A0A087XLW2_POEFO Loading...

Galactosidase, beta 1-like

AlphaFold DB , UniProt , Accession A0A087XLW2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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	36.8	Very low	32.7	Very low	243 Å²	243	138.5 Å²	138.5	100%	1.197	84%	0.837	S	S	*	*				0	126.7	0	-84.2	-174.2	-89.3	0	0	108.2
2	A	35.3	Very low	32.7	Very low	100 Å²	100	141.4 Å²	141.4	83%	0.826	84%	0.839	S	S	*	*			trans	56.9	96.1	162.9	0	0	0	0	0	120.3
3	A	30.1	Very low	32.6	Very low	110 Å²	110	137.5 Å²	137.5	91%	0.909	83%	0.832	S	S	*	*				41.7	135.2	124.7	0	0	0	0	0	122.7
4	A	33.1	Very low	32.5	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	82%	0.824	S	S	*	*			trans	-88.9	159	-179.4	0	0	0	0	0	114.3
5	S	31.3	Very low	32.5	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	82%	0.815	S	S	*	*			trans	39.5	125.4	138.7	-49.4	0	0	0	0	120.6
6	F	29.9	Very low	32.4	Very low	191 Å²	191	134.2 Å²	134.2	84%	0.838	81%	0.811	S	S	*	*				173.2	142.8	99.4	-112.4	-90.9	0	0	0	112
7	L	32.7	Very low	32.6	Very low	159 Å²	159	135.8 Å²	135.8	83%	0.832	81%	0.813	S	S	*	*			trans	-51.9	139.9	159.9	-85.7	86.4	0	0	0	110.6
8	F	31.8	Very low	32.7	Very low	191 Å²	191	133.8 Å²	133.8	84%	0.838	81%	0.807	S	S	*	*			trans	-135.1	115.7	153.5	-110.5	-86.7	0	0	0	110.5
9	A	33.2	Very low	32.7	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	80%	0.795	S	S	*	*			trans	-61.8	137.3	160.8	0	0	0	0	0	109.2
10	V	34.3	Very low	32.8	Very low	140 Å²	140	128.6 Å²	128.6	85%	0.848	79%	0.793	S	S	*	*			trans	-126	117	160.3	179.3	0	0	0	0	108.6
11	C	30.9	Very low	33	Very low	110 Å²	110	129.5 Å²	129.5	74%	0.743	79%	0.792	S	S	*	*			trans	-43.2	140.5	-176.4	-64.3	0	0	0	0	116.2	A13	C11-A13 PolarHBondContact O-N 2.96Å; C11-A13 VanDerWaalsContact O-N 3.14Å
12	M	32.9	Very low	33.3	Very low	174 Å²	174	123.2 Å²	123.2	86%	0.857	77%	0.767	S	S	*	*			trans	-44.1	112.9	143.3	-80.8	178.9	171.6	0	0	109.9	L14	M12-L14 HydrophobicContact SD-CD1 4.38Å
13	A	30.8	Very low	33.7	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	77%	0.77	S	S	*	*			trans	-111.2	78.2	153.4	0	0	0	0	0	106.8	C11 S15	C11-A13 PolarHBondContact O-N 2.96Å; C11-A13 VanDerWaalsContact O-N 3.14Å; A13-S15 PolarHBondContact O-N 2.78Å
14	L	31.6	Very low	35.2	Very low	138 Å²	138	122.3 Å²	122.3	72%	0.723	75%	0.749	S	S	*	*			trans	-63.3	90.7	152.5	-91.2	137.2	0	0	0	105.6	M12 T16	M12-L14 HydrophobicContact SD-CD1 4.38Å; L14-T16 PolarHBondContact O-N 3.14Å
15	S	32.1	Very low	37.6	Very low	98 Å²	98	124.3 Å²	124.3	69%	0.685	75%	0.752	S	S	*	*			trans	-63.3	93.6	157.8	29.7	0	0	0	0	106.2	A13 L17	A13-S15 PolarHBondContact O-N 2.78Å; S15-L17 PolarHBondContact O-N 2.96Å
16	T	32.1	Very low	40.7	Very low	123 Å²	123	123.6 Å²	123.6	76%	0.755	73%	0.734	S	S	*	*			trans	-56.4	83.9	154.2	49.4	0	0	0	0	106.8	L14 S18	L14-T16 PolarHBondContact O-N 3.14Å; T16-S18 PolarHBondContact O-N 2.77Å
17	L	35	Very low	43.9	Very low	161 Å²	161	116.3 Å²	116.3	84%	0.843	71%	0.707	S	S	*	*			trans	-60.1	92.8	143.8	-93.6	137.2	0	0	0	103.8	S15 G19	S15-L17 PolarHBondContact O-N 2.96Å; L17-G19 PolarHBondContact O-N 2.88Å
18	S	35.2	Very low	47.1	Very low	101 Å²	101	109.4 Å²	109.4	71%	0.706	67%	0.67	S	S	*	*			trans	-55.9	78.1	151.1	50.5	0	0	0	0	105.9	T16 S20	T16-S18 PolarHBondContact O-N 2.77Å; S18-S20 PolarHBondContact O-N 2.71Å
19	G	32.5	Very low	50.3	Low	56 Å²	56	102.6 Å²	102.6	58%	0.577	65%	0.647	S	S	*	*			trans	-55.8	104.1	152.4	0	0	0	0	0	103.5	L17 L21	L17-G19 PolarHBondContact O-N 2.88Å; G19-L21 PolarHBondContact O-N 2.69Å
20	S	33.9	Very low	53.4	Low	106 Å²	106	99.5 Å²	99.5	74%	0.741	62%	0.617	S	S	*	*			trans	-57.5	80.2	155.4	-45.2	0	0	0	0	105.2	S18 V22	S18-S20 PolarHBondContact O-N 2.71Å; S20-V22 PolarHBondContact O-N 2.88Å
21	L	37.3	Very low	56.4	Low	149 Å²	149	94.3 Å²	94.3	78%	0.78	59%	0.585	S	S	*	*			trans	-53.9	100.5	155.8	-87.3	154.6	0	0	0	102.6	G19 T23	G19-L21 PolarHBondContact O-N 2.69Å; L21-T23 HydrophobicContact CB-CG2 4.36Å; L21-T23 PolarHBondContact O-N 2.84Å
22	V	42.8	Very low	59.6	Low	111 Å²	111	94.1 Å²	94.1	67%	0.673	57%	0.569	S	S	*	*			trans	-63.5	94.4	167.9	175.9	0	0	0	0	103.5	S20 G24	S20-V22 PolarHBondContact O-N 2.88Å; V22-G24 PolarHBondContact O-N 2.93Å
23	T	44.7	Very low	62.7	Low	144 Å²	144	94 Å²	94	88%	0.883	56%	0.564	S	S	*	*			trans	-72.1	25.1	179.3	39.7	0	0	0	0	111.8	L21	L21-T23 HydrophobicContact CB-CG2 4.36Å; L21-T23 PolarHBondContact O-N 2.84Å
24	G	60.3	Low	65.9	Low	46 Å²	46	94.5 Å²	94.5	47%	0.474	55%	0.554	S	S	.	*	S	Bend	trans	-99.5	135	173.6	0	0	0	0	0	110.3	V22 R26	V22-G24 PolarHBondContact O-N 2.93Å; G24-R26 PolarHBondContact O-N 3.46Å
25	T	85.4	Confident	69	Low	132 Å²	132	91.8 Å²	91.8	81%	0.81	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-57.6	131.1	164	41	0	0	0	0	109.6	S27	T25-S27 PolarHBondContact O-N 2.81Å
26	R	95.8	Very high	72.2	Confident	86 Å²	86	88.3 Å²	88.3	33%	0.325	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-57.3	129.4	178.6	-70.2	177.8	70.4	163.8	-3	110	G24 D40 Y170 G173 G174	G24-R26 PolarHBondContact O-N 3.46Å; R26-D40 WeakPolarHBondContact CA-OD1 3.44Å; R26-Y170 HydrophobicContact CB-CD1 4.21Å; R26-Y170 HydrophobicContact CB-CE1 3.8Å; R26-Y170 HydrophobicContact CG-CE1 4.37Å; R26-Y170 PolarHBondContact NE-O 2.92Å; R26-G173 VanDerWaalsContact NH1-C 3.32Å; R26-G173 PolarHBondContact NH1-O 3.43Å; R26-G174 PolarHBondContact NH2-O 2.6Å
27	S	97.6	Very high	75.4	Confident	38 Å²	38	82.7 Å²	82.7	27%	0.266	48%	0.478	S	S	.	.			trans	-142.5	148	179.9	63.8	0	0	0	0	111.7	T25 D40 Y170	T25-S27 PolarHBondContact O-N 2.81Å; S27-D40 PolarHBondContact N-OD1 3.39Å; S27-D40 PolarHBondContact O-N 2.91Å; S27-Y170 WeakPolarHBondContact O-CE1 3.4Å
28	F	98.6	Very high	78.4	Confident	13 Å²	13	76.6 Å²	76.6	6%	0.057	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	120.2	170.8	-167.3	-87.9	0	0	0	108.4	F37 L38 K39 F44 Y170 I177 T178 V212	F28-F37 HydrophobicContact CE1-CB 4.31Å; F28-F37 AromaticContact CE1-CD1 3.55Å; F28-F37 HydrophobicContact CE1-CD1 3.55Å; F28-F37 HydrophobicContact CE1-CE1 4.04Å; F28-F37 HydrophobicContact CE1-CG 4.03Å; F28-F37 HydrophobicContact CE2-CB 4.32Å; F28-F37 HydrophobicContact CZ-CB 3.79Å; F28-F37 AromaticContact CZ-CD1 3.77Å; F28-F37 HydrophobicContact CZ-CD1 3.77Å; F28-F37 HydrophobicContact CZ-CD2 4.39Å; F28-F37 HydrophobicContact CZ-CE1 4.44Å; F28-F37 AromaticContact CZ-CG 3.73Å; F28-F37 HydrophobicContact CZ-CG 3.73Å; F28-L38 VanDerWaalsContact CA-O 3.3Å; F28-L38 WeakPolarHBondContact CA-O 3.28Å; F28-K39 HydrophobicContact CD2-CB 4Å; F28-K39 HydrophobicContact CD2-CG 4.22Å; F28-K39 HydrophobicContact CE2-CB 4.28Å; F28-F44 AromaticContact CE2-CD1 3.55Å; F28-F44 HydrophobicContact CE2-CD1 3.55Å; F28-F44 AromaticContact CE2-CE1 3.82Å; F28-F44 HydrophobicContact CE2-CE1 3.82Å; F28-F44 HydrophobicContact CE2-CG 4.39Å; F28-F44 HydrophobicContact CZ-CD1 4.07Å; F28-F44 HydrophobicContact CZ-CE1 4.32Å; F28-Y170 HydrophobicContact CB-CD1 4.07Å; F28-I177 HydrophobicContact CB-CG2 4.48Å; F28-I177 HydrophobicContact CD1-CB 3.94Å; F28-I177 WeakPolarHBondContact CD1-O 3.35Å; F28-I177 HydrophobicContact CD2-CB 3.77Å; F28-I177 HydrophobicContact CD2-CG2 3.61Å; F28-I177 HydrophobicContact CE1-CB 4Å; F28-I177 HydrophobicContact CE2-CB 3.81Å; F28-I177 HydrophobicContact CE2-CD1 3.88Å; F28-I177 HydrophobicContact CE2-CG1 4.42Å; F28-I177 HydrophobicContact CE2-CG2 3.91Å; F28-I177 HydrophobicContact CG-CB 3.83Å; F28-I177 HydrophobicContact CG-CG2 3.98Å; F28-I177 HydrophobicContact CZ-CB 3.93Å; F28-I177 HydrophobicContact CZ-CD1 3.83Å; F28-I177 HydrophobicContact CZ-CG1 4.34Å; F28-T178 HydrophobicContact CD1-CG2 4.27Å; F28-T178 HydrophobicContact CE1-CG2 3.57Å; F28-T178 HydrophobicContact CZ-CG2 4.3Å; F28-V212 HydrophobicContact CD1-CG2 3.94Å; F28-V212 HydrophobicContact CE1-CG2 4.35Å
29	S	98.5	Very high	81.4	Confident	49 Å²	49	74.1 Å²	74.1	34%	0.343	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	167.4	-174.3	65.4	0	0	0	0	111.9	F37 L38	S29-F37 CarbonylContact O-C 3.53Å; S29-F37 WeakPolarHBondContact O-CA 3.27Å; S29-L38 PolarHBondContact N-O 2.95Å; S29-L38 PolarHBondContact O-N 3.35Å
30	I	98.8	Very high	84.5	Confident	23 Å²	23	74 Å²	74	12%	0.118	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.4	170.3	-66.3	168.7	0	0	0	108.8	Y32 F37 V212 Y233	I30-Y32 HydrophobicContact CB-CD2 4.33Å; I30-Y32 HydrophobicContact CB-CE2 3.93Å; I30-Y32 HydrophobicContact CG2-CD1 3.96Å; I30-Y32 HydrophobicContact CG2-CD2 3.79Å; I30-Y32 HydrophobicContact CG2-CE1 3.9Å; I30-Y32 HydrophobicContact CG2-CE2 3.71Å; I30-Y32 HydrophobicContact CG2-CG 3.92Å; I30-F37 HydrophobicContact CD1-CE1 4.18Å; I30-F37 HydrophobicContact CG1-CD1 3.77Å; I30-F37 HydrophobicContact CG1-CE1 3.57Å; I30-V212 HydrophobicContact CD1-CG1 3.82Å; I30-V212 HydrophobicContact CG1-CG1 4.19Å; I30-V212 HydrophobicContact CG1-CG2 4.42Å; I30-Y233 HydrophobicContact CD1-CD1 3.95Å; I30-Y233 HydrophobicContact CD1-CD2 3.56Å; I30-Y233 HydrophobicContact CD1-CE1 4.47Å; I30-Y233 HydrophobicContact CD1-CE2 4.13Å; I30-Y233 HydrophobicContact CD1-CG 3.46Å; I30-Y233 VanDerWaalsContact CD1-CG 3.46Å
31	D	98.4	Very high	87.6	Confident	31 Å²	31	71.5 Å²	71.5	17%	0.166	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	93.8	165.2	-176.3	-12	0	0	0	108.9	K33 N34 H35 C36 L38	D31-K33 PolarHBondContact O-N 3.03Å; D31-K33 WeakPolarHBondContact OD1-CB 3.36Å; D31-K33 PolarHBondContact OD1-N 2.9Å; D31-K33 VanDerWaalsContact OD1-N 3.1Å; D31-N34 PolarHBondContact O-N 3.33Å; D31-N34 PolarHBondContact OD1-N 2.87Å; D31-N34 VanDerWaalsContact OD1-N 3.09Å; D31-N34 WeakPolarHBondContact OD2-CB 3.28Å; D31-N34 PolarHBondContact OD2-ND2 2.84Å; D31-H35 PolarHBondContact O-N 3.46Å; D31-C36 PolarHBondContact N-O 3.22Å; D31-C36 PolarHBondContact O-N 3.42Å; D31-L38 HydrophobicContact CB-CD1 3.84Å; D31-L38 HydrophobicContact CB-CD2 4.24Å; D31-L38 HydrophobicContact CB-CG 3.75Å
32	Y	98.2	Very high	90.4	Very high	107 Å²	107	71.5 Å²	71.5	42%	0.42	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.8	-179.5	-72.3	-83	0	0	0	112.1	I30 Y233 Q257 G258	I30-Y32 HydrophobicContact CB-CD2 4.33Å; I30-Y32 HydrophobicContact CB-CE2 3.93Å; I30-Y32 HydrophobicContact CG2-CD1 3.96Å; I30-Y32 HydrophobicContact CG2-CD2 3.79Å; I30-Y32 HydrophobicContact CG2-CE1 3.9Å; I30-Y32 HydrophobicContact CG2-CE2 3.71Å; I30-Y32 HydrophobicContact CG2-CG 3.92Å; Y32-Y233 HydrophobicContact CE1-CD2 4.16Å; Y32-Y233 AromaticContact CE1-CE2 3.95Å; Y32-Y233 HydrophobicContact CE1-CE2 3.95Å; Y32-Q257 HydrophobicContact CD1-CB 3.9Å; Y32-Q257 HydrophobicContact CG-CB 4.42Å; Y32-Q257 WeakPolarHBondContact O-CB 3.46Å; Y32-Q257 PolarHBondContact O-OE1 2.82Å; Y32-G258 PolarHBondContact O-N 3.3Å
33	K	96.8	Very high	93.1	Very high	170 Å²	170	71.3 Å²	71.3	74%	0.739	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-40.1	-176.5	-177.1	-178.8	176.8	-176.7	0	112.1	D31	D31-K33 PolarHBondContact O-N 3.03Å; D31-K33 WeakPolarHBondContact OD1-CB 3.36Å; D31-K33 PolarHBondContact OD1-N 2.9Å; D31-K33 VanDerWaalsContact OD1-N 3.1Å
34	N	97.8	Very high	95.7	Very high	102 Å²	102	66.2 Å²	66.2	55%	0.545	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	7.7	-178	-61.5	-51.8	0	0	0	113.4	D31 C36	D31-N34 PolarHBondContact O-N 3.33Å; D31-N34 PolarHBondContact OD1-N 2.87Å; D31-N34 VanDerWaalsContact OD1-N 3.09Å; D31-N34 WeakPolarHBondContact OD2-CB 3.28Å; D31-N34 PolarHBondContact OD2-ND2 2.84Å; N34-C36 VanDerWaalsContact C-N 3.3Å; N34-C36 PolarHBondContact O-N 3.45Å
35	H	98.2	Very high	97.5	Very high	82 Å²	82	66.6 Å²	66.6	38%	0.38	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	39.5	176.4	-57.6	-80.9	0	0	0	114.3	D31 G258 P259	D31-H35 PolarHBondContact O-N 3.46Å; H35-G258 WeakPolarHBondContact CA-O 3.25Å; H35-G258 WeakPolarHBondContact CB-O 3.42Å; H35-G258 PolarHBondContact ND1-N 2.61Å; H35-G258 PolarHBondContact ND1-O 3.19Å; H35-P259 WeakPolarHBondContact O-CA 3.09Å
36	C	98.4	Very high	98.1	Very high	25 Å²	25	60.5 Å²	60.5	17%	0.169	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	169.5	-178	66.9	0	0	0	0	111.8	D31 N34	D31-C36 PolarHBondContact N-O 3.22Å; D31-C36 PolarHBondContact O-N 3.42Å; N34-C36 VanDerWaalsContact C-N 3.3Å; N34-C36 PolarHBondContact O-N 3.45Å
37	F	98.8	Very high	98.3	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	152.3	163.2	-65.3	-74.4	0	0	0	109.8	F28 S29 I30 P43 F44 Y46 V212 P259 V261	F28-F37 HydrophobicContact CE1-CB 4.31Å; F28-F37 AromaticContact CE1-CD1 3.55Å; F28-F37 HydrophobicContact CE1-CD1 3.55Å; F28-F37 HydrophobicContact CE1-CE1 4.04Å; F28-F37 HydrophobicContact CE1-CG 4.03Å; F28-F37 HydrophobicContact CE2-CB 4.32Å; F28-F37 HydrophobicContact CZ-CB 3.79Å; F28-F37 AromaticContact CZ-CD1 3.77Å; F28-F37 HydrophobicContact CZ-CD1 3.77Å; F28-F37 HydrophobicContact CZ-CD2 4.39Å; F28-F37 HydrophobicContact CZ-CE1 4.44Å; F28-F37 AromaticContact CZ-CG 3.73Å; F28-F37 HydrophobicContact CZ-CG 3.73Å; S29-F37 CarbonylContact O-C 3.53Å; S29-F37 WeakPolarHBondContact O-CA 3.27Å; I30-F37 HydrophobicContact CD1-CE1 4.18Å; I30-F37 HydrophobicContact CG1-CD1 3.77Å; I30-F37 HydrophobicContact CG1-CE1 3.57Å; F37-P43 CarbonylContact O-C 3.58Å; F37-P43 WeakPolarHBondContact O-CA 3.45Å; F37-F44 HydrophobicContact CB-CB 4.35Å; F37-F44 HydrophobicContact CB-CD1 4.34Å; F37-F44 WeakPolarHBondContact CB-O 3.42Å; F37-F44 PolarHBondContact N-O 2.89Å; F37-F44 PolarHBondContact O-N 3.24Å; F37-Y46 HydrophobicContact CD2-CD1 4.16Å; F37-Y46 HydrophobicContact CD2-CE1 4.01Å; F37-Y46 AromaticContact CE2-CD1 3.95Å; F37-Y46 HydrophobicContact CE2-CD1 3.95Å; F37-Y46 AromaticContact CE2-CE1 3.34Å; F37-Y46 HydrophobicContact CE2-CE1 3.34Å; F37-Y46 AromaticContact CZ-CE1 3.85Å; F37-Y46 HydrophobicContact CZ-CE1 3.85Å; F37-V212 HydrophobicContact CE1-CG1 4.39Å; F37-P259 HydrophobicContact CD1-CG 4.03Å; F37-P259 HydrophobicContact CD2-CB 3.94Å; F37-P259 HydrophobicContact CD2-CG 3.79Å; F37-P259 HydrophobicContact CE1-CG 3.68Å; F37-P259 HydrophobicContact CE2-CB 3.71Å; F37-P259 HydrophobicContact CE2-CG 3.39Å; F37-P259 HydrophobicContact CG-CG 4.09Å; F37-P259 HydrophobicContact CZ-CB 4.18Å; F37-P259 HydrophobicContact CZ-CG 3.34Å; F37-V261 HydrophobicContact CE2-CG2 3.98Å; F37-V261 HydrophobicContact CZ-CG2 4.05Å
38	L	98.7	Very high	98.3	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.178	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.7	165.3	-60.8	177.2	0	0	0	109.1	F28 S29 D31 K42 P43	F28-L38 VanDerWaalsContact CA-O 3.3Å; F28-L38 WeakPolarHBondContact CA-O 3.28Å; S29-L38 PolarHBondContact N-O 2.95Å; S29-L38 PolarHBondContact O-N 3.35Å; D31-L38 HydrophobicContact CB-CD1 3.84Å; D31-L38 HydrophobicContact CB-CD2 4.24Å; D31-L38 HydrophobicContact CB-CG 3.75Å; L38-K42 CarbonylContact C-O 3.52Å; L38-K42 VanDerWaalsContact CA-O 3.25Å; L38-K42 WeakPolarHBondContact CA-O 3.41Å; L38-P43 HydrophobicContact CD2-CG 4.36Å
39	K	98.5	Very high	98.3	Very high	48 Å²	48	54 Å²	54	21%	0.209	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.5	167.9	-177.6	-176.4	172.3	-62.6	0	108.1	F28 G41 K42 F44 L113 Y170	F28-K39 HydrophobicContact CD2-CB 4Å; F28-K39 HydrophobicContact CD2-CG 4.22Å; F28-K39 HydrophobicContact CE2-CB 4.28Å; K39-G41 PolarHBondContact O-N 2.79Å; K39-K42 PolarHBondContact N-O 3.06Å; K39-K42 PolarHBondContact O-N 2.73Å; K39-F44 HydrophobicContact CB-CB 3.72Å; K39-F44 HydrophobicContact CB-CD1 4.37Å; K39-F44 HydrophobicContact CB-CD2 3.93Å; K39-F44 HydrophobicContact CB-CG 3.74Å; K39-F44 HydrophobicContact CD-CD2 3.85Å; K39-F44 HydrophobicContact CD-CE2 3.88Å; K39-F44 HydrophobicContact CD-CG 4.36Å; K39-F44 HydrophobicContact CD-CZ 4.41Å; K39-L113 HydrophobicContact CD-CD1 4.02Å; K39-Y170 VanDerWaalsContact CE-CZ 3.48Å; K39-Y170 VanDerWaalsContact CE-OH 3.22Å; K39-Y170 WeakPolarHBondContact CE-OH 3.35Å; K39-Y170 HydrophobicContact CG-CE1 4.24Å; K39-Y170 PolarHBondContact NZ-OH 3.35Å
40	D	98.1	Very high	98.4	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.283	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	41.1	-175	-45.2	-53.6	0	0	0	112.1	R26 S27 K42 Y170	R26-D40 WeakPolarHBondContact CA-OD1 3.44Å; S27-D40 PolarHBondContact N-OD1 3.39Å; S27-D40 PolarHBondContact O-N 2.91Å; D40-K42 VanDerWaalsContact C-N 3.27Å; D40-K42 PolarHBondContact O-N 3.25Å; D40-Y170 VanDerWaalsContact OD1-CE1 3.23Å; D40-Y170 WeakPolarHBondContact OD1-CE1 3.47Å; D40-Y170 PolarHBondContact OD1-OH 2.62Å; D40-Y170 PolarHBondContact OD2-OH 3.22Å
41	G	97.1	Very high	98.4	Very high	54 Å²	54	50.7 Å²	50.7	56%	0.557	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	4.1	-178.8	0	0	0	0	0	115.7	K39	K39-G41 PolarHBondContact O-N 2.79Å
42	K	97.9	Very high	98.4	Very high	150 Å²	150	49.4 Å²	49.4	65%	0.652	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	142	179.5	-63.9	-178.7	-179.7	179.1	0	111.7	L38 K39 D40 F44	L38-K42 CarbonylContact C-O 3.52Å; L38-K42 VanDerWaalsContact CA-O 3.25Å; L38-K42 WeakPolarHBondContact CA-O 3.41Å; K39-K42 PolarHBondContact N-O 3.06Å; K39-K42 PolarHBondContact O-N 2.73Å; D40-K42 VanDerWaalsContact C-N 3.27Å; D40-K42 PolarHBondContact O-N 3.25Å; K42-F44 PolarHBondContact O-N 3.39Å
43	P	98.3	Very high	98.4	Very high	106 Å²	106	44.3 Å²	44.3	69%	0.688	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-49.9	133.2	172.9	-28	35.6	0	0	0	111.9	F37 L38	F37-P43 CarbonylContact O-C 3.58Å; F37-P43 WeakPolarHBondContact O-CA 3.45Å; L38-P43 HydrophobicContact CD2-CG 4.36Å
44	F	98.6	Very high	98.5	Very high	37 Å²	37	36.8 Å²	36.8	16%	0.162	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.6	-173.9	-177.2	-97	0	0	0	110.6	F28 F37 K39 K42 L113 I177	F28-F44 AromaticContact CE2-CD1 3.55Å; F28-F44 HydrophobicContact CE2-CD1 3.55Å; F28-F44 AromaticContact CE2-CE1 3.82Å; F28-F44 HydrophobicContact CE2-CE1 3.82Å; F28-F44 HydrophobicContact CE2-CG 4.39Å; F28-F44 HydrophobicContact CZ-CD1 4.07Å; F28-F44 HydrophobicContact CZ-CE1 4.32Å; F37-F44 HydrophobicContact CB-CB 4.35Å; F37-F44 HydrophobicContact CB-CD1 4.34Å; F37-F44 WeakPolarHBondContact CB-O 3.42Å; F37-F44 PolarHBondContact N-O 2.89Å; F37-F44 PolarHBondContact O-N 3.24Å; K39-F44 HydrophobicContact CB-CB 3.72Å; K39-F44 HydrophobicContact CB-CD1 4.37Å; K39-F44 HydrophobicContact CB-CD2 3.93Å; K39-F44 HydrophobicContact CB-CG 3.74Å; K39-F44 HydrophobicContact CD-CD2 3.85Å; K39-F44 HydrophobicContact CD-CE2 3.88Å; K39-F44 HydrophobicContact CD-CG 4.36Å; K39-F44 HydrophobicContact CD-CZ 4.41Å; K42-F44 PolarHBondContact O-N 3.39Å; F44-L113 HydrophobicContact CE1-CD1 4.13Å; F44-L113 HydrophobicContact CE2-CD1 4.03Å; F44-L113 HydrophobicContact CZ-CD1 3.44Å; F44-L113 VanDerWaalsContact CZ-CD1 3.44Å; F44-I177 HydrophobicContact CE1-CD1 4.19Å
45	Q	98.6	Very high	98.6	Very high	55 Å²	55	32 Å²	32	26%	0.257	18%	0.176	S	C	.	.			trans	-127.6	125.2	173.3	-177.7	-172.6	27.3	0	0	106.8	N74 G296 A297	Q45-N74 PolarHBondContact O-ND2 3.33Å; Q45-G296 VanDerWaalsContact NE2-C 3.31Å; Q45-A297 PolarHBondContact NE2-O 3.49Å
46	Y	98.8	Very high	98.6	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.012	16%	0.159	C	C	.	.			trans	-88.2	140.8	170.7	59.4	-103.2	0	0	0	111	F37 N74 I115 I177 V261 S298 V299	F37-Y46 HydrophobicContact CD2-CD1 4.16Å; F37-Y46 HydrophobicContact CD2-CE1 4.01Å; F37-Y46 AromaticContact CE2-CD1 3.95Å; F37-Y46 HydrophobicContact CE2-CD1 3.95Å; F37-Y46 AromaticContact CE2-CE1 3.34Å; F37-Y46 HydrophobicContact CE2-CE1 3.34Å; F37-Y46 AromaticContact CZ-CE1 3.85Å; F37-Y46 HydrophobicContact CZ-CE1 3.85Å; Y46-N74 VanDerWaalsContact CA-OD1 3.3Å; Y46-N74 WeakPolarHBondContact CA-OD1 3.31Å; Y46-I115 HydrophobicContact CD1-CD1 4.41Å; Y46-I115 HydrophobicContact CD2-CD1 3.73Å; Y46-I115 HydrophobicContact CE1-CD1 4.43Å; Y46-I115 HydrophobicContact CE2-CD1 3.78Å; Y46-I115 HydrophobicContact CG-CD1 4.06Å; Y46-I177 HydrophobicContact CD1-CD1 4.32Å; Y46-V261 WeakPolarHBondContact OH-CG1 3.39Å; Y46-S298 VanDerWaalsContact CE2-CB 3.48Å; Y46-S298 PolarHBondContact N-OG 2.62Å; Y46-S298 WeakPolarHBondContact O-CA 3.43Å; Y46-V299 PolarHBondContact O-N 3.03Å
47	I	98.9	Very high	98.6	Very high	2 Å²	2	28 Å²	28	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	102.4	166.3	-51.6	-179.6	0	0	0	104.6	L73 N74 L293 V299 M301 I352 R356	I47-L73 HydrophobicContact CG2-CD2 3.97Å; I47-L73 WeakPolarHBondContact O-CA 3.35Å; I47-L73 WeakPolarHBondContact O-CB 3.37Å; I47-N74 PolarHBondContact N-OD1 3.47Å; I47-N74 PolarHBondContact O-N 2.97Å; I47-N74 PolarHBondContact O-OD1 2.93Å; I47-L293 HydrophobicContact CD1-CD1 3.91Å; I47-L293 HydrophobicContact CD1-CD2 3.75Å; I47-L293 HydrophobicContact CG1-CD2 3.78Å; I47-V299 HydrophobicContact CG2-CG1 4.19Å; I47-M301 HydrophobicContact CG2-CE 3.92Å; I47-I352 HydrophobicContact CD1-CG1 4.44Å; I47-I352 HydrophobicContact CD1-CG2 4.13Å; I47-I352 HydrophobicContact CG2-CD1 3.81Å; I47-I352 HydrophobicContact CG2-CG1 4.08Å; I47-R356 HydrophobicContact CD1-CG 4.49Å
48	S	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	158.1	-169.4	-178.3	0	0	0	0	111.6	A75 V76 Q77 V299 N300 M301	S48-A75 WeakPolarHBondContact CA-O 3.46Å; S48-V76 VanDerWaalsContact OG-C 3.31Å; S48-V76 WeakPolarHBondContact OG-CA 3.43Å; S48-Q77 PolarHBondContact OG-N 3.47Å; S48-V299 PolarHBondContact N-O 2.82Å; S48-N300 VanDerWaalsContact CB-OD1 3.29Å; S48-N300 WeakPolarHBondContact CB-OD1 3.3Å; S48-N300 CarbonylContact O-C 3.54Å; S48-N300 WeakPolarHBondContact O-CA 3.34Å; S48-N300 PolarHBondContact OG-OD1 2.61Å; S48-M301 WeakPolarHBondContact O-CE 3.46Å; S48-M301 PolarHBondContact O-N 3.22Å
49	G	98.9	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.4	168.8	0	0	0	0	0	110.5	M68 V76 Q77 N300	G49-M68 VanDerWaalsContact O-CE 3.28Å; G49-M68 WeakPolarHBondContact O-CE 3.37Å; G49-V76 WeakPolarHBondContact O-CA 3.45Å; G49-Q77 PolarHBondContact O-N 3.5Å; G49-N300 VanDerWaalsContact C-OD1 3.22Å; G49-N300 WeakPolarHBondContact CA-OD1 3.39Å; G49-N300 PolarHBondContact N-OD1 2.83Å
50	S	99	Very high	98.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.4	174.9	-63.6	0	0	0	0	111	Q77 N300 M301 Y302 M303 F304 E305	S50-Q77 WeakPolarHBondContact CA-O 3.32Å; S50-N300 PolarHBondContact N-OD1 3.22Å; S50-N300 PolarHBondContact OG-ND2 3.2Å; S50-M301 PolarHBondContact N-O 3.02Å; S50-Y302 WeakPolarHBondContact OG-CD2 3.26Å; S50-M303 VanDerWaalsContact CB-SD 3.51Å; S50-M303 WeakPolarHBondContact O-CE 3.27Å; S50-F304 WeakPolarHBondContact O-CB 3.34Å; S50-F304 PolarHBondContact O-N 3.29Å; S50-E305 PolarHBondContact O-N 3.17Å
51	I	98.9	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	129.9	171.9	175.9	170	0	0	0	108	I56 R64 M68 V76 Q77 V78 F103	I51-I56 HydrophobicContact CD1-CD1 3.72Å; I51-I56 HydrophobicContact CG1-CD1 3.55Å; I51-R64 HydrophobicContact CD1-CB 3.61Å; I51-R64 HydrophobicContact CD1-CG 4.45Å; I51-M68 HydrophobicContact CB-CE 4.03Å; I51-M68 HydrophobicContact CB-SD 3.79Å; I51-M68 HydrophobicContact CD1-SD 3.8Å; I51-M68 HydrophobicContact CG1-SD 4.37Å; I51-M68 HydrophobicContact CG2-CE 3.8Å; I51-M68 HydrophobicContact CG2-SD 3.73Å; I51-V76 HydrophobicContact CG2-CB 3.94Å; I51-V76 HydrophobicContact CG2-CG1 4.26Å; I51-V76 HydrophobicContact CG2-CG2 4.45Å; I51-Q77 PolarHBondContact N-O 3.34Å; I51-V78 WeakPolarHBondContact O-CG2 3.49Å; I51-F103 HydrophobicContact CD1-CE2 4.45Å; I51-F103 HydrophobicContact CG2-CZ 3.92Å
52	H	98.9	Very high	98.6	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.023	17%	0.17	C	C	.	.			trans	-108.9	110	-178	-59.6	160.3	0	0	0	110.2	S54 R55 Y79 Y302 M303	H52-S54 PolarHBondContact O-N 3.31Å; H52-S54 VanDerWaalsContact O-N 3.14Å; H52-R55 HydrophobicContact CB-CB 4.25Å; H52-R55 HydrophobicContact CB-CG 4.21Å; H52-R55 PolarHBondContact ND1-NH1 2.95Å; H52-R55 PolarHBondContact O-N 3.32Å; H52-Y79 AromaticContact CE1-CD2 3.57Å; H52-Y79 AromaticContact NE2-CD2 3.36Å; H52-Y79 WeakPolarHBondContact NE2-CD2 3.49Å; H52-Y302 AromaticContact CE1-CE2 3.85Å; H52-Y302 AromaticContact CE1-CZ 3.98Å; H52-Y302 AromaticContact NE2-CE2 3.97Å; H52-M303 WeakPolarHBondContact CE1-CE 3.21Å; H52-M303 PolarHBondContact CE1-SD 3.44Å
53	Y	98.8	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.9	178.7	67	-87.7	0	0	0	112.5	R55 I56 W61 V78 Y79 P81 F84 H85 L100 F103	Y53-R55 PolarHBondContact O-N 3.08Å; Y53-I56 PolarHBondContact O-N 3.18Å; Y53-W61 HydrophobicContact CD2-CH2 4.49Å; Y53-W61 HydrophobicContact CD2-CZ2 4.13Å; Y53-W61 HydrophobicContact CG-CZ2 4.37Å; Y53-W61 PolarHBondContact O-NE1 2.86Å; Y53-V78 HydrophobicContact CD1-CG2 3.5Å; Y53-V78 VanDerWaalsContact CD1-CG2 3.5Å; Y53-V78 HydrophobicContact CE1-CG2 3.79Å; Y53-Y79 VanDerWaalsContact CE1-O 3.27Å; Y53-Y79 WeakPolarHBondContact CE1-O 3.44Å; Y53-P81 WeakPolarHBondContact OH-CD 3.47Å; Y53-F84 HydrophobicContact CD2-CE1 4.39Å; Y53-F84 HydrophobicContact CE2-CD1 4.11Å; Y53-F84 AromaticContact CE2-CE1 3.98Å; Y53-F84 HydrophobicContact CE2-CE1 3.98Å; Y53-H85 AromaticContact CZ-NE2 3.77Å; Y53-H85 PolarHBondContact OH-NE2 2.99Å; Y53-L100 HydrophobicContact CD1-CD1 4.19Å; Y53-L100 HydrophobicContact CE1-CD1 3.71Å; Y53-F103 HydrophobicContact CD1-CD1 4.37Å; Y53-F103 HydrophobicContact CD1-CG 4.48Å; Y53-F103 HydrophobicContact CG-CG 4.39Å
54	S	98.8	Very high	98.7	Very high	12 Å²	12	26.5 Å²	26.5	8%	0.084	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-71.4	-12.3	175.7	62.2	0	0	0	0	114.2	H52	H52-S54 PolarHBondContact O-N 3.31Å; H52-S54 VanDerWaalsContact O-N 3.14Å
55	R	98.9	Very high	98.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-107.1	-1.8	179.4	-72	-170.7	163.3	133.9	2.8	113.9	H52 Y53 A124 E125 W126 G306 T308 N309 Y329	H52-R55 HydrophobicContact CB-CB 4.25Å; H52-R55 HydrophobicContact CB-CG 4.21Å; H52-R55 PolarHBondContact ND1-NH1 2.95Å; H52-R55 PolarHBondContact O-N 3.32Å; Y53-R55 PolarHBondContact O-N 3.08Å; R55-A124 VanDerWaalsContact CZ-O 3.32Å; R55-A124 PolarHBondContact NH1-O 3.4Å; R55-A124 PolarHBondContact NH2-O 2.87Å; R55-E125 PolarHBondContact NH2-O 2.97Å; R55-W126 HydrophobicContact CG-CE3 4.42Å; R55-W126 HydrophobicContact CG-CZ3 3.94Å; R55-G306 WeakPolarHBondContact CB-O 3.13Å; R55-G306 WeakPolarHBondContact CD-O 3.47Å; R55-T308 WeakPolarHBondContact CA-O 3.5Å; R55-T308 WeakPolarHBondContact CB-O 3.26Å; R55-T308 PolarHBondContact O-N 3.37Å; R55-N309 VanDerWaalsContact CZ-OD1 3.24Å; R55-N309 PolarHBondContact NE-OD1 3.38Å; R55-N309 PolarHBondContact NH2-OD1 3.05Å; R55-Y329 VanDerWaalsContact CZ-CD1 3.47Å; R55-Y329 PolarHBondContact NH1-OH 2.87Å
56	I	98.8	Very high	98.7	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	11%	0.112	C	C	.	.	S	Bend	trans	-133.4	127.6	-174.9	-59.6	166	0	0	0	107.4	I51 Y53 Q58 W61 R64 E305	I51-I56 HydrophobicContact CD1-CD1 3.72Å; I51-I56 HydrophobicContact CG1-CD1 3.55Å; Y53-I56 PolarHBondContact O-N 3.18Å; I56-Q58 PolarHBondContact O-N 2.79Å; I56-W61 PolarHBondContact O-NE1 3.37Å; I56-R64 HydrophobicContact CD1-CG 4.24Å; I56-R64 HydrophobicContact CG2-CG 4.02Å; I56-E305 HydrophobicContact CD1-CG 4.06Å
57	P	98.1	Very high	98.7	Very high	17 Å²	17	24.1 Å²	24.1	11%	0.11	11%	0.111	C	C	.	.			trans	-57.4	141.9	176.5	-23.7	33.8	0	0	0	111.6	Y59 Y60 F310 P593	P57-Y59 PolarHBondContact O-N 3Å; P57-Y60 PolarHBondContact O-N 3.24Å; P57-F310 HydrophobicContact CG-CE2 4.15Å; P57-F310 HydrophobicContact CG-CZ 4.32Å; P57-P593 HydrophobicContact CG-CB 4.02Å; P57-P593 HydrophobicContact CG-CG 3.68Å
58	Q	98.1	Very high	98.7	Very high	57 Å²	57	24 Å²	24	27%	0.266	11%	0.111	S	C	.	.	H	α-helix	trans	-50.3	-37.2	-178	176.3	-179.4	12.4	0	0	112.9	I56 Y60 W61 G96 D97 H102	I56-Q58 PolarHBondContact O-N 2.79Å; Q58-Y60 PolarHBondContact O-N 2.96Å; Q58-Y60 VanDerWaalsContact O-N 3.08Å; Q58-W61 VanDerWaalsContact CA-CE2 3.47Å; Q58-W61 HydrophobicContact CB-CD2 4.17Å; Q58-W61 HydrophobicContact CB-CE3 4.19Å; Q58-W61 HydrophobicContact CB-CH2 3.95Å; Q58-W61 HydrophobicContact CB-CZ2 3.92Å; Q58-W61 HydrophobicContact CB-CZ3 4.1Å; Q58-W61 HydrophobicContact CG-CD2 4.17Å; Q58-W61 HydrophobicContact CG-CE3 3.73Å; Q58-W61 HydrophobicContact CG-CH2 3.99Å; Q58-W61 HydrophobicContact CG-CZ2 4.39Å; Q58-W61 HydrophobicContact CG-CZ3 3.65Å; Q58-W61 PolarHBondContact O-N 2.77Å; Q58-G96 VanDerWaalsContact OE1-CA 3.31Å; Q58-G96 PolarHBondContact OE1-O 3.28Å; Q58-D97 VanDerWaalsContact CB-OD1 3.31Å; Q58-D97 WeakPolarHBondContact CB-OD1 3.41Å; Q58-D97 PolarHBondContact N-OD1 3.44Å; Q58-H102 PolarHBondContact NE2-CD2 2.67Å; Q58-H102 PolarHBondContact NE2-NE2 2.85Å
