106	D	97.6	Very high	98.3	Very high	100 Å²	100	30.6 Å²	30.6	54%	0.535	17%	0.171	S	C	.	.			trans	-63.1	125.4	-179.9	-169	-29.7	0	0	0	110.4	A108 T109 T110	D106-A108 PolarHBondContact O-N 2.75Å; D106-A108 WeakPolarHBondContact OD1-CB 3.13Å; D106-A108 PolarHBondContact OD1-N 3.15Å; D106-T109 CarbonylContact O-C 3.59Å; D106-T109 PolarHBondContact O-N 3.44Å; D106-T109 PolarHBondContact O-OG1 3Å; D106-T110 WeakPolarHBondContact O-CB 3.14Å; D106-T110 PolarHBondContact O-N 2.69Å; D106-T110 PolarHBondContact O-OG1 2.75Å
107	P	98	Very high	98.3	Very high	8 Å²	8	30.4 Å²	30.4	5%	0.052	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.8	174.9	-28.4	36.6	0	0	0	114.8	F101 G105 T109 Y112 L135 F143	F101-P107 HydrophobicContact CD1-CG 3.59Å; F101-P107 HydrophobicContact CE1-CG 3.66Å; F101-P107 HydrophobicContact CG-CG 4.37Å; F101-P107 HydrophobicContact CZ-CG 4.46Å; G105-P107 WeakPolarHBondContact O-CD 3.44Å; P107-T109 PolarHBondContact O-N 2.89Å; P107-Y112 HydrophobicContact CB-CD2 4.33Å; P107-Y112 HydrophobicContact CB-CE2 4.37Å; P107-Y112 HydrophobicContact CG-CD2 4.28Å; P107-Y112 HydrophobicContact CG-CE2 3.97Å; P107-L135 HydrophobicContact CB-CD2 3.93Å; P107-L135 HydrophobicContact CG-CD1 4.12Å; P107-L135 HydrophobicContact CG-CD2 4.05Å; P107-F143 HydrophobicContact CB-CD2 4.13Å; P107-F143 HydrophobicContact CB-CE2 4.19Å; P107-F143 HydrophobicContact CG-CE2 4.25Å
108	A	97.2	Very high	98.3	Very high	61 Å²	61	30.4 Å²	30.4	50%	0.504	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.8	175.3	0	0	0	0	0	113.6	D106	D106-A108 PolarHBondContact O-N 2.75Å; D106-A108 WeakPolarHBondContact OD1-CB 3.13Å; D106-A108 PolarHBondContact OD1-N 3.15Å
109	T	97.6	Very high	98.3	Very high	122 Å²	122	29.9 Å²	29.9	75%	0.748	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-2	-179.1	58.7	0	0	0	0	113.4	D106 P107	D106-T109 CarbonylContact O-C 3.59Å; D106-T109 PolarHBondContact O-N 3.44Å; D106-T109 PolarHBondContact O-OG1 3Å; P107-T109 PolarHBondContact O-N 2.89Å
110	T	98.2	Very high	98.3	Very high	25 Å²	25	26.4 Å²	26.4	15%	0.153	15%	0.152	C	C	.	.	S	Bend	trans	-125.4	127.2	-174	-50.5	0	0	0	0	110	D106 Y112	D106-T110 WeakPolarHBondContact O-CB 3.14Å; D106-T110 PolarHBondContact O-N 2.69Å; D106-T110 PolarHBondContact O-OG1 2.75Å; T110-Y112 HydrophobicContact CG2-CD2 4.24Å; T110-Y112 HydrophobicContact CG2-CE2 3.77Å; T110-Y112 WeakPolarHBondContact O-CD2 3.49Å
111	R	98.7	Very high	98	Very high	63 Å²	63	27.7 Å²	27.7	24%	0.238	16%	0.157	C	C	.	.			trans	-75.8	136.4	173.1	-177	177.3	-67.3	110.3	-3.2	110.8	I80 D81 P83 V84 T85 T142 Y144	I80-R111 HydrophobicContact CG2-CG 4.45Å; D81-R111 WeakPolarHBondContact O-CD 3.48Å; D81-R111 PolarHBondContact O-NH1 2.85Å; P83-R111 WeakPolarHBondContact O-CB 3.34Å; P83-R111 PolarHBondContact O-NH1 3.23Å; V84-R111 HydrophobicContact CB-CG 4.36Å; V84-R111 HydrophobicContact CG2-CG 4.15Å; T85-R111 PolarHBondContact N-O 3.19Å; R111-T142 CarbonylContact C-O 3.36Å; R111-T142 WeakPolarHBondContact CA-O 3.38Å; R111-T142 WeakPolarHBondContact CG-O 3.44Å; R111-Y144 HydrophobicContact CG-CD2 4.38Å; R111-Y144 HydrophobicContact CG-CE2 4.03Å
112	Y	98.9	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.2	-177.9	-84.7	-86.3	0	0	0	112.5	T85 L100 F101 G104 G105 P107 T110 F114 T142 F143 Y144	T85-Y112 HydrophobicContact CG2-CD1 3.96Å; T85-Y112 HydrophobicContact CG2-CE1 3.52Å; T85-Y112 WeakPolarHBondContact O-CA 3.38Å; L100-Y112 HydrophobicContact CD2-CE1 3.95Å; F101-Y112 HydrophobicContact CD1-CE1 4.17Å; F101-Y112 HydrophobicContact CD1-CE2 4.1Å; F101-Y112 AromaticContact CD1-CZ 3.74Å; F101-Y112 HydrophobicContact CE1-CD1 4.44Å; F101-Y112 HydrophobicContact CE1-CE1 4.15Å; F101-Y112 HydrophobicContact CE1-CE2 4.23Å; G104-Y112 VanDerWaalsContact CA-OH 3.3Å; G104-Y112 WeakPolarHBondContact CA-OH 3.41Å; G105-Y112 PolarHBondContact N-OH 3.09Å; G105-Y112 VanDerWaalsContact N-OH 3.17Å; G105-Y112 WeakPolarHBondContact O-CE2 3.36Å; G105-Y112 PolarHBondContact O-OH 2.93Å; P107-Y112 HydrophobicContact CB-CD2 4.33Å; P107-Y112 HydrophobicContact CB-CE2 4.37Å; P107-Y112 HydrophobicContact CG-CD2 4.28Å; P107-Y112 HydrophobicContact CG-CE2 3.97Å; T110-Y112 HydrophobicContact CG2-CD2 4.24Å; T110-Y112 HydrophobicContact CG2-CE2 3.77Å; T110-Y112 WeakPolarHBondContact O-CD2 3.49Å; Y112-F114 AromaticContact CD1-CE2 3.75Å; Y112-F114 HydrophobicContact CD1-CE2 3.75Å; Y112-F114 HydrophobicContact CD1-CZ 4.17Å; Y112-F114 HydrophobicContact CG-CE2 4.09Å; Y112-T142 PolarHBondContact N-O 2.81Å; Y112-F143 HydrophobicContact CD2-CD2 4.17Å; Y112-F143 HydrophobicContact CD2-CE2 4.05Å; Y112-F143 HydrophobicContact CG-CD2 4.21Å; Y112-F143 AromaticContact CG-CE2 3.96Å; Y112-F143 HydrophobicContact CG-CE2 3.96Å; Y112-Y144 WeakPolarHBondContact O-CD2 3.44Å; Y112-Y144 PolarHBondContact O-N 2.86Å
113	L	98.9	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117.8	166.8	172.4	63	0	0	0	108.6	I80 V84 T85 V86 C87 L115 Y144 L146 A188 C196	I80-L113 HydrophobicContact CD1-CB 4.36Å; I80-L113 HydrophobicContact CD1-CD1 3.74Å; I80-L113 HydrophobicContact CD1-CD2 4.17Å; I80-L113 HydrophobicContact CD1-CG 4.3Å; V84-L113 HydrophobicContact CG2-CB 3.98Å; T85-L113 PolarHBondContact O-N 3.29Å; V86-L113 CarbonylContact C-O 3.57Å; V86-L113 VanDerWaalsContact CA-O 3.3Å; V86-L113 WeakPolarHBondContact CA-O 3.37Å; V86-L113 HydrophobicContact CG1-CD2 4.31Å; V86-L113 HydrophobicContact CG1-CG 4.46Å; V86-L113 HydrophobicContact CG2-CB 4.43Å; V86-L113 HydrophobicContact CG2-CD2 4.32Å; C87-L113 PolarHBondContact N-O 2.7Å; L113-L115 HydrophobicContact CD2-CD2 4.07Å; L113-L115 HydrophobicContact CG-CD2 4.06Å; L113-Y144 WeakPolarHBondContact CA-O 3.03Å; L113-L146 HydrophobicContact CD1-CD1 4.15Å; L113-L146 HydrophobicContact CD1-CD2 4.17Å; L113-L146 HydrophobicContact CD1-CG 3.81Å; L113-A188 HydrophobicContact CD1-CB 4.09Å; L113-A188 HydrophobicContact CD2-CB 3.94Å; L113-C196 HydrophobicContact CD2-CB 3.69Å
114	F	98.9	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.2	170.6	-70.1	-106.3	0	0	0	110.2	C87 I90 L97 L100 F101 Y112 Y118 L132 F143 Y144 L145 L146	C87-F114 HydrophobicContact CB-CD1 3.54Å; C87-F114 HydrophobicContact CB-CE1 3.68Å; C87-F114 HydrophobicContact CB-CG 3.99Å; C87-F114 HydrophobicContact CB-CZ 4.23Å; I90-F114 HydrophobicContact CD1-CD1 4.19Å; I90-F114 HydrophobicContact CD1-CE1 3.96Å; I90-F114 HydrophobicContact CG1-CD1 4.11Å; I90-F114 HydrophobicContact CG1-CE1 4.23Å; L97-F114 HydrophobicContact CD1-CE1 3.85Å; L97-F114 HydrophobicContact CD1-CZ 4.14Å; L100-F114 HydrophobicContact CD1-CE1 4.24Å; L100-F114 HydrophobicContact CD2-CE1 4.37Å; L100-F114 HydrophobicContact CD2-CZ 4.07Å; F101-F114 HydrophobicContact CE1-CE2 4.3Å; F101-F114 AromaticContact CE1-CZ 3.9Å; F101-F114 HydrophobicContact CE1-CZ 3.9Å; F101-F114 HydrophobicContact CZ-CE2 4.39Å; F101-F114 AromaticContact CZ-CZ 3.83Å; F101-F114 HydrophobicContact CZ-CZ 3.83Å; Y112-F114 AromaticContact CD1-CE2 3.75Å; Y112-F114 HydrophobicContact CD1-CE2 3.75Å; Y112-F114 HydrophobicContact CD1-CZ 4.17Å; Y112-F114 HydrophobicContact CG-CE2 4.09Å; F114-Y118 HydrophobicContact CB-CE1 3.72Å; F114-Y118 HydrophobicContact CD1-CE1 4.39Å; F114-Y118 HydrophobicContact CG-CE1 4.32Å; F114-L132 HydrophobicContact CE1-CD2 4.14Å; F114-L132 HydrophobicContact CE2-CD2 4.14Å; F114-L132 HydrophobicContact CZ-CD2 3.91Å; F114-F143 HydrophobicContact CD2-CE1 4.36Å; F114-F143 HydrophobicContact CD2-CZ 4.05Å; F114-F143 HydrophobicContact CE2-CE1 4.19Å; F114-F143 AromaticContact CE2-CE2 3.86Å; F114-F143 HydrophobicContact CE2-CE2 3.86Å; F114-F143 AromaticContact CE2-CZ 3.44Å; F114-F143 HydrophobicContact CE2-CZ 3.44Å; F114-F143 VanDerWaalsContact CE2-CZ 3.44Å; F114-F143 HydrophobicContact CZ-CZ 4.22Å; F114-Y144 PolarHBondContact N-O 3Å; F114-L145 HydrophobicContact CB-CD2 3.89Å; F114-L145 HydrophobicContact CD2-CD2 3.96Å; F114-L145 HydrophobicContact CG-CD2 4.07Å; F114-L146 WeakPolarHBondContact O-CB 3.5Å; F114-L146 WeakPolarHBondContact O-CG 3.38Å; F114-L146 PolarHBondContact O-N 2.87Å
115	L	98.9	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.			trans	-90	-7.6	-172.3	-60.1	-178.1	0	0	0	114.6	V86 C87 L113 L146 C196 H198 I277 A279 I304	V86-L115 HydrophobicContact CG1-CD1 3.84Å; V86-L115 HydrophobicContact CG1-CD2 3.94Å; V86-L115 HydrophobicContact CG1-CG 3.87Å; C87-L115 WeakPolarHBondContact O-CG 3.22Å; C87-L115 PolarHBondContact O-N 3.06Å; L113-L115 HydrophobicContact CD2-CD2 4.07Å; L113-L115 HydrophobicContact CG-CD2 4.06Å; L115-L146 HydrophobicContact CD2-CD1 3.78Å; L115-C196 HydrophobicContact CD2-CB 3.81Å; L115-H198 VanDerWaalsContact O-CB 3.29Å; L115-H198 WeakPolarHBondContact O-CB 3.34Å; L115-H198 PolarHBondContact O-ND1 2.98Å; L115-I277 HydrophobicContact CD1-CG2 4.23Å; L115-A279 HydrophobicContact CB-CB 3.85Å; L115-A279 HydrophobicContact CD1-CB 4.02Å; L115-I304 HydrophobicContact CD1-CG2 3.61Å
116	G	98.8	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	130.8	-170.9	178.4	0	0	0	0	0	113.2
117	D	98.8	Very high	98.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.106	C	C	.	.			trans	54.6	61.4	176.3	-73.2	2	0	0	0	112.9	D89 I90 H91 G148 N149 H150 E151 H198	D89-D117 HydrophobicContact CB-CB 3.96Å; I90-D117 PolarHBondContact N-O 3.11Å; H91-D117 IonicContact CE1-OD2 3.62Å; H91-D117 PolarHBondContact N-O 3.14Å; H91-D117 IonicContact NE2-OD2 2.88Å; D117-G148 WeakPolarHBondContact OD1-CA 3.28Å; D117-N149 PolarHBondContact OD1-N 3.37Å; D117-N149 PolarHBondContact OD1-OD1 3.14Å; D117-N149 PolarHBondContact OD2-OD1 3.21Å; D117-H150 WeakPolarHBondContact OD1-CB 2.98Å; D117-H150 IonicContact OD1-CD2 2.68Å; D117-H150 IonicContact OD1-CG 3.38Å; D117-H150 PolarHBondContact OD1-N 3.34Å; D117-H150 IonicContact OD2-CD2 3.56Å; D117-H150 PolarHBondContact OD2-CD2 3.34Å; D117-E151 WeakPolarHBondContact CA-OE1 3.26Å; D117-E151 PolarHBondContact N-OE1 3.04Å; D117-E151 PolarHBondContact N-OE2 3.12Å; D117-H198 IonicContact OD1-CE1 3.96Å; D117-H198 IonicContact OD1-NE2 3.74Å; D117-H198 PolarHBondContact OD1-NE2 3.5Å; D117-H198 IonicContact OD2-CE1 3.32Å; D117-H198 PolarHBondContact OD2-CE1 3.03Å; D117-H198 IonicContact OD2-NE2 2.76Å; D117-H198 PolarHBondContact OD2-NE2 3.23Å
118	Y	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.			trans	-78.6	-28.2	175.3	-46.8	-63.2	0	0	0	112.1	G92 F114 L132 W133 L145 L146 E151 L184	G92-Y118 PolarHBondContact N-O 3.46Å; F114-Y118 HydrophobicContact CB-CE1 3.72Å; F114-Y118 HydrophobicContact CD1-CE1 4.39Å; F114-Y118 HydrophobicContact CG-CE1 4.32Å; Y118-L132 HydrophobicContact CD1-CD1 3.4Å; Y118-L132 HydrophobicContact CE1-CD1 3.9Å; Y118-L132 HydrophobicContact CG-CD1 4.11Å; Y118-W133 HydrophobicContact CD2-CH2 4.25Å; Y118-W133 HydrophobicContact CD2-CZ3 4.2Å; Y118-W133 HydrophobicContact CE2-CH2 4.38Å; Y118-W133 HydrophobicContact CE2-CZ3 4.47Å; Y118-L145 HydrophobicContact CE1-CD2 3.99Å; Y118-L145 WeakPolarHBondContact OH-CA 3.43Å; Y118-L145 WeakPolarHBondContact OH-CB 3.29Å; Y118-L146 VanDerWaalsContact CE2-O 3.32Å; Y118-L146 WeakPolarHBondContact CE2-O 3.25Å; Y118-L146 PolarHBondContact OH-N 2.9Å; Y118-L146 VanDerWaalsContact OH-N 3.16Å; Y118-L146 PolarHBondContact OH-O 2.99Å; Y118-E151 VanDerWaalsContact CD2-CD 3.43Å; Y118-E151 HydrophobicContact CD2-CG 3.71Å; Y118-E151 WeakPolarHBondContact CD2-OE1 3.48Å; Y118-E151 HydrophobicContact CE2-CG 4.11Å; Y118-E151 PolarHBondContact N-OE1 2.88Å; Y118-L184 HydrophobicContact CE2-CD1 4.07Å; Y118-L184 HydrophobicContact CE2-CD2 4.42Å
119	V	98.8	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-115.6	176	-167.6	-56.3	0	0	0	0	113.4	H91 S125 V129 H150 T156 F161 F181	H91-V119 PolarHBondContact ND1-O 3.39Å; H91-V119 VanDerWaalsContact ND1-O 3.08Å; V119-S125 WeakPolarHBondContact CA-OG 3.24Å; V119-V129 HydrophobicContact CG1-CG2 3.49Å; V119-V129 VanDerWaalsContact CG1-CG2 3.49Å; V119-H150 HydrophobicContact CG2-CB 4.11Å; V119-T156 HydrophobicContact CG2-CG2 3.71Å; V119-F161 HydrophobicContact CB-CB 4.2Å; V119-F161 HydrophobicContact CB-CD1 4.18Å; V119-F161 HydrophobicContact CB-CD2 4.03Å; V119-F161 HydrophobicContact CB-CE2 4.43Å; V119-F161 HydrophobicContact CB-CG 3.88Å; V119-F161 HydrophobicContact CG1-CD1 4.14Å; V119-F161 HydrophobicContact CG1-CD2 3.95Å; V119-F161 HydrophobicContact CG1-CE1 4.03Å; V119-F161 HydrophobicContact CG1-CE2 3.84Å; V119-F161 HydrophobicContact CG1-CG 4.09Å; V119-F161 HydrophobicContact CG1-CZ 3.87Å; V119-F161 HydrophobicContact CG2-CD1 4.29Å; V119-F161 HydrophobicContact CG2-CG 4.34Å; V119-F181 HydrophobicContact CG1-CE2 4.17Å; V119-F181 HydrophobicContact CG1-CZ 3.72Å; V119-F181 HydrophobicContact CG2-CE2 4.19Å
120	D	97.8	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	63.1	169	-176	-66	-38.9	0	0	0	114.3	H91 G122 S125 H150 F159 T160 F161	H91-D120 CarbonylContact C-O 3.53Å; H91-D120 WeakPolarHBondContact CA-O 3.38Å; H91-D120 VanDerWaalsContact O-O 3.11Å; D120-G122 PolarHBondContact O-N 3.21Å; D120-S125 PolarHBondContact N-OG 2.94Å; D120-H150 WeakPolarHBondContact CB-ND1 3.19Å; D120-H150 IonicContact OD2-CE1 3.93Å; D120-H150 IonicContact OD2-CG 3.56Å; D120-H150 IonicContact OD2-ND1 3.72Å; D120-H150 PolarHBondContact OD2-ND1 3.25Å; D120-F159 HydrophobicContact CB-CB 3.86Å; D120-F159 HydrophobicContact CB-CD2 4.39Å; D120-F159 HydrophobicContact CB-CG 4.29Å; D120-F159 VanDerWaalsContact CG-CB 3.46Å; D120-F159 WeakPolarHBondContact OD1-CB 3.27Å; D120-T160 PolarHBondContact OD1-N 3.41Å; D120-F161 WeakPolarHBondContact OD1-CB 3.39Å; D120-F161 PolarHBondContact OD1-N 3.36Å
121	R	93.5	Very high	98.3	Very high	27 Å²	27	8.9 Å²	8.9	10%	0.102	4%	0.039	C	C	.	.	S	Bend	trans	71.7	-63.9	174.3	-35.5	-55.8	-60.9	-99.6	-8.3	112.9	H91 Y310 L311 D467 N470 E471	H91-R121 HydrophobicContact CB-CB 4.18Å; H91-R121 HydrophobicContact CB-CG 4.32Å; R121-Y310 HydrophobicContact CB-CE2 4.09Å; R121-Y310 HydrophobicContact CG-CE2 4.29Å; R121-Y310 WeakPolarHBondContact CG-OH 3.39Å; R121-Y310 PolarHBondContact NH1-OH 3.4Å; R121-L311 HydrophobicContact CB-CD2 3.61Å; R121-L311 HydrophobicContact CG-CD2 4.48Å; R121-D467 IonicContact CZ-OD1 3.24Å; R121-D467 IonicContact NH2-OD1 3.4Å; R121-D467 PolarHBondContact NH2-OD1 2.83Å; R121-D467 IonicContact NH2-OD2 3.56Å; R121-D467 PolarHBondContact NH2-OD2 3.02Å; R121-N470 PolarHBondContact NH1-O 3.09Å; R121-E471 IonicContact NH1-OE1 2.64Å; R121-E471 PolarHBondContact NH1-OE1 2.92Å
122	G	94.7	Very high	98.3	Very high	16 Å²	16	5.9 Å²	5.9	17%	0.165	3%	0.028	C	C	.	.	S	Bend	trans	-74.7	164.5	167.8	0	0	0	0	0	112.3	H91 D120 S125	H91-G122 WeakPolarHBondContact O-CA 3.39Å; H91-G122 PolarHBondContact O-N 3.07Å; D120-G122 PolarHBondContact O-N 3.21Å; G122-S125 PolarHBondContact O-OG 3.17Å
123	Y	97.8	Very high	98.3	Very high	54 Å²	54	5.9 Å²	5.9	21%	0.212	3%	0.028	C	C	.	.	S	Bend	trans	-105.5	15.4	-172.4	-68.1	-17.3	0	0	0	114.6	T160 K168 W341 P343 N344 F345	Y123-T160 HydrophobicContact CE1-CG2 4.07Å; Y123-K168 PolarHBondContact O-NZ 2.81Å; Y123-W341 HydrophobicContact CD2-CB 3.45Å; Y123-W341 VanDerWaalsContact CD2-CB 3.45Å; Y123-W341 HydrophobicContact CD2-CG 4.47Å; Y123-W341 HydrophobicContact CE2-CB 4.18Å; Y123-W341 HydrophobicContact CG-CB 4.22Å; Y123-P343 WeakPolarHBondContact OH-CA 3.46Å; Y123-N344 PolarHBondContact OH-N 3.21Å; Y123-F345 HydrophobicContact CD1-CE1 4.36Å; Y123-F345 HydrophobicContact CD1-CE2 4.05Å; Y123-F345 AromaticContact CD1-CZ 3.74Å; Y123-F345 HydrophobicContact CD1-CZ 3.74Å; Y123-F345 HydrophobicContact CG-CE1 4.08Å; Y123-F345 AromaticContact CG-CZ 3.91Å; Y123-F345 HydrophobicContact CG-CZ 3.91Å; Y123-F345 WeakPolarHBondContact O-CE1 3.46Å
124	F	98.7	Very high	98.3	Very high	7 Å²	7	5.9 Å²	5.9	3%	0.031	3%	0.028	C	C	.	.			trans	-127.8	35.9	175.7	-48.3	-85.2	0	0	0	111.8	E52 G92 F94 F95 E127 C128 H338 P339 W341	E52-F124 HydrophobicContact CG-CE1 4.42Å; G92-F124 CarbonylContact O-C 3.57Å; G92-F124 WeakPolarHBondContact O-CA 3.43Å; G92-F124 VanDerWaalsContact O-CB 3.29Å; G92-F124 WeakPolarHBondContact O-CB 3.13Å; G92-F124 PolarHBondContact O-N 3.45Å; G92-F124 VanDerWaalsContact O-N 3.1Å; F94-F124 HydrophobicContact CB-CB 3.49Å; F94-F124 VanDerWaalsContact CB-CB 3.49Å; F94-F124 HydrophobicContact CB-CG 4.33Å; F95-F124 HydrophobicContact CD2-CD2 4.05Å; F95-F124 HydrophobicContact CD2-CE2 4.09Å; F95-F124 HydrophobicContact CD2-CG 4.35Å; F95-F124 HydrophobicContact CD2-CZ 4.41Å; F95-F124 AromaticContact CE2-CD1 3.86Å; F95-F124 HydrophobicContact CE2-CD1 3.86Å; F95-F124 AromaticContact CE2-CD2 4Å; F95-F124 HydrophobicContact CE2-CD2 4Å; F95-F124 AromaticContact CE2-CE1 3.75Å; F95-F124 HydrophobicContact CE2-CE1 3.75Å; F95-F124 AromaticContact CE2-CE2 3.89Å; F95-F124 HydrophobicContact CE2-CE2 3.89Å; F95-F124 AromaticContact CE2-CG 3.99Å; F95-F124 HydrophobicContact CE2-CG 3.99Å; F95-F124 AromaticContact CE2-CZ 3.76Å; F95-F124 HydrophobicContact CE2-CZ 3.76Å; F124-E127 VanDerWaalsContact C-OE2 3.29Å; F124-E127 WeakPolarHBondContact CA-OE2 3.35Å; F124-E127 HydrophobicContact CB-CB 4.48Å; F124-E127 PolarHBondContact O-N 3.03Å; F124-C128 PolarHBondContact O-N 3.36Å; F124-C128 VanDerWaalsContact O-N 3.1Å; F124-C128 PolarHBondContact O-SG 2.76Å; F124-H338 HydrophobicContact CE2-CB 3.92Å; F124-H338 AromaticContact CE2-ND1 3.85Å; F124-H338 HydrophobicContact CZ-CB 4.46Å; F124-P339 HydrophobicContact CE1-CB 4.48Å; F124-P339 HydrophobicContact CE1-CG 4.45Å; F124-P339 HydrophobicContact CZ-CB 4Å; F124-P339 HydrophobicContact CZ-CG 4.17Å; F124-P339 WeakPolarHBondContact CZ-O 3.42Å; F124-W341 AromaticContact CE1-CD1 3.9Å; F124-W341 AromaticContact CE1-NE1 3.81Å; F124-W341 AromaticContact CZ-CD1 3.76Å
125	S	98.9	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.8	-39.8	180	-59.8	0	0	0	0	112.1	G92 V119 D120 G122 E127 C128 V129 F161 E164	G92-S125 WeakPolarHBondContact CA-OG 2.96Å; V119-S125 WeakPolarHBondContact CA-OG 3.24Å; D120-S125 PolarHBondContact N-OG 2.94Å; G122-S125 PolarHBondContact O-OG 3.17Å; S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact O-N 2.82Å; S125-C128 WeakPolarHBondContact O-CB 3.31Å; S125-C128 PolarHBondContact O-N 3.13Å; S125-V129 WeakPolarHBondContact O-CG2 3.21Å; S125-V129 PolarHBondContact O-N 2.76Å; S125-F161 VanDerWaalsContact CB-CD2 3.48Å; S125-E164 VanDerWaalsContact CB-OE2 3.23Å; S125-E164 WeakPolarHBondContact CB-OE2 3.05Å; S125-E164 PolarHBondContact N-OE1 2.93Å; S125-E164 PolarHBondContact N-OE2 3.25Å; S125-E164 PolarHBondContact OG-OE2 3.36Å
126	I	98.9	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.5	-34.7	-179.6	-167.3	57.3	0	0	0	111.6	C128 V129 L130 F161 E164 K168 Y169 V173	I126-C128 VanDerWaalsContact C-N 3.34Å; I126-V129 PolarHBondContact O-N 3.37Å; I126-L130 HydrophobicContact CD1-CG 4.25Å; I126-L130 HydrophobicContact CG1-CD1 4.09Å; I126-L130 HydrophobicContact CG1-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.48Å; I126-L130 VanDerWaalsContact O-CG 3.24Å; I126-L130 WeakPolarHBondContact O-CG 3.01Å; I126-L130 PolarHBondContact O-N 3.33Å; I126-F161 HydrophobicContact CB-CE2 4.17Å; I126-F161 HydrophobicContact CD1-CE2 4.21Å; I126-F161 HydrophobicContact CD1-CZ 4.18Å; I126-E164 HydrophobicContact CG2-CG 4.3Å; I126-E164 WeakPolarHBondContact CG2-OE1 3.5Å; I126-E164 PolarHBondContact N-OE1 3.17Å; I126-K168 HydrophobicContact CG2-CD 3.59Å; I126-Y169 HydrophobicContact CB-CE2 4.38Å; I126-Y169 HydrophobicContact CG1-CD2 3.87Å; I126-Y169 HydrophobicContact CG1-CE2 3.69Å; I126-Y169 HydrophobicContact CG2-CD2 4.18Å; I126-Y169 HydrophobicContact CG2-CE2 3.69Å; I126-V173 HydrophobicContact CD1-CG1 3.99Å
127	E	98.9	Very high	98.3	Very high	5 Å²	5	7.5 Å²	7.5	2%	0.023	4%	0.037	C	C	.	.	H	α-helix	trans	-65	-39.7	172.7	-65.2	81.4	177.7	0	0	110.8	F49 F94 F124 S125 Y131 K168	F49-E127 HydrophobicContact CB-CB 4.32Å; F49-E127 HydrophobicContact CB-CG 4.13Å; F49-E127 HydrophobicContact CD1-CG 3.97Å; F49-E127 HydrophobicContact CD2-CB 4.21Å; F49-E127 HydrophobicContact CD2-CG 4.44Å; F49-E127 HydrophobicContact CE1-CG 4.48Å; F49-E127 HydrophobicContact CG-CB 4.17Å; F49-E127 HydrophobicContact CG-CG 3.96Å; F94-E127 HydrophobicContact CB-CB 4.23Å; F94-E127 HydrophobicContact CD1-CB 4.28Å; F94-E127 HydrophobicContact CD2-CB 3.7Å; F94-E127 HydrophobicContact CE2-CB 4.12Å; F94-E127 HydrophobicContact CG-CB 3.79Å; F124-E127 VanDerWaalsContact C-OE2 3.29Å; F124-E127 WeakPolarHBondContact CA-OE2 3.35Å; F124-E127 HydrophobicContact CB-CB 4.48Å; F124-E127 PolarHBondContact O-N 3.03Å; S125-E127 VanDerWaalsContact C-N 3.34Å; S125-E127 PolarHBondContact O-N 2.82Å; E127-Y131 WeakPolarHBondContact O-CB 3.48Å; E127-Y131 PolarHBondContact O-N 2.82Å; E127-K168 IonicContact OE1-NZ 2.81Å; E127-K168 PolarHBondContact OE1-NZ 3.21Å; E127-K168 IonicContact OE2-NZ 3.81Å; E127-K168 PolarHBondContact OE2-NZ 3.36Å
128	C	98.9	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-51.6	172.6	-66.2	0	0	0	0	111.5	F94 L97 F124 S125 I126 Y131 L132	F94-C128 WeakPolarHBondContact CA-SG 3.38Å; L97-C128 HydrophobicContact CD2-CB 4.34Å; F124-C128 PolarHBondContact O-N 3.36Å; F124-C128 VanDerWaalsContact O-N 3.1Å; F124-C128 PolarHBondContact O-SG 2.76Å; S125-C128 WeakPolarHBondContact O-CB 3.31Å; S125-C128 PolarHBondContact O-N 3.13Å; I126-C128 VanDerWaalsContact C-N 3.34Å; C128-Y131 PolarHBondContact O-N 2.83Å; C128-L132 VanDerWaalsContact O-CB 3.32Å; C128-L132 WeakPolarHBondContact O-CB 3.22Å; C128-L132 VanDerWaalsContact O-CG 3.24Å; C128-L132 WeakPolarHBondContact O-CG 3.48Å; C128-L132 PolarHBondContact O-N 3.13Å
129	V	98.9	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.3	-52.1	179.5	171.5	0	0	0	0	110.8	V119 S125 I126 Y131 L132 W133 F161 F181	V119-V129 HydrophobicContact CG1-CG2 3.49Å; V119-V129 VanDerWaalsContact CG1-CG2 3.49Å; S125-V129 WeakPolarHBondContact O-CG2 3.21Å; S125-V129 PolarHBondContact O-N 2.76Å; I126-V129 PolarHBondContact O-N 3.37Å; V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 PolarHBondContact O-N 2.92Å; V129-L132 PolarHBondContact O-N 2.95Å; V129-W133 HydrophobicContact CB-CE3 4.43Å; V129-W133 HydrophobicContact CG1-CD2 4.1Å; V129-W133 HydrophobicContact CG1-CE3 3.87Å; V129-W133 HydrophobicContact CG1-CZ3 4.09Å; V129-W133 VanDerWaalsContact O-CB 3.3Å; V129-W133 WeakPolarHBondContact O-CB 3.08Å; V129-W133 PolarHBondContact O-N 2.75Å; V129-F161 HydrophobicContact CG2-CE2 4.48Å; V129-F161 HydrophobicContact CG2-CZ 4.19Å; V129-F181 HydrophobicContact CG1-CE1 4.38Å; V129-F181 HydrophobicContact CG2-CE1 4.16Å; V129-F181 HydrophobicContact CG2-CZ 3.92Å
130	L	98.9	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.7	-38.9	-178.5	-69.3	177.1	0	0	0	112.1	F49 V55 A60 I63 I64 I126 A134 Y169	F49-L130 HydrophobicContact CE1-CD1 4.4Å; F49-L130 HydrophobicContact CE2-CB 3.78Å; F49-L130 HydrophobicContact CE2-CD1 4.49Å; F49-L130 HydrophobicContact CZ-CB 3.81Å; F49-L130 HydrophobicContact CZ-CD1 3.71Å; F49-L130 HydrophobicContact CZ-CG 4.43Å; V55-L130 HydrophobicContact CG2-CD1 4.12Å; A60-L130 HydrophobicContact CB-CD1 4.28Å; A60-L130 HydrophobicContact CB-CD2 4.01Å; I63-L130 HydrophobicContact CB-CD2 4.17Å; I63-L130 HydrophobicContact CG2-CD2 4.11Å; I63-L130 WeakPolarHBondContact CG2-O 3.16Å; I64-L130 HydrophobicContact CD1-CD2 4.03Å; I64-L130 HydrophobicContact CG1-CD2 3.89Å; I126-L130 HydrophobicContact CD1-CG 4.25Å; I126-L130 HydrophobicContact CG1-CD1 4.09Å; I126-L130 HydrophobicContact CG1-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.48Å; I126-L130 VanDerWaalsContact O-CG 3.24Å; I126-L130 WeakPolarHBondContact O-CG 3.01Å; I126-L130 PolarHBondContact O-N 3.33Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.25Å; L130-A134 PolarHBondContact O-N 3.26Å; L130-Y169 HydrophobicContact CD1-CE2 4.35Å; L130-Y169 WeakPolarHBondContact CD1-OH 3.27Å
131	Y	98.8	Very high	98.1	Very high	13 Å²	13	18.3 Å²	18.3	5%	0.051	10%	0.1	C	C	.	.	H	α-helix	trans	-72.5	-45.4	-180	-166.7	-108.1	0	0	0	112.8	I42 L45 R46 F94 L97 M98 F101 E127 C128 V129 A134 L135	I42-Y131 HydrophobicContact CD1-CD2 3.71Å; I42-Y131 HydrophobicContact CD1-CE2 3.29Å; I42-Y131 HydrophobicContact CG1-CE2 3.61Å; L45-Y131 HydrophobicContact CD2-CD2 4.33Å; R46-Y131 HydrophobicContact CB-CE2 3.67Å; R46-Y131 HydrophobicContact CG-CE2 4.46Å; F94-Y131 HydrophobicContact CE2-CD1 4.28Å; F94-Y131 AromaticContact CE2-CG 3.94Å; F94-Y131 HydrophobicContact CE2-CG 3.94Å; F94-Y131 HydrophobicContact CZ-CG 4.48Å; L97-Y131 HydrophobicContact CD2-CD1 4.47Å; M98-Y131 HydrophobicContact CE-CD1 3.68Å; M98-Y131 HydrophobicContact CE-CE1 3.55Å; M98-Y131 HydrophobicContact CE-CG 4.38Å; M98-Y131 HydrophobicContact SD-CE1 4.37Å; F101-Y131 AromaticContact CD2-CE1 3.99Å; F101-Y131 HydrophobicContact CD2-CE1 3.99Å; F101-Y131 AromaticContact CE2-CD1 3.98Å; F101-Y131 HydrophobicContact CE2-CD1 3.98Å; F101-Y131 AromaticContact CE2-CE1 3.62Å; F101-Y131 HydrophobicContact CE2-CE1 3.62Å; E127-Y131 WeakPolarHBondContact O-CB 3.48Å; E127-Y131 PolarHBondContact O-N 2.82Å; C128-Y131 PolarHBondContact O-N 2.83Å; V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 PolarHBondContact O-N 2.92Å; Y131-A134 PolarHBondContact O-N 3.05Å; Y131-L135 HydrophobicContact CD1-CD1 3.96Å; Y131-L135 HydrophobicContact CE1-CD1 3.7Å; Y131-L135 HydrophobicContact CE1-CG 4.36Å; Y131-L135 WeakPolarHBondContact O-CG 3.19Å; Y131-L135 PolarHBondContact O-N 3.14Å
132	L	98.9	Very high	98.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-38.8	177.3	-68.8	173.8	0	0	0	111.8	L97 F101 F114 Y118 C128 V129 L135 K136 F143 L145	L97-L132 HydrophobicContact CD1-CD2 4.31Å; L97-L132 HydrophobicContact CD2-CD1 4.41Å; L97-L132 HydrophobicContact CD2-CD2 4.14Å; L97-L132 HydrophobicContact CD2-CG 4.1Å; F101-L132 HydrophobicContact CZ-CD2 4Å; F114-L132 HydrophobicContact CE1-CD2 4.14Å; F114-L132 HydrophobicContact CE2-CD2 4.14Å; F114-L132 HydrophobicContact CZ-CD2 3.91Å; Y118-L132 HydrophobicContact CD1-CD1 3.4Å; Y118-L132 HydrophobicContact CE1-CD1 3.9Å; Y118-L132 HydrophobicContact CG-CD1 4.11Å; C128-L132 VanDerWaalsContact O-CB 3.32Å; C128-L132 WeakPolarHBondContact O-CB 3.22Å; C128-L132 VanDerWaalsContact O-CG 3.24Å; C128-L132 WeakPolarHBondContact O-CG 3.48Å; C128-L132 PolarHBondContact O-N 3.13Å; V129-L132 PolarHBondContact O-N 2.95Å; L132-L135 PolarHBondContact O-N 3.31Å; L132-K136 PolarHBondContact O-N 2.81Å; L132-F143 HydrophobicContact CD2-CE1 3.96Å; L132-F143 HydrophobicContact CD2-CZ 3.67Å; L132-L145 HydrophobicContact CB-CD1 4.35Å; L132-L145 HydrophobicContact CB-CD2 4.37Å
133	W	98.8	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-38.5	174.4	-91.7	-121.1	0	0	0	111.7	I63 L71 Y118 V129 L135 K136 I137 L145 A180 F181 L184	I63-W133 HydrophobicContact CG2-CB 3.64Å; L71-W133 HydrophobicContact CD1-CZ2 3.84Å; Y118-W133 HydrophobicContact CD2-CH2 4.25Å; Y118-W133 HydrophobicContact CD2-CZ3 4.2Å; Y118-W133 HydrophobicContact CE2-CH2 4.38Å; Y118-W133 HydrophobicContact CE2-CZ3 4.47Å; V129-W133 HydrophobicContact CB-CE3 4.43Å; V129-W133 HydrophobicContact CG1-CD2 4.1Å; V129-W133 HydrophobicContact CG1-CE3 3.87Å; V129-W133 HydrophobicContact CG1-CZ3 4.09Å; V129-W133 VanDerWaalsContact O-CB 3.3Å; V129-W133 WeakPolarHBondContact O-CB 3.08Å; V129-W133 PolarHBondContact O-N 2.75Å; W133-L135 VanDerWaalsContact C-N 3.33Å; W133-L135 PolarHBondContact O-N 3.11Å; W133-K136 WeakPolarHBondContact O-CB 3.49Å; W133-K136 PolarHBondContact O-N 2.78Å; W133-I137 VanDerWaalsContact O-CG1 3.28Å; W133-I137 WeakPolarHBondContact O-CG1 3.15Å; W133-I137 PolarHBondContact O-N 2.84Å; W133-L145 HydrophobicContact CD2-CD1 4.42Å; W133-L145 HydrophobicContact CE3-CD1 3.92Å; W133-L145 HydrophobicContact CH2-CD1 4.42Å; W133-L145 HydrophobicContact CZ3-CD1 3.93Å; W133-A180 HydrophobicContact CZ2-CB 4.21Å; W133-F181 AromaticContact CH2-CD1 3.83Å; W133-F181 HydrophobicContact CH2-CD1 3.83Å; W133-F181 AromaticContact CH2-CE1 3.58Å; W133-F181 HydrophobicContact CH2-CE1 3.58Å; W133-F181 AromaticContact CZ2-CD1 3.87Å; W133-F181 HydrophobicContact CZ2-CD1 3.87Å; W133-F181 AromaticContact CZ2-CE1 3.9Å; W133-F181 HydrophobicContact CZ2-CE1 3.9Å; W133-F181 HydrophobicContact CZ3-CE1 4.38Å; W133-L184 HydrophobicContact CH2-CD1 4.22Å; W133-L184 HydrophobicContact CH2-CD2 4.13Å; W133-L184 HydrophobicContact CZ2-CD2 4.28Å
134	A	98.8	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-40.3	173.5	0	0	0	0	0	111.9	P40 I42 L45 I63 L130 Y131 I137 L138	P40-A134 HydrophobicContact CB-CB 3.94Å; P40-A134 HydrophobicContact CG-CB 4.18Å; I42-A134 HydrophobicContact CD1-CB 3.89Å; L45-A134 HydrophobicContact CD2-CB 3.68Å; I63-A134 HydrophobicContact CG2-CB 4.41Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.25Å; L130-A134 PolarHBondContact O-N 3.26Å; Y131-A134 PolarHBondContact O-N 3.05Å; A134-I137 PolarHBondContact O-N 2.96Å; A134-L138 WeakPolarHBondContact O-CB 3.39Å; A134-L138 PolarHBondContact O-N 3.03Å
135	L	98.7	Very high	98.6	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-40.1	172.4	-72.5	172.5	0	0	0	112.3	I42 F101 P107 Y131 L132 W133 I137 L138 H139 F143	I42-L135 HydrophobicContact CD1-CD2 3.82Å; I42-L135 HydrophobicContact CD1-CG 3.89Å; I42-L135 HydrophobicContact CG1-CD2 3.72Å; I42-L135 HydrophobicContact CG1-CG 4.33Å; F101-L135 HydrophobicContact CE1-CD1 4.08Å; F101-L135 HydrophobicContact CE2-CD1 3.88Å; F101-L135 HydrophobicContact CZ-CD1 3.46Å; F101-L135 VanDerWaalsContact CZ-CD1 3.46Å; P107-L135 HydrophobicContact CB-CD2 3.93Å; P107-L135 HydrophobicContact CG-CD1 4.12Å; P107-L135 HydrophobicContact CG-CD2 4.05Å; Y131-L135 HydrophobicContact CD1-CD1 3.96Å; Y131-L135 HydrophobicContact CE1-CD1 3.7Å; Y131-L135 HydrophobicContact CE1-CG 4.36Å; Y131-L135 WeakPolarHBondContact O-CG 3.19Å; Y131-L135 PolarHBondContact O-N 3.14Å; L132-L135 PolarHBondContact O-N 3.31Å; W133-L135 VanDerWaalsContact C-N 3.33Å; W133-L135 PolarHBondContact O-N 3.11Å; L135-I137 VanDerWaalsContact C-N 3.31Å; L135-I137 PolarHBondContact O-N 3.45Å; L135-L138 PolarHBondContact O-N 3.36Å; L135-H139 WeakPolarHBondContact O-CB 3.29Å; L135-H139 PolarHBondContact O-N 2.85Å; L135-F143 HydrophobicContact CB-CD1 3.98Å; L135-F143 HydrophobicContact CB-CD2 4.2Å; L135-F143 HydrophobicContact CB-CE1 3.77Å; L135-F143 HydrophobicContact CB-CE2 4.02Å; L135-F143 HydrophobicContact CB-CG 4.19Å; L135-F143 HydrophobicContact CB-CZ 3.8Å; L135-F143 HydrophobicContact CD1-CE1 4.38Å; L135-F143 HydrophobicContact CD1-CE2 3.78Å; L135-F143 HydrophobicContact CD1-CZ 3.62Å; L135-F143 HydrophobicContact CG-CE2 4.46Å; L135-F143 HydrophobicContact CG-CZ 4.36Å
136	K	98.7	Very high	98.6	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-40.7	174.3	179.6	57.5	176.8	175.7	0	112	L70 L71 E74 L132 W133 H139 P140 F143 L145	L70-K136 HydrophobicContact CD1-CG 4.4Å; L71-K136 HydrophobicContact CD2-CG 4.48Å; E74-K136 VanDerWaalsContact CD-NZ 3.3Å; E74-K136 IonicContact OE1-NZ 3.92Å; E74-K136 PolarHBondContact OE1-NZ 3.05Å; E74-K136 IonicContact OE2-NZ 3.57Å; E74-K136 PolarHBondContact OE2-NZ 3.28Å; L132-K136 PolarHBondContact O-N 2.81Å; W133-K136 WeakPolarHBondContact O-CB 3.49Å; W133-K136 PolarHBondContact O-N 2.78Å; K136-H139 CarbonylContact O-C 3.54Å; K136-P140 PolarHBondContact NZ-O 3.24Å; K136-P140 VanDerWaalsContact O-CA 3.26Å; K136-P140 WeakPolarHBondContact O-CA 3.45Å; K136-F143 HydrophobicContact CB-CD1 4.43Å; K136-F143 WeakPolarHBondContact CD-O 3.45Å; K136-F143 PolarHBondContact NZ-O 3.06Å; K136-L145 HydrophobicContact CB-CD1 4.29Å
137	I	98.5	Very high	98.6	Very high	31 Å²	31	16.7 Å²	16.7	16%	0.159	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-42	175.8	-66.2	161.6	0	0	0	111.2	P40 I63 L70 W133 A134 L135	P40-I137 HydrophobicContact CG-CB 4.06Å; P40-I137 HydrophobicContact CG-CD1 4.37Å; P40-I137 HydrophobicContact CG-CG2 3.86Å; I63-I137 HydrophobicContact CG2-CD1 4.44Å; L70-I137 HydrophobicContact CD1-CB 4.44Å; L70-I137 HydrophobicContact CD1-CG1 4.18Å; W133-I137 VanDerWaalsContact O-CG1 3.28Å; W133-I137 WeakPolarHBondContact O-CG1 3.15Å; W133-I137 PolarHBondContact O-N 2.84Å; A134-I137 PolarHBondContact O-N 2.96Å; L135-I137 VanDerWaalsContact C-N 3.31Å; L135-I137 PolarHBondContact O-N 3.45Å
138	L	98.1	Very high	98.6	Very high	44 Å²	44	16.4 Å²	16.4	23%	0.23	9%	0.091	C	C	.	.	H	α-helix	trans	-74.9	-30.9	-177.6	-169.2	63	0	0	0	113	E39 I42 A134 L135 P140	E39-L138 HydrophobicContact CB-CD1 4.15Å; E39-L138 HydrophobicContact CG-CD1 4.43Å; I42-L138 HydrophobicContact CB-CD2 4.3Å; I42-L138 HydrophobicContact CG2-CD2 4.19Å; A134-L138 WeakPolarHBondContact O-CB 3.39Å; A134-L138 PolarHBondContact O-N 3.03Å; L135-L138 PolarHBondContact O-N 3.36Å; L138-P140 VanDerWaalsContact C-CD 3.45Å
139	H	98.1	Very high	98.6	Very high	32 Å²	32	16.6 Å²	16.6	15%	0.148	9%	0.092	C	C	.	.			trans	-131.5	54.7	-171.6	-59	-47.6	0	0	0	112.3	L135 K136 T141 T142 F143	L135-H139 WeakPolarHBondContact O-CB 3.29Å; L135-H139 PolarHBondContact O-N 2.85Å; K136-H139 CarbonylContact O-C 3.54Å; H139-T141 PolarHBondContact O-N 2.89Å; H139-T141 VanDerWaalsContact O-N 3.07Å; H139-T142 PolarHBondContact O-N 2.93Å; H139-T142 VanDerWaalsContact O-N 3.12Å; H139-F143 HydrophobicContact CB-CB 3.81Å; H139-F143 VanDerWaalsContact O-CB 3.28Å; H139-F143 WeakPolarHBondContact O-CB 3.3Å; H139-F143 PolarHBondContact O-N 2.76Å
140	P	97.8	Very high	98.6	Very high	49 Å²	49	16.8 Å²	16.8	32%	0.318	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.6	-168.6	23.8	-34.7	0	0	0	114.2	L70 K136 L138	L70-P140 HydrophobicContact CD1-CB 4.22Å; L70-P140 HydrophobicContact CD2-CB 4.35Å; K136-P140 PolarHBondContact NZ-O 3.24Å; K136-P140 VanDerWaalsContact O-CA 3.26Å; K136-P140 WeakPolarHBondContact O-CA 3.45Å; L138-P140 VanDerWaalsContact C-CD 3.45Å
141	T	97.8	Very high	98.6	Very high	103 Å²	103	16.8 Å²	16.8	63%	0.632	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	2.5	-177.5	58.8	0	0	0	0	114.1	H139 Y144	H139-T141 PolarHBondContact O-N 2.89Å; H139-T141 VanDerWaalsContact O-N 3.07Å; T141-Y144 PolarHBondContact O-OH 2.94Å