59	Y	97.3	Very high	98.7	Very high	172 Å²	172	28 Å²	28	68%	0.675	13%	0.127	S	C	*	.	H	α-helix	trans	-52.1	-32.4	177.1	-173.1	-89	0	0	0	113.2	P57 P595	P57-Y59 PolarHBondContact O-N 3Å; Y59-P595 HydrophobicContact CD1-CB 4.25Å; Y59-P595 HydrophobicContact CD1-CG 3.2Å; Y59-P595 HydrophobicContact CD2-CB 4.26Å; Y59-P595 HydrophobicContact CD2-CG 4.01Å; Y59-P595 HydrophobicContact CE1-CG 3.57Å; Y59-P595 HydrophobicContact CE2-CG 4.32Å; Y59-P595 HydrophobicContact CG-CB 4Å; Y59-P595 HydrophobicContact CG-CG 3.44Å; Y59-P595 VanDerWaalsContact CG-CG 3.44Å
60	Y	98.8	Very high	98.7	Very high	20 Å²	20	29 Å²	29	8%	0.078	13%	0.131	C	C	.	.	H	α-helix	trans	-98.6	-11.3	-175.4	-73.7	-44.8	0	0	0	115.1	P57 Q58 K62 D63 R64 T367 D557 Y591 P593 P595	P57-Y60 PolarHBondContact O-N 3.24Å; Q58-Y60 PolarHBondContact O-N 2.96Å; Q58-Y60 VanDerWaalsContact O-N 3.08Å; Y60-K62 VanDerWaalsContact C-N 3.27Å; Y60-K62 PolarHBondContact O-N 3.06Å; Y60-K62 VanDerWaalsContact O-N 3.13Å; Y60-D63 WeakPolarHBondContact O-CB 3.46Å; Y60-D63 PolarHBondContact O-N 3.44Å; Y60-R64 VanDerWaalsContact CB-CZ 3.47Å; Y60-R64 VanDerWaalsContact CD2-NH2 3.27Å; Y60-R64 VanDerWaalsContact CG-NH2 3.27Å; Y60-R64 VanDerWaalsContact O-CG 3.31Å; Y60-R64 WeakPolarHBondContact O-CG 3.33Å; Y60-R64 PolarHBondContact O-N 2.98Å; Y60-R64 VanDerWaalsContact O-N 3.08Å; Y60-T367 HydrophobicContact CE1-CG2 4.1Å; Y60-D557 VanDerWaalsContact OH-CG 3.29Å; Y60-D557 PolarHBondContact OH-OD1 3.43Å; Y60-D557 PolarHBondContact OH-OD2 3.3Å; Y60-Y591 VanDerWaalsContact CE2-OH 3.27Å; Y60-Y591 WeakPolarHBondContact CE2-OH 3.41Å; Y60-P593 HydrophobicContact CE2-CB 4Å; Y60-P595 HydrophobicContact CE2-CG 4.24Å; Y60-P595 VanDerWaalsContact OH-CD 3.3Å; Y60-P595 WeakPolarHBondContact OH-CD 3.5Å
61	W	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-50.5	-46.1	-176.5	-67.9	-13	0	0	0	113.1	Y53 I56 Q58 D63 R64 L65 D97 D99 H102 F103 L106	Y53-W61 HydrophobicContact CD2-CH2 4.49Å; Y53-W61 HydrophobicContact CD2-CZ2 4.13Å; Y53-W61 HydrophobicContact CG-CZ2 4.37Å; Y53-W61 PolarHBondContact O-NE1 2.86Å; I56-W61 PolarHBondContact O-NE1 3.37Å; Q58-W61 VanDerWaalsContact CA-CE2 3.47Å; Q58-W61 HydrophobicContact CB-CD2 4.17Å; Q58-W61 HydrophobicContact CB-CE3 4.19Å; Q58-W61 HydrophobicContact CB-CH2 3.95Å; Q58-W61 HydrophobicContact CB-CZ2 3.92Å; Q58-W61 HydrophobicContact CB-CZ3 4.1Å; Q58-W61 HydrophobicContact CG-CD2 4.17Å; Q58-W61 HydrophobicContact CG-CE3 3.73Å; Q58-W61 HydrophobicContact CG-CH2 3.99Å; Q58-W61 HydrophobicContact CG-CZ2 4.39Å; Q58-W61 HydrophobicContact CG-CZ3 3.65Å; Q58-W61 PolarHBondContact O-N 2.77Å; W61-D63 PolarHBondContact O-N 3.5Å; W61-R64 PolarHBondContact O-N 2.97Å; W61-L65 WeakPolarHBondContact O-CB 3.25Å; W61-L65 WeakPolarHBondContact O-CD1 3.23Å; W61-L65 VanDerWaalsContact O-CG 3.23Å; W61-L65 WeakPolarHBondContact O-CG 3.22Å; W61-L65 PolarHBondContact O-N 2.83Å; W61-D97 WeakPolarHBondContact CZ2-O 3.43Å; W61-D99 HydrophobicContact CH2-CB 4.49Å; W61-D99 WeakPolarHBondContact CZ3-O 3.36Å; W61-H102 AromaticContact CE3-CD2 3.89Å; W61-H102 HydrophobicContact CZ3-CB 4.43Å; W61-H102 AromaticContact CZ3-CD2 3.79Å; W61-F103 HydrophobicContact CB-CD2 4.14Å; W61-F103 HydrophobicContact CB-CE2 4.43Å; W61-F103 HydrophobicContact CD2-CB 4.4Å; W61-F103 AromaticContact CD2-CD2 3.73Å; W61-F103 HydrophobicContact CD2-CD2 3.73Å; W61-F103 HydrophobicContact CE3-CB 3.85Å; W61-F103 AromaticContact CE3-CD2 3.97Å; W61-F103 HydrophobicContact CE3-CD2 3.97Å; W61-F103 HydrophobicContact CE3-CG 4.43Å; W61-F103 AromaticContact CG-CD2 3.81Å; W61-F103 HydrophobicContact CG-CD2 3.81Å; W61-F103 HydrophobicContact CG-CE2 4.28Å; W61-F103 HydrophobicContact CH2-CB 4.45Å; W61-F103 HydrophobicContact CZ3-CB 3.87Å; W61-L106 HydrophobicContact CB-CD1 3.86Å; W61-L106 HydrophobicContact CE3-CD1 4.17Å
62	K	98.7	Very high	98.6	Very high	120 Å²	120	29 Å²	29	52%	0.522	13%	0.131	S	C	.	.	H	α-helix	trans	-63.6	-42.2	179.2	-173.4	173.9	-177.9	174.5	0	112.5	Y60 R64 V66 L106	Y60-K62 VanDerWaalsContact C-N 3.27Å; Y60-K62 PolarHBondContact O-N 3.06Å; Y60-K62 VanDerWaalsContact O-N 3.13Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 2.87Å; K62-V66 HydrophobicContact CG-CG2 4.34Å; K62-V66 WeakPolarHBondContact O-CB 3.24Å; K62-V66 WeakPolarHBondContact O-CG2 3.26Å; K62-V66 PolarHBondContact O-N 3.21Å; K62-L106 HydrophobicContact CB-CD1 4.42Å; K62-L106 HydrophobicContact CB-CD2 4.46Å
63	D	98.8	Very high	98.6	Very high	48 Å²	48	28.8 Å²	28.8	26%	0.257	13%	0.13	S	C	.	.	H	α-helix	trans	-59.5	-45.8	177.9	175.5	80.2	0	0	0	110.9	Y60 W61 V66 K67	Y60-D63 WeakPolarHBondContact O-CB 3.46Å; Y60-D63 PolarHBondContact O-N 3.44Å; W61-D63 PolarHBondContact O-N 3.5Å; D63-V66 PolarHBondContact O-N 2.93Å; D63-K67 WeakPolarHBondContact O-CG 3.26Å; D63-K67 PolarHBondContact O-N 2.62Å; D63-K67 VanDerWaalsContact O-N 3.08Å; D63-K67 IonicContact OD1-NZ 2.66Å; D63-K67 VanDerWaalsContact OD2-CE 3.3Å; D63-K67 WeakPolarHBondContact OD2-CE 3.21Å; D63-K67 IonicContact OD2-NZ 2.71Å; D63-K67 PolarHBondContact OD2-NZ 3.49Å
64	R	98.8	Very high	98.6	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-49.1	-178.3	-54	-32.2	-171.3	-126	-3.7	111.5	I51 I56 Y60 W61 K62 V66 K67 M68 E305 A338	I51-R64 HydrophobicContact CD1-CB 3.61Å; I51-R64 HydrophobicContact CD1-CG 4.45Å; I56-R64 HydrophobicContact CD1-CG 4.24Å; I56-R64 HydrophobicContact CG2-CG 4.02Å; Y60-R64 VanDerWaalsContact CB-CZ 3.47Å; Y60-R64 VanDerWaalsContact CD2-NH2 3.27Å; Y60-R64 VanDerWaalsContact CG-NH2 3.27Å; Y60-R64 VanDerWaalsContact O-CG 3.31Å; Y60-R64 WeakPolarHBondContact O-CG 3.33Å; Y60-R64 PolarHBondContact O-N 2.98Å; Y60-R64 VanDerWaalsContact O-N 3.08Å; W61-R64 PolarHBondContact O-N 2.97Å; K62-R64 VanDerWaalsContact C-N 3.31Å; K62-R64 PolarHBondContact O-N 2.87Å; R64-V66 VanDerWaalsContact C-N 3.3Å; R64-V66 PolarHBondContact O-N 3.17Å; R64-K67 PolarHBondContact O-N 2.92Å; R64-K67 VanDerWaalsContact O-N 3.15Å; R64-M68 VanDerWaalsContact O-CG 3.29Å; R64-M68 WeakPolarHBondContact O-CG 3.39Å; R64-M68 PolarHBondContact O-N 3.43Å; R64-E305 WeakPolarHBondContact CB-OE2 3.38Å; R64-E305 WeakPolarHBondContact CD-OE1 3.33Å; R64-E305 WeakPolarHBondContact CD-OE2 3.48Å; R64-E305 WeakPolarHBondContact CG-OE1 3.19Å; R64-E305 WeakPolarHBondContact CG-OE2 3.18Å; R64-E305 IonicContact NE-OE1 2.79Å; R64-E305 PolarHBondContact NE-OE1 3.13Å; R64-E305 IonicContact NE-OE2 3.11Å; R64-A338 PolarHBondContact NH2-O 2.97Å
65	L	98.9	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-38.9	177.2	-70.7	168.3	0	0	0	112.2	W61 M68 Y69 V76 F103 L106 A107 T110 L112	W61-L65 WeakPolarHBondContact O-CB 3.25Å; W61-L65 WeakPolarHBondContact O-CD1 3.23Å; W61-L65 VanDerWaalsContact O-CG 3.23Å; W61-L65 WeakPolarHBondContact O-CG 3.22Å; W61-L65 PolarHBondContact O-N 2.83Å; L65-M68 WeakPolarHBondContact O-CB 3.25Å; L65-M68 PolarHBondContact O-N 2.95Å; L65-Y69 WeakPolarHBondContact O-CB 3.36Å; L65-Y69 PolarHBondContact O-N 3.42Å; L65-V76 HydrophobicContact CD2-CG1 4.08Å; L65-V76 HydrophobicContact CD2-CG2 4.33Å; L65-F103 HydrophobicContact CD1-CE2 4.11Å; L65-F103 HydrophobicContact CD2-CE2 4.31Å; L65-F103 HydrophobicContact CD2-CZ 4.07Å; L65-F103 HydrophobicContact CG-CE2 4.37Å; L65-L106 HydrophobicContact CD1-CB 3.79Å; L65-A107 HydrophobicContact CD1-CB 4.25Å; L65-A107 HydrophobicContact CD2-CB 4.23Å; L65-T110 HydrophobicContact CB-CG2 4.31Å; L65-L112 HydrophobicContact CB-CD1 4.18Å; L65-L112 HydrophobicContact CD2-CD1 3.93Å; L65-L112 WeakPolarHBondContact O-CD1 3.19Å
66	V	98.8	Very high	98.7	Very high	44 Å²	44	29 Å²	29	27%	0.267	13%	0.131	S	C	.	.	H	α-helix	trans	-67.2	-41.7	176.8	174.4	0	0	0	0	111.1	K62 D63 R64 M68 Y69 M70 T110 P364	K62-V66 HydrophobicContact CG-CG2 4.34Å; K62-V66 WeakPolarHBondContact O-CB 3.24Å; K62-V66 WeakPolarHBondContact O-CG2 3.26Å; K62-V66 PolarHBondContact O-N 3.21Å; D63-V66 PolarHBondContact O-N 2.93Å; R64-V66 VanDerWaalsContact C-N 3.3Å; R64-V66 PolarHBondContact O-N 3.17Å; V66-M68 VanDerWaalsContact C-N 3.34Å; V66-M68 PolarHBondContact O-N 3.07Å; V66-Y69 PolarHBondContact O-N 2.85Å; V66-M70 HydrophobicContact CG1-CG 4.12Å; V66-M70 VanDerWaalsContact O-CB 3.3Å; V66-M70 WeakPolarHBondContact O-CB 3.3Å; V66-M70 WeakPolarHBondContact O-CG 3.46Å; V66-M70 PolarHBondContact O-N 3.49Å; V66-T110 HydrophobicContact CG2-CG2 4.09Å; V66-P364 HydrophobicContact CG1-CG 3.82Å
67	K	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-43.1	175.1	-72.7	167.2	175.8	167.3	0	111.9	D63 R64 M70 T71 L335 G339 P341 M363 P364 P365	D63-K67 WeakPolarHBondContact O-CG 3.26Å; D63-K67 PolarHBondContact O-N 2.62Å; D63-K67 VanDerWaalsContact O-N 3.08Å; D63-K67 IonicContact OD1-NZ 2.66Å; D63-K67 VanDerWaalsContact OD2-CE 3.3Å; D63-K67 WeakPolarHBondContact OD2-CE 3.21Å; D63-K67 IonicContact OD2-NZ 2.71Å; D63-K67 PolarHBondContact OD2-NZ 3.49Å; R64-K67 PolarHBondContact O-N 2.92Å; R64-K67 VanDerWaalsContact O-N 3.15Å; K67-M70 PolarHBondContact O-N 2.81Å; K67-T71 PolarHBondContact O-N 3.19Å; K67-T71 PolarHBondContact O-OG1 2.94Å; K67-L335 HydrophobicContact CB-CD1 4.08Å; K67-L335 HydrophobicContact CB-CD2 4.25Å; K67-L335 HydrophobicContact CD-CD2 4.06Å; K67-G339 PolarHBondContact NZ-O 2.98Å; K67-P341 HydrophobicContact CD-CG 4.43Å; K67-M363 HydrophobicContact CB-SD 4.03Å; K67-M363 HydrophobicContact CG-SD 4.06Å; K67-P364 HydrophobicContact CG-CB 3.83Å; K67-P364 HydrophobicContact CG-CG 3.98Å; K67-P365 WeakPolarHBondContact CE-O 3.25Å; K67-P365 PolarHBondContact NZ-O 3.45Å
68	M	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-51.1	174	-71.1	-179.7	82.4	0	0	112	G49 I51 R64 L65 V66 M70 T71 L73 V76 F304 L335	G49-M68 VanDerWaalsContact O-CE 3.28Å; G49-M68 WeakPolarHBondContact O-CE 3.37Å; I51-M68 HydrophobicContact CB-CE 4.03Å; I51-M68 HydrophobicContact CB-SD 3.79Å; I51-M68 HydrophobicContact CD1-SD 3.8Å; I51-M68 HydrophobicContact CG1-SD 4.37Å; I51-M68 HydrophobicContact CG2-CE 3.8Å; I51-M68 HydrophobicContact CG2-SD 3.73Å; R64-M68 VanDerWaalsContact O-CG 3.29Å; R64-M68 WeakPolarHBondContact O-CG 3.39Å; R64-M68 PolarHBondContact O-N 3.43Å; L65-M68 WeakPolarHBondContact O-CB 3.25Å; L65-M68 PolarHBondContact O-N 2.95Å; V66-M68 VanDerWaalsContact C-N 3.34Å; V66-M68 PolarHBondContact O-N 3.07Å; M68-M70 PolarHBondContact O-N 2.91Å; M68-T71 WeakPolarHBondContact O-CB 3.47Å; M68-T71 PolarHBondContact O-N 3Å; M68-T71 VanDerWaalsContact O-N 3.17Å; M68-L73 HydrophobicContact CB-CD1 3.96Å; M68-L73 HydrophobicContact CE-CD1 3.84Å; M68-L73 HydrophobicContact CG-CD1 4.37Å; M68-L73 WeakPolarHBondContact O-CG 3.17Å; M68-V76 HydrophobicContact CE-CB 4.26Å; M68-V76 HydrophobicContact CE-CG1 3.56Å; M68-V76 HydrophobicContact SD-CG1 4.11Å; M68-F304 HydrophobicContact CB-CE1 4.43Å; M68-F304 HydrophobicContact CE-CB 3.86Å; M68-F304 HydrophobicContact CE-CD1 3.98Å; M68-F304 HydrophobicContact CE-CG 3.99Å; M68-F304 HydrophobicContact CG-CD1 3.55Å; M68-F304 HydrophobicContact CG-CE1 3.72Å; M68-F304 HydrophobicContact CG-CG 4.41Å; M68-F304 HydrophobicContact SD-CD1 4.32Å; M68-L335 HydrophobicContact CG-CD1 4.18Å
69	Y	98.8	Very high	98.7	Very high	85 Å²	85	25.5 Å²	25.5	33%	0.333	11%	0.113	S	C	.	.	H	α-helix	trans	-58.5	-47.4	175.5	174.2	-105.4	0	0	0	112.1	L65 V66 T71 G72 T110 L112 P359	L65-Y69 WeakPolarHBondContact O-CB 3.36Å; L65-Y69 PolarHBondContact O-N 3.42Å; V66-Y69 PolarHBondContact O-N 2.85Å; Y69-T71 PolarHBondContact O-N 3.09Å; Y69-G72 WeakPolarHBondContact O-CA 3.34Å; Y69-G72 PolarHBondContact O-N 3.4Å; Y69-T110 HydrophobicContact CG-CG2 4.07Å; Y69-L112 HydrophobicContact CD2-CD2 4.22Å; Y69-L112 HydrophobicContact CD2-CG 4.34Å; Y69-P359 HydrophobicContact CD1-CB 4.21Å; Y69-P359 HydrophobicContact CD1-CG 3.68Å; Y69-P359 HydrophobicContact CD2-CG 4.32Å; Y69-P359 HydrophobicContact CE1-CB 3.67Å; Y69-P359 HydrophobicContact CE1-CG 3.25Å; Y69-P359 HydrophobicContact CE2-CG 3.96Å; Y69-P359 HydrophobicContact CG-CG 4.2Å; Y69-P359 VanDerWaalsContact CZ-CG 3.41Å; Y69-P359 WeakPolarHBondContact O-CG 3.44Å
70	M	98.6	Very high	98.8	Very high	20 Å²	20	17.3 Å²	17.3	10%	0.099	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-33	179.2	-73.8	-60.2	-71.7	0	0	111.5	V66 K67 M68 G72 R349 P359 A360 G361 P362 M363 P364	V66-M70 HydrophobicContact CG1-CG 4.12Å; V66-M70 VanDerWaalsContact O-CB 3.3Å; V66-M70 WeakPolarHBondContact O-CB 3.3Å; V66-M70 WeakPolarHBondContact O-CG 3.46Å; V66-M70 PolarHBondContact O-N 3.49Å; K67-M70 PolarHBondContact O-N 2.81Å; M68-M70 PolarHBondContact O-N 2.91Å; M70-G72 PolarHBondContact O-N 2.7Å; M70-R349 PolarHBondContact O-NH1 3.1Å; M70-R349 PolarHBondContact O-NH2 3.29Å; M70-P359 HydrophobicContact CE-CB 4.39Å; M70-P359 HydrophobicContact SD-CB 3.58Å; M70-P359 VanDerWaalsContact SD-CB 3.58Å; M70-P359 HydrophobicContact SD-CG 4.47Å; M70-A360 WeakPolarHBondContact CE-O 3.48Å; M70-G361 WeakPolarHBondContact CE-O 3.31Å; M70-P362 VanDerWaalsContact CE-O 3.31Å; M70-P362 WeakPolarHBondContact CE-O 3.47Å; M70-M363 HydrophobicContact CB-CE 3.82Å; M70-M363 HydrophobicContact CB-SD 4.32Å; M70-P364 HydrophobicContact CG-CG 4.36Å
71	T	98.6	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-21.7	175.9	-56	0	0	0	0	112.2	K67 M68 Y69 F304 L345 I348 R349 I352 M363	K67-T71 PolarHBondContact O-N 3.19Å; K67-T71 PolarHBondContact O-OG1 2.94Å; M68-T71 WeakPolarHBondContact O-CB 3.47Å; M68-T71 PolarHBondContact O-N 3Å; M68-T71 VanDerWaalsContact O-N 3.17Å; Y69-T71 PolarHBondContact O-N 3.09Å; T71-F304 HydrophobicContact CG2-CE2 4.14Å; T71-F304 HydrophobicContact CG2-CZ 3.76Å; T71-L345 HydrophobicContact CG2-CG 4.26Å; T71-I348 HydrophobicContact CG2-CG2 4.08Å; T71-R349 HydrophobicContact CG2-CB 3.9Å; T71-R349 WeakPolarHBondContact O-CG 3.2Å; T71-I352 HydrophobicContact CG2-CD1 4.36Å; T71-M363 WeakPolarHBondContact OG1-CE 3.48Å
72	G	98.4	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.7	9.3	-179.7	0	0	0	0	0	113.6	Y69 M70 R356	Y69-G72 WeakPolarHBondContact O-CA 3.34Å; Y69-G72 PolarHBondContact O-N 3.4Å; M70-G72 PolarHBondContact O-N 2.7Å; G72-R356 PolarHBondContact O-NH1 3.18Å
73	L	98.9	Very high	98.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.053	C	C	.	.			trans	-65.4	139.3	172.5	-51.5	-172.8	0	0	0	109.9	I47 M68 L112 M301 F304 I352	I47-L73 HydrophobicContact CG2-CD2 3.97Å; I47-L73 WeakPolarHBondContact O-CA 3.35Å; I47-L73 WeakPolarHBondContact O-CB 3.37Å; M68-L73 HydrophobicContact CB-CD1 3.96Å; M68-L73 HydrophobicContact CE-CD1 3.84Å; M68-L73 HydrophobicContact CG-CD1 4.37Å; M68-L73 WeakPolarHBondContact O-CG 3.17Å; L73-L112 HydrophobicContact CB-CD2 4.27Å; L73-L112 WeakPolarHBondContact O-CD2 3.47Å; L73-M301 HydrophobicContact CD2-CE 3.39Å; L73-F304 HydrophobicContact CD1-CD1 4.46Å; L73-F304 HydrophobicContact CD1-CD2 3.75Å; L73-F304 HydrophobicContact CD1-CE1 4.48Å; L73-F304 HydrophobicContact CD1-CE2 3.78Å; L73-F304 HydrophobicContact CD1-CG 4.11Å; L73-F304 HydrophobicContact CD1-CZ 4.16Å; L73-F304 HydrophobicContact CD2-CE2 4.19Å; L73-F304 HydrophobicContact CG-CE2 4.29Å; L73-I352 HydrophobicContact CD2-CD1 3.82Å
74	N	98.8	Very high	98.8	Very high	19 Å²	19	9 Å²	9	10%	0.102	4%	0.043	C	C	.	.	S	Bend	trans	-102.7	-7.6	168.2	50	15.6	0	0	0	112.9	Q45 Y46 I47 L113 R356	Q45-N74 PolarHBondContact O-ND2 3.33Å; Y46-N74 VanDerWaalsContact CA-OD1 3.3Å; Y46-N74 WeakPolarHBondContact CA-OD1 3.31Å; I47-N74 PolarHBondContact N-OD1 3.47Å; I47-N74 PolarHBondContact O-N 2.97Å; I47-N74 PolarHBondContact O-OD1 2.93Å; N74-L113 WeakPolarHBondContact O-CB 3.42Å; N74-L113 PolarHBondContact O-N 3.22Å; N74-R356 VanDerWaalsContact N-NH1 3.18Å; N74-R356 PolarHBondContact ND2-NH1 3.39Å; N74-R356 VanDerWaalsContact ND2-NH1 3.2Å
75	A	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.1	179	0	0	0	0	0	110.7	S48 L113 I115	S48-A75 WeakPolarHBondContact CA-O 3.46Å; A75-L113 CarbonylContact C-O 3.57Å; A75-L113 WeakPolarHBondContact CA-O 3.43Å; A75-L113 HydrophobicContact CB-CB 4.1Å; A75-I115 HydrophobicContact CB-CD1 4.12Å
76	V	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.7	166.1	-61.5	0	0	0	0	109.4	S48 G49 I51 L65 M68 A107 L112 L113 V114 I115	S48-V76 VanDerWaalsContact OG-C 3.31Å; S48-V76 WeakPolarHBondContact OG-CA 3.43Å; G49-V76 WeakPolarHBondContact O-CA 3.45Å; I51-V76 HydrophobicContact CG2-CB 3.94Å; I51-V76 HydrophobicContact CG2-CG1 4.26Å; I51-V76 HydrophobicContact CG2-CG2 4.45Å; L65-V76 HydrophobicContact CD2-CG1 4.08Å; L65-V76 HydrophobicContact CD2-CG2 4.33Å; M68-V76 HydrophobicContact CE-CB 4.26Å; M68-V76 HydrophobicContact CE-CG1 3.56Å; M68-V76 HydrophobicContact SD-CG1 4.11Å; V76-A107 HydrophobicContact CG2-CB 4.38Å; V76-L112 HydrophobicContact CG1-CB 4.41Å; V76-L112 HydrophobicContact CG1-CD1 3.81Å; V76-L112 HydrophobicContact CG1-CD2 4.27Å; V76-L112 HydrophobicContact CG1-CG 4.39Å; V76-L113 PolarHBondContact N-O 2.86Å; V76-V114 HydrophobicContact CG2-CG2 3.98Å; V76-V114 CarbonylContact O-C 3.58Å; V76-V114 WeakPolarHBondContact O-CA 3.4Å; V76-I115 PolarHBondContact O-N 2.68Å
77	Q	98.9	Very high	98.7	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.4	175.5	-174.8	167.4	-76.7	0	0	110.1	S48 G49 S50 I51 I115 R117 S263 N300	S48-Q77 PolarHBondContact OG-N 3.47Å; G49-Q77 PolarHBondContact O-N 3.5Å; S50-Q77 WeakPolarHBondContact CA-O 3.32Å; I51-Q77 PolarHBondContact N-O 3.34Å; Q77-I115 WeakPolarHBondContact CA-O 3.36Å; Q77-I115 HydrophobicContact CB-CB 4.18Å; Q77-I115 HydrophobicContact CB-CG2 4.48Å; Q77-I115 HydrophobicContact CG-CB 4.12Å; Q77-I115 HydrophobicContact CG-CG2 3.92Å; Q77-I115 VanDerWaalsContact OE1-CG2 3.3Å; Q77-R117 VanDerWaalsContact CD-CD 3.42Å; Q77-R117 HydrophobicContact CG-CG 4.04Å; Q77-R117 VanDerWaalsContact NE2-CD 3.34Å; Q77-S263 PolarHBondContact NE2-O 3.15Å; Q77-N300 WeakPolarHBondContact CB-OD1 3.37Å; Q77-N300 VanDerWaalsContact CD-CG 3.45Å; Q77-N300 VanDerWaalsContact CD-ND2 3.35Å; Q77-N300 PolarHBondContact NE2-ND2 3.33Å
78	V	98.8	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.6	-173.9	65.3	0	0	0	0	112.2	I51 Y53 F103 V114 I115 L116 R117	I51-V78 WeakPolarHBondContact O-CG2 3.49Å; Y53-V78 HydrophobicContact CD1-CG2 3.5Å; Y53-V78 VanDerWaalsContact CD1-CG2 3.5Å; Y53-V78 HydrophobicContact CE1-CG2 3.79Å; V78-F103 HydrophobicContact CB-CE1 4.24Å; V78-F103 HydrophobicContact CG1-CE1 4.3Å; V78-F103 HydrophobicContact CG2-CE1 4.02Å; V78-V114 HydrophobicContact CG1-CG1 3.92Å; V78-I115 PolarHBondContact N-O 3.38Å; V78-I115 VanDerWaalsContact N-O 3.1Å; V78-L116 HydrophobicContact CG1-CD1 3.8Å; V78-R117 PolarHBondContact O-N 3.46Å
79	Y	98.9	Very high	98.3	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.02	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	156.2	170.1	-76.9	-58.4	0	0	0	112.5	H52 Y53 R117 I122 A124 N183 E264 Y302	H52-Y79 AromaticContact CE1-CD2 3.57Å; H52-Y79 AromaticContact NE2-CD2 3.36Å; H52-Y79 WeakPolarHBondContact NE2-CD2 3.49Å; Y53-Y79 VanDerWaalsContact CE1-O 3.27Å; Y53-Y79 WeakPolarHBondContact CE1-O 3.44Å; Y79-R117 CarbonylContact C-O 3.51Å; Y79-R117 VanDerWaalsContact CA-O 3.27Å; Y79-R117 WeakPolarHBondContact CA-O 3.35Å; Y79-R117 HydrophobicContact CD1-CB 3.29Å; Y79-R117 HydrophobicContact CD1-CG 4.33Å; Y79-R117 WeakPolarHBondContact CD1-O 3.44Å; Y79-R117 HydrophobicContact CE1-CB 3.6Å; Y79-R117 HydrophobicContact CE1-CG 4.31Å; Y79-R117 HydrophobicContact CG-CB 4.25Å; Y79-R117 PolarHBondContact OH-NH1 2.79Å; Y79-R117 PolarHBondContact OH-NH2 3.4Å; Y79-I122 HydrophobicContact CD1-CB 3.55Å; Y79-I122 HydrophobicContact CD1-CG2 3.55Å; Y79-I122 HydrophobicContact CD2-CB 4.45Å; Y79-I122 HydrophobicContact CE1-CB 3.87Å; Y79-I122 HydrophobicContact CE1-CG2 4.16Å; Y79-I122 HydrophobicContact CG-CB 3.9Å; Y79-I122 HydrophobicContact CG-CD1 4.21Å; Y79-I122 HydrophobicContact CG-CG2 4.11Å; Y79-I122 VanDerWaalsContact CZ-O 3.28Å; Y79-I122 PolarHBondContact OH-O 2.93Å; Y79-A124 HydrophobicContact CD2-CB 3.66Å; Y79-A124 HydrophobicContact CE2-CB 3.59Å; Y79-N183 PolarHBondContact OH-OD1 3.2Å; Y79-E264 PolarHBondContact OH-OE1 2.93Å; Y79-E264 VanDerWaalsContact OH-OE1 3.12Å; Y79-Y302 HydrophobicContact CD2-CE2 4.45Å; Y79-Y302 AromaticContact CE2-CE2 3.73Å; Y79-Y302 HydrophobicContact CE2-CE2 3.73Å
80	V	98.9	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.			trans	-117.1	99.3	168.9	-172.7	0	0	0	0	109.4	W82 L100 L116 R117 P118 W157 L161	V80-W82 PolarHBondContact O-N 3.42Å; V80-L100 HydrophobicContact CG1-CD2 4.18Å; V80-L100 HydrophobicContact CG2-CD2 3.77Å; V80-L116 HydrophobicContact CG2-CD1 3.8Å; V80-L116 HydrophobicContact CG2-CG 4.41Å; V80-R117 PolarHBondContact N-O 2.96Å; V80-R117 VanDerWaalsContact N-O 3.08Å; V80-P118 HydrophobicContact CB-CB 4.42Å; V80-P118 HydrophobicContact CG2-CB 4.26Å; V80-W157 HydrophobicContact CG1-CZ2 4.14Å; V80-L161 HydrophobicContact CB-CD2 4.28Å; V80-L161 HydrophobicContact CG1-CD1 3.94Å; V80-L161 HydrophobicContact CG1-CD2 3.93Å
81	P	98.9	Very high	98.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.013	12%	0.12	C	C	.	.			trans	-72.3	113.9	179.5	-9	23.9	0	0	0	110.1	Y53 N83 F84 H85 I122 W126	Y53-P81 WeakPolarHBondContact OH-CD 3.47Å; P81-N83 VanDerWaalsContact C-N 3.35Å; P81-N83 PolarHBondContact O-N 2.96Å; P81-F84 HydrophobicContact CB-CB 3.8Å; P81-F84 HydrophobicContact CG-CB 4.2Å; P81-F84 WeakPolarHBondContact O-CB 3.31Å; P81-F84 PolarHBondContact O-N 3.17Å; P81-H85 PolarHBondContact O-CD2 2.79Å; P81-H85 PolarHBondContact O-N 3.43Å; P81-I122 HydrophobicContact CB-CD1 3.78Å; P81-I122 HydrophobicContact CG-CD1 3.84Å; P81-W126 HydrophobicContact CB-CZ2 4.33Å; P81-W126 HydrophobicContact CG-CZ2 4.38Å
82	W	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.6	-45.1	-177.9	174.5	14.7	0	0	0	111.8	V80 F84 H85 E86 P120 G130 L131 P132 W134 L135 A153 V154 W157	V80-W82 PolarHBondContact O-N 3.42Å; W82-F84 PolarHBondContact O-N 2.84Å; W82-F84 VanDerWaalsContact O-N 3.14Å; W82-H85 PolarHBondContact O-N 2.9Å; W82-E86 PolarHBondContact NE1-OE2 3.45Å; W82-E86 PolarHBondContact O-N 3.35Å; W82-P120 HydrophobicContact CE3-CB 3.98Å; W82-P120 HydrophobicContact CZ3-CB 4.27Å; W82-G130 WeakPolarHBondContact CB-O 3.38Å; W82-G130 PolarHBondContact N-O 2.94Å; W82-L131 HydrophobicContact CE3-CD2 3.9Å; W82-L131 HydrophobicContact CZ3-CD2 4.13Å; W82-P132 HydrophobicContact CB-CG 4.37Å; W82-P132 HydrophobicContact CD2-CG 3.49Å; W82-P132 VanDerWaalsContact CD2-CG 3.49Å; W82-P132 VanDerWaalsContact CE2-CG 3.49Å; W82-P132 VanDerWaalsContact CE3-CD 3.41Å; W82-P132 HydrophobicContact CE3-CG 4.13Å; W82-P132 HydrophobicContact CG-CG 3.59Å; W82-P132 HydrophobicContact CZ2-CG 4.15Å; W82-W134 HydrophobicContact CH2-CH2 4.2Å; W82-W134 AromaticContact CZ2-CH2 3.61Å; W82-W134 HydrophobicContact CZ2-CH2 3.61Å; W82-W134 AromaticContact CZ2-CZ2 3.69Å; W82-W134 HydrophobicContact CZ2-CZ2 3.69Å; W82-L135 HydrophobicContact CH2-CD1 4.2Å; W82-L135 HydrophobicContact CH2-CD2 4.07Å; W82-L135 HydrophobicContact CZ3-CD1 3.96Å; W82-A153 HydrophobicContact CH2-CB 3.83Å; W82-A153 HydrophobicContact CZ2-CB 4.31Å; W82-V154 HydrophobicContact CH2-CG2 4.13Å; W82-V154 HydrophobicContact CZ3-CG2 3.81Å; W82-W157 HydrophobicContact CB-CD2 4.47Å; W82-W157 HydrophobicContact CB-CZ2 4.29Å; W82-W157 AromaticContact CD1-CD1 3.8Å; W82-W157 AromaticContact CD1-CD2 3.27Å; W82-W157 AromaticContact CD1-CE2 3.55Å; W82-W157 AromaticContact CD1-CE3 3.66Å; W82-W157 AromaticContact CD1-CG 3.47Å; W82-W157 VanDerWaalsContact CD1-CG 3.47Å; W82-W157 AromaticContact CD1-NE1 3.84Å; W82-W157 HydrophobicContact CD2-CB 4.08Å; W82-W157 AromaticContact CD2-CD1 3.56Å; W82-W157 HydrophobicContact CD2-CD2 4.3Å; W82-W157 AromaticContact CD2-CG 3.71Å; W82-W157 HydrophobicContact CD2-CG 3.71Å; W82-W157 VanDerWaalsContact CE2-CB 3.43Å; W82-W157 AromaticContact CE2-CD1 3.86Å; W82-W157 AromaticContact CE2-CG 3.52Å; W82-W157 HydrophobicContact CE3-CG 4.47Å; W82-W157 AromaticContact CG-CD1 3.58Å; W82-W157 AromaticContact CG-CD2 3.82Å; W82-W157 HydrophobicContact CG-CD2 3.82Å; W82-W157 AromaticContact CG-CE2 3.74Å; W82-W157 AromaticContact CG-CG 3.73Å; W82-W157 HydrophobicContact CG-CG 3.73Å; W82-W157 HydrophobicContact CG-CZ2 4.44Å; W82-W157 AromaticContact CG-NE1 3.58Å; W82-W157 HydrophobicContact CH2-CB 4.27Å; W82-W157 HydrophobicContact CZ2-CB 3.54Å; W82-W157 HydrophobicContact CZ2-CG 4.13Å; W82-W157 AromaticContact NE1-CD1 3.98Å; W82-W157 AromaticContact NE1-CD2 3.54Å; W82-W157 AromaticContact NE1-CE3 3.85Å; W82-W157 AromaticContact NE1-CG 3.37Å
83	N	98.8	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-21.3	176.8	63.8	11.2	0	0	0	114.6	P81 H85 W126 E127 G130 L131 P132 W313	P81-N83 VanDerWaalsContact C-N 3.35Å; P81-N83 PolarHBondContact O-N 2.96Å; N83-H85 VanDerWaalsContact C-N 3.31Å; N83-W126 PolarHBondContact OD1-NE1 2.9Å; N83-E127 PolarHBondContact ND2-O 2.98Å; N83-G130 PolarHBondContact N-O 3.33Å; N83-L131 PolarHBondContact ND2-O 3.01Å; N83-P132 HydrophobicContact CB-CB 4.26Å; N83-P132 HydrophobicContact CB-CG 4.24Å; N83-W313 HydrophobicContact CB-CZ3 4.37Å
84	F	98.8	Very high	98.1	Very high	12 Å²	12	26.9 Å²	26.9	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-81	-12	173.3	-168.7	-118.4	0	0	0	112.6	Y53 P81 W82 D97 R98 W126 W313	Y53-F84 HydrophobicContact CD2-CE1 4.39Å; Y53-F84 HydrophobicContact CE2-CD1 4.11Å; Y53-F84 AromaticContact CE2-CE1 3.98Å; Y53-F84 HydrophobicContact CE2-CE1 3.98Å; P81-F84 HydrophobicContact CB-CB 3.8Å; P81-F84 HydrophobicContact CG-CB 4.2Å; P81-F84 WeakPolarHBondContact O-CB 3.31Å; P81-F84 PolarHBondContact O-N 3.17Å; W82-F84 PolarHBondContact O-N 2.84Å; W82-F84 VanDerWaalsContact O-N 3.14Å; F84-D97 WeakPolarHBondContact CE1-O 3.43Å; F84-R98 VanDerWaalsContact C-NH1 3.31Å; F84-R98 HydrophobicContact CD1-CB 4.44Å; F84-R98 HydrophobicContact CD1-CG 3.7Å; F84-R98 HydrophobicContact CD2-CG 4.3Å; F84-R98 HydrophobicContact CE1-CB 4.02Å; F84-R98 HydrophobicContact CE1-CG 3.27Å; F84-R98 HydrophobicContact CE2-CG 3.91Å; F84-R98 HydrophobicContact CG-CG 4.2Å; F84-R98 HydrophobicContact CZ-CB 4.47Å; F84-R98 HydrophobicContact CZ-CG 3.37Å; F84-R98 WeakPolarHBondContact O-CD 3.5Å; F84-R98 PolarHBondContact O-NE 3.11Å; F84-R98 PolarHBondContact O-NH1 3.29Å; F84-W126 HydrophobicContact CB-CZ2 4.1Å; F84-W126 HydrophobicContact CD2-CH2 4.34Å; F84-W126 HydrophobicContact CD2-CZ2 4.03Å; F84-W126 HydrophobicContact CG-CZ2 4.23Å; F84-W313 AromaticContact CD2-CE2 3.85Å; F84-W313 HydrophobicContact CD2-CH2 4.44Å; F84-W313 AromaticContact CD2-CZ2 3.82Å; F84-W313 HydrophobicContact CD2-CZ2 3.82Å; F84-W313 AromaticContact CD2-NE1 4Å; F84-W313 HydrophobicContact CE2-CZ2 4.45Å; F84-W313 AromaticContact CE2-NE1 3.96Å
85	H	98.9	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-111.5	-30.6	174.7	-68.7	-66.6	0	0	0	113.3	Y53 P81 W82 N83 P87 H92 N93 F94 R98 W157	Y53-H85 AromaticContact CZ-NE2 3.77Å; Y53-H85 PolarHBondContact OH-NE2 2.99Å; P81-H85 PolarHBondContact O-CD2 2.79Å; P81-H85 PolarHBondContact O-N 3.43Å; W82-H85 PolarHBondContact O-N 2.9Å; N83-H85 VanDerWaalsContact C-N 3.31Å; H85-P87 WeakPolarHBondContact O-CD 3.42Å; H85-H92 CarbonylContact O-C 3.55Å; H85-H92 WeakPolarHBondContact O-CA 3.41Å; H85-N93 PolarHBondContact ND1-O 2.85Å; H85-N93 PolarHBondContact O-N 3.39Å; H85-F94 HydrophobicContact CB-CE1 4.31Å; H85-F94 HydrophobicContact CB-CE2 4.46Å; H85-F94 HydrophobicContact CB-CZ 4.08Å; H85-F94 AromaticContact CE1-CD1 3.62Å; H85-F94 AromaticContact CE1-CE1 3.69Å; H85-F94 AromaticContact CG-CE1 3.72Å; H85-F94 AromaticContact CG-CZ 3.99Å; H85-F94 AromaticContact ND1-CD1 3.4Å; H85-F94 WeakPolarHBondContact ND1-CD1 3.47Å; H85-F94 AromaticContact ND1-CE1 3.41Å; H85-F94 WeakPolarHBondContact ND1-CE1 3.39Å; H85-F94 AromaticContact ND1-CG 3.99Å; H85-R98 PolarHBondContact CE1-O 3.1Å; H85-W157 HydrophobicContact CB-CH2 3.34Å; H85-W157 HydrophobicContact CB-CZ2 4.27Å; H85-W157 HydrophobicContact CB-CZ3 3.75Å; H85-W157 AromaticContact CD2-CH2 3.94Å; H85-W157 AromaticContact CG-CH2 3.83Å
86	E	98.7	Very high	97.9	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.033	20%	0.195	C	C	.	.			trans	-124.2	65.5	-179.7	-163.2	-179.2	177.4	0	0	111	W82 V88 G90 H92 W134	W82-E86 PolarHBondContact NE1-OE2 3.45Å; W82-E86 PolarHBondContact O-N 3.35Å; E86-V88 WeakPolarHBondContact CG-O 3.46Å; E86-V88 PolarHBondContact O-N 2.91Å; E86-G90 WeakPolarHBondContact OE1-CA 3.35Å; E86-G90 PolarHBondContact OE1-N 2.98Å; E86-H92 IonicContact OE1-NE2 2.79Å; E86-H92 IonicContact OE2-NE2 3.62Å; E86-W134 HydrophobicContact CG-CZ2 4.33Å; E86-W134 PolarHBondContact O-NE1 3.14Å
87	P	95.3	Very high	97.8	Very high	35 Å²	35	36.1 Å²	36.1	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	-64.9	-23.6	-177.5	28.2	-36.3	0	0	0	112.7	H85	H85-P87 WeakPolarHBondContact O-CD 3.42Å