142	T	98.4	Very high	98.6	Very high	39 Å²	39	16.4 Å²	16.4	24%	0.239	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-4.4	178	58.3	0	0	0	0	113.4	R111 Y112 H139	R111-T142 CarbonylContact C-O 3.36Å; R111-T142 WeakPolarHBondContact CA-O 3.38Å; R111-T142 WeakPolarHBondContact CG-O 3.44Å; Y112-T142 PolarHBondContact N-O 2.81Å; H139-T142 PolarHBondContact O-N 2.93Å; H139-T142 VanDerWaalsContact O-N 3.12Å
143	F	98.7	Very high	98.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115.3	179.7	-158.7	-89.9	0	0	0	109.9	F101 P107 Y112 F114 L132 L135 K136 H139 L145	F101-F143 AromaticContact CE1-CE2 3.92Å; F101-F143 HydrophobicContact CE1-CE2 3.92Å; F101-F143 HydrophobicContact CE1-CZ 4.22Å; F101-F143 HydrophobicContact CZ-CE2 4.18Å; F101-F143 HydrophobicContact CZ-CZ 4.04Å; P107-F143 HydrophobicContact CB-CD2 4.13Å; P107-F143 HydrophobicContact CB-CE2 4.19Å; P107-F143 HydrophobicContact CG-CE2 4.25Å; Y112-F143 HydrophobicContact CD2-CD2 4.17Å; Y112-F143 HydrophobicContact CD2-CE2 4.05Å; Y112-F143 HydrophobicContact CG-CD2 4.21Å; Y112-F143 AromaticContact CG-CE2 3.96Å; Y112-F143 HydrophobicContact CG-CE2 3.96Å; F114-F143 HydrophobicContact CD2-CE1 4.36Å; F114-F143 HydrophobicContact CD2-CZ 4.05Å; F114-F143 HydrophobicContact CE2-CE1 4.19Å; F114-F143 AromaticContact CE2-CE2 3.86Å; F114-F143 HydrophobicContact CE2-CE2 3.86Å; F114-F143 AromaticContact CE2-CZ 3.44Å; F114-F143 HydrophobicContact CE2-CZ 3.44Å; F114-F143 VanDerWaalsContact CE2-CZ 3.44Å; F114-F143 HydrophobicContact CZ-CZ 4.22Å; L132-F143 HydrophobicContact CD2-CE1 3.96Å; L132-F143 HydrophobicContact CD2-CZ 3.67Å; L135-F143 HydrophobicContact CB-CD1 3.98Å; L135-F143 HydrophobicContact CB-CD2 4.2Å; L135-F143 HydrophobicContact CB-CE1 3.77Å; L135-F143 HydrophobicContact CB-CE2 4.02Å; L135-F143 HydrophobicContact CB-CG 4.19Å; L135-F143 HydrophobicContact CB-CZ 3.8Å; L135-F143 HydrophobicContact CD1-CE1 4.38Å; L135-F143 HydrophobicContact CD1-CE2 3.78Å; L135-F143 HydrophobicContact CD1-CZ 3.62Å; L135-F143 HydrophobicContact CG-CE2 4.46Å; L135-F143 HydrophobicContact CG-CZ 4.36Å; K136-F143 HydrophobicContact CB-CD1 4.43Å; K136-F143 WeakPolarHBondContact CD-O 3.45Å; K136-F143 PolarHBondContact NZ-O 3.06Å; H139-F143 HydrophobicContact CB-CB 3.81Å; H139-F143 VanDerWaalsContact O-CB 3.28Å; H139-F143 WeakPolarHBondContact O-CB 3.3Å; H139-F143 PolarHBondContact O-N 2.76Å; F143-L145 HydrophobicContact CD1-CD2 4.35Å; F143-L145 HydrophobicContact CD1-CG 4.45Å; F143-L145 HydrophobicContact CE1-CD2 3.81Å; F143-L145 HydrophobicContact CE1-CG 4.32Å
144	Y	98.9	Very high	98.5	Very high	30 Å²	30	22 Å²	22	12%	0.118	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.5	-171.2	-56.4	-79.1	0	0	0	111.1	L78 I80 R111 Y112 L113 F114 T141	L78-Y144 HydrophobicContact CD1-CD1 3.84Å; L78-Y144 HydrophobicContact CD1-CG 4.19Å; I80-Y144 HydrophobicContact CD1-CD1 4.15Å; I80-Y144 HydrophobicContact CD1-CD2 3.55Å; I80-Y144 HydrophobicContact CD1-CE2 4.08Å; I80-Y144 HydrophobicContact CD1-CG 3.58Å; I80-Y144 HydrophobicContact CG1-CD1 4.44Å; I80-Y144 HydrophobicContact CG1-CD2 4Å; I80-Y144 HydrophobicContact CG1-CE1 4.41Å; I80-Y144 HydrophobicContact CG1-CE2 3.98Å; I80-Y144 HydrophobicContact CG1-CG 4.21Å; I80-Y144 HydrophobicContact CG2-CD2 4.14Å; I80-Y144 HydrophobicContact CG2-CE2 3.91Å; R111-Y144 HydrophobicContact CG-CD2 4.38Å; R111-Y144 HydrophobicContact CG-CE2 4.03Å; Y112-Y144 WeakPolarHBondContact O-CD2 3.44Å; Y112-Y144 PolarHBondContact O-N 2.86Å; L113-Y144 WeakPolarHBondContact CA-O 3.03Å; F114-Y144 PolarHBondContact N-O 3Å; T141-Y144 PolarHBondContact O-OH 2.94Å
145	L	98.9	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.9	-176.9	-61.6	176.8	0	0	0	108	L71 F114 Y118 L132 W133 K136 F143 L184 P185	L71-L145 HydrophobicContact CD2-CB 4.34Å; F114-L145 HydrophobicContact CB-CD2 3.89Å; F114-L145 HydrophobicContact CD2-CD2 3.96Å; F114-L145 HydrophobicContact CG-CD2 4.07Å; Y118-L145 HydrophobicContact CE1-CD2 3.99Å; Y118-L145 WeakPolarHBondContact OH-CA 3.43Å; Y118-L145 WeakPolarHBondContact OH-CB 3.29Å; L132-L145 HydrophobicContact CB-CD1 4.35Å; L132-L145 HydrophobicContact CB-CD2 4.37Å; W133-L145 HydrophobicContact CD2-CD1 4.42Å; W133-L145 HydrophobicContact CE3-CD1 3.92Å; W133-L145 HydrophobicContact CH2-CD1 4.42Å; W133-L145 HydrophobicContact CZ3-CD1 3.93Å; K136-L145 HydrophobicContact CB-CD1 4.29Å; F143-L145 HydrophobicContact CD1-CD2 4.35Å; F143-L145 HydrophobicContact CD1-CG 4.45Å; F143-L145 HydrophobicContact CE1-CD2 3.81Å; F143-L145 HydrophobicContact CE1-CG 4.32Å; L145-L184 HydrophobicContact CB-CD2 3.72Å; L145-P185 WeakPolarHBondContact O-CD 3.22Å
146	L	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.			trans	-94.9	168.1	169.7	-57.3	-172.2	0	0	0	110.9	L78 L113 F114 L115 Y118 P185 A188	L78-L146 HydrophobicContact CD1-CD2 3.79Å; L78-L146 HydrophobicContact CG-CD2 4.42Å; L113-L146 HydrophobicContact CD1-CD1 4.15Å; L113-L146 HydrophobicContact CD1-CD2 4.17Å; L113-L146 HydrophobicContact CD1-CG 3.81Å; F114-L146 WeakPolarHBondContact O-CB 3.5Å; F114-L146 WeakPolarHBondContact O-CG 3.38Å; F114-L146 PolarHBondContact O-N 2.87Å; L115-L146 HydrophobicContact CD2-CD1 3.78Å; Y118-L146 VanDerWaalsContact CE2-O 3.32Å; Y118-L146 WeakPolarHBondContact CE2-O 3.25Å; Y118-L146 PolarHBondContact OH-N 2.9Å; Y118-L146 VanDerWaalsContact OH-N 3.16Å; Y118-L146 PolarHBondContact OH-O 2.99Å; L146-P185 CarbonylContact C-O 3.18Å; L146-P185 WeakPolarHBondContact CA-O 3.36Å; L146-P185 HydrophobicContact CD2-CB 3.91Å; L146-A188 HydrophobicContact CD1-CB 4.45Å; L146-A188 HydrophobicContact CD2-CB 4.38Å
147	R	98.9	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.			trans	-86.8	128.4	172.9	-157.9	173.3	-174.5	168.7	7.7	110.1	E151 F181 D182 L184 P185 L186 R216 R218 M226 L230	R147-E151 HydrophobicContact CG-CB 3.84Å; R147-E151 PolarHBondContact NE-O 2.78Å; R147-E151 PolarHBondContact NH2-O 3.02Å; R147-F181 PolarHBondContact NE-O 2.94Å; R147-D182 IonicContact CZ-OD1 2.66Å; R147-D182 IonicContact NH1-OD1 2.8Å; R147-D182 IonicContact NH2-OD1 3.95Å; R147-D182 PolarHBondContact NH2-OD1 3.45Å; R147-L184 HydrophobicContact CB-CB 3.65Å; R147-L184 HydrophobicContact CB-CD1 4.28Å; R147-L184 HydrophobicContact CG-CB 4.02Å; R147-L184 HydrophobicContact CG-CD1 4.09Å; R147-P185 PolarHBondContact N-O 2.82Å; R147-L186 HydrophobicContact CB-CD2 4.06Å; R147-R216 PolarHBondContact NH1-O 2.9Å; R147-R218 PolarHBondContact NH1-O 2.84Å; R147-M226 VanDerWaalsContact NH1-CE 3.33Å; R147-L230 HydrophobicContact CB-CD2 4.29Å; R147-L230 WeakPolarHBondContact O-CD2 3.32Å
148	G	98.8	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.			trans	-93.4	179.5	164	0	0	0	0	0	112	D117 H150 E151 H198	D117-G148 WeakPolarHBondContact OD1-CA 3.28Å; G148-H150 VanDerWaalsContact C-N 3.3Å; G148-E151 WeakPolarHBondContact CA-OE2 3.48Å; G148-E151 PolarHBondContact N-OE2 2.66Å; G148-H198 VanDerWaalsContact CA-CD2 3.41Å; G148-H198 WeakPolarHBondContact CA-CD2 3.49Å; G148-H198 VanDerWaalsContact CA-CG 3.45Å
149	N	98.7	Very high	97.8	Very high	3 Å²	3	26 Å²	26	2%	0.016	13%	0.129	C	C	.	.	S	Bend	trans	-71.5	-28.7	178	60.7	-62.4	0	0	0	111.9	D117 E151 C152 L155 H198 L230 W231 H280	D117-N149 PolarHBondContact OD1-N 3.37Å; D117-N149 PolarHBondContact OD1-OD1 3.14Å; D117-N149 PolarHBondContact OD2-OD1 3.21Å; N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.37Å; N149-C152 PolarHBondContact O-SG 2.92Å; N149-L155 HydrophobicContact CB-CD2 4.38Å; N149-L155 WeakPolarHBondContact O-CD2 3.15Å; N149-H198 PolarHBondContact N-CD2 3.46Å; N149-H198 VanDerWaalsContact N-CD2 3.29Å; N149-H198 PolarHBondContact OD1-CD2 3.13Å; N149-H198 VanDerWaalsContact OD1-CD2 3.26Å; N149-H198 PolarHBondContact OD1-NE2 3.39Å; N149-L230 HydrophobicContact CB-CB 4.23Å; N149-W231 HydrophobicContact CB-CD2 3.92Å; N149-W231 VanDerWaalsContact CB-CE2 3.5Å; N149-W231 HydrophobicContact CB-CG 4.28Å; N149-W231 HydrophobicContact CB-CH2 4.44Å; N149-W231 HydrophobicContact CB-CZ2 3.8Å; N149-W231 WeakPolarHBondContact ND2-CH2 3.14Å; N149-H280 PolarHBondContact OD1-CE1 3.1Å; N149-H280 PolarHBondContact OD1-ND1 3.22Å
150	H	98.7	Very high	97.7	Very high	5 Å²	5	25 Å²	25	2%	0.023	13%	0.125	C	C	.	.	S	Bend	trans	-74.1	-16.4	178.2	-79.2	-96.7	0	0	0	114.1	H91 D117 V119 D120 G148 C152 T156 F159	H91-H150 AromaticContact CE1-CD2 3.56Å; H91-H150 AromaticContact CE1-CG 3.96Å; H91-H150 AromaticContact CE1-NE2 3.69Å; D117-H150 WeakPolarHBondContact OD1-CB 2.98Å; D117-H150 IonicContact OD1-CD2 2.68Å; D117-H150 IonicContact OD1-CG 3.38Å; D117-H150 PolarHBondContact OD1-N 3.34Å; D117-H150 IonicContact OD2-CD2 3.56Å; D117-H150 PolarHBondContact OD2-CD2 3.34Å; V119-H150 HydrophobicContact CG2-CB 4.11Å; D120-H150 WeakPolarHBondContact CB-ND1 3.19Å; D120-H150 IonicContact OD2-CE1 3.93Å; D120-H150 IonicContact OD2-CG 3.56Å; D120-H150 IonicContact OD2-ND1 3.72Å; D120-H150 PolarHBondContact OD2-ND1 3.25Å; G148-H150 VanDerWaalsContact C-N 3.3Å; H150-C152 PolarHBondContact O-N 3.26Å; H150-T156 WeakPolarHBondContact O-CG2 3.47Å; H150-F159 AromaticContact CE1-CD2 3.67Å; H150-F159 AromaticContact CE1-CE2 3.48Å; H150-F159 VanDerWaalsContact CE1-CE2 3.48Å; H150-F159 WeakPolarHBondContact CE1-CE2 3.45Å; H150-F159 AromaticContact ND1-CD2 3.95Å
151	E	98.9	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-78.3	54.8	175.2	-77	73.9	-127.3	0	0	112.4	D117 Y118 R147 G148 N149 F181 L184	D117-E151 WeakPolarHBondContact CA-OE1 3.26Å; D117-E151 PolarHBondContact N-OE1 3.04Å; D117-E151 PolarHBondContact N-OE2 3.12Å; Y118-E151 VanDerWaalsContact CD2-CD 3.43Å; Y118-E151 HydrophobicContact CD2-CG 3.71Å; Y118-E151 WeakPolarHBondContact CD2-OE1 3.48Å; Y118-E151 HydrophobicContact CE2-CG 4.11Å; Y118-E151 PolarHBondContact N-OE1 2.88Å; R147-E151 HydrophobicContact CG-CB 3.84Å; R147-E151 PolarHBondContact NE-O 2.78Å; R147-E151 PolarHBondContact NH2-O 3.02Å; G148-E151 WeakPolarHBondContact CA-OE2 3.48Å; G148-E151 PolarHBondContact N-OE2 2.66Å; N149-E151 VanDerWaalsContact C-N 3.31Å; N149-E151 PolarHBondContact O-N 3.37Å; E151-F181 HydrophobicContact CB-CB 3.97Å; E151-F181 HydrophobicContact CB-CD1 4.34Å; E151-F181 HydrophobicContact CB-CD2 3.73Å; E151-F181 HydrophobicContact CB-CE2 4.29Å; E151-F181 HydrophobicContact CB-CG 3.76Å; E151-F181 HydrophobicContact CG-CD1 4Å; E151-F181 HydrophobicContact CG-CD2 3.9Å; E151-F181 HydrophobicContact CG-CE1 4.13Å; E151-F181 HydrophobicContact CG-CE2 4.01Å; E151-F181 HydrophobicContact CG-CG 3.89Å; E151-F181 HydrophobicContact CG-CZ 4.14Å; E151-L184 HydrophobicContact CB-CD1 3.97Å; E151-L184 HydrophobicContact CG-CD1 3.75Å
152	C	98.6	Very high	97.7	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.034	9%	0.087	C	C	.	.	S	Bend	trans	-146.8	157.2	178.8	74.7	0	0	0	0	112.3	N149 H150 H154 L155 T156 E219 P220	N149-C152 PolarHBondContact O-SG 2.92Å; H150-C152 PolarHBondContact O-N 3.26Å; C152-H154 VanDerWaalsContact C-N 3.3Å; C152-H154 PolarHBondContact O-N 2.84Å; C152-L155 PolarHBondContact SG-N 3.06Å; C152-T156 WeakPolarHBondContact O-CB 3.22Å; C152-T156 WeakPolarHBondContact O-CG2 3.44Å; C152-T156 PolarHBondContact O-N 3.06Å; C152-T156 PolarHBondContact O-OG1 2.86Å; C152-E219 VanDerWaalsContact CB-OE1 3.29Å; C152-E219 WeakPolarHBondContact CB-OE1 3.37Å; C152-P220 HydrophobicContact CB-CG 3.96Å
153	R	98.5	Very high	97.7	Very high	67 Å²	67	20.6 Å²	20.6	25%	0.253	9%	0.09	S	C	.	.	H	α-helix	trans	-62.4	-41.5	179	-64.9	166.1	-174.3	78.7	-1	110.4	L155 T156 E157 M178 D182 E219	R153-L155 PolarHBondContact O-N 3.07Å; R153-T156 PolarHBondContact O-N 2.76Å; R153-T156 PolarHBondContact O-OG1 3.06Å; R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.37Å; R153-E157 WeakPolarHBondContact O-CG 3.49Å; R153-E157 PolarHBondContact O-N 3.34Å; R153-M178 HydrophobicContact CB-SD 4.17Å; R153-M178 HydrophobicContact CG-CB 4.02Å; R153-M178 HydrophobicContact CG-CG 3.67Å; R153-M178 HydrophobicContact CG-SD 3.49Å; R153-M178 WeakPolarHBondContact CG-SD 3.37Å; R153-D182 IonicContact CZ-OD2 2.85Å; R153-D182 IonicContact NH1-OD1 2.77Å; R153-D182 PolarHBondContact NH1-OD1 3.14Å; R153-D182 IonicContact NH1-OD2 3.95Å; R153-D182 PolarHBondContact NH1-OD2 3.17Å; R153-D182 IonicContact NH2-OD2 3.84Å; R153-D182 PolarHBondContact NH2-OD2 2.61Å; R153-E219 WeakPolarHBondContact CB-OE2 3.46Å; R153-E219 WeakPolarHBondContact CG-OE2 3.39Å; R153-E219 IonicContact CZ-OE2 2.88Å; R153-E219 PolarHBondContact N-OE1 2.99Å; R153-E219 PolarHBondContact N-OE2 2.84Å; R153-E219 IonicContact NH1-OE2 3.56Å; R153-E219 PolarHBondContact NH1-OE2 2.76Å
154	H	96.9	Very high	97.7	Very high	50 Å²	50	20.6 Å²	20.6	23%	0.231	9%	0.09	C	C	.	.	H	α-helix	trans	-58.8	-43.6	-174.4	-173.6	60.4	0	0	0	113.3	C152 E219 P474	C152-H154 VanDerWaalsContact C-N 3.3Å; C152-H154 PolarHBondContact O-N 2.84Å; H154-E219 PolarHBondContact N-OE1 3.08Å; H154-P474 PolarHBondContact CE1-O 2.85Å; H154-P474 PolarHBondContact NE2-O 2.82Å
155	L	97	Very high	97.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-79.2	-45.1	179.4	-92	52.4	0	0	0	111.8	N149 C152 R153 E157 Y158 F159 W231 P474	N149-L155 HydrophobicContact CB-CD2 4.38Å; N149-L155 WeakPolarHBondContact O-CD2 3.15Å; C152-L155 PolarHBondContact SG-N 3.06Å; R153-L155 PolarHBondContact O-N 3.07Å; L155-E157 VanDerWaalsContact C-N 3.26Å; L155-E157 PolarHBondContact O-N 3.4Å; L155-Y158 WeakPolarHBondContact O-CA 3.3Å; L155-Y158 WeakPolarHBondContact O-CB 3.35Å; L155-Y158 PolarHBondContact O-N 2.99Å; L155-F159 HydrophobicContact CB-CD2 4.2Å; L155-F159 HydrophobicContact CB-CE2 4.44Å; L155-F159 HydrophobicContact CG-CD2 4.34Å; L155-F159 HydrophobicContact CG-CE2 4.08Å; L155-F159 WeakPolarHBondContact O-CD2 3.37Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-W231 HydrophobicContact CD1-CH2 4.14Å; L155-W231 HydrophobicContact CD1-CZ2 3.78Å; L155-W231 HydrophobicContact CD2-CH2 3.68Å; L155-W231 HydrophobicContact CD2-CZ2 3.5Å; L155-W231 HydrophobicContact CG-CH2 4.43Å; L155-W231 HydrophobicContact CG-CZ2 4.29Å; L155-P474 HydrophobicContact CD1-CG 3.92Å; L155-P474 HydrophobicContact CG-CG 4.37Å
156	T	98.2	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.7	-22.2	-177.2	56.7	0	0	0	0	113.8	V119 H150 C152 R153 F161 K162 Y174 M178	V119-T156 HydrophobicContact CG2-CG2 3.71Å; H150-T156 WeakPolarHBondContact O-CG2 3.47Å; C152-T156 WeakPolarHBondContact O-CB 3.22Å; C152-T156 WeakPolarHBondContact O-CG2 3.44Å; C152-T156 PolarHBondContact O-N 3.06Å; C152-T156 PolarHBondContact O-OG1 2.86Å; R153-T156 PolarHBondContact O-N 2.76Å; R153-T156 PolarHBondContact O-OG1 3.06Å; T156-F161 HydrophobicContact CG2-CB 3.9Å; T156-F161 HydrophobicContact CG2-CD1 3.66Å; T156-F161 HydrophobicContact CG2-CG 4.2Å; T156-K162 WeakPolarHBondContact O-CB 3.4Å; T156-K162 PolarHBondContact O-N 2.71Å; T156-K162 VanDerWaalsContact O-N 3.09Å; T156-Y174 WeakPolarHBondContact OG1-CE2 3.49Å; T156-Y174 PolarHBondContact OG1-OH 3.18Å; T156-Y174 VanDerWaalsContact OG1-OH 3.05Å; T156-M178 HydrophobicContact CG2-CE 4.19Å
157	E	95.9	Very high	97.6	Very high	72 Å²	72	26.2 Å²	26.2	34%	0.336	12%	0.118	S	C	.	.	H	α-helix	trans	-74.6	-30.6	166.7	-74.2	-151.7	161	0	0	113.6	R153 L155 K162 Y174 R477	R153-E157 VanDerWaalsContact O-CB 3.26Å; R153-E157 WeakPolarHBondContact O-CB 3.37Å; R153-E157 WeakPolarHBondContact O-CG 3.49Å; R153-E157 PolarHBondContact O-N 3.34Å; L155-E157 VanDerWaalsContact C-N 3.26Å; L155-E157 PolarHBondContact O-N 3.4Å; E157-K162 HydrophobicContact CB-CD 4.48Å; E157-K162 HydrophobicContact CG-CD 3.73Å; E157-K162 IonicContact OE1-NZ 3.66Å; E157-K162 PolarHBondContact OE1-NZ 2.83Å; E157-Y174 WeakPolarHBondContact CG-OH 3.18Å; E157-R477 IonicContact OE2-CZ 2.71Å; E157-R477 IonicContact OE2-NH1 3.44Å; E157-R477 PolarHBondContact OE2-NH1 2.72Å; E157-R477 IonicContact OE2-NH2 3.42Å
158	Y	93.2	Very high	97.5	Very high	75 Å²	75	26.3 Å²	26.3	29%	0.294	12%	0.118	S	C	.	.	H	α-helix	trans	-83.7	-42	-177.3	-179.4	-101.1	0	0	0	112.1	L155 P428 P474	L155-Y158 WeakPolarHBondContact O-CA 3.3Å; L155-Y158 WeakPolarHBondContact O-CB 3.35Å; L155-Y158 PolarHBondContact O-N 2.99Å; Y158-P428 HydrophobicContact CD1-CB 4.14Å; Y158-P428 HydrophobicContact CE1-CB 3.42Å; Y158-P428 VanDerWaalsContact CE1-CB 3.42Å; Y158-P428 HydrophobicContact CE1-CG 3.54Å; Y158-P428 WeakPolarHBondContact OH-CG 3.18Å; Y158-P474 HydrophobicContact CD1-CB 3.83Å; Y158-P474 HydrophobicContact CD1-CG 3.42Å; Y158-P474 VanDerWaalsContact CD1-CG 3.42Å; Y158-P474 HydrophobicContact CD2-CB 3.65Å; Y158-P474 HydrophobicContact CD2-CG 4.17Å; Y158-P474 HydrophobicContact CE1-CB 4.18Å; Y158-P474 HydrophobicContact CE1-CG 3.97Å; Y158-P474 HydrophobicContact CE2-CB 4.03Å; Y158-P474 HydrophobicContact CG-CB 3.53Å; Y158-P474 HydrophobicContact CG-CG 3.52Å
159	F	94.6	Very high	97.5	Very high	14 Å²	14	27.2 Å²	27.2	6%	0.061	12%	0.122	C	C	.	.	S	Bend	trans	-88.2	-144.2	174.7	-65	-67.4	0	0	0	110.4	D120 H150 L155 P428 N470	D120-F159 HydrophobicContact CB-CB 3.86Å; D120-F159 HydrophobicContact CB-CD2 4.39Å; D120-F159 HydrophobicContact CB-CG 4.29Å; D120-F159 VanDerWaalsContact CG-CB 3.46Å; D120-F159 WeakPolarHBondContact OD1-CB 3.27Å; H150-F159 AromaticContact CE1-CD2 3.67Å; H150-F159 AromaticContact CE1-CE2 3.48Å; H150-F159 VanDerWaalsContact CE1-CE2 3.48Å; H150-F159 WeakPolarHBondContact CE1-CE2 3.45Å; H150-F159 AromaticContact ND1-CD2 3.95Å; L155-F159 HydrophobicContact CB-CD2 4.2Å; L155-F159 HydrophobicContact CB-CE2 4.44Å; L155-F159 HydrophobicContact CG-CD2 4.34Å; L155-F159 HydrophobicContact CG-CE2 4.08Å; L155-F159 WeakPolarHBondContact O-CD2 3.37Å; L155-F159 PolarHBondContact O-N 3.44Å; F159-P428 HydrophobicContact CD1-CB 3.86Å; F159-P428 HydrophobicContact CE1-CB 3.69Å; F159-N470 HydrophobicContact CE1-CB 4.05Å; F159-N470 HydrophobicContact CZ-CB 4.29Å; F159-N470 WeakPolarHBondContact CZ-O 3.32Å
160	T	94.8	Very high	97.5	Very high	11 Å²	11	29 Å²	29	7%	0.067	13%	0.133	C	C	.	.	S	Bend	trans	-109	-14.8	-160.5	53.8	0	0	0	0	113.8	D120 Y123 K162 Q163 E164	D120-T160 PolarHBondContact OD1-N 3.41Å; Y123-T160 HydrophobicContact CE1-CG2 4.07Å; T160-K162 PolarHBondContact O-N 3.27Å; T160-Q163 PolarHBondContact O-N 2.86Å; T160-Q163 VanDerWaalsContact O-N 3.13Å; T160-E164 WeakPolarHBondContact O-CB 3.16Å; T160-E164 PolarHBondContact O-N 3.24Å
161	F	98.5	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-40.5	-173.3	-177.1	-122.4	0	0	0	113.4	V119 D120 S125 I126 V129 T156 Q163 E164 C165 Y174 C177 M178 F181	V119-F161 HydrophobicContact CB-CB 4.2Å; V119-F161 HydrophobicContact CB-CD1 4.18Å; V119-F161 HydrophobicContact CB-CD2 4.03Å; V119-F161 HydrophobicContact CB-CE2 4.43Å; V119-F161 HydrophobicContact CB-CG 3.88Å; V119-F161 HydrophobicContact CG1-CD1 4.14Å; V119-F161 HydrophobicContact CG1-CD2 3.95Å; V119-F161 HydrophobicContact CG1-CE1 4.03Å; V119-F161 HydrophobicContact CG1-CE2 3.84Å; V119-F161 HydrophobicContact CG1-CG 4.09Å; V119-F161 HydrophobicContact CG1-CZ 3.87Å; V119-F161 HydrophobicContact CG2-CD1 4.29Å; V119-F161 HydrophobicContact CG2-CG 4.34Å; D120-F161 WeakPolarHBondContact OD1-CB 3.39Å; D120-F161 PolarHBondContact OD1-N 3.36Å; S125-F161 VanDerWaalsContact CB-CD2 3.48Å; I126-F161 HydrophobicContact CB-CE2 4.17Å; I126-F161 HydrophobicContact CD1-CE2 4.21Å; I126-F161 HydrophobicContact CD1-CZ 4.18Å; V129-F161 HydrophobicContact CG2-CE2 4.48Å; V129-F161 HydrophobicContact CG2-CZ 4.19Å; T156-F161 HydrophobicContact CG2-CB 3.9Å; T156-F161 HydrophobicContact CG2-CD1 3.66Å; T156-F161 HydrophobicContact CG2-CG 4.2Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 3.46Å; F161-E164 WeakPolarHBondContact O-CB 3.49Å; F161-E164 PolarHBondContact O-N 2.94Å; F161-C165 PolarHBondContact O-N 3.41Å; F161-C165 PolarHBondContact O-SG 3.09Å; F161-Y174 HydrophobicContact CD1-CD2 4.23Å; F161-Y174 HydrophobicContact CD1-CE2 4.28Å; F161-Y174 HydrophobicContact CE1-CD2 4.39Å; F161-C177 HydrophobicContact CE1-CB 3.95Å; F161-C177 HydrophobicContact CZ-CB 4.14Å; F161-M178 HydrophobicContact CD1-CE 4.1Å; F161-M178 HydrophobicContact CE1-CE 3.92Å; F161-F181 HydrophobicContact CD1-CE2 4.38Å; F161-F181 AromaticContact CE1-CE2 3.86Å; F161-F181 HydrophobicContact CE1-CE2 3.86Å; F161-F181 AromaticContact CE1-CZ 3.95Å; F161-F181 HydrophobicContact CE1-CZ 3.95Å; F161-F181 HydrophobicContact CZ-CZ 4.29Å
162	K	98.4	Very high	97.5	Very high	33 Å²	33	37.3 Å²	37.3	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-42.4	174.6	-177.6	163.1	-177.8	150.3	0	111.9	T156 E157 T160 K166 E171 Y174	T156-K162 WeakPolarHBondContact O-CB 3.4Å; T156-K162 PolarHBondContact O-N 2.71Å; T156-K162 VanDerWaalsContact O-N 3.09Å; E157-K162 HydrophobicContact CB-CD 4.48Å; E157-K162 HydrophobicContact CG-CD 3.73Å; E157-K162 IonicContact OE1-NZ 3.66Å; E157-K162 PolarHBondContact OE1-NZ 2.83Å; T160-K162 PolarHBondContact O-N 3.27Å; K162-K166 WeakPolarHBondContact O-CG 3.46Å; K162-K166 PolarHBondContact O-N 2.83Å; K162-E171 WeakPolarHBondContact CE-OE1 3.35Å; K162-E171 IonicContact NZ-OE1 2.85Å; K162-Y174 HydrophobicContact CB-CD2 3.89Å; K162-Y174 HydrophobicContact CB-CE2 3.57Å; K162-Y174 HydrophobicContact CB-CG 4.49Å; K162-Y174 HydrophobicContact CD-CD1 4.23Å; K162-Y174 HydrophobicContact CD-CE1 3.76Å; K162-Y174 HydrophobicContact CD-CE2 4.23Å; K162-Y174 HydrophobicContact CG-CD1 4.2Å; K162-Y174 HydrophobicContact CG-CD2 4.08Å; K162-Y174 HydrophobicContact CG-CE1 4.12Å; K162-Y174 HydrophobicContact CG-CE2 3.96Å; K162-Y174 HydrophobicContact CG-CG 4.18Å
163	Q	97.2	Very high	97.5	Very high	65 Å²	65	37.1 Å²	37.1	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-68.2	-40	177.2	-176.3	63.6	12.3	0	0	111.6	T160 F161 C165 K166 I167 N344 F345	T160-Q163 PolarHBondContact O-N 2.86Å; T160-Q163 VanDerWaalsContact O-N 3.13Å; F161-Q163 VanDerWaalsContact C-N 3.3Å; F161-Q163 PolarHBondContact O-N 3.46Å; Q163-C165 PolarHBondContact O-N 3.37Å; Q163-K166 PolarHBondContact O-N 3.17Å; Q163-I167 HydrophobicContact CG-CG1 4.26Å; Q163-I167 WeakPolarHBondContact O-CG1 3.43Å; Q163-I167 PolarHBondContact O-N 3.16Å; Q163-N344 WeakPolarHBondContact CG-OD1 3.42Å; Q163-F345 HydrophobicContact CG-CD2 4.3Å
164	E	98.6	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-50.5	175.1	-175.8	173.3	166.4	0	0	111.3	S125 I126 T160 F161 K166 I167 K168 F345	S125-E164 VanDerWaalsContact CB-OE2 3.23Å; S125-E164 WeakPolarHBondContact CB-OE2 3.05Å; S125-E164 PolarHBondContact N-OE1 2.93Å; S125-E164 PolarHBondContact N-OE2 3.25Å; S125-E164 PolarHBondContact OG-OE2 3.36Å; I126-E164 HydrophobicContact CG2-CG 4.3Å; I126-E164 WeakPolarHBondContact CG2-OE1 3.5Å; I126-E164 PolarHBondContact N-OE1 3.17Å; T160-E164 WeakPolarHBondContact O-CB 3.16Å; T160-E164 PolarHBondContact O-N 3.24Å; F161-E164 WeakPolarHBondContact O-CB 3.49Å; F161-E164 PolarHBondContact O-N 2.94Å; E164-K166 VanDerWaalsContact C-N 3.34Å; E164-K166 PolarHBondContact O-N 3.38Å; E164-I167 PolarHBondContact O-N 3.37Å; E164-K168 HydrophobicContact CG-CD 3.72Å; E164-K168 HydrophobicContact CG-CG 4.36Å; E164-K168 WeakPolarHBondContact O-CB 3.3Å; E164-K168 PolarHBondContact O-N 2.81Å; E164-K168 IonicContact OE1-NZ 3.66Å; E164-K168 PolarHBondContact OE1-NZ 3.28Å; E164-F345 HydrophobicContact CB-CD2 4.27Å; E164-F345 HydrophobicContact CB-CE1 4.29Å; E164-F345 HydrophobicContact CB-CE2 3.42Å; E164-F345 VanDerWaalsContact CB-CE2 3.42Å; E164-F345 HydrophobicContact CB-CZ 3.44Å; E164-F345 VanDerWaalsContact CB-CZ 3.44Å; E164-F345 HydrophobicContact CG-CE1 3.9Å; E164-F345 HydrophobicContact CG-CE2 3.95Å; E164-F345 HydrophobicContact CG-CZ 3.4Å; E164-F345 VanDerWaalsContact CG-CZ 3.4Å
165	C	98.7	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.2	-45.1	176.8	-70.1	0	0	0	0	111.6	F161 Q163 I167 Y169 T170	F161-C165 PolarHBondContact O-N 3.41Å; F161-C165 PolarHBondContact O-SG 3.09Å; Q163-C165 PolarHBondContact O-N 3.37Å; C165-I167 VanDerWaalsContact C-N 3.33Å; C165-I167 PolarHBondContact O-N 3.37Å; C165-Y169 CarbonylContact O-C 3.53Å; C165-Y169 VanDerWaalsContact O-CA 3.25Å; C165-Y169 WeakPolarHBondContact O-CA 3.33Å; C165-Y169 PolarHBondContact O-N 3.24Å; C165-T170 PolarHBondContact O-N 2.68Å
166	K	98	Very high	97.7	Very high	82 Å²	82	35.1 Å²	35.1	36%	0.357	17%	0.165	S	C	.	.	H	α-helix	trans	-63.5	-35.8	178.7	-70.3	-174.9	-172	-142.4	0	113.3	K162 Q163 E164 E171	K162-K166 WeakPolarHBondContact O-CG 3.46Å; K162-K166 PolarHBondContact O-N 2.83Å; Q163-K166 PolarHBondContact O-N 3.17Å; E164-K166 VanDerWaalsContact C-N 3.34Å; E164-K166 PolarHBondContact O-N 3.38Å; K166-E171 VanDerWaalsContact CE-CD 3.45Å; K166-E171 WeakPolarHBondContact CE-OE1 3.39Å; K166-E171 HydrophobicContact CG-CB 4.48Å; K166-E171 IonicContact NZ-OE1 3.95Å; K166-E171 PolarHBondContact NZ-OE1 2.71Å; K166-E171 IonicContact NZ-OE2 3.36Å; K166-E171 PolarHBondContact NZ-OE2 3.42Å
167	I	97.5	Very high	97.7	Very high	67 Å²	67	35.1 Å²	35.1	34%	0.344	17%	0.165	S	C	.	.	H	α-helix	trans	-80.6	-39.6	-179.2	-66.1	-66.9	0	0	0	112.1	R54 Q163 E164 C165 F345	R54-I167 PolarHBondContact NH1-O 3.44Å; Q163-I167 HydrophobicContact CG-CG1 4.26Å; Q163-I167 WeakPolarHBondContact O-CG1 3.43Å; Q163-I167 PolarHBondContact O-N 3.16Å; E164-I167 PolarHBondContact O-N 3.37Å; C165-I167 VanDerWaalsContact C-N 3.33Å; C165-I167 PolarHBondContact O-N 3.37Å; I167-F345 HydrophobicContact CB-CB 4.24Å; I167-F345 HydrophobicContact CG1-CB 3.97Å; I167-F345 HydrophobicContact CG2-CB 4.05Å
168	K	98.4	Very high	97.9	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-86.1	-39.1	-176.1	-65.7	-177.6	-178.7	178.3	0	112.6	R27 R54 Y123 I126 E127 E164	R27-K168 PolarHBondContact NH1-O 3.12Å; R27-K168 PolarHBondContact NH2-O 2.94Å; R54-K168 WeakPolarHBondContact CD-O 3.48Å; R54-K168 PolarHBondContact NH1-O 3.05Å; Y123-K168 PolarHBondContact O-NZ 2.81Å; I126-K168 HydrophobicContact CG2-CD 3.59Å; E127-K168 IonicContact OE1-NZ 2.81Å; E127-K168 PolarHBondContact OE1-NZ 3.21Å; E127-K168 IonicContact OE2-NZ 3.81Å; E127-K168 PolarHBondContact OE2-NZ 3.36Å; E164-K168 HydrophobicContact CG-CD 3.72Å; E164-K168 HydrophobicContact CG-CG 4.36Å; E164-K168 WeakPolarHBondContact O-CB 3.3Å; E164-K168 PolarHBondContact O-N 2.81Å; E164-K168 IonicContact OE1-NZ 3.66Å; E164-K168 PolarHBondContact OE1-NZ 3.28Å
169	Y	98.5	Very high	98.1	Very high	18 Å²	18	33.4 Å²	33.4	7%	0.071	16%	0.159	C	C	.	.	S	Bend	trans	-131.3	-113.5	-174.4	-62.7	-88.8	0	0	0	110.4	V55 A60 I126 L130 C165 V173	V55-Y169 HydrophobicContact CG2-CE1 3.84Å; V55-Y169 PolarHBondContact N-OH 3.26Å; V55-Y169 WeakPolarHBondContact O-CE1 3.35Å; A60-Y169 HydrophobicContact CB-CD1 4.12Å; A60-Y169 HydrophobicContact CB-CE1 3.95Å; I126-Y169 HydrophobicContact CB-CE2 4.38Å; I126-Y169 HydrophobicContact CG1-CD2 3.87Å; I126-Y169 HydrophobicContact CG1-CE2 3.69Å; I126-Y169 HydrophobicContact CG2-CD2 4.18Å; I126-Y169 HydrophobicContact CG2-CE2 3.69Å; L130-Y169 HydrophobicContact CD1-CE2 4.35Å; L130-Y169 WeakPolarHBondContact CD1-OH 3.27Å; C165-Y169 CarbonylContact O-C 3.53Å; C165-Y169 VanDerWaalsContact O-CA 3.25Å; C165-Y169 WeakPolarHBondContact O-CA 3.33Å; C165-Y169 PolarHBondContact O-N 3.24Å; Y169-V173 HydrophobicContact CG-CG1 4.41Å; Y169-V173 HydrophobicContact CG-CG2 4.4Å
170	T	98.4	Very high	98.3	Very high	41 Å²	41	32.8 Å²	32.8	25%	0.252	16%	0.157	S	C	.	.			trans	-147.9	169.8	-176.6	63.6	0	0	0	0	110.3	E57 C165 E172 V173 Y174	E57-T170 VanDerWaalsContact CD-CG2 3.43Å; E57-T170 WeakPolarHBondContact OE1-CB 3.4Å; E57-T170 WeakPolarHBondContact OE1-CG2 3.44Å; E57-T170 PolarHBondContact OE1-OG1 3.19Å; E57-T170 VanDerWaalsContact OE2-CG2 3.28Å; E57-T170 WeakPolarHBondContact OE2-CG2 3.38Å; C165-T170 PolarHBondContact O-N 2.68Å; T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact OG1-N 2.9Å; T170-V173 PolarHBondContact O-N 3.29Å; T170-V173 PolarHBondContact OG1-N 2.86Å; T170-Y174 PolarHBondContact O-N 2.72Å
171	E	98.4	Very high	98.5	Very high	84 Å²	84	32.3 Å²	32.3	39%	0.393	15%	0.154	S	C	.	.	H	α-helix	trans	-68	-25.7	169.7	-171.4	154.6	-146.9	0	0	112.2	K162 K166 V173 Y174 E175	K162-E171 WeakPolarHBondContact CE-OE1 3.35Å; K162-E171 IonicContact NZ-OE1 2.85Å; K166-E171 VanDerWaalsContact CE-CD 3.45Å; K166-E171 WeakPolarHBondContact CE-OE1 3.39Å; K166-E171 HydrophobicContact CG-CB 4.48Å; K166-E171 IonicContact NZ-OE1 3.95Å; K166-E171 PolarHBondContact NZ-OE1 2.71Å; K166-E171 IonicContact NZ-OE2 3.36Å; K166-E171 PolarHBondContact NZ-OE2 3.42Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.15Å; E171-Y174 WeakPolarHBondContact O-CB 3.5Å; E171-Y174 PolarHBondContact O-N 2.9Å; E171-E175 WeakPolarHBondContact O-CG 3.1Å; E171-E175 PolarHBondContact O-N 3.1Å
172	E	98.6	Very high	98.5	Very high	96 Å²	96	33.2 Å²	33.2	45%	0.449	16%	0.158	S	C	.	.	H	α-helix	trans	-63.1	-40.7	173.7	-170.4	-175.6	164	0	0	111.5	L61 R65 T170 Y174 E175 A176	L61-E172 HydrophobicContact CD1-CG 4.3Å; L61-E172 WeakPolarHBondContact CD1-OE1 3.37Å; L61-E172 HydrophobicContact CD2-CG 4.12Å; R65-E172 IonicContact CZ-OE1 3.9Å; R65-E172 IonicContact NH1-OE1 3.89Å; R65-E172 IonicContact NH2-OE1 3.84Å; R65-E172 PolarHBondContact NH2-OE1 3.49Å; T170-E172 VanDerWaalsContact C-N 3.27Å; T170-E172 PolarHBondContact OG1-N 2.9Å; E172-Y174 VanDerWaalsContact C-N 3.31Å; E172-Y174 PolarHBondContact O-N 3.09Å; E172-E175 PolarHBondContact O-N 2.93Å; E172-A176 WeakPolarHBondContact O-CB 3.45Å; E172-A176 PolarHBondContact O-N 3.42Å
173	V	98.8	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-40.1	174.9	172	0	0	0	0	111.3	E57 A60 L61 I64 I126 Y169 T170 E171 A176 C177	E57-V173 HydrophobicContact CG-CG2 4Å; A60-V173 HydrophobicContact CB-CG2 4.22Å; L61-V173 HydrophobicContact CD2-CG2 4.05Å; L61-V173 HydrophobicContact CG-CG2 4.16Å; I64-V173 HydrophobicContact CD1-CG1 3.78Å; I126-V173 HydrophobicContact CD1-CG1 3.99Å; Y169-V173 HydrophobicContact CG-CG1 4.41Å; Y169-V173 HydrophobicContact CG-CG2 4.4Å; T170-V173 PolarHBondContact O-N 3.29Å; T170-V173 PolarHBondContact OG1-N 2.86Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.15Å; V173-A176 PolarHBondContact O-N 3.24Å; V173-C177 PolarHBondContact O-N 2.85Å; V173-C177 PolarHBondContact O-SG 2.9Å; V173-C177 VanDerWaalsContact O-SG 3.37Å
174	Y	98.9	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62	-50	175.2	170.4	-98.7	0	0	0	111.8	T156 E157 F161 K162 T170 E171 E172 A176 C177 M178	T156-Y174 WeakPolarHBondContact OG1-CE2 3.49Å; T156-Y174 PolarHBondContact OG1-OH 3.18Å; T156-Y174 VanDerWaalsContact OG1-OH 3.05Å; E157-Y174 WeakPolarHBondContact CG-OH 3.18Å; F161-Y174 HydrophobicContact CD1-CD2 4.23Å; F161-Y174 HydrophobicContact CD1-CE2 4.28Å; F161-Y174 HydrophobicContact CE1-CD2 4.39Å; K162-Y174 HydrophobicContact CB-CD2 3.89Å; K162-Y174 HydrophobicContact CB-CE2 3.57Å; K162-Y174 HydrophobicContact CB-CG 4.49Å; K162-Y174 HydrophobicContact CD-CD1 4.23Å; K162-Y174 HydrophobicContact CD-CE1 3.76Å; K162-Y174 HydrophobicContact CD-CE2 4.23Å; K162-Y174 HydrophobicContact CG-CD1 4.2Å; K162-Y174 HydrophobicContact CG-CD2 4.08Å; K162-Y174 HydrophobicContact CG-CE1 4.12Å; K162-Y174 HydrophobicContact CG-CE2 3.96Å; K162-Y174 HydrophobicContact CG-CG 4.18Å; T170-Y174 PolarHBondContact O-N 2.72Å; E171-Y174 WeakPolarHBondContact O-CB 3.5Å; E171-Y174 PolarHBondContact O-N 2.9Å; E172-Y174 VanDerWaalsContact C-N 3.31Å; E172-Y174 PolarHBondContact O-N 3.09Å; Y174-A176 VanDerWaalsContact C-N 3.28Å; Y174-A176 PolarHBondContact O-N 2.77Å; Y174-C177 WeakPolarHBondContact O-CA 3.44Å; Y174-C177 WeakPolarHBondContact O-CB 3.35Å; Y174-C177 PolarHBondContact O-N 3.09Å; Y174-M178 HydrophobicContact CD1-CG 4.29Å; Y174-M178 HydrophobicContact CD2-CE 4.18Å; Y174-M178 HydrophobicContact CE1-CG 3.79Å; Y174-M178 HydrophobicContact CE1-SD 4.47Å; Y174-M178 HydrophobicContact CE2-CE 3.69Å; Y174-M178 HydrophobicContact CE2-CG 4.08Å; Y174-M178 HydrophobicContact CE2-SD 3.95Å; Y174-M178 WeakPolarHBondContact O-CG 3.38Å; Y174-M178 PolarHBondContact O-N 2.75Å
175	E	98.8	Very high	98.6	Very high	74 Å²	74	28.7 Å²	28.7	35%	0.346	14%	0.138	S	C	.	.	H	α-helix	trans	-61.6	-38.6	179.3	-65.2	-56.4	148.3	0	0	111.5	E171 E172 C177 M178 E179	E171-E175 WeakPolarHBondContact O-CG 3.1Å; E171-E175 PolarHBondContact O-N 3.1Å; E172-E175 PolarHBondContact O-N 2.93Å; E175-C177 VanDerWaalsContact C-N 3.34Å; E175-C177 PolarHBondContact O-N 3.27Å; E175-M178 PolarHBondContact O-N 2.94Å; E175-E179 PolarHBondContact O-N 2.88Å
176	A	98.9	Very high	98.6	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-38.9	173.2	0	0	0	0	0	112.5	L61 I64 E172 V173 Y174 A180	L61-A176 HydrophobicContact CD2-CB 3.64Å; I64-A176 HydrophobicContact CG2-CB 3.96Å; I64-A176 VanDerWaalsContact CG2-O 3.26Å; I64-A176 WeakPolarHBondContact CG2-O 3.39Å; E172-A176 WeakPolarHBondContact O-CB 3.45Å; E172-A176 PolarHBondContact O-N 3.42Å; V173-A176 PolarHBondContact O-N 3.24Å; Y174-A176 VanDerWaalsContact C-N 3.28Å; Y174-A176 PolarHBondContact O-N 2.77Å; A176-A180 WeakPolarHBondContact O-CB 3.33Å; A176-A180 PolarHBondContact O-N 2.86Å
177	C	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-41.7	172.7	-73.3	0	0	0	0	111.4	I64 F161 V173 Y174 E175 E179 A180 F181	I64-C177 VanDerWaalsContact CD1-SG 3.5Å; F161-C177 HydrophobicContact CE1-CB 3.95Å; F161-C177 HydrophobicContact CZ-CB 4.14Å; V173-C177 PolarHBondContact O-N 2.85Å; V173-C177 PolarHBondContact O-SG 2.9Å; V173-C177 VanDerWaalsContact O-SG 3.37Å; Y174-C177 WeakPolarHBondContact O-CA 3.44Å; Y174-C177 WeakPolarHBondContact O-CB 3.35Å; Y174-C177 PolarHBondContact O-N 3.09Å; E175-C177 VanDerWaalsContact C-N 3.34Å; E175-C177 PolarHBondContact O-N 3.27Å; C177-E179 PolarHBondContact O-N 2.69Å; C177-A180 CarbonylContact O-C 3.51Å; C177-A180 WeakPolarHBondContact O-CB 3.49Å; C177-A180 PolarHBondContact O-N 2.87Å; C177-A180 VanDerWaalsContact O-N 3.15Å; C177-F181 HydrophobicContact CB-CE1 4.47Å; C177-F181 HydrophobicContact CB-CE2 4.48Å; C177-F181 HydrophobicContact CB-CZ 4.23Å; C177-F181 WeakPolarHBondContact O-CB 3.27Å; C177-F181 VanDerWaalsContact O-CD1 3.26Å; C177-F181 WeakPolarHBondContact O-CD1 3.47Å; C177-F181 WeakPolarHBondContact O-CG 3.45Å; C177-F181 PolarHBondContact O-N 3.29Å
178	M	98.8	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-43	178.9	-63.4	-60.9	102.1	0	0	112.1	R153 T156 F161 Y174 E175 A180 F181 D182	R153-M178 HydrophobicContact CB-SD 4.17Å; R153-M178 HydrophobicContact CG-CB 4.02Å; R153-M178 HydrophobicContact CG-CG 3.67Å; R153-M178 HydrophobicContact CG-SD 3.49Å; R153-M178 WeakPolarHBondContact CG-SD 3.37Å; T156-M178 HydrophobicContact CG2-CE 4.19Å; F161-M178 HydrophobicContact CD1-CE 4.1Å; F161-M178 HydrophobicContact CE1-CE 3.92Å; Y174-M178 HydrophobicContact CD1-CG 4.29Å; Y174-M178 HydrophobicContact CD2-CE 4.18Å; Y174-M178 HydrophobicContact CE1-CG 3.79Å; Y174-M178 HydrophobicContact CE1-SD 4.47Å; Y174-M178 HydrophobicContact CE2-CE 3.69Å; Y174-M178 HydrophobicContact CE2-CG 4.08Å; Y174-M178 HydrophobicContact CE2-SD 3.95Å; Y174-M178 WeakPolarHBondContact O-CG 3.38Å; Y174-M178 PolarHBondContact O-N 2.75Å; E175-M178 PolarHBondContact O-N 2.94Å; M178-A180 VanDerWaalsContact C-N 3.31Å; M178-A180 PolarHBondContact O-N 3.25Å; M178-F181 HydrophobicContact CE-CD2 3.38Å; M178-F181 HydrophobicContact CE-CE2 3.42Å; M178-F181 VanDerWaalsContact CE-CE2 3.42Å; M178-F181 HydrophobicContact CE-CG 4.47Å; M178-F181 PolarHBondContact O-N 3.16Å; M178-F181 HydrophobicContact SD-CD2 4.37Å; M178-D182 VanDerWaalsContact O-CG 3.31Å; M178-D182 PolarHBondContact O-N 2.79Å
179	E	98.7	Very high	98.8	Very high	111 Å²	111	21.7 Å²	21.7	52%	0.519	11%	0.105	S	C	.	.	H	α-helix	trans	-62.7	-37.9	172.9	-69.1	180	-177.6	0	0	112.3	E175 C177 C183	E175-E179 PolarHBondContact O-N 2.88Å; C177-E179 PolarHBondContact O-N 2.69Å; E179-C183 PolarHBondContact O-SG 2.9Å
180	A	98.9	Very high	98.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-39	175.8	0	0	0	0	0	112.2	I64 A68 W133 A176 C177 M178 D182 C183	I64-A180 HydrophobicContact CG2-CB 3.77Å; A68-A180 HydrophobicContact CB-CB 3.69Å; W133-A180 HydrophobicContact CZ2-CB 4.21Å; A176-A180 WeakPolarHBondContact O-CB 3.33Å; A176-A180 PolarHBondContact O-N 2.86Å; C177-A180 CarbonylContact O-C 3.51Å; C177-A180 WeakPolarHBondContact O-CB 3.49Å; C177-A180 PolarHBondContact O-N 2.87Å; C177-A180 VanDerWaalsContact O-N 3.15Å; M178-A180 VanDerWaalsContact C-N 3.31Å; M178-A180 PolarHBondContact O-N 3.25Å; A180-D182 VanDerWaalsContact C-N 3.32Å; A180-C183 WeakPolarHBondContact O-CB 3.37Å; A180-C183 PolarHBondContact O-N 3.05Å
181	F	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.7	-34.7	178.2	-69.4	-4.4	0	0	0	112.2	V119 V129 W133 R147 E151 F161 C177 M178 C183 L184	V119-F181 HydrophobicContact CG1-CE2 4.17Å; V119-F181 HydrophobicContact CG1-CZ 3.72Å; V119-F181 HydrophobicContact CG2-CE2 4.19Å; V129-F181 HydrophobicContact CG1-CE1 4.38Å; V129-F181 HydrophobicContact CG2-CE1 4.16Å; V129-F181 HydrophobicContact CG2-CZ 3.92Å; W133-F181 AromaticContact CH2-CD1 3.83Å; W133-F181 HydrophobicContact CH2-CD1 3.83Å; W133-F181 AromaticContact CH2-CE1 3.58Å; W133-F181 HydrophobicContact CH2-CE1 3.58Å; W133-F181 AromaticContact CZ2-CD1 3.87Å; W133-F181 HydrophobicContact CZ2-CD1 3.87Å; W133-F181 AromaticContact CZ2-CE1 3.9Å; W133-F181 HydrophobicContact CZ2-CE1 3.9Å; W133-F181 HydrophobicContact CZ3-CE1 4.38Å; R147-F181 PolarHBondContact NE-O 2.94Å; E151-F181 HydrophobicContact CB-CB 3.97Å; E151-F181 HydrophobicContact CB-CD1 4.34Å; E151-F181 HydrophobicContact CB-CD2 3.73Å; E151-F181 HydrophobicContact CB-CE2 4.29Å; E151-F181 HydrophobicContact CB-CG 3.76Å; E151-F181 HydrophobicContact CG-CD1 4Å; E151-F181 HydrophobicContact CG-CD2 3.9Å; E151-F181 HydrophobicContact CG-CE1 4.13Å; E151-F181 HydrophobicContact CG-CE2 4.01Å; E151-F181 HydrophobicContact CG-CG 3.89Å; E151-F181 HydrophobicContact CG-CZ 4.14Å; F161-F181 HydrophobicContact CD1-CE2 4.38Å; F161-F181 AromaticContact CE1-CE2 3.86Å; F161-F181 HydrophobicContact CE1-CE2 3.86Å; F161-F181 AromaticContact CE1-CZ 3.95Å; F161-F181 HydrophobicContact CE1-CZ 3.95Å; F161-F181 HydrophobicContact CZ-CZ 4.29Å; C177-F181 HydrophobicContact CB-CE1 4.47Å; C177-F181 HydrophobicContact CB-CE2 4.48Å; C177-F181 HydrophobicContact CB-CZ 4.23Å; C177-F181 WeakPolarHBondContact O-CB 3.27Å; C177-F181 VanDerWaalsContact O-CD1 3.26Å; C177-F181 WeakPolarHBondContact O-CD1 3.47Å; C177-F181 WeakPolarHBondContact O-CG 3.45Å; C177-F181 PolarHBondContact O-N 3.29Å; M178-F181 HydrophobicContact CE-CD2 3.38Å; M178-F181 HydrophobicContact CE-CE2 3.42Å; M178-F181 VanDerWaalsContact CE-CE2 3.42Å; M178-F181 HydrophobicContact CE-CG 4.47Å; M178-F181 PolarHBondContact O-N 3.16Å; M178-F181 HydrophobicContact SD-CD2 4.37Å; F181-C183 PolarHBondContact O-N 3.43Å; F181-L184 HydrophobicContact CB-CD1 4.33Å; F181-L184 HydrophobicContact CD1-CD1 4.03Å; F181-L184 HydrophobicContact CG-CD1 4.42Å; F181-L184 WeakPolarHBondContact O-CB 3.47Å; F181-L184 PolarHBondContact O-N 3.06Å
182	D	98.8	Very high	98.7	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.102	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20	172	-66.2	-24.9	0	0	0	112.7	R147 R153 M178 A180 Y217 R218	R147-D182 IonicContact CZ-OD1 2.66Å; R147-D182 IonicContact NH1-OD1 2.8Å; R147-D182 IonicContact NH2-OD1 3.95Å; R147-D182 PolarHBondContact NH2-OD1 3.45Å; R153-D182 IonicContact CZ-OD2 2.85Å; R153-D182 IonicContact NH1-OD1 2.77Å; R153-D182 PolarHBondContact NH1-OD1 3.14Å; R153-D182 IonicContact NH1-OD2 3.95Å; R153-D182 PolarHBondContact NH1-OD2 3.17Å; R153-D182 IonicContact NH2-OD2 3.84Å; R153-D182 PolarHBondContact NH2-OD2 2.61Å; M178-D182 VanDerWaalsContact O-CG 3.31Å; M178-D182 PolarHBondContact O-N 2.79Å; A180-D182 VanDerWaalsContact C-N 3.32Å; D182-Y217 WeakPolarHBondContact O-CA 3.43Å; D182-R218 VanDerWaalsContact OD1-C 3.27Å
183	C	98.8	Very high	98.7	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.027	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.2	178	-58.4	0	0	0	0	113.7	L71 R72 E179 A180 F181 R216	L71-C183 HydrophobicContact CB-CB 3.91Å; L71-C183 VanDerWaalsContact O-O 3.12Å; R72-C183 HydrophobicContact CB-CB 4.27Å; E179-C183 PolarHBondContact O-SG 2.9Å; A180-C183 WeakPolarHBondContact O-CB 3.37Å; A180-C183 PolarHBondContact O-N 3.05Å; F181-C183 PolarHBondContact O-N 3.43Å; C183-R216 PolarHBondContact O-NE 2.79Å; C183-R216 VanDerWaalsContact O-NE 3.11Å; C183-R216 PolarHBondContact O-NH2 2.79Å
184	L	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-59.9	130.2	-175.5	-74.5	164.5	0	0	0	111.8	L71 Y118 W133 L145 R147 E151 F181 R216	L71-L184 HydrophobicContact CD1-CD2 3.69Å; L71-L184 HydrophobicContact CD1-CG 4.23Å; L71-L184 HydrophobicContact CD2-CD2 4.02Å; L71-L184 HydrophobicContact CG-CD2 4.47Å; Y118-L184 HydrophobicContact CE2-CD1 4.07Å; Y118-L184 HydrophobicContact CE2-CD2 4.42Å; W133-L184 HydrophobicContact CH2-CD1 4.22Å; W133-L184 HydrophobicContact CH2-CD2 4.13Å; W133-L184 HydrophobicContact CZ2-CD2 4.28Å; L145-L184 HydrophobicContact CB-CD2 3.72Å; R147-L184 HydrophobicContact CB-CB 3.65Å; R147-L184 HydrophobicContact CB-CD1 4.28Å; R147-L184 HydrophobicContact CG-CB 4.02Å; R147-L184 HydrophobicContact CG-CD1 4.09Å; E151-L184 HydrophobicContact CB-CD1 3.97Å; E151-L184 HydrophobicContact CG-CD1 3.75Å; F181-L184 HydrophobicContact CB-CD1 4.33Å; F181-L184 HydrophobicContact CD1-CD1 4.03Å; F181-L184 HydrophobicContact CG-CD1 4.42Å; F181-L184 WeakPolarHBondContact O-CB 3.47Å; F181-L184 PolarHBondContact O-N 3.06Å; L184-R216 WeakPolarHBondContact O-CD 3.35Å; L184-R216 PolarHBondContact O-NE 2.96Å
185	P	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.			trans	-53.7	151.7	168.9	-27.2	34.9	0	0	0	113.1	E74 L78 L145 L146 R147	E74-P185 HydrophobicContact CB-CG 4.09Å; L78-P185 HydrophobicContact CD1-CB 4.06Å; L78-P185 HydrophobicContact CD1-CG 4.05Å; L78-P185 HydrophobicContact CD2-CB 4.1Å; L78-P185 HydrophobicContact CD2-CG 3.77Å; L78-P185 HydrophobicContact CG-CB 3.83Å; L78-P185 HydrophobicContact CG-CG 3.98Å; L145-P185 WeakPolarHBondContact O-CD 3.22Å; L146-P185 CarbonylContact C-O 3.18Å; L146-P185 WeakPolarHBondContact CA-O 3.36Å; L146-P185 HydrophobicContact CD2-CB 3.91Å; R147-P185 PolarHBondContact N-O 2.82Å
186	L	98.9	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-96.6	-23.4	-176.4	-60.3	-178.1	0	0	0	113.1	T76 R147 I214 R216 M226 L229 L230	T76-L186 HydrophobicContact CG2-CB 3.98Å; T76-L186 HydrophobicContact CG2-CD1 3.86Å; T76-L186 HydrophobicContact CG2-CG 3.9Å; T76-L186 PolarHBondContact O-N 3.49Å; R147-L186 HydrophobicContact CB-CD2 4.06Å; L186-I214 HydrophobicContact CD1-CB 4.22Å; L186-I214 HydrophobicContact CD1-CD1 4.34Å; L186-I214 HydrophobicContact CD1-CG2 3.71Å; L186-R216 HydrophobicContact CD1-CB 3.85Å; L186-R216 HydrophobicContact CD2-CB 4.29Å; L186-R216 HydrophobicContact CG-CB 3.92Å; L186-M226 HydrophobicContact CD1-CG 4Å; L186-M226 HydrophobicContact CD2-CE 4.18Å; L186-L229 HydrophobicContact CB-CD1 4.35Å; L186-L229 HydrophobicContact CD1-CD1 4.36Å; L186-L230 HydrophobicContact CD2-CD2 4.46Å
187	A	98.9	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	165	-177.8	0	0	0	0	0	112	T76 V77 L78 L195 C196 V197 I211	T76-A187 PolarHBondContact O-N 2.7Å; T76-A187 VanDerWaalsContact O-N 3.15Å; V77-A187 CarbonylContact C-O 3.07Å; V77-A187 WeakPolarHBondContact CA-O 3.44Å; V77-A187 HydrophobicContact CG1-CB 4.4Å; V77-A187 HydrophobicContact CG2-CB 4.3Å; L78-A187 PolarHBondContact N-O 3.18Å; A187-L195 HydrophobicContact CB-CD1 3.98Å; A187-C196 CarbonylContact C-O 3.42Å; A187-C196 VanDerWaalsContact CA-O 3.24Å; A187-C196 WeakPolarHBondContact CA-O 3.37Å; A187-V197 HydrophobicContact CB-CG1 3.74Å; A187-I211 HydrophobicContact CB-CD1 4.42Å; A187-I211 HydrophobicContact CB-CG2 4.06Å
188	A	98.9	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.9	164.9	0	0	0	0	0	111.1	L78 I80 L113 L146 C196	L78-A188 HydrophobicContact CB-CB 3.9Å; L78-A188 CarbonylContact O-C 3.41Å; L78-A188 VanDerWaalsContact O-CA 3.29Å; L78-A188 WeakPolarHBondContact O-CA 3.46Å; I80-A188 HydrophobicContact CD1-CB 3.69Å; I80-A188 HydrophobicContact CG1-CB 4.32Å; L113-A188 HydrophobicContact CD1-CB 4.09Å; L113-A188 HydrophobicContact CD2-CB 3.94Å; L146-A188 HydrophobicContact CD1-CB 4.45Å; L146-A188 HydrophobicContact CD2-CB 4.38Å; A188-C196 HydrophobicContact CB-CB 4.13Å; A188-C196 PolarHBondContact N-O 3.24Å; A188-C196 WeakPolarHBondContact O-CB 3.24Å; A188-C196 PolarHBondContact O-N 2.85Å
189	L	98.8	Very high	98.7	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	101.8	164.1	-180	58.5	0	0	0	108.4	V77 L78 I80 F194 L208 L273	V77-L189 HydrophobicContact CG1-CB 4.27Å; L78-L189 PolarHBondContact O-N 3.38Å; I80-L189 PolarHBondContact N-O 2.87Å; L189-F194 WeakPolarHBondContact CA-O 3.29Å; L189-L208 HydrophobicContact CD1-CD1 4.13Å; L189-L208 HydrophobicContact CD2-CD1 3.88Å; L189-L273 HydrophobicContact CD1-CD2 3.49Å; L189-L273 VanDerWaalsContact CD1-CD2 3.49Å
190	M	98.5	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.8	-177.1	-174.2	-84.9	-75.9	0	0	110.8	I80 V84 Q192 Q193 F194 I277 Y323	I80-M190 CarbonylContact O-C 3.15Å; I80-M190 WeakPolarHBondContact O-CA 3.41Å; V84-M190 HydrophobicContact CG1-CE 4.28Å; V84-M190 HydrophobicContact CG1-CG 3.65Å; V84-M190 HydrophobicContact CG1-SD 3.78Å; M190-Q192 PolarHBondContact O-N 3.12Å; M190-Q193 PolarHBondContact O-N 2.77Å; M190-F194 HydrophobicContact CB-CB 4.27Å; M190-F194 HydrophobicContact CE-CB 3.95Å; M190-F194 HydrophobicContact CE-CD2 3.13Å; M190-F194 HydrophobicContact CE-CE2 3.71Å; M190-F194 HydrophobicContact CE-CG 3.66Å; M190-F194 PolarHBondContact N-O 3.34Å; M190-F194 PolarHBondContact O-N 3.34Å; M190-F194 HydrophobicContact SD-CD2 3.59Å; M190-F194 VanDerWaalsContact SD-CD2 3.59Å; M190-F194 HydrophobicContact SD-CE2 4.16Å; M190-I277 HydrophobicContact CE-CD1 3.83Å; M190-Y323 HydrophobicContact CE-CD1 4.11Å; M190-Y323 HydrophobicContact CE-CG 4.29Å; M190-Y323 HydrophobicContact SD-CD1 3.67Å; M190-Y323 HydrophobicContact SD-CE1 4.18Å; M190-Y323 HydrophobicContact SD-CG 4.41Å
191	N	97.8	Very high	98.7	Very high	44 Å²	44	11.9 Å²	11.9	24%	0.235	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	28.6	-180	-158.2	60.9	0	0	0	113.9	I80 A82 Q193 Y323	I80-N191 PolarHBondContact O-N 2.94Å; A82-N191 HydrophobicContact CB-CB 4.37Å; N191-Q193 PolarHBondContact ND2-OE1 3.39Å; N191-Q193 WeakPolarHBondContact O-CG 3.07Å; N191-Q193 PolarHBondContact O-N 3.37Å; N191-Y323 HydrophobicContact CB-CE1 4Å
192	Q	97.7	Very high	98.6	Very high	114 Å²	114	11.9 Å²	11.9	53%	0.533	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	21.7	-173.2	-56.9	-65.2	-46.2	0	0	113.8	D79 M190	D79-Q192 PolarHBondContact OD1-NE2 3.48Å; D79-Q192 VanDerWaalsContact OD1-NE2 3.14Å; M190-Q192 PolarHBondContact O-N 3.12Å
193	Q	97.7	Very high	98.6	Very high	61 Å²	61	13 Å²	13	29%	0.285	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-30.7	-172.5	-76.6	179.1	-48.9	0	0	112.7	M190 N191 L274 Y323	M190-Q193 PolarHBondContact O-N 2.77Å; N191-Q193 PolarHBondContact ND2-OE1 3.39Å; N191-Q193 WeakPolarHBondContact O-CG 3.07Å; N191-Q193 PolarHBondContact O-N 3.37Å; Q193-L274 HydrophobicContact CB-CB 4.34Å; Q193-L274 PolarHBondContact O-N 2.87Å; Q193-Y323 PolarHBondContact OE1-OH 3.13Å
194	F	98.6	Very high	98.6	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.7	-171.8	-53	-83.2	0	0	0	110.7	L189 M190 L274 S275 I277 F298 Y323 M328	L189-F194 WeakPolarHBondContact CA-O 3.29Å; M190-F194 HydrophobicContact CB-CB 4.27Å; M190-F194 HydrophobicContact CE-CB 3.95Å; M190-F194 HydrophobicContact CE-CD2 3.13Å; M190-F194 HydrophobicContact CE-CE2 3.71Å; M190-F194 HydrophobicContact CE-CG 3.66Å; M190-F194 PolarHBondContact N-O 3.34Å; M190-F194 PolarHBondContact O-N 3.34Å; M190-F194 HydrophobicContact SD-CD2 3.59Å; M190-F194 VanDerWaalsContact SD-CD2 3.59Å; M190-F194 HydrophobicContact SD-CE2 4.16Å; F194-L274 HydrophobicContact CE1-CB 4.28Å; F194-L274 HydrophobicContact CE1-CD2 3.93Å; F194-L274 HydrophobicContact CE1-CG 4.24Å; F194-L274 HydrophobicContact CZ-CD2 3.84Å; F194-S275 WeakPolarHBondContact CA-O 3.33Å; F194-I277 HydrophobicContact CB-CD1 3.9Å; F194-I277 HydrophobicContact CB-CG1 4.29Å; F194-I277 HydrophobicContact CD1-CD1 3.89Å; F194-I277 HydrophobicContact CD1-CG1 4.22Å; F194-I277 HydrophobicContact CG-CD1 3.9Å; F194-F298 AromaticContact CE1-CE1 3.78Å; F194-F298 HydrophobicContact CE1-CE1 3.78Å; F194-F298 HydrophobicContact CE1-CZ 4.13Å; F194-F298 HydrophobicContact CZ-CZ 4.47Å; F194-Y323 HydrophobicContact CE2-CD1 4.47Å; F194-Y323 HydrophobicContact CE2-CE1 4.05Å; F194-Y323 HydrophobicContact CE2-CE2 4.24Å; F194-Y323 AromaticContact CE2-CZ 3.91Å; F194-Y323 HydrophobicContact CZ-CE2 4.37Å; F194-M328 HydrophobicContact CD1-CE 4.37Å; F194-M328 HydrophobicContact CE1-CE 3.69Å; F194-M328 HydrophobicContact CZ-CE 3.78Å
195	L	98.8	Very high	98.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.4	163	173	63.4	0	0	0	108.1	A187 V197 L208 I211 F267 L273 S275 I276 I277	A187-L195 HydrophobicContact CB-CD1 3.98Å; L195-V197 HydrophobicContact CD1-CG1 3.87Å; L195-V197 HydrophobicContact CD2-CG1 4.28Å; L195-V197 HydrophobicContact CG-CG1 3.96Å; L195-L208 HydrophobicContact CD1-CD2 3.89Å; L195-I211 HydrophobicContact CD1-CD1 4.06Å; L195-I211 HydrophobicContact CD2-CD1 4.3Å; L195-F267 HydrophobicContact CD2-CD1 4.43Å; L195-F267 HydrophobicContact CD2-CE1 3.43Å; L195-F267 VanDerWaalsContact CD2-CE1 3.43Å; L195-F267 HydrophobicContact CD2-CZ 3.69Å; L195-L273 HydrophobicContact CB-CD1 3.77Å; L195-S275 PolarHBondContact N-O 3.07Å; L195-I276 HydrophobicContact CB-CG1 4.48Å; L195-I276 CarbonylContact O-C 3.59Å; L195-I276 WeakPolarHBondContact O-CA 3.35Å; L195-I277 PolarHBondContact O-N 3.35Å
196	C	98.9	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.9	175.2	-60.8	0	0	0	0	109.6	L113 L115 A187 A188 I277	L113-C196 HydrophobicContact CD2-CB 3.69Å; L115-C196 HydrophobicContact CD2-CB 3.81Å; A187-C196 CarbonylContact C-O 3.42Å; A187-C196 VanDerWaalsContact CA-O 3.24Å; A187-C196 WeakPolarHBondContact CA-O 3.37Å; A188-C196 HydrophobicContact CB-CB 4.13Å; A188-C196 PolarHBondContact N-O 3.24Å; A188-C196 WeakPolarHBondContact O-CB 3.24Å; A188-C196 PolarHBondContact O-N 2.85Å; C196-I277 VanDerWaalsContact CA-O 3.26Å; C196-I277 WeakPolarHBondContact CA-O 3.47Å
197	V	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	167	179.7	-68.9	0	0	0	0	109.6	A187 L195 L229 I276 I277 R278	A187-V197 HydrophobicContact CB-CG1 3.74Å; L195-V197 HydrophobicContact CD1-CG1 3.87Å; L195-V197 HydrophobicContact CD2-CG1 4.28Å; L195-V197 HydrophobicContact CG-CG1 3.96Å; V197-L229 HydrophobicContact CG1-CD2 3.9Å; V197-I276 HydrophobicContact CG2-CG2 4.19Å; V197-I277 PolarHBondContact N-O 3.3Å; V197-I277 VanDerWaalsContact N-O 3.11Å; V197-R278 HydrophobicContact CG2-CB 4.22Å; V197-R278 WeakPolarHBondContact O-CA 3.29Å; V197-R278 WeakPolarHBondContact O-CB 3.29Å
198	H	98.9	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-74.4	-62.2	175.7	-172.6	58.7	0	0	0	112.4	D89 L115 D117 G148 N149 L230 R278 A279 H280	D89-H198 IonicContact OD1-CE1 3.33Å; D89-H198 PolarHBondContact OD1-CE1 2.91Å; D89-H198 IonicContact OD1-ND1 3.13Å; L115-H198 VanDerWaalsContact O-CB 3.29Å; L115-H198 WeakPolarHBondContact O-CB 3.34Å; L115-H198 PolarHBondContact O-ND1 2.98Å; D117-H198 IonicContact OD1-CE1 3.96Å; D117-H198 IonicContact OD1-NE2 3.74Å; D117-H198 PolarHBondContact OD1-NE2 3.5Å; D117-H198 IonicContact OD2-CE1 3.32Å; D117-H198 PolarHBondContact OD2-CE1 3.03Å; D117-H198 IonicContact OD2-NE2 2.76Å; D117-H198 PolarHBondContact OD2-NE2 3.23Å; G148-H198 VanDerWaalsContact CA-CD2 3.41Å; G148-H198 WeakPolarHBondContact CA-CD2 3.49Å; G148-H198 VanDerWaalsContact CA-CG 3.45Å; N149-H198 PolarHBondContact N-CD2 3.46Å; N149-H198 VanDerWaalsContact N-CD2 3.29Å; N149-H198 PolarHBondContact OD1-CD2 3.13Å; N149-H198 VanDerWaalsContact OD1-CD2 3.26Å; N149-H198 PolarHBondContact OD1-NE2 3.39Å; H198-L230 HydrophobicContact CB-CD2 4.34Å; H198-L230 PolarHBondContact CD2-O 3.03Å; H198-R278 PolarHBondContact O-NE 3.05Å; H198-A279 PolarHBondContact O-N 3.16Å; H198-H280 AromaticContact CD2-ND1 3.94Å; H198-H280 AromaticContact NE2-CG 3.88Å; H198-H280 AromaticContact NE2-ND1 3.52Å; H198-H280 WeakPolarHBondContact O-CB 3.48Å
199	G	98.8	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-84	-81	-179.3	0	0	0	0	0	111.7	L229 S232 R278	G199-L229 VanDerWaalsContact CA-O 3.27Å; G199-L229 WeakPolarHBondContact CA-O 3.18Å; G199-L229 PolarHBondContact N-O 3.22Å; G199-S232 CarbonylContact C-O 3.45Å; G199-S232 WeakPolarHBondContact CA-O 3.3Å; G199-R278 WeakPolarHBondContact O-CB 3.48Å; G199-R278 WeakPolarHBondContact O-CG 3.44Å; G199-R278 PolarHBondContact O-NE 3.46Å; G199-R278 PolarHBondContact O-NH2 2.93Å; G199-R278 VanDerWaalsContact O-NH2 3.13Å
200	G	98.7	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.			trans	171.4	-138.9	-172.7	0	0	0	0	0	114.8	L229 S232	G200-L229 PolarHBondContact N-O 2.89Å; G200-S232 WeakPolarHBondContact CA-OG 3.34Å; G200-S232 PolarHBondContact N-OG 3.38Å; G200-S232 VanDerWaalsContact N-OG 3.11Å
201	L	98.7	Very high	98.4	Very high	3 Å²	3	32 Å²	32	2%	0.016	16%	0.162	C	C	.	.			trans	-90.9	161.2	-172.9	-64.4	179.8	0	0	0	113.4	S232 F247 F259 C264 F267 I276	L201-S232 PolarHBondContact N-OG 2.8Å; L201-S232 VanDerWaalsContact O-CB 3.25Å; L201-S232 WeakPolarHBondContact O-CB 3.37Å; L201-S232 PolarHBondContact O-OG 3.18Å; L201-F247 HydrophobicContact CB-CE1 4Å; L201-F247 HydrophobicContact CB-CZ 4.31Å; L201-F259 HydrophobicContact CB-CB 4.31Å; L201-F259 HydrophobicContact CB-CD1 4.25Å; L201-F259 HydrophobicContact CB-CG 4.11Å; L201-F259 HydrophobicContact CD1-CD2 4.16Å; L201-F259 HydrophobicContact CD1-CG 4.49Å; L201-F259 HydrophobicContact CG-CD2 4.42Å; L201-C264 HydrophobicContact CD1-CB 4.35Å; L201-F267 HydrophobicContact CD1-CB 4.05Å; L201-F267 HydrophobicContact CD1-CG 4.41Å; L201-F267 HydrophobicContact CD2-CB 4.31Å; L201-F267 HydrophobicContact CD2-CD1 3.87Å; L201-F267 HydrophobicContact CD2-CD2 4Å; L201-F267 HydrophobicContact CD2-CE1 4.22Å; L201-F267 HydrophobicContact CD2-CE2 4.33Å; L201-F267 HydrophobicContact CD2-CG 3.77Å; L201-F267 HydrophobicContact CD2-CZ 4.43Å; L201-I276 HydrophobicContact CD1-CD1 3.8Å; L201-I276 HydrophobicContact CD2-CD1 3.58Å; L201-I276 HydrophobicContact CG-CD1 3.75Å
202	S	98.6	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.			trans	-126.6	145.1	174	179.3	0	0	0	0	110.1	E204 I205 D228	S202-E204 PolarHBondContact O-N 3.16Å; S202-E204 PolarHBondContact OG-N 3.4Å; S202-E204 VanDerWaalsContact OG-N 3.11Å; S202-I205 PolarHBondContact O-N 3.37Å; S202-I205 VanDerWaalsContact O-N 3.17Å; S202-D228 VanDerWaalsContact CB-CB 3.47Å; S202-D228 WeakPolarHBondContact CB-OD2 3.3Å; S202-D228 PolarHBondContact OG-OD2 3.06Å
203	P	98.2	Very high	98.4	Very high	41 Å²	41	37.6 Å²	37.6	27%	0.266	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.1	167.8	26.7	-34.8	0	0	0	113.4	H206 F247 F257	P203-H206 PolarHBondContact O-CE1 3.09Å; P203-F247 HydrophobicContact CB-CD2 3.85Å; P203-F247 HydrophobicContact CB-CE2 4.08Å; P203-F247 HydrophobicContact CB-CG 4.11Å; P203-F257 VanDerWaalsContact CD-CD2 3.49Å; P203-F257 HydrophobicContact CG-CD2 3.78Å; P203-F257 HydrophobicContact CG-CE1 4.39Å; P203-F257 HydrophobicContact CG-CE2 3.49Å; P203-F257 VanDerWaalsContact CG-CE2 3.49Å; P203-F257 HydrophobicContact CG-CG 4.35Å; P203-F257 HydrophobicContact CG-CZ 3.82Å
204	E	98	Very high	98.5	Very high	110 Å²	110	35.6 Å²	35.6	51%	0.514	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.9	178.1	-60.8	178.5	-177.5	0	0	113.6	S202 G224 S225	S202-E204 PolarHBondContact O-N 3.16Å; S202-E204 PolarHBondContact OG-N 3.4Å; S202-E204 VanDerWaalsContact OG-N 3.11Å; E204-G224 WeakPolarHBondContact OE2-CA 3.33Å; E204-S225 PolarHBondContact OE2-N 3.27Å
205	I	98.5	Very high	98.5	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	19%	0.19	C	C	.	.			trans	-116.6	105.8	-176.3	-61.8	170.8	0	0	0	108.7	S202 D210 I211 I214 L229 F267	S202-I205 PolarHBondContact O-N 3.37Å; S202-I205 VanDerWaalsContact O-N 3.17Å; I205-D210 HydrophobicContact CB-CB 4.46Å; I205-D210 HydrophobicContact CG1-CB 4.46Å; I205-D210 HydrophobicContact CG2-CB 4.21Å; I205-I211 HydrophobicContact CD1-CG1 4.22Å; I205-I211 HydrophobicContact CG2-CD1 4.13Å; I205-I211 HydrophobicContact CG2-CG1 3.61Å; I205-I214 HydrophobicContact CD1-CD1 4.37Å; I205-L229 HydrophobicContact CD1-CD1 3.71Å; I205-L229 HydrophobicContact CD1-CD2 3.7Å; I205-L229 HydrophobicContact CD1-CG 3.49Å; I205-L229 VanDerWaalsContact CD1-CG 3.49Å; I205-F267 HydrophobicContact CG2-CE2 4.03Å
206	H	98	Very high	98.4	Very high	121 Å²	121	40.3 Å²	40.3	56%	0.56	19%	0.191	S	C	*	.			trans	-104.5	-27.9	178	-55.4	-56.7	0	0	0	112	P203 D210 N271	P203-H206 PolarHBondContact O-CE1 3.09Å; H206-D210 WeakPolarHBondContact CA-OD2 3.48Å; H206-D210 PolarHBondContact N-OD2 3.05Å; H206-N271 PolarHBondContact O-ND2 3.11Å
207	T	98.3	Very high	98.4	Very high	45 Å²	45	45.4 Å²	45.4	28%	0.276	21%	0.211	S	C	.	.	S	Bend	trans	-131.5	159.1	-177.9	68.3	0	0	0	0	112.2	D209 D210 T270 N271	T207-D209 PolarHBondContact O-N 2.94Å; T207-D210 PolarHBondContact N-OD2 2.97Å; T207-D210 WeakPolarHBondContact O-CB 3.48Å; T207-D210 PolarHBondContact O-N 2.76Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-N 2.96Å; T207-D210 PolarHBondContact OG1-OD1 3.36Å; T207-D210 PolarHBondContact OG1-OD2 3.16Å; T207-T270 HydrophobicContact CG2-CG2 4.34Å; T207-N271 WeakPolarHBondContact CA-OD1 3.19Å
208	L	97.8	Very high	98.4	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-29.6	171.7	-68	175.2	0	0	0	112.8	L189 L195 D210 I211 R212 F267 N271 L273	L189-L208 HydrophobicContact CD1-CD1 4.13Å; L189-L208 HydrophobicContact CD2-CD1 3.88Å; L195-L208 HydrophobicContact CD1-CD2 3.89Å; L208-D210 PolarHBondContact O-N 3.17Å; L208-I211 HydrophobicContact CD2-CD1 4.29Å; L208-I211 PolarHBondContact O-N 2.87Å; L208-R212 WeakPolarHBondContact O-CG 3.34Å; L208-R212 PolarHBondContact O-N 3.38Å; L208-R212 VanDerWaalsContact O-N 3.16Å; L208-F267 HydrophobicContact CD2-CZ 4.47Å; L208-N271 PolarHBondContact N-OD1 3.06Å; L208-L273 HydrophobicContact CD2-CD1 4.46Å
209	D	98.2	Very high	98.3	Very high	84 Å²	84	53.6 Å²	53.6	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-26.5	176.4	-74	-29.8	0	0	0	112.6	T207 I211 R212 R213	T207-D209 PolarHBondContact O-N 2.94Å; D209-I211 VanDerWaalsContact C-N 3.31Å; D209-R212 PolarHBondContact O-N 2.88Å; D209-R212 IonicContact OD1-CZ 3.58Å; D209-R212 IonicContact OD1-NH1 2.79Å; D209-R212 PolarHBondContact OD1-NH1 3.44Å; D209-R213 WeakPolarHBondContact O-CG 3.42Å; D209-R213 PolarHBondContact O-N 3.26Å; D209-R213 PolarHBondContact O-NH1 3.49Å
210	D	98.5	Very high	98.3	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-39.9	175.5	-54.4	-29.6	0	0	0	110.2	I205 H206 T207 L208 R213	I205-D210 HydrophobicContact CB-CB 4.46Å; I205-D210 HydrophobicContact CG1-CB 4.46Å; I205-D210 HydrophobicContact CG2-CB 4.21Å; H206-D210 WeakPolarHBondContact CA-OD2 3.48Å; H206-D210 PolarHBondContact N-OD2 3.05Å; T207-D210 PolarHBondContact N-OD2 2.97Å; T207-D210 WeakPolarHBondContact O-CB 3.48Å; T207-D210 PolarHBondContact O-N 2.76Å; T207-D210 VanDerWaalsContact OG1-CG 3.26Å; T207-D210 PolarHBondContact OG1-N 2.96Å; T207-D210 PolarHBondContact OG1-OD1 3.36Å; T207-D210 PolarHBondContact OG1-OD2 3.16Å; L208-D210 PolarHBondContact O-N 3.17Å; D210-R213 PolarHBondContact O-N 3.34Å; D210-R213 IonicContact OD1-CZ 3.79Å; D210-R213 IonicContact OD1-NH1 3.97Å; D210-R213 PolarHBondContact OD1-NH1 3.18Å; D210-R213 IonicContact OD1-NH2 3.8Å; D210-R213 PolarHBondContact OD1-NH2 2.88Å
211	I	98.6	Very high	98.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-44.3	175	-50.1	177.5	0	0	0	110.8	T76 V77 A187 L195 I205 L208 D209 R213 I214 L229	T76-I211 HydrophobicContact CG2-CG2 4.39Å; T76-I211 WeakPolarHBondContact CG2-O 3.29Å; V77-I211 HydrophobicContact CG2-CB 3.71Å; V77-I211 HydrophobicContact CG2-CG2 3.48Å; V77-I211 VanDerWaalsContact CG2-CG2 3.48Å; A187-I211 HydrophobicContact CB-CD1 4.42Å; A187-I211 HydrophobicContact CB-CG2 4.06Å; L195-I211 HydrophobicContact CD1-CD1 4.06Å; L195-I211 HydrophobicContact CD2-CD1 4.3Å; I205-I211 HydrophobicContact CD1-CG1 4.22Å; I205-I211 HydrophobicContact CG2-CD1 4.13Å; I205-I211 HydrophobicContact CG2-CG1 3.61Å; L208-I211 HydrophobicContact CD2-CD1 4.29Å; L208-I211 PolarHBondContact O-N 2.87Å; D209-I211 VanDerWaalsContact C-N 3.31Å; I211-R213 PolarHBondContact O-N 2.97Å; I211-I214 HydrophobicContact CG2-CD1 4.49Å; I211-I214 WeakPolarHBondContact O-CB 3.36Å; I211-I214 PolarHBondContact O-N 2.88Å; I211-I214 VanDerWaalsContact O-N 3.13Å; I211-L229 HydrophobicContact CD1-CD2 4.18Å; I211-L229 HydrophobicContact CG1-CD1 4.46Å; I211-L229 HydrophobicContact CG1-CD2 4.46Å; I211-L229 HydrophobicContact CG2-CD1 3.88Å
212	R	98.4	Very high	98.1	Very high	105 Å²	105	56.4 Å²	56.4	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-27.4	-179.8	-68.5	177.1	-176.3	121.7	1.4	113	V77 L208 D209	V77-R212 HydrophobicContact CB-CG 4.06Å; V77-R212 HydrophobicContact CG2-CG 3.65Å; L208-R212 WeakPolarHBondContact O-CG 3.34Å; L208-R212 PolarHBondContact O-N 3.38Å; L208-R212 VanDerWaalsContact O-N 3.16Å; D209-R212 PolarHBondContact O-N 2.88Å; D209-R212 IonicContact OD1-CZ 3.58Å; D209-R212 IonicContact OD1-NH1 2.79Å; D209-R212 PolarHBondContact OD1-NH1 3.44Å
213	R	98.2	Very high	98	Very high	169 Å²	169	64 Å²	64	64%	0.638	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.2	-179.6	-68.8	-171.9	-49.2	-93.3	10.2	114.3	D209 D210 I211 D215	D209-R213 WeakPolarHBondContact O-CG 3.42Å; D209-R213 PolarHBondContact O-N 3.26Å; D209-R213 PolarHBondContact O-NH1 3.49Å; D210-R213 PolarHBondContact O-N 3.34Å; D210-R213 IonicContact OD1-CZ 3.79Å; D210-R213 IonicContact OD1-NH1 3.97Å; D210-R213 PolarHBondContact OD1-NH1 3.18Å; D210-R213 IonicContact OD1-NH2 3.8Å; D210-R213 PolarHBondContact OD1-NH2 2.88Å; I211-R213 PolarHBondContact O-N 2.97Å; R213-D215 PolarHBondContact O-N 2.76Å
214	I	98.4	Very high	98	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.097	29%	0.29	C	S	.	.			trans	-69.6	125	178.3	-61.3	173.3	0	0	0	109.7	L186 I205 I211 R216 M226 L229	L186-I214 HydrophobicContact CD1-CB 4.22Å; L186-I214 HydrophobicContact CD1-CD1 4.34Å; L186-I214 HydrophobicContact CD1-CG2 3.71Å; I205-I214 HydrophobicContact CD1-CD1 4.37Å; I211-I214 HydrophobicContact CG2-CD1 4.49Å; I211-I214 WeakPolarHBondContact O-CB 3.36Å; I211-I214 PolarHBondContact O-N 2.88Å; I211-I214 VanDerWaalsContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 2.82Å; I214-R216 VanDerWaalsContact O-N 3.13Å; I214-M226 HydrophobicContact CG2-CB 3.88Å; I214-M226 HydrophobicContact CG2-CG 4.21Å; I214-M226 HydrophobicContact CG2-SD 4.45Å; I214-L229 HydrophobicContact CD1-CD1 3.57Å
215	D	98.3	Very high	98	Very high	98 Å²	98	58.8 Å²	58.8	52%	0.524	28%	0.276	S	S	.	.			trans	-73	98.4	165.6	176.7	21.5	0	0	0	109.5	R213 Y217 R218	R213-D215 PolarHBondContact O-N 2.76Å; D215-Y217 PolarHBondContact OD1-N 2.9Å; D215-R218 VanDerWaalsContact O-CD 3.29Å; D215-R218 WeakPolarHBondContact O-CD 3.24Å; D215-R218 WeakPolarHBondContact O-CG 3.48Å
216	R	98.5	Very high	98	Very high	3 Å²	3	58.8 Å²	58.8	1%	0.011	28%	0.276	C	S	.	.			trans	-83.3	-14.1	-174.5	76.1	179.7	-168.6	-94.9	0.6	114.4	L71 E74 T76 R147 C183 L184 L186 I214 R218 M226	L71-R216 PolarHBondContact O-NH2 2.85Å; E74-R216 PolarHBondContact O-NH1 3.02Å; E74-R216 PolarHBondContact O-NH2 2.99Å; T76-R216 HydrophobicContact CG2-CB 4.43Å; T76-R216 PolarHBondContact OG1-NH1 2.82Å; R147-R216 PolarHBondContact NH1-O 2.9Å; C183-R216 PolarHBondContact O-NE 2.79Å; C183-R216 VanDerWaalsContact O-NE 3.11Å; C183-R216 PolarHBondContact O-NH2 2.79Å; L184-R216 WeakPolarHBondContact O-CD 3.35Å; L184-R216 PolarHBondContact O-NE 2.96Å; L186-R216 HydrophobicContact CD1-CB 3.85Å; L186-R216 HydrophobicContact CD2-CB 4.29Å; L186-R216 HydrophobicContact CG-CB 3.92Å; I214-R216 PolarHBondContact O-N 2.82Å; I214-R216 VanDerWaalsContact O-N 3.13Å; R216-R218 PolarHBondContact O-N 2.82Å; R216-M226 WeakPolarHBondContact O-CE 3.37Å
217	Y	98.3	Very high	98	Very high	107 Å²	107	53 Å²	53	42%	0.42	25%	0.249	S	C	.	.	S	Bend	trans	-79.7	54.1	-169.3	-55.2	-67.3	0	0	0	113.3	R72 D182 D215	R72-Y217 HydrophobicContact CG-CE1 4.21Å; R72-Y217 PolarHBondContact O-OH 3.33Å; R72-Y217 VanDerWaalsContact O-OH 3.1Å; D182-Y217 WeakPolarHBondContact O-CA 3.43Å; D215-Y217 PolarHBondContact OD1-N 2.9Å
218	R	98.3	Very high	98	Very high	121 Å²	121	51 Å²	51	46%	0.457	24%	0.236	S	C	.	.	S	Bend	trans	-160.6	164.9	-171.2	55.5	-176.4	-72.6	174.6	-4.9	110.7	R147 D182 D215 R216 M226	R147-R218 PolarHBondContact NH1-O 2.84Å; D182-R218 VanDerWaalsContact OD1-C 3.27Å; D215-R218 VanDerWaalsContact O-CD 3.29Å; D215-R218 WeakPolarHBondContact O-CD 3.24Å; D215-R218 WeakPolarHBondContact O-CG 3.48Å; R216-R218 PolarHBondContact O-N 2.82Å; R218-M226 HydrophobicContact CG-CE 4.43Å; R218-M226 HydrophobicContact CG-SD 4.09Å
219	E	98.2	Very high	98.1	Very high	51 Å²	51	50.3 Å²	50.3	24%	0.238	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-58.1	133.2	163.3	-172.3	70.6	-174	0	0	109.9	C152 R153 H154	C152-E219 VanDerWaalsContact CB-OE1 3.29Å; C152-E219 WeakPolarHBondContact CB-OE1 3.37Å; R153-E219 WeakPolarHBondContact CB-OE2 3.46Å; R153-E219 WeakPolarHBondContact CG-OE2 3.39Å; R153-E219 IonicContact CZ-OE2 2.88Å; R153-E219 PolarHBondContact N-OE1 2.99Å; R153-E219 PolarHBondContact N-OE2 2.84Å; R153-E219 IonicContact NH1-OE2 3.56Å; R153-E219 PolarHBondContact NH1-OE2 2.76Å; H154-E219 PolarHBondContact N-OE1 3.08Å
220	P	98.3	Very high	98.1	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.084	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-55.5	129.4	175.9	-24.7	34.2	0	0	0	111.1	C152 M226 L230	C152-P220 HydrophobicContact CB-CG 3.96Å; P220-M226 HydrophobicContact CB-CE 4.38Å; P220-M226 HydrophobicContact CG-CE 4.11Å; P220-L230 HydrophobicContact CB-CD1 4.08Å; P220-L230 HydrophobicContact CG-CD1 3.86Å
221	P	97.5	Very high	98.1	Very high	31 Å²	31	45.5 Å²	45.5	20%	0.201	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.5	165.8	174.6	29.5	-34.7	0	0	0	111.3	F223 M226 C227	P221-F223 WeakPolarHBondContact CB-O 3.38Å; P221-F223 VanDerWaalsContact CG-O 3.3Å; P221-F223 WeakPolarHBondContact CG-O 3.21Å; P221-F223 PolarHBondContact O-N 3.46Å; P221-M226 HydrophobicContact CG-CB 4.28Å; P221-C227 WeakPolarHBondContact O-CB 3.41Å
222	A	95.1	Very high	98.1	Very high	19 Å²	19	45.5 Å²	45.5	16%	0.157	21%	0.207	C	C	.	.	S	Bend	trans	-74.3	-13	177.4	0	0	0	0	0	113.8	M473	A222-M473 HydrophobicContact CB-CE 4.41Å
223	F	96.8	Very high	98.1	Very high	159 Å²	159	40.6 Å²	40.6	70%	0.697	19%	0.188	S	C	*	.	S	Bend	trans	-155.1	165	-175.9	58.9	-95.4	0	0	0	109.5	P221	P221-F223 WeakPolarHBondContact CB-O 3.38Å; P221-F223 VanDerWaalsContact CG-O 3.3Å; P221-F223 WeakPolarHBondContact CG-O 3.21Å; P221-F223 PolarHBondContact O-N 3.46Å
224	G	97.6	Very high	98.1	Very high	12 Å²	12	32.7 Å²	32.7	12%	0.124	16%	0.159	C	C	.	.	S	Bend	trans	95.5	170.7	178.5	0	0	0	0	0	112.9	E204 M226 C227 D228	E204-G224 WeakPolarHBondContact OE2-CA 3.33Å; G224-M226 VanDerWaalsContact C-N 3.31Å; G224-M226 PolarHBondContact O-N 2.88Å; G224-C227 WeakPolarHBondContact O-CA 3.32Å; G224-C227 VanDerWaalsContact O-CB 3.27Å; G224-C227 WeakPolarHBondContact O-CB 3.35Å; G224-C227 PolarHBondContact O-N 3.16Å; G224-D228 PolarHBondContact O-N 2.87Å
225	S	98	Very high	98.1	Very high	30 Å²	30	33.2 Å²	33.2	21%	0.21	16%	0.161	C	C	.	.	H	α-helix	trans	-39.7	-47.1	-175.6	47.4	0	0	0	0	116.4	E204 D228 L229	E204-S225 PolarHBondContact OE2-N 3.27Å; S225-D228 PolarHBondContact O-N 3.36Å; S225-L229 WeakPolarHBondContact O-CG 3.32Å; S225-L229 PolarHBondContact O-N 2.6Å
226	M	98.7	Very high	97.9	Very high	6 Å²	6	37 Å²	37	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-39.8	178	-173.8	-177.7	-178.3	0	0	112.9	R147 L186 I214 R216 R218 P220 P221 G224 D228 L230	R147-M226 VanDerWaalsContact NH1-CE 3.33Å; L186-M226 HydrophobicContact CD1-CG 4Å; L186-M226 HydrophobicContact CD2-CE 4.18Å; I214-M226 HydrophobicContact CG2-CB 3.88Å; I214-M226 HydrophobicContact CG2-CG 4.21Å; I214-M226 HydrophobicContact CG2-SD 4.45Å; R216-M226 WeakPolarHBondContact O-CE 3.37Å; R218-M226 HydrophobicContact CG-CE 4.43Å; R218-M226 HydrophobicContact CG-SD 4.09Å; P220-M226 HydrophobicContact CB-CE 4.38Å; P220-M226 HydrophobicContact CG-CE 4.11Å; P221-M226 HydrophobicContact CG-CB 4.28Å; G224-M226 VanDerWaalsContact C-N 3.31Å; G224-M226 PolarHBondContact O-N 2.88Å; M226-D228 VanDerWaalsContact C-N 3.34Å; M226-L230 WeakPolarHBondContact O-CG 3.49Å