88	V	94.9	Very high	97.8	Very high	77 Å²	77	38.2 Å²	38.2	47%	0.467	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-127.2	134.2	171.5	178.7	0	0	0	0	107	E86 G90 V91	E86-V88 WeakPolarHBondContact CG-O 3.46Å; E86-V88 PolarHBondContact O-N 2.91Å; V88-G90 PolarHBondContact O-N 3.03Å; V88-V91 HydrophobicContact CB-CB 4.14Å; V88-V91 HydrophobicContact CB-CG2 4.19Å; V88-V91 HydrophobicContact CG1-CG2 4.17Å; V88-V91 PolarHBondContact O-N 2.78Å
89	Q	96	Very high	97.8	Very high	118 Å²	118	40.2 Å²	40.2	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	126.1	-179.6	-168.3	177.7	16.4	0	0	111.5	V91 W134	Q89-V91 VanDerWaalsContact C-N 3.29Å; Q89-V91 PolarHBondContact O-N 2.73Å; Q89-W134 HydrophobicContact CB-CD2 3.75Å; Q89-W134 HydrophobicContact CB-CE3 3.96Å; Q89-W134 HydrophobicContact CB-CG 4.19Å; Q89-W134 HydrophobicContact CB-CH2 4.39Å; Q89-W134 HydrophobicContact CB-CZ2 4.19Å; Q89-W134 HydrophobicContact CB-CZ3 4.28Å; Q89-W134 HydrophobicContact CG-CD2 4.17Å; Q89-W134 HydrophobicContact CG-CE3 3.92Å; Q89-W134 HydrophobicContact CG-CH2 3.84Å; Q89-W134 HydrophobicContact CG-CZ2 4.06Å; Q89-W134 HydrophobicContact CG-CZ3 3.76Å
90	G	96.6	Very high	97.8	Very high	51 Å²	51	40.1 Å²	40.1	53%	0.526	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-8	-177	0	0	0	0	0	115.7	E86 V88 H92	E86-G90 WeakPolarHBondContact OE1-CA 3.35Å; E86-G90 PolarHBondContact OE1-N 2.98Å; V88-G90 PolarHBondContact O-N 3.03Å; G90-H92 PolarHBondContact O-ND1 3.19Å
91	V	97.8	Very high	97.8	Very high	87 Å²	87	43.1 Å²	43.1	53%	0.527	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-107.3	103.1	-176.7	-175.2	0	0	0	0	110.1	V88 Q89	V88-V91 HydrophobicContact CB-CB 4.14Å; V88-V91 HydrophobicContact CB-CG2 4.19Å; V88-V91 HydrophobicContact CG1-CG2 4.17Å; V88-V91 PolarHBondContact O-N 2.78Å; Q89-V91 VanDerWaalsContact C-N 3.29Å; Q89-V91 PolarHBondContact O-N 2.73Å
92	H	98	Very high	97.8	Very high	69 Å²	69	45.9 Å²	45.9	32%	0.319	26%	0.261	S	S	.	.			trans	-97.6	140.6	-175.4	-51.3	94	0	0	0	112.4	H85 E86 G90 F94 W157	H85-H92 CarbonylContact O-C 3.55Å; H85-H92 WeakPolarHBondContact O-CA 3.41Å; E86-H92 IonicContact OE1-NE2 2.79Å; E86-H92 IonicContact OE2-NE2 3.62Å; G90-H92 PolarHBondContact O-ND1 3.19Å; H92-F94 HydrophobicContact CB-CD2 4.38Å; H92-F94 HydrophobicContact CB-CE2 4.08Å; H92-W157 AromaticContact CD2-CZ3 3.99Å
93	N	97.8	Very high	97.8	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	26%	0.261	S	S	.	.			trans	-130.8	122	173.2	-172.4	-3.4	0	0	0	111.3	H85 T95	H85-N93 PolarHBondContact ND1-O 2.85Å; H85-N93 PolarHBondContact O-N 3.39Å; N93-T95 PolarHBondContact OD1-N 3.5Å; N93-T95 PolarHBondContact OD1-OG1 2.9Å
94	F	98.3	Very high	97.8	Very high	24 Å²	24	45.9 Å²	45.9	11%	0.105	26%	0.261	C	S	.	.			trans	-128.9	35	176.9	-69.2	-88.2	0	0	0	111.4	H85 H92 R98 D99 W157 V160 L161 K164	H85-F94 HydrophobicContact CB-CE1 4.31Å; H85-F94 HydrophobicContact CB-CE2 4.46Å; H85-F94 HydrophobicContact CB-CZ 4.08Å; H85-F94 AromaticContact CE1-CD1 3.62Å; H85-F94 AromaticContact CE1-CE1 3.69Å; H85-F94 AromaticContact CG-CE1 3.72Å; H85-F94 AromaticContact CG-CZ 3.99Å; H85-F94 AromaticContact ND1-CD1 3.4Å; H85-F94 WeakPolarHBondContact ND1-CD1 3.47Å; H85-F94 AromaticContact ND1-CE1 3.41Å; H85-F94 WeakPolarHBondContact ND1-CE1 3.39Å; H85-F94 AromaticContact ND1-CG 3.99Å; H92-F94 HydrophobicContact CB-CD2 4.38Å; H92-F94 HydrophobicContact CB-CE2 4.08Å; F94-R98 CarbonylContact C-O 3.53Å; F94-R98 VanDerWaalsContact CA-O 3.32Å; F94-R98 WeakPolarHBondContact CA-O 3.29Å; F94-D99 WeakPolarHBondContact O-CA 3.31Å; F94-D99 WeakPolarHBondContact O-CB 3.44Å; F94-W157 HydrophobicContact CE1-CH2 4.32Å; F94-W157 HydrophobicContact CE2-CZ3 4.36Å; F94-W157 AromaticContact CZ-CH2 3.66Å; F94-W157 HydrophobicContact CZ-CH2 3.66Å; F94-W157 AromaticContact CZ-CZ3 3.85Å; F94-W157 HydrophobicContact CZ-CZ3 3.85Å; F94-V160 HydrophobicContact CE2-CG1 4.12Å; F94-L161 HydrophobicContact CE1-CD1 4.15Å; F94-L161 HydrophobicContact CZ-CD1 4.33Å; F94-K164 HydrophobicContact CD1-CD 4.47Å; F94-K164 HydrophobicContact CD2-CD 4.19Å; F94-K164 HydrophobicContact CE1-CD 4.26Å; F94-K164 HydrophobicContact CE2-CD 3.95Å; F94-K164 HydrophobicContact CG-CD 4.43Å; F94-K164 HydrophobicContact CZ-CD 3.98Å
95	T	97.6	Very high	97.8	Very high	95 Å²	95	47.8 Å²	47.8	58%	0.583	27%	0.272	S	S	*	.	S	Bend	trans	-118.6	156.6	-177.6	64.8	0	0	0	0	111.6	N93 D97 R98	N93-T95 PolarHBondContact OD1-N 3.5Å; N93-T95 PolarHBondContact OD1-OG1 2.9Å; T95-D97 PolarHBondContact O-N 3.31Å; T95-R98 WeakPolarHBondContact O-CB 3.36Å; T95-R98 PolarHBondContact O-N 3.02Å
96	G	96.6	Very high	97.8	Very high	35 Å²	35	48.4 Å²	48.4	36%	0.361	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	60.4	-130.9	-179.8	0	0	0	0	0	111.8	Q58 R98 D99	Q58-G96 VanDerWaalsContact OE1-CA 3.31Å; Q58-G96 PolarHBondContact OE1-O 3.28Å; G96-R98 PolarHBondContact O-N 2.85Å; G96-D99 VanDerWaalsContact O-CB 3.27Å; G96-D99 WeakPolarHBondContact O-CB 3.5Å; G96-D99 PolarHBondContact O-N 2.88Å
97	D	97	Very high	97.8	Very high	82 Å²	82	48.1 Å²	48.1	44%	0.439	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.4	-8.6	176.3	-62.9	-36.6	0	0	0	113.9	Q58 W61 F84 T95	Q58-D97 VanDerWaalsContact CB-OD1 3.31Å; Q58-D97 WeakPolarHBondContact CB-OD1 3.41Å; Q58-D97 PolarHBondContact N-OD1 3.44Å; W61-D97 WeakPolarHBondContact CZ2-O 3.43Å; F84-D97 WeakPolarHBondContact CE1-O 3.43Å; T95-D97 PolarHBondContact O-N 3.31Å
98	R	98.5	Very high	97.9	Very high	45 Å²	45	49.5 Å²	49.5	17%	0.17	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-98.8	5.2	174.6	-64.9	168.6	-174.2	-131.2	2.7	113	F84 H85 F94 T95 G96 L100	F84-R98 VanDerWaalsContact C-NH1 3.31Å; F84-R98 HydrophobicContact CD1-CB 4.44Å; F84-R98 HydrophobicContact CD1-CG 3.7Å; F84-R98 HydrophobicContact CD2-CG 4.3Å; F84-R98 HydrophobicContact CE1-CB 4.02Å; F84-R98 HydrophobicContact CE1-CG 3.27Å; F84-R98 HydrophobicContact CE2-CG 3.91Å; F84-R98 HydrophobicContact CG-CG 4.2Å; F84-R98 HydrophobicContact CZ-CB 4.47Å; F84-R98 HydrophobicContact CZ-CG 3.37Å; F84-R98 WeakPolarHBondContact O-CD 3.5Å; F84-R98 PolarHBondContact O-NE 3.11Å; F84-R98 PolarHBondContact O-NH1 3.29Å; H85-R98 PolarHBondContact CE1-O 3.1Å; F94-R98 CarbonylContact C-O 3.53Å; F94-R98 VanDerWaalsContact CA-O 3.32Å; F94-R98 WeakPolarHBondContact CA-O 3.29Å; T95-R98 WeakPolarHBondContact O-CB 3.36Å; T95-R98 PolarHBondContact O-N 3.02Å; G96-R98 PolarHBondContact O-N 2.85Å; R98-L100 PolarHBondContact O-N 3.44Å
99	D	98.7	Very high	98.1	Very high	42 Å²	42	51.6 Å²	51.6	23%	0.225	28%	0.284	C	S	.	.			trans	-81	83.5	-176.3	-165.3	-20.8	0	0	0	112.5	W61 F94 G96 E101 H102 F103	W61-D99 HydrophobicContact CH2-CB 4.49Å; W61-D99 WeakPolarHBondContact CZ3-O 3.36Å; F94-D99 WeakPolarHBondContact O-CA 3.31Å; F94-D99 WeakPolarHBondContact O-CB 3.44Å; G96-D99 VanDerWaalsContact O-CB 3.27Å; G96-D99 WeakPolarHBondContact O-CB 3.5Å; G96-D99 PolarHBondContact O-N 2.88Å; D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.44Å; D99-E101 PolarHBondContact OD1-N 3.36Å; D99-H102 HydrophobicContact CB-CB 3.91Å; D99-H102 PolarHBondContact O-N 2.92Å; D99-H102 WeakPolarHBondContact OD1-CB 3.5Å; D99-H102 PolarHBondContact OD1-N 3.29Å; D99-H102 WeakPolarHBondContact OD2-CB 3.3Å; D99-F103 PolarHBondContact O-N 2.83Å
100	L	98.7	Very high	98.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-39.5	177.1	175.9	61	0	0	0	112.3	Y53 V80 R98 H102 F103 L104 L161 I165	Y53-L100 HydrophobicContact CD1-CD1 4.19Å; Y53-L100 HydrophobicContact CE1-CD1 3.71Å; V80-L100 HydrophobicContact CG1-CD2 4.18Å; V80-L100 HydrophobicContact CG2-CD2 3.77Å; R98-L100 PolarHBondContact O-N 3.44Å; L100-H102 VanDerWaalsContact C-N 3.33Å; L100-H102 PolarHBondContact O-N 3.18Å; L100-F103 PolarHBondContact O-N 3.34Å; L100-L104 HydrophobicContact CD1-CD1 4.32Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 4.11Å; L100-L104 HydrophobicContact CG-CG 4.39Å; L100-L104 VanDerWaalsContact O-CG 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.85Å; L100-L161 HydrophobicContact CD2-CD1 3.99Å; L100-I165 HydrophobicContact CD2-CG2 4.32Å
101	E	98.8	Very high	98.3	Very high	63 Å²	63	46.8 Å²	46.8	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-66.6	-38.8	-178.1	-60.8	-177.1	67	0	0	110.4	D99 L104 N105 K164 W168	D99-E101 VanDerWaalsContact C-N 3.33Å; D99-E101 PolarHBondContact O-N 3.44Å; D99-E101 PolarHBondContact OD1-N 3.36Å; E101-L104 PolarHBondContact O-N 3.23Å; E101-N105 WeakPolarHBondContact O-CB 3.43Å; E101-N105 PolarHBondContact O-N 3.33Å; E101-K164 IonicContact OE2-NZ 3.21Å; E101-K164 PolarHBondContact OE2-NZ 2.93Å; E101-W168 HydrophobicContact CB-CZ2 4.28Å; E101-W168 VanDerWaalsContact O-CZ2 3.31Å; E101-W168 WeakPolarHBondContact O-CZ2 3.3Å
102	H	98.8	Very high	98.3	Very high	60 Å²	60	42.7 Å²	42.7	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-41.7	171.8	-175.2	70.6	0	0	0	112.7	Q58 W61 D99 L100 N105 L106	Q58-H102 PolarHBondContact NE2-CD2 2.67Å; Q58-H102 PolarHBondContact NE2-NE2 2.85Å; W61-H102 AromaticContact CE3-CD2 3.89Å; W61-H102 HydrophobicContact CZ3-CB 4.43Å; W61-H102 AromaticContact CZ3-CD2 3.79Å; D99-H102 HydrophobicContact CB-CB 3.91Å; D99-H102 PolarHBondContact O-N 2.92Å; D99-H102 WeakPolarHBondContact OD1-CB 3.5Å; D99-H102 PolarHBondContact OD1-N 3.29Å; D99-H102 WeakPolarHBondContact OD2-CB 3.3Å; L100-H102 VanDerWaalsContact C-N 3.33Å; L100-H102 PolarHBondContact O-N 3.18Å; H102-N105 WeakPolarHBondContact O-CB 3.47Å; H102-N105 PolarHBondContact O-N 3.36Å; H102-L106 WeakPolarHBondContact O-CG 3.35Å; H102-L106 PolarHBondContact O-N 3Å
103	F	98.9	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-46.6	174.8	179.4	-96.9	0	0	0	111.9	I51 Y53 W61 L65 V78 D99 L100 N105 L106 A107	I51-F103 HydrophobicContact CD1-CE2 4.45Å; I51-F103 HydrophobicContact CG2-CZ 3.92Å; Y53-F103 HydrophobicContact CD1-CD1 4.37Å; Y53-F103 HydrophobicContact CD1-CG 4.48Å; Y53-F103 HydrophobicContact CG-CG 4.39Å; W61-F103 HydrophobicContact CB-CD2 4.14Å; W61-F103 HydrophobicContact CB-CE2 4.43Å; W61-F103 HydrophobicContact CD2-CB 4.4Å; W61-F103 AromaticContact CD2-CD2 3.73Å; W61-F103 HydrophobicContact CD2-CD2 3.73Å; W61-F103 HydrophobicContact CE3-CB 3.85Å; W61-F103 AromaticContact CE3-CD2 3.97Å; W61-F103 HydrophobicContact CE3-CD2 3.97Å; W61-F103 HydrophobicContact CE3-CG 4.43Å; W61-F103 AromaticContact CG-CD2 3.81Å; W61-F103 HydrophobicContact CG-CD2 3.81Å; W61-F103 HydrophobicContact CG-CE2 4.28Å; W61-F103 HydrophobicContact CH2-CB 4.45Å; W61-F103 HydrophobicContact CZ3-CB 3.87Å; L65-F103 HydrophobicContact CD1-CE2 4.11Å; L65-F103 HydrophobicContact CD2-CE2 4.31Å; L65-F103 HydrophobicContact CD2-CZ 4.07Å; L65-F103 HydrophobicContact CG-CE2 4.37Å; V78-F103 HydrophobicContact CB-CE1 4.24Å; V78-F103 HydrophobicContact CG1-CE1 4.3Å; V78-F103 HydrophobicContact CG2-CE1 4.02Å; D99-F103 PolarHBondContact O-N 2.83Å; L100-F103 PolarHBondContact O-N 3.34Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.29Å; F103-L106 PolarHBondContact O-N 2.78Å; F103-A107 PolarHBondContact O-N 3.06Å
104	L	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-40.6	176.4	-67.2	172.1	0	0	0	111.6	L100 E101 A107 N108 V114 W168 N175 I176	L100-L104 HydrophobicContact CD1-CD1 4.32Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 4.11Å; L100-L104 HydrophobicContact CG-CG 4.39Å; L100-L104 VanDerWaalsContact O-CG 3.27Å; L100-L104 WeakPolarHBondContact O-CG 3.46Å; L100-L104 PolarHBondContact O-N 2.85Å; E101-L104 PolarHBondContact O-N 3.23Å; L104-A107 PolarHBondContact O-N 3.29Å; L104-N108 WeakPolarHBondContact O-CB 3.16Å; L104-N108 PolarHBondContact O-N 3.35Å; L104-V114 HydrophobicContact CD2-CB 4.23Å; L104-V114 HydrophobicContact CD2-CG1 3.79Å; L104-V114 HydrophobicContact CD2-CG2 3.92Å; L104-W168 HydrophobicContact CB-CD2 3.79Å; L104-W168 HydrophobicContact CB-CE3 3.72Å; L104-W168 HydrophobicContact CB-CG 4.29Å; L104-W168 HydrophobicContact CB-CZ3 4.15Å; L104-W168 HydrophobicContact CD1-CB 3.92Å; L104-W168 HydrophobicContact CD1-CD2 4.03Å; L104-W168 HydrophobicContact CD1-CG 3.64Å; L104-N175 PolarHBondContact O-ND2 2.85Å; L104-I176 HydrophobicContact CD1-CD1 4.05Å; L104-I176 HydrophobicContact CD2-CD1 4.26Å; L104-I176 HydrophobicContact CD2-CG1 4.17Å
105	N	98.8	Very high	98.4	Very high	51 Å²	51	36.4 Å²	36.4	27%	0.273	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-45.9	174	-171.1	34.9	0	0	0	112.3	E101 H102 F103 N108 Q109 W168	E101-N105 WeakPolarHBondContact O-CB 3.43Å; E101-N105 PolarHBondContact O-N 3.33Å; H102-N105 WeakPolarHBondContact O-CB 3.47Å; H102-N105 PolarHBondContact O-N 3.36Å; F103-N105 VanDerWaalsContact C-N 3.3Å; F103-N105 PolarHBondContact O-N 3.29Å; N105-N108 WeakPolarHBondContact O-CB 3.14Å; N105-N108 PolarHBondContact O-N 3.35Å; N105-Q109 PolarHBondContact ND2-NE2 2.88Å; N105-Q109 VanDerWaalsContact ND2-NE2 3.13Å; N105-Q109 WeakPolarHBondContact O-CG 3.41Å; N105-Q109 PolarHBondContact O-N 2.57Å; N105-Q109 PolarHBondContact OD1-NE2 2.8Å; N105-W168 HydrophobicContact CB-CH2 3.46Å; N105-W168 VanDerWaalsContact CB-CH2 3.46Å; N105-W168 HydrophobicContact CB-CZ2 4.26Å; N105-W168 HydrophobicContact CB-CZ3 4.09Å
106	L	98.9	Very high	98.5	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-41	178	-72.1	179.1	0	0	0	111.8	W61 K62 L65 H102 F103 N108 Q109 T110	W61-L106 HydrophobicContact CB-CD1 3.86Å; W61-L106 HydrophobicContact CE3-CD1 4.17Å; K62-L106 HydrophobicContact CB-CD1 4.42Å; K62-L106 HydrophobicContact CB-CD2 4.46Å; L65-L106 HydrophobicContact CD1-CB 3.79Å; H102-L106 WeakPolarHBondContact O-CG 3.35Å; H102-L106 PolarHBondContact O-N 3Å; F103-L106 PolarHBondContact O-N 2.78Å; L106-N108 VanDerWaalsContact C-N 3.32Å; L106-N108 PolarHBondContact O-N 3.44Å; L106-Q109 PolarHBondContact O-N 2.64Å; L106-T110 WeakPolarHBondContact O-CB 3.39Å; L106-T110 PolarHBondContact O-N 3.42Å; L106-T110 PolarHBondContact O-OG1 3.02Å
107	A	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-44.4	174	0	0	0	0	0	110.9	L65 V76 F103 L104 T110 G111 L112 V114	L65-A107 HydrophobicContact CD1-CB 4.25Å; L65-A107 HydrophobicContact CD2-CB 4.23Å; V76-A107 HydrophobicContact CG2-CB 4.38Å; F103-A107 PolarHBondContact O-N 3.06Å; L104-A107 PolarHBondContact O-N 3.29Å; A107-T110 PolarHBondContact O-N 3.13Å; A107-G111 PolarHBondContact O-N 2.96Å; A107-L112 HydrophobicContact CB-CB 4.44Å; A107-L112 PolarHBondContact O-N 3.46Å; A107-V114 HydrophobicContact CB-CG2 4.03Å
108	N	98.4	Very high	98.7	Very high	64 Å²	64	26.3 Å²	26.3	34%	0.342	14%	0.141	S	C	.	.	H	α-helix	trans	-62.2	-46.8	177.4	-170.3	32.5	0	0	0	112	L104 N105 L106 T110 G111 N175	L104-N108 WeakPolarHBondContact O-CB 3.16Å; L104-N108 PolarHBondContact O-N 3.35Å; N105-N108 WeakPolarHBondContact O-CB 3.14Å; N105-N108 PolarHBondContact O-N 3.35Å; L106-N108 VanDerWaalsContact C-N 3.32Å; L106-N108 PolarHBondContact O-N 3.44Å; N108-T110 PolarHBondContact O-N 3.36Å; N108-G111 PolarHBondContact O-N 3.06Å; N108-N175 WeakPolarHBondContact CA-ND2 3.41Å; N108-N175 HydrophobicContact CB-CB 4.12Å; N108-N175 PolarHBondContact N-ND2 2.89Å; N108-N175 VanDerWaalsContact N-ND2 3.14Å
109	Q	98.6	Very high	98.7	Very high	121 Å²	121	24.2 Å²	24.2	57%	0.565	13%	0.134	S	C	*	.	H	α-helix	trans	-62.3	-30.3	176.7	-72.7	177.4	14.8	0	0	113	N105 L106	N105-Q109 PolarHBondContact ND2-NE2 2.88Å; N105-Q109 VanDerWaalsContact ND2-NE2 3.13Å; N105-Q109 WeakPolarHBondContact O-CG 3.41Å; N105-Q109 PolarHBondContact O-N 2.57Å; N105-Q109 PolarHBondContact OD1-NE2 2.8Å; L106-Q109 PolarHBondContact O-N 2.64Å
110	T	98.5	Very high	98.7	Very high	20 Å²	20	22.2 Å²	22.2	12%	0.123	12%	0.123	C	C	.	.	H	α-helix	trans	-76.8	-14.6	176.3	-53.3	0	0	0	0	111.9	L65 V66 Y69 L106 A107 N108 L112	L65-T110 HydrophobicContact CB-CG2 4.31Å; V66-T110 HydrophobicContact CG2-CG2 4.09Å; Y69-T110 HydrophobicContact CG-CG2 4.07Å; L106-T110 WeakPolarHBondContact O-CB 3.39Å; L106-T110 PolarHBondContact O-N 3.42Å; L106-T110 PolarHBondContact O-OG1 3.02Å; A107-T110 PolarHBondContact O-N 3.13Å; N108-T110 PolarHBondContact O-N 3.36Å; T110-L112 HydrophobicContact CG2-CD1 3.91Å; T110-L112 HydrophobicContact CG2-CG 4.37Å
111	G	97.3	Very high	98.7	Very high	48 Å²	48	22.1 Å²	22.1	50%	0.495	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	19.6	-177.2	0	0	0	0	0	113.9	A107 N108	A107-G111 PolarHBondContact O-N 2.96Å; N108-G111 PolarHBondContact O-N 3.06Å
112	L	98.9	Very high	98.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.109	C	C	.	.			trans	-99.5	132.8	179.5	-68	161.6	0	0	0	111	L65 Y69 L73 V76 A107 T110 N175	L65-L112 HydrophobicContact CB-CD1 4.18Å; L65-L112 HydrophobicContact CD2-CD1 3.93Å; L65-L112 WeakPolarHBondContact O-CD1 3.19Å; Y69-L112 HydrophobicContact CD2-CD2 4.22Å; Y69-L112 HydrophobicContact CD2-CG 4.34Å; L73-L112 HydrophobicContact CB-CD2 4.27Å; L73-L112 WeakPolarHBondContact O-CD2 3.47Å; V76-L112 HydrophobicContact CG1-CB 4.41Å; V76-L112 HydrophobicContact CG1-CD1 3.81Å; V76-L112 HydrophobicContact CG1-CD2 4.27Å; V76-L112 HydrophobicContact CG1-CG 4.39Å; A107-L112 HydrophobicContact CB-CB 4.44Å; A107-L112 PolarHBondContact O-N 3.46Å; T110-L112 HydrophobicContact CG2-CD1 3.91Å; T110-L112 HydrophobicContact CG2-CG 4.37Å; L112-N175 PolarHBondContact O-ND2 2.86Å
113	L	98.9	Very high	98.7	Very high	19 Å²	19	16.7 Å²	16.7	10%	0.099	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	164.9	165.5	-60	166.9	0	0	0	110	K39 F44 N74 A75 V76 Y170 N175 I177	K39-L113 HydrophobicContact CD-CD1 4.02Å; F44-L113 HydrophobicContact CE1-CD1 4.13Å; F44-L113 HydrophobicContact CE2-CD1 4.03Å; F44-L113 HydrophobicContact CZ-CD1 3.44Å; F44-L113 VanDerWaalsContact CZ-CD1 3.44Å; N74-L113 WeakPolarHBondContact O-CB 3.42Å; N74-L113 PolarHBondContact O-N 3.22Å; A75-L113 CarbonylContact C-O 3.57Å; A75-L113 WeakPolarHBondContact CA-O 3.43Å; A75-L113 HydrophobicContact CB-CB 4.1Å; V76-L113 PolarHBondContact N-O 2.86Å; L113-Y170 HydrophobicContact CD2-CD2 3.78Å; L113-Y170 HydrophobicContact CD2-CE2 3.83Å; L113-N175 CarbonylContact C-O 3.56Å; L113-N175 WeakPolarHBondContact CA-O 3.26Å; L113-I177 HydrophobicContact CB-CD1 4.05Å; L113-I177 HydrophobicContact CB-CG1 4.25Å; L113-I177 HydrophobicContact CB-CG2 4.23Å; L113-I177 HydrophobicContact CD1-CD1 4.19Å; L113-I177 HydrophobicContact CD1-CG2 4.13Å; L113-I177 HydrophobicContact CD2-CG2 3.87Å; L113-I177 HydrophobicContact CG-CG2 4.29Å
114	V	98.9	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.5	-177.8	174.8	0	0	0	0	110.7	V76 V78 L104 A107 L116 N175 I176 I177	V76-V114 HydrophobicContact CG2-CG2 3.98Å; V76-V114 CarbonylContact O-C 3.58Å; V76-V114 WeakPolarHBondContact O-CA 3.4Å; V78-V114 HydrophobicContact CG1-CG1 3.92Å; L104-V114 HydrophobicContact CD2-CB 4.23Å; L104-V114 HydrophobicContact CD2-CG1 3.79Å; L104-V114 HydrophobicContact CD2-CG2 3.92Å; A107-V114 HydrophobicContact CB-CG2 4.03Å; V114-L116 HydrophobicContact CG1-CB 4.39Å; V114-N175 VanDerWaalsContact CG2-ND2 3.33Å; V114-N175 WeakPolarHBondContact CG2-ND2 3.46Å; V114-N175 PolarHBondContact N-O 3.21Å; V114-I176 HydrophobicContact CB-CG1 4.06Å; V114-I176 HydrophobicContact CG1-CG1 4.06Å; V114-I176 CarbonylContact O-C 3.58Å; V114-I176 VanDerWaalsContact O-CA 3.31Å; V114-I176 WeakPolarHBondContact O-CA 3.15Å; V114-I177 WeakPolarHBondContact O-CG1 3.48Å; V114-I177 PolarHBondContact O-N 3.23Å
115	I	99	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	109.4	162.8	-63.8	142.7	0	0	0	106.3	Y46 A75 V76 Q77 V78 I177 T178 F214	Y46-I115 HydrophobicContact CD1-CD1 4.41Å; Y46-I115 HydrophobicContact CD2-CD1 3.73Å; Y46-I115 HydrophobicContact CE1-CD1 4.43Å; Y46-I115 HydrophobicContact CE2-CD1 3.78Å; Y46-I115 HydrophobicContact CG-CD1 4.06Å; A75-I115 HydrophobicContact CB-CD1 4.12Å; V76-I115 PolarHBondContact O-N 2.68Å; Q77-I115 WeakPolarHBondContact CA-O 3.36Å; Q77-I115 HydrophobicContact CB-CB 4.18Å; Q77-I115 HydrophobicContact CB-CG2 4.48Å; Q77-I115 HydrophobicContact CG-CB 4.12Å; Q77-I115 HydrophobicContact CG-CG2 3.92Å; Q77-I115 VanDerWaalsContact OE1-CG2 3.3Å; V78-I115 PolarHBondContact N-O 3.38Å; V78-I115 VanDerWaalsContact N-O 3.1Å; I115-I177 HydrophobicContact CG1-CD1 4.35Å; I115-I177 HydrophobicContact CG1-CG1 4.34Å; I115-T178 WeakPolarHBondContact CG1-OG1 3.38Å; I115-T178 WeakPolarHBondContact CG2-OG1 3.44Å; I115-F214 HydrophobicContact CG2-CE1 3.84Å; I115-F214 HydrophobicContact CG2-CZ 3.67Å
116	L	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.5	-175.5	-170.5	73.2	0	0	0	110.3	V78 V80 V114 P118 I165 I176 T178 V179 Q180	V78-L116 HydrophobicContact CG1-CD1 3.8Å; V80-L116 HydrophobicContact CG2-CD1 3.8Å; V80-L116 HydrophobicContact CG2-CG 4.41Å; V114-L116 HydrophobicContact CG1-CB 4.39Å; L116-P118 HydrophobicContact CD2-CB 4.31Å; L116-P118 HydrophobicContact CD2-CG 4.36Å; L116-P118 WeakPolarHBondContact O-CD 3.14Å; L116-I165 HydrophobicContact CD2-CB 4.15Å; L116-I165 HydrophobicContact CD2-CD1 3.45Å; L116-I165 VanDerWaalsContact CD2-CD1 3.45Å; L116-I165 HydrophobicContact CD2-CG1 4.38Å; L116-I165 HydrophobicContact CD2-CG2 3.88Å; L116-I176 HydrophobicContact CB-CD1 4.45Å; L116-I176 HydrophobicContact CB-CG2 3.98Å; L116-I176 HydrophobicContact CD2-CD1 4.08Å; L116-T178 PolarHBondContact N-O 3.47Å; L116-V179 HydrophobicContact CB-CG2 4.4Å; L116-V179 CarbonylContact O-C 3.54Å; L116-V179 VanDerWaalsContact O-CA 3.29Å; L116-V179 WeakPolarHBondContact O-CA 3.48Å; L116-Q180 PolarHBondContact O-N 3.47Å
117	R	98.9	Very high	98.7	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	79.6	176	-58	-178.3	75.3	-178.7	21.6	110	Q77 V78 Y79 V80 G119 Q180 N183 E264	Q77-R117 VanDerWaalsContact CD-CD 3.42Å; Q77-R117 HydrophobicContact CG-CG 4.04Å; Q77-R117 VanDerWaalsContact NE2-CD 3.34Å; V78-R117 PolarHBondContact O-N 3.46Å; Y79-R117 CarbonylContact C-O 3.51Å; Y79-R117 VanDerWaalsContact CA-O 3.27Å; Y79-R117 WeakPolarHBondContact CA-O 3.35Å; Y79-R117 HydrophobicContact CD1-CB 3.29Å; Y79-R117 HydrophobicContact CD1-CG 4.33Å; Y79-R117 WeakPolarHBondContact CD1-O 3.44Å; Y79-R117 HydrophobicContact CE1-CB 3.6Å; Y79-R117 HydrophobicContact CE1-CG 4.31Å; Y79-R117 HydrophobicContact CG-CB 4.25Å; Y79-R117 PolarHBondContact OH-NH1 2.79Å; Y79-R117 PolarHBondContact OH-NH2 3.4Å; V80-R117 PolarHBondContact N-O 2.96Å; V80-R117 VanDerWaalsContact N-O 3.08Å; R117-G119 VanDerWaalsContact C-N 3.27Å; R117-G119 PolarHBondContact O-N 3.31Å; R117-Q180 HydrophobicContact CB-CB 4.19Å; R117-Q180 HydrophobicContact CG-CB 3.84Å; R117-Q180 VanDerWaalsContact NE-NE2 3.15Å; R117-N183 VanDerWaalsContact CZ-OD1 3.31Å; R117-N183 PolarHBondContact NH2-OD1 3.49Å; R117-E264 IonicContact CZ-OE1 3.66Å; R117-E264 VanDerWaalsContact NH1-CD 3.31Å; R117-E264 IonicContact NH1-OE1 3.19Å; R117-E264 PolarHBondContact NH1-OE1 3.24Å; R117-E264 IonicContact NH2-OE1 3.64Å; R117-E264 PolarHBondContact NH2-OE1 3.33Å
118	P	98.8	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.			trans	-80.6	1.2	-171.6	33	-37.7	0	0	0	115.1	V80 L116 L161 V179 Q180 F203	V80-P118 HydrophobicContact CB-CB 4.42Å; V80-P118 HydrophobicContact CG2-CB 4.26Å; L116-P118 HydrophobicContact CD2-CB 4.31Å; L116-P118 HydrophobicContact CD2-CG 4.36Å; L116-P118 WeakPolarHBondContact O-CD 3.14Å; P118-L161 HydrophobicContact CB-CD2 3.61Å; P118-V179 HydrophobicContact CG-CG1 3.71Å; P118-Q180 WeakPolarHBondContact CD-O 3.45Å; P118-F203 HydrophobicContact CG-CE1 3.47Å; P118-F203 VanDerWaalsContact CG-CE1 3.47Å; P118-F203 HydrophobicContact CG-CZ 3.68Å
119	G	98.6	Very high	98.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.01	7%	0.071	C	C	.	.			trans	79.1	-135.8	178.5	0	0	0	0	0	113.9	R117 Y121 E182	R117-G119 VanDerWaalsContact C-N 3.27Å; R117-G119 PolarHBondContact O-N 3.31Å; G119-Y121 VanDerWaalsContact CA-O 3.29Å; G119-Y121 WeakPolarHBondContact CA-O 3.24Å; G119-E182 PolarHBondContact O-N 3.45Å; G119-E182 VanDerWaalsContact O-N 3.14Å
120	P	98.6	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.044	C	C	.	.	S	Bend	cis	-81.2	-20.2	27.2	31.4	-38.5	0	0	0	115.7	W82 V154 L199	W82-P120 HydrophobicContact CE3-CB 3.98Å; W82-P120 HydrophobicContact CZ3-CB 4.27Å; P120-V154 HydrophobicContact CB-CG1 4.38Å; P120-V154 HydrophobicContact CB-CG2 4.19Å; P120-V154 HydrophobicContact CG-CG1 3.87Å; P120-V154 HydrophobicContact CG-CG2 3.82Å; P120-L199 HydrophobicContact CG-CD2 4.22Å
121	Y	98.9	Very high	98.8	Very high	1 Å²	1	5.1 Å²	5.1	0%	0.004	4%	0.039	C	C	.	.			trans	-96.1	138.2	166.7	165.3	-87.7	0	0	0	109.5	G119 C123 L131 R144 N183 N482 I487	G119-Y121 VanDerWaalsContact CA-O 3.29Å; G119-Y121 WeakPolarHBondContact CA-O 3.24Å; Y121-C123 HydrophobicContact CE1-CB 3.77Å; Y121-C123 WeakPolarHBondContact OH-CB 3.44Å; Y121-L131 HydrophobicContact CD2-CD1 4.07Å; Y121-L131 HydrophobicContact CD2-CG 4.22Å; Y121-R144 VanDerWaalsContact CD1-NE 3.32Å; Y121-R144 HydrophobicContact CD2-CG 4.49Å; Y121-R144 HydrophobicContact CG-CG 4.24Å; Y121-R144 PolarHBondContact OH-NH1 2.85Å; Y121-N183 HydrophobicContact CD1-CB 4.06Å; Y121-N183 HydrophobicContact CE1-CB 4.32Å; Y121-N183 WeakPolarHBondContact O-CB 3.2Å; Y121-N482 WeakPolarHBondContact CE2-O 3.47Å; Y121-N482 VanDerWaalsContact CZ-O 3.32Å; Y121-N482 PolarHBondContact OH-O 2.75Å; Y121-I487 HydrophobicContact CE2-CD1 4.36Å
122	I	98.9	Very high	98.8	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.01	2%	0.015	C	C	.	.			trans	-125.8	-5.5	-174.7	62.5	164.5	0	0	0	114.7	Y79 P81 A124 G129	Y79-I122 HydrophobicContact CD1-CB 3.55Å; Y79-I122 HydrophobicContact CD1-CG2 3.55Å; Y79-I122 HydrophobicContact CD2-CB 4.45Å; Y79-I122 HydrophobicContact CE1-CB 3.87Å; Y79-I122 HydrophobicContact CE1-CG2 4.16Å; Y79-I122 HydrophobicContact CG-CB 3.9Å; Y79-I122 HydrophobicContact CG-CD1 4.21Å; Y79-I122 HydrophobicContact CG-CG2 4.11Å; Y79-I122 VanDerWaalsContact CZ-O 3.28Å; Y79-I122 PolarHBondContact OH-O 2.93Å; P81-I122 HydrophobicContact CB-CD1 3.78Å; P81-I122 HydrophobicContact CG-CD1 3.84Å; I122-A124 HydrophobicContact CD1-CB 4.14Å; I122-A124 HydrophobicContact CG1-CB 4.28Å; I122-A124 WeakPolarHBondContact O-CB 3.41Å; I122-A124 PolarHBondContact O-N 3.18Å; I122-G129 VanDerWaalsContact CG1-O 3.27Å; I122-G129 WeakPolarHBondContact CG1-O 3.42Å; I122-G129 PolarHBondContact N-O 3.22Å
123	C	98.7	Very high	98.8	Very high	7 Å²	7	2.9 Å²	2.9	5%	0.047	2%	0.015	C	C	.	.			trans	55.3	-103.6	-171.1	-173.6	0	0	0	0	111.2	Y121 E125 W126 G129 N482	Y121-C123 HydrophobicContact CE1-CB 3.77Å; Y121-C123 WeakPolarHBondContact OH-CB 3.44Å; C123-E125 PolarHBondContact O-N 3.28Å; C123-W126 PolarHBondContact O-N 2.72Å; C123-G129 WeakPolarHBondContact O-CA 3.32Å; C123-N482 PolarHBondContact SG-OD1 3.4Å; C123-N482 VanDerWaalsContact SG-OD1 3.41Å
124	A	98.4	Very high	98.8	Very high	3 Å²	3	2.4 Å²	2.4	3%	0.025	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	18.3	165.5	0	0	0	0	0	115.5	R55 Y79 I122 W126	R55-A124 VanDerWaalsContact CZ-O 3.32Å; R55-A124 PolarHBondContact NH1-O 3.4Å; R55-A124 PolarHBondContact NH2-O 2.87Å; Y79-A124 HydrophobicContact CD2-CB 3.66Å; Y79-A124 HydrophobicContact CE2-CB 3.59Å; I122-A124 HydrophobicContact CD1-CB 4.14Å; I122-A124 HydrophobicContact CG1-CB 4.28Å; I122-A124 WeakPolarHBondContact O-CB 3.41Å; I122-A124 PolarHBondContact O-N 3.18Å; A124-W126 HydrophobicContact CB-CB 4.37Å; A124-W126 PolarHBondContact O-N 3.39Å; A124-W126 VanDerWaalsContact O-N 3.08Å
125	E	98.8	Very high	98.8	Very high	20 Å²	20	2.5 Å²	2.5	9%	0.093	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	30.6	-173.5	-66.7	73.7	-109.3	0	0	112.1	R55 C123 L270 G315 V325 Y329 N482	R55-E125 PolarHBondContact NH2-O 2.97Å; C123-E125 PolarHBondContact O-N 3.28Å; E125-L270 HydrophobicContact CG-CB 3.69Å; E125-L270 HydrophobicContact CG-CD1 3.81Å; E125-L270 HydrophobicContact CG-CD2 3.75Å; E125-L270 HydrophobicContact CG-CG 3.93Å; E125-G315 PolarHBondContact O-N 3.1Å; E125-V325 HydrophobicContact CB-CG1 4.17Å; E125-V325 HydrophobicContact CB-CG2 4.01Å; E125-V325 HydrophobicContact CG-CG2 4.17Å; E125-Y329 HydrophobicContact CB-CE2 3.68Å; E125-Y329 HydrophobicContact CG-CE2 4.14Å; E125-Y329 PolarHBondContact OE2-OH 2.73Å; E125-N482 WeakPolarHBondContact CA-OD1 3.35Å; E125-N482 PolarHBondContact N-OD1 3.39Å