227	C	98.6	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-46.1	175.1	-179.1	0	0	0	0	109.8	P221 G224 L229 L230 W231	P221-C227 WeakPolarHBondContact O-CB 3.41Å; G224-C227 WeakPolarHBondContact O-CA 3.32Å; G224-C227 VanDerWaalsContact O-CB 3.27Å; G224-C227 WeakPolarHBondContact O-CB 3.35Å; G224-C227 PolarHBondContact O-N 3.16Å; C227-L229 PolarHBondContact O-N 3.07Å; C227-L230 PolarHBondContact O-N 2.89Å; C227-L230 VanDerWaalsContact O-N 3.09Å; C227-W231 WeakPolarHBondContact O-CB 3.15Å; C227-W231 PolarHBondContact O-N 2.91Å
228	D	98.7	Very high	97.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.3	-37.1	-172	-60.5	-17.4	0	0	0	112.8	S202 G224 S225 M226 L230 W231 S232 S256	S202-D228 VanDerWaalsContact CB-CB 3.47Å; S202-D228 WeakPolarHBondContact CB-OD2 3.3Å; S202-D228 PolarHBondContact OG-OD2 3.06Å; G224-D228 PolarHBondContact O-N 2.87Å; S225-D228 PolarHBondContact O-N 3.36Å; M226-D228 VanDerWaalsContact C-N 3.34Å; D228-L230 PolarHBondContact O-N 3.31Å; D228-W231 PolarHBondContact O-N 2.98Å; D228-S232 WeakPolarHBondContact O-CB 3.43Å; D228-S232 PolarHBondContact O-N 3.28Å; D228-S232 PolarHBondContact O-OG 2.88Å; D228-S256 WeakPolarHBondContact CA-OG 3.39Å; D228-S256 PolarHBondContact OD1-OG 2.91Å
229	L	98.7	Very high	97.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-31	172.6	-76.2	169.7	0	0	0	112.7	L186 V197 G199 G200 I205 I211 I214 S225 C227	L186-L229 HydrophobicContact CB-CD1 4.35Å; L186-L229 HydrophobicContact CD1-CD1 4.36Å; V197-L229 HydrophobicContact CG1-CD2 3.9Å; G199-L229 VanDerWaalsContact CA-O 3.27Å; G199-L229 WeakPolarHBondContact CA-O 3.18Å; G199-L229 PolarHBondContact N-O 3.22Å; G200-L229 PolarHBondContact N-O 2.89Å; I205-L229 HydrophobicContact CD1-CD1 3.71Å; I205-L229 HydrophobicContact CD1-CD2 3.7Å; I205-L229 HydrophobicContact CD1-CG 3.49Å; I205-L229 VanDerWaalsContact CD1-CG 3.49Å; I211-L229 HydrophobicContact CD1-CD2 4.18Å; I211-L229 HydrophobicContact CG1-CD1 4.46Å; I211-L229 HydrophobicContact CG1-CD2 4.46Å; I211-L229 HydrophobicContact CG2-CD1 3.88Å; I214-L229 HydrophobicContact CD1-CD1 3.57Å; S225-L229 WeakPolarHBondContact O-CG 3.32Å; S225-L229 PolarHBondContact O-N 2.6Å; C227-L229 PolarHBondContact O-N 3.07Å
230	L	98.8	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-95.1	-24.7	-177	-56.8	179.7	0	0	0	113.2	R147 N149 L186 H198 P220 M226 C227 D228	R147-L230 HydrophobicContact CB-CD2 4.29Å; R147-L230 WeakPolarHBondContact O-CD2 3.32Å; N149-L230 HydrophobicContact CB-CB 4.23Å; L186-L230 HydrophobicContact CD2-CD2 4.46Å; H198-L230 HydrophobicContact CB-CD2 4.34Å; H198-L230 PolarHBondContact CD2-O 3.03Å; P220-L230 HydrophobicContact CB-CD1 4.08Å; P220-L230 HydrophobicContact CG-CD1 3.86Å; M226-L230 WeakPolarHBondContact O-CG 3.49Å; C227-L230 PolarHBondContact O-N 2.89Å; C227-L230 VanDerWaalsContact O-N 3.09Å; D228-L230 PolarHBondContact O-N 3.31Å
231	W	98.8	Very high	97.2	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.038	18%	0.181	C	C	.	.	H	α-helix	trans	-124.4	-9.7	-167.5	-76.5	95.5	0	0	0	115.8	N149 L155 C227 D228 R253 M473	N149-W231 HydrophobicContact CB-CD2 3.92Å; N149-W231 VanDerWaalsContact CB-CE2 3.5Å; N149-W231 HydrophobicContact CB-CG 4.28Å; N149-W231 HydrophobicContact CB-CH2 4.44Å; N149-W231 HydrophobicContact CB-CZ2 3.8Å; N149-W231 WeakPolarHBondContact ND2-CH2 3.14Å; L155-W231 HydrophobicContact CD1-CH2 4.14Å; L155-W231 HydrophobicContact CD1-CZ2 3.78Å; L155-W231 HydrophobicContact CD2-CH2 3.68Å; L155-W231 HydrophobicContact CD2-CZ2 3.5Å; L155-W231 HydrophobicContact CG-CH2 4.43Å; L155-W231 HydrophobicContact CG-CZ2 4.29Å; C227-W231 WeakPolarHBondContact O-CB 3.15Å; C227-W231 PolarHBondContact O-N 2.91Å; D228-W231 PolarHBondContact O-N 2.98Å; W231-R253 HydrophobicContact CE3-CB 4.02Å; W231-R253 HydrophobicContact CE3-CG 4.17Å; W231-R253 HydrophobicContact CZ3-CB 4.43Å; W231-M473 HydrophobicContact CH2-CB 3.88Å; W231-M473 HydrophobicContact CH2-CG 4.41Å; W231-M473 HydrophobicContact CZ2-CB 4.16Å; W231-M473 HydrophobicContact CZ2-CG 4.26Å; W231-M473 HydrophobicContact CZ3-CB 4.18Å
232	S	98.6	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.			trans	-73.1	149.1	179.8	59.5	0	0	0	0	111.7	G199 G200 L201 D228 S256 F257 R278	G199-S232 CarbonylContact C-O 3.45Å; G199-S232 WeakPolarHBondContact CA-O 3.3Å; G200-S232 WeakPolarHBondContact CA-OG 3.34Å; G200-S232 PolarHBondContact N-OG 3.38Å; G200-S232 VanDerWaalsContact N-OG 3.11Å; L201-S232 PolarHBondContact N-OG 2.8Å; L201-S232 VanDerWaalsContact O-CB 3.25Å; L201-S232 WeakPolarHBondContact O-CB 3.37Å; L201-S232 PolarHBondContact O-OG 3.18Å; D228-S232 WeakPolarHBondContact O-CB 3.43Å; D228-S232 PolarHBondContact O-N 3.28Å; D228-S232 PolarHBondContact O-OG 2.88Å; S232-S256 VanDerWaalsContact CA-OG 3.29Å; S232-S256 WeakPolarHBondContact CA-OG 3.14Å; S232-S256 WeakPolarHBondContact CB-OG 3.36Å; S232-S256 PolarHBondContact N-OG 3.24Å; S232-F257 VanDerWaalsContact CA-O 3.29Å; S232-F257 WeakPolarHBondContact CA-O 3.3Å; S232-F257 VanDerWaalsContact CB-O 3.25Å; S232-F257 WeakPolarHBondContact CB-O 3.35Å; S232-R278 PolarHBondContact O-NH2 2.99Å; S232-R278 VanDerWaalsContact O-NH2 3.09Å
233	D	98.8	Very high	96.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.8	178.2	-67.4	-54.5	0	0	0	110	N250 R253 F257 F258 F259 R278 H280 E281	D233-N250 PolarHBondContact OD2-ND2 2.9Å; D233-R253 IonicContact OD1-NE 3.33Å; D233-R253 IonicContact OD1-NH2 3.59Å; D233-R253 PolarHBondContact OD1-NH2 2.83Å; D233-R253 VanDerWaalsContact OD2-CG 3.31Å; D233-R253 WeakPolarHBondContact OD2-CG 3.26Å; D233-R253 IonicContact OD2-CZ 3.04Å; D233-R253 IonicContact OD2-NE 2.77Å; D233-R253 PolarHBondContact OD2-NE 2.7Å; D233-R253 IonicContact OD2-NH2 2.97Å; D233-F257 PolarHBondContact N-O 3.25Å; D233-F258 HydrophobicContact CB-CD1 3.82Å; D233-F258 HydrophobicContact CB-CE1 3.84Å; D233-F258 CarbonylContact O-C 3.59Å; D233-F258 WeakPolarHBondContact O-CA 3.26Å; D233-F259 WeakPolarHBondContact O-CD1 3.13Å; D233-F259 WeakPolarHBondContact O-CE1 3.46Å; D233-F259 PolarHBondContact O-N 3.45Å; D233-R278 IonicContact OD1-CZ 2.69Å; D233-R278 IonicContact OD1-NH1 3.84Å; D233-R278 IonicContact OD1-NH2 2.75Å; D233-R278 PolarHBondContact OD1-NH2 3.4Å; D233-H280 IonicContact OD1-CD2 3.72Å; D233-H280 PolarHBondContact OD1-CD2 3.1Å; D233-H280 IonicContact OD1-NE2 2.6Å; D233-E281 VanDerWaalsContact OD1-CG 3.29Å; D233-E281 WeakPolarHBondContact OD1-CG 3.21Å
234	P	98.5	Very high	96.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	152.1	164	27.6	-33.1	0	0	0	110.7	F238 F258 F259 E281 Y290 L301	P234-F238 HydrophobicContact CB-CB 4.1Å; P234-F238 HydrophobicContact CB-CD2 3.6Å; P234-F238 HydrophobicContact CB-CE2 4.18Å; P234-F238 HydrophobicContact CB-CG 4.01Å; P234-F258 WeakPolarHBondContact O-CD1 3.17Å; P234-F259 WeakPolarHBondContact CA-O 3.4Å; P234-F259 HydrophobicContact CB-CE2 4.13Å; P234-F259 HydrophobicContact CB-CZ 4.15Å; P234-E281 WeakPolarHBondContact CD-OE2 3.26Å; P234-Y290 HydrophobicContact CB-CE1 3.97Å; P234-Y290 HydrophobicContact CG-CE1 3.67Å; P234-Y290 WeakPolarHBondContact CG-OH 3.13Å; P234-L301 HydrophobicContact CB-CD2 3.61Å; P234-L301 HydrophobicContact CG-CD2 3.75Å
235	L	97.6	Very high	96.1	Very high	30 Å²	30	47 Å²	47	16%	0.157	25%	0.249	C	C	.	.			trans	-54.7	149.2	168.6	-76.9	168.5	0	0	0	111.8	D237 F238 E241 F258 F259	L235-D237 PolarHBondContact O-N 3.49Å; L235-F238 HydrophobicContact CB-CB 4.43Å; L235-F238 WeakPolarHBondContact O-CB 3.49Å; L235-F238 PolarHBondContact O-N 3.26Å; L235-E241 HydrophobicContact CD1-CG 3.54Å; L235-F258 HydrophobicContact CD2-CB 3.5Å; L235-F258 VanDerWaalsContact CD2-CB 3.5Å; L235-F258 HydrophobicContact CD2-CD2 4.29Å; L235-F258 HydrophobicContact CD2-CG 4Å; L235-F258 HydrophobicContact CG-CB 3.92Å; L235-F259 PolarHBondContact N-O 3.12Å; L235-F259 VanDerWaalsContact N-O 3.07Å
236	E	94	Very high	96.1	Very high	179 Å²	179	49.1 Å²	49.1	84%	0.836	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.1	177.8	-173.3	176.6	178.5	0	0	111.5
237	D	95.4	Very high	96.1	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	23.7	175.7	64.8	-20	0	0	0	113.5	L235 G239 S240 E241	L235-D237 PolarHBondContact O-N 3.49Å; D237-G239 PolarHBondContact O-N 3.39Å; D237-S240 CarbonylContact O-C 3.51Å; D237-S240 WeakPolarHBondContact O-CA 3.17Å; D237-S240 PolarHBondContact O-N 3.42Å; D237-S240 PolarHBondContact O-OG 3.46Å; D237-E241 PolarHBondContact O-N 3.45Å
238	F	97.4	Very high	96	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	121.6	-178.4	-176.9	-82.4	0	0	0	113.1	P234 L235 E241 F259 S260 Y261 C264 Y290 L301	P234-F238 HydrophobicContact CB-CB 4.1Å; P234-F238 HydrophobicContact CB-CD2 3.6Å; P234-F238 HydrophobicContact CB-CE2 4.18Å; P234-F238 HydrophobicContact CB-CG 4.01Å; L235-F238 HydrophobicContact CB-CB 4.43Å; L235-F238 WeakPolarHBondContact O-CB 3.49Å; L235-F238 PolarHBondContact O-N 3.26Å; F238-E241 VanDerWaalsContact CA-OE1 3.29Å; F238-E241 WeakPolarHBondContact CA-OE1 3.32Å; F238-F259 HydrophobicContact CE2-CD2 4.05Å; F238-F259 HydrophobicContact CE2-CE2 4.05Å; F238-S260 WeakPolarHBondContact CE2-O 3.34Å; F238-Y261 HydrophobicContact CD1-CD2 4.42Å; F238-Y261 AromaticContact CE1-CD2 3.76Å; F238-Y261 HydrophobicContact CE1-CD2 3.76Å; F238-Y261 HydrophobicContact CE1-CG 4.39Å; F238-Y261 VanDerWaalsContact CE2-CA 3.46Å; F238-Y261 VanDerWaalsContact CE2-N 3.34Å; F238-Y261 HydrophobicContact CZ-CD2 4.17Å; F238-C264 HydrophobicContact CE2-CB 4Å; F238-C264 HydrophobicContact CZ-CB 3.76Å; F238-Y290 HydrophobicContact CB-CD1 4.11Å; F238-Y290 HydrophobicContact CB-CE1 4.44Å; F238-Y290 AromaticContact CD1-CD1 3.6Å; F238-Y290 HydrophobicContact CD1-CD1 3.6Å; F238-Y290 HydrophobicContact CD1-CG 4.07Å; F238-Y290 HydrophobicContact CE1-CD1 4.19Å; F238-Y290 HydrophobicContact CE1-CG 4.23Å; F238-Y290 HydrophobicContact CG-CD1 4Å; F238-L301 HydrophobicContact CE1-CB 4.26Å; F238-L301 HydrophobicContact CE2-CD2 4.27Å; F238-L301 HydrophobicContact CZ-CB 4.07Å; F238-L301 HydrophobicContact CZ-CD2 4.17Å
239	G	95.5	Very high	96	Very high	10 Å²	10	59 Å²	59	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	1.4	-174.4	0	0	0	0	0	115	D237 E241 R291	D237-G239 PolarHBondContact O-N 3.39Å; G239-E241 VanDerWaalsContact C-OE2 3.22Å; G239-E241 WeakPolarHBondContact CA-OE2 3.34Å; G239-E241 PolarHBondContact N-OE1 3.18Å; G239-E241 PolarHBondContact N-OE2 3.06Å; G239-R291 VanDerWaalsContact CA-CD 3.46Å; G239-R291 WeakPolarHBondContact O-CD 3.18Å; G239-R291 PolarHBondContact O-NH1 3.4Å
240	S	95	Very high	95.9	Very high	88 Å²	88	59 Å²	59	62%	0.615	31%	0.305	S	S	*	.	S	Bend	trans	-137.5	24.1	175	54.6	0	0	0	0	112.2	D237	D237-S240 CarbonylContact O-C 3.51Å; D237-S240 WeakPolarHBondContact O-CA 3.17Å; D237-S240 PolarHBondContact O-N 3.42Å; D237-S240 PolarHBondContact O-OG 3.46Å
241	E	92.6	Very high	95.8	Very high	38 Å²	38	62.7 Å²	62.7	18%	0.178	33%	0.33	C	S	.	.			trans	-61.1	145.8	-175.2	-56.9	87.2	163.1	0	0	111.9	L235 D237 F238 G239 Y261	L235-E241 HydrophobicContact CD1-CG 3.54Å; D237-E241 PolarHBondContact O-N 3.45Å; F238-E241 VanDerWaalsContact CA-OE1 3.29Å; F238-E241 WeakPolarHBondContact CA-OE1 3.32Å; G239-E241 VanDerWaalsContact C-OE2 3.22Å; G239-E241 WeakPolarHBondContact CA-OE2 3.34Å; G239-E241 PolarHBondContact N-OE1 3.18Å; G239-E241 PolarHBondContact N-OE2 3.06Å; E241-Y261 VanDerWaalsContact OE1-CB 3.31Å; E241-Y261 WeakPolarHBondContact OE1-CB 3.48Å; E241-Y261 PolarHBondContact OE1-N 2.87Å
242	K	91.7	Very high	95.5	Very high	204 Å²	204	64.3 Å²	64.3	89%	0.887	34%	0.341	S	S	*	.	S	Bend	trans	-92.2	-30.3	171.3	-64.2	178.9	-176.2	172.3	0	113
243	S	90	Very high	95.5	Very high	60 Å²	60	64.5 Å²	64.5	42%	0.42	34%	0.342	S	S	.	.	S	Bend	trans	-86	150	174.4	-167.9	0	0	0	0	110	D245	S243-D245 VanDerWaalsContact C-N 3.33Å; S243-D245 PolarHBondContact OG-N 2.94Å; S243-D245 PolarHBondContact OG-OD2 3.38Å
244	L	88.5	Confident	95.3	Very high	143 Å²	143	65.9 Å²	65.9	75%	0.749	36%	0.356	S	S	*	.			trans	-92.6	4.6	172.5	-63	172.6	0	0	0	112	H246	L244-H246 PolarHBondContact O-N 3.31Å
245	D	95.4	Very high	95.2	Very high	103 Å²	103	66.1 Å²	66.1	55%	0.551	36%	0.358	S	S	*	.			trans	-67	129.8	179.1	-60	-43.3	0	0	0	110.4	S243 F247 S260	S243-D245 VanDerWaalsContact C-N 3.33Å; S243-D245 PolarHBondContact OG-N 2.94Å; S243-D245 PolarHBondContact OG-OD2 3.38Å; D245-F247 VanDerWaalsContact C-N 3.33Å; D245-S260 PolarHBondContact O-OG 3.06Å
246	H	97.3	Very high	95.2	Very high	75 Å²	75	65 Å²	65	35%	0.347	35%	0.353	S	S	.	.	S	Bend	trans	-67.1	-37.7	176.5	-75.7	-169.1	0	0	0	112.3	L244 F259 S260 A263 D266	L244-H246 PolarHBondContact O-N 3.31Å; H246-F259 WeakPolarHBondContact O-CA 3.32Å; H246-S260 WeakPolarHBondContact CA-OG 3.39Å; H246-S260 PolarHBondContact O-N 2.95Å; H246-S260 PolarHBondContact O-OG 2.84Å; H246-A263 HydrophobicContact CB-CB 3.68Å; H246-A263 WeakPolarHBondContact O-CB 3.47Å; H246-D266 IonicContact CE1-OD2 3.86Å; H246-D266 PolarHBondContact CE1-OD2 3.38Å; H246-D266 IonicContact NE2-OD2 3.64Å
247	F	98.2	Very high	95.5	Very high	53 Å²	53	59.7 Å²	59.7	23%	0.232	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.5	-175.6	-60.6	-86.5	0	0	0	110.4	L201 P203 D245 F257 F258 F259 A263	L201-F247 HydrophobicContact CB-CE1 4Å; L201-F247 HydrophobicContact CB-CZ 4.31Å; P203-F247 HydrophobicContact CB-CD2 3.85Å; P203-F247 HydrophobicContact CB-CE2 4.08Å; P203-F247 HydrophobicContact CB-CG 4.11Å; D245-F247 VanDerWaalsContact C-N 3.33Å; F247-F257 HydrophobicContact CB-CB 4.24Å; F247-F257 HydrophobicContact CB-CD1 4.13Å; F247-F257 HydrophobicContact CB-CG 4.33Å; F247-F257 HydrophobicContact CD1-CB 4.05Å; F247-F258 VanDerWaalsContact CA-O 3.28Å; F247-F258 WeakPolarHBondContact CA-O 3.47Å; F247-F259 HydrophobicContact CD1-CB 3.84Å; F247-F259 HydrophobicContact CE1-CB 3.7Å; F247-A263 HydrophobicContact CE2-CB 4.3Å; F247-A263 HydrophobicContact CZ-CB 4.23Å
248	S	97.3	Very high	95.6	Very high	46 Å²	46	57.8 Å²	57.8	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.1	170.8	64.3	0	0	0	0	109.9	N250 F257 F258	S248-N250 PolarHBondContact O-N 3.06Å; S248-F257 CarbonylContact O-C 3.14Å; S248-F257 WeakPolarHBondContact O-CA 3.36Å; S248-F257 WeakPolarHBondContact O-CB 3.2Å; S248-F258 PolarHBondContact N-O 3.36Å; S248-F258 PolarHBondContact O-N 3.12Å
249	H	97.1	Very high	95.7	Very high	116 Å²	116	57.2 Å²	57.2	54%	0.537	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.3	-177.8	177.2	57.8	0	0	0	111.5	C251	H249-C251 PolarHBondContact O-N 3.24Å
250	N	97.9	Very high	95.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.			trans	-77.2	90	177.5	-171.5	-25.5	0	0	0	110.6	D233 S248 V252 R253 G254 C255 S256 F258	D233-N250 PolarHBondContact OD2-ND2 2.9Å; S248-N250 PolarHBondContact O-N 3.06Å; N250-V252 PolarHBondContact O-N 3.1Å; N250-V252 WeakPolarHBondContact OD1-CA 3.37Å; N250-V252 WeakPolarHBondContact OD1-CB 3.39Å; N250-V252 PolarHBondContact OD1-N 2.92Å; N250-R253 HydrophobicContact CB-CB 4.48Å; N250-R253 WeakPolarHBondContact ND2-CG 3.38Å; N250-R253 PolarHBondContact O-N 2.93Å; N250-R253 PolarHBondContact OD1-N 3.38Å; N250-G254 PolarHBondContact O-N 3.47Å; N250-C255 WeakPolarHBondContact CB-O 3.38Å; N250-S256 PolarHBondContact N-O 3.32Å; N250-S256 VanDerWaalsContact N-O 3.15Å; N250-F258 HydrophobicContact CB-CD1 4.48Å; N250-F258 HydrophobicContact CB-CD2 4.23Å; N250-F258 HydrophobicContact CB-CE2 4.31Å; N250-F258 HydrophobicContact CB-CG 4.31Å; N250-F258 HydrophobicContact CB-CZ 4.46Å; N250-F258 WeakPolarHBondContact OD1-CZ 3.35Å
251	C	95.5	Very high	96	Very high	78 Å²	78	53 Å²	53	53%	0.527	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.2	179.1	65.5	0	0	0	0	113	H249 R472	H249-C251 PolarHBondContact O-N 3.24Å; C251-R472 PolarHBondContact O-NH1 3.45Å
252	V	94.1	Very high	96.2	Very high	44 Å²	44	54.2 Å²	54.2	27%	0.267	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-46.5	176.8	170.6	0	0	0	0	110.2	N250 F258 R472	N250-V252 PolarHBondContact O-N 3.1Å; N250-V252 WeakPolarHBondContact OD1-CA 3.37Å; N250-V252 WeakPolarHBondContact OD1-CB 3.39Å; N250-V252 PolarHBondContact OD1-N 2.92Å; V252-F258 HydrophobicContact CB-CZ 3.97Å; V252-F258 HydrophobicContact CG2-CZ 3.75Å; V252-R472 WeakPolarHBondContact O-CG 3.34Å; V252-R472 PolarHBondContact O-NH1 3.42Å
253	R	96.9	Very high	96.4	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.019	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.9	178.8	-55.8	-58.2	179.8	170.3	7.3	113.2	W231 D233 N250 C255 H280 E471 R472 M473	W231-R253 HydrophobicContact CE3-CB 4.02Å; W231-R253 HydrophobicContact CE3-CG 4.17Å; W231-R253 HydrophobicContact CZ3-CB 4.43Å; D233-R253 IonicContact OD1-NE 3.33Å; D233-R253 IonicContact OD1-NH2 3.59Å; D233-R253 PolarHBondContact OD1-NH2 2.83Å; D233-R253 VanDerWaalsContact OD2-CG 3.31Å; D233-R253 WeakPolarHBondContact OD2-CG 3.26Å; D233-R253 IonicContact OD2-CZ 3.04Å; D233-R253 IonicContact OD2-NE 2.77Å; D233-R253 PolarHBondContact OD2-NE 2.7Å; D233-R253 IonicContact OD2-NH2 2.97Å; N250-R253 HydrophobicContact CB-CB 4.48Å; N250-R253 WeakPolarHBondContact ND2-CG 3.38Å; N250-R253 PolarHBondContact O-N 2.93Å; N250-R253 PolarHBondContact OD1-N 3.38Å; R253-C255 VanDerWaalsContact C-N 3.26Å; R253-H280 VanDerWaalsContact CZ-CE1 3.43Å; R253-H280 PolarHBondContact NE-NE2 3.22Å; R253-H280 VanDerWaalsContact NE-NE2 3.19Å; R253-H280 PolarHBondContact NH2-CD2 3.38Å; R253-H280 PolarHBondContact NH2-NE2 3.48Å; R253-H280 PolarHBondContact NH2-O 3.1Å; R253-E471 WeakPolarHBondContact CD-O 3.43Å; R253-E471 IonicContact CZ-OE2 3.69Å; R253-E471 PolarHBondContact NH1-O 3.37Å; R253-E471 IonicContact NH1-OE2 3.89Å; R253-E471 PolarHBondContact NH1-OE2 3.25Å; R253-E471 IonicContact NH2-OE2 3.31Å; R253-R472 CarbonylContact O-C 3.45Å; R253-R472 WeakPolarHBondContact O-CA 3.45Å; R253-M473 PolarHBondContact O-N 3.12Å
254	G	95.3	Very high	96.8	Very high	29 Å²	29	41.9 Å²	41.9	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	78.6	6.6	-175.1	0	0	0	0	0	114.4	N250	N250-G254 PolarHBondContact O-N 3.47Å
255	C	97	Very high	97.3	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.054	20%	0.198	C	C	.	.	S	Bend	trans	-149.3	173.9	171.4	62.1	0	0	0	0	108.6	N250 R253 M473	N250-C255 WeakPolarHBondContact CB-O 3.38Å; R253-C255 VanDerWaalsContact C-N 3.26Å; C255-M473 HydrophobicContact CB-CE 3.52Å; C255-M473 HydrophobicContact CB-SD 4.05Å
256	S	98.1	Very high	97.4	Very high	8 Å²	8	34.5 Å²	34.5	6%	0.056	19%	0.191	C	C	.	.	S	Bend	trans	58.9	-161.8	179.9	-171	0	0	0	0	112.9	D228 S232 N250	D228-S256 WeakPolarHBondContact CA-OG 3.39Å; D228-S256 PolarHBondContact OD1-OG 2.91Å; S232-S256 VanDerWaalsContact CA-OG 3.29Å; S232-S256 WeakPolarHBondContact CA-OG 3.14Å; S232-S256 WeakPolarHBondContact CB-OG 3.36Å; S232-S256 PolarHBondContact N-OG 3.24Å; N250-S256 PolarHBondContact N-O 3.32Å; N250-S256 VanDerWaalsContact N-O 3.15Å
257	F	98.4	Very high	97.4	Very high	67 Å²	67	31.6 Å²	31.6	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.8	-171.3	-58.5	-86.8	0	0	0	112	P203 S232 D233 F247 S248	P203-F257 VanDerWaalsContact CD-CD2 3.49Å; P203-F257 HydrophobicContact CG-CD2 3.78Å; P203-F257 HydrophobicContact CG-CE1 4.39Å; P203-F257 HydrophobicContact CG-CE2 3.49Å; P203-F257 VanDerWaalsContact CG-CE2 3.49Å; P203-F257 HydrophobicContact CG-CG 4.35Å; P203-F257 HydrophobicContact CG-CZ 3.82Å; S232-F257 VanDerWaalsContact CA-O 3.29Å; S232-F257 WeakPolarHBondContact CA-O 3.3Å; S232-F257 VanDerWaalsContact CB-O 3.25Å; S232-F257 WeakPolarHBondContact CB-O 3.35Å; D233-F257 PolarHBondContact N-O 3.25Å; F247-F257 HydrophobicContact CB-CB 4.24Å; F247-F257 HydrophobicContact CB-CD1 4.13Å; F247-F257 HydrophobicContact CB-CG 4.33Å; F247-F257 HydrophobicContact CD1-CB 4.05Å; S248-F257 CarbonylContact O-C 3.14Å; S248-F257 WeakPolarHBondContact O-CA 3.36Å; S248-F257 WeakPolarHBondContact O-CB 3.2Å
258	F	98.5	Very high	97.4	Very high	26 Å²	26	29.1 Å²	29.1	11%	0.114	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.8	152.7	-69.9	-61.1	0	0	0	108.9	D233 P234 L235 F247 S248 N250 V252	D233-F258 HydrophobicContact CB-CD1 3.82Å; D233-F258 HydrophobicContact CB-CE1 3.84Å; D233-F258 CarbonylContact O-C 3.59Å; D233-F258 WeakPolarHBondContact O-CA 3.26Å; P234-F258 WeakPolarHBondContact O-CD1 3.17Å; L235-F258 HydrophobicContact CD2-CB 3.5Å; L235-F258 VanDerWaalsContact CD2-CB 3.5Å; L235-F258 HydrophobicContact CD2-CD2 4.29Å; L235-F258 HydrophobicContact CD2-CG 4Å; L235-F258 HydrophobicContact CG-CB 3.92Å; F247-F258 VanDerWaalsContact CA-O 3.28Å; F247-F258 WeakPolarHBondContact CA-O 3.47Å; S248-F258 PolarHBondContact N-O 3.36Å; S248-F258 PolarHBondContact O-N 3.12Å; N250-F258 HydrophobicContact CB-CD1 4.48Å; N250-F258 HydrophobicContact CB-CD2 4.23Å; N250-F258 HydrophobicContact CB-CE2 4.31Å; N250-F258 HydrophobicContact CB-CG 4.31Å; N250-F258 HydrophobicContact CB-CZ 4.46Å; N250-F258 WeakPolarHBondContact OD1-CZ 3.35Å; V252-F258 HydrophobicContact CB-CZ 3.97Å; V252-F258 HydrophobicContact CG2-CZ 3.75Å
259	F	98.7	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.2	172.9	59.6	-90.3	0	0	0	111.5	L201 D233 P234 L235 F238 H246 F247 A263 L301	L201-F259 HydrophobicContact CB-CB 4.31Å; L201-F259 HydrophobicContact CB-CD1 4.25Å; L201-F259 HydrophobicContact CB-CG 4.11Å; L201-F259 HydrophobicContact CD1-CD2 4.16Å; L201-F259 HydrophobicContact CD1-CG 4.49Å; L201-F259 HydrophobicContact CG-CD2 4.42Å; D233-F259 WeakPolarHBondContact O-CD1 3.13Å; D233-F259 WeakPolarHBondContact O-CE1 3.46Å; D233-F259 PolarHBondContact O-N 3.45Å; P234-F259 WeakPolarHBondContact CA-O 3.4Å; P234-F259 HydrophobicContact CB-CE2 4.13Å; P234-F259 HydrophobicContact CB-CZ 4.15Å; L235-F259 PolarHBondContact N-O 3.12Å; L235-F259 VanDerWaalsContact N-O 3.07Å; F238-F259 HydrophobicContact CE2-CD2 4.05Å; F238-F259 HydrophobicContact CE2-CE2 4.05Å; H246-F259 WeakPolarHBondContact O-CA 3.32Å; F247-F259 HydrophobicContact CD1-CB 3.84Å; F247-F259 HydrophobicContact CE1-CB 3.7Å; F259-A263 HydrophobicContact CB-CB 4.44Å; F259-L301 HydrophobicContact CE2-CD1 4.37Å; F259-L301 HydrophobicContact CE2-CD2 3.86Å; F259-L301 HydrophobicContact CZ-CD1 4.37Å; F259-L301 HydrophobicContact CZ-CD2 4.04Å
260	S	98.4	Very high	97.5	Very high	2 Å²	2	33 Å²	33	1%	0.014	19%	0.186	C	C	.	.			trans	-87.7	168.9	-178.8	70.6	0	0	0	0	113.2	F238 D245 H246 D262 A263 C264	F238-S260 WeakPolarHBondContact CE2-O 3.34Å; D245-S260 PolarHBondContact O-OG 3.06Å; H246-S260 WeakPolarHBondContact CA-OG 3.39Å; H246-S260 PolarHBondContact O-N 2.95Å; H246-S260 PolarHBondContact O-OG 2.84Å; S260-D262 VanDerWaalsContact C-N 3.27Å; S260-D262 PolarHBondContact O-N 3.48Å; S260-A263 PolarHBondContact O-N 3.01Å; S260-A263 PolarHBondContact OG-N 2.93Å; S260-C264 PolarHBondContact O-N 3.15Å
261	Y	98.1	Very high	97.5	Very high	8 Å²	8	34.3 Å²	34.3	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-39.3	172.2	171.3	-97.5	0	0	0	112.4	F238 E241 C264 C265 R291 K292 N293	F238-Y261 HydrophobicContact CD1-CD2 4.42Å; F238-Y261 AromaticContact CE1-CD2 3.76Å; F238-Y261 HydrophobicContact CE1-CD2 3.76Å; F238-Y261 HydrophobicContact CE1-CG 4.39Å; F238-Y261 VanDerWaalsContact CE2-CA 3.46Å; F238-Y261 VanDerWaalsContact CE2-N 3.34Å; F238-Y261 HydrophobicContact CZ-CD2 4.17Å; E241-Y261 VanDerWaalsContact OE1-CB 3.31Å; E241-Y261 WeakPolarHBondContact OE1-CB 3.48Å; E241-Y261 PolarHBondContact OE1-N 2.87Å; Y261-C264 WeakPolarHBondContact O-CB 3.32Å; Y261-C264 PolarHBondContact O-N 3.47Å; Y261-C265 VanDerWaalsContact CE2-SG 3.56Å; Y261-C265 PolarHBondContact O-N 3.19Å; Y261-C265 PolarHBondContact O-SG 3.29Å; Y261-R291 HydrophobicContact CD2-CB 3.88Å; Y261-R291 HydrophobicContact CD2-CG 4.09Å; Y261-R291 HydrophobicContact CE2-CB 3.82Å; Y261-R291 HydrophobicContact CE2-CG 3.66Å; Y261-K292 PolarHBondContact OH-O 3.35Å; Y261-N293 WeakPolarHBondContact OH-CA 3.42Å
262	D	96.8	Very high	97.6	Very high	63 Å²	63	35.7 Å²	35.7	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-66.6	-44.8	178.2	-69.1	-15.1	0	0	0	110.6	S260 C264 C265 D266	S260-D262 VanDerWaalsContact C-N 3.27Å; S260-D262 PolarHBondContact O-N 3.48Å; D262-C264 VanDerWaalsContact C-N 3.27Å; D262-C264 PolarHBondContact O-N 3.44Å; D262-C265 PolarHBondContact O-N 2.92Å; D262-C265 VanDerWaalsContact O-N 3.17Å; D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.44Å
263	A	97.9	Very high	97.8	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-40.8	173.9	0	0	0	0	0	112.5	H246 F247 F259 S260 F267	H246-A263 HydrophobicContact CB-CB 3.68Å; H246-A263 WeakPolarHBondContact O-CB 3.47Å; F247-A263 HydrophobicContact CE2-CB 4.3Å; F247-A263 HydrophobicContact CZ-CB 4.23Å; F259-A263 HydrophobicContact CB-CB 4.44Å; S260-A263 PolarHBondContact O-N 3.01Å; S260-A263 PolarHBondContact OG-N 2.93Å; A263-F267 WeakPolarHBondContact O-CB 3.42Å; A263-F267 PolarHBondContact O-N 3.02Å; A263-F267 VanDerWaalsContact O-N 3.11Å
264	C	98.2	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-47.5	175.9	-178.9	0	0	0	0	111.8	L201 F238 S260 Y261 D262 D266 F267 L268 S300	L201-C264 HydrophobicContact CD1-CB 4.35Å; F238-C264 HydrophobicContact CE2-CB 4Å; F238-C264 HydrophobicContact CZ-CB 3.76Å; S260-C264 PolarHBondContact O-N 3.15Å; Y261-C264 WeakPolarHBondContact O-CB 3.32Å; Y261-C264 PolarHBondContact O-N 3.47Å; D262-C264 VanDerWaalsContact C-N 3.27Å; D262-C264 PolarHBondContact O-N 3.44Å; C264-D266 PolarHBondContact O-N 2.83Å; C264-F267 PolarHBondContact O-N 3.28Å; C264-L268 WeakPolarHBondContact O-CB 3.44Å; C264-L268 WeakPolarHBondContact O-CG 3.4Å; C264-L268 PolarHBondContact O-N 2.97Å; C264-S300 PolarHBondContact SG-O 2.71Å
265	C	97.5	Very high	98	Very high	16 Å²	16	34.4 Å²	34.4	11%	0.108	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-41.6	179.7	-69.2	0	0	0	0	112.3	Y261 D262 L268 Q269	Y261-C265 VanDerWaalsContact CE2-SG 3.56Å; Y261-C265 PolarHBondContact O-N 3.19Å; Y261-C265 PolarHBondContact O-SG 3.29Å; D262-C265 PolarHBondContact O-N 2.92Å; D262-C265 VanDerWaalsContact O-N 3.17Å; C265-L268 PolarHBondContact O-N 3.01Å; C265-Q269 WeakPolarHBondContact O-CB 3.34Å; C265-Q269 PolarHBondContact O-N 3.48Å
266	D	97.1	Very high	98.1	Very high	75 Å²	75	34 Å²	34	40%	0.401	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-49	176.4	-81.7	7.2	0	0	0	111	H246 D262 C264 L268 Q269 T270	H246-D266 IonicContact CE1-OD2 3.86Å; H246-D266 PolarHBondContact CE1-OD2 3.38Å; H246-D266 IonicContact NE2-OD2 3.64Å; D262-D266 WeakPolarHBondContact O-CB 3.41Å; D262-D266 PolarHBondContact O-N 3.44Å; C264-D266 PolarHBondContact O-N 2.83Å; D266-L268 VanDerWaalsContact C-N 3.35Å; D266-L268 PolarHBondContact O-N 2.81Å; D266-Q269 PolarHBondContact O-N 2.79Å; D266-T270 WeakPolarHBondContact O-CB 3.38Å; D266-T270 PolarHBondContact O-N 3.24Å; D266-T270 PolarHBondContact O-OG1 2.88Å; D266-T270 VanDerWaalsContact O-OG1 3.09Å
267	F	98.4	Very high	98.1	Very high	14 Å²	14	33.7 Å²	33.7	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-44.8	177.1	-178.2	-89.1	0	0	0	112.2	L195 L201 I205 L208 A263 C264 Q269 T270 N271 L273 I276	L195-F267 HydrophobicContact CD2-CD1 4.43Å; L195-F267 HydrophobicContact CD2-CE1 3.43Å; L195-F267 VanDerWaalsContact CD2-CE1 3.43Å; L195-F267 HydrophobicContact CD2-CZ 3.69Å; L201-F267 HydrophobicContact CD1-CB 4.05Å; L201-F267 HydrophobicContact CD1-CG 4.41Å; L201-F267 HydrophobicContact CD2-CB 4.31Å; L201-F267 HydrophobicContact CD2-CD1 3.87Å; L201-F267 HydrophobicContact CD2-CD2 4Å; L201-F267 HydrophobicContact CD2-CE1 4.22Å; L201-F267 HydrophobicContact CD2-CE2 4.33Å; L201-F267 HydrophobicContact CD2-CG 3.77Å; L201-F267 HydrophobicContact CD2-CZ 4.43Å; I205-F267 HydrophobicContact CG2-CE2 4.03Å; L208-F267 HydrophobicContact CD2-CZ 4.47Å; A263-F267 WeakPolarHBondContact O-CB 3.42Å; A263-F267 PolarHBondContact O-N 3.02Å; A263-F267 VanDerWaalsContact O-N 3.11Å; C264-F267 PolarHBondContact O-N 3.28Å; F267-Q269 PolarHBondContact O-N 2.95Å; F267-T270 PolarHBondContact O-N 2.83Å; F267-N271 HydrophobicContact CE1-CB 4.48Å; F267-N271 WeakPolarHBondContact CE2-ND2 3.48Å; F267-N271 WeakPolarHBondContact O-CB 3.34Å; F267-N271 PolarHBondContact O-N 3.2Å; F267-N271 PolarHBondContact O-ND2 2.93Å; F267-L273 HydrophobicContact CE1-CD1 3.96Å; F267-I276 HydrophobicContact CD1-CD1 4.22Å
268	L	98.5	Very high	98.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-44.3	177.7	-71.8	174.6	0	0	0	111.5	C264 C265 D266 N271 S272 L273 I276	C264-L268 WeakPolarHBondContact O-CB 3.44Å; C264-L268 WeakPolarHBondContact O-CG 3.4Å; C264-L268 PolarHBondContact O-N 2.97Å; C265-L268 PolarHBondContact O-N 3.01Å; D266-L268 VanDerWaalsContact C-N 3.35Å; D266-L268 PolarHBondContact O-N 2.81Å; L268-N271 PolarHBondContact O-N 3.42Å; L268-S272 WeakPolarHBondContact O-CA 3.38Å; L268-S272 PolarHBondContact O-N 3.18Å; L268-L273 HydrophobicContact CD2-CB 3.62Å; L268-L273 PolarHBondContact O-N 3.19Å; L268-I276 HydrophobicContact CD2-CG1 3.96Å
269	Q	97.5	Very high	98.1	Very high	153 Å²	153	29.2 Å²	29.2	72%	0.715	16%	0.164	S	C	*	.	H	α-helix	trans	-65.7	-47.8	178.5	-177.7	175.7	-9.9	0	0	111.6	C265 D266 F267 N271 S272	C265-Q269 WeakPolarHBondContact O-CB 3.34Å; C265-Q269 PolarHBondContact O-N 3.48Å; D266-Q269 PolarHBondContact O-N 2.79Å; F267-Q269 PolarHBondContact O-N 2.95Å; Q269-N271 PolarHBondContact O-N 3.21Å; Q269-S272 PolarHBondContact O-N 3.1Å
270	T	97.8	Very high	98.1	Very high	92 Å²	92	29.4 Å²	29.4	56%	0.564	16%	0.164	S	C	*	.	H	α-helix	trans	-58.3	-37.5	179	-64.4	0	0	0	0	112.1	T207 D266 F267	T207-T270 HydrophobicContact CG2-CG2 4.34Å; D266-T270 WeakPolarHBondContact O-CB 3.38Å; D266-T270 PolarHBondContact O-N 3.24Å; D266-T270 PolarHBondContact O-OG1 2.88Å; D266-T270 VanDerWaalsContact O-OG1 3.09Å; F267-T270 PolarHBondContact O-N 2.83Å
271	N	98.2	Very high	98.1	Very high	27 Å²	27	30.5 Å²	30.5	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.8	-177.2	-67.3	-85	0	0	0	114	H206 T207 L208 F267 L268 Q269 L273	H206-N271 PolarHBondContact O-ND2 3.11Å; T207-N271 WeakPolarHBondContact CA-OD1 3.19Å; L208-N271 PolarHBondContact N-OD1 3.06Å; F267-N271 HydrophobicContact CE1-CB 4.48Å; F267-N271 WeakPolarHBondContact CE2-ND2 3.48Å; F267-N271 WeakPolarHBondContact O-CB 3.34Å; F267-N271 PolarHBondContact O-N 3.2Å; F267-N271 PolarHBondContact O-ND2 2.93Å; L268-N271 PolarHBondContact O-N 3.42Å; Q269-N271 PolarHBondContact O-N 3.21Å; N271-L273 VanDerWaalsContact C-N 3.27Å; N271-L273 HydrophobicContact CB-CD1 3.88Å; N271-L273 HydrophobicContact CB-CG 3.88Å; N271-L273 PolarHBondContact O-N 2.72Å
272	S	97.7	Very high	98.1	Very high	106 Å²	106	30.6 Å²	30.6	74%	0.741	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.9	-176.9	-57.5	0	0	0	0	113.7	L268 Q269	L268-S272 WeakPolarHBondContact O-CA 3.38Å; L268-S272 PolarHBondContact O-N 3.18Å; Q269-S272 PolarHBondContact O-N 3.1Å
273	L	98.4	Very high	98.2	Very high	15 Å²	15	28.5 Å²	28.5	8%	0.079	16%	0.16	C	C	.	.			trans	-103	157.5	-179.8	-61.8	176.6	0	0	0	111.7	L189 L195 L208 F267 L268 N271	L189-L273 HydrophobicContact CD1-CD2 3.49Å; L189-L273 VanDerWaalsContact CD1-CD2 3.49Å; L195-L273 HydrophobicContact CB-CD1 3.77Å; L208-L273 HydrophobicContact CD2-CD1 4.46Å; F267-L273 HydrophobicContact CE1-CD1 3.96Å; L268-L273 HydrophobicContact CD2-CB 3.62Å; L268-L273 PolarHBondContact O-N 3.19Å; N271-L273 VanDerWaalsContact C-N 3.27Å; N271-L273 HydrophobicContact CB-CD1 3.88Å; N271-L273 HydrophobicContact CB-CG 3.88Å; N271-L273 PolarHBondContact O-N 2.72Å
274	L	97.9	Very high	98.2	Very high	37 Å²	37	32.4 Å²	32.4	19%	0.194	18%	0.18	C	C	.	.	S	Bend	trans	-89.3	-42	-179.4	-177.2	59.8	0	0	0	113	Q193 F194 T296 F298	Q193-L274 HydrophobicContact CB-CB 4.34Å; Q193-L274 PolarHBondContact O-N 2.87Å; F194-L274 HydrophobicContact CE1-CB 4.28Å; F194-L274 HydrophobicContact CE1-CD2 3.93Å; F194-L274 HydrophobicContact CE1-CG 4.24Å; F194-L274 HydrophobicContact CZ-CD2 3.84Å; L274-T296 HydrophobicContact CD1-CG2 3.84Å; L274-F298 HydrophobicContact CD1-CB 3.68Å; L274-F298 HydrophobicContact CD1-CD1 4.2Å; L274-F298 HydrophobicContact CD1-CG 3.97Å; L274-F298 HydrophobicContact CD2-CD1 4.05Å; L274-F298 HydrophobicContact CD2-CD2 4.29Å; L274-F298 HydrophobicContact CD2-CE1 4.34Å; L274-F298 HydrophobicContact CD2-CG 4.05Å; L274-F298 HydrophobicContact CG-CB 4.16Å; L274-F298 HydrophobicContact CG-CD1 3.71Å; L274-F298 HydrophobicContact CG-CE1 4.32Å; L274-F298 HydrophobicContact CG-CG 3.9Å
275	S	98.6	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	159.7	-177.8	178.8	0	0	0	0	111.2	F194 L195 P299 S300	F194-S275 WeakPolarHBondContact CA-O 3.33Å; L195-S275 PolarHBondContact N-O 3.07Å; S275-P299 WeakPolarHBondContact CB-O 3.34Å; S275-P299 PolarHBondContact OG-O 2.81Å; S275-S300 WeakPolarHBondContact CA-O 3.35Å; S275-S300 PolarHBondContact OG-O 3.14Å
276	I	98.8	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.8	164.8	-58.3	175.2	0	0	0	108.4	L195 V197 L201 F267 L268 S300 L301 I302	L195-I276 HydrophobicContact CB-CG1 4.48Å; L195-I276 CarbonylContact O-C 3.59Å; L195-I276 WeakPolarHBondContact O-CA 3.35Å; V197-I276 HydrophobicContact CG2-CG2 4.19Å; L201-I276 HydrophobicContact CD1-CD1 3.8Å; L201-I276 HydrophobicContact CD2-CD1 3.58Å; L201-I276 HydrophobicContact CG-CD1 3.75Å; F267-I276 HydrophobicContact CD1-CD1 4.22Å; L268-I276 HydrophobicContact CD2-CG1 3.96Å; I276-S300 PolarHBondContact N-O 3.13Å; I276-L301 HydrophobicContact CB-CD1 3.7Å; I276-L301 HydrophobicContact CG2-CD1 3.73Å; I276-L301 CarbonylContact O-C 3.46Å; I276-L301 WeakPolarHBondContact O-CA 3.33Å; I276-I302 PolarHBondContact O-N 2.88Å
277	I	98.9	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.2	173.1	-55.6	175.1	0	0	0	107.4	V86 L115 M190 F194 L195 C196 V197 I302 I304 L321 M328	V86-I277 HydrophobicContact CG1-CG2 4.18Å; L115-I277 HydrophobicContact CD1-CG2 4.23Å; M190-I277 HydrophobicContact CE-CD1 3.83Å; F194-I277 HydrophobicContact CB-CD1 3.9Å; F194-I277 HydrophobicContact CB-CG1 4.29Å; F194-I277 HydrophobicContact CD1-CD1 3.89Å; F194-I277 HydrophobicContact CD1-CG1 4.22Å; F194-I277 HydrophobicContact CG-CD1 3.9Å; L195-I277 PolarHBondContact O-N 3.35Å; C196-I277 VanDerWaalsContact CA-O 3.26Å; C196-I277 WeakPolarHBondContact CA-O 3.47Å; V197-I277 PolarHBondContact N-O 3.3Å; V197-I277 VanDerWaalsContact N-O 3.11Å; I277-I302 HydrophobicContact CG1-CB 4.5Å; I277-I302 HydrophobicContact CG1-CD1 4.45Å; I277-I304 HydrophobicContact CG2-CG2 4.43Å; I277-L321 HydrophobicContact CD1-CD1 3.98Å; I277-L321 HydrophobicContact CG2-CD1 4.27Å; I277-M328 HydrophobicContact CD1-CE 4.16Å
278	R	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	174.4	-175.8	65.6	76.6	60.6	152	24.2	113.3	V197 H198 G199 S232 D233 H280 E281 L301 I302 T303 I304	V197-R278 HydrophobicContact CG2-CB 4.22Å; V197-R278 WeakPolarHBondContact O-CA 3.29Å; V197-R278 WeakPolarHBondContact O-CB 3.29Å; H198-R278 PolarHBondContact O-NE 3.05Å; G199-R278 WeakPolarHBondContact O-CB 3.48Å; G199-R278 WeakPolarHBondContact O-CG 3.44Å; G199-R278 PolarHBondContact O-NE 3.46Å; G199-R278 PolarHBondContact O-NH2 2.93Å; G199-R278 VanDerWaalsContact O-NH2 3.13Å; S232-R278 PolarHBondContact O-NH2 2.99Å; S232-R278 VanDerWaalsContact O-NH2 3.09Å; D233-R278 IonicContact OD1-CZ 2.69Å; D233-R278 IonicContact OD1-NH1 3.84Å; D233-R278 IonicContact OD1-NH2 2.75Å; D233-R278 PolarHBondContact OD1-NH2 3.4Å; R278-H280 PolarHBondContact NH2-CD2 3.2Å; R278-E281 IonicContact CZ-OE2 3.36Å; R278-E281 IonicContact NH1-OE2 2.98Å; R278-E281 PolarHBondContact NH1-OE2 2.99Å; R278-E281 IonicContact NH2-OE2 3.31Å; R278-L301 HydrophobicContact CG-CD1 3.7Å; R278-L301 HydrophobicContact CG-CG 4.47Å; R278-I302 PolarHBondContact N-O 2.76Å; R278-T303 VanDerWaalsContact CD-OG1 3.24Å; R278-T303 WeakPolarHBondContact CD-OG1 3.37Å; R278-T303 CarbonylContact O-C 3.53Å; R278-T303 VanDerWaalsContact O-CA 3.28Å; R278-T303 WeakPolarHBondContact O-CA 3.45Å; R278-I304 PolarHBondContact O-N 3.46Å
279	A	98.8	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.			trans	-124.5	-119	-176.1	0	0	0	0	0	112.5	D89 L115 H198 E281 T303 I304	D89-A279 WeakPolarHBondContact OD1-CB 3.44Å; L115-A279 HydrophobicContact CB-CB 3.85Å; L115-A279 HydrophobicContact CD1-CB 4.02Å; H198-A279 PolarHBondContact O-N 3.16Å; A279-E281 PolarHBondContact O-N 2.92Å; A279-T303 WeakPolarHBondContact O-CG2 3.32Å; A279-I304 VanDerWaalsContact CA-O 3.28Å; A279-I304 WeakPolarHBondContact CA-O 3.29Å; A279-I304 WeakPolarHBondContact CB-O 3.34Å
280	H	98.7	Very high	98.3	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.014	18%	0.182	C	C	.	.			trans	62.5	-20.7	161.2	-173.5	52.5	0	0	0	119.4	D89 N149 H198 D233 R253 R278	D89-H280 PolarHBondContact OD1-N 3.36Å; D89-H280 VanDerWaalsContact OD2-CA 3.3Å; D89-H280 WeakPolarHBondContact OD2-CA 3.47Å; D89-H280 PolarHBondContact OD2-N 3.42Å; N149-H280 PolarHBondContact OD1-CE1 3.1Å; N149-H280 PolarHBondContact OD1-ND1 3.22Å; H198-H280 AromaticContact CD2-ND1 3.94Å; H198-H280 AromaticContact NE2-CG 3.88Å; H198-H280 AromaticContact NE2-ND1 3.52Å; H198-H280 WeakPolarHBondContact O-CB 3.48Å; D233-H280 IonicContact OD1-CD2 3.72Å; D233-H280 PolarHBondContact OD1-CD2 3.1Å; D233-H280 IonicContact OD1-NE2 2.6Å; R253-H280 VanDerWaalsContact CZ-CE1 3.43Å; R253-H280 PolarHBondContact NE-NE2 3.22Å; R253-H280 VanDerWaalsContact NE-NE2 3.19Å; R253-H280 PolarHBondContact NH2-CD2 3.38Å; R253-H280 PolarHBondContact NH2-NE2 3.48Å; R253-H280 PolarHBondContact NH2-O 3.1Å; R278-H280 PolarHBondContact NH2-CD2 3.2Å
281	E	98.4	Very high	98.3	Very high	26 Å²	26	34.7 Å²	34.7	12%	0.121	18%	0.175	C	C	.	.	S	Bend	trans	-122.4	120.9	176.5	-73.4	178.7	95.8	0	0	110.4	D233 P234 R278 A279 Q283	D233-E281 VanDerWaalsContact OD1-CG 3.29Å; D233-E281 WeakPolarHBondContact OD1-CG 3.21Å; P234-E281 WeakPolarHBondContact CD-OE2 3.26Å; R278-E281 IonicContact CZ-OE2 3.36Å; R278-E281 IonicContact NH1-OE2 2.98Å; R278-E281 PolarHBondContact NH1-OE2 2.99Å; R278-E281 IonicContact NH2-OE2 3.31Å; A279-E281 PolarHBondContact O-N 2.92Å; E281-Q283 WeakPolarHBondContact O-CG 3.42Å; E281-Q283 PolarHBondContact O-N 3.49Å; E281-Q283 PolarHBondContact O-NE2 3.36Å
282	A	97.4	Very high	98.3	Very high	10 Å²	10	38.4 Å²	38.4	8%	0.083	19%	0.19	C	C	.	.			trans	-52.1	136.7	172.3	0	0	0	0	0	111.6	F305 Y310 Y314 F460	A282-F305 HydrophobicContact CB-CD1 4.37Å; A282-F305 HydrophobicContact CB-CE1 3.9Å; A282-F305 HydrophobicContact CB-CE2 4.07Å; A282-F305 HydrophobicContact CB-CZ 3.75Å; A282-Y310 HydrophobicContact CB-CD1 4.33Å; A282-Y314 HydrophobicContact CB-CE1 4.33Å; A282-F460 HydrophobicContact CB-CE2 4.24Å; A282-F460 HydrophobicContact CB-CZ 4.08Å; A282-F460 WeakPolarHBondContact O-CZ 3.23Å
283	Q	98.2	Very high	98.1	Very high	19 Å²	19	34.3 Å²	34.3	9%	0.089	16%	0.16	C	C	.	.			trans	-128.1	133.5	178	-55.1	-57.3	-48.2	0	0	109.6	E281 A285 G286 R288 T303 F305	E281-Q283 WeakPolarHBondContact O-CG 3.42Å; E281-Q283 PolarHBondContact O-N 3.49Å; E281-Q283 PolarHBondContact O-NE2 3.36Å; Q283-A285 VanDerWaalsContact C-N 3.26Å; Q283-A285 PolarHBondContact O-N 2.87Å; Q283-G286 WeakPolarHBondContact O-CA 3.38Å; Q283-G286 PolarHBondContact O-N 3.42Å; Q283-R288 HydrophobicContact CG-CB 4.27Å; Q283-T303 HydrophobicContact CG-CG2 3.78Å; Q283-F305 HydrophobicContact CG-CB 4.4Å
284	D	97.6	Very high	97.9	Very high	87 Å²	87	41 Å²	41	47%	0.465	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-39.9	179	-174.9	42.2	0	0	0	112.2	G286 K317 F460	D284-G286 VanDerWaalsContact C-N 3.3Å; D284-G286 PolarHBondContact O-N 2.89Å; D284-K317 PolarHBondContact O-N 3.33Å; D284-F460 HydrophobicContact CB-CB 4.19Å; D284-F460 HydrophobicContact CB-CD1 3.98Å; D284-F460 HydrophobicContact CB-CD2 3.85Å; D284-F460 HydrophobicContact CB-CE1 4.37Å; D284-F460 HydrophobicContact CB-CE2 4.24Å; D284-F460 HydrophobicContact CB-CG 3.72Å; D284-F460 HydrophobicContact CB-CZ 4.5Å
285	A	98.2	Very high	97.6	Very high	34 Å²	34	43.7 Å²	43.7	28%	0.281	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.1	175.3	0	0	0	0	0	113.9	Q283 Y287 Q332	Q283-A285 VanDerWaalsContact C-N 3.26Å; Q283-A285 PolarHBondContact O-N 2.87Å; A285-Y287 HydrophobicContact CB-CD1 4.13Å; A285-Y287 HydrophobicContact CB-CE1 4.1Å; A285-Y287 WeakPolarHBondContact O-CD1 3.33Å; A285-Y287 PolarHBondContact O-N 2.64Å; A285-Q332 PolarHBondContact O-NE2 2.9Å
286	G	98.5	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	73.8	-1.4	-171.1	0	0	0	0	0	114.5	Q283 D284 F305 K317 A319	Q283-G286 WeakPolarHBondContact O-CA 3.38Å; Q283-G286 PolarHBondContact O-N 3.42Å; D284-G286 VanDerWaalsContact C-N 3.3Å; D284-G286 PolarHBondContact O-N 2.89Å; G286-F305 PolarHBondContact O-N 2.91Å; G286-F305 VanDerWaalsContact O-O 3.04Å; G286-K317 WeakPolarHBondContact CA-O 3.45Å; G286-K317 PolarHBondContact N-O 2.92Å; G286-K317 VanDerWaalsContact N-O 3.14Å; G286-A319 WeakPolarHBondContact O-CB 3.4Å
287	Y	98.7	Very high	97.2	Very high	78 Å²	78	52 Å²	52	31%	0.306	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	161.3	173.3	76.5	-75.5	0	0	0	111.3	A285 M289 T303 A319 I330 Q332	A285-Y287 HydrophobicContact CB-CD1 4.13Å; A285-Y287 HydrophobicContact CB-CE1 4.1Å; A285-Y287 WeakPolarHBondContact O-CD1 3.33Å; A285-Y287 PolarHBondContact O-N 2.64Å; Y287-M289 HydrophobicContact CD2-CE 4.11Å; Y287-M289 HydrophobicContact CD2-CG 3.99Å; Y287-M289 HydrophobicContact CE2-CE 4.34Å; Y287-M289 HydrophobicContact CE2-CG 3.87Å; Y287-T303 CarbonylContact C-O 3.49Å; Y287-T303 WeakPolarHBondContact CA-O 3.23Å; Y287-T303 WeakPolarHBondContact CB-O 3.4Å; Y287-A319 HydrophobicContact CD1-CB 4.33Å; Y287-I330 HydrophobicContact CD1-CG2 3.56Å; Y287-I330 HydrophobicContact CD2-CG1 4.17Å; Y287-I330 HydrophobicContact CD2-CG2 4.27Å; Y287-I330 HydrophobicContact CE1-CG2 3.86Å; Y287-I330 HydrophobicContact CE2-CG1 4.31Å; Y287-I330 HydrophobicContact CG-CG1 4.46Å; Y287-I330 HydrophobicContact CG-CG2 3.77Å; Y287-Q332 HydrophobicContact CE1-CG 4.42Å
288	R	98.5	Very high	97.2	Very high	93 Å²	93	54.4 Å²	54.4	35%	0.351	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.6	169.3	-178.4	171.7	177.8	-170.8	1.7	110.1	Q283 Y290 I302 T303	Q283-R288 HydrophobicContact CG-CB 4.27Å; R288-Y290 HydrophobicContact CB-CE2 4.02Å; R288-Y290 HydrophobicContact CG-CD2 4.16Å; R288-Y290 HydrophobicContact CG-CE1 4.37Å; R288-Y290 HydrophobicContact CG-CE2 3.79Å; R288-I302 WeakPolarHBondContact O-CA 3.46Å; R288-T303 PolarHBondContact N-O 3.09Å; R288-T303 PolarHBondContact O-N 3.08Å
289	M	97.9	Very high	97.1	Very high	69 Å²	69	55.2 Å²	55.2	34%	0.34	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.5	170.7	-62.8	-72.5	175.8	0	0	107.8	Y287 P299 I302 M328 I330	Y287-M289 HydrophobicContact CD2-CE 4.11Å; Y287-M289 HydrophobicContact CD2-CG 3.99Å; Y287-M289 HydrophobicContact CE2-CE 4.34Å; Y287-M289 HydrophobicContact CE2-CG 3.87Å; M289-P299 HydrophobicContact CB-CB 4.49Å; M289-P299 HydrophobicContact CB-CG 4.3Å; M289-P299 HydrophobicContact SD-CB 4.26Å; M289-P299 HydrophobicContact SD-CG 3.99Å; M289-I302 HydrophobicContact CE-CD1 4.05Å; M289-I302 HydrophobicContact CE-CG1 4.46Å; M289-I302 HydrophobicContact CE-CG2 3.92Å; M289-I302 HydrophobicContact SD-CB 4.21Å; M289-I302 HydrophobicContact SD-CD1 3.59Å; M289-I302 VanDerWaalsContact SD-CD1 3.59Å; M289-I302 HydrophobicContact SD-CG1 3.55Å; M289-I302 VanDerWaalsContact SD-CG1 3.55Å; M289-I302 HydrophobicContact SD-CG2 3.76Å; M289-M328 HydrophobicContact CE-SD 4.26Å; M289-I330 HydrophobicContact CE-CD1 3.62Å; M289-I330 HydrophobicContact CE-CG1 3.61Å
290	Y	98.3	Very high	97.1	Very high	13 Å²	13	55.2 Å²	55.2	5%	0.051	28%	0.281	C	S	.	.			trans	-87.8	-177.5	-178.2	-67.7	-101.5	0	0	0	111.5	P234 F238 R288 K292 L301 T303	P234-Y290 HydrophobicContact CB-CE1 3.97Å; P234-Y290 HydrophobicContact CG-CE1 3.67Å; P234-Y290 WeakPolarHBondContact CG-OH 3.13Å; F238-Y290 HydrophobicContact CB-CD1 4.11Å; F238-Y290 HydrophobicContact CB-CE1 4.44Å; F238-Y290 AromaticContact CD1-CD1 3.6Å; F238-Y290 HydrophobicContact CD1-CD1 3.6Å; F238-Y290 HydrophobicContact CD1-CG 4.07Å; F238-Y290 HydrophobicContact CE1-CD1 4.19Å; F238-Y290 HydrophobicContact CE1-CG 4.23Å; F238-Y290 HydrophobicContact CG-CD1 4Å; R288-Y290 HydrophobicContact CB-CE2 4.02Å; R288-Y290 HydrophobicContact CG-CD2 4.16Å; R288-Y290 HydrophobicContact CG-CE1 4.37Å; R288-Y290 HydrophobicContact CG-CE2 3.79Å; Y290-K292 PolarHBondContact O-N 3.07Å; Y290-L301 WeakPolarHBondContact CB-O 3.3Å; Y290-L301 HydrophobicContact CD1-CD2 4.19Å; Y290-L301 HydrophobicContact CD2-CB 3.87Å; Y290-L301 HydrophobicContact CD2-CD2 3.77Å; Y290-L301 HydrophobicContact CD2-CG 3.73Å; Y290-L301 WeakPolarHBondContact CD2-O 3.33Å; Y290-L301 HydrophobicContact CE1-CD2 4.24Å; Y290-L301 HydrophobicContact CE2-CD2 3.82Å; Y290-L301 HydrophobicContact CE2-CG 4.02Å; Y290-L301 HydrophobicContact CG-CB 4.02Å; Y290-L301 HydrophobicContact CG-CD2 3.96Å; Y290-L301 HydrophobicContact CG-CG 4.21Å; Y290-L301 PolarHBondContact N-O 2.84Å; Y290-T303 VanDerWaalsContact CE2-OG1 3.27Å; Y290-T303 WeakPolarHBondContact CE2-OG1 3.37Å; Y290-T303 PolarHBondContact OH-OG1 3.21Å; Y290-T303 VanDerWaalsContact OH-OG1 3.12Å
291	R	97.7	Very high	97.1	Very high	111 Å²	111	55.1 Å²	55.1	42%	0.419	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-50.3	138.2	178.8	-176.4	173.7	-180	-170.8	-4.8	110.6	G239 Y261 S300	G239-R291 VanDerWaalsContact CA-CD 3.46Å; G239-R291 WeakPolarHBondContact O-CD 3.18Å; G239-R291 PolarHBondContact O-NH1 3.4Å; Y261-R291 HydrophobicContact CD2-CB 3.88Å; Y261-R291 HydrophobicContact CD2-CG 4.09Å; Y261-R291 HydrophobicContact CE2-CB 3.82Å; Y261-R291 HydrophobicContact CE2-CG 3.66Å; R291-S300 PolarHBondContact O-N 3.43Å; R291-S300 PolarHBondContact O-OG 3.33Å
292	K	97.7	Very high	97.1	Very high	106 Å²	106	53.9 Å²	53.9	46%	0.461	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-71.4	141.5	178.2	-64.1	-179.3	168.3	-161.3	0	111.1	Y261 Y290 Q294 N297 F298	Y261-K292 PolarHBondContact OH-O 3.35Å; Y290-K292 PolarHBondContact O-N 3.07Å; K292-Q294 PolarHBondContact O-N 3.06Å; K292-N297 WeakPolarHBondContact CD-O 3.13Å; K292-N297 WeakPolarHBondContact CD-OD1 3.45Å; K292-N297 PolarHBondContact NZ-O 3.5Å; K292-F298 CarbonylContact C-O 3.46Å; K292-F298 VanDerWaalsContact CA-O 3.23Å; K292-F298 WeakPolarHBondContact CA-O 3.21Å
293	N	94.6	Very high	97.2	Very high	20 Å²	20	53.4 Å²	53.4	11%	0.107	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-65.6	130.7	166	-174.9	-33.1	0	0	0	108.8	Y261 A295 N297 F298	Y261-N293 WeakPolarHBondContact OH-CA 3.42Å; N293-A295 VanDerWaalsContact C-N 3.28Å; N293-A295 PolarHBondContact O-N 3.3Å; N293-A295 WeakPolarHBondContact OD1-CB 3.43Å; N293-A295 PolarHBondContact OD1-N 2.95Å; N293-N297 VanDerWaalsContact O-CA 3.3Å; N293-N297 WeakPolarHBondContact O-CA 3.26Å; N293-N297 PolarHBondContact O-N 3.35Å; N293-F298 PolarHBondContact N-O 3.43Å
294	Q	92.8	Very high	97.2	Very high	156 Å²	156	52.5 Å²	52.5	73%	0.729	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.1	-178.2	-61.2	-175.4	14.4	0	0	112.6	K292	K292-Q294 PolarHBondContact O-N 3.06Å
295	A	92.8	Very high	97.3	Very high	93 Å²	93	48.4 Å²	48.4	77%	0.769	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-36.5	-177.6	0	0	0	0	0	112.8	N293	N293-A295 VanDerWaalsContact C-N 3.28Å; N293-A295 PolarHBondContact O-N 3.3Å; N293-A295 WeakPolarHBondContact OD1-CB 3.43Å; N293-A295 PolarHBondContact OD1-N 2.95Å
296	T	94.5	Very high	97.3	Very high	62 Å²	62	47 Å²	47	38%	0.38	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-15.2	-174.3	64.8	0	0	0	0	113.6	L274 F298	L274-T296 HydrophobicContact CD1-CG2 3.84Å; T296-F298 PolarHBondContact O-N 3.31Å; T296-F298 PolarHBondContact OG1-N 3.38Å
297	N	95.1	Very high	97.3	Very high	111 Å²	111	47 Å²	47	59%	0.594	23%	0.232	S	C	*	.			trans	54.6	26.9	-171.9	-164.8	23.8	0	0	0	113.8	K292 N293	K292-N297 WeakPolarHBondContact CD-O 3.13Å; K292-N297 WeakPolarHBondContact CD-OD1 3.45Å; K292-N297 PolarHBondContact NZ-O 3.5Å; N293-N297 VanDerWaalsContact O-CA 3.3Å; N293-N297 WeakPolarHBondContact O-CA 3.26Å; N293-N297 PolarHBondContact O-N 3.35Å
298	F	97.1	Very high	97.3	Very high	51 Å²	51	43.2 Å²	43.2	22%	0.224	22%	0.218	C	C	.	.	S	Bend	trans	-112.8	147.1	176.5	-164.3	-93.5	0	0	0	109.6	F194 L274 K292 N293 T296 S300 I302 M328	F194-F298 AromaticContact CE1-CE1 3.78Å; F194-F298 HydrophobicContact CE1-CE1 3.78Å; F194-F298 HydrophobicContact CE1-CZ 4.13Å; F194-F298 HydrophobicContact CZ-CZ 4.47Å; L274-F298 HydrophobicContact CD1-CB 3.68Å; L274-F298 HydrophobicContact CD1-CD1 4.2Å; L274-F298 HydrophobicContact CD1-CG 3.97Å; L274-F298 HydrophobicContact CD2-CD1 4.05Å; L274-F298 HydrophobicContact CD2-CD2 4.29Å; L274-F298 HydrophobicContact CD2-CE1 4.34Å; L274-F298 HydrophobicContact CD2-CG 4.05Å; L274-F298 HydrophobicContact CG-CB 4.16Å; L274-F298 HydrophobicContact CG-CD1 3.71Å; L274-F298 HydrophobicContact CG-CE1 4.32Å; L274-F298 HydrophobicContact CG-CG 3.9Å; K292-F298 CarbonylContact C-O 3.46Å; K292-F298 VanDerWaalsContact CA-O 3.23Å; K292-F298 WeakPolarHBondContact CA-O 3.21Å; N293-F298 PolarHBondContact N-O 3.43Å; T296-F298 PolarHBondContact O-N 3.31Å; T296-F298 PolarHBondContact OG1-N 3.38Å; F298-S300 PolarHBondContact O-N 2.86Å; F298-I302 HydrophobicContact CE1-CD1 4.18Å; F298-M328 HydrophobicContact CE1-CE 4.2Å; F298-M328 HydrophobicContact CZ-CE 3.68Å; F298-M328 HydrophobicContact CZ-SD 3.89Å
299	P	98.2	Very high	97.2	Very high	18 Å²	18	40 Å²	40	12%	0.117	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-48.1	128	173.8	-28.6	36.2	0	0	0	111	S275 M289 L301 I302	S275-P299 WeakPolarHBondContact CB-O 3.34Å; S275-P299 PolarHBondContact OG-O 2.81Å; M289-P299 HydrophobicContact CB-CB 4.49Å; M289-P299 HydrophobicContact CB-CG 4.3Å; M289-P299 HydrophobicContact SD-CB 4.26Å; M289-P299 HydrophobicContact SD-CG 3.99Å; P299-L301 VanDerWaalsContact C-N 3.3Å; P299-I302 HydrophobicContact CB-CG1 4.14Å
300	S	98.4	Very high	97.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-73	-29	179	59.2	0	0	0	0	112.1	C264 S275 I276 R291 F298	C264-S300 PolarHBondContact SG-O 2.71Å; S275-S300 WeakPolarHBondContact CA-O 3.35Å; S275-S300 PolarHBondContact OG-O 3.14Å; I276-S300 PolarHBondContact N-O 3.13Å; R291-S300 PolarHBondContact O-N 3.43Å; R291-S300 PolarHBondContact O-OG 3.33Å; F298-S300 PolarHBondContact O-N 2.86Å
301	L	98.8	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146	-179.6	-178.3	70.5	0	0	0	110	P234 F238 F259 I276 R278 Y290 P299	P234-L301 HydrophobicContact CB-CD2 3.61Å; P234-L301 HydrophobicContact CG-CD2 3.75Å; F238-L301 HydrophobicContact CE1-CB 4.26Å; F238-L301 HydrophobicContact CE2-CD2 4.27Å; F238-L301 HydrophobicContact CZ-CB 4.07Å; F238-L301 HydrophobicContact CZ-CD2 4.17Å; F259-L301 HydrophobicContact CE2-CD1 4.37Å; F259-L301 HydrophobicContact CE2-CD2 3.86Å; F259-L301 HydrophobicContact CZ-CD1 4.37Å; F259-L301 HydrophobicContact CZ-CD2 4.04Å; I276-L301 HydrophobicContact CB-CD1 3.7Å; I276-L301 HydrophobicContact CG2-CD1 3.73Å; I276-L301 CarbonylContact O-C 3.46Å; I276-L301 WeakPolarHBondContact O-CA 3.33Å; R278-L301 HydrophobicContact CG-CD1 3.7Å; R278-L301 HydrophobicContact CG-CG 4.47Å; Y290-L301 WeakPolarHBondContact CB-O 3.3Å; Y290-L301 HydrophobicContact CD1-CD2 4.19Å; Y290-L301 HydrophobicContact CD2-CB 3.87Å; Y290-L301 HydrophobicContact CD2-CD2 3.77Å; Y290-L301 HydrophobicContact CD2-CG 3.73Å; Y290-L301 WeakPolarHBondContact CD2-O 3.33Å; Y290-L301 HydrophobicContact CE1-CD2 4.24Å; Y290-L301 HydrophobicContact CE2-CD2 3.82Å; Y290-L301 HydrophobicContact CE2-CG 4.02Å; Y290-L301 HydrophobicContact CG-CB 4.02Å; Y290-L301 HydrophobicContact CG-CD2 3.96Å; Y290-L301 HydrophobicContact CG-CG 4.21Å; Y290-L301 PolarHBondContact N-O 2.84Å; P299-L301 VanDerWaalsContact C-N 3.3Å
302	I	98.8	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.4	174.3	-53.1	179.1	0	0	0	108.4	I276 I277 R278 R288 M289 F298 P299 L321 M328	I276-I302 PolarHBondContact O-N 2.88Å; I277-I302 HydrophobicContact CG1-CB 4.5Å; I277-I302 HydrophobicContact CG1-CD1 4.45Å; R278-I302 PolarHBondContact N-O 2.76Å; R288-I302 WeakPolarHBondContact O-CA 3.46Å; M289-I302 HydrophobicContact CE-CD1 4.05Å; M289-I302 HydrophobicContact CE-CG1 4.46Å; M289-I302 HydrophobicContact CE-CG2 3.92Å; M289-I302 HydrophobicContact SD-CB 4.21Å; M289-I302 HydrophobicContact SD-CD1 3.59Å; M289-I302 VanDerWaalsContact SD-CD1 3.59Å; M289-I302 HydrophobicContact SD-CG1 3.55Å; M289-I302 VanDerWaalsContact SD-CG1 3.55Å; M289-I302 HydrophobicContact SD-CG2 3.76Å; F298-I302 HydrophobicContact CE1-CD1 4.18Å; P299-I302 HydrophobicContact CB-CG1 4.14Å; I302-L321 HydrophobicContact CD1-CD1 4.43Å; I302-L321 HydrophobicContact CG2-CD1 4.36Å; I302-M328 HydrophobicContact CD1-CE 3.89Å; I302-M328 HydrophobicContact CD1-SD 3.38Å; I302-M328 WeakPolarHBondContact CD1-SD 3.45Å
303	T	98.9	Very high	96	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.5	165.8	-62	0	0	0	0	109	R278 A279 Q283 Y287 R288 Y290	R278-T303 VanDerWaalsContact CD-OG1 3.24Å; R278-T303 WeakPolarHBondContact CD-OG1 3.37Å; R278-T303 CarbonylContact O-C 3.53Å; R278-T303 VanDerWaalsContact O-CA 3.28Å; R278-T303 WeakPolarHBondContact O-CA 3.45Å; A279-T303 WeakPolarHBondContact O-CG2 3.32Å; Q283-T303 HydrophobicContact CG-CG2 3.78Å; Y287-T303 CarbonylContact C-O 3.49Å; Y287-T303 WeakPolarHBondContact CA-O 3.23Å; Y287-T303 WeakPolarHBondContact CB-O 3.4Å; R288-T303 PolarHBondContact N-O 3.09Å; R288-T303 PolarHBondContact O-N 3.08Å; Y290-T303 VanDerWaalsContact CE2-OG1 3.27Å; Y290-T303 WeakPolarHBondContact CE2-OG1 3.37Å; Y290-T303 PolarHBondContact OH-OG1 3.21Å; Y290-T303 VanDerWaalsContact OH-OG1 3.12Å
304	I	98.8	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.6	171.3	-168.1	66.4	0	0	0	109.5	L115 I277 R278 A279 A319 L321	L115-I304 HydrophobicContact CD1-CG2 3.61Å; I277-I304 HydrophobicContact CG2-CG2 4.43Å; R278-I304 PolarHBondContact O-N 3.46Å; A279-I304 VanDerWaalsContact CA-O 3.28Å; A279-I304 WeakPolarHBondContact CA-O 3.29Å; A279-I304 WeakPolarHBondContact CB-O 3.34Å; I304-A319 HydrophobicContact CD1-CB 3.72Å; I304-A319 WeakPolarHBondContact CD1-O 3.14Å; I304-L321 HydrophobicContact CD1-CB 4.42Å
305	F	98.9	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.009	19%	0.191	C	C	.	.			trans	-134.8	122.8	-177.3	-170.5	-103.6	0	0	0	109.8	D89 A282 Q283 G286 A307 Y310 A318 A319	D89-F305 HydrophobicContact CB-CD2 3.86Å; D89-F305 HydrophobicContact CB-CE2 3.63Å; D89-F305 VanDerWaalsContact OD2-CE2 3.25Å; D89-F305 WeakPolarHBondContact OD2-CE2 3.24Å; A282-F305 HydrophobicContact CB-CD1 4.37Å; A282-F305 HydrophobicContact CB-CE1 3.9Å; A282-F305 HydrophobicContact CB-CE2 4.07Å; A282-F305 HydrophobicContact CB-CZ 3.75Å; Q283-F305 HydrophobicContact CG-CB 4.4Å; G286-F305 PolarHBondContact O-N 2.91Å; G286-F305 VanDerWaalsContact O-O 3.04Å; F305-A307 HydrophobicContact CE1-CB 3.81Å; F305-A307 WeakPolarHBondContact CE1-O 3.39Å; F305-A307 HydrophobicContact CZ-CB 3.92Å; F305-Y310 HydrophobicContact CE1-CG 4.27Å; F305-Y310 HydrophobicContact CZ-CD1 4.15Å; F305-Y310 HydrophobicContact CZ-CD2 4.21Å; F305-Y310 AromaticContact CZ-CG 3.95Å; F305-Y310 HydrophobicContact CZ-CG 3.95Å; F305-A318 WeakPolarHBondContact O-CA 3.5Å; F305-A319 PolarHBondContact O-N 3.05Å
306	S	98.9	Very high	96.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	16%	0.156	C	C	.	.			trans	-112.6	10.2	-165	-63.2	0	0	0	0	114.4	G88 D89 P308 A319 F333	G88-S306 PolarHBondContact N-OG 2.91Å; D89-S306 CarbonylContact O-C 3.59Å; D89-S306 WeakPolarHBondContact O-CA 3.32Å; D89-S306 WeakPolarHBondContact O-CB 3.24Å; D89-S306 PolarHBondContact O-N 2.79Å; S306-P308 WeakPolarHBondContact O-CD 3.13Å; S306-A319 PolarHBondContact OG-O 2.7Å; S306-F333 WeakPolarHBondContact O-CZ 3.21Å
307	A	98.6	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.			trans	-103.5	98.9	174.5	0	0	0	0	0	111.2	D89 F305 Y310 N316	D89-A307 PolarHBondContact O-N 3.5Å; D89-A307 VanDerWaalsContact O-N 3.09Å; F305-A307 HydrophobicContact CE1-CB 3.81Å; F305-A307 WeakPolarHBondContact CE1-O 3.39Å; F305-A307 HydrophobicContact CZ-CB 3.92Å; A307-Y310 HydrophobicContact CB-CD2 4.32Å; A307-N316 PolarHBondContact O-ND2 3.3Å
308	P	98.4	Very high	96.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	151.7	-179.7	32.3	-35.2	0	0	0	110.7	Q93 D96 S306 Y310 A318 F333 C335	Q93-P308 PolarHBondContact NE2-O 2.89Å; D96-P308 HydrophobicContact CB-CG 3.8Å; D96-P308 VanDerWaalsContact CG-CG 3.46Å; S306-P308 WeakPolarHBondContact O-CD 3.13Å; P308-Y310 PolarHBondContact O-N 3.35Å; P308-A318 HydrophobicContact CB-CB 3.66Å; P308-A318 HydrophobicContact CG-CB 3.97Å; P308-F333 HydrophobicContact CG-CD2 4.19Å; P308-F333 HydrophobicContact CG-CE2 3.88Å; P308-C335 HydrophobicContact CB-CB 4Å; P308-C335 HydrophobicContact CG-CB 3.94Å
309	N	97	Very high	96.6	Very high	26 Å²	26	22 Å²	22	14%	0.139	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	50.4	-174.5	-171.2	39.2	0	0	0	112.1	L311 D312 N315 N316 C335	N309-L311 PolarHBondContact O-N 2.67Å; N309-D312 WeakPolarHBondContact ND2-CA 3.48Å; N309-D312 WeakPolarHBondContact O-CA 3.45Å; N309-D312 PolarHBondContact O-N 3.43Å; N309-N315 WeakPolarHBondContact OD1-CA 3.46Å; N309-N315 PolarHBondContact OD1-N 3.17Å; N309-N316 WeakPolarHBondContact CA-OD1 3.36Å; N309-N316 PolarHBondContact N-O 3.06Å; N309-N316 PolarHBondContact N-OD1 2.81Å; N309-C335 HydrophobicContact CB-CB 3.63Å
310	Y	95	Very high	96.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-51.9	137.5	-174.4	178.2	-128.6	0	0	0	110.9	H91 R121 A282 F305 A307 P308 D312 V313 Y314 N316	H91-Y310 HydrophobicContact CB-CE2 3.97Å; H91-Y310 AromaticContact CD2-CE2 3.48Å; H91-Y310 VanDerWaalsContact CD2-CE2 3.48Å; H91-Y310 WeakPolarHBondContact CD2-CE2 3.5Å; H91-Y310 AromaticContact CD2-CZ 3.92Å; H91-Y310 AromaticContact CG-CE2 3.87Å; R121-Y310 HydrophobicContact CB-CE2 4.09Å; R121-Y310 HydrophobicContact CG-CE2 4.29Å; R121-Y310 WeakPolarHBondContact CG-OH 3.39Å; R121-Y310 PolarHBondContact NH1-OH 3.4Å; A282-Y310 HydrophobicContact CB-CD1 4.33Å; F305-Y310 HydrophobicContact CE1-CG 4.27Å; F305-Y310 HydrophobicContact CZ-CD1 4.15Å; F305-Y310 HydrophobicContact CZ-CD2 4.21Å; F305-Y310 AromaticContact CZ-CG 3.95Å; F305-Y310 HydrophobicContact CZ-CG 3.95Å; A307-Y310 HydrophobicContact CB-CD2 4.32Å; P308-Y310 PolarHBondContact O-N 3.35Å; Y310-D312 PolarHBondContact O-N 3.05Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; Y310-V313 PolarHBondContact O-N 3.39Å; Y310-Y314 AromaticContact CD1-CD2 3.63Å; Y310-Y314 HydrophobicContact CD1-CD2 3.63Å; Y310-Y314 HydrophobicContact CD1-CE1 4.42Å; Y310-Y314 AromaticContact CD1-CE2 3.45Å; Y310-Y314 HydrophobicContact CD1-CE2 3.45Å; Y310-Y314 VanDerWaalsContact CD1-CE2 3.45Å; Y310-Y314 HydrophobicContact CD1-CG 4.17Å; Y310-Y314 AromaticContact CD1-CZ 3.85Å; Y310-Y314 HydrophobicContact CE1-CD2 4.47Å; Y310-Y314 AromaticContact CE1-CE2 3.86Å; Y310-Y314 HydrophobicContact CE1-CE2 3.86Å; Y310-Y314 HydrophobicContact CG-CD2 4.23Å; Y310-Y314 HydrophobicContact CG-CE2 4.42Å; Y310-Y314 WeakPolarHBondContact O-CB 3.28Å; Y310-Y314 VanDerWaalsContact O-CD2 3.22Å; Y310-Y314 WeakPolarHBondContact O-CD2 3.26Å; Y310-Y314 PolarHBondContact O-N 3.45Å; Y310-N316 PolarHBondContact N-OD1 3.47Å
311	L	91.6	Very high	96.6	Very high	47 Å²	47	21.2 Å²	21.2	25%	0.246	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	55	21.8	-174.7	-49.9	-173.6	0	0	0	115.2	R121 N309 V313 Y314 D467	R121-L311 HydrophobicContact CB-CD2 3.61Å; R121-L311 HydrophobicContact CG-CD2 4.48Å; N309-L311 PolarHBondContact O-N 2.67Å; L311-V313 HydrophobicContact CB-CG2 3.96Å; L311-V313 PolarHBondContact O-N 2.98Å; L311-V313 VanDerWaalsContact O-N 3.09Å; L311-Y314 HydrophobicContact CB-CD2 4.38Å; L311-Y314 HydrophobicContact CD1-CD2 4.49Å; L311-Y314 HydrophobicContact CD1-CE2 3.88Å; L311-Y314 HydrophobicContact CG-CD2 4.39Å; L311-Y314 HydrophobicContact CG-CE2 4.17Å; L311-D467 HydrophobicContact CD1-CB 4.44Å; L311-D467 WeakPolarHBondContact CD1-OD1 3.24Å; L311-D467 WeakPolarHBondContact CD1-OD2 3.49Å
312	D	92.2	Very high	96.6	Very high	93 Å²	93	23.9 Å²	23.9	50%	0.497	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	60.9	10.1	-174	-63	-38.1	0	0	0	115.7	N309 Y310 H338	N309-D312 WeakPolarHBondContact ND2-CA 3.48Å; N309-D312 WeakPolarHBondContact O-CA 3.45Å; N309-D312 PolarHBondContact O-N 3.43Å; Y310-D312 PolarHBondContact O-N 3.05Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; D312-H338 IonicContact OD1-CE1 2.77Å; D312-H338 IonicContact OD1-NE2 2.67Å; D312-H338 PolarHBondContact OD1-NE2 3.19Å; D312-H338 IonicContact OD2-CE1 2.91Å; D312-H338 PolarHBondContact OD2-CE1 3.38Å; D312-H338 VanDerWaalsContact OD2-CE1 3.31Å; D312-H338 IonicContact OD2-NE2 2.79Å; D312-H338 PolarHBondContact OD2-NE2 3.13Å
313	V	87.1	Confident	96.5	Very high	51 Å²	51	24.5 Å²	24.5	31%	0.309	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-25.5	-172.1	-62.9	0	0	0	0	115.1	Y310 L311 N315 I457 A463	Y310-V313 PolarHBondContact O-N 3.39Å; L311-V313 HydrophobicContact CB-CG2 3.96Å; L311-V313 PolarHBondContact O-N 2.98Å; L311-V313 VanDerWaalsContact O-N 3.09Å; V313-N315 VanDerWaalsContact C-N 3.25Å; V313-N315 PolarHBondContact O-N 3.22Å; V313-I457 HydrophobicContact CB-CD1 3.75Å; V313-I457 HydrophobicContact CG1-CD1 4.05Å; V313-I457 HydrophobicContact CG2-CD1 3.96Å; V313-A463 HydrophobicContact CG2-CB 4.36Å
314	Y	91.3	Very high	96.4	Very high	3 Å²	3	29 Å²	29	1%	0.012	15%	0.146	C	C	.	.	S	Bend	trans	-68.7	-26.2	-177.8	-85.4	-104.5	0	0	0	112.7	A282 Y310 L311 N316 F460 A463 K464 D467	A282-Y314 HydrophobicContact CB-CE1 4.33Å; Y310-Y314 AromaticContact CD1-CD2 3.63Å; Y310-Y314 HydrophobicContact CD1-CD2 3.63Å; Y310-Y314 HydrophobicContact CD1-CE1 4.42Å; Y310-Y314 AromaticContact CD1-CE2 3.45Å; Y310-Y314 HydrophobicContact CD1-CE2 3.45Å; Y310-Y314 VanDerWaalsContact CD1-CE2 3.45Å; Y310-Y314 HydrophobicContact CD1-CG 4.17Å; Y310-Y314 AromaticContact CD1-CZ 3.85Å; Y310-Y314 HydrophobicContact CE1-CD2 4.47Å; Y310-Y314 AromaticContact CE1-CE2 3.86Å; Y310-Y314 HydrophobicContact CE1-CE2 3.86Å; Y310-Y314 HydrophobicContact CG-CD2 4.23Å; Y310-Y314 HydrophobicContact CG-CE2 4.42Å; Y310-Y314 WeakPolarHBondContact O-CB 3.28Å; Y310-Y314 VanDerWaalsContact O-CD2 3.22Å; Y310-Y314 WeakPolarHBondContact O-CD2 3.26Å; Y310-Y314 PolarHBondContact O-N 3.45Å; L311-Y314 HydrophobicContact CB-CD2 4.38Å; L311-Y314 HydrophobicContact CD1-CD2 4.49Å; L311-Y314 HydrophobicContact CD1-CE2 3.88Å; L311-Y314 HydrophobicContact CG-CD2 4.39Å; L311-Y314 HydrophobicContact CG-CE2 4.17Å; Y314-N316 WeakPolarHBondContact CB-OD1 3.42Å; Y314-N316 PolarHBondContact O-N 2.98Å; Y314-F460 AromaticContact CD1-CD2 3.65Å; Y314-F460 HydrophobicContact CD1-CD2 3.65Å; Y314-F460 AromaticContact CD1-CE2 3.52Å; Y314-F460 HydrophobicContact CD1-CE2 3.52Å; Y314-F460 HydrophobicContact CD1-CG 4.41Å; Y314-F460 HydrophobicContact CD1-CZ 4.18Å; Y314-F460 HydrophobicContact CE1-CE2 4.17Å; Y314-F460 HydrophobicContact CE1-CZ 4.4Å; Y314-F460 HydrophobicContact CG-CD2 4.48Å; Y314-F460 HydrophobicContact CG-CE2 4.5Å; Y314-A463 HydrophobicContact CD1-CB 3.61Å; Y314-A463 HydrophobicContact CD2-CB 3.64Å; Y314-A463 HydrophobicContact CE1-CB 3.94Å; Y314-A463 HydrophobicContact CE2-CB 3.96Å; Y314-A463 HydrophobicContact CG-CB 3.51Å; Y314-K464 HydrophobicContact CE1-CB 3.78Å; Y314-K464 HydrophobicContact CE1-CG 4.45Å; Y314-K464 WeakPolarHBondContact OH-CA 3.48Å; Y314-D467 HydrophobicContact CE2-CB 4.14Å; Y314-D467 WeakPolarHBondContact OH-CB 3.48Å; Y314-D467 PolarHBondContact OH-OD2 2.8Å
315	N	93.7	Very high	96.1	Very high	130 Å²	130	35.6 Å²	35.6	70%	0.695	18%	0.181	S	C	*	.			trans	54.5	22.2	-177.7	-166.8	48.1	0	0	0	114.3	N309 V313	N309-N315 WeakPolarHBondContact OD1-CA 3.46Å; N309-N315 PolarHBondContact OD1-N 3.17Å; V313-N315 VanDerWaalsContact C-N 3.25Å; V313-N315 PolarHBondContact O-N 3.22Å
316	N	97.7	Very high	95.8	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.027	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-72.9	158.5	176.2	64.7	-65.6	0	0	0	111.8	A307 N309 Y310 Y314 F460	A307-N316 PolarHBondContact O-ND2 3.3Å; N309-N316 WeakPolarHBondContact CA-OD1 3.36Å; N309-N316 PolarHBondContact N-O 3.06Å; N309-N316 PolarHBondContact N-OD1 2.81Å; Y310-N316 PolarHBondContact N-OD1 3.47Å; Y314-N316 WeakPolarHBondContact CB-OD1 3.42Å; Y314-N316 PolarHBondContact O-N 2.98Å; N316-F460 HydrophobicContact CB-CD2 3.81Å; N316-F460 HydrophobicContact CB-CE2 3.85Å
317	K	98.2	Very high	95.6	Very high	83 Å²	83	45.2 Å²	45.2	36%	0.361	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-77.1	157.8	160.6	-65.6	177.7	178.7	-68.4	0	110	D284 G286 Q332 N334	D284-K317 PolarHBondContact O-N 3.33Å; G286-K317 WeakPolarHBondContact CA-O 3.45Å; G286-K317 PolarHBondContact N-O 2.92Å; G286-K317 VanDerWaalsContact N-O 3.14Å; K317-Q332 HydrophobicContact CD-CB 4.48Å; K317-N334 PolarHBondContact NZ-OD1 3.15Å
318	A	98.8	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	162.5	160.9	0	0	0	0	0	110.3	F305 P308 Q332 F333	F305-A318 WeakPolarHBondContact O-CA 3.5Å; P308-A318 HydrophobicContact CB-CB 3.66Å; P308-A318 HydrophobicContact CG-CB 3.97Å; A318-Q332 CarbonylContact O-C 3.48Å; A318-Q332 WeakPolarHBondContact O-CA 3.36Å; A318-F333 HydrophobicContact CB-CD1 4.04Å; A318-F333 HydrophobicContact CB-CD2 4.06Å; A318-F333 HydrophobicContact CB-CE1 3.55Å; A318-F333 HydrophobicContact CB-CE2 3.59Å; A318-F333 HydrophobicContact CB-CG 4.28Å; A318-F333 HydrophobicContact CB-CZ 3.31Å; A318-F333 PolarHBondContact N-O 3.38Å; A318-F333 PolarHBondContact O-N 3.02Å
319	A	98.8	Very high	95.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.8	169.7	0	0	0	0	0	112.5	G286 Y287 I304 F305 S306 I330 R331 Q332	G286-A319 WeakPolarHBondContact O-CB 3.4Å; Y287-A319 HydrophobicContact CD1-CB 4.33Å; I304-A319 HydrophobicContact CD1-CB 3.72Å; I304-A319 WeakPolarHBondContact CD1-O 3.14Å; F305-A319 PolarHBondContact O-N 3.05Å; S306-A319 PolarHBondContact OG-O 2.7Å; A319-I330 HydrophobicContact CB-CG2 3.73Å; A319-R331 VanDerWaalsContact CA-O 3.27Å; A319-R331 WeakPolarHBondContact CA-O 3.43Å; A319-Q332 HydrophobicContact CB-CG 4.09Å
320	I	98.7	Very high	95.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.4	164.8	58.3	-179.5	0	0	0	109.3	T85 C87 L100 V103 K322 R331 F333	T85-I320 HydrophobicContact CG2-CB 4.07Å; T85-I320 HydrophobicContact CG2-CD1 3.79Å; T85-I320 HydrophobicContact CG2-CG1 4.3Å; C87-I320 HydrophobicContact CB-CG2 4.47Å; L100-I320 HydrophobicContact CD1-CG2 3.97Å; L100-I320 HydrophobicContact CD2-CG2 4.37Å; L100-I320 HydrophobicContact CG-CG2 3.79Å; V103-I320 HydrophobicContact CB-CD1 4.38Å; V103-I320 HydrophobicContact CG1-CD1 4Å; I320-K322 HydrophobicContact CD1-CG 4.5Å; I320-R331 HydrophobicContact CD1-CB 4.31Å; I320-R331 HydrophobicContact CG1-CB 3.81Å; I320-R331 PolarHBondContact N-O 3.25Å; I320-R331 PolarHBondContact O-N 3.49Å; I320-F333 HydrophobicContact CG2-CE1 4.19Å
321	L	98.6	Very high	95.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.2	176.9	-179.6	165	0	0	0	109.3	T85 V86 I277 I302 I304 M328 I330	T85-L321 CarbonylContact C-O 3.55Å; T85-L321 WeakPolarHBondContact CA-O 3.36Å; V86-L321 HydrophobicContact CB-CB 4.26Å; V86-L321 HydrophobicContact CB-CD2 4.47Å; V86-L321 HydrophobicContact CG2-CD2 4.22Å; V86-L321 PolarHBondContact N-O 3.45Å; V86-L321 PolarHBondContact O-N 3.03Å; I277-L321 HydrophobicContact CD1-CD1 3.98Å; I277-L321 HydrophobicContact CG2-CD1 4.27Å; I302-L321 HydrophobicContact CD1-CD1 4.43Å; I302-L321 HydrophobicContact CG2-CD1 4.36Å; I304-L321 HydrophobicContact CD1-CB 4.42Å; L321-M328 HydrophobicContact CD1-CE 3.93Å; L321-M328 HydrophobicContact CD1-CG 3.89Å; L321-M328 HydrophobicContact CD1-SD 3.56Å; L321-M328 VanDerWaalsContact CD1-SD 3.56Å; L321-M328 HydrophobicContact CD2-CE 4.23Å; L321-M328 HydrophobicContact CD2-CG 3.84Å; L321-M328 HydrophobicContact CD2-SD 4.38Å; L321-M328 HydrophobicContact CG-CE 4.47Å; L321-M328 HydrophobicContact CG-CG 3.66Å; L321-M328 HydrophobicContact CG-SD 4.04Å; L321-I330 HydrophobicContact CB-CD1 3.85Å; L321-I330 HydrophobicContact CD1-CD1 4.12Å; L321-I330 HydrophobicContact CG-CD1 3.89Å