126	W	98.9	Very high	98.7	Very high	3 Å²	3	2.6 Å²	2.6	1%	0.011	1%	0.014	C	C	.	.	B	Isolated β-bridge	trans	-107.8	147.7	-177.8	-175.3	-88.4	0	0	0	109.2	R55 P81 N83 F84 C123 A124 M128 G129 W313 N482	R55-W126 HydrophobicContact CG-CE3 4.42Å; R55-W126 HydrophobicContact CG-CZ3 3.94Å; P81-W126 HydrophobicContact CB-CZ2 4.33Å; P81-W126 HydrophobicContact CG-CZ2 4.38Å; N83-W126 PolarHBondContact OD1-NE1 2.9Å; F84-W126 HydrophobicContact CB-CZ2 4.1Å; F84-W126 HydrophobicContact CD2-CH2 4.34Å; F84-W126 HydrophobicContact CD2-CZ2 4.03Å; F84-W126 HydrophobicContact CG-CZ2 4.23Å; C123-W126 PolarHBondContact O-N 2.72Å; A124-W126 HydrophobicContact CB-CB 4.37Å; A124-W126 PolarHBondContact O-N 3.39Å; A124-W126 VanDerWaalsContact O-N 3.08Å; W126-M128 PolarHBondContact O-N 3.48Å; W126-M128 VanDerWaalsContact O-N 3.07Å; W126-G129 PolarHBondContact O-N 2.98Å; W126-W313 WeakPolarHBondContact CA-O 3.28Å; W126-W313 HydrophobicContact CD2-CB 4.1Å; W126-W313 AromaticContact CE2-CD2 3.95Å; W126-W313 AromaticContact CE2-CE3 3.67Å; W126-W313 HydrophobicContact CE3-CB 3.89Å; W126-W313 HydrophobicContact CH2-CB 3.35Å; W126-W313 AromaticContact CH2-CD1 3.66Å; W126-W313 AromaticContact CH2-CD2 3.8Å; W126-W313 HydrophobicContact CH2-CD2 3.8Å; W126-W313 HydrophobicContact CH2-CE3 4.36Å; W126-W313 AromaticContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CZ2-CB 3.56Å; W126-W313 AromaticContact CZ2-CD1 3.98Å; W126-W313 AromaticContact CZ2-CD2 3.29Å; W126-W313 HydrophobicContact CZ2-CD2 3.29Å; W126-W313 AromaticContact CZ2-CE3 3.44Å; W126-W313 HydrophobicContact CZ2-CE3 3.44Å; W126-W313 VanDerWaalsContact CZ2-CE3 3.44Å; W126-W313 AromaticContact CZ2-CG 3.34Å; W126-W313 HydrophobicContact CZ2-CG 3.34Å; W126-W313 HydrophobicContact CZ2-CZ3 4.28Å; W126-W313 HydrophobicContact CZ3-CB 3.52Å; W126-W313 HydrophobicContact CZ3-CG 4.02Å; W126-W313 AromaticContact NE1-CE3 3.69Å; W126-N482 WeakPolarHBondContact O-CB 3.32Å
127	E	98.9	Very high	98.6	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-38.7	116.2	177.8	173.5	55.4	-157.4	0	0	112.1	N83 G129 G130 W313 Y411 G479 R480	N83-E127 PolarHBondContact ND2-O 2.98Å; E127-G129 PolarHBondContact O-N 3.21Å; E127-G129 VanDerWaalsContact O-N 3.13Å; E127-G130 PolarHBondContact O-N 3.43Å; E127-W313 HydrophobicContact CB-CE3 4.1Å; E127-W313 HydrophobicContact CG-CE3 4.43Å; E127-W313 PolarHBondContact N-O 3.24Å; E127-Y411 HydrophobicContact CG-CD1 4.17Å; E127-Y411 HydrophobicContact CG-CE1 3.52Å; E127-G479 VanDerWaalsContact OE2-CA 3.23Å; E127-G479 WeakPolarHBondContact OE2-CA 3.49Å; E127-R480 VanDerWaalsContact OE1-CB 3.3Å; E127-R480 WeakPolarHBondContact OE1-CB 3.43Å; E127-R480 VanDerWaalsContact OE1-CD 3.28Å; E127-R480 WeakPolarHBondContact OE1-CD 3.27Å; E127-R480 WeakPolarHBondContact OE1-CG 3.49Å; E127-R480 IonicContact OE1-CZ 2.73Å; E127-R480 IonicContact OE1-NE 2.67Å; E127-R480 IonicContact OE1-NH1 2.72Å; E127-R480 PolarHBondContact OE1-NH1 2.9Å; E127-R480 PolarHBondContact OE2-N 3.3Å
128	M	98.8	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	53.3	28.3	179.9	-152.7	179.8	164.5	0	0	115.3	W126 G130 L131 A133 L136 L143 R480 I487	W126-M128 PolarHBondContact O-N 3.48Å; W126-M128 VanDerWaalsContact O-N 3.07Å; M128-G130 PolarHBondContact O-N 2.89Å; M128-L131 HydrophobicContact CE-CB 4.42Å; M128-L131 HydrophobicContact CG-CB 4.3Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 2.81Å; M128-L131 VanDerWaalsContact O-N 3.13Å; M128-L131 HydrophobicContact SD-CB 4.41Å; M128-A133 HydrophobicContact SD-CB 4.33Å; M128-L136 HydrophobicContact CE-CD1 3.76Å; M128-L136 HydrophobicContact CE-CD2 3.6Å; M128-L136 HydrophobicContact CE-CG 3.6Å; M128-L136 HydrophobicContact SD-CD1 4.18Å; M128-L136 HydrophobicContact SD-CG 4.4Å; M128-L143 HydrophobicContact CE-CD1 3.38Å; M128-L143 HydrophobicContact CE-CD2 4.47Å; M128-R480 HydrophobicContact CB-CB 3.7Å; M128-R480 HydrophobicContact CB-CG 4.41Å; M128-R480 HydrophobicContact CG-CB 4Å; M128-R480 WeakPolarHBondContact SD-CD 3.49Å; M128-I487 WeakPolarHBondContact CE-O 3.38Å
129	G	98.8	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	64.5	26.9	-177.2	0	0	0	0	0	113	I122 C123 W126 E127 L131	I122-G129 VanDerWaalsContact CG1-O 3.27Å; I122-G129 WeakPolarHBondContact CG1-O 3.42Å; I122-G129 PolarHBondContact N-O 3.22Å; C123-G129 WeakPolarHBondContact O-CA 3.32Å; W126-G129 PolarHBondContact O-N 2.98Å; E127-G129 PolarHBondContact O-N 3.21Å; E127-G129 VanDerWaalsContact O-N 3.13Å; G129-L131 VanDerWaalsContact C-N 3.26Å; G129-L131 PolarHBondContact O-N 3.19Å
130	G	98.8	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	81.2	-4.9	-175.8	0	0	0	0	0	114.9	W82 N83 E127 M128	W82-G130 WeakPolarHBondContact CB-O 3.38Å; W82-G130 PolarHBondContact N-O 2.94Å; N83-G130 PolarHBondContact N-O 3.33Å; E127-G130 PolarHBondContact O-N 3.43Å; M128-G130 PolarHBondContact O-N 2.89Å
131	L	98.9	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.			trans	-72.7	140	176.1	-63.2	177.3	0	0	0	110.8	W82 N83 Y121 M128 G129 L135 L143 R144 Y150 I487	W82-L131 HydrophobicContact CE3-CD2 3.9Å; W82-L131 HydrophobicContact CZ3-CD2 4.13Å; N83-L131 PolarHBondContact ND2-O 3.01Å; Y121-L131 HydrophobicContact CD2-CD1 4.07Å; Y121-L131 HydrophobicContact CD2-CG 4.22Å; M128-L131 HydrophobicContact CE-CB 4.42Å; M128-L131 HydrophobicContact CG-CB 4.3Å; M128-L131 WeakPolarHBondContact O-CB 3.36Å; M128-L131 PolarHBondContact O-N 2.81Å; M128-L131 VanDerWaalsContact O-N 3.13Å; M128-L131 HydrophobicContact SD-CB 4.41Å; G129-L131 VanDerWaalsContact C-N 3.26Å; G129-L131 PolarHBondContact O-N 3.19Å; L131-L135 HydrophobicContact CB-CD1 4.05Å; L131-L135 HydrophobicContact CD2-CD1 4.37Å; L131-L143 HydrophobicContact CD1-CB 4.29Å; L131-L143 HydrophobicContact CD1-CD1 4.15Å; L131-L143 HydrophobicContact CD1-CD2 4.36Å; L131-R144 HydrophobicContact CD1-CG 4.44Å; L131-Y150 HydrophobicContact CD1-CE2 4.49Å; L131-Y150 HydrophobicContact CD2-CE2 4.22Å; L131-I487 HydrophobicContact CD1-CD1 4.43Å
132	P	98.8	Very high	97.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.138	C	C	.	.			trans	-70.6	132.1	174.6	-18.3	29.9	0	0	0	112.3	W82 N83 W134 L135	W82-P132 HydrophobicContact CB-CG 4.37Å; W82-P132 HydrophobicContact CD2-CG 3.49Å; W82-P132 VanDerWaalsContact CD2-CG 3.49Å; W82-P132 VanDerWaalsContact CE2-CG 3.49Å; W82-P132 VanDerWaalsContact CE3-CD 3.41Å; W82-P132 HydrophobicContact CE3-CG 4.13Å; W82-P132 HydrophobicContact CG-CG 3.59Å; W82-P132 HydrophobicContact CZ2-CG 4.15Å; N83-P132 HydrophobicContact CB-CB 4.26Å; N83-P132 HydrophobicContact CB-CG 4.24Å; P132-W134 VanDerWaalsContact CB-CD1 3.44Å; P132-W134 HydrophobicContact CB-CD2 3.97Å; P132-W134 VanDerWaalsContact CB-CE2 3.4Å; P132-W134 HydrophobicContact CB-CG 3.98Å; P132-W134 HydrophobicContact CB-CZ2 3.96Å; P132-W134 HydrophobicContact CG-CZ2 3.88Å; P132-W134 PolarHBondContact O-N 3.18Å; P132-W134 VanDerWaalsContact O-N 3.13Å; P132-L135 VanDerWaalsContact O-CB 3.26Å; P132-L135 WeakPolarHBondContact O-CB 3.4Å; P132-L135 WeakPolarHBondContact O-CD1 3.37Å; P132-L135 VanDerWaalsContact O-CG 3.29Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 2.93Å
133	A	98.5	Very high	97.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.1	179.7	0	0	0	0	0	113.7	M128 L135 L136 Y410	M128-A133 HydrophobicContact SD-CB 4.33Å; A133-L135 PolarHBondContact O-N 3.25Å; A133-L135 VanDerWaalsContact O-N 3.17Å; A133-L136 WeakPolarHBondContact O-CB 3.45Å; A133-L136 PolarHBondContact O-N 2.92Å; A133-Y410 HydrophobicContact CB-CD1 3.63Å; A133-Y410 HydrophobicContact CB-CG 3.86Å
134	W	98.5	Very high	97.2	Very high	9 Å²	9	26 Å²	26	3%	0.034	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-63.1	-17.9	174.2	58.3	-109.2	0	0	0	113.1	W82 E86 Q89 P132 L136 Q137 A153 Y410	W82-W134 HydrophobicContact CH2-CH2 4.2Å; W82-W134 AromaticContact CZ2-CH2 3.61Å; W82-W134 HydrophobicContact CZ2-CH2 3.61Å; W82-W134 AromaticContact CZ2-CZ2 3.69Å; W82-W134 HydrophobicContact CZ2-CZ2 3.69Å; E86-W134 HydrophobicContact CG-CZ2 4.33Å; E86-W134 PolarHBondContact O-NE1 3.14Å; Q89-W134 HydrophobicContact CB-CD2 3.75Å; Q89-W134 HydrophobicContact CB-CE3 3.96Å; Q89-W134 HydrophobicContact CB-CG 4.19Å; Q89-W134 HydrophobicContact CB-CH2 4.39Å; Q89-W134 HydrophobicContact CB-CZ2 4.19Å; Q89-W134 HydrophobicContact CB-CZ3 4.28Å; Q89-W134 HydrophobicContact CG-CD2 4.17Å; Q89-W134 HydrophobicContact CG-CE3 3.92Å; Q89-W134 HydrophobicContact CG-CH2 3.84Å; Q89-W134 HydrophobicContact CG-CZ2 4.06Å; Q89-W134 HydrophobicContact CG-CZ3 3.76Å; P132-W134 VanDerWaalsContact CB-CD1 3.44Å; P132-W134 HydrophobicContact CB-CD2 3.97Å; P132-W134 VanDerWaalsContact CB-CE2 3.4Å; P132-W134 HydrophobicContact CB-CG 3.98Å; P132-W134 HydrophobicContact CB-CZ2 3.96Å; P132-W134 HydrophobicContact CG-CZ2 3.88Å; P132-W134 PolarHBondContact O-N 3.18Å; P132-W134 VanDerWaalsContact O-N 3.13Å; W134-L136 PolarHBondContact O-N 2.95Å; W134-Q137 WeakPolarHBondContact O-CB 3.21Å; W134-Q137 PolarHBondContact O-N 3.05Å; W134-Q137 VanDerWaalsContact O-N 3.1Å; W134-A153 HydrophobicContact CH2-CB 3.91Å; W134-A153 HydrophobicContact CZ3-CB 3.99Å; W134-Y410 HydrophobicContact CB-CE1 3.88Å; W134-Y410 HydrophobicContact CB-CE2 4.33Å; W134-Y410 WeakPolarHBondContact CB-OH 3.48Å
135	L	98.6	Very high	97.2	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.7	170.4	-71.4	170.5	0	0	0	112	W82 L131 P132 A133 Q137 K138 I141 L143 Y150 A153	W82-L135 HydrophobicContact CH2-CD1 4.2Å; W82-L135 HydrophobicContact CH2-CD2 4.07Å; W82-L135 HydrophobicContact CZ3-CD1 3.96Å; L131-L135 HydrophobicContact CB-CD1 4.05Å; L131-L135 HydrophobicContact CD2-CD1 4.37Å; P132-L135 VanDerWaalsContact O-CB 3.26Å; P132-L135 WeakPolarHBondContact O-CB 3.4Å; P132-L135 WeakPolarHBondContact O-CD1 3.37Å; P132-L135 VanDerWaalsContact O-CG 3.29Å; P132-L135 WeakPolarHBondContact O-CG 3.36Å; P132-L135 PolarHBondContact O-N 2.93Å; A133-L135 PolarHBondContact O-N 3.25Å; A133-L135 VanDerWaalsContact O-N 3.17Å; L135-Q137 PolarHBondContact O-N 2.99Å; L135-K138 PolarHBondContact O-N 2.68Å; L135-I141 HydrophobicContact CB-CD1 4.2Å; L135-I141 HydrophobicContact CD2-CD1 4.27Å; L135-L143 HydrophobicContact CB-CD2 4.13Å; L135-L143 HydrophobicContact CD1-CD2 4.06Å; L135-Y150 HydrophobicContact CD1-CD2 4.38Å; L135-Y150 HydrophobicContact CD1-CE2 4.23Å; L135-A153 HydrophobicContact CD2-CB 3.52Å
136	L	98.3	Very high	97.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-74.5	-4.5	-179.8	-56.1	-178.6	0	0	0	113.3	M128 A133 W134 K138 I141 L143 E405 N488 Y490	M128-L136 HydrophobicContact CE-CD1 3.76Å; M128-L136 HydrophobicContact CE-CD2 3.6Å; M128-L136 HydrophobicContact CE-CG 3.6Å; M128-L136 HydrophobicContact SD-CD1 4.18Å; M128-L136 HydrophobicContact SD-CG 4.4Å; A133-L136 WeakPolarHBondContact O-CB 3.45Å; A133-L136 PolarHBondContact O-N 2.92Å; W134-L136 PolarHBondContact O-N 2.95Å; L136-K138 PolarHBondContact O-N 2.85Å; L136-I141 HydrophobicContact CD2-CG2 4.18Å; L136-L143 HydrophobicContact CD2-CD1 4.17Å; L136-E405 HydrophobicContact CB-CB 4.33Å; L136-E405 HydrophobicContact CB-CG 3.96Å; L136-E405 HydrophobicContact CD1-CG 4.29Å; L136-N488 HydrophobicContact CD2-CB 4.12Å; L136-Y490 HydrophobicContact CB-CD1 4.24Å; L136-Y490 HydrophobicContact CB-CE1 3.75Å; L136-Y490 WeakPolarHBondContact O-CE1 3.39Å; L136-Y490 PolarHBondContact O-OH 2.7Å
137	Q	96.1	Very high	97.2	Very high	67 Å²	67	28.3 Å²	28.3	31%	0.313	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-67.7	-17.5	168.2	-72.7	176.8	65.3	0	0	112.2	W134 L135 P139 E405 Y410	W134-Q137 WeakPolarHBondContact O-CB 3.21Å; W134-Q137 PolarHBondContact O-N 3.05Å; W134-Q137 VanDerWaalsContact O-N 3.1Å; L135-Q137 PolarHBondContact O-N 2.99Å; Q137-P139 VanDerWaalsContact O-CD 3.29Å; Q137-P139 WeakPolarHBondContact O-CD 3.36Å; Q137-E405 HydrophobicContact CG-CB 4.48Å; Q137-E405 WeakPolarHBondContact CG-O 3.41Å; Q137-Y410 PolarHBondContact NE2-OH 3.2Å
138	K	94.1	Very high	97.2	Very high	90 Å²	90	33.5 Å²	33.5	39%	0.391	19%	0.186	S	C	.	.	S	Bend	trans	-84.5	110.3	173.4	-66.9	-68.6	-173.3	140.2	0	109.1	L135 L136 N140 I141 D149	L135-K138 PolarHBondContact O-N 2.68Å; L136-K138 PolarHBondContact O-N 2.85Å; K138-N140 PolarHBondContact O-N 2.87Å; K138-I141 HydrophobicContact CB-CB 4.1Å; K138-I141 HydrophobicContact CB-CD1 4.3Å; K138-I141 WeakPolarHBondContact O-CB 3.27Å; K138-I141 WeakPolarHBondContact O-CG2 3.4Å; K138-I141 PolarHBondContact O-N 2.77Å; K138-D149 HydrophobicContact CB-CB 4.45Å; K138-D149 HydrophobicContact CD-CB 4.42Å; K138-D149 WeakPolarHBondContact CE-OD1 3.27Å; K138-D149 HydrophobicContact CG-CB 4.18Å; K138-D149 IonicContact NZ-OD1 3.68Å; K138-D149 PolarHBondContact NZ-OD1 2.9Å
139	P	86.1	Confident	97.1	Very high	101 Å²	101	36.1 Å²	36.1	66%	0.656	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	137.9	-179.4	-21.5	33.8	0	0	0	110.5	Q137 I141	Q137-P139 VanDerWaalsContact O-CD 3.29Å; Q137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-I141 PolarHBondContact O-N 3.34Å
140	N	90.3	Very high	97.1	Very high	149 Å²	149	36.1 Å²	36.1	80%	0.797	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	15.3	178.1	-45.1	-57.3	0	0	0	115.9	K138 I142	K138-N140 PolarHBondContact O-N 2.87Å; N140-I142 PolarHBondContact O-N 2.85Å
141	I	96.9	Very high	97.1	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.046	21%	0.207	C	C	.	.			trans	-54.4	129.1	174.6	-167.7	170.5	0	0	0	110.8	L135 L136 K138 P139 L143 D147 Y150	L135-I141 HydrophobicContact CB-CD1 4.2Å; L135-I141 HydrophobicContact CD2-CD1 4.27Å; L136-I141 HydrophobicContact CD2-CG2 4.18Å; K138-I141 HydrophobicContact CB-CB 4.1Å; K138-I141 HydrophobicContact CB-CD1 4.3Å; K138-I141 WeakPolarHBondContact O-CB 3.27Å; K138-I141 WeakPolarHBondContact O-CG2 3.4Å; K138-I141 PolarHBondContact O-N 2.77Å; P139-I141 PolarHBondContact O-N 3.34Å; I141-L143 HydrophobicContact CD1-CD2 4.15Å; I141-L143 HydrophobicContact CG1-CD2 4.33Å; I141-L143 HydrophobicContact CG2-CD2 4.28Å; I141-D147 WeakPolarHBondContact CA-OD2 3.33Å; I141-Y150 HydrophobicContact CD1-CD2 4.39Å
142	I	97.9	Very high	97.1	Very high	84 Å²	84	43.6 Å²	43.6	43%	0.431	24%	0.236	S	C	.	.			trans	-98.6	96.2	172.4	-52.2	178.7	0	0	0	108.1	N140 S145 D147	N140-I142 PolarHBondContact O-N 2.85Å; I142-S145 WeakPolarHBondContact CB-OG 3.35Å; I142-S145 WeakPolarHBondContact CG2-OG 3.36Å; I142-S145 PolarHBondContact O-OG 2.94Å; I142-D147 HydrophobicContact CB-CB 4.27Å; I142-D147 PolarHBondContact N-OD2 3.33Å; I142-D147 WeakPolarHBondContact O-CB 3.47Å
143	L	98.6	Very high	97.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	149.8	177	-58.6	173.6	0	0	0	111	M128 L131 L135 L136 I141 S145 Y150 Y188 I487 N488	M128-L143 HydrophobicContact CE-CD1 3.38Å; M128-L143 HydrophobicContact CE-CD2 4.47Å; L131-L143 HydrophobicContact CD1-CB 4.29Å; L131-L143 HydrophobicContact CD1-CD1 4.15Å; L131-L143 HydrophobicContact CD1-CD2 4.36Å; L135-L143 HydrophobicContact CB-CD2 4.13Å; L135-L143 HydrophobicContact CD1-CD2 4.06Å; L136-L143 HydrophobicContact CD2-CD1 4.17Å; I141-L143 HydrophobicContact CD1-CD2 4.15Å; I141-L143 HydrophobicContact CG1-CD2 4.33Å; I141-L143 HydrophobicContact CG2-CD2 4.28Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.32Å; L143-Y150 HydrophobicContact CD2-CD2 3.83Å; L143-Y150 HydrophobicContact CD2-CE2 4.02Å; L143-Y188 VanDerWaalsContact O-CE1 3.28Å; L143-Y188 WeakPolarHBondContact O-CE1 3.48Å; L143-Y188 PolarHBondContact O-OH 3.08Å; L143-I487 HydrophobicContact CB-CD1 4.07Å; L143-I487 HydrophobicContact CD1-CD1 4.2Å; L143-I487 HydrophobicContact CD1-CG1 4.08Å; L143-N488 HydrophobicContact CD1-CB 4.2Å
144	R	98.7	Very high	97.1	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	40.9	177.7	-50.5	172.4	68.1	-169.5	-0.2	112.9	Y121 L131 Y150 E182 N183 E184 Y185 Y188 Y195 I487	Y121-R144 VanDerWaalsContact CD1-NE 3.32Å; Y121-R144 HydrophobicContact CD2-CG 4.49Å; Y121-R144 HydrophobicContact CG-CG 4.24Å; Y121-R144 PolarHBondContact OH-NH1 2.85Å; L131-R144 HydrophobicContact CD1-CG 4.44Å; R144-Y150 VanDerWaalsContact CA-CE1 3.45Å; R144-Y150 VanDerWaalsContact N-CZ 3.26Å; R144-E182 IonicContact CZ-OE1 2.66Å; R144-E182 IonicContact CZ-OE2 3.91Å; R144-E182 IonicContact NE-OE1 3.93Å; R144-E182 PolarHBondContact NE-OE1 3.04Å; R144-E182 IonicContact NE-OE2 3.39Å; R144-E182 IonicContact NH2-OE1 2.78Å; R144-E182 PolarHBondContact NH2-OE1 2.97Å; R144-E182 IonicContact NH2-OE2 2.81Å; R144-E182 PolarHBondContact NH2-OE2 3.28Å; R144-N183 PolarHBondContact NH2-O 3.2Å; R144-E184 PolarHBondContact NH2-O 2.86Å; R144-Y185 HydrophobicContact CB-CE2 4.05Å; R144-Y185 WeakPolarHBondContact O-CE2 3.33Å; R144-Y185 PolarHBondContact O-OH 3.04Å; R144-Y188 HydrophobicContact CB-CD1 3.88Å; R144-Y188 HydrophobicContact CB-CE1 3.7Å; R144-Y195 HydrophobicContact CB-CE1 4.08Å; R144-Y195 WeakPolarHBondContact O-CD1 3.26Å; R144-I487 HydrophobicContact CG-CD1 4.15Å
145	S	98.8	Very high	97.1	Very high	8 Å²	8	44.9 Å²	44.9	6%	0.056	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	179.6	177.4	79.6	0	0	0	0	111.1	I142 L143 D147 Y150	I142-S145 WeakPolarHBondContact CB-OG 3.35Å; I142-S145 WeakPolarHBondContact CG2-OG 3.36Å; I142-S145 PolarHBondContact O-OG 2.94Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.32Å; S145-D147 PolarHBondContact O-N 3.1Å; S145-D147 WeakPolarHBondContact OG-CB 3.37Å; S145-D147 PolarHBondContact OG-N 2.84Å; S145-Y150 WeakPolarHBondContact O-CD1 3.37Å
146	A	98.4	Very high	97.1	Very high	33 Å²	33	47.8 Å²	47.8	27%	0.273	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	18.7	174.3	0	0	0	0	0	113.7	T148 L151 D192 N194	A146-T148 PolarHBondContact O-N 2.93Å; A146-L151 HydrophobicContact CB-CD1 4.19Å; A146-D192 WeakPolarHBondContact CB-OD2 3.2Å; A146-D192 PolarHBondContact N-OD2 3.23Å; A146-N194 HydrophobicContact CB-CB 3.92Å
147	D	98.7	Very high	97.2	Very high	33 Å²	33	47.7 Å²	47.7	18%	0.176	27%	0.267	C	S	.	.			trans	-50.2	128.7	166.4	179.7	-57.7	0	0	0	110.6	I141 I142 S145 D149 Y150 L151	I141-D147 WeakPolarHBondContact CA-OD2 3.33Å; I142-D147 HydrophobicContact CB-CB 4.27Å; I142-D147 PolarHBondContact N-OD2 3.33Å; I142-D147 WeakPolarHBondContact O-CB 3.47Å; S145-D147 PolarHBondContact O-N 3.1Å; S145-D147 WeakPolarHBondContact OG-CB 3.37Å; S145-D147 PolarHBondContact OG-N 2.84Å; D147-D149 PolarHBondContact O-N 3.27Å; D147-D149 WeakPolarHBondContact OD1-CB 3.34Å; D147-D149 PolarHBondContact OD1-N 3.14Å; D147-Y150 PolarHBondContact O-N 2.92Å; D147-Y150 PolarHBondContact OD1-N 2.81Å; D147-Y150 VanDerWaalsContact OD1-N 3.11Å; D147-L151 WeakPolarHBondContact O-CB 3.29Å; D147-L151 WeakPolarHBondContact O-CG 3.5Å; D147-L151 PolarHBondContact O-N 2.85Å
148	T	98.1	Very high	97.3	Very high	111 Å²	111	44.5 Å²	44.5	68%	0.681	25%	0.252	S	S	*	.	H	α-helix	trans	-63.3	-40.6	-173.1	46.4	0	0	0	0	113.3	A146 E152	A146-T148 PolarHBondContact O-N 2.93Å; T148-E152 WeakPolarHBondContact O-CB 3.48Å; T148-E152 PolarHBondContact O-N 3.24Å
149	D	98.1	Very high	97.5	Very high	54 Å²	54	42.3 Å²	42.3	29%	0.289	25%	0.25	S	S	.	.	H	α-helix	trans	-69.5	-39.1	179.2	-76.8	-66.5	0	0	0	110.2	K138 D147 A153	K138-D149 HydrophobicContact CB-CB 4.45Å; K138-D149 HydrophobicContact CD-CB 4.42Å; K138-D149 WeakPolarHBondContact CE-OD1 3.27Å; K138-D149 HydrophobicContact CG-CB 4.18Å; K138-D149 IonicContact NZ-OD1 3.68Å; K138-D149 PolarHBondContact NZ-OD1 2.9Å; D147-D149 PolarHBondContact O-N 3.27Å; D147-D149 WeakPolarHBondContact OD1-CB 3.34Å; D147-D149 PolarHBondContact OD1-N 3.14Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.76Å
150	Y	98.8	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-47.1	175.4	-177.9	-107.2	0	0	0	111.9	L131 L135 I141 L143 R144 S145 D147 E152 A153 V154 Y195	L131-Y150 HydrophobicContact CD1-CE2 4.49Å; L131-Y150 HydrophobicContact CD2-CE2 4.22Å; L135-Y150 HydrophobicContact CD1-CD2 4.38Å; L135-Y150 HydrophobicContact CD1-CE2 4.23Å; I141-Y150 HydrophobicContact CD1-CD2 4.39Å; L143-Y150 HydrophobicContact CD2-CD2 3.83Å; L143-Y150 HydrophobicContact CD2-CE2 4.02Å; R144-Y150 VanDerWaalsContact CA-CE1 3.45Å; R144-Y150 VanDerWaalsContact N-CZ 3.26Å; S145-Y150 WeakPolarHBondContact O-CD1 3.37Å; D147-Y150 PolarHBondContact O-N 2.92Å; D147-Y150 PolarHBondContact OD1-N 2.81Å; D147-Y150 VanDerWaalsContact OD1-N 3.11Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; Y150-E152 PolarHBondContact O-N 2.95Å; Y150-A153 PolarHBondContact O-N 3.29Å; Y150-V154 HydrophobicContact CD1-CG2 4.1Å; Y150-V154 HydrophobicContact CD2-CG2 4.28Å; Y150-V154 HydrophobicContact CE1-CG2 3.68Å; Y150-V154 HydrophobicContact CE2-CG2 3.87Å; Y150-V154 HydrophobicContact CG-CG2 4.38Å; Y150-V154 WeakPolarHBondContact O-CB 3.34Å; Y150-V154 VanDerWaalsContact O-CG2 3.31Å; Y150-V154 WeakPolarHBondContact O-CG2 3.3Å; Y150-V154 PolarHBondContact O-N 3.28Å; Y150-Y195 HydrophobicContact CD1-CE2 4.4Å; Y150-Y195 HydrophobicContact CE1-CD2 4.18Å; Y150-Y195 AromaticContact CE1-CE2 3.55Å; Y150-Y195 HydrophobicContact CE1-CE2 3.55Å; Y150-Y195 AromaticContact CE1-CZ 3.92Å; Y150-Y195 PolarHBondContact OH-OH 3.23Å
151	L	98.6	Very high	98.5	Very high	28 Å²	28	32.4 Å²	32.4	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-38.3	179	-71.4	-170.2	0	0	0	112.4	A146 D147 V154 S155 Y195 H198	A146-L151 HydrophobicContact CB-CD1 4.19Å; D147-L151 WeakPolarHBondContact O-CB 3.29Å; D147-L151 WeakPolarHBondContact O-CG 3.5Å; D147-L151 PolarHBondContact O-N 2.85Å; L151-V154 PolarHBondContact O-N 2.68Å; L151-S155 VanDerWaalsContact O-CB 3.25Å; L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 3.04Å; L151-S155 PolarHBondContact O-OG 3.34Å; L151-Y195 HydrophobicContact CD2-CD2 3.77Å; L151-Y195 HydrophobicContact CD2-CE2 4.5Å; L151-H198 HydrophobicContact CD2-CB 4.35Å
152	E	98.5	Very high	98.6	Very high	130 Å²	130	32 Å²	32	61%	0.607	19%	0.191	S	C	*	.	H	α-helix	trans	-62.4	-46	176.2	-175.7	177.3	-177.6	0	0	111.2	T148 Y150 S155 S156	T148-E152 WeakPolarHBondContact O-CB 3.48Å; T148-E152 PolarHBondContact O-N 3.24Å; Y150-E152 VanDerWaalsContact C-N 3.34Å; Y150-E152 PolarHBondContact O-N 2.95Å; E152-S155 PolarHBondContact O-N 2.72Å; E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.75Å; E152-S156 PolarHBondContact O-OG 3.24Å
153	A	98.7	Very high	98.7	Very high	8 Å²	8	30.7 Å²	30.7	7%	0.066	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-47.1	177.1	0	0	0	0	0	111.9	W82 W134 L135 D149 Y150 S155 S156 W157	W82-A153 HydrophobicContact CH2-CB 3.83Å; W82-A153 HydrophobicContact CZ2-CB 4.31Å; W134-A153 HydrophobicContact CH2-CB 3.91Å; W134-A153 HydrophobicContact CZ3-CB 3.99Å; L135-A153 HydrophobicContact CD2-CB 3.52Å; D149-A153 WeakPolarHBondContact O-CB 3.41Å; D149-A153 PolarHBondContact O-N 2.76Å; Y150-A153 PolarHBondContact O-N 3.29Å; A153-S155 VanDerWaalsContact C-N 3.35Å; A153-S155 PolarHBondContact O-N 3.16Å; A153-S156 PolarHBondContact O-N 2.63Å; A153-W157 PolarHBondContact O-N 3.47Å
154	V	98.8	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-43.7	176.5	165.9	0	0	0	0	111.5	W82 P120 Y150 L151 S156 W157 L158 L199	W82-V154 HydrophobicContact CH2-CG2 4.13Å; W82-V154 HydrophobicContact CZ3-CG2 3.81Å; P120-V154 HydrophobicContact CB-CG1 4.38Å; P120-V154 HydrophobicContact CB-CG2 4.19Å; P120-V154 HydrophobicContact CG-CG1 3.87Å; P120-V154 HydrophobicContact CG-CG2 3.82Å; Y150-V154 HydrophobicContact CD1-CG2 4.1Å; Y150-V154 HydrophobicContact CD2-CG2 4.28Å; Y150-V154 HydrophobicContact CE1-CG2 3.68Å; Y150-V154 HydrophobicContact CE2-CG2 3.87Å; Y150-V154 HydrophobicContact CG-CG2 4.38Å; Y150-V154 WeakPolarHBondContact O-CB 3.34Å; Y150-V154 VanDerWaalsContact O-CG2 3.31Å; Y150-V154 WeakPolarHBondContact O-CG2 3.3Å; Y150-V154 PolarHBondContact O-N 3.28Å; L151-V154 PolarHBondContact O-N 2.68Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 2.88Å; V154-W157 PolarHBondContact O-N 2.84Å; V154-L158 HydrophobicContact CG1-CD1 3.7Å; V154-L158 HydrophobicContact CG1-CG 4.26Å; V154-L158 WeakPolarHBondContact O-CB 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.35Å; V154-L158 PolarHBondContact O-N 3.06Å; V154-L199 HydrophobicContact CG1-CD2 3.61Å
155	S	98.8	Very high	98.6	Very high	29 Å²	29	34 Å²	34	20%	0.203	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-41	179.5	-56.6	0	0	0	0	111.2	L151 E152 A153 A159 H198	L151-S155 VanDerWaalsContact O-CB 3.25Å; L151-S155 WeakPolarHBondContact O-CB 3.3Å; L151-S155 PolarHBondContact O-N 3.04Å; L151-S155 PolarHBondContact O-OG 3.34Å; E152-S155 PolarHBondContact O-N 2.72Å; A153-S155 VanDerWaalsContact C-N 3.35Å; A153-S155 PolarHBondContact O-N 3.16Å; S155-A159 VanDerWaalsContact O-CB 3.24Å; S155-A159 WeakPolarHBondContact O-CB 2.97Å; S155-A159 PolarHBondContact O-N 2.86Å; S155-H198 PolarHBondContact OG-NE2 2.79Å
156	S	98.7	Very high	98.6	Very high	65 Å²	65	37.7 Å²	37.7	46%	0.455	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-45.8	177.1	-58.9	0	0	0	0	111.6	E152 A153 V154 A159 V160	E152-S156 WeakPolarHBondContact O-CB 3.42Å; E152-S156 PolarHBondContact O-N 2.75Å; E152-S156 PolarHBondContact O-OG 3.24Å; A153-S156 PolarHBondContact O-N 2.63Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 2.88Å; S156-A159 PolarHBondContact O-N 2.87Å; S156-V160 PolarHBondContact O-N 3.08Å
157	W	98.8	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-49.6	177.2	165.8	-125.6	0	0	0	112.7	V80 W82 H85 H92 F94 A153 V154 A159 V160 L161	V80-W157 HydrophobicContact CG1-CZ2 4.14Å; W82-W157 HydrophobicContact CB-CD2 4.47Å; W82-W157 HydrophobicContact CB-CZ2 4.29Å; W82-W157 AromaticContact CD1-CD1 3.8Å; W82-W157 AromaticContact CD1-CD2 3.27Å; W82-W157 AromaticContact CD1-CE2 3.55Å; W82-W157 AromaticContact CD1-CE3 3.66Å; W82-W157 AromaticContact CD1-CG 3.47Å; W82-W157 VanDerWaalsContact CD1-CG 3.47Å; W82-W157 AromaticContact CD1-NE1 3.84Å; W82-W157 HydrophobicContact CD2-CB 4.08Å; W82-W157 AromaticContact CD2-CD1 3.56Å; W82-W157 HydrophobicContact CD2-CD2 4.3Å; W82-W157 AromaticContact CD2-CG 3.71Å; W82-W157 HydrophobicContact CD2-CG 3.71Å; W82-W157 VanDerWaalsContact CE2-CB 3.43Å; W82-W157 AromaticContact CE2-CD1 3.86Å; W82-W157 AromaticContact CE2-CG 3.52Å; W82-W157 HydrophobicContact CE3-CG 4.47Å; W82-W157 AromaticContact CG-CD1 3.58Å; W82-W157 AromaticContact CG-CD2 3.82Å; W82-W157 HydrophobicContact CG-CD2 3.82Å; W82-W157 AromaticContact CG-CE2 3.74Å; W82-W157 AromaticContact CG-CG 3.73Å; W82-W157 HydrophobicContact CG-CG 3.73Å; W82-W157 HydrophobicContact CG-CZ2 4.44Å; W82-W157 AromaticContact CG-NE1 3.58Å; W82-W157 HydrophobicContact CH2-CB 4.27Å; W82-W157 HydrophobicContact CZ2-CB 3.54Å; W82-W157 HydrophobicContact CZ2-CG 4.13Å; W82-W157 AromaticContact NE1-CD1 3.98Å; W82-W157 AromaticContact NE1-CD2 3.54Å; W82-W157 AromaticContact NE1-CE3 3.85Å; W82-W157 AromaticContact NE1-CG 3.37Å; H85-W157 HydrophobicContact CB-CH2 3.34Å; H85-W157 HydrophobicContact CB-CZ2 4.27Å; H85-W157 HydrophobicContact CB-CZ3 3.75Å; H85-W157 AromaticContact CD2-CH2 3.94Å; H85-W157 AromaticContact CG-CH2 3.83Å; H92-W157 AromaticContact CD2-CZ3 3.99Å; F94-W157 HydrophobicContact CE1-CH2 4.32Å; F94-W157 HydrophobicContact CE2-CZ3 4.36Å; F94-W157 AromaticContact CZ-CH2 3.66Å; F94-W157 HydrophobicContact CZ-CH2 3.66Å; F94-W157 AromaticContact CZ-CZ3 3.85Å; F94-W157 HydrophobicContact CZ-CZ3 3.85Å; A153-W157 PolarHBondContact O-N 3.47Å; V154-W157 PolarHBondContact O-N 2.84Å; W157-A159 PolarHBondContact O-N 2.93Å; W157-V160 WeakPolarHBondContact O-CA 3.49Å; W157-V160 WeakPolarHBondContact O-CB 3.38Å; W157-V160 PolarHBondContact O-N 3.14Å; W157-L161 HydrophobicContact CD2-CB 4.44Å; W157-L161 HydrophobicContact CH2-CB 4.06Å; W157-L161 HydrophobicContact CH2-CD1 4.24Å; W157-L161 HydrophobicContact CH2-CD2 4.48Å; W157-L161 HydrophobicContact CH2-CG 4.48Å; W157-L161 HydrophobicContact CZ2-CB 3.91Å; W157-L161 HydrophobicContact CZ2-CD1 4.22Å; W157-L161 HydrophobicContact CZ2-CD2 3.69Å; W157-L161 HydrophobicContact CZ2-CG 4.14Å; W157-L161 HydrophobicContact CZ3-CB 4.41Å; W157-L161 PolarHBondContact O-N 2.04Å
158	L	98.9	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-28.8	-179	-68.3	178	0	0	0	112	V154 V160 L162 L199 L202 F203	V154-L158 HydrophobicContact CG1-CD1 3.7Å; V154-L158 HydrophobicContact CG1-CG 4.26Å; V154-L158 WeakPolarHBondContact O-CB 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.35Å; V154-L158 PolarHBondContact O-N 3.06Å; L158-V160 PolarHBondContact O-N 3.49Å; L158-L162 HydrophobicContact CB-CD1 3.89Å; L158-L162 HydrophobicContact CB-CG 4.1Å; L158-L162 HydrophobicContact CD2-CD1 4.31Å; L158-L162 HydrophobicContact CD2-CD2 4.28Å; L158-L162 HydrophobicContact CD2-CG 4.14Å; L158-L162 HydrophobicContact CG-CD1 4.5Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.39Å; L158-L162 PolarHBondContact O-N 3.32Å; L158-L199 HydrophobicContact CD1-CD2 3.89Å; L158-L202 HydrophobicContact CB-CD1 4.46Å; L158-L202 HydrophobicContact CD1-CB 4.43Å; L158-L202 HydrophobicContact CD1-CD1 3.84Å; L158-F203 HydrophobicContact CD1-CD2 4.21Å; L158-F203 HydrophobicContact CD1-CE2 3.63Å; L158-F203 HydrophobicContact CD2-CE2 4.01Å; L158-F203 HydrophobicContact CD2-CZ 4.26Å; L158-F203 HydrophobicContact CG-CE2 4.47Å