322	K	98.2	Very high	95.9	Very high	57 Å²	57	59.5 Å²	59.5	25%	0.248	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.3	174.1	-63.1	-166.4	63.6	160.8	0	109.5	T85 G104 I320 N329 R331	T85-K322 HydrophobicContact CG2-CG 4.26Å; G104-K322 WeakPolarHBondContact O-CE 3.12Å; G104-K322 PolarHBondContact O-NZ 3.44Å; I320-K322 HydrophobicContact CD1-CG 4.5Å; K322-N329 HydrophobicContact CB-CB 4.42Å; K322-N329 PolarHBondContact N-O 3.39Å; K322-N329 PolarHBondContact O-N 3.44Å; K322-R331 HydrophobicContact CD-CG 4.07Å; K322-R331 HydrophobicContact CG-CG 4.31Å
323	Y	97.9	Very high	96.2	Very high	12 Å²	12	55.6 Å²	55.6	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.5	175.5	-173.4	-116.6	0	0	0	110	A82 P83 V84 M190 N191 Q193 F194 M328	A82-Y323 HydrophobicContact CB-CD1 3.66Å; A82-Y323 HydrophobicContact CB-CE1 3.81Å; P83-Y323 CarbonylContact C-O 3.52Å; P83-Y323 WeakPolarHBondContact CA-O 3.46Å; V84-Y323 PolarHBondContact N-O 2.88Å; V84-Y323 PolarHBondContact O-N 3.3Å; M190-Y323 HydrophobicContact CE-CD1 4.11Å; M190-Y323 HydrophobicContact CE-CG 4.29Å; M190-Y323 HydrophobicContact SD-CD1 3.67Å; M190-Y323 HydrophobicContact SD-CE1 4.18Å; M190-Y323 HydrophobicContact SD-CG 4.41Å; N191-Y323 HydrophobicContact CB-CE1 4Å; Q193-Y323 PolarHBondContact OE1-OH 3.13Å; F194-Y323 HydrophobicContact CE2-CD1 4.47Å; F194-Y323 HydrophobicContact CE2-CE1 4.05Å; F194-Y323 HydrophobicContact CE2-CE2 4.24Å; F194-Y323 AromaticContact CE2-CZ 3.91Å; F194-Y323 HydrophobicContact CZ-CE2 4.37Å; Y323-M328 HydrophobicContact CD2-CB 4.22Å
324	E	95.2	Very high	96.7	Very high	96 Å²	96	57.8 Å²	57.8	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	142.7	-178.3	179.4	174.7	-164.6	0	0	109.3	P83 N326 T327	P83-E324 HydrophobicContact CB-CB 3.86Å; P83-E324 HydrophobicContact CB-CG 3.91Å; E324-N326 VanDerWaalsContact C-N 3.28Å; E324-N326 PolarHBondContact O-N 3.04Å; E324-T327 PolarHBondContact N-O 3.37Å; E324-T327 VanDerWaalsContact N-O 3.14Å; E324-T327 WeakPolarHBondContact O-CB 3.26Å; E324-T327 PolarHBondContact O-N 3.27Å
325	N	93.8	Very high	97.1	Very high	137 Å²	137	60.6 Å²	60.6	73%	0.733	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.8	178.8	-59.1	-37.5	0	0	0	113.2	T327	N325-T327 PolarHBondContact O-N 3.37Å; N325-T327 PolarHBondContact O-OG1 3.03Å
326	N	91.3	Very high	97.3	Very high	134 Å²	134	55.8 Å²	55.8	72%	0.717	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	19.6	-175.7	-62.5	-27.8	0	0	0	114.6	E324	E324-N326 VanDerWaalsContact C-N 3.28Å; E324-N326 PolarHBondContact O-N 3.04Å
327	T	95	Very high	97.3	Very high	73 Å²	73	61.4 Å²	61.4	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.3	179.8	-57.2	0	0	0	0	109.1	E324 N325	E324-T327 PolarHBondContact N-O 3.37Å; E324-T327 VanDerWaalsContact N-O 3.14Å; E324-T327 WeakPolarHBondContact O-CB 3.26Å; E324-T327 PolarHBondContact O-N 3.27Å; N325-T327 PolarHBondContact O-N 3.37Å; N325-T327 PolarHBondContact O-OG1 3.03Å
328	M	95.2	Very high	97.2	Very high	37 Å²	37	60.8 Å²	60.8	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.6	173.7	-173.2	178.1	-75.2	0	0	109.3	F194 I277 M289 F298 I302 L321 Y323	F194-M328 HydrophobicContact CD1-CE 4.37Å; F194-M328 HydrophobicContact CE1-CE 3.69Å; F194-M328 HydrophobicContact CZ-CE 3.78Å; I277-M328 HydrophobicContact CD1-CE 4.16Å; M289-M328 HydrophobicContact CE-SD 4.26Å; F298-M328 HydrophobicContact CE1-CE 4.2Å; F298-M328 HydrophobicContact CZ-CE 3.68Å; F298-M328 HydrophobicContact CZ-SD 3.89Å; I302-M328 HydrophobicContact CD1-CE 3.89Å; I302-M328 HydrophobicContact CD1-SD 3.38Å; I302-M328 WeakPolarHBondContact CD1-SD 3.45Å; L321-M328 HydrophobicContact CD1-CE 3.93Å; L321-M328 HydrophobicContact CD1-CG 3.89Å; L321-M328 HydrophobicContact CD1-SD 3.56Å; L321-M328 VanDerWaalsContact CD1-SD 3.56Å; L321-M328 HydrophobicContact CD2-CE 4.23Å; L321-M328 HydrophobicContact CD2-CG 3.84Å; L321-M328 HydrophobicContact CD2-SD 4.38Å; L321-M328 HydrophobicContact CG-CE 4.47Å; L321-M328 HydrophobicContact CG-CG 3.66Å; L321-M328 HydrophobicContact CG-SD 4.04Å; Y323-M328 HydrophobicContact CD2-CB 4.22Å
329	N	97	Very high	97.2	Very high	88 Å²	88	62.2 Å²	62.2	47%	0.471	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	-179.3	-117	-64.5	0	0	0	110.4	K322	K322-N329 HydrophobicContact CB-CB 4.42Å; K322-N329 PolarHBondContact N-O 3.39Å; K322-N329 PolarHBondContact O-N 3.44Å
330	I	98.2	Very high	97	Very high	35 Å²	35	69.8 Å²	69.8	18%	0.179	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.6	172.9	-56.3	-59.6	0	0	0	109	Y287 M289 A319 L321 Q332	Y287-I330 HydrophobicContact CD1-CG2 3.56Å; Y287-I330 HydrophobicContact CD2-CG1 4.17Å; Y287-I330 HydrophobicContact CD2-CG2 4.27Å; Y287-I330 HydrophobicContact CE1-CG2 3.86Å; Y287-I330 HydrophobicContact CE2-CG1 4.31Å; Y287-I330 HydrophobicContact CG-CG1 4.46Å; Y287-I330 HydrophobicContact CG-CG2 3.77Å; M289-I330 HydrophobicContact CE-CD1 3.62Å; M289-I330 HydrophobicContact CE-CG1 3.61Å; A319-I330 HydrophobicContact CB-CG2 3.73Å; L321-I330 HydrophobicContact CB-CD1 3.85Å; L321-I330 HydrophobicContact CD1-CD1 4.12Å; L321-I330 HydrophobicContact CG-CD1 3.89Å; I330-Q332 HydrophobicContact CG2-CG 4.47Å
331	R	98.3	Very high	96.8	Very high	128 Å²	128	72.7 Å²	72.7	48%	0.483	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.2	178.1	-63	-67.4	-65.9	-128.3	-6	109	V103 A319 I320 K322	V103-R331 HydrophobicContact CG1-CB 3.83Å; A319-R331 VanDerWaalsContact CA-O 3.27Å; A319-R331 WeakPolarHBondContact CA-O 3.43Å; I320-R331 HydrophobicContact CD1-CB 4.31Å; I320-R331 HydrophobicContact CG1-CB 3.81Å; I320-R331 PolarHBondContact N-O 3.25Å; I320-R331 PolarHBondContact O-N 3.49Å; K322-R331 HydrophobicContact CD-CG 4.07Å; K322-R331 HydrophobicContact CG-CG 4.31Å
332	Q	98.6	Very high	96.4	Very high	88 Å²	88	73.5 Å²	73.5	41%	0.411	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	151.5	177.6	-63.3	176	-64.4	0	0	111.7	A285 Y287 K317 A318 A319 I330	A285-Q332 PolarHBondContact O-NE2 2.9Å; Y287-Q332 HydrophobicContact CE1-CG 4.42Å; K317-Q332 HydrophobicContact CD-CB 4.48Å; A318-Q332 CarbonylContact O-C 3.48Å; A318-Q332 WeakPolarHBondContact O-CA 3.36Å; A319-Q332 HydrophobicContact CB-CG 4.09Å; I330-Q332 HydrophobicContact CG2-CG 4.47Å
333	F	98.7	Very high	95.8	Very high	10 Å²	10	71.8 Å²	71.8	4%	0.044	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.6	172.2	62.2	-80.9	0	0	0	111.3	K99 L100 V103 S306 P308 A318 I320	K99-F333 HydrophobicContact CB-CD2 4.44Å; K99-F333 HydrophobicContact CG-CD2 4.01Å; L100-F333 HydrophobicContact CB-CE2 4.42Å; L100-F333 HydrophobicContact CB-CZ 3.96Å; L100-F333 HydrophobicContact CD1-CZ 4.3Å; L100-F333 HydrophobicContact CG-CZ 4.31Å; V103-F333 HydrophobicContact CG2-CB 4.07Å; S306-F333 WeakPolarHBondContact O-CZ 3.21Å; P308-F333 HydrophobicContact CG-CD2 4.19Å; P308-F333 HydrophobicContact CG-CE2 3.88Å; A318-F333 HydrophobicContact CB-CD1 4.04Å; A318-F333 HydrophobicContact CB-CD2 4.06Å; A318-F333 HydrophobicContact CB-CE1 3.55Å; A318-F333 HydrophobicContact CB-CE2 3.59Å; A318-F333 HydrophobicContact CB-CG 4.28Å; A318-F333 HydrophobicContact CB-CZ 3.31Å; A318-F333 PolarHBondContact N-O 3.38Å; A318-F333 PolarHBondContact O-N 3.02Å; I320-F333 HydrophobicContact CG2-CE1 4.19Å
334	N	98.4	Very high	95.3	Very high	98 Å²	98	73.8 Å²	73.8	52%	0.524	38%	0.379	S	S	.	.			trans	-101.4	170.7	177.8	-54.8	-36.1	0	0	0	109.9	K317	K317-N334 PolarHBondContact NZ-OD1 3.15Å
335	C	98	Very high	95.1	Very high	61 Å²	61	69.6 Å²	69.6	41%	0.412	36%	0.359	S	S	.	.			trans	-67.7	156.9	-180	66.4	0	0	0	0	113.2	D96 P308 N309	D96-C335 VanDerWaalsContact OD1-CA 3.24Å; D96-C335 WeakPolarHBondContact OD1-CA 3.48Å; P308-C335 HydrophobicContact CB-CB 4Å; P308-C335 HydrophobicContact CG-CB 3.94Å; N309-C335 HydrophobicContact CB-CB 3.63Å
336	S	98.1	Very high	94.8	Very high	30 Å²	30	66.2 Å²	66.2	21%	0.21	34%	0.339	C	S	.	.			trans	-112	147.6	174.9	-57.4	0	0	0	0	109.7	D96 H338	D96-S336 PolarHBondContact OD1-N 3.16Å; S336-H338 PolarHBondContact O-N 3.47Å
337	P	97.7	Very high	94.9	Very high	123 Å²	123	63.3 Å²	63.3	80%	0.799	32%	0.324	S	S	*	.			trans	-59.2	140.6	173.4	-21.7	32.8	0	0	0	111.3
338	H	97.8	Very high	94.8	Very high	69 Å²	69	64 Å²	64	32%	0.319	33%	0.328	S	S	.	.			trans	-131.3	159.2	171.6	60.8	83.1	0	0	0	110.9	F95 F124 D312 S336	F95-H338 HydrophobicContact CB-CB 4.01Å; F95-H338 HydrophobicContact CD1-CB 4.45Å; F95-H338 HydrophobicContact CD2-CB 3.4Å; F95-H338 HydrophobicContact CE2-CB 4.02Å; F95-H338 HydrophobicContact CG-CB 3.68Å; F124-H338 HydrophobicContact CE2-CB 3.92Å; F124-H338 AromaticContact CE2-ND1 3.85Å; F124-H338 HydrophobicContact CZ-CB 4.46Å; D312-H338 IonicContact OD1-CE1 2.77Å; D312-H338 IonicContact OD1-NE2 2.67Å; D312-H338 PolarHBondContact OD1-NE2 3.19Å; D312-H338 IonicContact OD2-CE1 2.91Å; D312-H338 PolarHBondContact OD2-CE1 3.38Å; D312-H338 VanDerWaalsContact OD2-CE1 3.31Å; D312-H338 IonicContact OD2-NE2 2.79Å; D312-H338 PolarHBondContact OD2-NE2 3.13Å; S336-H338 PolarHBondContact O-N 3.47Å
339	P	97.3	Very high	94.6	Very high	31 Å²	31	69.7 Å²	69.7	20%	0.201	35%	0.352	C	S	.	.			trans	-59.5	149.3	172.3	-23.5	34.9	0	0	0	112.3	E52 F95 F124	E52-P339 HydrophobicContact CG-CB 4.11Å; E52-P339 HydrophobicContact CG-CG 3.6Å; E52-P339 WeakPolarHBondContact OE1-CB 3.46Å; E52-P339 VanDerWaalsContact OE2-CB 3.3Å; E52-P339 WeakPolarHBondContact OE2-CB 3.49Å; E52-P339 WeakPolarHBondContact OE2-CG 3.46Å; F95-P339 HydrophobicContact CE1-CG 4.29Å; F95-P339 HydrophobicContact CE2-CG 4.11Å; F95-P339 HydrophobicContact CZ-CG 3.65Å; F124-P339 HydrophobicContact CE1-CB 4.48Å; F124-P339 HydrophobicContact CE1-CG 4.45Å; F124-P339 HydrophobicContact CZ-CB 4Å; F124-P339 HydrophobicContact CZ-CG 4.17Å; F124-P339 WeakPolarHBondContact CZ-O 3.42Å
340	Y	95.3	Very high	94	Very high	158 Å²	158	69.2 Å²	69.2	62%	0.62	35%	0.352	S	S	*	.			trans	-89.7	132.8	-179.8	178.5	-100.4	0	0	0	110.9	L342 F421	Y340-L342 HydrophobicContact CE1-CD2 4.02Å; Y340-L342 HydrophobicContact CE1-CG 4.22Å; Y340-F421 WeakPolarHBondContact OH-CZ 3.37Å
341	W	94.8	Very high	93.2	Very high	62 Å²	62	74.2 Å²	74.2	24%	0.235	37%	0.369	C	S	.	.			trans	-122.2	139.1	172	-86.9	93.6	0	0	0	108.9	E52 Y123 F124 F345	E52-W341 PolarHBondContact OE1-NE1 2.87Å; Y123-W341 HydrophobicContact CD2-CB 3.45Å; Y123-W341 VanDerWaalsContact CD2-CB 3.45Å; Y123-W341 HydrophobicContact CD2-CG 4.47Å; Y123-W341 HydrophobicContact CE2-CB 4.18Å; Y123-W341 HydrophobicContact CG-CB 4.22Å; F124-W341 AromaticContact CE1-CD1 3.9Å; F124-W341 AromaticContact CE1-NE1 3.81Å; F124-W341 AromaticContact CZ-CD1 3.76Å; W341-F345 AromaticContact CD2-CD1 3.91Å; W341-F345 HydrophobicContact CD2-CD1 3.91Å; W341-F345 HydrophobicContact CD2-CE1 4.4Å; W341-F345 HydrophobicContact CE3-CB 4.25Å; W341-F345 AromaticContact CE3-CD1 3.68Å; W341-F345 HydrophobicContact CE3-CD1 3.68Å; W341-F345 HydrophobicContact CE3-CG 4.43Å; W341-F345 HydrophobicContact CG-CD1 4.41Å; W341-F345 HydrophobicContact CZ3-CB 4.33Å; W341-F345 HydrophobicContact CZ3-CD1 4.08Å
342	L	89.7	Confident	92.6	Very high	17 Å²	17	70 Å²	70	9%	0.089	36%	0.359	C	S	.	.			trans	-67.2	152.2	171.7	-77.9	168.9	0	0	0	110.3	Y340 N344 F345 M346 V348 W351	Y340-L342 HydrophobicContact CE1-CD2 4.02Å; Y340-L342 HydrophobicContact CE1-CG 4.22Å; L342-N344 PolarHBondContact O-N 3.3Å; L342-F345 PolarHBondContact O-N 2.97Å; L342-M346 HydrophobicContact CB-CB 4.3Å; L342-M346 WeakPolarHBondContact CB-O 3.37Å; L342-M346 WeakPolarHBondContact CD1-O 3.47Å; L342-V348 HydrophobicContact CD1-CG1 4.17Å; L342-W351 HydrophobicContact CD1-CB 3.84Å; L342-W351 HydrophobicContact CD1-CD2 4.03Å; L342-W351 HydrophobicContact CD1-CE3 4.15Å; L342-W351 HydrophobicContact CD1-CG 3.9Å; L342-W351 HydrophobicContact CD2-CD2 4.15Å; L342-W351 HydrophobicContact CD2-CG 4.3Å
343	P	86.2	Confident	91.8	Very high	21 Å²	21	71.5 Å²	71.5	14%	0.136	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-50.5	133.7	-179.9	-29.8	35.6	0	0	0	113.3	Y123 F345 M346 F421	Y123-P343 WeakPolarHBondContact OH-CA 3.46Å; P343-F345 PolarHBondContact O-N 3.18Å; P343-M346 WeakPolarHBondContact O-CB 3.32Å; P343-M346 PolarHBondContact O-N 3.4Å; P343-F421 HydrophobicContact CG-CE2 4.07Å; P343-F421 HydrophobicContact CG-CZ 4.19Å
344	N	86.4	Confident	90.9	Very high	54 Å²	54	74.9 Å²	74.9	29%	0.289	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	57.3	32.3	-178.6	-160.4	35.6	0	0	0	114.3	Y123 Q163 L342 M346	Y123-N344 PolarHBondContact OH-N 3.21Å; Q163-N344 WeakPolarHBondContact CG-OD1 3.42Å; L342-N344 PolarHBondContact O-N 3.3Å; N344-M346 PolarHBondContact O-N 3.38Å
345	F	92	Very high	90.1	Very high	7 Å²	7	75.2 Å²	75.2	3%	0.031	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	57.5	29.8	178.6	-53.7	-87	0	0	0	114.3	Y123 Q163 E164 I167 W341 L342 P343	Y123-F345 HydrophobicContact CD1-CE1 4.36Å; Y123-F345 HydrophobicContact CD1-CE2 4.05Å; Y123-F345 AromaticContact CD1-CZ 3.74Å; Y123-F345 HydrophobicContact CD1-CZ 3.74Å; Y123-F345 HydrophobicContact CG-CE1 4.08Å; Y123-F345 AromaticContact CG-CZ 3.91Å; Y123-F345 HydrophobicContact CG-CZ 3.91Å; Y123-F345 WeakPolarHBondContact O-CE1 3.46Å; Q163-F345 HydrophobicContact CG-CD2 4.3Å; E164-F345 HydrophobicContact CB-CD2 4.27Å; E164-F345 HydrophobicContact CB-CE1 4.29Å; E164-F345 HydrophobicContact CB-CE2 3.42Å; E164-F345 VanDerWaalsContact CB-CE2 3.42Å; E164-F345 HydrophobicContact CB-CZ 3.44Å; E164-F345 VanDerWaalsContact CB-CZ 3.44Å; E164-F345 HydrophobicContact CG-CE1 3.9Å; E164-F345 HydrophobicContact CG-CE2 3.95Å; E164-F345 HydrophobicContact CG-CZ 3.4Å; E164-F345 VanDerWaalsContact CG-CZ 3.4Å; I167-F345 HydrophobicContact CB-CB 4.24Å; I167-F345 HydrophobicContact CG1-CB 3.97Å; I167-F345 HydrophobicContact CG2-CB 4.05Å; W341-F345 AromaticContact CD2-CD1 3.91Å; W341-F345 HydrophobicContact CD2-CD1 3.91Å; W341-F345 HydrophobicContact CD2-CE1 4.4Å; W341-F345 HydrophobicContact CE3-CB 4.25Å; W341-F345 AromaticContact CE3-CD1 3.68Å; W341-F345 HydrophobicContact CE3-CD1 3.68Å; W341-F345 HydrophobicContact CE3-CG 4.43Å; W341-F345 HydrophobicContact CG-CD1 4.41Å; W341-F345 HydrophobicContact CZ3-CB 4.33Å; W341-F345 HydrophobicContact CZ3-CD1 4.08Å; L342-F345 PolarHBondContact O-N 2.97Å; P343-F345 PolarHBondContact O-N 3.18Å
346	M	87.9	Confident	89.3	Confident	66 Å²	66	75.7 Å²	75.7	33%	0.325	39%	0.39	S	S	.	.			trans	-65	134.9	-179.4	-169	178.9	-57.9	0	0	111.3	L342 P343 N344 T350 W351	L342-M346 HydrophobicContact CB-CB 4.3Å; L342-M346 WeakPolarHBondContact CB-O 3.37Å; L342-M346 WeakPolarHBondContact CD1-O 3.47Å; P343-M346 WeakPolarHBondContact O-CB 3.32Å; P343-M346 PolarHBondContact O-N 3.4Å; N344-M346 PolarHBondContact O-N 3.38Å; M346-T350 HydrophobicContact CG-CG2 3.7Å; M346-T350 HydrophobicContact SD-CG2 3.88Å; M346-W351 HydrophobicContact CG-CB 4.26Å; M346-W351 VanDerWaalsContact SD-CA 3.58Å; M346-W351 HydrophobicContact SD-CB 3.8Å
347	D	92.8	Very high	88.4	Confident	74 Å²	74	76 Å²	76	40%	0.396	40%	0.398	S	S	.	.			trans	-75.2	156.8	172.6	72.4	88	0	0	0	111.6	F349 T350 W351	D347-F349 PolarHBondContact O-N 3.4Å; D347-F349 WeakPolarHBondContact OD1-CA 3.49Å; D347-F349 VanDerWaalsContact OD1-CB 3.24Å; D347-F349 WeakPolarHBondContact OD1-CB 3.35Å; D347-F349 PolarHBondContact OD1-N 3.24Å; D347-T350 PolarHBondContact O-N 2.79Å; D347-T350 PolarHBondContact OD1-N 2.88Å; D347-T350 PolarHBondContact OD1-OG1 2.74Å; D347-T350 VanDerWaalsContact OD2-CB 3.31Å; D347-T350 WeakPolarHBondContact OD2-CB 3.35Å; D347-T350 PolarHBondContact OD2-OG1 2.93Å; D347-W351 PolarHBondContact O-N 2.89Å
348	V	92.5	Very high	87.3	Confident	88 Å²	88	71 Å²	71	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-22.8	-175.1	-64.3	0	0	0	0	113.6	L342 S352	L342-V348 HydrophobicContact CD1-CG1 4.17Å; V348-S352 VanDerWaalsContact O-CB 3.23Å; V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 3.33Å; V348-S352 PolarHBondContact O-OG 2.9Å
349	F	91.2	Very high	86.5	Confident	156 Å²	156	70 Å²	70	68%	0.684	36%	0.359	S	S	*	.	H	α-helix	trans	-74.8	-51	174.4	-59.8	-71.5	0	0	0	109.9	D347 W351 S352 L353	D347-F349 PolarHBondContact O-N 3.4Å; D347-F349 WeakPolarHBondContact OD1-CA 3.49Å; D347-F349 VanDerWaalsContact OD1-CB 3.24Å; D347-F349 WeakPolarHBondContact OD1-CB 3.35Å; D347-F349 PolarHBondContact OD1-N 3.24Å; F349-W351 PolarHBondContact O-N 2.77Å; F349-S352 PolarHBondContact O-N 3.44Å; F349-L353 WeakPolarHBondContact O-CB 3.29Å; F349-L353 PolarHBondContact O-N 3.48Å
350	T	84.9	Confident	86	Confident	78 Å²	78	72.1 Å²	72.1	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-55.6	-38.8	175.9	-60.8	0	0	0	0	111.5	M346 D347 P354	M346-T350 HydrophobicContact CG-CG2 3.7Å; M346-T350 HydrophobicContact SD-CG2 3.88Å; D347-T350 PolarHBondContact O-N 2.79Å; D347-T350 PolarHBondContact OD1-N 2.88Å; D347-T350 PolarHBondContact OD1-OG1 2.74Å; D347-T350 VanDerWaalsContact OD2-CB 3.31Å; D347-T350 WeakPolarHBondContact OD2-CB 3.35Å; D347-T350 PolarHBondContact OD2-OG1 2.93Å; T350-P354 VanDerWaalsContact O-CD 3.32Å; T350-P354 WeakPolarHBondContact O-CD 3.27Å
351	W	81.5	Confident	85.2	Confident	140 Å²	140	68.1 Å²	68.1	53%	0.53	36%	0.363	S	S	.	.	H	α-helix	trans	-68.8	-47.2	176.9	176.4	61.5	0	0	0	113.7	L342 M346 D347 F349	L342-W351 HydrophobicContact CD1-CB 3.84Å; L342-W351 HydrophobicContact CD1-CD2 4.03Å; L342-W351 HydrophobicContact CD1-CE3 4.15Å; L342-W351 HydrophobicContact CD1-CG 3.9Å; L342-W351 HydrophobicContact CD2-CD2 4.15Å; L342-W351 HydrophobicContact CD2-CG 4.3Å; M346-W351 HydrophobicContact CG-CB 4.26Å; M346-W351 VanDerWaalsContact SD-CA 3.58Å; M346-W351 HydrophobicContact SD-CB 3.8Å; D347-W351 PolarHBondContact O-N 2.89Å; F349-W351 PolarHBondContact O-N 2.77Å
352	S	85.7	Confident	84.4	Confident	40 Å²	40	68.4 Å²	68.4	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-88.8	-25.9	-171.1	63.9	0	0	0	0	114.4	V348 F349 F355 V356	V348-S352 VanDerWaalsContact O-CB 3.23Å; V348-S352 WeakPolarHBondContact O-CB 3.43Å; V348-S352 PolarHBondContact O-N 3.33Å; V348-S352 PolarHBondContact O-OG 2.9Å; F349-S352 PolarHBondContact O-N 3.44Å; S352-F355 WeakPolarHBondContact O-CB 3.48Å; S352-F355 PolarHBondContact O-N 3.23Å; S352-V356 WeakPolarHBondContact O-CG2 3.45Å; S352-V356 PolarHBondContact O-N 3.02Å
353	L	82	Confident	84.2	Confident	119 Å²	119	73.5 Å²	73.5	62%	0.623	39%	0.391	S	S	*	.	H	α-helix	trans	-61.1	-38.8	-172.7	-165.6	68.1	0	0	0	113.8	F349 F355 V356 G357	F349-L353 WeakPolarHBondContact O-CB 3.29Å; F349-L353 PolarHBondContact O-N 3.48Å; L353-F355 VanDerWaalsContact C-N 3.31Å; L353-F355 PolarHBondContact O-N 2.97Å; L353-V356 PolarHBondContact O-N 2.95Å; L353-G357 PolarHBondContact O-N 2.97Å
354	P	79.3	Confident	84	Confident	80 Å²	80	77.1 Å²	77.1	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-58.5	-43	172.3	-25.2	35.5	0	0	0	112.5	T350 G357 E358	T350-P354 VanDerWaalsContact O-CD 3.32Å; T350-P354 WeakPolarHBondContact O-CD 3.27Å; P354-G357 PolarHBondContact O-N 3.28Å; P354-E358 WeakPolarHBondContact O-CB 3.45Å; P354-E358 PolarHBondContact O-N 3.04Å
355	F	81.1	Confident	83.5	Confident	106 Å²	106	77.2 Å²	77.2	47%	0.465	41%	0.409	S	S	.	.	H	α-helix	trans	-69.2	-42.2	178.9	-179.3	-95.9	0	0	0	112	S352 L353 E358 K359	S352-F355 WeakPolarHBondContact O-CB 3.48Å; S352-F355 PolarHBondContact O-N 3.23Å; L353-F355 VanDerWaalsContact C-N 3.31Å; L353-F355 PolarHBondContact O-N 2.97Å; F355-E358 WeakPolarHBondContact O-CB 3.49Å; F355-E358 PolarHBondContact O-N 3.37Å; F355-K359 HydrophobicContact CD1-CG 3.99Å; F355-K359 HydrophobicContact CD2-CG 4.38Å; F355-K359 HydrophobicContact CE1-CD 4.27Å; F355-K359 HydrophobicContact CE1-CG 3.62Å; F355-K359 HydrophobicContact CE2-CD 4.22Å; F355-K359 VanDerWaalsContact CE2-CE 3.44Å; F355-K359 HydrophobicContact CE2-CG 4.06Å; F355-K359 HydrophobicContact CG-CG 4.36Å; F355-K359 HydrophobicContact CZ-CD 3.85Å; F355-K359 HydrophobicContact CZ-CG 3.66Å; F355-K359 WeakPolarHBondContact O-CB 3.48Å; F355-K359 VanDerWaalsContact O-CG 3.27Å; F355-K359 WeakPolarHBondContact O-CG 3.3Å; F355-K359 PolarHBondContact O-N 3.21Å
356	V	82.4	Confident	83.1	Confident	71 Å²	71	81.5 Å²	81.5	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-60.6	-47.8	174.9	172.4	0	0	0	0	110.3	S352 L353 E358 K359 V360	S352-V356 WeakPolarHBondContact O-CG2 3.45Å; S352-V356 PolarHBondContact O-N 3.02Å; L353-V356 PolarHBondContact O-N 2.95Å; V356-E358 VanDerWaalsContact C-N 3.32Å; V356-E358 PolarHBondContact O-N 2.92Å; V356-K359 PolarHBondContact O-N 3.15Å; V356-V360 HydrophobicContact CG1-CG2 4.26Å; V356-V360 WeakPolarHBondContact O-CB 3.33Å; V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.42Å; V356-V360 PolarHBondContact O-N 3.48Å
357	G	77.5	Confident	82.9	Confident	36 Å²	36	82.3 Å²	82.3	37%	0.371	44%	0.44	S	S	.	.	H	α-helix	trans	-58.7	-43.1	177.2	0	0	0	0	0	112.4	L353 P354 T361	L353-G357 PolarHBondContact O-N 2.97Å; P354-G357 PolarHBondContact O-N 3.28Å; G357-T361 VanDerWaalsContact O-CB 3.31Å; G357-T361 WeakPolarHBondContact O-CB 3.3Å; G357-T361 PolarHBondContact O-N 2.98Å; G357-T361 VanDerWaalsContact O-N 3.09Å; G357-T361 PolarHBondContact O-OG1 3.05Å
358	E	74.7	Confident	82.2	Confident	18 Å²	18	84.3 Å²	84.3	8%	0.084	45%	0.45	C	S	.	.	H	α-helix	trans	-59.2	-55.1	173.5	177.6	-169.3	147.6	0	0	111.9	P354 F355 V356 V360 T361 E362 F410	P354-E358 WeakPolarHBondContact O-CB 3.45Å; P354-E358 PolarHBondContact O-N 3.04Å; F355-E358 WeakPolarHBondContact O-CB 3.49Å; F355-E358 PolarHBondContact O-N 3.37Å; V356-E358 VanDerWaalsContact C-N 3.32Å; V356-E358 PolarHBondContact O-N 2.92Å; E358-V360 PolarHBondContact O-N 3.44Å; E358-T361 WeakPolarHBondContact O-CB 3.28Å; E358-T361 PolarHBondContact O-N 3.34Å; E358-T361 VanDerWaalsContact O-N 3.16Å; E358-E362 WeakPolarHBondContact O-CB 3.3Å; E358-E362 PolarHBondContact O-N 3.36Å; E358-F410 HydrophobicContact CB-CD1 3.89Å; E358-F410 HydrophobicContact CB-CE1 4.26Å; E358-F410 HydrophobicContact CB-CG 4.22Å; E358-F410 VanDerWaalsContact CD-CB 3.48Å; E358-F410 HydrophobicContact CG-CB 3.6Å; E358-F410 HydrophobicContact CG-CD1 3.74Å; E358-F410 HydrophobicContact CG-CD2 4.5Å; E358-F410 HydrophobicContact CG-CG 3.71Å; E358-F410 VanDerWaalsContact OE2-CD1 3.26Å; E358-F410 WeakPolarHBondContact OE2-CD1 3.48Å
359	K	81.2	Confident	81.6	Confident	49 Å²	49	84.2 Å²	84.2	21%	0.213	45%	0.454	C	S	.	.	H	α-helix	trans	-66.8	-38.4	-172.8	-68.6	-75.3	147.8	-97.5	0	112.6	F355 V356 T361 E362 M363 R414	F355-K359 HydrophobicContact CD1-CG 3.99Å; F355-K359 HydrophobicContact CD2-CG 4.38Å; F355-K359 HydrophobicContact CE1-CD 4.27Å; F355-K359 HydrophobicContact CE1-CG 3.62Å; F355-K359 HydrophobicContact CE2-CD 4.22Å; F355-K359 VanDerWaalsContact CE2-CE 3.44Å; F355-K359 HydrophobicContact CE2-CG 4.06Å; F355-K359 HydrophobicContact CG-CG 4.36Å; F355-K359 HydrophobicContact CZ-CD 3.85Å; F355-K359 HydrophobicContact CZ-CG 3.66Å; F355-K359 WeakPolarHBondContact O-CB 3.48Å; F355-K359 VanDerWaalsContact O-CG 3.27Å; F355-K359 WeakPolarHBondContact O-CG 3.3Å; F355-K359 PolarHBondContact O-N 3.21Å; V356-K359 PolarHBondContact O-N 3.15Å; K359-T361 VanDerWaalsContact C-N 3.34Å; K359-E362 IonicContact NZ-OE2 3.12Å; K359-E362 PolarHBondContact NZ-OE2 3.49Å; K359-E362 PolarHBondContact O-N 3.35Å; K359-M363 WeakPolarHBondContact O-CB 3.21Å; K359-M363 PolarHBondContact O-N 2.96Å; K359-R414 VanDerWaalsContact CE-CD 3.43Å
360	V	86.6	Confident	81.1	Confident	75 Å²	75	83.2 Å²	83.2	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-65.3	-41.7	174	174.8	0	0	0	0	110	V356 E358 M363 L364	V356-V360 HydrophobicContact CG1-CG2 4.26Å; V356-V360 WeakPolarHBondContact O-CB 3.33Å; V356-V360 VanDerWaalsContact O-CG2 3.3Å; V356-V360 WeakPolarHBondContact O-CG2 3.42Å; V356-V360 PolarHBondContact O-N 3.48Å; E358-V360 PolarHBondContact O-N 3.44Å; V360-M363 PolarHBondContact O-N 3.46Å; V360-L364 HydrophobicContact CG1-CD1 4.11Å; V360-L364 HydrophobicContact CG1-CG 4.44Å; V360-L364 WeakPolarHBondContact O-CB 3.24Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.37Å; V360-L364 PolarHBondContact O-N 2.99Å
361	T	78	Confident	80.2	Confident	73 Å²	73	82 Å²	82	45%	0.448	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-43.8	176.1	-57	0	0	0	0	111.7	G357 E358 K359 L364 M365	G357-T361 VanDerWaalsContact O-CB 3.31Å; G357-T361 WeakPolarHBondContact O-CB 3.3Å; G357-T361 PolarHBondContact O-N 2.98Å; G357-T361 VanDerWaalsContact O-N 3.09Å; G357-T361 PolarHBondContact O-OG1 3.05Å; E358-T361 WeakPolarHBondContact O-CB 3.28Å; E358-T361 PolarHBondContact O-N 3.34Å; E358-T361 VanDerWaalsContact O-N 3.16Å; K359-T361 VanDerWaalsContact C-N 3.34Å; T361-L364 PolarHBondContact O-N 3.41Å; T361-M365 WeakPolarHBondContact O-CB 3.17Å; T361-M365 VanDerWaalsContact O-CG 3.31Å; T361-M365 WeakPolarHBondContact O-CG 3.28Å; T361-M365 PolarHBondContact O-N 2.95Å
362	E	79.4	Confident	79.1	Confident	68 Å²	68	77.9 Å²	77.9	32%	0.318	44%	0.441	S	S	.	.	H	α-helix	trans	-59.6	-47.1	175.2	-175.6	-172.2	163.2	0	0	111.2	E358 K359 L364 M365 N366	E358-E362 WeakPolarHBondContact O-CB 3.3Å; E358-E362 PolarHBondContact O-N 3.36Å; K359-E362 IonicContact NZ-OE2 3.12Å; K359-E362 PolarHBondContact NZ-OE2 3.49Å; K359-E362 PolarHBondContact O-N 3.35Å; E362-L364 PolarHBondContact O-N 2.65Å; E362-M365 PolarHBondContact O-N 2.96Å; E362-N366 VanDerWaalsContact O-CG 3.28Å; E362-N366 PolarHBondContact O-N 3.18Å; E362-N366 PolarHBondContact O-ND2 2.98Å
363	M	84.8	Confident	77.9	Confident	124 Å²	124	82.1 Å²	82.1	61%	0.611	46%	0.46	S	S	*	.	H	α-helix	trans	-57.8	-49.1	175.9	178.5	-175.9	173.4	0	0	111.2	K359 V360 M365 N366 V367	K359-M363 WeakPolarHBondContact O-CB 3.21Å; K359-M363 PolarHBondContact O-N 2.96Å; V360-M363 PolarHBondContact O-N 3.46Å; M363-M365 VanDerWaalsContact C-N 3.31Å; M363-M365 PolarHBondContact O-N 2.93Å; M363-N366 PolarHBondContact O-N 2.66Å; M363-V367 WeakPolarHBondContact O-CG2 3.48Å; M363-V367 PolarHBondContact O-N 3.01Å
364	L	82.5	Confident	76.7	Confident	97 Å²	97	82.2 Å²	82.2	51%	0.508	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-37.8	178.7	-68.5	174.6	0	0	0	111.9	V360 T361 E362 V367 L368	V360-L364 HydrophobicContact CG1-CD1 4.11Å; V360-L364 HydrophobicContact CG1-CG 4.44Å; V360-L364 WeakPolarHBondContact O-CB 3.24Å; V360-L364 VanDerWaalsContact O-CG 3.24Å; V360-L364 WeakPolarHBondContact O-CG 3.37Å; V360-L364 PolarHBondContact O-N 2.99Å; T361-L364 PolarHBondContact O-N 3.41Å; E362-L364 PolarHBondContact O-N 2.65Å; L364-V367 PolarHBondContact O-N 3.45Å; L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.25Å; L364-L368 PolarHBondContact O-N 3.42Å
365	M	75.4	Confident	75.7	Confident	57 Å²	57	83.7 Å²	83.7	28%	0.281	46%	0.462	S	S	.	.	H	α-helix	trans	-65.1	-41.8	174.8	-76.3	-60.7	-62.3	0	0	112.1	T361 E362 M363 L368 S369 I403	T361-M365 WeakPolarHBondContact O-CB 3.17Å; T361-M365 VanDerWaalsContact O-CG 3.31Å; T361-M365 WeakPolarHBondContact O-CG 3.28Å; T361-M365 PolarHBondContact O-N 2.95Å; E362-M365 PolarHBondContact O-N 2.96Å; M363-M365 VanDerWaalsContact C-N 3.31Å; M363-M365 PolarHBondContact O-N 2.93Å; M365-L368 PolarHBondContact O-N 3.38Å; M365-S369 WeakPolarHBondContact O-CB 3.4Å; M365-S369 PolarHBondContact O-N 3Å; M365-S369 PolarHBondContact O-OG 3.23Å; M365-I403 HydrophobicContact CE-CG2 3.96Å; M365-I403 HydrophobicContact CG-CG2 3.84Å; M365-I403 HydrophobicContact SD-CD1 4.47Å; M365-I403 HydrophobicContact SD-CG2 3.57Å; M365-I403 VanDerWaalsContact SD-CG2 3.57Å
366	N	84.2	Confident	74.4	Confident	96 Å²	96	84.9 Å²	84.9	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-41.3	175.4	-69.7	-24.5	0	0	0	111.1	E362 M363 S369	E362-N366 VanDerWaalsContact O-CG 3.28Å; E362-N366 PolarHBondContact O-N 3.18Å; E362-N366 PolarHBondContact O-ND2 2.98Å; M363-N366 PolarHBondContact O-N 2.66Å; N366-S369 WeakPolarHBondContact CA-OG 3.38Å; N366-S369 PolarHBondContact O-N 3.32Å; N366-S369 PolarHBondContact O-OG 2.79Å
367	V	84.2	Confident	73.1	Confident	84 Å²	84	87 Å²	87	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-62.4	-45.2	173.8	172.2	0	0	0	0	111	M363 L364 S369 I370	M363-V367 WeakPolarHBondContact O-CG2 3.48Å; M363-V367 PolarHBondContact O-N 3.01Å; L364-V367 PolarHBondContact O-N 3.45Å; V367-S369 VanDerWaalsContact C-N 3.28Å; V367-S369 PolarHBondContact O-N 3.05Å; V367-I370 WeakPolarHBondContact O-CB 3.45Å; V367-I370 WeakPolarHBondContact O-CG2 3.48Å; V367-I370 PolarHBondContact O-N 3.48Å
368	L	78.2	Confident	72	Confident	115 Å²	115	93.3 Å²	93.3	60%	0.602	50%	0.496	S	S	*	.	H	α-helix	trans	-68.1	-27.9	178.3	-71.1	172.2	0	0	0	113	L364 M365 I370 C371	L364-L368 WeakPolarHBondContact O-CB 3.49Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.25Å; L364-L368 PolarHBondContact O-N 3.42Å; M365-L368 PolarHBondContact O-N 3.38Å; L368-I370 PolarHBondContact O-N 3.47Å; L368-C371 PolarHBondContact O-N 3.41Å
369	S	80	Confident	70.7	Confident	87 Å²	87	100.1 Å²	100.1	61%	0.608	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.7	177.1	74.1	0	0	0	0	114.2	M365 N366 V367 C371	M365-S369 WeakPolarHBondContact O-CB 3.4Å; M365-S369 PolarHBondContact O-N 3Å; M365-S369 PolarHBondContact O-OG 3.23Å; N366-S369 WeakPolarHBondContact CA-OG 3.38Å; N366-S369 PolarHBondContact O-N 3.32Å; N366-S369 PolarHBondContact O-OG 2.79Å; V367-S369 VanDerWaalsContact C-N 3.28Å; V367-S369 PolarHBondContact O-N 3.05Å; S369-C371 PolarHBondContact O-N 3.36Å
370	I	79.1	Confident	69.2	Low	134 Å²	134	101.4 Å²	101.4	69%	0.687	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-28.5	172.5	-156.9	62.8	0	0	0	111.5	V367 L368 S372	V367-I370 WeakPolarHBondContact O-CB 3.45Å; V367-I370 WeakPolarHBondContact O-CG2 3.48Å; V367-I370 PolarHBondContact O-N 3.48Å; L368-I370 PolarHBondContact O-N 3.47Å; I370-S372 PolarHBondContact O-N 2.98Å; I370-S372 VanDerWaalsContact O-N 3.14Å
371	C	67.6	Low	67.1	Low	54 Å²	54	105.1 Å²	105.1	37%	0.365	57%	0.572	S	S	.	*	S	Bend	trans	-71.3	110.4	174.7	-68.6	0	0	0	0	108.3	L368 S369 E375 L376	L368-C371 PolarHBondContact O-N 3.41Å; S369-C371 PolarHBondContact O-N 3.36Å; C371-E375 WeakPolarHBondContact CA-OE2 2.9Å; C371-L376 HydrophobicContact CB-CG 4.47Å
372	S	58	Low	65.6	Low	52 Å²	52	107.1 Å²	107.1	36%	0.364	58%	0.58	S	S	.	*			trans	-61.6	151.4	171.7	39.6	0	0	0	0	109.5	I370 D374 E375 L376	I370-S372 PolarHBondContact O-N 2.98Å; I370-S372 VanDerWaalsContact O-N 3.14Å; S372-D374 PolarHBondContact O-N 2.8Å; S372-E375 PolarHBondContact O-N 3.12Å; S372-E375 WeakPolarHBondContact OG-CG 3.13Å; S372-L376 PolarHBondContact O-N 2.87Å; S372-L376 VanDerWaalsContact O-N 3.12Å
373	D	60.8	Low	63.6	Low	130 Å²	130	110.1 Å²	110.1	70%	0.695	60%	0.603	S	S	*	*	H	α-helix	trans	-50.2	-34	170.3	-78.7	-26.9	0	0	0	109.7	E375 L376 M377	D373-E375 PolarHBondContact O-N 3.14Å; D373-L376 CarbonylContact O-C 3.59Å; D373-L376 PolarHBondContact O-N 3.34Å; D373-M377 WeakPolarHBondContact O-CB 3.41Å; D373-M377 WeakPolarHBondContact O-CG 3.2Å; D373-M377 PolarHBondContact O-N 3.32Å
374	D	54.9	Low	61.6	Low	120 Å²	120	114 Å²	114	64%	0.642	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-32.1	175.4	-63.6	-21.6	0	0	0	114.5	S372 M377 K378	S372-D374 PolarHBondContact O-N 2.8Å; D374-M377 CarbonylContact O-C 3.56Å; D374-M377 PolarHBondContact O-N 2.77Å; D374-K378 WeakPolarHBondContact O-CB 3.47Å; D374-K378 WeakPolarHBondContact O-CG 3.36Å; D374-K378 PolarHBondContact O-N 3.4Å
375	E	60.1	Low	59.7	Low	112 Å²	112	118.9 Å²	118.9	52%	0.523	64%	0.637	S	S	.	*	H	α-helix	trans	-76.2	-30.7	172.9	-77.6	178.3	172.4	0	0	112.2	C371 S372 D373 M377	C371-E375 WeakPolarHBondContact CA-OE2 2.9Å; S372-E375 PolarHBondContact O-N 3.12Å; S372-E375 WeakPolarHBondContact OG-CG 3.13Å; D373-E375 PolarHBondContact O-N 3.14Å; E375-M377 VanDerWaalsContact C-N 3.32Å
376	L	52.4	Low	58.2	Low	130 Å²	130	118.2 Å²	118.2	68%	0.681	65%	0.645	S	S	*	*	H	α-helix	trans	-75.8	-23.1	171	-78.4	159.8	0	0	0	112.6	C371 S372 D373	C371-L376 HydrophobicContact CB-CG 4.47Å; S372-L376 PolarHBondContact O-N 2.87Å; S372-L376 VanDerWaalsContact O-N 3.12Å; D373-L376 CarbonylContact O-C 3.59Å; D373-L376 PolarHBondContact O-N 3.34Å
377	M	56.1	Low	56.9	Low	116 Å²	116	117.1 Å²	117.1	57%	0.571	66%	0.656	S	S	*	*	H	α-helix	trans	-102.7	-7.5	-178	-63.1	-82.8	-116.4	0	0	112.8	D373 D374 E375 E379 K393	D373-M377 WeakPolarHBondContact O-CB 3.41Å; D373-M377 WeakPolarHBondContact O-CG 3.2Å; D373-M377 PolarHBondContact O-N 3.32Å; D374-M377 CarbonylContact O-C 3.56Å; D374-M377 PolarHBondContact O-N 2.77Å; E375-M377 VanDerWaalsContact C-N 3.32Å; M377-E379 VanDerWaalsContact C-N 3.31Å; M377-E379 PolarHBondContact O-N 3.48Å; M377-K393 PolarHBondContact SD-NZ 3.28Å
378	K	53.6	Low	55.9	Low	169 Å²	169	118.3 Å²	118.3	74%	0.735	66%	0.663	S	S	*	*	S	Bend	trans	-65.3	97.9	169.4	-99.1	179.1	180	175.7	0	108.3	D374 G380	D374-K378 WeakPolarHBondContact O-CB 3.47Å; D374-K378 WeakPolarHBondContact O-CG 3.36Å; D374-K378 PolarHBondContact O-N 3.4Å; K378-G380 PolarHBondContact O-N 2.88Å
379	E	47.4	Very low	55.1	Low	161 Å²	161	116.6 Å²	116.6	75%	0.752	66%	0.658	S	S	*	*			trans	-46.7	107.3	171.3	-68.4	175.8	155.8	0	0	108.7	M377 D381	M377-E379 VanDerWaalsContact C-N 3.31Å; M377-E379 PolarHBondContact O-N 3.48Å; E379-D381 VanDerWaalsContact C-N 3.32Å; E379-D381 PolarHBondContact O-N 3.32Å; E379-D381 VanDerWaalsContact O-N 3.14Å
380	G	49.1	Very low	54.5	Low	75 Å²	75	115.6 Å²	115.6	77%	0.773	66%	0.655	S	S	*	*			trans	-63.9	106.8	149.4	0	0	0	0	0	105.8	K378	K378-G380 PolarHBondContact O-N 2.88Å
381	D	43.6	Very low	54.1	Low	154 Å²	154	112.2 Å²	112.2	82%	0.824	65%	0.647	S	S	*	*	S	Bend	trans	19.8	99.9	164.9	-114.7	-15.8	0	0	0	115	E379 T383	E379-D381 VanDerWaalsContact C-N 3.32Å; E379-D381 PolarHBondContact O-N 3.32Å; E379-D381 VanDerWaalsContact O-N 3.14Å; D381-T383 PolarHBondContact O-N 3.33Å