159	A	98.8	Very high	98.7	Very high	44 Å²	44	34.9 Å²	34.9	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-66.9	-16.9	171.1	0	0	0	0	0	113.7	S155 S156 W157 P163 F206	S155-A159 VanDerWaalsContact O-CB 3.24Å; S155-A159 WeakPolarHBondContact O-CB 2.97Å; S155-A159 PolarHBondContact O-N 2.86Å; S156-A159 PolarHBondContact O-N 2.87Å; W157-A159 PolarHBondContact O-N 2.93Å; A159-P163 WeakPolarHBondContact O-CD 3.49Å; A159-P163 VanDerWaalsContact O-CG 3.26Å; A159-P163 WeakPolarHBondContact O-CG 3.5Å; A159-F206 HydrophobicContact CB-CE1 4.49Å; A159-F206 HydrophobicContact CB-CE2 4.14Å; A159-F206 HydrophobicContact CB-CZ 3.66Å
160	V	98.8	Very high	98.7	Very high	41 Å²	41	33 Å²	33	25%	0.248	18%	0.184	C	C	.	.	H	α-helix	trans	-92.5	-49.9	171.6	175.6	0	0	0	0	110.9	F94 S156 W157 L158 K164	F94-V160 HydrophobicContact CE2-CG1 4.12Å; S156-V160 PolarHBondContact O-N 3.08Å; W157-V160 WeakPolarHBondContact O-CA 3.49Å; W157-V160 WeakPolarHBondContact O-CB 3.38Å; W157-V160 PolarHBondContact O-N 3.14Å; L158-V160 PolarHBondContact O-N 3.49Å; V160-K164 WeakPolarHBondContact O-CG 3.35Å
161	L	98.9	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-48.7	-175	179.1	65.4	0	0	0	112.6	V80 F94 L100 P118 W157 K164 I165	V80-L161 HydrophobicContact CB-CD2 4.28Å; V80-L161 HydrophobicContact CG1-CD1 3.94Å; V80-L161 HydrophobicContact CG1-CD2 3.93Å; F94-L161 HydrophobicContact CE1-CD1 4.15Å; F94-L161 HydrophobicContact CZ-CD1 4.33Å; L100-L161 HydrophobicContact CD2-CD1 3.99Å; P118-L161 HydrophobicContact CB-CD2 3.61Å; W157-L161 HydrophobicContact CD2-CB 4.44Å; W157-L161 HydrophobicContact CH2-CB 4.06Å; W157-L161 HydrophobicContact CH2-CD1 4.24Å; W157-L161 HydrophobicContact CH2-CD2 4.48Å; W157-L161 HydrophobicContact CH2-CG 4.48Å; W157-L161 HydrophobicContact CZ2-CB 3.91Å; W157-L161 HydrophobicContact CZ2-CD1 4.22Å; W157-L161 HydrophobicContact CZ2-CD2 3.69Å; W157-L161 HydrophobicContact CZ2-CG 4.14Å; W157-L161 HydrophobicContact CZ3-CB 4.41Å; W157-L161 PolarHBondContact O-N 2.04Å; L161-K164 WeakPolarHBondContact O-CB 3.39Å; L161-K164 PolarHBondContact O-N 3Å; L161-I165 HydrophobicContact CD1-CG2 4.09Å; L161-I165 HydrophobicContact CG-CG2 4.39Å; L161-I165 PolarHBondContact O-N 3.16Å
162	L	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-38.6	-169	-60.4	-178.8	0	0	0	113.4	L158 K164 I165 K166 F203 F206 L207	L158-L162 HydrophobicContact CB-CD1 3.89Å; L158-L162 HydrophobicContact CB-CG 4.1Å; L158-L162 HydrophobicContact CD2-CD1 4.31Å; L158-L162 HydrophobicContact CD2-CD2 4.28Å; L158-L162 HydrophobicContact CD2-CG 4.14Å; L158-L162 HydrophobicContact CG-CD1 4.5Å; L158-L162 WeakPolarHBondContact O-CB 3.28Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.39Å; L158-L162 PolarHBondContact O-N 3.32Å; L162-K164 VanDerWaalsContact C-N 3.29Å; L162-K164 PolarHBondContact O-N 3.03Å; L162-I165 HydrophobicContact CD2-CD1 3.62Å; L162-I165 HydrophobicContact CD2-CG1 4.36Å; L162-I165 WeakPolarHBondContact O-CG1 3.44Å; L162-I165 PolarHBondContact O-N 3.17Å; L162-K166 PolarHBondContact O-N 3.37Å; L162-K166 VanDerWaalsContact O-N 3.08Å; L162-F203 HydrophobicContact CD1-CD2 3.94Å; L162-F203 HydrophobicContact CD1-CE2 4.32Å; L162-F203 HydrophobicContact CD1-CG 4.11Å; L162-F203 HydrophobicContact CD2-CD1 4.29Å; L162-F203 HydrophobicContact CD2-CE1 4.15Å; L162-F203 HydrophobicContact CD2-CZ 4.34Å; L162-F206 HydrophobicContact CB-CB 3.52Å; L162-F206 HydrophobicContact CB-CD2 4.13Å; L162-F206 HydrophobicContact CB-CG 3.9Å; L162-F206 HydrophobicContact CD1-CB 4.04Å; L162-F206 HydrophobicContact CD1-CD2 3.84Å; L162-F206 HydrophobicContact CD1-CG 4.31Å; L162-F206 HydrophobicContact CG-CB 4.46Å; L162-L207 HydrophobicContact CB-CD2 4.11Å; L162-L207 HydrophobicContact CD2-CD1 4.29Å; L162-L207 HydrophobicContact CD2-CD2 4.4Å; L162-L207 HydrophobicContact CD2-CG 4.48Å; L162-L207 WeakPolarHBondContact O-CD2 3.49Å
163	P	98.8	Very high	98.5	Very high	58 Å²	58	34.4 Å²	34.4	38%	0.377	20%	0.203	S	C	.	.	H	α-helix	trans	-61.1	-34	170.9	-28.1	38.2	0	0	0	114.1	A159 P167 F206	A159-P163 WeakPolarHBondContact O-CD 3.49Å; A159-P163 VanDerWaalsContact O-CG 3.26Å; A159-P163 WeakPolarHBondContact O-CG 3.5Å; P163-P167 WeakPolarHBondContact O-CD 3.46Å; P163-F206 HydrophobicContact CG-CD1 3.7Å; P163-F206 HydrophobicContact CG-CE1 3.9Å
164	K	98.6	Very high	98.5	Very high	69 Å²	69	34.2 Å²	34.2	30%	0.3	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-35.9	177.3	-69.5	179.4	150.4	-63	0	112.5	F94 E101 V160 L161 L162 P167	F94-K164 HydrophobicContact CD1-CD 4.47Å; F94-K164 HydrophobicContact CD2-CD 4.19Å; F94-K164 HydrophobicContact CE1-CD 4.26Å; F94-K164 HydrophobicContact CE2-CD 3.95Å; F94-K164 HydrophobicContact CG-CD 4.43Å; F94-K164 HydrophobicContact CZ-CD 3.98Å; E101-K164 IonicContact OE2-NZ 3.21Å; E101-K164 PolarHBondContact OE2-NZ 2.93Å; V160-K164 WeakPolarHBondContact O-CG 3.35Å; L161-K164 WeakPolarHBondContact O-CB 3.39Å; L161-K164 PolarHBondContact O-N 3Å; L162-K164 VanDerWaalsContact C-N 3.29Å; L162-K164 PolarHBondContact O-N 3.03Å; K164-P167 WeakPolarHBondContact O-CD 3.49Å
165	I	97.9	Very high	98.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-83.5	-19.5	179.7	71.2	171.1	0	0	0	112.9	L100 L116 L161 L162 W168 L169 I176 L207	L100-I165 HydrophobicContact CD2-CG2 4.32Å; L116-I165 HydrophobicContact CD2-CB 4.15Å; L116-I165 HydrophobicContact CD2-CD1 3.45Å; L116-I165 VanDerWaalsContact CD2-CD1 3.45Å; L116-I165 HydrophobicContact CD2-CG1 4.38Å; L116-I165 HydrophobicContact CD2-CG2 3.88Å; L161-I165 HydrophobicContact CD1-CG2 4.09Å; L161-I165 HydrophobicContact CG-CG2 4.39Å; L161-I165 PolarHBondContact O-N 3.16Å; L162-I165 HydrophobicContact CD2-CD1 3.62Å; L162-I165 HydrophobicContact CD2-CG1 4.36Å; L162-I165 WeakPolarHBondContact O-CG1 3.44Å; L162-I165 PolarHBondContact O-N 3.17Å; I165-W168 WeakPolarHBondContact O-CA 3.17Å; I165-W168 WeakPolarHBondContact O-CB 3.4Å; I165-W168 PolarHBondContact O-N 3.39Å; I165-L169 PolarHBondContact O-N 3.12Å; I165-I176 HydrophobicContact CB-CD1 4.2Å; I165-L207 HydrophobicContact CD1-CD1 4.05Å; I165-L207 HydrophobicContact CD1-CD2 3.78Å; I165-L207 HydrophobicContact CG1-CD2 3.66Å
166	K	98.7	Very high	98.5	Very high	86 Å²	86	33 Å²	33	37%	0.374	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-54.7	-45.2	-176.5	-175.8	-177.7	-165.9	150.1	0	113.4	L162 W168 L169 N172 F206 L207	L162-K166 PolarHBondContact O-N 3.37Å; L162-K166 VanDerWaalsContact O-N 3.08Å; K166-W168 PolarHBondContact O-N 3.11Å; K166-L169 HydrophobicContact CG-CD1 4.34Å; K166-L169 WeakPolarHBondContact O-CB 3.41Å; K166-L169 WeakPolarHBondContact O-CG 3.5Å; K166-L169 PolarHBondContact O-N 3.24Å; K166-N172 PolarHBondContact O-ND2 2.95Å; K166-F206 VanDerWaalsContact CD-O 3.27Å; K166-F206 WeakPolarHBondContact CD-O 3.4Å; K166-F206 WeakPolarHBondContact CE-O 3.39Å; K166-F206 PolarHBondContact NZ-O 2.96Å; K166-L207 HydrophobicContact CB-CD2 4.34Å
167	P	98.6	Very high	98.5	Very high	77 Å²	77	30 Å²	30	50%	0.5	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-62	-25.3	174.9	-22.9	34.9	0	0	0	113.5	P163 K164 L169	P163-P167 WeakPolarHBondContact O-CD 3.46Å; K164-P167 WeakPolarHBondContact O-CD 3.49Å; P167-L169 VanDerWaalsContact C-N 3.32Å
168	W	98.7	Very high	98.5	Very high	41 Å²	41	30.1 Å²	30.1	16%	0.155	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-82.6	-5.9	180	-64.7	99.5	0	0	0	113.7	E101 L104 N105 I165 K166 G174 N175 I176	E101-W168 HydrophobicContact CB-CZ2 4.28Å; E101-W168 VanDerWaalsContact O-CZ2 3.31Å; E101-W168 WeakPolarHBondContact O-CZ2 3.3Å; L104-W168 HydrophobicContact CB-CD2 3.79Å; L104-W168 HydrophobicContact CB-CE3 3.72Å; L104-W168 HydrophobicContact CB-CG 4.29Å; L104-W168 HydrophobicContact CB-CZ3 4.15Å; L104-W168 HydrophobicContact CD1-CB 3.92Å; L104-W168 HydrophobicContact CD1-CD2 4.03Å; L104-W168 HydrophobicContact CD1-CG 3.64Å; N105-W168 HydrophobicContact CB-CH2 3.46Å; N105-W168 VanDerWaalsContact CB-CH2 3.46Å; N105-W168 HydrophobicContact CB-CZ2 4.26Å; N105-W168 HydrophobicContact CB-CZ3 4.09Å; I165-W168 WeakPolarHBondContact O-CA 3.17Å; I165-W168 WeakPolarHBondContact O-CB 3.4Å; I165-W168 PolarHBondContact O-N 3.39Å; K166-W168 PolarHBondContact O-N 3.11Å; W168-G174 CarbonylContact O-C 3.12Å; W168-G174 VanDerWaalsContact O-C 3.29Å; W168-G174 VanDerWaalsContact O-CA 3.27Å; W168-G174 WeakPolarHBondContact O-CA 3.47Å; W168-N175 PolarHBondContact O-N 3.32Å; W168-I176 HydrophobicContact CB-CD1 3.55Å; W168-I176 HydrophobicContact CB-CG1 4.09Å; W168-I176 WeakPolarHBondContact O-CB 3.4Å; W168-I176 WeakPolarHBondContact O-CG1 3.47Å; W168-I176 PolarHBondContact O-N 3.32Å
169	L	98.9	Very high	98.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-61.7	141.8	171.8	-61.1	177.5	0	0	0	110.9	I165 K166 P167 I171 N172 G173 G174 I176 V179 L207 V211	I165-L169 PolarHBondContact O-N 3.12Å; K166-L169 HydrophobicContact CG-CD1 4.34Å; K166-L169 WeakPolarHBondContact O-CB 3.41Å; K166-L169 WeakPolarHBondContact O-CG 3.5Å; K166-L169 PolarHBondContact O-N 3.24Å; P167-L169 VanDerWaalsContact C-N 3.32Å; L169-I171 VanDerWaalsContact C-N 3.26Å; L169-I171 HydrophobicContact CB-CG2 4.25Å; L169-I171 PolarHBondContact O-N 3.12Å; L169-N172 HydrophobicContact CB-CB 4.4Å; L169-N172 CarbonylContact O-C 3.57Å; L169-N172 WeakPolarHBondContact O-CA 3.35Å; L169-N172 PolarHBondContact O-N 3.45Å; L169-G173 PolarHBondContact O-N 2.98Å; L169-G174 PolarHBondContact O-N 3.39Å; L169-I176 HydrophobicContact CD2-CB 4.26Å; L169-I176 HydrophobicContact CD2-CG2 4.04Å; L169-V179 HydrophobicContact CD2-CG2 4.24Å; L169-L207 HydrophobicContact CD1-CB 4.02Å; L169-L207 HydrophobicContact CD1-CD2 4.3Å; L169-L207 WeakPolarHBondContact CD1-O 3.06Å; L169-V211 HydrophobicContact CD1-CB 4.47Å; L169-V211 HydrophobicContact CD2-CB 4.47Å; L169-V211 HydrophobicContact CD2-CG2 3.91Å
170	Y	98.7	Very high	98.5	Very high	13 Å²	13	28 Å²	28	5%	0.051	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.5	-39.1	-176.6	-174.7	-94.1	0	0	0	112.5	R26 S27 F28 K39 D40 L113 N172 G173 I176 I177	R26-Y170 HydrophobicContact CB-CD1 4.21Å; R26-Y170 HydrophobicContact CB-CE1 3.8Å; R26-Y170 HydrophobicContact CG-CE1 4.37Å; R26-Y170 PolarHBondContact NE-O 2.92Å; S27-Y170 WeakPolarHBondContact O-CE1 3.4Å; F28-Y170 HydrophobicContact CB-CD1 4.07Å; K39-Y170 VanDerWaalsContact CE-CZ 3.48Å; K39-Y170 VanDerWaalsContact CE-OH 3.22Å; K39-Y170 WeakPolarHBondContact CE-OH 3.35Å; K39-Y170 HydrophobicContact CG-CE1 4.24Å; K39-Y170 PolarHBondContact NZ-OH 3.35Å; D40-Y170 VanDerWaalsContact OD1-CE1 3.23Å; D40-Y170 WeakPolarHBondContact OD1-CE1 3.47Å; D40-Y170 PolarHBondContact OD1-OH 2.62Å; D40-Y170 PolarHBondContact OD2-OH 3.22Å; L113-Y170 HydrophobicContact CD2-CD2 3.78Å; L113-Y170 HydrophobicContact CD2-CE2 3.83Å; Y170-N172 VanDerWaalsContact C-N 3.25Å; Y170-N172 PolarHBondContact O-N 2.78Å; Y170-G173 PolarHBondContact O-N 3.06Å; Y170-I176 VanDerWaalsContact CB-O 3.25Å; Y170-I176 WeakPolarHBondContact CB-O 3.02Å; Y170-I176 PolarHBondContact N-O 2.92Å; Y170-I177 HydrophobicContact CD2-CG2 3.91Å; Y170-I177 HydrophobicContact CG-CG2 3.96Å
171	I	97.1	Very high	98.5	Very high	69 Å²	69	26.1 Å²	26.1	35%	0.354	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-66.6	-25	176.2	-167.1	153.5	0	0	0	113.3	L169 D210	L169-I171 VanDerWaalsContact C-N 3.26Å; L169-I171 HydrophobicContact CB-CG2 4.25Å; L169-I171 PolarHBondContact O-N 3.12Å; I171-D210 HydrophobicContact CD1-CB 3.65Å
172	N	97.8	Very high	98.5	Very high	84 Å²	84	26.2 Å²	26.2	45%	0.449	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-94.5	7.5	177.9	-64.1	-28.7	0	0	0	112.9	K166 L169 Y170	K166-N172 PolarHBondContact O-ND2 2.95Å; L169-N172 HydrophobicContact CB-CB 4.4Å; L169-N172 CarbonylContact O-C 3.57Å; L169-N172 WeakPolarHBondContact O-CA 3.35Å; L169-N172 PolarHBondContact O-N 3.45Å; Y170-N172 VanDerWaalsContact C-N 3.25Å; Y170-N172 PolarHBondContact O-N 2.78Å
173	G	97.1	Very high	98.5	Very high	35 Å²	35	26.3 Å²	26.3	36%	0.361	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-5.8	178.5	0	0	0	0	0	115.2	R26 L169 Y170	R26-G173 VanDerWaalsContact NH1-C 3.32Å; R26-G173 PolarHBondContact NH1-O 3.43Å; L169-G173 PolarHBondContact O-N 2.98Å; Y170-G173 PolarHBondContact O-N 3.06Å
174	G	98.3	Very high	98.5	Very high	4 Å²	4	24.5 Å²	24.5	4%	0.041	13%	0.132	C	C	.	.	S	Bend	trans	-81.4	-158	173.8	0	0	0	0	0	113.7	R26 W168 L169	R26-G174 PolarHBondContact NH2-O 2.6Å; W168-G174 CarbonylContact O-C 3.12Å; W168-G174 VanDerWaalsContact O-C 3.29Å; W168-G174 VanDerWaalsContact O-CA 3.27Å; W168-G174 WeakPolarHBondContact O-CA 3.47Å; L169-G174 PolarHBondContact O-N 3.39Å
175	N	98.7	Very high	98.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.118	C	C	.	.	S	Bend	trans	-121.1	1.2	-175.4	62.8	-26.2	0	0	0	114.9	L104 N108 L112 L113 V114 W168 I177	L104-N175 PolarHBondContact O-ND2 2.85Å; N108-N175 WeakPolarHBondContact CA-ND2 3.41Å; N108-N175 HydrophobicContact CB-CB 4.12Å; N108-N175 PolarHBondContact N-ND2 2.89Å; N108-N175 VanDerWaalsContact N-ND2 3.14Å; L112-N175 PolarHBondContact O-ND2 2.86Å; L113-N175 CarbonylContact C-O 3.56Å; L113-N175 WeakPolarHBondContact CA-O 3.26Å; V114-N175 VanDerWaalsContact CG2-ND2 3.33Å; V114-N175 WeakPolarHBondContact CG2-ND2 3.46Å; V114-N175 PolarHBondContact N-O 3.21Å; W168-N175 PolarHBondContact O-N 3.32Å; N175-I177 PolarHBondContact O-N 2.88Å
176	I	98.9	Very high	98.6	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.3	177.6	-58.9	170.3	0	0	0	110.4	L104 V114 L116 I165 W168 L169 Y170 V179	L104-I176 HydrophobicContact CD1-CD1 4.05Å; L104-I176 HydrophobicContact CD2-CD1 4.26Å; L104-I176 HydrophobicContact CD2-CG1 4.17Å; V114-I176 HydrophobicContact CB-CG1 4.06Å; V114-I176 HydrophobicContact CG1-CG1 4.06Å; V114-I176 CarbonylContact O-C 3.58Å; V114-I176 VanDerWaalsContact O-CA 3.31Å; V114-I176 WeakPolarHBondContact O-CA 3.15Å; L116-I176 HydrophobicContact CB-CD1 4.45Å; L116-I176 HydrophobicContact CB-CG2 3.98Å; L116-I176 HydrophobicContact CD2-CD1 4.08Å; I165-I176 HydrophobicContact CB-CD1 4.2Å; W168-I176 HydrophobicContact CB-CD1 3.55Å; W168-I176 HydrophobicContact CB-CG1 4.09Å; W168-I176 WeakPolarHBondContact O-CB 3.4Å; W168-I176 WeakPolarHBondContact O-CG1 3.47Å; W168-I176 PolarHBondContact O-N 3.32Å; L169-I176 HydrophobicContact CD2-CB 4.26Å; L169-I176 HydrophobicContact CD2-CG2 4.04Å; Y170-I176 VanDerWaalsContact CB-O 3.25Å; Y170-I176 WeakPolarHBondContact CB-O 3.02Å; Y170-I176 PolarHBondContact N-O 2.92Å; I176-V179 HydrophobicContact CG2-CG2 3.71Å
177	I	98.9	Very high	98.5	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-32.4	-176.7	50	167.4	0	0	0	113.6	F28 F44 Y46 L113 V114 I115 Y170 N175	F28-I177 HydrophobicContact CB-CG2 4.48Å; F28-I177 HydrophobicContact CD1-CB 3.94Å; F28-I177 WeakPolarHBondContact CD1-O 3.35Å; F28-I177 HydrophobicContact CD2-CB 3.77Å; F28-I177 HydrophobicContact CD2-CG2 3.61Å; F28-I177 HydrophobicContact CE1-CB 4Å; F28-I177 HydrophobicContact CE2-CB 3.81Å; F28-I177 HydrophobicContact CE2-CD1 3.88Å; F28-I177 HydrophobicContact CE2-CG1 4.42Å; F28-I177 HydrophobicContact CE2-CG2 3.91Å; F28-I177 HydrophobicContact CG-CB 3.83Å; F28-I177 HydrophobicContact CG-CG2 3.98Å; F28-I177 HydrophobicContact CZ-CB 3.93Å; F28-I177 HydrophobicContact CZ-CD1 3.83Å; F28-I177 HydrophobicContact CZ-CG1 4.34Å; F44-I177 HydrophobicContact CE1-CD1 4.19Å; Y46-I177 HydrophobicContact CD1-CD1 4.32Å; L113-I177 HydrophobicContact CB-CD1 4.05Å; L113-I177 HydrophobicContact CB-CG1 4.25Å; L113-I177 HydrophobicContact CB-CG2 4.23Å; L113-I177 HydrophobicContact CD1-CD1 4.19Å; L113-I177 HydrophobicContact CD1-CG2 4.13Å; L113-I177 HydrophobicContact CD2-CG2 3.87Å; L113-I177 HydrophobicContact CG-CG2 4.29Å; V114-I177 WeakPolarHBondContact O-CG1 3.48Å; V114-I177 PolarHBondContact O-N 3.23Å; I115-I177 HydrophobicContact CG1-CD1 4.35Å; I115-I177 HydrophobicContact CG1-CG1 4.34Å; Y170-I177 HydrophobicContact CD2-CG2 3.91Å; Y170-I177 HydrophobicContact CG-CG2 3.96Å; N175-I177 PolarHBondContact O-N 2.88Å
178	T	98.9	Very high	98.5	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.012	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153	178	64.9	0	0	0	0	109.8	F28 I115 L116 V212	F28-T178 HydrophobicContact CD1-CG2 4.27Å; F28-T178 HydrophobicContact CE1-CG2 3.57Å; F28-T178 HydrophobicContact CZ-CG2 4.3Å; I115-T178 WeakPolarHBondContact CG1-OG1 3.38Å; I115-T178 WeakPolarHBondContact CG2-OG1 3.44Å; L116-T178 PolarHBondContact N-O 3.47Å; T178-V212 WeakPolarHBondContact CA-O 3.38Å; T178-V212 HydrophobicContact CG2-CB 4.02Å; T178-V212 HydrophobicContact CG2-CG1 4.02Å
179	V	98.9	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123	179.4	-176.1	0	0	0	0	109.8	L116 P118 L169 I176 F203 L207 V211 V212 L213 F214	L116-V179 HydrophobicContact CB-CG2 4.4Å; L116-V179 CarbonylContact O-C 3.54Å; L116-V179 VanDerWaalsContact O-CA 3.29Å; L116-V179 WeakPolarHBondContact O-CA 3.48Å; P118-V179 HydrophobicContact CG-CG1 3.71Å; L169-V179 HydrophobicContact CD2-CG2 4.24Å; I176-V179 HydrophobicContact CG2-CG2 3.71Å; V179-F203 HydrophobicContact CG1-CD1 3.9Å; V179-F203 HydrophobicContact CG1-CE1 3.63Å; V179-L207 HydrophobicContact CB-CD1 4.5Å; V179-L207 HydrophobicContact CG1-CD1 4.27Å; V179-L207 HydrophobicContact CG2-CD1 4.23Å; V179-V211 HydrophobicContact CB-CG2 4.41Å; V179-V211 HydrophobicContact CG2-CG2 3.81Å; V179-V212 PolarHBondContact N-O 3.14Å; V179-L213 HydrophobicContact CB-CD2 3.86Å; V179-L213 HydrophobicContact CG1-CD2 4.39Å; V179-L213 VanDerWaalsContact O-CA 3.3Å; V179-L213 WeakPolarHBondContact O-CA 3.35Å; V179-F214 VanDerWaalsContact C-CD1 3.46Å; V179-F214 VanDerWaalsContact C-CE1 3.48Å; V179-F214 WeakPolarHBondContact O-CD1 3.49Å; V179-F214 PolarHBondContact O-N 3.44Å; V179-F214 VanDerWaalsContact O-N 3.1Å
180	Q	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.8	175.4	-164.3	174.4	-69.7	0	0	110.8	L116 R117 P118 E182 N183 F203 F214 T216	L116-Q180 PolarHBondContact O-N 3.47Å; R117-Q180 HydrophobicContact CB-CB 4.19Å; R117-Q180 HydrophobicContact CG-CB 3.84Å; R117-Q180 VanDerWaalsContact NE-NE2 3.15Å; P118-Q180 WeakPolarHBondContact CD-O 3.45Å; Q180-E182 WeakPolarHBondContact CG-O 3.46Å; Q180-E182 PolarHBondContact NE2-O 2.83Å; Q180-N183 PolarHBondContact NE2-OD1 3.05Å; Q180-F203 WeakPolarHBondContact O-CE1 3.37Å; Q180-F214 CarbonylContact C-O 3.56Å; Q180-F214 VanDerWaalsContact CA-O 3.3Å; Q180-F214 WeakPolarHBondContact CA-O 3.46Å; Q180-F214 HydrophobicContact CB-CD1 4.22Å; Q180-F214 HydrophobicContact CB-CD2 4.41Å; Q180-F214 HydrophobicContact CB-CE1 3.71Å; Q180-F214 HydrophobicContact CB-CE2 3.93Å; Q180-F214 HydrophobicContact CB-CZ 3.56Å; Q180-F214 HydrophobicContact CG-CD2 4.16Å; Q180-F214 HydrophobicContact CG-CE1 4.48Å; Q180-F214 HydrophobicContact CG-CE2 3.87Å; Q180-F214 HydrophobicContact CG-CZ 4.05Å; Q180-F214 WeakPolarHBondContact CG-O 3.34Å; Q180-F214 VanDerWaalsContact N-CE1 3.25Å; Q180-F214 VanDerWaalsContact OE1-CE2 3.24Å; Q180-T216 PolarHBondContact OE1-OG1 2.79Å
181	V	98.9	Very high	98.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	13%	0.13	C	C	.	.			trans	-108.7	126.1	169.5	-179.7	0	0	0	0	108.3	L199 F203 L213 F214 L232	V181-L199 HydrophobicContact CG1-CB 3.53Å; V181-L199 HydrophobicContact CG1-CD1 3.95Å; V181-L199 HydrophobicContact CG1-CG 4.42Å; V181-F203 HydrophobicContact CG2-CB 4.47Å; V181-F203 HydrophobicContact CG2-CD1 3.83Å; V181-F203 HydrophobicContact CG2-CD2 4.47Å; V181-F203 HydrophobicContact CG2-CE1 4.06Å; V181-F203 HydrophobicContact CG2-CG 4.03Å; V181-F203 HydrophobicContact CG2-CZ 4.47Å; V181-L213 HydrophobicContact CG2-CB 4.22Å; V181-L213 HydrophobicContact CG2-CD1 4.29Å; V181-L213 HydrophobicContact CG2-CD2 4.46Å; V181-F214 PolarHBondContact N-O 3.39Å; V181-L232 HydrophobicContact CB-CD1 3.91Å; V181-L232 HydrophobicContact CB-CD2 4.41Å; V181-L232 HydrophobicContact CG1-CD1 4.06Å; V181-L232 HydrophobicContact CG2-CD1 4.25Å; V181-L232 HydrophobicContact CG2-CD2 3.86Å
182	E	98.8	Very high	98.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	12%	0.123	C	C	.	.	S	Bend	trans	61.4	-167.3	-173.6	-124.1	-78.3	158.7	0	0	112.3	G119 R144 Q180 Y185 Y195 M196 L199	G119-E182 PolarHBondContact O-N 3.45Å; G119-E182 VanDerWaalsContact O-N 3.14Å; R144-E182 IonicContact CZ-OE1 2.66Å; R144-E182 IonicContact CZ-OE2 3.91Å; R144-E182 IonicContact NE-OE1 3.93Å; R144-E182 PolarHBondContact NE-OE1 3.04Å; R144-E182 IonicContact NE-OE2 3.39Å; R144-E182 IonicContact NH2-OE1 2.78Å; R144-E182 PolarHBondContact NH2-OE1 2.97Å; R144-E182 IonicContact NH2-OE2 2.81Å; R144-E182 PolarHBondContact NH2-OE2 3.28Å; Q180-E182 WeakPolarHBondContact CG-O 3.46Å; Q180-E182 PolarHBondContact NE2-O 2.83Å; E182-Y185 HydrophobicContact CG-CD2 4.12Å; E182-Y185 HydrophobicContact CG-CG 4.37Å; E182-Y185 WeakPolarHBondContact OE2-CB 3.27Å; E182-Y195 HydrophobicContact CG-CE1 3.58Å; E182-Y195 WeakPolarHBondContact CG-OH 3.5Å; E182-Y195 PolarHBondContact OE1-OH 2.81Å; E182-Y195 VanDerWaalsContact OE1-OH 3.04Å; E182-M196 HydrophobicContact CB-CE 4.06Å; E182-M196 HydrophobicContact CB-SD 3.77Å; E182-M196 HydrophobicContact CG-SD 3.76Å; E182-L199 HydrophobicContact CB-CD1 4.01Å; E182-L199 HydrophobicContact CG-CD1 3.68Å
183	N	98.9	Very high	98.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.115	C	C	.	.	S	Bend	trans	-153.9	115	175	-167.9	77.1	0	0	0	112.2	Y79 R117 Y121 R144 Q180 Y185	Y79-N183 PolarHBondContact OH-OD1 3.2Å; R117-N183 VanDerWaalsContact CZ-OD1 3.31Å; R117-N183 PolarHBondContact NH2-OD1 3.49Å; Y121-N183 HydrophobicContact CD1-CB 4.06Å; Y121-N183 HydrophobicContact CE1-CB 4.32Å; Y121-N183 WeakPolarHBondContact O-CB 3.2Å; R144-N183 PolarHBondContact NH2-O 3.2Å; Q180-N183 PolarHBondContact NE2-OD1 3.05Å; N183-Y185 PolarHBondContact O-N 2.87Å
184	E	98.6	Very high	98.4	Very high	21 Å²	21	23.4 Å²	23.4	10%	0.098	12%	0.124	C	C	.	.	S	Bend	trans	46.6	49.6	179.5	-60.8	-175	113.5	0	0	111.8	R144 G186 S187 T216 D217	R144-E184 PolarHBondContact NH2-O 2.86Å; E184-G186 PolarHBondContact O-N 3.1Å; E184-S187 WeakPolarHBondContact O-CB 3.33Å; E184-S187 PolarHBondContact O-N 3.13Å; E184-T216 WeakPolarHBondContact CA-O 3.14Å; E184-T216 PolarHBondContact N-O 3.31Å; E184-D217 VanDerWaalsContact C-OD1 3.27Å; E184-D217 WeakPolarHBondContact CA-OD1 3.36Å
185	Y	98.8	Very high	98.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-63.7	-28.1	-176.7	-169.4	-116.1	0	0	0	111.7	R144 E182 N183 S187 Y188 D192 Y195 M196 D217 C226	R144-Y185 HydrophobicContact CB-CE2 4.05Å; R144-Y185 WeakPolarHBondContact O-CE2 3.33Å; R144-Y185 PolarHBondContact O-OH 3.04Å; E182-Y185 HydrophobicContact CG-CD2 4.12Å; E182-Y185 HydrophobicContact CG-CG 4.37Å; E182-Y185 WeakPolarHBondContact OE2-CB 3.27Å; N183-Y185 PolarHBondContact O-N 2.87Å; Y185-S187 PolarHBondContact O-N 3.17Å; Y185-Y188 AromaticContact CE2-CD1 3.99Å; Y185-Y188 HydrophobicContact CE2-CD1 3.99Å; Y185-Y188 WeakPolarHBondContact O-CB 3.34Å; Y185-Y188 PolarHBondContact O-N 3.03Å; Y185-D192 WeakPolarHBondContact OH-CA 3.49Å; Y185-D192 VanDerWaalsContact OH-CB 3.24Å; Y185-D192 WeakPolarHBondContact OH-CB 3.35Å; Y185-D192 PolarHBondContact OH-N 3.3Å; Y185-Y195 HydrophobicContact CD2-CD1 4.27Å; Y185-Y195 AromaticContact CD2-CE1 3.93Å; Y185-Y195 HydrophobicContact CD2-CE1 3.93Å; Y185-Y195 HydrophobicContact CE1-CD1 4.29Å; Y185-Y195 AromaticContact CE2-CD1 3.63Å; Y185-Y195 HydrophobicContact CE2-CD1 3.63Å; Y185-Y195 AromaticContact CE2-CE1 3.6Å; Y185-Y195 HydrophobicContact CE2-CE1 3.6Å; Y185-Y195 AromaticContact CZ-CD1 3.63Å; Y185-M196 HydrophobicContact CD1-CG 3.48Å; Y185-M196 VanDerWaalsContact CD1-CG 3.48Å; Y185-M196 HydrophobicContact CD1-SD 3.66Å; Y185-M196 HydrophobicContact CD2-SD 4.42Å; Y185-M196 HydrophobicContact CE1-CG 3.69Å; Y185-M196 HydrophobicContact CE1-SD 4.28Å; Y185-M196 HydrophobicContact CG-CG 4.19Å; Y185-M196 HydrophobicContact CG-SD 3.74Å; Y185-D217 PolarHBondContact N-OD1 2.94Å; Y185-D217 VanDerWaalsContact N-OD1 3.09Å; Y185-C226 WeakPolarHBondContact CD1-O 3.37Å
186	G	98.4	Very high	98.5	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.021	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.2	-27.9	172.9	0	0	0	0	0	115.3	E184 Y188 D217 E223	E184-G186 PolarHBondContact O-N 3.1Å; G186-Y188 VanDerWaalsContact C-N 3.28Å; G186-D217 WeakPolarHBondContact CA-OD1 3.39Å; G186-D217 PolarHBondContact N-OD1 3.37Å; G186-E223 WeakPolarHBondContact CA-O 3.28Å
187	S	97.7	Very high	98.5	Very high	30 Å²	30	28.5 Å²	28.5	21%	0.21	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-81.5	-9.9	177.6	-57.7	0	0	0	0	112.3	E184 Y185	E184-S187 WeakPolarHBondContact O-CB 3.33Å; E184-S187 PolarHBondContact O-N 3.13Å; Y185-S187 PolarHBondContact O-N 3.17Å
188	Y	98.1	Very high	98.5	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.039	15%	0.153	C	C	.	.	S	Bend	trans	-94.2	142.1	179.3	-161.8	-116.4	0	0	0	112.1	L143 R144 Y185 G186 A190 G484 I487	L143-Y188 VanDerWaalsContact O-CE1 3.28Å; L143-Y188 WeakPolarHBondContact O-CE1 3.48Å; L143-Y188 PolarHBondContact O-OH 3.08Å; R144-Y188 HydrophobicContact CB-CD1 3.88Å; R144-Y188 HydrophobicContact CB-CE1 3.7Å; Y185-Y188 AromaticContact CE2-CD1 3.99Å; Y185-Y188 HydrophobicContact CE2-CD1 3.99Å; Y185-Y188 WeakPolarHBondContact O-CB 3.34Å; Y185-Y188 PolarHBondContact O-N 3.03Å; G186-Y188 VanDerWaalsContact C-N 3.28Å; Y188-A190 VanDerWaalsContact C-N 3.28Å; Y188-A190 HydrophobicContact CD1-CB 3.7Å; Y188-A190 HydrophobicContact CE1-CB 3.75Å; Y188-A190 PolarHBondContact O-N 3.22Å; Y188-G484 WeakPolarHBondContact CE2-O 3.48Å; Y188-I487 HydrophobicContact CD2-CD1 4.49Å; Y188-I487 HydrophobicContact CE2-CD1 3.62Å; Y188-I487 HydrophobicContact CE2-CG1 3.95Å
189	F	96.7	Very high	98.5	Very high	128 Å²	128	30.8 Å²	30.8	56%	0.561	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.2	-170.4	73.1	-89.2	0	0	0	114.3	C191	F189-C191 PolarHBondContact O-N 3.13Å
190	A	97.4	Very high	98.4	Very high	30 Å²	30	34.2 Å²	34.2	25%	0.248	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-36.6	-170.4	0	0	0	0	0	112.9	Y188 D192	Y188-A190 VanDerWaalsContact C-N 3.28Å; Y188-A190 HydrophobicContact CD1-CB 3.7Å; Y188-A190 HydrophobicContact CE1-CB 3.75Å; Y188-A190 PolarHBondContact O-N 3.22Å; A190-D192 PolarHBondContact O-N 3.39Å; A190-D192 VanDerWaalsContact O-N 3.14Å
191	C	97.7	Very high	98.4	Very high	41 Å²	41	38 Å²	38	28%	0.277	19%	0.188	S	C	.	.			trans	46.8	41.4	-178.7	-165.1	0	0	0	0	112.8	F189 Y193 C226	F189-C191 PolarHBondContact O-N 3.13Å; C191-Y193 PolarHBondContact O-N 3.17Å; C191-C226 HydrophobicContact CB-CB 3.82Å; C191-C226 WeakPolarHBondContact CB-SG 3.42Å; C191-C226 VanDerWaalsContact SG-CA 3.57Å; C191-C226 WeakPolarHBondContact SG-CB 3.08Å; C191-C226 CovalentContact SG-SG 2.04Å; C191-C226 PolarHBondContact SG-SG 3.25Å
192	D	98.5	Very high	98.4	Very high	37 Å²	37	39.1 Å²	39.1	20%	0.198	19%	0.194	C	C	.	.			trans	-92.2	100.8	-172.8	-170.1	-20.1	0	0	0	111.7	A146 Y185 A190 N194 Y195 M196	A146-D192 WeakPolarHBondContact CB-OD2 3.2Å; A146-D192 PolarHBondContact N-OD2 3.23Å; Y185-D192 WeakPolarHBondContact OH-CA 3.49Å; Y185-D192 VanDerWaalsContact OH-CB 3.24Å; Y185-D192 WeakPolarHBondContact OH-CB 3.35Å; Y185-D192 PolarHBondContact OH-N 3.3Å; A190-D192 PolarHBondContact O-N 3.39Å; A190-D192 VanDerWaalsContact O-N 3.14Å; D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 3.3Å; D192-N194 WeakPolarHBondContact OD1-CA 3.38Å; D192-N194 VanDerWaalsContact OD1-CB 3.31Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 2.73Å; D192-Y195 WeakPolarHBondContact O-CB 3.43Å; D192-Y195 PolarHBondContact O-N 2.85Å; D192-Y195 PolarHBondContact OD1-N 2.94Å; D192-M196 PolarHBondContact O-N 3.17Å
193	Y	98.4	Very high	98.4	Very high	73 Å²	73	39 Å²	39	29%	0.286	19%	0.194	S	C	.	.	H	α-helix	trans	-69.8	-18.9	177.2	-66.1	-78.2	0	0	0	114.2	C191 Y195 R197 T225 L229	C191-Y193 PolarHBondContact O-N 3.17Å; Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y193-R197 WeakPolarHBondContact O-CB 3.29Å; Y193-R197 WeakPolarHBondContact O-CG 3.27Å; Y193-R197 PolarHBondContact O-N 3.16Å; Y193-T225 PolarHBondContact OH-O 3.22Å; Y193-L229 HydrophobicContact CD1-CD1 4.02Å
194	N	98.7	Very high	98.4	Very high	101 Å²	101	41.2 Å²	41.2	54%	0.54	20%	0.202	S	C	.	.	H	α-helix	trans	-70.1	-39.1	175.5	-66.4	-32.4	0	0	0	110.1	A146 D192 R197 H198	A146-N194 HydrophobicContact CB-CB 3.92Å; D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 3.3Å; D192-N194 WeakPolarHBondContact OD1-CA 3.38Å; D192-N194 VanDerWaalsContact OD1-CB 3.31Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 2.73Å; N194-R197 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact OD1-NH1 3.01Å; N194-R197 VanDerWaalsContact OD1-NH1 3.15Å; N194-H198 WeakPolarHBondContact O-CB 3.36Å; N194-H198 PolarHBondContact O-N 3.01Å
195	Y	98.8	Very high	98.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-51.4	170	166.2	-122.8	0	0	0	112.1	R144 Y150 L151 E182 Y185 D192 Y193 R197 H198 L199	R144-Y195 HydrophobicContact CB-CE1 4.08Å; R144-Y195 WeakPolarHBondContact O-CD1 3.26Å; Y150-Y195 HydrophobicContact CD1-CE2 4.4Å; Y150-Y195 HydrophobicContact CE1-CD2 4.18Å; Y150-Y195 AromaticContact CE1-CE2 3.55Å; Y150-Y195 HydrophobicContact CE1-CE2 3.55Å; Y150-Y195 AromaticContact CE1-CZ 3.92Å; Y150-Y195 PolarHBondContact OH-OH 3.23Å; L151-Y195 HydrophobicContact CD2-CD2 3.77Å; L151-Y195 HydrophobicContact CD2-CE2 4.5Å; E182-Y195 HydrophobicContact CG-CE1 3.58Å; E182-Y195 WeakPolarHBondContact CG-OH 3.5Å; E182-Y195 PolarHBondContact OE1-OH 2.81Å; E182-Y195 VanDerWaalsContact OE1-OH 3.04Å; Y185-Y195 HydrophobicContact CD2-CD1 4.27Å; Y185-Y195 AromaticContact CD2-CE1 3.93Å; Y185-Y195 HydrophobicContact CD2-CE1 3.93Å; Y185-Y195 HydrophobicContact CE1-CD1 4.29Å; Y185-Y195 AromaticContact CE2-CD1 3.63Å; Y185-Y195 HydrophobicContact CE2-CD1 3.63Å; Y185-Y195 AromaticContact CE2-CE1 3.6Å; Y185-Y195 HydrophobicContact CE2-CE1 3.6Å; Y185-Y195 AromaticContact CZ-CD1 3.63Å; D192-Y195 WeakPolarHBondContact O-CB 3.43Å; D192-Y195 PolarHBondContact O-N 2.85Å; D192-Y195 PolarHBondContact OD1-N 2.94Å; Y193-Y195 VanDerWaalsContact C-N 3.34Å; Y195-R197 VanDerWaalsContact C-N 3.31Å; Y195-R197 PolarHBondContact O-N 2.88Å; Y195-H198 WeakPolarHBondContact O-CB 3.09Å; Y195-H198 PolarHBondContact O-N 3.31Å; Y195-H198 VanDerWaalsContact O-N 3.07Å; Y195-L199 HydrophobicContact CD2-CD1 4.31Å; Y195-L199 HydrophobicContact CD2-CG 4.07Å; Y195-L199 HydrophobicContact CE1-CD1 4.07Å; Y195-L199 HydrophobicContact CE2-CD1 3.6Å; Y195-L199 HydrophobicContact CE2-CD2 3.87Å; Y195-L199 HydrophobicContact CE2-CG 3.64Å; Y195-L199 VanDerWaalsContact CZ-CD1 3.5Å; Y195-L199 PolarHBondContact O-N 3.19Å
196	M	98.8	Very high	98.4	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-39.9	179.5	-69.2	-63.4	-75.2	0	0	112.3	E182 Y185 D192 L199 R200 T215 L229 L232	E182-M196 HydrophobicContact CB-CE 4.06Å; E182-M196 HydrophobicContact CB-SD 3.77Å; E182-M196 HydrophobicContact CG-SD 3.76Å; Y185-M196 HydrophobicContact CD1-CG 3.48Å; Y185-M196 VanDerWaalsContact CD1-CG 3.48Å; Y185-M196 HydrophobicContact CD1-SD 3.66Å; Y185-M196 HydrophobicContact CD2-SD 4.42Å; Y185-M196 HydrophobicContact CE1-CG 3.69Å; Y185-M196 HydrophobicContact CE1-SD 4.28Å; Y185-M196 HydrophobicContact CG-CG 4.19Å; Y185-M196 HydrophobicContact CG-SD 3.74Å; D192-M196 PolarHBondContact O-N 3.17Å; M196-L199 PolarHBondContact O-N 3.24Å; M196-R200 PolarHBondContact O-N 2.82Å; M196-T215 HydrophobicContact CE-CG2 3.84Å; M196-L229 HydrophobicContact CB-CD2 4.01Å; M196-L232 HydrophobicContact CE-CD1 4.48Å
197	R	98.8	Very high	98.4	Very high	111 Å²	111	49.6 Å²	49.6	42%	0.419	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-37.3	174.3	-73	176.4	-162.2	119.1	3.6	112.5	Y193 N194 Y195 R200 T201 L229	Y193-R197 WeakPolarHBondContact O-CB 3.29Å; Y193-R197 WeakPolarHBondContact O-CG 3.27Å; Y193-R197 PolarHBondContact O-N 3.16Å; N194-R197 PolarHBondContact O-N 3.32Å; N194-R197 PolarHBondContact OD1-NH1 3.01Å; N194-R197 VanDerWaalsContact OD1-NH1 3.15Å; Y195-R197 VanDerWaalsContact C-N 3.31Å; Y195-R197 PolarHBondContact O-N 2.88Å; R197-R200 PolarHBondContact O-N 2.77Å; R197-T201 WeakPolarHBondContact O-CB 3.42Å; R197-T201 PolarHBondContact O-N 2.85Å; R197-T201 PolarHBondContact O-OG1 3.12Å; R197-L229 HydrophobicContact CG-CD1 3.94Å; R197-L229 HydrophobicContact CG-CD2 4.04Å
198	H	98.8	Very high	98.4	Very high	55 Å²	55	49.4 Å²	49.4	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-48.7	175.1	-175.3	78.8	0	0	0	110.9	L151 S155 N194 Y195 T201 L202	L151-H198 HydrophobicContact CD2-CB 4.35Å; S155-H198 PolarHBondContact OG-NE2 2.79Å; N194-H198 WeakPolarHBondContact O-CB 3.36Å; N194-H198 PolarHBondContact O-N 3.01Å; Y195-H198 WeakPolarHBondContact O-CB 3.09Å; Y195-H198 PolarHBondContact O-N 3.31Å; Y195-H198 VanDerWaalsContact O-N 3.07Å; H198-T201 WeakPolarHBondContact O-CB 3Å; H198-T201 PolarHBondContact O-N 3.37Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.35Å; H198-L202 PolarHBondContact O-N 3.46Å
199	L	98.9	Very high	98.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-51	175.1	-67.5	-174.9	0	0	0	111.9	P120 V154 L158 V181 E182 Y195 M196 T201 L202 F203	P120-L199 HydrophobicContact CG-CD2 4.22Å; V154-L199 HydrophobicContact CG1-CD2 3.61Å; L158-L199 HydrophobicContact CD1-CD2 3.89Å; V181-L199 HydrophobicContact CG1-CB 3.53Å; V181-L199 HydrophobicContact CG1-CD1 3.95Å; V181-L199 HydrophobicContact CG1-CG 4.42Å; E182-L199 HydrophobicContact CB-CD1 4.01Å; E182-L199 HydrophobicContact CG-CD1 3.68Å; Y195-L199 HydrophobicContact CD2-CD1 4.31Å; Y195-L199 HydrophobicContact CD2-CG 4.07Å; Y195-L199 HydrophobicContact CE1-CD1 4.07Å; Y195-L199 HydrophobicContact CE2-CD1 3.6Å; Y195-L199 HydrophobicContact CE2-CD2 3.87Å; Y195-L199 HydrophobicContact CE2-CG 3.64Å; Y195-L199 VanDerWaalsContact CZ-CD1 3.5Å; Y195-L199 PolarHBondContact O-N 3.19Å; M196-L199 PolarHBondContact O-N 3.24Å; L199-T201 PolarHBondContact O-N 3Å; L199-L202 PolarHBondContact O-N 2.79Å; L199-L202 VanDerWaalsContact O-N 3.13Å; L199-F203 WeakPolarHBondContact O-CD2 3.29Å; L199-F203 PolarHBondContact O-N 2.91Å
200	R	98.8	Very high	98.4	Very high	71 Å²	71	54.7 Å²	54.7	27%	0.268	27%	0.271	S	S	.	.	H	α-helix	trans	-52.5	-43.8	176.2	-178	-174.7	73	167.6	7.8	111.3	M196 R197 F203 R204 L229 D230 L232	M196-R200 PolarHBondContact O-N 2.82Å; R197-R200 PolarHBondContact O-N 2.77Å; R200-F203 PolarHBondContact O-N 3.11Å; R200-R204 HydrophobicContact CG-CG 4.4Å; R200-R204 WeakPolarHBondContact O-CB 3.29Å; R200-R204 VanDerWaalsContact O-CG 3.28Å; R200-R204 WeakPolarHBondContact O-CG 3.15Å; R200-R204 PolarHBondContact O-N 2.88Å; R200-L229 HydrophobicContact CB-CD2 4.12Å; R200-D230 PolarHBondContact NH1-O 3.23Å; R200-L232 HydrophobicContact CB-CD1 4.39Å; R200-L232 HydrophobicContact CB-CD2 4.23Å; R200-L232 HydrophobicContact CB-CG 4.47Å; R200-L232 HydrophobicContact CG-CD2 3.8Å; R200-L232 HydrophobicContact CG-CG 4.21Å
201	T	98.8	Very high	98.4	Very high	81 Å²	81	53.9 Å²	53.9	50%	0.497	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-46.9	179.8	-57.9	0	0	0	0	111.5	R197 H198 L199 R204 F205	R197-T201 WeakPolarHBondContact O-CB 3.42Å; R197-T201 PolarHBondContact O-N 2.85Å; R197-T201 PolarHBondContact O-OG1 3.12Å; H198-T201 WeakPolarHBondContact O-CB 3Å; H198-T201 PolarHBondContact O-N 3.37Å; L199-T201 PolarHBondContact O-N 3Å; T201-R204 PolarHBondContact O-N 2.93Å; T201-F205 VanDerWaalsContact O-CB 3.25Å; T201-F205 WeakPolarHBondContact O-CB 3.38Å; T201-F205 PolarHBondContact O-N 2.93Å
202	L	98.8	Very high	98.5	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-46	176.8	-71.4	177.9	0	0	0	111.8	L158 H198 L199 R204 F205 F206	L158-L202 HydrophobicContact CB-CD1 4.46Å; L158-L202 HydrophobicContact CD1-CB 4.43Å; L158-L202 HydrophobicContact CD1-CD1 3.84Å; H198-L202 WeakPolarHBondContact NE2-CD1 3.35Å; H198-L202 PolarHBondContact O-N 3.46Å; L199-L202 PolarHBondContact O-N 2.79Å; L199-L202 VanDerWaalsContact O-N 3.13Å; L202-R204 PolarHBondContact O-N 2.71Å; L202-F205 PolarHBondContact O-N 2.66Å; L202-F206 HydrophobicContact CD2-CE2 4.38Å; L202-F206 VanDerWaalsContact O-CD2 3.26Å; L202-F206 WeakPolarHBondContact O-CD2 3.35Å; L202-F206 PolarHBondContact O-N 3.4Å
203	F	98.9	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-45.5	179.6	-82.3	-119.6	0	0	0	111.4	P118 L158 L162 V179 Q180 V181 L199 R200 F206 L207 L213	P118-F203 HydrophobicContact CG-CE1 3.47Å; P118-F203 VanDerWaalsContact CG-CE1 3.47Å; P118-F203 HydrophobicContact CG-CZ 3.68Å; L158-F203 HydrophobicContact CD1-CD2 4.21Å; L158-F203 HydrophobicContact CD1-CE2 3.63Å; L158-F203 HydrophobicContact CD2-CE2 4.01Å; L158-F203 HydrophobicContact CD2-CZ 4.26Å; L158-F203 HydrophobicContact CG-CE2 4.47Å; L162-F203 HydrophobicContact CD1-CD2 3.94Å; L162-F203 HydrophobicContact CD1-CE2 4.32Å; L162-F203 HydrophobicContact CD1-CG 4.11Å; L162-F203 HydrophobicContact CD2-CD1 4.29Å; L162-F203 HydrophobicContact CD2-CE1 4.15Å; L162-F203 HydrophobicContact CD2-CZ 4.34Å; V179-F203 HydrophobicContact CG1-CD1 3.9Å; V179-F203 HydrophobicContact CG1-CE1 3.63Å; Q180-F203 WeakPolarHBondContact O-CE1 3.37Å; V181-F203 HydrophobicContact CG2-CB 4.47Å; V181-F203 HydrophobicContact CG2-CD1 3.83Å; V181-F203 HydrophobicContact CG2-CD2 4.47Å; V181-F203 HydrophobicContact CG2-CE1 4.06Å; V181-F203 HydrophobicContact CG2-CG 4.03Å; V181-F203 HydrophobicContact CG2-CZ 4.47Å; L199-F203 WeakPolarHBondContact O-CD2 3.29Å; L199-F203 PolarHBondContact O-N 2.91Å; R200-F203 PolarHBondContact O-N 3.11Å; F203-F206 PolarHBondContact O-N 2.95Å; F203-L207 HydrophobicContact CD1-CD1 4.02Å; F203-L207 WeakPolarHBondContact O-CB 3.11Å; F203-L207 WeakPolarHBondContact O-CG 3.42Å; F203-L207 PolarHBondContact O-N 3.41Å; F203-L213 HydrophobicContact CB-CD1 3.75Å; F203-L213 HydrophobicContact CB-CD2 4.35Å; F203-L213 HydrophobicContact CD1-CD2 4.13Å
204	R	98.7	Very high	98.5	Very high	47 Å²	47	47.9 Å²	47.9	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-43.3	174.9	-70.9	-62.3	-177.8	-159.3	0.4	112.3	R200 T201 L202 F206 G208 E209 V211 L213 G231	R200-R204 HydrophobicContact CG-CG 4.4Å; R200-R204 WeakPolarHBondContact O-CB 3.29Å; R200-R204 VanDerWaalsContact O-CG 3.28Å; R200-R204 WeakPolarHBondContact O-CG 3.15Å; R200-R204 PolarHBondContact O-N 2.88Å; T201-R204 PolarHBondContact O-N 2.93Å; L202-R204 PolarHBondContact O-N 2.71Å; R204-F206 PolarHBondContact O-N 3.38Å; R204-G208 WeakPolarHBondContact CD-O 3.47Å; R204-G208 PolarHBondContact NH1-O 2.82Å; R204-G208 VanDerWaalsContact O-CA 3.28Å; R204-G208 WeakPolarHBondContact O-CA 3.34Å; R204-G208 PolarHBondContact O-N 3.3Å; R204-E209 WeakPolarHBondContact CD-OE2 3.4Å; R204-E209 IonicContact NE-OE2 3.2Å; R204-E209 PolarHBondContact NH1-O 3.25Å; R204-V211 PolarHBondContact NH1-O 3.06Å; R204-L213 HydrophobicContact CG-CD1 4.1Å; R204-G231 PolarHBondContact NH2-O 2.77Å
205	F	98.7	Very high	98.5	Very high	154 Å²	154	43.1 Å²	43.1	68%	0.675	21%	0.208	S	C	*	.	H	α-helix	trans	-57.8	-47.7	178.3	178.1	-98.2	0	0	0	112.3	T201 L202	T201-F205 VanDerWaalsContact O-CB 3.25Å; T201-F205 WeakPolarHBondContact O-CB 3.38Å; T201-F205 PolarHBondContact O-N 2.93Å; L202-F205 PolarHBondContact O-N 2.66Å
206	F	98.8	Very high	98.5	Very high	39 Å²	39	43.2 Å²	43.2	17%	0.171	21%	0.208	C	C	.	.	H	α-helix	trans	-82.4	-42.7	-177.1	-73	-69.3	0	0	0	113.3	A159 L162 P163 K166 L202 F203 R204	A159-F206 HydrophobicContact CB-CE1 4.49Å; A159-F206 HydrophobicContact CB-CE2 4.14Å; A159-F206 HydrophobicContact CB-CZ 3.66Å; L162-F206 HydrophobicContact CB-CB 3.52Å; L162-F206 HydrophobicContact CB-CD2 4.13Å; L162-F206 HydrophobicContact CB-CG 3.9Å; L162-F206 HydrophobicContact CD1-CB 4.04Å; L162-F206 HydrophobicContact CD1-CD2 3.84Å; L162-F206 HydrophobicContact CD1-CG 4.31Å; L162-F206 HydrophobicContact CG-CB 4.46Å; P163-F206 HydrophobicContact CG-CD1 3.7Å; P163-F206 HydrophobicContact CG-CE1 3.9Å; K166-F206 VanDerWaalsContact CD-O 3.27Å; K166-F206 WeakPolarHBondContact CD-O 3.4Å; K166-F206 WeakPolarHBondContact CE-O 3.39Å; K166-F206 PolarHBondContact NZ-O 2.96Å; L202-F206 HydrophobicContact CD2-CE2 4.38Å; L202-F206 VanDerWaalsContact O-CD2 3.26Å; L202-F206 WeakPolarHBondContact O-CD2 3.35Å; L202-F206 PolarHBondContact O-N 3.4Å; F203-F206 PolarHBondContact O-N 2.95Å; R204-F206 PolarHBondContact O-N 3.38Å
207	L	98.7	Very high	98.5	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-93.3	-19.4	-170.6	-53.9	-176.7	0	0	0	114	L162 I165 K166 L169 V179 F203 V211 L213	L162-L207 HydrophobicContact CB-CD2 4.11Å; L162-L207 HydrophobicContact CD2-CD1 4.29Å; L162-L207 HydrophobicContact CD2-CD2 4.4Å; L162-L207 HydrophobicContact CD2-CG 4.48Å; L162-L207 WeakPolarHBondContact O-CD2 3.49Å; I165-L207 HydrophobicContact CD1-CD1 4.05Å; I165-L207 HydrophobicContact CD1-CD2 3.78Å; I165-L207 HydrophobicContact CG1-CD2 3.66Å; K166-L207 HydrophobicContact CB-CD2 4.34Å; L169-L207 HydrophobicContact CD1-CB 4.02Å; L169-L207 HydrophobicContact CD1-CD2 4.3Å; L169-L207 WeakPolarHBondContact CD1-O 3.06Å; V179-L207 HydrophobicContact CB-CD1 4.5Å; V179-L207 HydrophobicContact CG1-CD1 4.27Å; V179-L207 HydrophobicContact CG2-CD1 4.23Å; F203-L207 HydrophobicContact CD1-CD1 4.02Å; F203-L207 WeakPolarHBondContact O-CB 3.11Å; F203-L207 WeakPolarHBondContact O-CG 3.42Å; F203-L207 PolarHBondContact O-N 3.41Å; L207-V211 HydrophobicContact CB-CG1 3.77Å; L207-V211 HydrophobicContact CD1-CG1 4.41Å; L207-L213 HydrophobicContact CD1-CD2 4.44Å
208	G	97.9	Very high	98.3	Very high	25 Å²	25	38 Å²	38	26%	0.258	19%	0.19	S	C	.	.			trans	91.3	179.7	-176.6	0	0	0	0	0	114.2	R204	R204-G208 WeakPolarHBondContact CD-O 3.47Å; R204-G208 PolarHBondContact NH1-O 2.82Å; R204-G208 VanDerWaalsContact O-CA 3.28Å; R204-G208 WeakPolarHBondContact O-CA 3.34Å; R204-G208 PolarHBondContact O-N 3.3Å
209	E	96.9	Very high	97.9	Very high	135 Å²	135	36.7 Å²	36.7	63%	0.631	19%	0.185	S	C	*	.	S	Bend	trans	-84.1	-23.2	-175.3	-64.8	-58.2	145.7	0	0	113.4	R204	R204-E209 WeakPolarHBondContact CD-OE2 3.4Å; R204-E209 IonicContact NE-OE2 3.2Å; R204-E209 PolarHBondContact NH1-O 3.25Å
210	D	96.1	Very high	97.8	Very high	115 Å²	115	39.1 Å²	39.1	62%	0.615	20%	0.2	S	C	*	.	S	Bend	trans	-79	-21.7	-172.5	-59.1	-56.9	0	0	0	114	I171	I171-D210 HydrophobicContact CD1-CB 3.65Å
211	V	98	Very high	97.5	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.073	21%	0.206	C	C	.	.	S	Bend	trans	-68	136	178.4	63.5	0	0	0	0	110.2	L169 V179 R204 L207 L213	L169-V211 HydrophobicContact CD1-CB 4.47Å; L169-V211 HydrophobicContact CD2-CB 4.47Å; L169-V211 HydrophobicContact CD2-CG2 3.91Å; V179-V211 HydrophobicContact CB-CG2 4.41Å; V179-V211 HydrophobicContact CG2-CG2 3.81Å; R204-V211 PolarHBondContact NH1-O 3.06Å; L207-V211 HydrophobicContact CB-CG1 3.77Å; L207-V211 HydrophobicContact CD1-CG1 4.41Å; V211-L213 HydrophobicContact CG1-CD2 3.72Å; V211-L213 HydrophobicContact CG1-CG 4.09Å; V211-L213 HydrophobicContact CG2-CD2 4.32Å; V211-L213 PolarHBondContact O-N 3.46Å; V211-L213 VanDerWaalsContact O-N 3.17Å
212	V	98.8	Very high	97.4	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	106.1	172.1	177.4	0	0	0	0	108.4	F28 I30 F37 T178 V179	F28-V212 HydrophobicContact CD1-CG2 3.94Å; F28-V212 HydrophobicContact CE1-CG2 4.35Å; I30-V212 HydrophobicContact CD1-CG1 3.82Å; I30-V212 HydrophobicContact CG1-CG1 4.19Å; I30-V212 HydrophobicContact CG1-CG2 4.42Å; F37-V212 HydrophobicContact CE1-CG1 4.39Å; T178-V212 WeakPolarHBondContact CA-O 3.38Å; T178-V212 HydrophobicContact CG2-CB 4.02Å; T178-V212 HydrophobicContact CG2-CG1 4.02Å; V179-V212 PolarHBondContact N-O 3.14Å
213	L	98.9	Very high	97.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.8	170.4	-56.9	-175.9	0	0	0	109.8	V179 V181 F203 R204 L207 V211 L232 Y233	V179-L213 HydrophobicContact CB-CD2 3.86Å; V179-L213 HydrophobicContact CG1-CD2 4.39Å; V179-L213 VanDerWaalsContact O-CA 3.3Å; V179-L213 WeakPolarHBondContact O-CA 3.35Å; V181-L213 HydrophobicContact CG2-CB 4.22Å; V181-L213 HydrophobicContact CG2-CD1 4.29Å; V181-L213 HydrophobicContact CG2-CD2 4.46Å; F203-L213 HydrophobicContact CB-CD1 3.75Å; F203-L213 HydrophobicContact CB-CD2 4.35Å; F203-L213 HydrophobicContact CD1-CD2 4.13Å; R204-L213 HydrophobicContact CG-CD1 4.1Å; L207-L213 HydrophobicContact CD1-CD2 4.44Å; V211-L213 HydrophobicContact CG1-CD2 3.72Å; V211-L213 HydrophobicContact CG1-CG 4.09Å; V211-L213 HydrophobicContact CG2-CD2 4.32Å; V211-L213 PolarHBondContact O-N 3.46Å; V211-L213 VanDerWaalsContact O-N 3.17Å; L213-L232 HydrophobicContact CB-CD2 3.44Å; L213-L232 VanDerWaalsContact CB-CD2 3.44Å; L213-L232 HydrophobicContact CD1-CD2 3.94Å; L213-L232 HydrophobicContact CG-CD2 4.35Å; L213-Y233 PolarHBondContact O-N 3.33Å
214	F	98.9	Very high	97.2	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.4	-177.5	77.7	-82.9	0	0	0	112.4	I115 V179 Q180 V181 T216 Y233 T235	I115-F214 HydrophobicContact CG2-CE1 3.84Å; I115-F214 HydrophobicContact CG2-CZ 3.67Å; V179-F214 VanDerWaalsContact C-CD1 3.46Å; V179-F214 VanDerWaalsContact C-CE1 3.48Å; V179-F214 WeakPolarHBondContact O-CD1 3.49Å; V179-F214 PolarHBondContact O-N 3.44Å; V179-F214 VanDerWaalsContact O-N 3.1Å; Q180-F214 CarbonylContact C-O 3.56Å; Q180-F214 VanDerWaalsContact CA-O 3.3Å; Q180-F214 WeakPolarHBondContact CA-O 3.46Å; Q180-F214 HydrophobicContact CB-CD1 4.22Å; Q180-F214 HydrophobicContact CB-CD2 4.41Å; Q180-F214 HydrophobicContact CB-CE1 3.71Å; Q180-F214 HydrophobicContact CB-CE2 3.93Å; Q180-F214 HydrophobicContact CB-CZ 3.56Å; Q180-F214 HydrophobicContact CG-CD2 4.16Å; Q180-F214 HydrophobicContact CG-CE1 4.48Å; Q180-F214 HydrophobicContact CG-CE2 3.87Å; Q180-F214 HydrophobicContact CG-CZ 4.05Å; Q180-F214 WeakPolarHBondContact CG-O 3.34Å; Q180-F214 VanDerWaalsContact N-CE1 3.25Å; Q180-F214 VanDerWaalsContact OE1-CE2 3.24Å; V181-F214 PolarHBondContact N-O 3.39Å; F214-T216 WeakPolarHBondContact CE2-OG1 3.43Å; F214-Y233 CarbonylContact C-O 3.29Å; F214-Y233 WeakPolarHBondContact CA-O 3.13Å; F214-Y233 WeakPolarHBondContact CB-O 3.31Å; F214-T235 HydrophobicContact CB-CG2 4.3Å; F214-T235 HydrophobicContact CD2-CG2 3.7Å; F214-T235 HydrophobicContact CE2-CG2 4.44Å; F214-T235 HydrophobicContact CG-CG2 4.35Å
215	T	98.9	Very high	97.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158	168	63.1	0	0	0	0	110	M196 L232 Y233 T235	M196-T215 HydrophobicContact CE-CG2 3.84Å; T215-L232 HydrophobicContact CG2-CB 4.02Å; T215-L232 HydrophobicContact CG2-CD1 3.71Å; T215-Y233 PolarHBondContact N-O 3.06Å; T215-T235 WeakPolarHBondContact O-CB 3.21Å; T215-T235 PolarHBondContact O-N 2.94Å; T215-T235 PolarHBondContact O-OG1 3.44Å
216	T	98.9	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.8	172.8	-64.3	0	0	0	0	108.3	Q180 E184 F214 T235 D237 S263	Q180-T216 PolarHBondContact OE1-OG1 2.79Å; E184-T216 WeakPolarHBondContact CA-O 3.14Å; E184-T216 PolarHBondContact N-O 3.31Å; F214-T216 WeakPolarHBondContact CE2-OG1 3.43Å; T216-T235 WeakPolarHBondContact CA-OG1 3.44Å; T216-T235 PolarHBondContact OG1-OG1 2.95Å; T216-D237 HydrophobicContact CG2-CB 4.01Å; T216-D237 WeakPolarHBondContact CG2-OD2 3.49Å; T216-S263 WeakPolarHBondContact OG1-CB 3.5Å; T216-S263 PolarHBondContact OG1-OG 3.37Å
217	D	98.8	Very high	97.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.7	177.8	-66.2	-81.7	0	0	0	110.7	E184 Y185 G186 E223 M224 G227 T235 V236 D237	E184-D217 VanDerWaalsContact C-OD1 3.27Å; E184-D217 WeakPolarHBondContact CA-OD1 3.36Å; Y185-D217 PolarHBondContact N-OD1 2.94Å; Y185-D217 VanDerWaalsContact N-OD1 3.09Å; G186-D217 WeakPolarHBondContact CA-OD1 3.39Å; G186-D217 PolarHBondContact N-OD1 3.37Å; D217-E223 HydrophobicContact CB-CB 4.35Å; D217-M224 HydrophobicContact CB-SD 3.99Å; D217-G227 WeakPolarHBondContact OD1-CA 3.28Å; D217-G227 VanDerWaalsContact OD2-C 3.27Å; D217-G227 VanDerWaalsContact OD2-CA 3.3Å; D217-G227 WeakPolarHBondContact OD2-CA 3.35Å; D217-T235 PolarHBondContact N-O 3.37Å; D217-V236 VanDerWaalsContact O-CA 3.28Å; D217-V236 WeakPolarHBondContact O-CA 3.34Å; D217-D237 PolarHBondContact O-N 2.9Å
218	G	95.1	Very high	97.1	Very high	4 Å²	4	38 Å²	38	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	155.2	172.6	0	0	0	0	0	112.7	T220 E223 D237	G218-T220 PolarHBondContact O-N 3.2Å; G218-E223 VanDerWaalsContact C-OE2 3.22Å; G218-E223 WeakPolarHBondContact CA-OE2 3.3Å; G218-D237 PolarHBondContact N-OD2 3.03Å
219	N	90.5	Very high	97.1	Very high	26 Å²	26	37.6 Å²	37.6	14%	0.139	20%	0.197	C	C	.	.	S	Bend	trans	-81.7	44.7	-171.4	71.2	8.8	0	0	0	114	T242 A247 R250	N219-T242 WeakPolarHBondContact ND2-CG2 3.21Å; N219-A247 HydrophobicContact CB-CB 4.19Å; N219-R250 WeakPolarHBondContact O-CD 3.29Å; N219-R250 VanDerWaalsContact O-CZ 3.22Å; N219-R250 PolarHBondContact O-NE 3.47Å; N219-R250 PolarHBondContact O-NH1 3.34Å
220	T	95.1	Very high	97.1	Very high	52 Å²	52	38 Å²	38	32%	0.319	20%	0.203	S	C	.	.	S	Bend	trans	-118.6	153	171.8	73.4	0	0	0	0	112.1	G218 K222 E223 M224	G218-T220 PolarHBondContact O-N 3.2Å; T220-K222 PolarHBondContact O-N 3.07Å; T220-E223 VanDerWaalsContact CB-OE2 3.31Å; T220-E223 WeakPolarHBondContact CB-OE2 3.39Å; T220-E223 VanDerWaalsContact CG2-OE2 3.26Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T220-E223 PolarHBondContact N-OE2 3.5Å; T220-E223 PolarHBondContact O-N 3.22Å; T220-E223 WeakPolarHBondContact OG1-CG 3.49Å; T220-E223 PolarHBondContact OG1-N 3.3Å; T220-E223 PolarHBondContact OG1-OE2 3.16Å; T220-M224 WeakPolarHBondContact O-CB 3.33Å; T220-M224 VanDerWaalsContact O-CG 3.29Å; T220-M224 WeakPolarHBondContact O-CG 3.39Å; T220-M224 PolarHBondContact O-N 2.92Å
221	D	94.1	Very high	97.1	Very high	74 Å²	74	34.5 Å²	34.5	40%	0.396	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-30.7	177.3	-71.6	-19.3	0	0	0	111.2	T225 R253	D221-T225 VanDerWaalsContact O-CB 3.26Å; D221-T225 WeakPolarHBondContact O-CB 3.43Å; D221-T225 PolarHBondContact O-N 3.42Å; D221-T225 PolarHBondContact O-OG1 2.8Å; D221-R253 IonicContact OD1-NH1 3.67Å; D221-R253 PolarHBondContact OD1-NH1 3.45Å; D221-R253 IonicContact OD2-NH1 2.74Å; D221-R253 PolarHBondContact OD2-NH1 3.43Å
222	K	95.2	Very high	97.1	Very high	165 Å²	165	34 Å²	34	72%	0.717	19%	0.192	S	C	*	.	H	α-helix	trans	-66.4	-52.6	178.5	-179.8	-169.3	170.2	-164	0	111.2	T220 T225 C226	T220-K222 PolarHBondContact O-N 3.07Å; K222-T225 PolarHBondContact O-N 2.99Å; K222-C226 PolarHBondContact O-N 3.09Å
223	E	97.1	Very high	97.1	Very high	47 Å²	47	33.5 Å²	33.5	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-51.7	-178.9	-69.8	153.8	163.3	0	0	109.6	G186 D217 G218 T220 T225 C226 G227	G186-E223 WeakPolarHBondContact CA-O 3.28Å; D217-E223 HydrophobicContact CB-CB 4.35Å; G218-E223 VanDerWaalsContact C-OE2 3.22Å; G218-E223 WeakPolarHBondContact CA-OE2 3.3Å; T220-E223 VanDerWaalsContact CB-OE2 3.31Å; T220-E223 WeakPolarHBondContact CB-OE2 3.39Å; T220-E223 VanDerWaalsContact CG2-OE2 3.26Å; T220-E223 WeakPolarHBondContact CG2-OE2 3.49Å; T220-E223 PolarHBondContact N-OE2 3.5Å; T220-E223 PolarHBondContact O-N 3.22Å; T220-E223 WeakPolarHBondContact OG1-CG 3.49Å; T220-E223 PolarHBondContact OG1-N 3.3Å; T220-E223 PolarHBondContact OG1-OE2 3.16Å; E223-T225 VanDerWaalsContact C-N 3.25Å; E223-T225 PolarHBondContact O-N 3.24Å; E223-T225 VanDerWaalsContact O-N 3.17Å; E223-C226 PolarHBondContact O-N 3.06Å; E223-C226 VanDerWaalsContact O-N 3.16Å; E223-G227 PolarHBondContact O-N 2.9Å
224	M	97.8	Very high	97.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-34.9	178.5	-68.2	-67.6	-63.5	0	0	113.4	D217 T220 S228 A234 V236 F254	D217-M224 HydrophobicContact CB-SD 3.99Å; T220-M224 WeakPolarHBondContact O-CB 3.33Å; T220-M224 VanDerWaalsContact O-CG 3.29Å; T220-M224 WeakPolarHBondContact O-CG 3.39Å; T220-M224 PolarHBondContact O-N 2.92Å; M224-S228 WeakPolarHBondContact O-CB 3.29Å; M224-S228 PolarHBondContact O-N 2.92Å; M224-S228 PolarHBondContact O-OG 3.26Å; M224-A234 HydrophobicContact CE-CB 3.82Å; M224-V236 HydrophobicContact CE-CG1 4.16Å; M224-V236 HydrophobicContact SD-CG1 3.64Å; M224-F254 HydrophobicContact CB-CD1 4.16Å; M224-F254 HydrophobicContact CB-CD2 3.62Å; M224-F254 HydrophobicContact CB-CE1 3.82Å; M224-F254 HydrophobicContact CB-CE2 3.25Å; M224-F254 HydrophobicContact CB-CG 4.07Å; M224-F254 HydrophobicContact CB-CZ 3.36Å; M224-F254 HydrophobicContact CE-CB 3.69Å; M224-F254 HydrophobicContact CE-CD2 3.68Å; M224-F254 HydrophobicContact CE-CE2 4.49Å; M224-F254 HydrophobicContact CE-CG 3.7Å; M224-F254 HydrophobicContact CG-CD2 4.1Å; M224-F254 HydrophobicContact CG-CE2 3.99Å
225	T	97.6	Very high	97.1	Very high	68 Å²	68	33.2 Å²	33.2	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-52.5	176.9	-63.5	0	0	0	0	110.9	Y193 D221 K222 E223	Y193-T225 PolarHBondContact OH-O 3.22Å; D221-T225 VanDerWaalsContact O-CB 3.26Å; D221-T225 WeakPolarHBondContact O-CB 3.43Å; D221-T225 PolarHBondContact O-N 3.42Å; D221-T225 PolarHBondContact O-OG1 2.8Å; K222-T225 PolarHBondContact O-N 2.99Å; E223-T225 VanDerWaalsContact C-N 3.25Å; E223-T225 PolarHBondContact O-N 3.24Å; E223-T225 VanDerWaalsContact O-N 3.17Å
226	C	97.8	Very high	97.1	Very high	21 Å²	21	33.1 Å²	33.1	14%	0.142	19%	0.186	C	C	.	.	H	α-helix	trans	-78.3	-25	-175.8	-74.9	0	0	0	0	113.7	Y185 C191 K222 E223	Y185-C226 WeakPolarHBondContact CD1-O 3.37Å; C191-C226 HydrophobicContact CB-CB 3.82Å; C191-C226 WeakPolarHBondContact CB-SG 3.42Å; C191-C226 VanDerWaalsContact SG-CA 3.57Å; C191-C226 WeakPolarHBondContact SG-CB 3.08Å; C191-C226 CovalentContact SG-SG 2.04Å; C191-C226 PolarHBondContact SG-SG 3.25Å; K222-C226 PolarHBondContact O-N 3.09Å; E223-C226 PolarHBondContact O-N 3.06Å; E223-C226 VanDerWaalsContact O-N 3.16Å
227	G	97.9	Very high	97.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-93.8	-23.4	-176.2	0	0	0	0	0	115.8	D217 E223	D217-G227 WeakPolarHBondContact OD1-CA 3.28Å; D217-G227 VanDerWaalsContact OD2-C 3.27Å; D217-G227 VanDerWaalsContact OD2-CA 3.3Å; D217-G227 WeakPolarHBondContact OD2-CA 3.35Å; E223-G227 PolarHBondContact O-N 2.9Å
228	S	97.8	Very high	97	Very high	25 Å²	25	33.6 Å²	33.6	18%	0.175	19%	0.189	C	C	.	.			trans	-81.2	148	176.3	65.3	0	0	0	0	112.8	M224 F254	M224-S228 WeakPolarHBondContact O-CB 3.29Å; M224-S228 PolarHBondContact O-N 2.92Å; M224-S228 PolarHBondContact O-OG 3.26Å; S228-F254 WeakPolarHBondContact OG-CD1 2.9Å
229	L	98.4	Very high	97.2	Very high	16 Å²	16	34 Å²	34	8%	0.084	19%	0.193	C	C	.	.			trans	-146.2	133.8	175.2	-177.7	75.7	0	0	0	109.8	Y193 M196 R197 R200 G231 L232	Y193-L229 HydrophobicContact CD1-CD1 4.02Å; M196-L229 HydrophobicContact CB-CD2 4.01Å; R197-L229 HydrophobicContact CG-CD1 3.94Å; R197-L229 HydrophobicContact CG-CD2 4.04Å; R200-L229 HydrophobicContact CB-CD2 4.12Å; L229-G231 PolarHBondContact O-N 3.39Å; L229-L232 HydrophobicContact CB-CD1 4.1Å; L229-L232 HydrophobicContact CB-CG 4.46Å; L229-L232 HydrophobicContact CD2-CD1 4.04Å; L229-L232 HydrophobicContact CD2-CG 4.45Å; L229-L232 WeakPolarHBondContact O-CB 3.39Å; L229-L232 PolarHBondContact O-N 3.03Å; L229-L232 VanDerWaalsContact O-O 3.08Å
230	D	96.8	Very high	97.5	Very high	142 Å²	142	33.3 Å²	33.3	76%	0.759	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	139.8	174.3	-176.6	35.8	0	0	0	112.2	R200 L232	R200-D230 PolarHBondContact NH1-O 3.23Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 3.26Å
231	G	95.9	Very high	97.5	Very high	42 Å²	42	37.5 Å²	37.5	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-0.8	-173.3	0	0	0	0	0	116	R204 L229	R204-G231 PolarHBondContact NH2-O 2.77Å; L229-G231 PolarHBondContact O-N 3.39Å
232	L	98.7	Very high	97.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	20%	0.203	C	C	.	.	S	Bend	trans	-117.3	125.1	165.5	-54.8	-178.9	0	0	0	108.3	V181 M196 R200 L213 T215 L229 D230 A234	V181-L232 HydrophobicContact CB-CD1 3.91Å; V181-L232 HydrophobicContact CB-CD2 4.41Å; V181-L232 HydrophobicContact CG1-CD1 4.06Å; V181-L232 HydrophobicContact CG2-CD1 4.25Å; V181-L232 HydrophobicContact CG2-CD2 3.86Å; M196-L232 HydrophobicContact CE-CD1 4.48Å; R200-L232 HydrophobicContact CB-CD1 4.39Å; R200-L232 HydrophobicContact CB-CD2 4.23Å; R200-L232 HydrophobicContact CB-CG 4.47Å; R200-L232 HydrophobicContact CG-CD2 3.8Å; R200-L232 HydrophobicContact CG-CG 4.21Å; L213-L232 HydrophobicContact CB-CD2 3.44Å; L213-L232 VanDerWaalsContact CB-CD2 3.44Å; L213-L232 HydrophobicContact CD1-CD2 3.94Å; L213-L232 HydrophobicContact CG-CD2 4.35Å; T215-L232 HydrophobicContact CG2-CB 4.02Å; T215-L232 HydrophobicContact CG2-CD1 3.71Å; L229-L232 HydrophobicContact CB-CD1 4.1Å; L229-L232 HydrophobicContact CB-CG 4.46Å; L229-L232 HydrophobicContact CD2-CD1 4.04Å; L229-L232 HydrophobicContact CD2-CG 4.45Å; L229-L232 WeakPolarHBondContact O-CB 3.39Å; L229-L232 PolarHBondContact O-N 3.03Å; L229-L232 VanDerWaalsContact O-O 3.08Å; D230-L232 VanDerWaalsContact C-N 3.25Å; D230-L232 PolarHBondContact O-N 3.26Å; L232-A234 PolarHBondContact O-N 3.19Å