382	D	45.5	Very low	54.2	Low	114 Å²	114	118.8 Å²	118.8	61%	0.61	66%	0.664	S	S	*	*	S	Bend	trans	-3.1	110.4	149.5	-71.6	-45	0	0	0	116.2
383	T	39.3	Very low	54.7	Low	131 Å²	131	121.5 Å²	121.5	80%	0.804	67%	0.669	S	S	*	*				160.1	82.1	118.5	36.6	0	0	0	0	110.2	D381	D381-T383 PolarHBondContact O-N 3.33Å
384	F	42	Very low	55.4	Low	205 Å²	205	118.6 Å²	118.6	90%	0.899	65%	0.651	S	S	*	*			trans	-141.4	92.5	160.1	-112.7	-86.1	0	0	0	110.4	G386	F384-G386 PolarHBondContact O-N 2.86Å
385	E	41.7	Very low	56.3	Low	201 Å²	201	116.7 Å²	116.7	94%	0.939	64%	0.644	S	S	*	*			trans	-61.4	126.9	165	-69.2	-174.6	150.1	0	0	109.9
386	G	45.4	Very low	56.8	Low	43 Å²	43	116.1 Å²	116.1	44%	0.443	64%	0.643	S	S	.	*			trans	159.6	125	167.4	0	0	0	0	0	113.6	F384 T388 V389	F384-G386 PolarHBondContact O-N 2.86Å; G386-T388 PolarHBondContact O-N 3.39Å; G386-T388 PolarHBondContact O-OG1 2.9Å; G386-V389 PolarHBondContact O-N 3.25Å
387	G	56.1	Low	57.7	Low	73 Å²	73	115.8 Å²	115.8	75%	0.753	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	3.7	-178.1	0	0	0	0	0	117.1	V389	G387-V389 VanDerWaalsContact C-N 3.33Å
388	T	62.9	Low	58.5	Low	108 Å²	108	114 Å²	114	66%	0.663	63%	0.626	S	S	*	*	H	α-helix	trans	-69.8	-26.3	172.6	51.7	0	0	0	0	112.9	G386 R392	G386-T388 PolarHBondContact O-N 3.39Å; G386-T388 PolarHBondContact O-OG1 2.9Å; T388-R392 PolarHBondContact O-N 2.88Å
389	V	61.3	Low	59.4	Low	79 Å²	79	112.3 Å²	112.3	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-70.1	-39.4	-179.7	-177.9	0	0	0	0	111.9	G386 G387 R392 K393	G386-V389 PolarHBondContact O-N 3.25Å; G387-V389 VanDerWaalsContact C-N 3.33Å; V389-R392 PolarHBondContact O-N 3.46Å; V389-K393 PolarHBondContact O-N 2.88Å
390	A	68.4	Low	60.4	Low	67 Å²	67	109.2 Å²	109.2	55%	0.554	61%	0.606	S	S	*	*	H	α-helix	trans	-65.2	-41.4	178.9	0	0	0	0	0	112.2	R392 K393 E394	A390-R392 PolarHBondContact O-N 3.43Å; A390-K393 PolarHBondContact O-N 3.23Å; A390-E394 PolarHBondContact O-N 3.39Å
391	A	69.4	Low	61.1	Low	63 Å²	63	113.3 Å²	113.3	52%	0.521	60%	0.598	S	S	.	*	H	α-helix	trans	-63.6	-40.5	175.2	0	0	0	0	0	111.8	E394 V395	A391-E394 PolarHBondContact O-N 2.87Å; A391-V395 WeakPolarHBondContact O-CG2 3.44Å; A391-V395 PolarHBondContact O-N 3.29Å
392	R	70.7	Confident	62.1	Low	192 Å²	192	108.4 Å²	108.4	73%	0.725	58%	0.579	S	S	*	*	H	α-helix	trans	-63.4	-43.6	173.4	-97.9	179.6	173.2	172.5	-2.2	112.3	T388 V389 A390 E394 V395 I396	T388-R392 PolarHBondContact O-N 2.88Å; V389-R392 PolarHBondContact O-N 3.46Å; A390-R392 PolarHBondContact O-N 3.43Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.44Å; R392-V395 PolarHBondContact O-N 2.89Å; R392-I396 WeakPolarHBondContact O-CG1 3.32Å; R392-I396 PolarHBondContact O-N 3.41Å; R392-I396 VanDerWaalsContact O-N 3.08Å
393	K	68.9	Low	63	Low	109 Å²	109	105.4 Å²	105.4	47%	0.474	56%	0.563	S	S	.	*	H	α-helix	trans	-57.1	-42.4	175	-85.3	-171.9	173.5	-176.1	0	111.6	M377 V389 A390 I396 R397	M377-K393 PolarHBondContact SD-NZ 3.28Å; V389-K393 PolarHBondContact O-N 2.88Å; A390-K393 PolarHBondContact O-N 3.23Å; K393-I396 PolarHBondContact O-N 3.34Å; K393-R397 WeakPolarHBondContact O-CB 3.37Å; K393-R397 PolarHBondContact O-N 2.94Å
394	E	73.8	Confident	64.1	Low	68 Å²	68	100.5 Å²	100.5	32%	0.318	54%	0.538	S	S	.	.	H	α-helix	trans	-69.9	-38.5	179.3	-173.1	56.2	-152.4	0	0	113.1	A390 A391 R392 I396 R397 N398	A390-E394 PolarHBondContact O-N 3.39Å; A391-E394 PolarHBondContact O-N 2.87Å; R392-E394 VanDerWaalsContact C-N 3.29Å; R392-E394 PolarHBondContact O-N 3.44Å; E394-I396 VanDerWaalsContact C-N 3.33Å; E394-I396 PolarHBondContact O-N 2.81Å; E394-R397 PolarHBondContact O-N 2.7Å; E394-R397 IonicContact OE2-CZ 3.12Å; E394-R397 IonicContact OE2-NE 3.61Å; E394-R397 IonicContact OE2-NH1 3.21Å; E394-R397 PolarHBondContact OE2-NH1 2.89Å; E394-N398 PolarHBondContact O-N 3.16Å; E394-N398 PolarHBondContact O-ND2 2.63Å; E394-N398 PolarHBondContact OE1-ND2 3.09Å
395	V	73.9	Confident	64.9	Low	80 Å²	80	98 Å²	98	49%	0.485	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-42.1	174.4	171.4	0	0	0	0	111.3	A391 R392 N398 K399	A391-V395 WeakPolarHBondContact O-CG2 3.44Å; A391-V395 PolarHBondContact O-N 3.29Å; R392-V395 PolarHBondContact O-N 2.89Å; V395-N398 PolarHBondContact O-N 3.39Å; V395-K399 HydrophobicContact CG1-CD 4.41Å; V395-K399 WeakPolarHBondContact O-CG 3.43Å; V395-K399 PolarHBondContact O-N 3.46Å
396	I	72.2	Confident	65.7	Low	100 Å²	100	93.5 Å²	93.5	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-64.5	-45.8	176.9	-66.3	167.6	0	0	0	110.1	R392 K393 E394 N398 K399 I400	R392-I396 WeakPolarHBondContact O-CG1 3.32Å; R392-I396 PolarHBondContact O-N 3.41Å; R392-I396 VanDerWaalsContact O-N 3.08Å; K393-I396 PolarHBondContact O-N 3.34Å; E394-I396 VanDerWaalsContact C-N 3.33Å; E394-I396 PolarHBondContact O-N 2.81Å; I396-N398 VanDerWaalsContact C-N 3.34Å; I396-N398 PolarHBondContact O-N 3.48Å; I396-K399 PolarHBondContact O-N 3.33Å; I396-I400 HydrophobicContact CG2-CD1 3.91Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 2.97Å
397	R	70	Confident	66.3	Low	124 Å²	124	93.7 Å²	93.7	47%	0.468	50%	0.504	S	S	.	.	H	α-helix	trans	-59.2	-41.5	177.6	-165.7	-175.1	-66.4	151.4	-7.9	112.7	K393 E394 I400 R401	K393-R397 WeakPolarHBondContact O-CB 3.37Å; K393-R397 PolarHBondContact O-N 2.94Å; E394-R397 PolarHBondContact O-N 2.7Å; E394-R397 IonicContact OE2-CZ 3.12Å; E394-R397 IonicContact OE2-NE 3.61Å; E394-R397 IonicContact OE2-NH1 3.21Å; E394-R397 PolarHBondContact OE2-NH1 2.89Å; R397-I400 PolarHBondContact O-N 3.49Å; R397-R401 PolarHBondContact O-N 3.18Å
398	N	73.6	Confident	66.3	Low	78 Å²	78	98.8 Å²	98.8	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-69.2	-36.1	177.2	-75.9	-39.4	0	0	0	112.8	E394 V395 I396 R401 A402	E394-N398 PolarHBondContact O-N 3.16Å; E394-N398 PolarHBondContact O-ND2 2.63Å; E394-N398 PolarHBondContact OE1-ND2 3.09Å; V395-N398 PolarHBondContact O-N 3.39Å; I396-N398 VanDerWaalsContact C-N 3.34Å; I396-N398 PolarHBondContact O-N 3.48Å; N398-R401 PolarHBondContact O-N 3.19Å; N398-A402 WeakPolarHBondContact O-CB 3.46Å; N398-A402 PolarHBondContact O-N 3.21Å
399	K	71.5	Confident	66	Low	134 Å²	134	97.2 Å²	97.2	58%	0.583	49%	0.491	S	S	*	.	H	α-helix	trans	-62.9	-45.1	171.7	-73.6	178.7	178.2	-173.2	0	111.5	V395 I396 R401 A402 I403	V395-K399 HydrophobicContact CG1-CD 4.41Å; V395-K399 WeakPolarHBondContact O-CG 3.43Å; V395-K399 PolarHBondContact O-N 3.46Å; I396-K399 PolarHBondContact O-N 3.33Å; K399-R401 PolarHBondContact O-N 3.42Å; K399-A402 PolarHBondContact O-N 3.46Å; K399-I403 WeakPolarHBondContact O-CD1 3.32Å; K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 3.46Å
400	I	69	Low	66	Low	95 Å²	95	96.8 Å²	96.8	49%	0.487	48%	0.483	S	S	.	.	H	α-helix	trans	-60.3	-44.1	176.4	-66.5	168.1	0	0	0	111.1	I396 R397 I403 G404	I396-I400 HydrophobicContact CG2-CD1 3.91Å; I396-I400 WeakPolarHBondContact O-CG1 3.31Å; I396-I400 PolarHBondContact O-N 2.97Å; R397-I400 PolarHBondContact O-N 3.49Å; I400-I403 PolarHBondContact O-N 3.45Å; I400-G404 PolarHBondContact O-N 3.36Å
401	R	65	Low	65.6	Low	161 Å²	161	96.2 Å²	96.2	61%	0.608	47%	0.473	S	S	*	.	H	α-helix	trans	-63.8	-41.7	177.2	-77.4	178.7	174.7	171.1	-2.4	113.3	R397 N398 K399 I403 G404 K405	R397-R401 PolarHBondContact O-N 3.18Å; N398-R401 PolarHBondContact O-N 3.19Å; K399-R401 PolarHBondContact O-N 3.42Å; R401-I403 VanDerWaalsContact C-N 3.35Å; R401-G404 PolarHBondContact O-N 2.96Å; R401-K405 PolarHBondContact O-N 3.45Å
402	A	64.4	Low	65	Low	51 Å²	51	94.7 Å²	94.7	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-42.5	176.6	0	0	0	0	0	111.3	N398 K399 K405 M406	N398-A402 WeakPolarHBondContact O-CB 3.46Å; N398-A402 PolarHBondContact O-N 3.21Å; K399-A402 PolarHBondContact O-N 3.46Å; A402-K405 PolarHBondContact O-N 3.45Å; A402-M406 PolarHBondContact O-N 2.95Å; A402-M406 VanDerWaalsContact O-N 3.13Å
403	I	63.3	Low	64.4	Low	52 Å²	52	87.7 Å²	87.7	27%	0.267	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.5	-64.6	163.3	0	0	0	110.7	M365 K399 I400 R401 K405 M406 A407	M365-I403 HydrophobicContact CE-CG2 3.96Å; M365-I403 HydrophobicContact CG-CG2 3.84Å; M365-I403 HydrophobicContact SD-CD1 4.47Å; M365-I403 HydrophobicContact SD-CG2 3.57Å; M365-I403 VanDerWaalsContact SD-CG2 3.57Å; K399-I403 WeakPolarHBondContact O-CD1 3.32Å; K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 3.46Å; I400-I403 PolarHBondContact O-N 3.45Å; R401-I403 VanDerWaalsContact C-N 3.35Å; I403-K405 VanDerWaalsContact C-N 3.31Å; I403-K405 PolarHBondContact O-N 3.37Å; I403-M406 PolarHBondContact O-N 3.05Å; I403-M406 VanDerWaalsContact O-N 3.14Å; I403-A407 WeakPolarHBondContact O-CB 3.03Å; I403-A407 PolarHBondContact O-N 2.99Å
404	G	62.3	Low	63.8	Low	27 Å²	27	87.8 Å²	87.8	28%	0.278	43%	0.431	S	S	.	.	H	α-helix	trans	-65.7	-26.6	176.7	0	0	0	0	0	114.8	I400 R401 R408	I400-G404 PolarHBondContact O-N 3.36Å; R401-G404 PolarHBondContact O-N 2.96Å; G404-R408 PolarHBondContact O-N 2.95Å
405	K	59.9	Low	63.2	Low	154 Å²	154	90.7 Å²	90.7	67%	0.67	44%	0.444	S	S	*	.	H	α-helix	trans	-71	-45.7	168.6	-87.2	-172.9	175.9	-177.4	0	111.2	R401 A402 I403 R408 T409	R401-K405 PolarHBondContact O-N 3.45Å; A402-K405 PolarHBondContact O-N 3.45Å; I403-K405 VanDerWaalsContact C-N 3.31Å; I403-K405 PolarHBondContact O-N 3.37Å; K405-R408 PolarHBondContact O-N 2.97Å; K405-T409 PolarHBondContact O-N 2.84Å; K405-T409 PolarHBondContact O-OG1 3.2Å
406	M	57.1	Low	62.6	Low	105 Å²	105	87.5 Å²	87.5	52%	0.517	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-44.8	177.1	-74.5	-168.3	-81.3	0	0	111.6	A402 I403 R408 T409 F410	A402-M406 PolarHBondContact O-N 2.95Å; A402-M406 VanDerWaalsContact O-N 3.13Å; I403-M406 PolarHBondContact O-N 3.05Å; I403-M406 VanDerWaalsContact O-N 3.14Å; M406-R408 VanDerWaalsContact C-N 3.25Å; M406-R408 PolarHBondContact O-N 2.87Å; M406-T409 PolarHBondContact O-N 2.63Å; M406-T409 VanDerWaalsContact O-N 3.1Å; M406-F410 HydrophobicContact CB-CD2 4.2Å; M406-F410 HydrophobicContact CB-CE2 4.24Å; M406-F410 WeakPolarHBondContact O-CB 3.24Å; M406-F410 WeakPolarHBondContact O-CD2 3.48Å; M406-F410 PolarHBondContact O-N 3.01Å
407	A	58.1	Low	62	Low	47 Å²	47	85.6 Å²	85.6	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-55.7	-38.5	177.5	0	0	0	0	0	112.5	I403 F410 T411	I403-A407 WeakPolarHBondContact O-CB 3.03Å; I403-A407 PolarHBondContact O-N 2.99Å; A407-F410 PolarHBondContact O-N 3.23Å; A407-T411 WeakPolarHBondContact O-CB 3.31Å; A407-T411 PolarHBondContact O-N 3.24Å; A407-T411 PolarHBondContact O-OG1 2.87Å
408	R	56.2	Low	61.4	Low	180 Å²	180	86.8 Å²	86.8	68%	0.679	43%	0.431	S	S	*	.	H	α-helix	trans	-66.4	-46.2	174.2	-93.7	-175.9	-77.2	-164.5	-6.6	113.1	G404 K405 M406 F410 T411 V412	G404-R408 PolarHBondContact O-N 2.95Å; K405-R408 PolarHBondContact O-N 2.97Å; M406-R408 VanDerWaalsContact C-N 3.25Å; M406-R408 PolarHBondContact O-N 2.87Å; R408-F410 PolarHBondContact O-N 2.98Å; R408-T411 PolarHBondContact O-N 2.92Å; R408-V412 PolarHBondContact O-N 3.41Å
409	T	56.3	Low	60.7	Low	76 Å²	76	83.4 Å²	83.4	47%	0.466	41%	0.413	S	S	.	.	H	α-helix	trans	-59.4	-40	176	-52.9	0	0	0	0	111.3	K405 M406 L413	K405-T409 PolarHBondContact O-N 2.84Å; K405-T409 PolarHBondContact O-OG1 3.2Å; M406-T409 PolarHBondContact O-N 2.63Å; M406-T409 VanDerWaalsContact O-N 3.1Å; T409-L413 PolarHBondContact O-N 3.05Å
410	F	61.4	Low	60.2	Low	69 Å²	69	77.5 Å²	77.5	30%	0.303	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-35.7	176.9	-81.5	-60.7	0	0	0	113.5	E358 M406 A407 R408 V412 L413 R414	E358-F410 HydrophobicContact CB-CD1 3.89Å; E358-F410 HydrophobicContact CB-CE1 4.26Å; E358-F410 HydrophobicContact CB-CG 4.22Å; E358-F410 VanDerWaalsContact CD-CB 3.48Å; E358-F410 HydrophobicContact CG-CB 3.6Å; E358-F410 HydrophobicContact CG-CD1 3.74Å; E358-F410 HydrophobicContact CG-CD2 4.5Å; E358-F410 HydrophobicContact CG-CG 3.71Å; E358-F410 VanDerWaalsContact OE2-CD1 3.26Å; E358-F410 WeakPolarHBondContact OE2-CD1 3.48Å; M406-F410 HydrophobicContact CB-CD2 4.2Å; M406-F410 HydrophobicContact CB-CE2 4.24Å; M406-F410 WeakPolarHBondContact O-CB 3.24Å; M406-F410 WeakPolarHBondContact O-CD2 3.48Å; M406-F410 PolarHBondContact O-N 3.01Å; A407-F410 PolarHBondContact O-N 3.23Å; R408-F410 PolarHBondContact O-N 2.98Å; F410-V412 VanDerWaalsContact C-N 3.3Å; F410-V412 PolarHBondContact O-N 3.25Å; F410-L413 HydrophobicContact CD1-CD1 3.86Å; F410-L413 HydrophobicContact CE1-CD1 4.22Å; F410-L413 WeakPolarHBondContact O-CB 3.32Å; F410-L413 PolarHBondContact O-N 2.92Å; F410-L413 VanDerWaalsContact O-N 3.12Å; F410-R414 PolarHBondContact O-N 2.91Å
411	T	60.4	Low	59.9	Low	55 Å²	55	76.6 Å²	76.6	34%	0.337	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-42.2	174.5	-56.5	0	0	0	0	111.2	A407 R408 R414 E415	A407-T411 WeakPolarHBondContact O-CB 3.31Å; A407-T411 PolarHBondContact O-N 3.24Å; A407-T411 PolarHBondContact O-OG1 2.87Å; R408-T411 PolarHBondContact O-N 2.92Å; T411-R414 WeakPolarHBondContact O-CB 3.31Å; T411-R414 PolarHBondContact O-N 3.2Å; T411-E415 HydrophobicContact CG2-CG 4.37Å; T411-E415 WeakPolarHBondContact O-CG 3.41Å; T411-E415 PolarHBondContact O-N 3.41Å
412	V	57.5	Low	59.7	Low	32 Å²	32	72.4 Å²	72.4	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-44.4	174.3	174.8	0	0	0	0	111.1	R408 F410 R414 E415 E416 L444	R408-V412 PolarHBondContact O-N 3.41Å; F410-V412 VanDerWaalsContact C-N 3.3Å; F410-V412 PolarHBondContact O-N 3.25Å; V412-R414 PolarHBondContact O-N 2.8Å; V412-E415 PolarHBondContact O-N 3.38Å; V412-E416 WeakPolarHBondContact O-CB 3.35Å; V412-E416 PolarHBondContact O-N 2.98Å; V412-E416 VanDerWaalsContact O-N 3.09Å; V412-L444 HydrophobicContact CG1-CD1 4.04Å
413	L	58.8	Low	59.6	Low	45 Å²	45	70.6 Å²	70.6	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-32.7	175.7	-80.8	166.6	0	0	0	112.6	T409 F410 S417 V420 L437	T409-L413 PolarHBondContact O-N 3.05Å; F410-L413 HydrophobicContact CD1-CD1 3.86Å; F410-L413 HydrophobicContact CE1-CD1 4.22Å; F410-L413 WeakPolarHBondContact O-CB 3.32Å; F410-L413 PolarHBondContact O-N 2.92Å; F410-L413 VanDerWaalsContact O-N 3.12Å; L413-S417 WeakPolarHBondContact O-CA 3.42Å; L413-S417 VanDerWaalsContact O-CB 3.3Å; L413-S417 WeakPolarHBondContact O-CB 3.12Å; L413-S417 PolarHBondContact O-N 2.96Å; L413-S417 VanDerWaalsContact O-N 3.16Å; L413-V420 HydrophobicContact CD2-CG2 4.41Å; L413-L437 HydrophobicContact CD2-CD1 3.69Å; L413-L437 HydrophobicContact CD2-CD2 3.45Å; L413-L437 VanDerWaalsContact CD2-CD2 3.45Å; L413-L437 HydrophobicContact CD2-CG 4.21Å; L413-L437 HydrophobicContact CG-CD1 4.28Å; L413-L437 HydrophobicContact CG-CD2 4.08Å
414	R	55.2	Low	59.6	Low	111 Å²	111	71.5 Å²	71.5	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-78.8	-48.8	-179.9	-170.8	-171.6	84.4	128.7	-3.7	112.9	K359 F410 T411 V412 E416 S417	K359-R414 VanDerWaalsContact CE-CD 3.43Å; F410-R414 PolarHBondContact O-N 2.91Å; T411-R414 WeakPolarHBondContact O-CB 3.31Å; T411-R414 PolarHBondContact O-N 3.2Å; V412-R414 PolarHBondContact O-N 2.8Å; R414-E416 PolarHBondContact O-N 3.27Å; R414-S417 PolarHBondContact O-N 2.96Å; R414-S417 PolarHBondContact O-OG 3.41Å
415	E	62	Low	59.5	Low	128 Å²	128	72.9 Å²	72.9	60%	0.598	37%	0.368	S	S	*	.	H	α-helix	trans	-66.5	-29.4	-178.1	-71.8	-178.9	172.9	0	0	111.6	T411 V412	T411-E415 HydrophobicContact CG2-CG 4.37Å; T411-E415 WeakPolarHBondContact O-CG 3.41Å; T411-E415 PolarHBondContact O-N 3.41Å; V412-E415 PolarHBondContact O-N 3.38Å
416	E	60.6	Low	59.5	Low	13 Å²	13	67.6 Å²	67.6	6%	0.061	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.8	-178.3	-52.2	-69	153.7	0	0	110.9	V412 R414 E418 S419 V420 K441 L444	V412-E416 WeakPolarHBondContact O-CB 3.35Å; V412-E416 PolarHBondContact O-N 2.98Å; V412-E416 VanDerWaalsContact O-N 3.09Å; R414-E416 PolarHBondContact O-N 3.27Å; E416-E418 VanDerWaalsContact C-N 3.29Å; E416-E418 PolarHBondContact O-N 3.49Å; E416-S419 CarbonylContact O-C 3.57Å; E416-S419 PolarHBondContact O-N 2.9Å; E416-S419 VanDerWaalsContact O-N 3.17Å; E416-V420 WeakPolarHBondContact O-CB 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.43Å; E416-V420 PolarHBondContact O-N 3.47Å; E416-K441 WeakPolarHBondContact OE1-CD 3.4Å; E416-K441 WeakPolarHBondContact OE1-CG 3.34Å; E416-K441 IonicContact OE1-NZ 3.57Å; E416-L444 HydrophobicContact CB-CD1 3.53Å; E416-L444 HydrophobicContact CG-CD1 3.79Å
417	S	59.2	Low	59.3	Low	61 Å²	61	63.7 Å²	63.7	43%	0.427	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-37.1	-175.6	65	0	0	0	0	112.7	L413 R414 F421	L413-S417 WeakPolarHBondContact O-CA 3.42Å; L413-S417 VanDerWaalsContact O-CB 3.3Å; L413-S417 WeakPolarHBondContact O-CB 3.12Å; L413-S417 PolarHBondContact O-N 2.96Å; L413-S417 VanDerWaalsContact O-N 3.16Å; R414-S417 PolarHBondContact O-N 2.96Å; R414-S417 PolarHBondContact O-OG 3.41Å; S417-F421 VanDerWaalsContact O-CB 3.26Å; S417-F421 WeakPolarHBondContact O-CB 3.26Å; S417-F421 PolarHBondContact O-N 3.11Å
418	E	57.9	Low	59.1	Low	149 Å²	149	62.6 Å²	62.6	70%	0.696	32%	0.317	S	S	*	.	H	α-helix	trans	-65.8	-47.1	174.2	-67.9	-176.5	166.2	0	0	110.6	E416 V420 F421 E422	E416-E418 VanDerWaalsContact C-N 3.29Å; E416-E418 PolarHBondContact O-N 3.49Å; E418-V420 PolarHBondContact O-N 3.28Å; E418-F421 CarbonylContact O-C 3.57Å; E418-F421 WeakPolarHBondContact O-CA 3.23Å; E418-F421 WeakPolarHBondContact O-CB 3.42Å; E418-F421 PolarHBondContact O-N 3.13Å; E418-E422 PolarHBondContact O-N 3.07Å
419	S	59.1	Low	59.1	Low	6 Å²	6	57.5 Å²	57.5	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-37	177.9	-65.1	0	0	0	0	113.1	E416 F421 L423	E416-S419 CarbonylContact O-C 3.57Å; E416-S419 PolarHBondContact O-N 2.9Å; E416-S419 VanDerWaalsContact O-N 3.17Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-L423 WeakPolarHBondContact O-CB 3.41Å; S419-L423 PolarHBondContact O-N 3.2Å
420	V	61.1	Low	59.2	Low	11 Å²	11	54.7 Å²	54.7	7%	0.067	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-39.8	170.4	159.9	0	0	0	0	110.7	L413 E416 E418 K424 L432 L437 L444	L413-V420 HydrophobicContact CD2-CG2 4.41Å; E416-V420 WeakPolarHBondContact O-CB 3.32Å; E416-V420 WeakPolarHBondContact O-CG2 3.43Å; E416-V420 PolarHBondContact O-N 3.47Å; E418-V420 PolarHBondContact O-N 3.28Å; V420-K424 HydrophobicContact CG1-CD 4.31Å; V420-K424 WeakPolarHBondContact O-CB 3.45Å; V420-K424 VanDerWaalsContact O-CG 3.26Å; V420-K424 WeakPolarHBondContact O-CG 3.3Å; V420-K424 PolarHBondContact O-N 3.05Å; V420-L432 HydrophobicContact CB-CD2 4.42Å; V420-L432 HydrophobicContact CG1-CD1 3.74Å; V420-L432 HydrophobicContact CG1-CD2 4.08Å; V420-L432 HydrophobicContact CG1-CG 4.24Å; V420-L432 HydrophobicContact CG2-CD1 4.18Å; V420-L432 HydrophobicContact CG2-CD2 4.34Å; V420-L437 HydrophobicContact CG2-CD2 4.04Å; V420-L444 HydrophobicContact CG2-CD1 4.22Å; V420-L444 HydrophobicContact CG2-CD2 4.06Å
421	F	62.5	Low	58.9	Low	76 Å²	76	57.4 Å²	57.4	33%	0.333	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-45.2	178.8	-174.6	-93	0	0	0	111.7	Y340 P343 S417 E418 S419 K424 G425	Y340-F421 WeakPolarHBondContact OH-CZ 3.37Å; P343-F421 HydrophobicContact CG-CE2 4.07Å; P343-F421 HydrophobicContact CG-CZ 4.19Å; S417-F421 VanDerWaalsContact O-CB 3.26Å; S417-F421 WeakPolarHBondContact O-CB 3.26Å; S417-F421 PolarHBondContact O-N 3.11Å; E418-F421 CarbonylContact O-C 3.57Å; E418-F421 WeakPolarHBondContact O-CA 3.23Å; E418-F421 WeakPolarHBondContact O-CB 3.42Å; E418-F421 PolarHBondContact O-N 3.13Å; S419-F421 VanDerWaalsContact C-N 3.33Å; F421-K424 PolarHBondContact O-N 3.42Å; F421-G425 PolarHBondContact O-N 3.21Å
422	E	60.8	Low	58.6	Low	72 Å²	72	56.4 Å²	56.4	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-48	172.9	-74.4	-179.2	169.3	0	0	111.1	E418 K424 G425 L426	E418-E422 PolarHBondContact O-N 3.07Å; E422-K424 VanDerWaalsContact C-N 3.3Å; E422-K424 PolarHBondContact O-N 3.22Å; E422-G425 PolarHBondContact O-N 2.87Å; E422-G425 VanDerWaalsContact O-N 3.16Å; E422-L426 WeakPolarHBondContact O-CG 3.38Å; E422-L426 PolarHBondContact O-N 3.04Å
423	L	61.5	Low	58.4	Low	14 Å²	14	57.9 Å²	57.9	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-45	173.8	-105.4	150.3	0	0	0	111.7	S419 G425 L426 T427 L432 P433 L444 A447 L448	S419-L423 WeakPolarHBondContact O-CB 3.41Å; S419-L423 PolarHBondContact O-N 3.2Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 3.27Å; L423-L426 PolarHBondContact O-N 2.75Å; L423-T427 WeakPolarHBondContact O-CB 3.38Å; L423-T427 WeakPolarHBondContact O-CG2 3.24Å; L423-T427 PolarHBondContact O-N 3.48Å; L423-T427 PolarHBondContact O-OG1 3.01Å; L423-L432 HydrophobicContact CB-CD2 3.83Å; L423-L432 HydrophobicContact CD1-CD2 4.34Å; L423-P433 HydrophobicContact CD2-CG 4.45Å; L423-L444 HydrophobicContact CD1-CD2 3.72Å; L423-A447 HydrophobicContact CD1-CB 4.26Å; L423-A447 HydrophobicContact CD2-CB 4.16Å; L423-L448 HydrophobicContact CD1-CD1 3.86Å; L423-L448 HydrophobicContact CD1-CD2 3.67Å; L423-L448 HydrophobicContact CD1-CG 3.53Å; L423-L448 HydrophobicContact CG-CD2 3.69Å; L423-L448 HydrophobicContact CG-CG 4.09Å
424	K	63.5	Low	58	Low	71 Å²	71	64.8 Å²	64.8	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-38.8	178.3	-78.6	-176.1	174.1	-175.2	0	112.1	V420 F421 E422 L426 T427 G430 L432	V420-K424 HydrophobicContact CG1-CD 4.31Å; V420-K424 WeakPolarHBondContact O-CB 3.45Å; V420-K424 VanDerWaalsContact O-CG 3.26Å; V420-K424 WeakPolarHBondContact O-CG 3.3Å; V420-K424 PolarHBondContact O-N 3.05Å; F421-K424 PolarHBondContact O-N 3.42Å; E422-K424 VanDerWaalsContact C-N 3.3Å; E422-K424 PolarHBondContact O-N 3.22Å; K424-L426 VanDerWaalsContact C-N 3.3Å; K424-T427 VanDerWaalsContact CA-OG1 3.3Å; K424-T427 WeakPolarHBondContact CA-OG1 3.42Å; K424-T427 PolarHBondContact O-N 2.95Å; K424-T427 PolarHBondContact O-OG1 3.24Å; K424-G430 WeakPolarHBondContact CG-O 3.25Å; K424-G430 WeakPolarHBondContact O-CA 3.24Å; K424-L432 HydrophobicContact CG-CD2 4.25Å; K424-L432 HydrophobicContact CG-CG 4.13Å
425	G	61.1	Low	57.7	Low	55 Å²	55	61.2 Å²	61.2	57%	0.567	34%	0.342	S	S	*	.	H	α-helix	trans	-65.7	-32.4	175.4	0	0	0	0	0	113.1	F421 E422 L423	F421-G425 PolarHBondContact O-N 3.21Å; E422-G425 PolarHBondContact O-N 2.87Å; E422-G425 VanDerWaalsContact O-N 3.16Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-G425 PolarHBondContact O-N 3.27Å
426	L	58.5	Low	57.5	Low	44 Å²	44	55.4 Å²	55.4	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-84.5	-20.7	176.7	-65	172.8	0	0	0	113.3	E422 L423 K424 N470	E422-L426 WeakPolarHBondContact O-CG 3.38Å; E422-L426 PolarHBondContact O-N 3.04Å; L423-L426 PolarHBondContact O-N 2.75Å; K424-L426 VanDerWaalsContact C-N 3.3Å; L426-N470 PolarHBondContact O-ND2 3.18Å
427	T	54	Low	57.4	Low	23 Å²	23	57.2 Å²	57.2	14%	0.141	33%	0.325	C	S	.	.	S	Bend	trans	-80.9	130.4	177.5	55.1	0	0	0	0	111.2	L423 K424 N429 G430 M431	L423-T427 WeakPolarHBondContact O-CB 3.38Å; L423-T427 WeakPolarHBondContact O-CG2 3.24Å; L423-T427 PolarHBondContact O-N 3.48Å; L423-T427 PolarHBondContact O-OG1 3.01Å; K424-T427 VanDerWaalsContact CA-OG1 3.3Å; K424-T427 WeakPolarHBondContact CA-OG1 3.42Å; K424-T427 PolarHBondContact O-N 2.95Å; K424-T427 PolarHBondContact O-OG1 3.24Å; T427-N429 PolarHBondContact O-N 2.99Å; T427-G430 PolarHBondContact O-N 2.88Å; T427-G430 WeakPolarHBondContact OG1-CA 3.36Å; T427-M431 WeakPolarHBondContact CB-O 3.26Å; T427-M431 WeakPolarHBondContact CG2-O 3.43Å; T427-M431 PolarHBondContact OG1-N 2.9Å; T427-M431 PolarHBondContact OG1-O 2.99Å
428	P	52.8	Low	57.3	Low	23 Å²	23	59.3 Å²	59.3	15%	0.149	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.7	-172.3	17.2	-26.5	0	0	0	114.4	Y158 F159 N470	Y158-P428 HydrophobicContact CD1-CB 4.14Å; Y158-P428 HydrophobicContact CE1-CB 3.42Å; Y158-P428 VanDerWaalsContact CE1-CB 3.42Å; Y158-P428 HydrophobicContact CE1-CG 3.54Å; Y158-P428 WeakPolarHBondContact OH-CG 3.18Å; F159-P428 HydrophobicContact CD1-CB 3.86Å; F159-P428 HydrophobicContact CE1-CB 3.69Å; P428-N470 WeakPolarHBondContact CB-OD1 3.15Å; P428-N470 WeakPolarHBondContact CD-OD1 3.38Å; P428-N470 WeakPolarHBondContact CG-OD1 3.49Å
429	N	57.1	Low	57.3	Low	74 Å²	74	54.3 Å²	54.3	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	4.3	178.4	60.4	0.3	0	0	0	113.7	T427 M431	T427-N429 PolarHBondContact O-N 2.99Å; N429-M431 HydrophobicContact CB-CG 4.41Å; N429-M431 PolarHBondContact O-N 3.04Å; N429-M431 VanDerWaalsContact O-N 3.15Å; N429-M431 WeakPolarHBondContact OD1-CB 3.39Å; N429-M431 PolarHBondContact OD1-N 3.39Å; N429-M431 PolarHBondContact OD1-O 3.36Å
430	G	58.5	Low	57.4	Low	17 Å²	17	54.8 Å²	54.8	18%	0.175	33%	0.334	C	S	.	.	S	Bend	trans	64.7	12.1	-173.5	0	0	0	0	0	114.6	K424 T427	K424-G430 WeakPolarHBondContact CG-O 3.25Å; K424-G430 WeakPolarHBondContact O-CA 3.24Å; T427-G430 PolarHBondContact O-N 2.88Å; T427-G430 WeakPolarHBondContact OG1-CA 3.36Å
431	M	54.1	Low	57.5	Low	126 Å²	126	60 Å²	60	62%	0.621	36%	0.355	S	S	*	.			trans	-105.5	136.4	-178.7	-59.9	-174.4	69.8	0	0	111.1	T427 N429	T427-M431 WeakPolarHBondContact CB-O 3.26Å; T427-M431 WeakPolarHBondContact CG2-O 3.43Å; T427-M431 PolarHBondContact OG1-N 2.9Å; T427-M431 PolarHBondContact OG1-O 2.99Å; N429-M431 HydrophobicContact CB-CG 4.41Å; N429-M431 PolarHBondContact O-N 3.04Å; N429-M431 VanDerWaalsContact O-N 3.15Å; N429-M431 WeakPolarHBondContact OD1-CB 3.39Å; N429-M431 PolarHBondContact OD1-N 3.39Å; N429-M431 PolarHBondContact OD1-O 3.36Å
432	L	55.2	Low	57.6	Low	33 Å²	33	64 Å²	64	17%	0.173	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-64.6	141.3	172.3	-69.6	167.1	0	0	0	110.8	V420 L423 K424 L434 L437	V420-L432 HydrophobicContact CB-CD2 4.42Å; V420-L432 HydrophobicContact CG1-CD1 3.74Å; V420-L432 HydrophobicContact CG1-CD2 4.08Å; V420-L432 HydrophobicContact CG1-CG 4.24Å; V420-L432 HydrophobicContact CG2-CD1 4.18Å; V420-L432 HydrophobicContact CG2-CD2 4.34Å; L423-L432 HydrophobicContact CB-CD2 3.83Å; L423-L432 HydrophobicContact CD1-CD2 4.34Å; K424-L432 HydrophobicContact CG-CD2 4.25Å; K424-L432 HydrophobicContact CG-CG 4.13Å; L432-L434 PolarHBondContact O-N 3.5Å; L432-L437 HydrophobicContact CD1-CD1 3.8Å; L432-L437 HydrophobicContact CD1-CD2 3.84Å; L432-L437 HydrophobicContact CD1-CG 3.85Å
433	P	52.6	Low	57.7	Low	64 Å²	64	62 Å²	62	42%	0.416	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-53.8	139.7	172.5	-22.2	30.4	0	0	0	111.5	L423 G435 A436	L423-P433 HydrophobicContact CD2-CG 4.45Å; P433-G435 PolarHBondContact O-N 3.3Å; P433-A436 HydrophobicContact CB-CB 4.23Å; P433-A436 HydrophobicContact CG-CB 4.45Å; P433-A436 WeakPolarHBondContact O-CB 3.17Å; P433-A436 PolarHBondContact O-N 3.2Å
434	L	49.8	Very low	57.8	Low	190 Å²	190	61.3 Å²	61.3	100%	0.995	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	124.3	179.4	-145.4	89.9	0	0	0	109.5	L432	L432-L434 PolarHBondContact O-N 3.5Å
435	G	50.2	Low	57.7	Low	36 Å²	36	60.5 Å²	60.5	37%	0.371	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-10.2	-176.8	0	0	0	0	0	115.4	P433 L437 S438 S443	P433-G435 PolarHBondContact O-N 3.3Å; G435-L437 PolarHBondContact O-N 3.06Å; G435-L437 VanDerWaalsContact O-N 3.12Å; G435-S438 VanDerWaalsContact CA-OG 3.32Å; G435-S438 WeakPolarHBondContact CA-OG 3.31Å; G435-S438 WeakPolarHBondContact O-CB 3.31Å; G435-S438 PolarHBondContact O-N 3.31Å; G435-S438 PolarHBondContact O-OG 3.32Å; G435-S443 PolarHBondContact O-OG 3.19Å
436	A	58.5	Low	57.8	Low	5 Å²	5	65.6 Å²	65.6	4%	0.041	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.2	178.5	0	0	0	0	0	112.7	P433 S443 L444	P433-A436 HydrophobicContact CB-CB 4.23Å; P433-A436 HydrophobicContact CG-CB 4.45Å; P433-A436 WeakPolarHBondContact O-CB 3.17Å; P433-A436 PolarHBondContact O-N 3.2Å; A436-S443 VanDerWaalsContact C-OG 3.22Å; A436-S443 WeakPolarHBondContact CA-OG 2.97Å; A436-S443 WeakPolarHBondContact O-CB 3.36Å; A436-S443 PolarHBondContact O-OG 3.08Å; A436-L444 HydrophobicContact CB-CD2 4.44Å
437	L	57.3	Low	57.8	Low	51 Å²	51	66 Å²	66	27%	0.267	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-22	176.2	-61.8	172.6	0	0	0	113.8	L413 V420 L432 G435 G440 L444	L413-L437 HydrophobicContact CD2-CD1 3.69Å; L413-L437 HydrophobicContact CD2-CD2 3.45Å; L413-L437 VanDerWaalsContact CD2-CD2 3.45Å; L413-L437 HydrophobicContact CD2-CG 4.21Å; L413-L437 HydrophobicContact CG-CD1 4.28Å; L413-L437 HydrophobicContact CG-CD2 4.08Å; V420-L437 HydrophobicContact CG2-CD2 4.04Å; L432-L437 HydrophobicContact CD1-CD1 3.8Å; L432-L437 HydrophobicContact CD1-CD2 3.84Å; L432-L437 HydrophobicContact CD1-CG 3.85Å; G435-L437 PolarHBondContact O-N 3.06Å; G435-L437 VanDerWaalsContact O-N 3.12Å; L437-G440 PolarHBondContact O-N 3.46Å; L437-L444 HydrophobicContact CD2-CD1 4.41Å
438	S	56.7	Low	57.9	Low	106 Å²	106	65 Å²	65	74%	0.741	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30	-170	68.3	0	0	0	0	113.5	G435 G440	G435-S438 VanDerWaalsContact CA-OG 3.32Å; G435-S438 WeakPolarHBondContact CA-OG 3.31Å; G435-S438 WeakPolarHBondContact O-CB 3.31Å; G435-S438 PolarHBondContact O-N 3.31Å; G435-S438 PolarHBondContact O-OG 3.32Å; S438-G440 VanDerWaalsContact C-N 3.33Å
439	G	58.2	Low	57.8	Low	43 Å²	43	68.4 Å²	68.4	44%	0.443	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	15.5	175.7	0	0	0	0	0	114.2	S443	G439-S443 VanDerWaalsContact C-CB 3.46Å; G439-S443 PolarHBondContact O-N 3.45Å
440	G	61.8	Low	57.5	Low	16 Å²	16	67.3 Å²	67.3	17%	0.165	41%	0.405	C	S	.	.	H	α-helix	trans	62.5	-153.3	179.1	0	0	0	0	0	113.7	L437 S438 E442 S443 L444	L437-G440 PolarHBondContact O-N 3.46Å; S438-G440 VanDerWaalsContact C-N 3.33Å; G440-E442 VanDerWaalsContact C-N 3.26Å; G440-E442 PolarHBondContact O-N 3.02Å; G440-S443 WeakPolarHBondContact O-CB 3.4Å; G440-S443 PolarHBondContact O-N 2.97Å; G440-S443 VanDerWaalsContact O-N 3.14Å; G440-L444 PolarHBondContact O-N 2.94Å
441	K	62.9	Low	56.9	Low	120 Å²	120	67.2 Å²	67.2	52%	0.522	40%	0.401	S	S	.	.	H	α-helix	trans	-54.4	-36.8	178.5	179.8	170.3	-170.8	149.9	0	113.7	E416 N445	E416-K441 WeakPolarHBondContact OE1-CD 3.4Å; E416-K441 WeakPolarHBondContact OE1-CG 3.34Å; E416-K441 IonicContact OE1-NZ 3.57Å; K441-N445 WeakPolarHBondContact O-CB 3.41Å; K441-N445 PolarHBondContact O-N 3.48Å; K441-N445 PolarHBondContact O-ND2 2.86Å
442	E	65	Low	56.1	Low	162 Å²	162	64.4 Å²	64.4	76%	0.757	39%	0.394	S	S	*	.	H	α-helix	trans	-67.9	-38.9	179.5	-68.6	-178	177	0	0	112.1	G440 K446	G440-E442 VanDerWaalsContact C-N 3.26Å; G440-E442 PolarHBondContact O-N 3.02Å; E442-K446 WeakPolarHBondContact O-CB 3.39Å; E442-K446 PolarHBondContact O-N 3.46Å
443	S	63.2	Low	55.6	Low	28 Å²	28	65.5 Å²	65.5	20%	0.196	40%	0.403	C	S	.	.	H	α-helix	trans	-67.9	-44.4	175.2	160.7	0	0	0	0	112	G435 A436 G439 G440 K446 A447	G435-S443 PolarHBondContact O-OG 3.19Å; A436-S443 VanDerWaalsContact C-OG 3.22Å; A436-S443 WeakPolarHBondContact CA-OG 2.97Å; A436-S443 WeakPolarHBondContact O-CB 3.36Å; A436-S443 PolarHBondContact O-OG 3.08Å; G439-S443 VanDerWaalsContact C-CB 3.46Å; G439-S443 PolarHBondContact O-N 3.45Å; G440-S443 WeakPolarHBondContact O-CB 3.4Å; G440-S443 PolarHBondContact O-N 2.97Å; G440-S443 VanDerWaalsContact O-N 3.14Å; S443-K446 WeakPolarHBondContact O-CB 3.4Å; S443-K446 PolarHBondContact O-N 3.34Å; S443-K446 VanDerWaalsContact O-N 3.16Å; S443-A447 PolarHBondContact O-N 2.85Å
444	L	62.5	Low	55.2	Low	0 Å²	0	73.7 Å²	73.7	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-49.2	172.9	-78.1	167.9	0	0	0	110.4	V412 E416 V420 L423 A436 L437 G440 K446 A447 L448	V412-L444 HydrophobicContact CG1-CD1 4.04Å; E416-L444 HydrophobicContact CB-CD1 3.53Å; E416-L444 HydrophobicContact CG-CD1 3.79Å; V420-L444 HydrophobicContact CG2-CD1 4.22Å; V420-L444 HydrophobicContact CG2-CD2 4.06Å; L423-L444 HydrophobicContact CD1-CD2 3.72Å; A436-L444 HydrophobicContact CB-CD2 4.44Å; L437-L444 HydrophobicContact CD2-CD1 4.41Å; G440-L444 PolarHBondContact O-N 2.94Å; L444-K446 PolarHBondContact O-N 3.47Å; L444-A447 CarbonylContact O-C 3.19Å; L444-A447 PolarHBondContact O-N 3.19Å; L444-A447 VanDerWaalsContact O-N 3.12Å; L444-L448 HydrophobicContact CB-CD1 4.31Å; L444-L448 WeakPolarHBondContact O-CA 3.35Å; L444-L448 WeakPolarHBondContact O-CB 3.26Å; L444-L448 WeakPolarHBondContact O-CD1 3.4Å; L444-L448 WeakPolarHBondContact O-CG 3.38Å; L444-L448 PolarHBondContact O-N 3.07Å
445	N	62.4	Low	55.2	Low	55 Å²	55	68.6 Å²	68.6	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-24	174	-78	-17.2	0	0	0	113.4	K441 L448 S449	K441-N445 WeakPolarHBondContact O-CB 3.41Å; K441-N445 PolarHBondContact O-N 3.48Å; K441-N445 PolarHBondContact O-ND2 2.86Å; N445-L448 CarbonylContact O-C 3.52Å; N445-S449 WeakPolarHBondContact O-CA 3.38Å; N445-S449 WeakPolarHBondContact O-CB 3.4Å; N445-S449 PolarHBondContact O-N 2.82Å
446	K	63	Low	55.6	Low	162 Å²	162	75.5 Å²	75.5	70%	0.704	42%	0.419	S	S	*	.	H	α-helix	trans	-78.8	-43.8	172.5	-120.4	178.4	178.8	177.7	0	111.7	E442 S443 L444 L448 S449	E442-K446 WeakPolarHBondContact O-CB 3.39Å; E442-K446 PolarHBondContact O-N 3.46Å; S443-K446 WeakPolarHBondContact O-CB 3.4Å; S443-K446 PolarHBondContact O-N 3.34Å; S443-K446 VanDerWaalsContact O-N 3.16Å; L444-K446 PolarHBondContact O-N 3.47Å; K446-L448 PolarHBondContact O-N 3.43Å; K446-S449 WeakPolarHBondContact CA-OG 3.26Å; K446-S449 WeakPolarHBondContact O-CB 3.42Å; K446-S449 PolarHBondContact O-N 3.29Å; K446-S449 PolarHBondContact O-OG 3.31Å
447	A	58	Low	55.8	Low	51 Å²	51	77.5 Å²	77.5	42%	0.421	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-31	171.1	0	0	0	0	0	111.2	L423 S443 L444	L423-A447 HydrophobicContact CD1-CB 4.26Å; L423-A447 HydrophobicContact CD2-CB 4.16Å; S443-A447 PolarHBondContact O-N 2.85Å; L444-A447 CarbonylContact O-C 3.19Å; L444-A447 PolarHBondContact O-N 3.19Å; L444-A447 VanDerWaalsContact O-N 3.12Å
448	L	56.7	Low	56.6	Low	4 Å²	4	81.9 Å²	81.9	2%	0.021	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	18.1	172.9	-64.2	162.7	0	0	0	111.2	L423 L444 N445 K446 G450 V451	L423-L448 HydrophobicContact CD1-CD1 3.86Å; L423-L448 HydrophobicContact CD1-CD2 3.67Å; L423-L448 HydrophobicContact CD1-CG 3.53Å; L423-L448 HydrophobicContact CG-CD2 3.69Å; L423-L448 HydrophobicContact CG-CG 4.09Å; L444-L448 HydrophobicContact CB-CD1 4.31Å; L444-L448 WeakPolarHBondContact O-CA 3.35Å; L444-L448 WeakPolarHBondContact O-CB 3.26Å; L444-L448 WeakPolarHBondContact O-CD1 3.4Å; L444-L448 WeakPolarHBondContact O-CG 3.38Å; L444-L448 PolarHBondContact O-N 3.07Å; N445-L448 CarbonylContact O-C 3.52Å; K446-L448 PolarHBondContact O-N 3.43Å; L448-G450 CarbonylContact O-C 3.51Å; L448-G450 PolarHBondContact O-N 2.56Å; L448-V451 HydrophobicContact CB-CB 3.81Å; L448-V451 HydrophobicContact CB-CG2 4.48Å; L448-V451 WeakPolarHBondContact CB-O 3.36Å; L448-V451 HydrophobicContact CD2-CB 3.51Å; L448-V451 HydrophobicContact CD2-CG1 3.63Å; L448-V451 HydrophobicContact CD2-CG2 3.91Å; L448-V451 HydrophobicContact CG-CB 4.26Å; L448-V451 CarbonylContact O-C 3.55Å; L448-V451 VanDerWaalsContact O-CA 3.24Å; L448-V451 WeakPolarHBondContact O-CA 3.38Å; L448-V451 PolarHBondContact O-N 3.29Å; L448-V451 VanDerWaalsContact O-O 3.05Å
449	S	50.3	Low	58	Low	94 Å²	94	79 Å²	79	66%	0.657	43%	0.43	S	S	*	.	S	Bend	trans	-75.9	15.4	-174.3	52.8	0	0	0	0	114	N445 K446	N445-S449 WeakPolarHBondContact O-CA 3.38Å; N445-S449 WeakPolarHBondContact O-CB 3.4Å; N445-S449 PolarHBondContact O-N 2.82Å; K446-S449 WeakPolarHBondContact CA-OG 3.26Å; K446-S449 WeakPolarHBondContact O-CB 3.42Å; K446-S449 PolarHBondContact O-N 3.29Å; K446-S449 PolarHBondContact O-OG 3.31Å
450	G	50.1	Low	59.6	Low	51 Å²	51	78 Å²	78	53%	0.526	41%	0.414	S	S	.	.	S	Bend	trans	-107.9	-27	148	0	0	0	0	0	114	L448 S452 Y466	L448-G450 CarbonylContact O-C 3.51Å; L448-G450 PolarHBondContact O-N 2.56Å; G450-S452 PolarHBondContact O-N 3.28Å; G450-Y466 PolarHBondContact O-OH 3.48Å
451	V	46.9	Very low	60.9	Low	14 Å²	14	83.1 Å²	83.1	9%	0.085	43%	0.434	C	S	.	.			trans	-91.2	83.6	-175.3	-166.5	0	0	0	0	111.4	L448 P453 Y466	L448-V451 HydrophobicContact CB-CB 3.81Å; L448-V451 HydrophobicContact CB-CG2 4.48Å; L448-V451 WeakPolarHBondContact CB-O 3.36Å; L448-V451 HydrophobicContact CD2-CB 3.51Å; L448-V451 HydrophobicContact CD2-CG1 3.63Å; L448-V451 HydrophobicContact CD2-CG2 3.91Å; L448-V451 HydrophobicContact CG-CB 4.26Å; L448-V451 CarbonylContact O-C 3.55Å; L448-V451 VanDerWaalsContact O-CA 3.24Å; L448-V451 WeakPolarHBondContact O-CA 3.38Å; L448-V451 PolarHBondContact O-N 3.29Å; L448-V451 VanDerWaalsContact O-O 3.05Å; V451-P453 WeakPolarHBondContact O-CD 3.22Å; V451-Y466 WeakPolarHBondContact CA-OH 3.33Å; V451-Y466 HydrophobicContact CG2-CD1 3.94Å; V451-Y466 HydrophobicContact CG2-CE1 3.45Å; V451-Y466 VanDerWaalsContact CG2-CE1 3.45Å; V451-Y466 HydrophobicContact CG2-CE2 4.3Å; V451-Y466 PolarHBondContact N-OH 2.87Å
452	S	37.4	Very low	62.1	Low	68 Å²	68	79.1 Å²	79.1	48%	0.476	42%	0.417	S	S	.	.			trans	-59.7	129.5	163	-99.9	0	0	0	0	109.6	G450 R454 N455	G450-S452 PolarHBondContact O-N 3.28Å; S452-R454 PolarHBondContact O-N 2.89Å; S452-N455 PolarHBondContact O-N 3.25Å
453	P	45.2	Very low	63.1	Low	55 Å²	55	71.5 Å²	71.5	36%	0.357	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	7.4	-177.3	-22.8	32.2	0	0	0	116.2	V451	V451-P453 WeakPolarHBondContact O-CD 3.22Å
454	R	42.8	Very low	64.4	Low	237 Å²	237	74.5 Å²	74.5	89%	0.894	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-1.8	176.9	-79	-174.2	176	153.2	0.1	113.8	S452 K456	S452-R454 PolarHBondContact O-N 2.89Å; R454-K456 PolarHBondContact O-N 3.48Å
455	N	49.4	Very low	65.6	Low	83 Å²	83	77.4 Å²	77.4	44%	0.444	42%	0.415	S	S	.	.			trans	-99.6	88.9	177.5	-73.3	-1.2	0	0	0	107.9	S452 I457	S452-N455 PolarHBondContact O-N 3.25Å; N455-I457 PolarHBondContact O-N 3.05Å
456	K	58.7	Low	66.6	Low	181 Å²	181	77.1 Å²	77.1	79%	0.787	41%	0.41	S	S	*	.			trans	-40.9	131.9	153.2	-74.8	-175.6	176.2	-174.8	0	106.9	R454 I458	R454-K456 PolarHBondContact O-N 3.48Å; K456-I458 WeakPolarHBondContact O-CG2 3.28Å; K456-I458 PolarHBondContact O-N 3.37Å
457	I	63.6	Low	67.8	Low	47 Å²	47	69.5 Å²	69.5	24%	0.241	38%	0.377	C	S	.	.			trans	-51.1	113.3	176.1	-67.1	168.1	0	0	0	107.2	V313 N455 S459 Q462 A463 Y466	V313-I457 HydrophobicContact CB-CD1 3.75Å; V313-I457 HydrophobicContact CG1-CD1 4.05Å; V313-I457 HydrophobicContact CG2-CD1 3.96Å; N455-I457 PolarHBondContact O-N 3.05Å; I457-S459 WeakPolarHBondContact CG2-O 3.34Å; I457-Q462 HydrophobicContact CG2-CB 4.3Å; I457-A463 HydrophobicContact CG2-CB 3.77Å; I457-Y466 HydrophobicContact CD1-CD2 4.08Å; I457-Y466 HydrophobicContact CD1-CE2 4.48Å; I457-Y466 HydrophobicContact CG1-CD2 4.14Å; I457-Y466 HydrophobicContact CG1-CE2 4.07Å
458	I	73.5	Confident	69.4	Low	142 Å²	142	72 Å²	72	73%	0.728	38%	0.38	S	S	*	.			trans	-96.8	-13.6	-169.7	53	169.7	0	0	0	112.4	K456	K456-I458 WeakPolarHBondContact O-CG2 3.28Å; K456-I458 PolarHBondContact O-N 3.37Å
459	S	86.3	Confident	70.9	Confident	46 Å²	46	77 Å²	77	32%	0.322	41%	0.406	S	S	.	.	S	Bend	trans	-147.1	159.9	-179	89.5	0	0	0	0	113.2	I457 E461 Q462 A463	I457-S459 WeakPolarHBondContact CG2-O 3.34Å; S459-E461 VanDerWaalsContact C-N 3.34Å; S459-E461 WeakPolarHBondContact CB-OE2 3.41Å; S459-E461 PolarHBondContact O-N 3.12Å; S459-E461 PolarHBondContact OG-N 3.33Å; S459-E461 PolarHBondContact OG-OE2 2.96Å; S459-Q462 PolarHBondContact O-N 3.28Å; S459-Q462 PolarHBondContact OG-N 2.8Å; S459-A463 PolarHBondContact O-N 3.46Å; S459-A463 VanDerWaalsContact O-N 3.15Å
460	F	91.8	Very high	72.8	Confident	21 Å²	21	72.9 Å²	72.9	9%	0.092	38%	0.377	C	S	.	.	H	α-helix	trans	-56.3	-44.9	174.2	178	-93.5	0	0	0	112.4	A282 D284 Y314 N316 Q462 A463 K464	A282-F460 HydrophobicContact CB-CE2 4.24Å; A282-F460 HydrophobicContact CB-CZ 4.08Å; A282-F460 WeakPolarHBondContact O-CZ 3.23Å; D284-F460 HydrophobicContact CB-CB 4.19Å; D284-F460 HydrophobicContact CB-CD1 3.98Å; D284-F460 HydrophobicContact CB-CD2 3.85Å; D284-F460 HydrophobicContact CB-CE1 4.37Å; D284-F460 HydrophobicContact CB-CE2 4.24Å; D284-F460 HydrophobicContact CB-CG 3.72Å; D284-F460 HydrophobicContact CB-CZ 4.5Å; Y314-F460 AromaticContact CD1-CD2 3.65Å; Y314-F460 HydrophobicContact CD1-CD2 3.65Å; Y314-F460 AromaticContact CD1-CE2 3.52Å; Y314-F460 HydrophobicContact CD1-CE2 3.52Å; Y314-F460 HydrophobicContact CD1-CG 4.41Å; Y314-F460 HydrophobicContact CD1-CZ 4.18Å; Y314-F460 HydrophobicContact CE1-CE2 4.17Å; Y314-F460 HydrophobicContact CE1-CZ 4.4Å; Y314-F460 HydrophobicContact CG-CD2 4.48Å; Y314-F460 HydrophobicContact CG-CE2 4.5Å; N316-F460 HydrophobicContact CB-CD2 3.81Å; N316-F460 HydrophobicContact CB-CE2 3.85Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.48Å; F460-A463 WeakPolarHBondContact O-CB 3.31Å; F460-A463 PolarHBondContact O-N 3.22Å; F460-K464 HydrophobicContact CE1-CD 4.2Å; F460-K464 WeakPolarHBondContact O-CB 3.28Å; F460-K464 PolarHBondContact O-N 3.43Å
461	E	90.5	Very high	74.9	Confident	124 Å²	124	71.8 Å²	71.8	58%	0.579	36%	0.358	S	S	*	.	H	α-helix	trans	-64.5	-36	-179.6	-60.5	74.7	-162.4	0	0	111.8	S459 K464 A465	S459-E461 VanDerWaalsContact C-N 3.34Å; S459-E461 WeakPolarHBondContact CB-OE2 3.41Å; S459-E461 PolarHBondContact O-N 3.12Å; S459-E461 PolarHBondContact OG-N 3.33Å; S459-E461 PolarHBondContact OG-OE2 2.96Å; E461-K464 PolarHBondContact O-N 3.01Å; E461-A465 WeakPolarHBondContact O-CB 3.46Å; E461-A465 PolarHBondContact O-N 3.42Å
462	Q	87	Confident	77.2	Confident	36 Å²	36	75.9 Å²	75.9	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-68	-43	177.3	-170.8	-178.6	23.2	0	0	111.1	I457 S459 F460 A465 Y466	I457-Q462 HydrophobicContact CG2-CB 4.3Å; S459-Q462 PolarHBondContact O-N 3.28Å; S459-Q462 PolarHBondContact OG-N 2.8Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.48Å; Q462-A465 PolarHBondContact O-N 3.35Å; Q462-Y466 HydrophobicContact CG-CD2 4.13Å; Q462-Y466 HydrophobicContact CG-CE2 3.46Å; Q462-Y466 VanDerWaalsContact CG-CE2 3.46Å; Q462-Y466 PolarHBondContact NE2-OH 3.43Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.17Å; Q462-Y466 PolarHBondContact O-N 3.11Å
463	A	86.5	Confident	79.9	Confident	2 Å²	2	74.7 Å²	74.7	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-49	173.7	0	0	0	0	0	111.2	V313 Y314 I457 S459 F460 A465 Y466 D467	V313-A463 HydrophobicContact CG2-CB 4.36Å; Y314-A463 HydrophobicContact CD1-CB 3.61Å; Y314-A463 HydrophobicContact CD2-CB 3.64Å; Y314-A463 HydrophobicContact CE1-CB 3.94Å; Y314-A463 HydrophobicContact CE2-CB 3.96Å; Y314-A463 HydrophobicContact CG-CB 3.51Å; I457-A463 HydrophobicContact CG2-CB 3.77Å; S459-A463 PolarHBondContact O-N 3.46Å; S459-A463 VanDerWaalsContact O-N 3.15Å; F460-A463 WeakPolarHBondContact O-CB 3.31Å; F460-A463 PolarHBondContact O-N 3.22Å; A463-A465 VanDerWaalsContact C-N 3.3Å; A463-A465 PolarHBondContact O-N 3.41Å; A463-Y466 PolarHBondContact O-N 3.28Å; A463-D467 WeakPolarHBondContact O-CB 3.49Å; A463-D467 PolarHBondContact O-N 3.49Å
464	K	89.7	Confident	82	Confident	91 Å²	91	72.4 Å²	72.4	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-57.1	-41.7	178.3	-170.3	173.6	179.9	173.2	0	112.4	Y314 F460 E461 D467 Q468	Y314-K464 HydrophobicContact CE1-CB 3.78Å; Y314-K464 HydrophobicContact CE1-CG 4.45Å; Y314-K464 WeakPolarHBondContact OH-CA 3.48Å; F460-K464 HydrophobicContact CE1-CD 4.2Å; F460-K464 WeakPolarHBondContact O-CB 3.28Å; F460-K464 PolarHBondContact O-N 3.43Å; E461-K464 PolarHBondContact O-N 3.01Å; K464-D467 PolarHBondContact O-N 2.96Å; K464-Q468 PolarHBondContact O-N 3.22Å; K464-Q468 VanDerWaalsContact O-N 3.15Å
465	A	87.9	Confident	84.2	Confident	62 Å²	62	66.1 Å²	66.1	51%	0.512	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-39.7	178.8	0	0	0	0	0	112.6	E461 Q462 A463	E461-A465 WeakPolarHBondContact O-CB 3.46Å; E461-A465 PolarHBondContact O-N 3.42Å; Q462-A465 PolarHBondContact O-N 3.35Å; A463-A465 VanDerWaalsContact C-N 3.3Å; A463-A465 PolarHBondContact O-N 3.41Å
466	Y	83.5	Confident	85.7	Confident	49 Å²	49	67.8 Å²	67.8	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-71.3	-32.8	177.5	-66.9	-45.8	0	0	0	113.2	G450 V451 I457 Q462 A463 Q468	G450-Y466 PolarHBondContact O-OH 3.48Å; V451-Y466 WeakPolarHBondContact CA-OH 3.33Å; V451-Y466 HydrophobicContact CG2-CD1 3.94Å; V451-Y466 HydrophobicContact CG2-CE1 3.45Å; V451-Y466 VanDerWaalsContact CG2-CE1 3.45Å; V451-Y466 HydrophobicContact CG2-CE2 4.3Å; V451-Y466 PolarHBondContact N-OH 2.87Å; I457-Y466 HydrophobicContact CD1-CD2 4.08Å; I457-Y466 HydrophobicContact CD1-CE2 4.48Å; I457-Y466 HydrophobicContact CG1-CD2 4.14Å; I457-Y466 HydrophobicContact CG1-CE2 4.07Å; Q462-Y466 HydrophobicContact CG-CD2 4.13Å; Q462-Y466 HydrophobicContact CG-CE2 3.46Å; Q462-Y466 VanDerWaalsContact CG-CE2 3.46Å; Q462-Y466 PolarHBondContact NE2-OH 3.43Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.17Å; Q462-Y466 PolarHBondContact O-N 3.11Å; A463-Y466 PolarHBondContact O-N 3.28Å; Y466-Q468 VanDerWaalsContact C-N 3.33Å
467	D	89.2	Confident	86	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-87	-5	-176.3	-165.1	39.8	0	0	0	113.4	R121 L311 Y314 A463 K464 I469 N470 E471	R121-D467 IonicContact CZ-OD1 3.24Å; R121-D467 IonicContact NH2-OD1 3.4Å; R121-D467 PolarHBondContact NH2-OD1 2.83Å; R121-D467 IonicContact NH2-OD2 3.56Å; R121-D467 PolarHBondContact NH2-OD2 3.02Å; L311-D467 HydrophobicContact CD1-CB 4.44Å; L311-D467 WeakPolarHBondContact CD1-OD1 3.24Å; L311-D467 WeakPolarHBondContact CD1-OD2 3.49Å; Y314-D467 HydrophobicContact CE2-CB 4.14Å; Y314-D467 WeakPolarHBondContact OH-CB 3.48Å; Y314-D467 PolarHBondContact OH-OD2 2.8Å; A463-D467 WeakPolarHBondContact O-CB 3.49Å; A463-D467 PolarHBondContact O-N 3.49Å; K464-D467 PolarHBondContact O-N 2.96Å; D467-I469 PolarHBondContact O-N 3.3Å; D467-N470 WeakPolarHBondContact O-CA 3.36Å; D467-N470 WeakPolarHBondContact O-CB 3.43Å; D467-N470 PolarHBondContact O-N 2.77Å; D467-N470 WeakPolarHBondContact OD1-CB 3.33Å; D467-N470 PolarHBondContact OD1-ND2 3.29Å; D467-E471 PolarHBondContact O-N 3.2Å
468	Q	89.8	Confident	85.4	Confident	103 Å²	103	73.7 Å²	73.7	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-33	-176.4	-172.1	-178.8	22	0	0	113.8	K464 Y466 N470 E471	K464-Q468 PolarHBondContact O-N 3.22Å; K464-Q468 VanDerWaalsContact O-N 3.15Å; Y466-Q468 VanDerWaalsContact C-N 3.33Å; Q468-N470 VanDerWaalsContact C-N 3.34Å; Q468-E471 PolarHBondContact O-N 3.39Å
469	I	88.8	Confident	83.9	Confident	110 Å²	110	71.7 Å²	71.7	56%	0.564	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.1	177.6	-168.7	161.4	0	0	0	112.8	D467 E471 R472	D467-I469 PolarHBondContact O-N 3.3Å; I469-E471 VanDerWaalsContact C-N 3.32Å; I469-R472 WeakPolarHBondContact O-CB 3.38Å; I469-R472 PolarHBondContact O-N 3.14Å
470	N	91.1	Very high	81.4	Confident	7 Å²	7	74.9 Å²	74.9	4%	0.037	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.5	179.2	-58.2	-38	0	0	0	111.9	R121 F159 L426 P428 D467 Q468 R472	R121-N470 PolarHBondContact NH1-O 3.09Å; F159-N470 HydrophobicContact CE1-CB 4.05Å; F159-N470 HydrophobicContact CZ-CB 4.29Å; F159-N470 WeakPolarHBondContact CZ-O 3.32Å; L426-N470 PolarHBondContact O-ND2 3.18Å; P428-N470 WeakPolarHBondContact CB-OD1 3.15Å; P428-N470 WeakPolarHBondContact CD-OD1 3.38Å; P428-N470 WeakPolarHBondContact CG-OD1 3.49Å; D467-N470 WeakPolarHBondContact O-CA 3.36Å; D467-N470 WeakPolarHBondContact O-CB 3.43Å; D467-N470 PolarHBondContact O-N 2.77Å; D467-N470 WeakPolarHBondContact OD1-CB 3.33Å; D467-N470 PolarHBondContact OD1-ND2 3.29Å; Q468-N470 VanDerWaalsContact C-N 3.34Å; N470-R472 PolarHBondContact O-N 3Å
471	E	93.7	Very high	78.7	Confident	28 Å²	28	78.7 Å²	78.7	13%	0.131	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.3	171	-66.4	-52.9	126	0	0	112.9	R121 R253 D467 Q468 I469	R121-E471 IonicContact NH1-OE1 2.64Å; R121-E471 PolarHBondContact NH1-OE1 2.92Å; R253-E471 WeakPolarHBondContact CD-O 3.43Å; R253-E471 IonicContact CZ-OE2 3.69Å; R253-E471 PolarHBondContact NH1-O 3.37Å; R253-E471 IonicContact NH1-OE2 3.89Å; R253-E471 PolarHBondContact NH1-OE2 3.25Å; R253-E471 IonicContact NH2-OE2 3.31Å; D467-E471 PolarHBondContact O-N 3.2Å; Q468-E471 PolarHBondContact O-N 3.39Å; I469-E471 VanDerWaalsContact C-N 3.32Å
472	R	94.7	Very high	75.8	Confident	100 Å²	100	77.7 Å²	77.7	38%	0.377	42%	0.423	S	S	.	.	S	Bend	trans	-84.3	152	176.6	-68.8	-180	84	84	5.1	112.7	C251 V252 R253 I469 N470 P474	C251-R472 PolarHBondContact O-NH1 3.45Å; V252-R472 WeakPolarHBondContact O-CG 3.34Å; V252-R472 PolarHBondContact O-NH1 3.42Å; R253-R472 CarbonylContact O-C 3.45Å; R253-R472 WeakPolarHBondContact O-CA 3.45Å; I469-R472 WeakPolarHBondContact O-CB 3.38Å; I469-R472 PolarHBondContact O-N 3.14Å; N470-R472 PolarHBondContact O-N 3Å; R472-P474 WeakPolarHBondContact O-CD 3.33Å
473	M	93.7	Very high	73.1	Confident	43 Å²	43	82.7 Å²	82.7	21%	0.212	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-61.3	125.7	163.2	-175.3	173.6	66.9	0	0	109.9	A222 W231 R253 C255	A222-M473 HydrophobicContact CB-CE 4.41Å; W231-M473 HydrophobicContact CH2-CB 3.88Å; W231-M473 HydrophobicContact CH2-CG 4.41Å; W231-M473 HydrophobicContact CZ2-CB 4.16Å; W231-M473 HydrophobicContact CZ2-CG 4.26Å; W231-M473 HydrophobicContact CZ3-CB 4.18Å; R253-M473 PolarHBondContact O-N 3.12Å; C255-M473 HydrophobicContact CB-CE 3.52Å; C255-M473 HydrophobicContact CB-SD 4.05Å
474	P	91.1	Very high	70.5	Confident	6 Å²	6	88.4 Å²	88.4	4%	0.039	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.5	154.6	179.2	-24.9	34.7	0	0	0	112.9	H154 L155 Y158 R472	H154-P474 PolarHBondContact CE1-O 2.85Å; H154-P474 PolarHBondContact NE2-O 2.82Å; L155-P474 HydrophobicContact CD1-CG 3.92Å; L155-P474 HydrophobicContact CG-CG 4.37Å; Y158-P474 HydrophobicContact CD1-CB 3.83Å; Y158-P474 HydrophobicContact CD1-CG 3.42Å; Y158-P474 VanDerWaalsContact CD1-CG 3.42Å; Y158-P474 HydrophobicContact CD2-CB 3.65Å; Y158-P474 HydrophobicContact CD2-CG 4.17Å; Y158-P474 HydrophobicContact CE1-CB 4.18Å; Y158-P474 HydrophobicContact CE1-CG 3.97Å; Y158-P474 HydrophobicContact CE2-CB 4.03Å; Y158-P474 HydrophobicContact CG-CB 3.53Å; Y158-P474 HydrophobicContact CG-CG 3.52Å; R472-P474 WeakPolarHBondContact O-CD 3.33Å
475	P	88.3	Confident	67.9	Low	106 Å²	106	90.7 Å²	90.7	69%	0.688	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-62	138.3	174.5	-21.5	32.9	0	0	0	112.6
476	R	80.6	Confident	65	Low	118 Å²	118	91.4 Å²	91.4	45%	0.445	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-76.1	141.5	173	-70.4	-178.2	166.1	-161.9	-12.1	111.4	D478 S479	R476-D478 PolarHBondContact O-N 3.49Å; R476-S479 PolarHBondContact O-OG 2.75Å
477	R	65.4	Low	62.7	Low	197 Å²	197	95.5 Å²	95.5	74%	0.743	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-61.6	-13.3	-179.8	-74.8	-175.8	176.2	142.8	5.6	114.8	E157	E157-R477 IonicContact OE2-CZ 2.71Å; E157-R477 IonicContact OE2-NH1 3.44Å; E157-R477 PolarHBondContact OE2-NH1 2.72Å; E157-R477 IonicContact OE2-NH2 3.42Å
478	D	51.3	Low	59.8	Low	155 Å²	155	100.5 Å²	100.5	83%	0.829	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-97.3	12.7	-172.6	-64.1	-31.6	0	0	0	116	R476	R476-D478 PolarHBondContact O-N 3.49Å
479	S	40.3	Very low	57.2	Low	100 Å²	100	101.8 Å²	101.8	70%	0.699	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-101.4	0.1	-175.1	-37.9	0	0	0	0	115.3	R476	R476-S479 PolarHBondContact O-OG 2.75Å
480	S	35.7	Very low	54.3	Low	113 Å²	113	107.3 Å²	107.3	79%	0.79	63%	0.625	S	S	*	*	S	Bend	trans	-125.2	15.5	-170.8	64.2	0	0	0	0	116.2
481	A	33.6	Very low	51.6	Low	100 Å²	100	112.7 Å²	112.7	83%	0.826	66%	0.658	S	S	*	*	S	Bend	trans	-101.2	5.3	-177.8	0	0	0	0	0	115.5
482	S	29.7	Very low	48.8	Very low	104 Å²	104	119.4 Å²	119.4	73%	0.727	69%	0.694	S	S	*	*	S	Bend	trans	-139.2	41.5	-170.8	60	0	0	0	0	115.8
483	T	29.7	Very low	45.6	Very low	141 Å²	141	118.4 Å²	118.4	87%	0.865	72%	0.715	S	S	*	*			trans	-161.1	86.3	160.9	-12	0	0	0	0	113.1
484	S	32.4	Very low	42.9	Very low	121 Å²	121	121.5 Å²	121.5	85%	0.846	74%	0.74	S	S	*	*			trans	-163.5	100.3	142.1	41.5	0	0	0	0	109.7
485	T	34.6	Very low	40.2	Very low	140 Å²	140	127.2 Å²	127.2	86%	0.859	78%	0.776	S	S	*	*			trans	-50.8	137.9	165.2	38.2	0	0	0	0	111.7
486	G	28.6	Very low	37.7	Very low	76 Å²	76	127 Å²	127	78%	0.784	78%	0.776	S	S	*	*			trans	-64.1	151.4	-176.3	0	0	0	0	0	115
487	T	33.9	Very low	35.5	Very low	135 Å²	135	132.9 Å²	132.9	83%	0.828	80%	0.799	S	S	*	*			trans	-142.4	106.1	152.5	-39.7	0	0	0	0	107.2
488	S	29.4	Very low	33.9	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	81%	0.807	S	S	*	*			trans	-82.3	126.5	174.9	-176.1	0	0	0	0	108.8
489	V	35.6	Very low	33.3	Very low	129 Å²	129	131 Å²	131	78%	0.782	81%	0.807	S	S	*	*			trans	-115.9	111.2	164.9	-179.3	0	0	0	0	108.1
490	R	26.5	Very low	33	Very low	226 Å²	226	133.6 Å²	133.6	85%	0.853	81%	0.812	S	S	*	*			trans	-84.8	136.9	170.5	-72.9	175.2	168.7	-177.7	-3.5	109.3
491	T	35.1	Very low	33.1	Very low	120 Å²	120	138.3 Å²	138.3	74%	0.736	82%	0.819	S	S	*	*			trans	-152.2	102	149.3	-40.6	0	0	0	0	112.2
492	L	35.7	Very low	33.3	Very low	169 Å²	169	145.1 Å²	145.1	89%	0.885	82%	0.823	S	S	*	*			trans	45.2	126.5	137.1	-65.7	148.6	0	0	0	121.6
493	G	27.6	Very low	33.7	Very low	79 Å²	79	146.2 Å²	146.2	81%	0.814	83%	0.827	S	S	*	*			trans	-97.8	178.7	174.4	0	0	0	0	0	115.6
494	S	35.4	Very low	34.3	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	83%	0.825	S	S	*	*			trans	-163.9	103.3	167.2	158.6	0	0	0	0	109.8
495	T	34.8	Very low	34.8	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	82%	0.823	S	S	*	*			trans	9.2	142.5	137.3	47.9	0	0	0	0	118.1
496	S	35.2	Very low	34.9	Very low	100 Å²	100	145 Å²	145	70%	0.699	82%	0.822	S	S	*	*			cis	-179.5	166.5	23.2	49.2	0	0	0	0	111.5
497	R	34.9	Very low	35.9	Very low	242 Å²	242	147.2 Å²	147.2	91%	0.913	82%	0.822	S	S	*	*			trans	106.9	125.2	151.3	-65.3	-174	179.4	-168.7	-1.2	119.7
498	Q	32.3	Very low	36.1	Very low	195 Å²	195	146.2 Å²	146.2	91%	0.911	82%	0.818	S	S	*	*			trans	-75.3	149.4	-173.6	-66	157.7	-39.4	0	0	113.6
499	S	37.7	Very low	36.4	Very low	119 Å²	119	149.6 Å²	149.6	83%	0.832	83%	0.826	S	S	*	*				-172.4	140.9	128.1	57	0	0	0	0	111.4
500	D	34.7	Very low	36.4	Very low	153 Å²	153	149.2 Å²	149.2	82%	0.818	82%	0.824	S	S	*	*			trans	-53	146.5	-172.2	-58.4	-66.7	0	0	0	117.9
501	K	38.4	Very low	36.7	Very low	212 Å²	212	144.5 Å²	144.5	92%	0.922	82%	0.82	S	S	*	*				-178.1	140.2	120.1	-95.7	165.2	-173.7	-176	0	112
502	R	36.2	Very low	37.2	Very low	244 Å²	244	144.6 Å²	144.6	92%	0.921	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-57.2	155.1	-170	-65.6	172.3	175.8	-143.4	-2.2	115.8
503	P	39.4	Very low	36.9	Very low	126 Å²	126	143.9 Å²	143.9	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.6	146	165.8	35.7	-28.6	0	0	0	111.6
504	A	41	Very low	37.3	Very low	99 Å²	99	146.7 Å²	146.7	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.8	142.3	169	0	0	0	0	0	110.4
505	P	42.9	Very low	37.3	Very low	124 Å²	124	147.2 Å²	147.2	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.8	159.8	-167	37.5	-33.3	0	0	0	114.3
506	N	38.3	Very low	37.1	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-61.9	150.7	168.3	-70.3	-23	0	0	0	112.2
507	P	49.7	Very low	37.1	Very low	121 Å²	121	148.1 Å²	148.1	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.9	142.6	172	33.5	-30.1	0	0	0	111.6
508	P	37.4	Very low	37	Very low	115 Å²	115	142.5 Å²	142.5	75%	0.747	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-93.3	146.4	176.4	35.6	-29.9	0	0	0	111.8
509	I	35.2	Very low	36.8	Very low	178 Å²	178	141.7 Å²	141.7	91%	0.913	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-99.7	137.3	165.7	-67.4	177.3	0	0	0	109.1
510	V	35.3	Very low	36.7	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.1	137.9	-161.3	172.6	0	0	0	0	112.1
511	T	32.9	Very low	36.5	Very low	126 Å²	126	142.5 Å²	142.5	77%	0.773	81%	0.81	S	S	*	*			trans	-116.5	135.9	156.4	48.5	0	0	0	0	109.3
512	P	45.9	Very low	36.1	Very low	123 Å²	123	135.4 Å²	135.4	80%	0.799	80%	0.798	S	S	*	*			trans	-87.9	137.6	176.6	32	-28.5	0	0	0	112.8
513	N	30	Very low	35.9	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	80%	0.799	S	S	*	*			trans	-83.6	147.4	173.1	-79.4	-29.4	0	0	0	112.6
514	T	35.7	Very low	35.6	Very low	139 Å²	139	140.8 Å²	140.8	85%	0.853	80%	0.803	S	S	*	*			trans	-155.9	97.5	146.7	-9.7	0	0	0	0	108
515	V	35.2	Very low	35	Very low	119 Å²	119	147 Å²	147	72%	0.721	81%	0.805	S	S	*	*				82.3	114.9	87.9	-179.9	0	0	0	0	115
516	D	32	Very low	34.5	Very low	149 Å²	149	149.7 Å²	149.7	80%	0.797	81%	0.812	S	S	*	*			trans	49.7	140.1	149.8	-82.1	-32.2	0	0	0	121
517	S	33.8	Very low	34.2	Very low	96 Å²	96	147.4 Å²	147.4	67%	0.671	81%	0.808	S	S	*	*			cis	-175.5	158.6	38.7	20.7	0	0	0	0	112.7
518	T	33.1	Very low	33.4	Very low	124 Å²	124	146.7 Å²	146.7	76%	0.761	81%	0.813	S	S	*	*			trans	76.5	104.6	148.3	45.9	0	0	0	0	123.1
519	Q	28.9	Very low	33.2	Very low	179 Å²	179	151.1 Å²	151.1	84%	0.836	82%	0.82	S	S	*	*				35.4	128.5	126.5	-64.2	-170.8	1.9	0	0	121
520	I	34.2	Very low	33.2	Very low	172 Å²	172	148.4 Å²	148.4	88%	0.882	82%	0.817	S	S	*	*				-168.4	141.5	110.8	-88.9	151.8	0	0	0	109.9
521	S	30.9	Very low	32.9	Very low	116 Å²	116	149.7 Å²	149.7	81%	0.811	82%	0.82	S	S	*	*			trans	-90.4	162.7	-171.5	71.2	0	0	0	0	115.5
522	G	30.8	Very low	33.1	Very low	63 Å²	63	150 Å²	150	65%	0.649	82%	0.822	S	S	*	*			trans	109.4	117.4	154.2	0	0	0	0	0	112.2
523	Y	32.4	Very low	32.5	Very low	245 Å²	245	148.7 Å²	148.7	96%	0.961	82%	0.815	S	S	*	*				-159.4	156.9	71	-105.2	-96.2	0	0	0	113.4
524	R	32.3	Very low	32.7	Very low	239 Å²	239	152.4 Å²	152.4	90%	0.902	82%	0.818	S	S	*	*			trans	-71.9	152.7	-170.7	-76.2	174.6	173.3	177.9	-2.3	115.7
525	R	27.7	Very low	32.6	Very low	228 Å²	228	151.3 Å²	151.3	86%	0.86	81%	0.811	S	S	*	*			trans	-48.8	143.2	152.7	-80	179.1	179.5	177.7	-0.6	113.2
526	L	33	Very low	32.5	Very low	182 Å²	182	151.9 Å²	151.9	95%	0.953	82%	0.815	S	S	*	*			trans	-136.5	106.7	142.3	-77.7	172.2	0	0	0	109.3
527	S	31.2	Very low	32.7	Very low	106 Å²	106	149.7 Å²	149.7	74%	0.741	82%	0.818	S	S	*	*			trans	-105.1	116	160.6	61.2	0	0	0	0	107.3
528	A	34.8	Very low	32.7	Very low	106 Å²	106	152.9 Å²	152.9	88%	0.876	83%	0.827	S	S	*	*			trans	-98.4	117.5	170.9	0	0	0	0	0	109.3
529	K	31.5	Very low	32.9	Very low	208 Å²	208	155.1 Å²	155.1	90%	0.904	83%	0.829	S	S	*	*			trans	-81.7	135	159.1	-76.7	179.6	173.9	180	0	107.9
530	S	35.1	Very low	33.4	Very low	121 Å²	121	153.1 Å²	153.1	85%	0.846	82%	0.824	S	S	*	*			trans	-137.8	126.7	151.8	62.9	0	0	0	0	109.3
531	N	30.6	Very low	33.6	Very low	149 Å²	149	150.4 Å²	150.4	80%	0.797	81%	0.812	S	S	*	*			trans	-80.6	174	172.6	-91.2	-18.9	0	0	0	110.2
532	T	36.1	Very low	33.8	Very low	134 Å²	134	151.6 Å²	151.6	82%	0.822	81%	0.806	S	S	*	*			trans	101.7	135.1	165.1	68.9	0	0	0	0	113.8
533	S	34.2	Very low	34.3	Very low	94 Å²	94	156 Å²	156	66%	0.657	81%	0.809	S	S	*	*			cis	175	146.1	-14.8	43	0	0	0	0	107
534	R	33.9	Very low	34.5	Very low	231 Å²	231	154.4 Å²	154.4	87%	0.872	80%	0.802	S	S	*	*			trans	68.5	140.9	155.7	-73.6	175.3	174.8	176.2	-3	115.9
535	T	33.8	Very low	34.8	Very low	117 Å²	117	147.4 Å²	147.4	72%	0.718	79%	0.789	S	S	*	*			cis	-170.8	135.9	26.3	8	0	0	0	0	109.8
536	T	32.5	Very low	35.3	Very low	131 Å²	131	141.8 Å²	141.8	80%	0.804	79%	0.785	S	S	*	*			trans	28.4	126.8	137.8	59.9	0	0	0	0	122.3
537	A	36.4	Very low	35.5	Very low	103 Å²	103	137.9 Å²	137.9	85%	0.851	77%	0.773	S	S	*	*				-164.3	115.2	123.9	0	0	0	0	0	110.7
538	D	32.8	Very low	35.8	Very low	162 Å²	162	137.5 Å²	137.5	87%	0.866	77%	0.77	S	S	*	*			trans	-69.6	154.3	160.6	-81.6	-49.4	0	0	0	110.7
539	E	38.7	Very low	36	Very low	171 Å²	171	139.4 Å²	139.4	80%	0.799	77%	0.771	S	S	*	*			trans	-177.6	114	138.3	-101	176.7	-174.8	0	0	108.1
540	N	39.1	Very low	36.2	Very low	137 Å²	137	132.8 Å²	132.8	73%	0.733	76%	0.762	S	S	*	*				73.8	141.3	94.3	-75.5	-5.5	0	0	0	112.8
541	D	38.5	Very low	36.1	Very low	116 Å²	116	135.3 Å²	135.3	62%	0.62	77%	0.765	S	S	*	*			cis	-171.6	157.2	-7	-135.8	-21.3	0	0	0	107.7
542	M	35.4	Very low	36.2	Very low	141 Å²	141	140.1 Å²	140.1	70%	0.695	77%	0.772	S	S	*	*			trans	20.5	134.5	147	-71.4	-173.1	-90.7	0	0	123
543	H	40	Very low	36	Very low	156 Å²	156	139 Å²	139	72%	0.722	77%	0.77	S	S	*	*				-173.5	132.8	107.7	-99.6	-40.4	0	0	0	117.2
544	R	37.8	Very low	36.1	Very low	211 Å²	211	140.3 Å²	140.3	80%	0.796	78%	0.779	S	S	*	*			trans	62.4	122.6	135.8	-76.5	174.2	173.2	-168.8	-0.7	119.6
545	S	38.5	Very low	36.1	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	78%	0.782	S	S	*	*			cis	118.1	126.6	31.3	60.9	0	0	0	0	111.1
546	S	38.3	Very low	36.1	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	78%	0.781	S	S	*	*			trans	59.8	144.1	141.2	64.6	0	0	0	0	119
547	S	37.5	Very low	36	Very low	101 Å²	101	138 Å²	138	71%	0.706	78%	0.784	S	S	*	*			cis	-175.8	131.3	25.3	38.5	0	0	0	0	108
548	S	37.4	Very low	36	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	79%	0.785	S	S	*	*				65.7	134.6	104.9	82.1	0	0	0	0	120
549	T	38.7	Very low	35.9	Very low	145 Å²	145	139 Å²	139	89%	0.89	78%	0.781	S	S	*	*			trans	77.8	141.4	159.5	70.5	0	0	0	0	116.9
550	G	35	Very low	35.9	Very low	70 Å²	70	137.8 Å²	137.8	72%	0.722	79%	0.785	S	S	*	*			cis	160.9	123.8	3.7	0	0	0	0	0	109
551	L	32.7	Very low	35.5	Very low	173 Å²	173	138.5 Å²	138.5	91%	0.906	79%	0.788	S	S	*	*			trans	24.5	121	152.5	-66	154.7	0	0	0	120.6
552	R	33.7	Very low	35.3	Very low	250 Å²	250	138.6 Å²	138.6	94%	0.943	80%	0.798	S	S	*	*				176.4	149.8	111.7	-101.5	177.5	171.4	-155.8	-2.1	113.7
553	S	31.3	Very low	35.1	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	80%	0.8	S	S	*	*			trans	-74.4	151.4	-176.3	56.3	0	0	0	0	116
554	S	37.3	Very low	34.9	Very low	120 Å²	120	137.2 Å²	137.2	84%	0.839	81%	0.809	S	S	*	*			trans	-161.6	131.4	145.3	53.9	0	0	0	0	111.9
555	N	32.9	Very low	34.6	Very low	177 Å²	177	136.3 Å²	136.3	95%	0.947	81%	0.811	S	S	*	*			trans	-75.3	162.3	173.1	-67.2	-26.4	0	0	0	112.7
556	G	34.5	Very low	34.2	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	82%	0.821	S	S	*	*			trans	143.9	91.8	162.8	0	0	0	0	0	111.7
557	E	30.7	Very low	34	Very low	186 Å²	186	137 Å²	137	87%	0.869	82%	0.821	S	S	*	*				54.2	112.4	100.1	-82.2	-174.3	157.6	0	0	115.1
558	T	36.4	Very low	33.7	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	83%	0.829	S	S	*	*				170.7	146	111.4	33.9	0	0	0	0	112.9
559	D	30	Very low	33.4	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	83%	0.834	S	S	*	*			trans	-50.6	153.3	-179.3	-60	-66.2	0	0	0	116.8
560	V	37.4	Very low	33.1	Very low	145 Å²	145	140 Å²	140	88%	0.879	83%	0.827	S	S	*	*				-167	143.5	110.7	-117.8	0	0	0	0	114
561	N	31.1	Very low	32.9	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	84%	0.835	S	S	*	*			trans	-52	147.5	177.9	-61.9	-60.6	0	0	0	117.4
562	S	35.2	Very low	32.8	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	83%	0.826	S	S	*	*				-164.2	115.7	123.8	70	0	0	0	0	114.5
563	V	31.1	Very low	32.7	Very low	119 Å²	119	136.1 Å²	136.1	72%	0.721	82%	0.818	S	S	*	*			trans	-27.2	137.3	158.4	177.8	0	0	0	0	116.8
564	T	34.6	Very low	32.7	Very low	149 Å²	149	141.1 Å²	141.1	91%	0.914	82%	0.821	S	S	*	*				-164.7	144	127.1	17.4	0	0	0	0	112.2
565	K	31.6	Very low	32.5	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	81%	0.813	S	S	*	*			trans	-94.5	166.2	-161.2	-71.7	172.2	169.5	175.6	0	113.6
566	S	31.8	Very low	32.4	Very low	124 Å²	124	137.5 Å²	137.5	87%	0.867	81%	0.807	S	S	*	*			trans	92	132.5	146.1	-154	0	0	0	0	115.2
567	A	33.4	Very low	32.2	Very low	92 Å²	92	141.3 Å²	141.3	76%	0.76	81%	0.81	S	S	*	*			cis	-151.1	144.9	18.1	0	0	0	0	0	111.5
568	H	30.3	Very low	32.2	Very low	188 Å²	188	137.5 Å²	137.5	87%	0.87	80%	0.804	S	S	*	*			trans	-64.7	141	172.1	-91.8	-90.2	0	0	0	113.2
569	A	32.5	Very low	32	Very low	97 Å²	97	136 Å²	136	80%	0.802	80%	0.8	S	S	*	*			trans	-130.8	125.1	143.2	0	0	0	0	0	108.3
570	T	30.7	Very low	32.2	Very low	121 Å²	121	136 Å²	136	74%	0.742	80%	0.799	S	S	*	*			trans	-73.9	121	-163.4	-38.1	0	0	0	0	112.1
571	L	31.6	Very low	31.8	Very low	169 Å²	169	136.8 Å²	136.8	89%	0.885	80%	0.797	S	S	*	*			trans	-80.6	109.2	163.4	-97.7	147	0	0	0	108.6	S573	L571-S573 PolarHBondContact O-N 3.48Å
572	N	30	Very low	31.9	Very low	133 Å²	133	140.8 Å²	140.8	71%	0.711	80%	0.801	S	S	*	*			trans	-78.5	114.3	163.2	-93.2	-9.7	0	0	0	108.9
573	S	31.4	Very low	31.7	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.9	164	50.9	0	0	0	0	111.2	L571	L571-S573 PolarHBondContact O-N 3.48Å
574	Y	32.3	Very low	32	Very low	216 Å²	216	143.3 Å²	143.3	85%	0.847	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101.1	129.1	158.7	-87.8	-84.1	0	0	0	109.1
575	P	32.3	Very low	31.8	Very low	103 Å²	103	143.9 Å²	143.9	67%	0.669	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.6	137.5	176.2	30.5	-30.5	0	0	0	110.1	I577	P575-I577 PolarHBondContact O-N 3.31Å
576	S	30.9	Very low	32.5	Very low	118 Å²	118	140.3 Å²	140.3	83%	0.825	80%	0.8	S	S	*	*			trans	-54.8	113.6	165.3	50.1	0	0	0	0	110.4
577	I	31.5	Very low	32.6	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	80%	0.802	S	S	*	*			trans	-91.6	107.1	168.7	-65.1	176.4	0	0	0	107.9	P575 S579	P575-I577 PolarHBondContact O-N 3.31Å; I577-S579 PolarHBondContact O-N 3.38Å
578	S	30.1	Very low	32.8	Very low	105 Å²	105	149.2 Å²	149.2	73%	0.734	81%	0.805	S	S	*	*			trans	-69.3	110.8	154.4	58.3	0	0	0	0	108.5
579	S	33	Very low	33.4	Very low	110 Å²	110	146 Å²	146	77%	0.769	80%	0.801	S	S	*	*			trans	-92.6	103.4	166	46.2	0	0	0	0	109.5	I577	I577-S579 PolarHBondContact O-N 3.38Å
580	N	33.4	Very low	33.5	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	80%	0.8	S	S	*	*			trans	-56.4	137	161.9	-81.9	-47.4	0	0	0	110.6	R582	N580-R582 PolarHBondContact O-N 3.38Å
581	I	30	Very low	34	Very low	161 Å²	161	146.8 Å²	146.8	83%	0.826	81%	0.806	S	S	*	*			trans	-47.7	123.5	159.9	-64.8	164.5	0	0	0	109.2
582	R	33	Very low	34.4	Very low	235 Å²	235	144.1 Å²	144.1	89%	0.887	80%	0.801	S	S	*	*			trans	-155.6	123.5	154.8	-107.1	173.7	-166.5	-168.8	3.4	110.4	N580	N580-R582 PolarHBondContact O-N 3.38Å
583	D	31.4	Very low	34.8	Very low	154 Å²	154	142.3 Å²	142.3	82%	0.824	80%	0.799	S	S	*	*			trans	-47.1	130.6	171.8	-64.6	-61	0	0	0	113.2
584	T	35.7	Very low	35.3	Very low	137 Å²	137	143.4 Å²	143.4	84%	0.84	80%	0.796	S	S	*	*			trans	-152.2	118.1	145.5	48.8	0	0	0	0	110.8
585	N	31.6	Very low	35.7	Very low	162 Å²	162	139.9 Å²	139.9	87%	0.866	79%	0.792	S	S	*	*			trans	-84.9	131.5	176	-159.4	4.2	0	0	0	109.5
586	P	45.2	Very low	36	Very low	115 Å²	115	139.8 Å²	139.8	75%	0.747	79%	0.793	S	S	*	*			trans	-104.8	128.2	165.8	23.2	-7.5	0	0	0	112.2
587	R	35.7	Very low	36.5	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-56	143.5	177.8	-71	171.1	169.4	-169.2	-4.4	114
588	I	36.3	Very low	36.9	Very low	161 Å²	161	142.2 Å²	142.2	83%	0.826	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78	138	159.9	-60.5	168.1	0	0	0	109.4
589	P	42.9	Very low	37.6	Very low	120 Å²	120	150.7 Å²	150.7	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-99.7	132.7	155.6	12.4	6.9	0	0	0	111.1
590	A	34.5	Very low	37.8	Very low	95 Å²	95	152.8 Å²	152.8	79%	0.785	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.5	148.9	175.5	0	0	0	0	0	112.6
591	T	42.5	Very low	38.1	Very low	141 Å²	141	153.1 Å²	153.1	87%	0.865	82%	0.821	S	S	*	*			trans	-127.8	115	154.5	50.9	0	0	0	0	109.6
592	S	38.3	Very low	38.5	Very low	113 Å²	113	152.6 Å²	152.6	79%	0.79	82%	0.821	S	S	*	*			trans	-49.5	165.8	154.7	53.4	0	0	0	0	111.9
593	S	40.2	Very low	38.9	Very low	94 Å²	94	147.8 Å²	147.8	66%	0.657	82%	0.817	S	S	*	*			cis	-167.3	172.6	10.9	36.7	0	0	0	0	107.7
594	D	41.6	Very low	39.3	Very low	134 Å²	134	147.4 Å²	147.4	72%	0.717	82%	0.817	S	S	*	*			trans	103.4	86.4	149.8	-62.9	-43.6	0	0	0	120.2
595	N	40	Very low	39.6	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	82%	0.815	S	S	*	*				53.6	109.6	107.6	-87.3	-19.5	0	0	0	119.7
596	S	38.1	Very low	40.1	Very low	100 Å²	100	147.1 Å²	147.1	70%	0.699	81%	0.812	S	S	*	*				116.9	120.5	105.3	77.9	0	0	0	0	118
597	T	42.8	Very low	39.8	Very low	117 Å²	117	149.5 Å²	149.5	72%	0.718	82%	0.817	S	S	*	*			trans	68.1	110.4	138.8	27.1	0	0	0	0	122.3
598	K	38.5	Very low	40.1	Very low	200 Å²	200	141.8 Å²	141.8	87%	0.87	81%	0.809	S	S	*	*				48	103.9	122.9	-70.6	-175.1	176.5	-179.4	0	117.8
599	K	45.5	Very low	40.4	Very low	284 Å²	284	140.1 Å²	140.1	100%	1.235	81%	0.807	S	S	*	*				-153.2	0	109.8	-129	-179.7	-175	-178.8	0	110

Retrieved 599 of 599 residues in 1282.9 ms (Link to these results)

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