233	Y	98.9	Very high	97.6	Very high	5 Å²	5	32.8 Å²	32.8	2%	0.02	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.6	-178.5	-166.9	-111.1	0	0	0	111.3	I30 Y32 L213 F214 T215 T235 E255 Q257 G258 P259 V261	I30-Y233 HydrophobicContact CD1-CD1 3.95Å; I30-Y233 HydrophobicContact CD1-CD2 3.56Å; I30-Y233 HydrophobicContact CD1-CE1 4.47Å; I30-Y233 HydrophobicContact CD1-CE2 4.13Å; I30-Y233 HydrophobicContact CD1-CG 3.46Å; I30-Y233 VanDerWaalsContact CD1-CG 3.46Å; Y32-Y233 HydrophobicContact CE1-CD2 4.16Å; Y32-Y233 AromaticContact CE1-CE2 3.95Å; Y32-Y233 HydrophobicContact CE1-CE2 3.95Å; L213-Y233 PolarHBondContact O-N 3.33Å; F214-Y233 CarbonylContact C-O 3.29Å; F214-Y233 WeakPolarHBondContact CA-O 3.13Å; F214-Y233 WeakPolarHBondContact CB-O 3.31Å; T215-Y233 PolarHBondContact N-O 3.06Å; Y233-T235 HydrophobicContact CD1-CG2 4.11Å; Y233-E255 WeakPolarHBondContact CA-OE1 3.36Å; Y233-E255 HydrophobicContact CD2-CG 3.9Å; Y233-E255 WeakPolarHBondContact CD2-OE1 3.5Å; Y233-E255 WeakPolarHBondContact CD2-OE2 3.23Å; Y233-E255 HydrophobicContact CE2-CB 3.84Å; Y233-E255 HydrophobicContact CE2-CG 3.59Å; Y233-E255 WeakPolarHBondContact CE2-OE2 3.31Å; Y233-Q257 PolarHBondContact OH-O 3.41Å; Y233-G258 WeakPolarHBondContact OH-CA 3.34Å; Y233-P259 HydrophobicContact CE1-CG 3.95Å; Y233-P259 WeakPolarHBondContact CE1-O 3.4Å; Y233-P259 WeakPolarHBondContact OH-CD 3.47Å; Y233-P259 VanDerWaalsContact OH-N 3.15Å; Y233-P259 PolarHBondContact OH-O 3.21Å; Y233-V261 HydrophobicContact CE1-CG2 4.46Å
234	A	98.8	Very high	97.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124	-178.7	0	0	0	0	0	112.3	M224 L232 Q251 F254 E255	M224-A234 HydrophobicContact CE-CB 3.82Å; L232-A234 PolarHBondContact O-N 3.19Å; A234-Q251 WeakPolarHBondContact O-CG 3.17Å; A234-Q251 PolarHBondContact O-NE2 2.97Å; A234-Q251 VanDerWaalsContact O-NE2 3.08Å; A234-F254 HydrophobicContact CB-CB 4.29Å; A234-E255 HydrophobicContact CB-CG 3.83Å; A234-E255 PolarHBondContact N-OE1 3.44Å; A234-E255 WeakPolarHBondContact O-CG 3.49Å
235	T	98.9	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164.6	173.9	72.7	0	0	0	0	109.9	F214 T215 T216 D217 Y233 V261 S263	F214-T235 HydrophobicContact CB-CG2 4.3Å; F214-T235 HydrophobicContact CD2-CG2 3.7Å; F214-T235 HydrophobicContact CE2-CG2 4.44Å; F214-T235 HydrophobicContact CG-CG2 4.35Å; T215-T235 WeakPolarHBondContact O-CB 3.21Å; T215-T235 PolarHBondContact O-N 2.94Å; T215-T235 PolarHBondContact O-OG1 3.44Å; T216-T235 WeakPolarHBondContact CA-OG1 3.44Å; T216-T235 PolarHBondContact OG1-OG1 2.95Å; D217-T235 PolarHBondContact N-O 3.37Å; Y233-T235 HydrophobicContact CD1-CG2 4.11Å; T235-V261 HydrophobicContact CG2-CB 3.7Å; T235-V261 HydrophobicContact CG2-CG1 3.62Å; T235-V261 HydrophobicContact CG2-CG2 4.21Å; T235-S263 WeakPolarHBondContact CB-OG 3.5Å; T235-S263 PolarHBondContact OG1-OG 3.34Å
236	V	98.8	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	162	177.5	-68.3	0	0	0	0	110.8	D217 M224 F238 F248 Q251 V261 N262 S263	D217-V236 VanDerWaalsContact O-CA 3.28Å; D217-V236 WeakPolarHBondContact O-CA 3.34Å; M224-V236 HydrophobicContact CE-CG1 4.16Å; M224-V236 HydrophobicContact SD-CG1 3.64Å; V236-F238 HydrophobicContact CG2-CD1 4.11Å; V236-F238 HydrophobicContact CG2-CE1 3.92Å; V236-F248 HydrophobicContact CG2-CD1 4.27Å; V236-F248 HydrophobicContact CG2-CE1 4.31Å; V236-Q251 HydrophobicContact CG1-CB 3.9Å; V236-Q251 HydrophobicContact CG1-CG 4.28Å; V236-Q251 HydrophobicContact CG2-CB 4.15Å; V236-V261 WeakPolarHBondContact CG2-O 3.39Å; V236-V261 PolarHBondContact N-O 3.27Å; V236-N262 CarbonylContact O-C 3.59Å; V236-N262 VanDerWaalsContact O-CA 3.3Å; V236-N262 WeakPolarHBondContact O-CA 3.17Å; V236-N262 PolarHBondContact O-OD1 2.76Å; V236-S263 PolarHBondContact O-N 3.1Å
237	D	98.6	Very high	97.4	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.6	162.8	58.7	72.4	0	0	0	112	T216 D217 G218 N262 E264 Y266	T216-D237 HydrophobicContact CG2-CB 4.01Å; T216-D237 WeakPolarHBondContact CG2-OD2 3.49Å; D217-D237 PolarHBondContact O-N 2.9Å; G218-D237 PolarHBondContact N-OD2 3.03Å; D237-N262 WeakPolarHBondContact CA-OD1 3.29Å; D237-E264 HydrophobicContact CB-CB 3.68Å; D237-E264 HydrophobicContact CB-CG 4.31Å; D237-Y266 WeakPolarHBondContact CB-OH 3.5Å; D237-Y266 PolarHBondContact OD1-OH 2.66Å
238	F	98.6	Very high	97.4	Very high	4 Å²	4	34 Å²	34	2%	0.018	20%	0.204	C	C	.	.			trans	-175.2	152.5	171.2	54	-89.4	0	0	0	112.5	V236 T242 I244 A247 F248 N262 E264 F265 M292	V236-F238 HydrophobicContact CG2-CD1 4.11Å; V236-F238 HydrophobicContact CG2-CE1 3.92Å; F238-T242 HydrophobicContact CB-CG2 3.74Å; F238-T242 HydrophobicContact CD2-CG2 3.9Å; F238-T242 HydrophobicContact CG-CG2 3.85Å; F238-I244 HydrophobicContact CE2-CB 4.5Å; F238-I244 HydrophobicContact CE2-CG1 4.12Å; F238-I244 HydrophobicContact CE2-CG2 4.36Å; F238-I244 HydrophobicContact CZ-CG2 4.17Å; F238-A247 HydrophobicContact CD1-CB 3.45Å; F238-A247 VanDerWaalsContact CD1-CB 3.45Å; F238-A247 HydrophobicContact CD2-CB 4.48Å; F238-A247 HydrophobicContact CE1-CB 3.47Å; F238-A247 VanDerWaalsContact CE1-CB 3.47Å; F238-A247 HydrophobicContact CG-CB 3.98Å; F238-A247 HydrophobicContact CZ-CB 4.04Å; F238-F248 HydrophobicContact CE1-CD1 4.45Å; F238-F248 HydrophobicContact CE1-CE1 4.06Å; F238-F248 HydrophobicContact CE1-CZ 4.12Å; F238-F248 HydrophobicContact CZ-CD2 4.48Å; F238-F248 HydrophobicContact CZ-CE1 4.22Å; F238-F248 AromaticContact CZ-CE2 3.96Å; F238-F248 HydrophobicContact CZ-CE2 3.96Å; F238-F248 AromaticContact CZ-CZ 3.8Å; F238-F248 HydrophobicContact CZ-CZ 3.8Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.28Å; F238-N262 HydrophobicContact CE1-CB 3.91Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.32Å; F238-N262 VanDerWaalsContact CE2-ND2 3.29Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.44Å; F238-N262 HydrophobicContact CZ-CB 4.03Å; F238-N262 VanDerWaalsContact CZ-ND2 3.32Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.44Å; F238-N262 PolarHBondContact N-OD1 3.29Å; F238-N262 PolarHBondContact O-ND2 3.05Å; F238-E264 PolarHBondContact N-O 3.05Å; F238-F265 WeakPolarHBondContact O-CA 3.46Å; F238-M292 HydrophobicContact CE2-SD 3.8Å; F238-M292 HydrophobicContact CZ-SD 3.78Å
239	G	97.9	Very high	97.4	Very high	13 Å²	13	39.8 Å²	39.8	13%	0.134	23%	0.226	C	C	.	.			trans	-95.8	-169.7	177	0	0	0	0	0	114.9	D241 T242 Y266	G239-D241 VanDerWaalsContact C-N 3.28Å; G239-D241 PolarHBondContact O-N 2.77Å; G239-T242 PolarHBondContact O-N 2.77Å; G239-Y266 VanDerWaalsContact CA-CD2 3.49Å
240	T	97.2	Very high	97.3	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.3	-173.4	57	0	0	0	0	116.2	F265 V280 K284 V285 V288	T240-F265 HydrophobicContact CG2-CE2 3.64Å; T240-F265 HydrophobicContact CG2-CZ 3.82Å; T240-V280 HydrophobicContact CG2-CG1 3.99Å; T240-K284 HydrophobicContact CG2-CD 4.35Å; T240-K284 HydrophobicContact CG2-CG 4.26Å; T240-K284 WeakPolarHBondContact O-CE 3.41Å; T240-K284 VanDerWaalsContact OG1-CD 3.31Å; T240-K284 WeakPolarHBondContact OG1-CD 3.44Å; T240-K284 WeakPolarHBondContact OG1-CE 3.29Å; T240-K284 PolarHBondContact OG1-NZ 3.5Å; T240-V285 HydrophobicContact CG2-CG2 4.05Å; T240-V288 HydrophobicContact CG2-CG2 4.46Å
241	D	95.2	Very high	97.4	Very high	139 Å²	139	35.8 Å²	35.8	74%	0.743	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.4	178.2	-72.1	-57.4	0	0	0	113.8	G239 K284	G239-D241 VanDerWaalsContact C-N 3.28Å; G239-D241 PolarHBondContact O-N 2.77Å; D241-K284 WeakPolarHBondContact OD1-CE 3.39Å; D241-K284 IonicContact OD1-NZ 2.75Å; D241-K284 PolarHBondContact OD1-NZ 3.33Å; D241-K284 IonicContact OD2-NZ 2.99Å; D241-K284 PolarHBondContact OD2-NZ 2.84Å
242	T	94.8	Very high	97.5	Very high	41 Å²	41	36.7 Å²	36.7	25%	0.252	19%	0.189	S	C	.	.	S	Bend	trans	-87.6	141.2	-178.4	-70.9	0	0	0	0	111.6	N219 F238 G239 I244 A247	N219-T242 WeakPolarHBondContact ND2-CG2 3.21Å; F238-T242 HydrophobicContact CB-CG2 3.74Å; F238-T242 HydrophobicContact CD2-CG2 3.9Å; F238-T242 HydrophobicContact CG-CG2 3.85Å; G239-T242 PolarHBondContact O-N 2.77Å; T242-I244 PolarHBondContact O-N 3.2Å; T242-A247 HydrophobicContact CG2-CB 3.8Å
243	N	96.1	Very high	97.5	Very high	100 Å²	100	43.7 Å²	43.7	54%	0.535	22%	0.215	S	C	.	.			trans	-71.7	108.9	166.3	-174.5	-50.1	0	0	0	110.4	T245 V246 A247	N243-T245 VanDerWaalsContact C-N 3.35Å; N243-T245 PolarHBondContact O-N 3.26Å; N243-T245 WeakPolarHBondContact OD1-CB 3.31Å; N243-T245 PolarHBondContact OD1-N 2.85Å; N243-V246 HydrophobicContact CB-CB 4.14Å; N243-V246 HydrophobicContact CB-CG2 3.98Å; N243-V246 WeakPolarHBondContact O-CB 3.4Å; N243-V246 PolarHBondContact O-N 3.13Å; N243-V246 PolarHBondContact OD1-N 2.96Å; N243-A247 PolarHBondContact O-N 3.33Å
244	I	96.9	Very high	97.4	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-44.6	-173.8	-55	176.2	0	0	0	112.1	F238 T242 V246 A247 F248 V288 E291 M292 M295	F238-I244 HydrophobicContact CE2-CB 4.5Å; F238-I244 HydrophobicContact CE2-CG1 4.12Å; F238-I244 HydrophobicContact CE2-CG2 4.36Å; F238-I244 HydrophobicContact CZ-CG2 4.17Å; T242-I244 PolarHBondContact O-N 3.2Å; I244-V246 VanDerWaalsContact C-N 3.27Å; I244-V246 PolarHBondContact O-N 3.08Å; I244-A247 PolarHBondContact O-N 3.49Å; I244-F248 HydrophobicContact CG2-CD2 3.5Å; I244-F248 HydrophobicContact CG2-CE2 3.49Å; I244-F248 VanDerWaalsContact CG2-CE2 3.49Å; I244-F248 PolarHBondContact O-N 3.48Å; I244-V288 HydrophobicContact CD1-CB 4.41Å; I244-V288 HydrophobicContact CD1-CG1 3.75Å; I244-V288 HydrophobicContact CG1-CG1 4.2Å; I244-E291 HydrophobicContact CD1-CB 3.5Å; I244-E291 HydrophobicContact CD1-CG 4.34Å; I244-E291 WeakPolarHBondContact CD1-OE2 3.48Å; I244-M292 HydrophobicContact CD1-CG 4.1Å; I244-M292 HydrophobicContact CG2-CG 3.98Å; I244-M295 HydrophobicContact CG2-SD 3.76Å
245	T	95.9	Very high	97.4	Very high	95 Å²	95	47.6 Å²	47.6	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-59.8	-40	178.4	-59.8	0	0	0	0	111.3	N243 K249	N243-T245 VanDerWaalsContact C-N 3.35Å; N243-T245 PolarHBondContact O-N 3.26Å; N243-T245 WeakPolarHBondContact OD1-CB 3.31Å; N243-T245 PolarHBondContact OD1-N 2.85Å; T245-K249 WeakPolarHBondContact O-CB 3.47Å; T245-K249 PolarHBondContact O-N 2.97Å
246	V	96	Very high	97.3	Very high	58 Å²	58	51.7 Å²	51.7	35%	0.352	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-42.8	178	177.6	0	0	0	0	110.8	N243 I244 K249 R250	N243-V246 HydrophobicContact CB-CB 4.14Å; N243-V246 HydrophobicContact CB-CG2 3.98Å; N243-V246 WeakPolarHBondContact O-CB 3.4Å; N243-V246 PolarHBondContact O-N 3.13Å; N243-V246 PolarHBondContact OD1-N 2.96Å; I244-V246 VanDerWaalsContact C-N 3.27Å; I244-V246 PolarHBondContact O-N 3.08Å; V246-K249 PolarHBondContact O-N 3.35Å; V246-R250 WeakPolarHBondContact O-CG 3.02Å; V246-R250 PolarHBondContact O-N 3.33Å
247	A	97.4	Very high	97.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-50.6	178	0	0	0	0	0	112.1	N219 F238 T242 N243 I244 K249 R250 Q251	N219-A247 HydrophobicContact CB-CB 4.19Å; F238-A247 HydrophobicContact CD1-CB 3.45Å; F238-A247 VanDerWaalsContact CD1-CB 3.45Å; F238-A247 HydrophobicContact CD2-CB 4.48Å; F238-A247 HydrophobicContact CE1-CB 3.47Å; F238-A247 VanDerWaalsContact CE1-CB 3.47Å; F238-A247 HydrophobicContact CG-CB 3.98Å; F238-A247 HydrophobicContact CZ-CB 4.04Å; T242-A247 HydrophobicContact CG2-CB 3.8Å; N243-A247 PolarHBondContact O-N 3.33Å; I244-A247 PolarHBondContact O-N 3.49Å; A247-K249 PolarHBondContact O-N 3Å; A247-R250 WeakPolarHBondContact O-CB 3.18Å; A247-R250 PolarHBondContact O-N 3.45Å; A247-Q251 PolarHBondContact O-N 2.93Å; A247-Q251 VanDerWaalsContact O-N 3.11Å
248	F	98.4	Very high	97.3	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-70.9	-28.1	178.7	-74.5	-45.1	0	0	0	113.8	V236 F238 I244 R250 Q251 R252 L260 N262 M292 M295 A297	V236-F248 HydrophobicContact CG2-CD1 4.27Å; V236-F248 HydrophobicContact CG2-CE1 4.31Å; F238-F248 HydrophobicContact CE1-CD1 4.45Å; F238-F248 HydrophobicContact CE1-CE1 4.06Å; F238-F248 HydrophobicContact CE1-CZ 4.12Å; F238-F248 HydrophobicContact CZ-CD2 4.48Å; F238-F248 HydrophobicContact CZ-CE1 4.22Å; F238-F248 AromaticContact CZ-CE2 3.96Å; F238-F248 HydrophobicContact CZ-CE2 3.96Å; F238-F248 AromaticContact CZ-CZ 3.8Å; F238-F248 HydrophobicContact CZ-CZ 3.8Å; I244-F248 HydrophobicContact CG2-CD2 3.5Å; I244-F248 HydrophobicContact CG2-CE2 3.49Å; I244-F248 VanDerWaalsContact CG2-CE2 3.49Å; I244-F248 PolarHBondContact O-N 3.48Å; F248-R250 PolarHBondContact O-N 3.08Å; F248-Q251 PolarHBondContact O-N 3.14Å; F248-R252 WeakPolarHBondContact O-CB 3.36Å; F248-R252 WeakPolarHBondContact O-CG 3.35Å; F248-R252 PolarHBondContact O-N 3.15Å; F248-L260 HydrophobicContact CB-CD1 4.06Å; F248-L260 HydrophobicContact CB-CD2 3.81Å; F248-L260 HydrophobicContact CB-CG 4.49Å; F248-L260 HydrophobicContact CD1-CB 3.9Å; F248-L260 HydrophobicContact CD1-CD1 4.35Å; F248-L260 HydrophobicContact CD1-CD2 3.81Å; F248-L260 HydrophobicContact CD1-CG 4.23Å; F248-L260 HydrophobicContact CD2-CD1 4.03Å; F248-L260 HydrophobicContact CE1-CB 3.92Å; F248-L260 HydrophobicContact CG-CB 4.3Å; F248-L260 HydrophobicContact CG-CD1 3.91Å; F248-L260 HydrophobicContact CG-CD2 3.93Å; F248-L260 HydrophobicContact CG-CG 4.26Å; F248-L260 HydrophobicContact CZ-CB 4.3Å; F248-N262 HydrophobicContact CE1-CB 4.37Å; F248-N262 HydrophobicContact CZ-CB 4.18Å; F248-M292 HydrophobicContact CE2-CG 4.04Å; F248-M292 HydrophobicContact CE2-SD 4.48Å; F248-M292 HydrophobicContact CZ-CG 4.36Å; F248-M292 HydrophobicContact CZ-SD 4.29Å; F248-M295 HydrophobicContact CD2-CE 3.8Å; F248-M295 HydrophobicContact CD2-SD 4.18Å; F248-M295 HydrophobicContact CE2-SD 4.49Å; F248-A297 HydrophobicContact CE1-CB 4.27Å; F248-A297 HydrophobicContact CE2-CB 3.76Å; F248-A297 HydrophobicContact CZ-CB 3.49Å; F248-A297 VanDerWaalsContact CZ-CB 3.49Å
249	K	97.6	Very high	97.3	Very high	146 Å²	146	56 Å²	56	64%	0.635	28%	0.279	S	S	*	.	H	α-helix	trans	-61.7	-32.1	169.5	-176.1	175.8	-178.4	178.9	0	111.7	T245 V246 A247 R253	T245-K249 WeakPolarHBondContact O-CB 3.47Å; T245-K249 PolarHBondContact O-N 2.97Å; V246-K249 PolarHBondContact O-N 3.35Å; A247-K249 PolarHBondContact O-N 3Å; K249-R253 PolarHBondContact O-N 3.36Å
250	R	96.9	Very high	97.3	Very high	73 Å²	73	56.3 Å²	56.3	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-73.8	-44.9	174.8	-68.2	160.8	175.2	153.7	1.5	111.3	N219 V246 A247 F248 R252 R253 F254	N219-R250 WeakPolarHBondContact O-CD 3.29Å; N219-R250 VanDerWaalsContact O-CZ 3.22Å; N219-R250 PolarHBondContact O-NE 3.47Å; N219-R250 PolarHBondContact O-NH1 3.34Å; V246-R250 WeakPolarHBondContact O-CG 3.02Å; V246-R250 PolarHBondContact O-N 3.33Å; A247-R250 WeakPolarHBondContact O-CB 3.18Å; A247-R250 PolarHBondContact O-N 3.45Å; F248-R250 PolarHBondContact O-N 3.08Å; R250-R252 PolarHBondContact O-N 3.08Å; R250-R253 WeakPolarHBondContact O-CB 3.49Å; R250-R253 PolarHBondContact O-N 2.87Å; R250-F254 WeakPolarHBondContact O-CD2 3.48Å
251	Q	98.4	Very high	97.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-52	-45.9	170.7	-165.6	-166.3	-3.1	0	0	110.7	A234 V236 A247 F248 R253 F254 E255 P259	A234-Q251 WeakPolarHBondContact O-CG 3.17Å; A234-Q251 PolarHBondContact O-NE2 2.97Å; A234-Q251 VanDerWaalsContact O-NE2 3.08Å; V236-Q251 HydrophobicContact CG1-CB 3.9Å; V236-Q251 HydrophobicContact CG1-CG 4.28Å; V236-Q251 HydrophobicContact CG2-CB 4.15Å; A247-Q251 PolarHBondContact O-N 2.93Å; A247-Q251 VanDerWaalsContact O-N 3.11Å; F248-Q251 PolarHBondContact O-N 3.14Å; Q251-R253 PolarHBondContact O-N 3.17Å; Q251-R253 VanDerWaalsContact O-N 3.12Å; Q251-F254 PolarHBondContact O-N 3.47Å; Q251-E255 PolarHBondContact O-N 3.43Å; Q251-P259 PolarHBondContact NE2-O 2.96Å
252	R	98.1	Very high	97.6	Very high	61 Å²	61	49.2 Å²	49.2	23%	0.23	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-18.3	178.1	-75.9	-74.9	176.4	-103.8	3.1	115.7	F248 R250 E255 P256 G258 L260	F248-R252 WeakPolarHBondContact O-CB 3.36Å; F248-R252 WeakPolarHBondContact O-CG 3.35Å; F248-R252 PolarHBondContact O-N 3.15Å; R250-R252 PolarHBondContact O-N 3.08Å; R252-E255 WeakPolarHBondContact CA-O 3.3Å; R252-E255 PolarHBondContact NH1-O 2.83Å; R252-E255 CarbonylContact O-C 3.52Å; R252-P256 VanDerWaalsContact O-CA 3.28Å; R252-P256 WeakPolarHBondContact O-CA 3.43Å; R252-G258 VanDerWaalsContact CZ-O 3.26Å; R252-G258 PolarHBondContact NH1-O 3.38Å; R252-G258 PolarHBondContact NH2-O 3.13Å; R252-L260 HydrophobicContact CG-CD2 4.09Å
253	R	97.2	Very high	97.8	Very high	151 Å²	151	47.2 Å²	47.2	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-74	-34.6	173.3	-73.6	173.8	157.8	-171.7	-9.7	112.1	D221 K249 R250 Q251	D221-R253 IonicContact OD1-NH1 3.67Å; D221-R253 PolarHBondContact OD1-NH1 3.45Å; D221-R253 IonicContact OD2-NH1 2.74Å; D221-R253 PolarHBondContact OD2-NH1 3.43Å; K249-R253 PolarHBondContact O-N 3.36Å; R250-R253 WeakPolarHBondContact O-CB 3.49Å; R250-R253 PolarHBondContact O-N 2.87Å; Q251-R253 PolarHBondContact O-N 3.17Å; Q251-R253 VanDerWaalsContact O-N 3.12Å
254	F	97.4	Very high	97.9	Very high	59 Å²	59	42.9 Å²	42.9	26%	0.259	20%	0.204	S	C	.	.	H	α-helix	trans	-93.8	-30.3	-179.5	-66.2	-93.4	0	0	0	111.4	M224 S228 A234 R250 Q251	M224-F254 HydrophobicContact CB-CD1 4.16Å; M224-F254 HydrophobicContact CB-CD2 3.62Å; M224-F254 HydrophobicContact CB-CE1 3.82Å; M224-F254 HydrophobicContact CB-CE2 3.25Å; M224-F254 HydrophobicContact CB-CG 4.07Å; M224-F254 HydrophobicContact CB-CZ 3.36Å; M224-F254 HydrophobicContact CE-CB 3.69Å; M224-F254 HydrophobicContact CE-CD2 3.68Å; M224-F254 HydrophobicContact CE-CE2 4.49Å; M224-F254 HydrophobicContact CE-CG 3.7Å; M224-F254 HydrophobicContact CG-CD2 4.1Å; M224-F254 HydrophobicContact CG-CE2 3.99Å; S228-F254 WeakPolarHBondContact OG-CD1 2.9Å; A234-F254 HydrophobicContact CB-CB 4.29Å; R250-F254 WeakPolarHBondContact O-CD2 3.48Å; Q251-F254 PolarHBondContact O-N 3.47Å
255	E	98.1	Very high	98	Very high	29 Å²	29	42.6 Å²	42.6	14%	0.136	20%	0.202	C	C	.	.			trans	-126.5	80.1	174.7	-66.7	-65.9	175.3	0	0	110.7	Y233 A234 Q251 R252 Q257	Y233-E255 WeakPolarHBondContact CA-OE1 3.36Å; Y233-E255 HydrophobicContact CD2-CG 3.9Å; Y233-E255 WeakPolarHBondContact CD2-OE1 3.5Å; Y233-E255 WeakPolarHBondContact CD2-OE2 3.23Å; Y233-E255 HydrophobicContact CE2-CB 3.84Å; Y233-E255 HydrophobicContact CE2-CG 3.59Å; Y233-E255 WeakPolarHBondContact CE2-OE2 3.31Å; A234-E255 HydrophobicContact CB-CG 3.83Å; A234-E255 PolarHBondContact N-OE1 3.44Å; A234-E255 WeakPolarHBondContact O-CG 3.49Å; Q251-E255 PolarHBondContact O-N 3.43Å; R252-E255 WeakPolarHBondContact CA-O 3.3Å; R252-E255 PolarHBondContact NH1-O 2.83Å; R252-E255 CarbonylContact O-C 3.52Å; E255-Q257 PolarHBondContact O-N 3.02Å
256	P	98.1	Very high	98.1	Very high	86 Å²	86	39.5 Å²	39.5	56%	0.558	18%	0.18	S	C	*	.	S	Bend	trans	-57.1	-24.5	179.6	-25.8	35.1	0	0	0	113.6	R252	R252-P256 VanDerWaalsContact O-CA 3.28Å; R252-P256 WeakPolarHBondContact O-CA 3.43Å
257	Q	98.1	Very high	98.3	Very high	102 Å²	102	36.7 Å²	36.7	48%	0.477	16%	0.163	S	C	.	.	S	Bend	trans	-127.5	167.2	-179.7	-73	-176.6	34.4	0	0	111.6	Y32 Y233 E255	Y32-Q257 HydrophobicContact CD1-CB 3.9Å; Y32-Q257 HydrophobicContact CG-CB 4.42Å; Y32-Q257 WeakPolarHBondContact O-CB 3.46Å; Y32-Q257 PolarHBondContact O-OE1 2.82Å; Y233-Q257 PolarHBondContact OH-O 3.41Å; E255-Q257 PolarHBondContact O-N 3.02Å
258	G	98.5	Very high	98.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	87.6	-179.4	-177	0	0	0	0	0	114.6	Y32 H35 Y233 R252	Y32-G258 PolarHBondContact O-N 3.3Å; H35-G258 WeakPolarHBondContact CA-O 3.25Å; H35-G258 WeakPolarHBondContact CB-O 3.42Å; H35-G258 PolarHBondContact ND1-N 2.61Å; H35-G258 PolarHBondContact ND1-O 3.19Å; Y233-G258 WeakPolarHBondContact OH-CA 3.34Å; R252-G258 VanDerWaalsContact CZ-O 3.26Å; R252-G258 PolarHBondContact NH1-O 3.38Å; R252-G258 PolarHBondContact NH2-O 3.13Å
259	P	98.8	Very high	98.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.013	18%	0.184	C	C	.	.			trans	-69.6	142.1	-171.4	26.6	-34	0	0	0	114	H35 F37 Y233 Q251 V261	H35-P259 WeakPolarHBondContact O-CA 3.09Å; F37-P259 HydrophobicContact CD1-CG 4.03Å; F37-P259 HydrophobicContact CD2-CB 3.94Å; F37-P259 HydrophobicContact CD2-CG 3.79Å; F37-P259 HydrophobicContact CE1-CG 3.68Å; F37-P259 HydrophobicContact CE2-CB 3.71Å; F37-P259 HydrophobicContact CE2-CG 3.39Å; F37-P259 HydrophobicContact CG-CG 4.09Å; F37-P259 HydrophobicContact CZ-CB 4.18Å; F37-P259 HydrophobicContact CZ-CG 3.34Å; Y233-P259 HydrophobicContact CE1-CG 3.95Å; Y233-P259 WeakPolarHBondContact CE1-O 3.4Å; Y233-P259 WeakPolarHBondContact OH-CD 3.47Å; Y233-P259 VanDerWaalsContact OH-N 3.15Å; Y233-P259 PolarHBondContact OH-O 3.21Å; Q251-P259 PolarHBondContact NE2-O 2.96Å; P259-V261 HydrophobicContact CB-CG2 4.28Å; P259-V261 HydrophobicContact CG-CG2 4.3Å
260	L	98.9	Very high	98.3	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.105	16%	0.157	C	C	.	.			trans	-69.9	133.8	163.2	-66.8	179.8	0	0	0	109	F248 R252 M295 A297 S298	F248-L260 HydrophobicContact CB-CD1 4.06Å; F248-L260 HydrophobicContact CB-CD2 3.81Å; F248-L260 HydrophobicContact CB-CG 4.49Å; F248-L260 HydrophobicContact CD1-CB 3.9Å; F248-L260 HydrophobicContact CD1-CD1 4.35Å; F248-L260 HydrophobicContact CD1-CD2 3.81Å; F248-L260 HydrophobicContact CD1-CG 4.23Å; F248-L260 HydrophobicContact CD2-CD1 4.03Å; F248-L260 HydrophobicContact CE1-CB 3.92Å; F248-L260 HydrophobicContact CG-CB 4.3Å; F248-L260 HydrophobicContact CG-CD1 3.91Å; F248-L260 HydrophobicContact CG-CD2 3.93Å; F248-L260 HydrophobicContact CG-CG 4.26Å; F248-L260 HydrophobicContact CZ-CB 4.3Å; R252-L260 HydrophobicContact CG-CD2 4.09Å; L260-M295 HydrophobicContact CD1-CE 4.09Å; L260-A297 HydrophobicContact CB-CB 3.67Å; L260-A297 CarbonylContact O-C 3.52Å; L260-A297 WeakPolarHBondContact O-CA 3.45Å; L260-S298 PolarHBondContact O-N 2.74Å
261	V	98.9	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122	-176.9	177.5	0	0	0	0	110.2	F37 Y46 Y233 T235 V236 P259 S263 S298	F37-V261 HydrophobicContact CE2-CG2 3.98Å; F37-V261 HydrophobicContact CZ-CG2 4.05Å; Y46-V261 WeakPolarHBondContact OH-CG1 3.39Å; Y233-V261 HydrophobicContact CE1-CG2 4.46Å; T235-V261 HydrophobicContact CG2-CB 3.7Å; T235-V261 HydrophobicContact CG2-CG1 3.62Å; T235-V261 HydrophobicContact CG2-CG2 4.21Å; V236-V261 WeakPolarHBondContact CG2-O 3.39Å; V236-V261 PolarHBondContact N-O 3.27Å; P259-V261 HydrophobicContact CB-CG2 4.28Å; P259-V261 HydrophobicContact CG-CG2 4.3Å; V261-S263 VanDerWaalsContact CG1-OG 3.31Å; V261-S263 WeakPolarHBondContact CG1-OG 3.4Å; V261-S298 WeakPolarHBondContact CA-O 3.32Å
262	N	98.9	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.7	160	-175.7	-11.3	0	0	0	108.7	V236 D237 F238 F248 E264 F265 M292 S298 V299 N300	V236-N262 CarbonylContact O-C 3.59Å; V236-N262 VanDerWaalsContact O-CA 3.3Å; V236-N262 WeakPolarHBondContact O-CA 3.17Å; V236-N262 PolarHBondContact O-OD1 2.76Å; D237-N262 WeakPolarHBondContact CA-OD1 3.29Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.28Å; F238-N262 HydrophobicContact CE1-CB 3.91Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.32Å; F238-N262 VanDerWaalsContact CE2-ND2 3.29Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.44Å; F238-N262 HydrophobicContact CZ-CB 4.03Å; F238-N262 VanDerWaalsContact CZ-ND2 3.32Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.44Å; F238-N262 PolarHBondContact N-OD1 3.29Å; F238-N262 PolarHBondContact O-ND2 3.05Å; F248-N262 HydrophobicContact CE1-CB 4.37Å; F248-N262 HydrophobicContact CZ-CB 4.18Å; N262-E264 PolarHBondContact OD1-N 3.06Å; N262-E264 VanDerWaalsContact OD1-N 3.11Å; N262-E264 PolarHBondContact OD1-O 3.41Å; N262-E264 VanDerWaalsContact OD1-O 3.12Å; N262-F265 PolarHBondContact OD1-N 2.97Å; N262-M292 HydrophobicContact CB-SD 3.91Å; N262-S298 PolarHBondContact N-O 3Å; N262-V299 HydrophobicContact CB-CG2 4.49Å; N262-V299 CarbonylContact O-C 3.53Å; N262-V299 WeakPolarHBondContact O-CA 3.35Å; N262-N300 PolarHBondContact O-N 2.95Å
263	S	98.9	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-17	-175.2	-66.2	0	0	0	0	113.1	Q77 T216 T235 V236 V261 N300	Q77-S263 PolarHBondContact NE2-O 3.15Å; T216-S263 WeakPolarHBondContact OG1-CB 3.5Å; T216-S263 PolarHBondContact OG1-OG 3.37Å; T235-S263 WeakPolarHBondContact CB-OG 3.5Å; T235-S263 PolarHBondContact OG1-OG 3.34Å; V236-S263 PolarHBondContact O-N 3.1Å; V261-S263 VanDerWaalsContact CG1-OG 3.31Å; V261-S263 WeakPolarHBondContact CG1-OG 3.4Å; S263-N300 WeakPolarHBondContact O-CB 3.14Å; S263-N300 PolarHBondContact O-ND2 3.21Å
264	E	98.9	Very high	98.3	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.042	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	86.4	172	-53.7	-176.2	-154.6	0	0	110.8	Y79 R117 D237 F238 N262 Y266 Y302	Y79-E264 PolarHBondContact OH-OE1 2.93Å; Y79-E264 VanDerWaalsContact OH-OE1 3.12Å; R117-E264 IonicContact CZ-OE1 3.66Å; R117-E264 VanDerWaalsContact NH1-CD 3.31Å; R117-E264 IonicContact NH1-OE1 3.19Å; R117-E264 PolarHBondContact NH1-OE1 3.24Å; R117-E264 IonicContact NH2-OE1 3.64Å; R117-E264 PolarHBondContact NH2-OE1 3.33Å; D237-E264 HydrophobicContact CB-CB 3.68Å; D237-E264 HydrophobicContact CB-CG 4.31Å; F238-E264 PolarHBondContact N-O 3.05Å; N262-E264 PolarHBondContact OD1-N 3.06Å; N262-E264 VanDerWaalsContact OD1-N 3.11Å; N262-E264 PolarHBondContact OD1-O 3.41Å; N262-E264 VanDerWaalsContact OD1-O 3.12Å; E264-Y266 HydrophobicContact CB-CD1 4.23Å; E264-Y266 HydrophobicContact CB-CE1 3.57Å; E264-Y266 PolarHBondContact O-N 3.18Å; E264-Y302 HydrophobicContact CB-CG 4.26Å; E264-Y302 HydrophobicContact CG-CD2 4.08Å; E264-Y302 HydrophobicContact CG-CG 4.31Å
265	F	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.2	168.3	172.8	-133.3	0	0	0	110	F238 T240 N262 T267 V285 V288 L289 M292 V299 N300 M301 Y302	F238-F265 WeakPolarHBondContact O-CA 3.46Å; T240-F265 HydrophobicContact CG2-CE2 3.64Å; T240-F265 HydrophobicContact CG2-CZ 3.82Å; N262-F265 PolarHBondContact OD1-N 2.97Å; F265-T267 PolarHBondContact O-N 2.65Å; F265-T267 VanDerWaalsContact O-N 3.11Å; F265-V285 HydrophobicContact CE1-CG1 3.7Å; F265-V285 HydrophobicContact CZ-CB 4.44Å; F265-V285 HydrophobicContact CZ-CG1 3.93Å; F265-V285 WeakPolarHBondContact CZ-O 3.43Å; F265-V288 HydrophobicContact CD2-CG1 4.26Å; F265-V288 HydrophobicContact CE2-CB 4Å; F265-V288 HydrophobicContact CE2-CG1 3.45Å; F265-V288 VanDerWaalsContact CE2-CG1 3.45Å; F265-V288 HydrophobicContact CZ-CB 3.88Å; F265-V288 HydrophobicContact CZ-CG1 3.79Å; F265-L289 HydrophobicContact CE1-CB 4.08Å; F265-M292 HydrophobicContact CB-CE 4.07Å; F265-M292 HydrophobicContact CD1-CE 3.72Å; F265-M292 HydrophobicContact CD2-CE 3.81Å; F265-M292 HydrophobicContact CE1-CE 4.07Å; F265-M292 HydrophobicContact CE2-CE 4.17Å; F265-M292 HydrophobicContact CG-CE 3.58Å; F265-M292 HydrophobicContact CZ-CE 4.28Å; F265-V299 HydrophobicContact CB-CG2 3.74Å; F265-V299 HydrophobicContact CD1-CG2 4.24Å; F265-V299 HydrophobicContact CG-CG2 4.29Å; F265-N300 WeakPolarHBondContact CB-O 3.27Å; F265-N300 PolarHBondContact N-O 3.45Å; F265-M301 HydrophobicContact CD1-CG 3.79Å; F265-M301 HydrophobicContact CE1-CG 4.46Å; F265-Y302 PolarHBondContact O-N 3.24Å
266	Y	98.8	Very high	98.1	Very high	29 Å²	29	31.4 Å²	31.4	11%	0.114	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	106.6	-174	-49.4	-54.8	0	0	0	112.6	D237 G239 E264 G268 W269 Y302	D237-Y266 WeakPolarHBondContact CB-OH 3.5Å; D237-Y266 PolarHBondContact OD1-OH 2.66Å; G239-Y266 VanDerWaalsContact CA-CD2 3.49Å; E264-Y266 HydrophobicContact CB-CD1 4.23Å; E264-Y266 HydrophobicContact CB-CE1 3.57Å; E264-Y266 PolarHBondContact O-N 3.18Å; Y266-G268 VanDerWaalsContact C-N 3.33Å; Y266-W269 AromaticContact CD1-CZ3 3.93Å; Y266-W269 HydrophobicContact CD1-CZ3 3.93Å; Y266-W269 HydrophobicContact CD2-CH2 4.49Å; Y266-W269 AromaticContact CD2-CZ3 3.65Å; Y266-W269 HydrophobicContact CD2-CZ3 3.65Å; Y266-W269 HydrophobicContact CE1-CZ3 4.24Å; Y266-W269 HydrophobicContact CE2-CH2 4.49Å; Y266-W269 HydrophobicContact CE2-CZ3 4.03Å; Y266-W269 HydrophobicContact CG-CE3 4.19Å; Y266-W269 AromaticContact CG-CZ3 3.64Å; Y266-W269 HydrophobicContact CG-CZ3 3.64Å; Y266-Y302 CarbonylContact C-O 3.56Å; Y266-Y302 VanDerWaalsContact CA-O 3.22Å; Y266-Y302 WeakPolarHBondContact CA-O 3.16Å; Y266-Y302 HydrophobicContact CD1-CD1 4.3Å
267	T	98.8	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-80.7	-16.3	179.7	58.7	0	0	0	0	113.5	F265 V285 M301 Y302 M303 P334 K344	F265-T267 PolarHBondContact O-N 2.65Å; F265-T267 VanDerWaalsContact O-N 3.11Å; T267-V285 HydrophobicContact CG2-CG1 4.33Å; T267-M301 HydrophobicContact CG2-CB 3.65Å; T267-M301 HydrophobicContact CG2-CG 3.96Å; T267-Y302 PolarHBondContact N-O 3.2Å; T267-Y302 PolarHBondContact OG1-O 2.76Å; T267-M303 WeakPolarHBondContact CG2-O 3.29Å; T267-M303 PolarHBondContact OG1-N 3.48Å; T267-M303 PolarHBondContact OG1-O 3.32Å; T267-P334 HydrophobicContact CG2-CG 4.19Å; T267-K344 PolarHBondContact O-NZ 2.89Å
268	G	98.4	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.126	C	C	.	.	S	Bend	trans	-167.7	-149	-178.1	0	0	0	0	0	108.6	Y266 Y331	Y266-G268 VanDerWaalsContact C-N 3.33Å; G268-Y331 CarbonylContact C-O 3.59Å; G268-Y331 WeakPolarHBondContact CA-O 3.5Å; G268-Y331 VanDerWaalsContact O-CE1 3.29Å; G268-Y331 WeakPolarHBondContact O-CE1 3.49Å; G268-Y331 PolarHBondContact O-OH 2.78Å
269	W	98.5	Very high	97.9	Very high	119 Å²	119	30.9 Å²	30.9	45%	0.451	16%	0.156	S	C	.	.			trans	-156.9	167.8	-179.6	-156.2	-107.4	0	0	0	112.6	Y266 A278 Y331	Y266-W269 AromaticContact CD1-CZ3 3.93Å; Y266-W269 HydrophobicContact CD1-CZ3 3.93Å; Y266-W269 HydrophobicContact CD2-CH2 4.49Å; Y266-W269 AromaticContact CD2-CZ3 3.65Å; Y266-W269 HydrophobicContact CD2-CZ3 3.65Å; Y266-W269 HydrophobicContact CE1-CZ3 4.24Å; Y266-W269 HydrophobicContact CE2-CH2 4.49Å; Y266-W269 HydrophobicContact CE2-CZ3 4.03Å; Y266-W269 HydrophobicContact CG-CE3 4.19Å; Y266-W269 AromaticContact CG-CZ3 3.64Å; Y266-W269 HydrophobicContact CG-CZ3 3.64Å; W269-A278 HydrophobicContact CB-CB 3.72Å; W269-Y331 VanDerWaalsContact C-CE2 3.47Å; W269-Y331 PolarHBondContact N-O 2.89Å; W269-Y331 WeakPolarHBondContact O-CA 3.41Å
270	L	97.6	Very high	97.9	Very high	12 Å²	12	32 Å²	32	6%	0.063	16%	0.163	C	C	.	.			trans	-75.9	158.9	177.1	70	119.7	0	0	0	113.4	E125 H272 V325 Y329	E125-L270 HydrophobicContact CG-CB 3.69Å; E125-L270 HydrophobicContact CG-CD1 3.81Å; E125-L270 HydrophobicContact CG-CD2 3.75Å; E125-L270 HydrophobicContact CG-CG 3.93Å; L270-H272 WeakPolarHBondContact CD1-CE1 3.34Å; L270-H272 WeakPolarHBondContact CD1-NE2 3.46Å; L270-V325 HydrophobicContact CD1-CG2 4.14Å; L270-Y329 HydrophobicContact CB-CE2 4.45Å
271	D	98.2	Very high	97.8	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.08	18%	0.179	C	C	.	.			trans	-117.9	145.4	177.4	-81.6	-12.8	0	0	0	112.3	H277 A278 V325 V326 P586	D271-H277 WeakPolarHBondContact OD1-CA 3.42Å; D271-H277 IonicContact OD1-ND1 2.77Å; D271-H277 IonicContact OD2-CE1 3.2Å; D271-H277 IonicContact OD2-CG 3.46Å; D271-H277 IonicContact OD2-ND1 2.76Å; D271-H277 PolarHBondContact OD2-ND1 3.28Å; D271-A278 PolarHBondContact OD1-N 3Å; D271-V325 WeakPolarHBondContact O-CA 3.06Å; D271-V326 HydrophobicContact CB-CG1 4.17Å; D271-V326 HydrophobicContact CB-CG2 3.61Å; D271-V326 PolarHBondContact O-N 3.03Å; D271-V326 VanDerWaalsContact O-N 3.09Å; D271-P586 HydrophobicContact CB-CG 4.44Å
272	H	98.3	Very high	97.8	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.037	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-115	154.2	168.4	-56.1	99.1	0	0	0	111.9	L270 G274 D275 D317 R323 S324 V326 P586	L270-H272 WeakPolarHBondContact CD1-CE1 3.34Å; L270-H272 WeakPolarHBondContact CD1-NE2 3.46Å; H272-G274 PolarHBondContact O-N 2.81Å; H272-G274 VanDerWaalsContact O-N 3.15Å; H272-D275 HydrophobicContact CB-CB 4.37Å; H272-D275 WeakPolarHBondContact CB-OD2 3.49Å; H272-D275 IonicContact CG-OD2 2.71Å; H272-D275 IonicContact ND1-OD2 3.55Å; H272-D275 PolarHBondContact ND1-OD2 2.91Å; H272-D275 PolarHBondContact O-N 3.13Å; H272-D275 VanDerWaalsContact O-N 3.11Å; H272-D317 IonicContact CE1-OD2 3.72Å; H272-D317 PolarHBondContact CE1-OD2 3.21Å; H272-D317 IonicContact NE2-OD2 2.74Å; H272-D317 PolarHBondContact NE2-OD2 3.07Å; H272-R323 HydrophobicContact CB-CB 4.14Å; H272-R323 PolarHBondContact CD2-O 2.98Å; H272-R323 PolarHBondContact ND1-NH1 2.86Å; H272-S324 VanDerWaalsContact CA-O 3.32Å; H272-S324 WeakPolarHBondContact CA-O 3.37Å; H272-V326 VanDerWaalsContact C-CG1 3.42Å; H272-P586 WeakPolarHBondContact O-CD 3.31Å
273	W	98.1	Very high	97.7	Very high	19 Å²	19	41 Å²	41	7%	0.072	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	118.5	172	-70.3	111.9	0	0	0	111.3	S324 V326 W581 G585 Q587	W273-S324 PolarHBondContact N-O 2.67Å; W273-S324 VanDerWaalsContact N-O 3.07Å; W273-V326 HydrophobicContact CD2-CB 4.26Å; W273-V326 HydrophobicContact CD2-CG1 3.68Å; W273-V326 HydrophobicContact CE3-CG1 3.97Å; W273-V326 HydrophobicContact CG-CG1 3.95Å; W273-V326 HydrophobicContact CH2-CB 4.39Å; W273-V326 HydrophobicContact CZ2-CB 4.02Å; W273-V326 HydrophobicContact CZ2-CG1 4.33Å; W273-V326 HydrophobicContact CZ3-CG1 4.39Å; W273-W581 HydrophobicContact CB-CE3 3.76Å; W273-W581 HydrophobicContact CB-CZ3 4.12Å; W273-W581 HydrophobicContact CD2-CB 3.9Å; W273-W581 HydrophobicContact CD2-CE3 4.2Å; W273-W581 HydrophobicContact CE3-CB 3.61Å; W273-W581 AromaticContact CG-CE3 3.74Å; W273-W581 HydrophobicContact CG-CE3 3.74Å; W273-W581 HydrophobicContact CG-CZ3 4.4Å; W273-W581 HydrophobicContact CH2-CB 4.21Å; W273-W581 HydrophobicContact CZ2-CB 4.44Å; W273-W581 HydrophobicContact CZ3-CB 3.79Å; W273-G585 CarbonylContact C-O 3.52Å; W273-G585 WeakPolarHBondContact CA-O 3.12Å; W273-Q587 HydrophobicContact CH2-CB 3.82Å; W273-Q587 HydrophobicContact CH2-CG 4.12Å; W273-Q587 HydrophobicContact CZ3-CB 3.85Å; W273-Q587 WeakPolarHBondContact CZ3-O 3.27Å
274	G	95.6	Very high	97.7	Very high	39 Å²	39	43.6 Å²	43.6	40%	0.402	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-4.7	-179.3	0	0	0	0	0	115.2	H272 G585	H272-G274 PolarHBondContact O-N 2.81Å; H272-G274 VanDerWaalsContact O-N 3.15Å; G274-G585 PolarHBondContact N-O 3.34Å
275	D	94.4	Very high	97.7	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	23%	0.229	C	C	.	.	S	Bend	trans	-87.3	170.6	172.5	-69.9	-7	0	0	0	110.4	H272 R323 P586 T630	H272-D275 HydrophobicContact CB-CB 4.37Å; H272-D275 WeakPolarHBondContact CB-OD2 3.49Å; H272-D275 IonicContact CG-OD2 2.71Å; H272-D275 IonicContact ND1-OD2 3.55Å; H272-D275 PolarHBondContact ND1-OD2 2.91Å; H272-D275 PolarHBondContact O-N 3.13Å; H272-D275 VanDerWaalsContact O-N 3.11Å; D275-R323 IonicContact OD2-NH1 2.69Å; D275-R323 PolarHBondContact OD2-NH1 2.78Å; D275-P586 WeakPolarHBondContact O-CB 3.33Å; D275-P586 VanDerWaalsContact O-CD 3.27Å; D275-P586 WeakPolarHBondContact O-CD 3.41Å; D275-P586 WeakPolarHBondContact O-CG 3.37Å; D275-T630 VanDerWaalsContact O-CG2 3.25Å; D275-T630 WeakPolarHBondContact O-CG2 3.44Å
276	Q	96.4	Very high	97.6	Very high	155 Å²	155	44.2 Å²	44.2	72%	0.724	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-79.6	146.3	168.1	-71.3	-175.6	-30.7	0	0	109.6	A278 T630	Q276-A278 PolarHBondContact O-N 3.05Å; Q276-T630 HydrophobicContact CG-CG2 4.07Å
277	H	97.6	Very high	97.6	Very high	26 Å²	26	49.1 Å²	49.1	12%	0.12	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-58.6	122.1	174.5	-179.2	53	0	0	0	110.5	D271 P586 L627 N628	D271-H277 WeakPolarHBondContact OD1-CA 3.42Å; D271-H277 IonicContact OD1-ND1 2.77Å; D271-H277 IonicContact OD2-CE1 3.2Å; D271-H277 IonicContact OD2-CG 3.46Å; D271-H277 IonicContact OD2-ND1 2.76Å; D271-H277 PolarHBondContact OD2-ND1 3.28Å; H277-P586 HydrophobicContact CB-CB 4.09Å; H277-P586 HydrophobicContact CB-CG 4.26Å; H277-L627 WeakPolarHBondContact CB-O 3.43Å; H277-N628 HydrophobicContact CB-CB 4.12Å
278	A	97.2	Very high	97.6	Very high	23 Å²	23	49.3 Å²	49.3	19%	0.19	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-75.9	133.4	-177.9	0	0	0	0	0	111.2	W269 D271 Q276 D332	W269-A278 HydrophobicContact CB-CB 3.72Å; D271-A278 PolarHBondContact OD1-N 3Å; Q276-A278 PolarHBondContact O-N 3.05Å; A278-D332 WeakPolarHBondContact O-CB 3.18Å
279	M	96.4	Very high	97.6	Very high	128 Å²	128	49.3 Å²	49.3	63%	0.631	26%	0.255	S	S	*	.			trans	-140.2	145	-179.8	-63.8	178.6	-68.5	0	0	110.9	D332	M279-D332 VanDerWaalsContact CA-OD2 3.25Å; M279-D332 WeakPolarHBondContact CA-OD2 3.23Å; M279-D332 HydrophobicContact CG-CB 4.36Å
280	V	97.5	Very high	97.6	Very high	26 Å²	26	46.8 Å²	46.8	16%	0.158	25%	0.248	C	C	.	.			trans	-130.2	122.5	175.4	-179	0	0	0	0	108.9	T240 K284 V285 D332 K344	T240-V280 HydrophobicContact CG2-CG1 3.99Å; V280-K284 HydrophobicContact CG1-CD 4.29Å; V280-V285 HydrophobicContact CB-CG2 4.46Å; V280-V285 HydrophobicContact CG1-CG2 3.76Å; V280-D332 PolarHBondContact N-OD2 3.25Å; V280-K344 WeakPolarHBondContact O-CE 3.11Å; V280-K344 PolarHBondContact O-NZ 2.9Å
281	G	97.6	Very high	97.7	Very high	43 Å²	43	50.3 Å²	50.3	44%	0.443	26%	0.264	S	S	.	.			trans	-61	138.9	-174	0	0	0	0	0	114.3	Q283 K284 V285	G281-Q283 VanDerWaalsContact C-N 3.32Å; G281-Q283 PolarHBondContact O-N 3.02Å; G281-K284 WeakPolarHBondContact O-CB 3.45Å; G281-K284 PolarHBondContact O-N 3.08Å; G281-V285 PolarHBondContact O-N 3.27Å
282	A	98.2	Very high	97.7	Very high	17 Å²	17	49.6 Å²	49.6	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-53.6	-43.2	-177.8	0	0	0	0	0	113.5	K284 V285 S286 K344	A282-K284 VanDerWaalsContact C-N 3.27Å; A282-K284 PolarHBondContact O-N 2.73Å; A282-V285 PolarHBondContact O-N 3.1Å; A282-S286 WeakPolarHBondContact O-CB 3.33Å; A282-S286 PolarHBondContact O-N 3.24Å; A282-S286 PolarHBondContact O-OG 2.97Å; A282-K344 HydrophobicContact CB-CB 3.96Å; A282-K344 HydrophobicContact CB-CG 4.26Å
283	Q	97.9	Very high	97.7	Very high	148 Å²	148	49.4 Å²	49.4	69%	0.692	26%	0.26	S	S	*	.	H	α-helix	trans	-64.7	-32.5	180	-63.9	81.1	2.5	0	0	112.4	G281 S286 R287	G281-Q283 VanDerWaalsContact C-N 3.32Å; G281-Q283 PolarHBondContact O-N 3.02Å; Q283-S286 WeakPolarHBondContact CA-OG 3.37Å; Q283-S286 PolarHBondContact O-OG 2.76Å; Q283-R287 VanDerWaalsContact O-CB 3.24Å; Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 2.78Å
284	K	97.9	Very high	97.7	Very high	56 Å²	56	53.3 Å²	53.3	24%	0.243	29%	0.286	C	S	.	.	H	α-helix	trans	-71	-43.7	178.7	-161.1	-168.5	179.8	-165.8	0	110.2	T240 D241 V280 G281 A282 V288	T240-K284 HydrophobicContact CG2-CD 4.35Å; T240-K284 HydrophobicContact CG2-CG 4.26Å; T240-K284 WeakPolarHBondContact O-CE 3.41Å; T240-K284 VanDerWaalsContact OG1-CD 3.31Å; T240-K284 WeakPolarHBondContact OG1-CD 3.44Å; T240-K284 WeakPolarHBondContact OG1-CE 3.29Å; T240-K284 PolarHBondContact OG1-NZ 3.5Å; D241-K284 WeakPolarHBondContact OD1-CE 3.39Å; D241-K284 IonicContact OD1-NZ 2.75Å; D241-K284 PolarHBondContact OD1-NZ 3.33Å; D241-K284 IonicContact OD2-NZ 2.99Å; D241-K284 PolarHBondContact OD2-NZ 2.84Å; V280-K284 HydrophobicContact CG1-CD 4.29Å; G281-K284 WeakPolarHBondContact O-CB 3.45Å; G281-K284 PolarHBondContact O-N 3.08Å; A282-K284 VanDerWaalsContact C-N 3.27Å; A282-K284 PolarHBondContact O-N 2.73Å; K284-V288 WeakPolarHBondContact O-CG2 3.26Å; K284-V288 PolarHBondContact O-N 3.29Å
285	V	98.7	Very high	97.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-50.4	175.4	178.4	0	0	0	0	110.6	T240 F265 T267 V280 G281 A282 R287 V288 L289 K344 I348	T240-V285 HydrophobicContact CG2-CG2 4.05Å; F265-V285 HydrophobicContact CE1-CG1 3.7Å; F265-V285 HydrophobicContact CZ-CB 4.44Å; F265-V285 HydrophobicContact CZ-CG1 3.93Å; F265-V285 WeakPolarHBondContact CZ-O 3.43Å; T267-V285 HydrophobicContact CG2-CG1 4.33Å; V280-V285 HydrophobicContact CB-CG2 4.46Å; V280-V285 HydrophobicContact CG1-CG2 3.76Å; G281-V285 PolarHBondContact O-N 3.27Å; A282-V285 PolarHBondContact O-N 3.1Å; V285-R287 PolarHBondContact O-N 3.16Å; V285-V288 PolarHBondContact O-N 2.99Å; V285-L289 WeakPolarHBondContact O-CB 3.31Å; V285-L289 PolarHBondContact O-N 3.42Å; V285-K344 HydrophobicContact CG2-CD 4.27Å; V285-I348 HydrophobicContact CG1-CD1 3.99Å; V285-I348 HydrophobicContact CG1-CG1 4.22Å
286	S	98.4	Very high	98	Very high	21 Å²	21	55.4 Å²	55.4	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-40.7	-177.2	66.8	0	0	0	0	112.5	A282 Q283 L289 E290	A282-S286 WeakPolarHBondContact O-CB 3.33Å; A282-S286 PolarHBondContact O-N 3.24Å; A282-S286 PolarHBondContact O-OG 2.97Å; Q283-S286 WeakPolarHBondContact CA-OG 3.37Å; Q283-S286 PolarHBondContact O-OG 2.76Å; S286-L289 PolarHBondContact O-N 3.41Å; S286-E290 WeakPolarHBondContact O-CB 3.35Å; S286-E290 PolarHBondContact O-N 2.78Å
287	R	98.4	Very high	98.1	Very high	133 Å²	133	48 Å²	48	50%	0.502	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-49.5	177.2	-177	-173.2	66	-170	-1.6	112	Q283 V285 L289 E290 E291	Q283-R287 VanDerWaalsContact O-CB 3.24Å; Q283-R287 WeakPolarHBondContact O-CB 3.32Å; Q283-R287 PolarHBondContact O-N 2.78Å; V285-R287 PolarHBondContact O-N 3.16Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.18Å; R287-E290 PolarHBondContact O-N 3.11Å; R287-E291 WeakPolarHBondContact CG-OE1 3.12Å; R287-E291 IonicContact NE-OE1 3.21Å; R287-E291 WeakPolarHBondContact O-CG 3.14Å; R287-E291 PolarHBondContact O-N 3.27Å
288	V	98.6	Very high	98.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-35.9	-179.5	172.6	0	0	0	0	110.9	T240 I244 F265 K284 V285 E291 M292	T240-V288 HydrophobicContact CG2-CG2 4.46Å; I244-V288 HydrophobicContact CD1-CB 4.41Å; I244-V288 HydrophobicContact CD1-CG1 3.75Å; I244-V288 HydrophobicContact CG1-CG1 4.2Å; F265-V288 HydrophobicContact CD2-CG1 4.26Å; F265-V288 HydrophobicContact CE2-CB 4Å; F265-V288 HydrophobicContact CE2-CG1 3.45Å; F265-V288 VanDerWaalsContact CE2-CG1 3.45Å; F265-V288 HydrophobicContact CZ-CB 3.88Å; F265-V288 HydrophobicContact CZ-CG1 3.79Å; K284-V288 WeakPolarHBondContact O-CG2 3.26Å; K284-V288 PolarHBondContact O-N 3.29Å; V285-V288 PolarHBondContact O-N 2.99Å; V288-E291 PolarHBondContact O-N 3.04Å; V288-M292 HydrophobicContact CG1-CE 4.16Å; V288-M292 WeakPolarHBondContact O-CG 3.5Å; V288-M292 PolarHBondContact O-N 2.94Å; V288-M292 VanDerWaalsContact O-N 3.08Å
289	L	98.8	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-49.8	171.4	177.9	63.2	0	0	0	111.9	F265 V285 S286 R287 E291 M292 L293 V299 M301 I348 V351 I352	F265-L289 HydrophobicContact CE1-CB 4.08Å; V285-L289 WeakPolarHBondContact O-CB 3.31Å; V285-L289 PolarHBondContact O-N 3.42Å; S286-L289 PolarHBondContact O-N 3.41Å; R287-L289 VanDerWaalsContact C-N 3.29Å; R287-L289 PolarHBondContact O-N 3.18Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.47Å; L289-M292 PolarHBondContact O-N 2.86Å; L289-L293 HydrophobicContact CD1-CD1 4.07Å; L289-L293 HydrophobicContact CD1-CD2 4.48Å; L289-L293 HydrophobicContact CD1-CG 4.06Å; L289-L293 HydrophobicContact CG-CD1 4.05Å; L289-L293 HydrophobicContact CG-CG 4.37Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 3.42Å; L289-V299 HydrophobicContact CD1-CG1 3.65Å; L289-V299 HydrophobicContact CD1-CG2 4.34Å; L289-M301 HydrophobicContact CD1-SD 4.46Å; L289-M301 HydrophobicContact CD2-SD 4.13Å; L289-I348 HydrophobicContact CD2-CB 4.32Å; L289-I348 HydrophobicContact CD2-CG1 4.2Å; L289-I348 HydrophobicContact CD2-CG2 3.82Å; L289-V351 HydrophobicContact CD2-CB 4.33Å; L289-V351 HydrophobicContact CD2-CG1 4.1Å; L289-V351 HydrophobicContact CG-CG1 4.03Å; L289-I352 HydrophobicContact CD2-CG1 4.43Å
290	E	98.8	Very high	98.4	Very high	66 Å²	66	39.7 Å²	39.7	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-58.5	-43.1	178.8	-176.9	174.2	-132.9	0	0	111.9	S286 R287 L293 T294 V351 Q354 F355	S286-E290 WeakPolarHBondContact O-CB 3.35Å; S286-E290 PolarHBondContact O-N 2.78Å; R287-E290 PolarHBondContact O-N 3.11Å; E290-L293 PolarHBondContact O-N 3.29Å; E290-T294 WeakPolarHBondContact O-CB 3.34Å; E290-T294 PolarHBondContact O-N 2.74Å; E290-T294 PolarHBondContact O-OG1 3.12Å; E290-V351 HydrophobicContact CB-CG1 3.72Å; E290-V351 HydrophobicContact CB-CG2 4.34Å; E290-V351 HydrophobicContact CG-CG1 4.36Å; E290-Q354 PolarHBondContact OE1-NE2 2.85Å; E290-Q354 VanDerWaalsContact OE1-NE2 3.17Å; E290-Q354 PolarHBondContact OE1-OE1 3.16Å; E290-F355 HydrophobicContact CG-CE2 4.22Å; E290-F355 HydrophobicContact CG-CZ 4.17Å
291	E	98.4	Very high	98.4	Very high	87 Å²	87	38.4 Å²	38.4	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-59.6	-47.3	175.3	-71.9	175	-150.6	0	0	111.5	I244 R287 V288 L289 T294 M295	I244-E291 HydrophobicContact CD1-CB 3.5Å; I244-E291 HydrophobicContact CD1-CG 4.34Å; I244-E291 WeakPolarHBondContact CD1-OE2 3.48Å; R287-E291 WeakPolarHBondContact CG-OE1 3.12Å; R287-E291 IonicContact NE-OE1 3.21Å; R287-E291 WeakPolarHBondContact O-CG 3.14Å; R287-E291 PolarHBondContact O-N 3.27Å; V288-E291 PolarHBondContact O-N 3.04Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.47Å; E291-T294 PolarHBondContact O-N 2.82Å; E291-M295 WeakPolarHBondContact O-CG 3.47Å; E291-M295 PolarHBondContact O-N 3.3Å; E291-M295 VanDerWaalsContact O-N 3.16Å
292	M	98.7	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-43.2	177.9	-70.1	-171.1	-68.2	0	0	112.6	F238 I244 F248 N262 F265 V288 L289 T294 M295 G296 A297 V299	F238-M292 HydrophobicContact CE2-SD 3.8Å; F238-M292 HydrophobicContact CZ-SD 3.78Å; I244-M292 HydrophobicContact CD1-CG 4.1Å; I244-M292 HydrophobicContact CG2-CG 3.98Å; F248-M292 HydrophobicContact CE2-CG 4.04Å; F248-M292 HydrophobicContact CE2-SD 4.48Å; F248-M292 HydrophobicContact CZ-CG 4.36Å; F248-M292 HydrophobicContact CZ-SD 4.29Å; N262-M292 HydrophobicContact CB-SD 3.91Å; F265-M292 HydrophobicContact CB-CE 4.07Å; F265-M292 HydrophobicContact CD1-CE 3.72Å; F265-M292 HydrophobicContact CD2-CE 3.81Å; F265-M292 HydrophobicContact CE1-CE 4.07Å; F265-M292 HydrophobicContact CE2-CE 4.17Å; F265-M292 HydrophobicContact CG-CE 3.58Å; F265-M292 HydrophobicContact CZ-CE 4.28Å; V288-M292 HydrophobicContact CG1-CE 4.16Å; V288-M292 WeakPolarHBondContact O-CG 3.5Å; V288-M292 PolarHBondContact O-N 2.94Å; V288-M292 VanDerWaalsContact O-N 3.08Å; L289-M292 PolarHBondContact O-N 2.86Å; M292-T294 VanDerWaalsContact C-N 3.35Å; M292-M295 WeakPolarHBondContact O-CB 3.36Å; M292-M295 PolarHBondContact O-N 3.24Å; M292-G296 PolarHBondContact O-N 3.22Å; M292-A297 HydrophobicContact CB-CB 4.37Å; M292-A297 WeakPolarHBondContact O-CB 3.3Å; M292-A297 PolarHBondContact O-N 3.08Å; M292-V299 HydrophobicContact CE-CB 4.42Å; M292-V299 HydrophobicContact CE-CG2 3.5Å; M292-V299 HydrophobicContact SD-CG2 4.14Å
293	L	98.6	Very high	98.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-37.7	179.2	-66.1	-178.3	0	0	0	111.8	I47 L289 E290 M295 G296 V299 V351 F355	I47-L293 HydrophobicContact CD1-CD1 3.91Å; I47-L293 HydrophobicContact CD1-CD2 3.75Å; I47-L293 HydrophobicContact CG1-CD2 3.78Å; L289-L293 HydrophobicContact CD1-CD1 4.07Å; L289-L293 HydrophobicContact CD1-CD2 4.48Å; L289-L293 HydrophobicContact CD1-CG 4.06Å; L289-L293 HydrophobicContact CG-CD1 4.05Å; L289-L293 HydrophobicContact CG-CG 4.37Å; L289-L293 WeakPolarHBondContact O-CG 3.43Å; L289-L293 PolarHBondContact O-N 3.42Å; E290-L293 PolarHBondContact O-N 3.29Å; L293-M295 VanDerWaalsContact C-N 3.26Å; L293-M295 PolarHBondContact O-N 2.92Å; L293-G296 WeakPolarHBondContact O-CA 3.26Å; L293-G296 PolarHBondContact O-N 3.3Å; L293-V299 HydrophobicContact CD2-CG1 3.88Å; L293-V351 HydrophobicContact CD1-CG1 4.15Å; L293-F355 HydrophobicContact CB-CD1 3.89Å; L293-F355 HydrophobicContact CB-CD2 3.85Å; L293-F355 HydrophobicContact CB-CE1 3.82Å; L293-F355 HydrophobicContact CB-CE2 3.79Å; L293-F355 HydrophobicContact CB-CG 3.91Å; L293-F355 HydrophobicContact CB-CZ 3.77Å; L293-F355 HydrophobicContact CD1-CD2 3.63Å; L293-F355 HydrophobicContact CD1-CE2 4.03Å; L293-F355 HydrophobicContact CD1-CG 4.14Å; L293-F355 HydrophobicContact CG-CD2 4.41Å
294	T	98.4	Very high	98.6	Very high	100 Å²	100	28.7 Å²	28.7	61%	0.613	15%	0.15	S	C	*	.	H	α-helix	trans	-61.2	-35	173.9	-58.1	0	0	0	0	112.1	E290 E291 M292 G296 F355	E290-T294 WeakPolarHBondContact O-CB 3.34Å; E290-T294 PolarHBondContact O-N 2.74Å; E290-T294 PolarHBondContact O-OG1 3.12Å; E291-T294 PolarHBondContact O-N 2.82Å; M292-T294 VanDerWaalsContact C-N 3.35Å; T294-G296 PolarHBondContact O-N 3.04Å; T294-F355 WeakPolarHBondContact OG1-CZ 3.44Å
295	M	97.6	Very high	98.6	Very high	84 Å²	84	26 Å²	26	41%	0.414	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.2	174	-66.4	177.1	69.3	0	0	113.6	I244 F248 L260 E291 M292 L293 A297	I244-M295 HydrophobicContact CG2-SD 3.76Å; F248-M295 HydrophobicContact CD2-CE 3.8Å; F248-M295 HydrophobicContact CD2-SD 4.18Å; F248-M295 HydrophobicContact CE2-SD 4.49Å; L260-M295 HydrophobicContact CD1-CE 4.09Å; E291-M295 WeakPolarHBondContact O-CG 3.47Å; E291-M295 PolarHBondContact O-N 3.3Å; E291-M295 VanDerWaalsContact O-N 3.16Å; M292-M295 WeakPolarHBondContact O-CB 3.36Å; M292-M295 PolarHBondContact O-N 3.24Å; L293-M295 VanDerWaalsContact C-N 3.26Å; L293-M295 PolarHBondContact O-N 2.92Å; M295-A297 VanDerWaalsContact C-N 3.26Å; M295-A297 PolarHBondContact O-N 3.5Å
296	G	97.8	Very high	98.6	Very high	42 Å²	42	26 Å²	26	43%	0.433	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	13.8	-174.3	0	0	0	0	0	113.9	Q45 M292 L293 T294	Q45-G296 VanDerWaalsContact NE2-C 3.31Å; M292-G296 PolarHBondContact O-N 3.22Å; L293-G296 WeakPolarHBondContact O-CA 3.26Å; L293-G296 PolarHBondContact O-N 3.3Å; T294-G296 PolarHBondContact O-N 3.04Å
297	A	98.7	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.			trans	-71.9	136.6	179.1	0	0	0	0	0	110.7	Q45 F248 L260 M292 M295	Q45-A297 PolarHBondContact NE2-O 3.49Å; F248-A297 HydrophobicContact CE1-CB 4.27Å; F248-A297 HydrophobicContact CE2-CB 3.76Å; F248-A297 HydrophobicContact CZ-CB 3.49Å; F248-A297 VanDerWaalsContact CZ-CB 3.49Å; L260-A297 HydrophobicContact CB-CB 3.67Å; L260-A297 CarbonylContact O-C 3.52Å; L260-A297 WeakPolarHBondContact O-CA 3.45Å; M292-A297 HydrophobicContact CB-CB 4.37Å; M292-A297 WeakPolarHBondContact O-CB 3.3Å; M292-A297 PolarHBondContact O-N 3.08Å; M295-A297 VanDerWaalsContact C-N 3.26Å; M295-A297 PolarHBondContact O-N 3.5Å
298	S	98.9	Very high	98.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.5	164.8	-60	0	0	0	0	108.9	Y46 L260 V261 N262	Y46-S298 VanDerWaalsContact CE2-CB 3.48Å; Y46-S298 PolarHBondContact N-OG 2.62Å; Y46-S298 WeakPolarHBondContact O-CA 3.43Å; L260-S298 PolarHBondContact O-N 2.74Å; V261-S298 WeakPolarHBondContact CA-O 3.32Å; N262-S298 PolarHBondContact N-O 3Å
299	V	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.5	-171	64.4	0	0	0	0	110.2	Y46 I47 S48 N262 F265 L289 M292 L293	Y46-V299 PolarHBondContact O-N 3.03Å; I47-V299 HydrophobicContact CG2-CG1 4.19Å; S48-V299 PolarHBondContact N-O 2.82Å; N262-V299 HydrophobicContact CB-CG2 4.49Å; N262-V299 CarbonylContact O-C 3.53Å; N262-V299 WeakPolarHBondContact O-CA 3.35Å; F265-V299 HydrophobicContact CB-CG2 3.74Å; F265-V299 HydrophobicContact CD1-CG2 4.24Å; F265-V299 HydrophobicContact CG-CG2 4.29Å; L289-V299 HydrophobicContact CD1-CG1 3.65Å; L289-V299 HydrophobicContact CD1-CG2 4.34Å; M292-V299 HydrophobicContact CE-CB 4.42Å; M292-V299 HydrophobicContact CE-CG2 3.5Å; M292-V299 HydrophobicContact SD-CG2 4.14Å; L293-V299 HydrophobicContact CD2-CG1 3.88Å
300	N	98.9	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.8	165.5	175.3	74	0	0	0	110.7	S48 G49 S50 Q77 N262 S263 F265 Y302	S48-N300 VanDerWaalsContact CB-OD1 3.29Å; S48-N300 WeakPolarHBondContact CB-OD1 3.3Å; S48-N300 CarbonylContact O-C 3.54Å; S48-N300 WeakPolarHBondContact O-CA 3.34Å; S48-N300 PolarHBondContact OG-OD1 2.61Å; G49-N300 VanDerWaalsContact C-OD1 3.22Å; G49-N300 WeakPolarHBondContact CA-OD1 3.39Å; G49-N300 PolarHBondContact N-OD1 2.83Å; S50-N300 PolarHBondContact N-OD1 3.22Å; S50-N300 PolarHBondContact OG-ND2 3.2Å; Q77-N300 WeakPolarHBondContact CB-OD1 3.37Å; Q77-N300 VanDerWaalsContact CD-CG 3.45Å; Q77-N300 VanDerWaalsContact CD-ND2 3.35Å; Q77-N300 PolarHBondContact NE2-ND2 3.33Å; N262-N300 PolarHBondContact O-N 2.95Å; S263-N300 WeakPolarHBondContact O-CB 3.14Å; S263-N300 PolarHBondContact O-ND2 3.21Å; F265-N300 WeakPolarHBondContact CB-O 3.27Å; F265-N300 PolarHBondContact N-O 3.45Å; N300-Y302 PolarHBondContact O-N 3.35Å
301	M	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111.9	177.1	-76.9	158.5	-72.4	0	0	110.9	I47 S48 S50 L73 F265 T267 L289 M303 F304 I348	I47-M301 HydrophobicContact CG2-CE 3.92Å; S48-M301 WeakPolarHBondContact O-CE 3.46Å; S48-M301 PolarHBondContact O-N 3.22Å; S50-M301 PolarHBondContact N-O 3.02Å; L73-M301 HydrophobicContact CD2-CE 3.39Å; F265-M301 HydrophobicContact CD1-CG 3.79Å; F265-M301 HydrophobicContact CE1-CG 4.46Å; T267-M301 HydrophobicContact CG2-CB 3.65Å; T267-M301 HydrophobicContact CG2-CG 3.96Å; L289-M301 HydrophobicContact CD1-SD 4.46Å; L289-M301 HydrophobicContact CD2-SD 4.13Å; M301-M303 CarbonylContact O-C 3.51Å; M301-F304 HydrophobicContact CB-CD2 4.3Å; M301-F304 HydrophobicContact CE-CD2 4.25Å; M301-F304 HydrophobicContact CE-CE2 4.42Å; M301-F304 PolarHBondContact O-N 3.07Å; M301-F304 HydrophobicContact SD-CD2 4.25Å; M301-F304 HydrophobicContact SD-CE2 4.39Å; M301-I348 HydrophobicContact CE-CG2 4.47Å; M301-I348 HydrophobicContact SD-CD1 4.08Å; M301-I348 HydrophobicContact SD-CG1 4.46Å; M301-I348 HydrophobicContact SD-CG2 3.74Å
302	Y	98.9	Very high	98.7	Very high	4 Å²	4	14 Å²	14	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.4	179.2	-168.2	-77.8	0	0	0	110.2	S50 H52 Y79 E264 F265 Y266 T267 N300 Y329 Y331	S50-Y302 WeakPolarHBondContact OG-CD2 3.26Å; H52-Y302 AromaticContact CE1-CE2 3.85Å; H52-Y302 AromaticContact CE1-CZ 3.98Å; H52-Y302 AromaticContact NE2-CE2 3.97Å; Y79-Y302 HydrophobicContact CD2-CE2 4.45Å; Y79-Y302 AromaticContact CE2-CE2 3.73Å; Y79-Y302 HydrophobicContact CE2-CE2 3.73Å; E264-Y302 HydrophobicContact CB-CG 4.26Å; E264-Y302 HydrophobicContact CG-CD2 4.08Å; E264-Y302 HydrophobicContact CG-CG 4.31Å; F265-Y302 PolarHBondContact O-N 3.24Å; Y266-Y302 CarbonylContact C-O 3.56Å; Y266-Y302 VanDerWaalsContact CA-O 3.22Å; Y266-Y302 WeakPolarHBondContact CA-O 3.16Å; Y266-Y302 HydrophobicContact CD1-CD1 4.3Å; T267-Y302 PolarHBondContact N-O 3.2Å; T267-Y302 PolarHBondContact OG1-O 2.76Å; N300-Y302 PolarHBondContact O-N 3.35Å; Y302-Y329 PolarHBondContact OH-OH 2.88Å; Y302-Y329 VanDerWaalsContact OH-OH 3.05Å; Y302-Y331 HydrophobicContact CD1-CE1 4.35Å; Y302-Y331 HydrophobicContact CD1-CE2 4.36Å; Y302-Y331 AromaticContact CD1-CZ 3.85Å; Y302-Y331 HydrophobicContact CE1-CE2 4.12Å; Y302-Y331 WeakPolarHBondContact O-CE1 3.15Å
303	M	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-85.1	156.8	-15.7	-66.6	-57.2	-65.2	0	0	111.7	S50 H52 T267 M301 E305 Y329 Y331 A333 P334	S50-M303 VanDerWaalsContact CB-SD 3.51Å; S50-M303 WeakPolarHBondContact O-CE 3.27Å; H52-M303 WeakPolarHBondContact CE1-CE 3.21Å; H52-M303 PolarHBondContact CE1-SD 3.44Å; T267-M303 WeakPolarHBondContact CG2-O 3.29Å; T267-M303 PolarHBondContact OG1-N 3.48Å; T267-M303 PolarHBondContact OG1-O 3.32Å; M301-M303 CarbonylContact O-C 3.51Å; M303-E305 WeakPolarHBondContact CE-O 3.36Å; M303-Y329 HydrophobicContact CG-CD1 4.39Å; M303-Y329 HydrophobicContact CG-CE1 3.6Å; M303-Y329 HydrophobicContact SD-CE1 4.15Å; M303-Y331 HydrophobicContact CB-CD1 3.93Å; M303-Y331 HydrophobicContact CB-CE1 4.48Å; M303-Y331 HydrophobicContact CB-CG 4.12Å; M303-Y331 HydrophobicContact CG-CD1 4.12Å; M303-Y331 HydrophobicContact CG-CD2 4.17Å; M303-Y331 HydrophobicContact CG-CE1 4.45Å; M303-Y331 HydrophobicContact CG-CE2 4.48Å; M303-Y331 HydrophobicContact CG-CG 3.99Å; M303-Y331 VanDerWaalsContact N-CE1 3.28Å; M303-A333 HydrophobicContact CB-CB 4.15Å; M303-P334 VanDerWaalsContact O-CD 3.23Å; M303-P334 WeakPolarHBondContact O-CD 3.16Å
304	F	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-42.3	164.4	-164.2	-77.6	0	0	0	111.3	S50 M68 T71 L73 M301 P334 L335 L345 I348	S50-F304 WeakPolarHBondContact O-CB 3.34Å; S50-F304 PolarHBondContact O-N 3.29Å; M68-F304 HydrophobicContact CB-CE1 4.43Å; M68-F304 HydrophobicContact CE-CB 3.86Å; M68-F304 HydrophobicContact CE-CD1 3.98Å; M68-F304 HydrophobicContact CE-CG 3.99Å; M68-F304 HydrophobicContact CG-CD1 3.55Å; M68-F304 HydrophobicContact CG-CE1 3.72Å; M68-F304 HydrophobicContact CG-CG 4.41Å; M68-F304 HydrophobicContact SD-CD1 4.32Å; T71-F304 HydrophobicContact CG2-CE2 4.14Å; T71-F304 HydrophobicContact CG2-CZ 3.76Å; L73-F304 HydrophobicContact CD1-CD1 4.46Å; L73-F304 HydrophobicContact CD1-CD2 3.75Å; L73-F304 HydrophobicContact CD1-CE1 4.48Å; L73-F304 HydrophobicContact CD1-CE2 3.78Å; L73-F304 HydrophobicContact CD1-CG 4.11Å; L73-F304 HydrophobicContact CD1-CZ 4.16Å; L73-F304 HydrophobicContact CD2-CE2 4.19Å; L73-F304 HydrophobicContact CG-CE2 4.29Å; M301-F304 HydrophobicContact CB-CD2 4.3Å; M301-F304 HydrophobicContact CE-CD2 4.25Å; M301-F304 HydrophobicContact CE-CE2 4.42Å; M301-F304 PolarHBondContact O-N 3.07Å; M301-F304 HydrophobicContact SD-CD2 4.25Å; M301-F304 HydrophobicContact SD-CE2 4.39Å; F304-P334 HydrophobicContact CD1-CB 4.38Å; F304-P334 HydrophobicContact CD2-CB 4.31Å; F304-P334 HydrophobicContact CD2-CG 4.13Å; F304-P334 HydrophobicContact CE1-CB 4.2Å; F304-P334 HydrophobicContact CE2-CB 4.11Å; F304-P334 HydrophobicContact CE2-CG 4.28Å; F304-P334 HydrophobicContact CG-CB 4.44Å; F304-P334 HydrophobicContact CG-CG 4.42Å; F304-P334 HydrophobicContact CZ-CB 4.05Å; F304-P334 WeakPolarHBondContact O-CD 3.41Å; F304-L335 HydrophobicContact CD1-CD1 4Å; F304-L335 HydrophobicContact CD1-CG 4.22Å; F304-L335 HydrophobicContact CE1-CD1 3.9Å; F304-L335 HydrophobicContact CE1-CG 3.96Å; F304-L335 PolarHBondContact O-N 2.92Å; F304-L345 HydrophobicContact CE1-CD1 4.02Å; F304-L345 HydrophobicContact CZ-CD1 4.08Å; F304-L345 HydrophobicContact CZ-CG 4.29Å; F304-I348 HydrophobicContact CE2-CG2 4.39Å
305	E	98.9	Very high	98.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.2	158.8	-174.5	172.6	166.5	0	0	107.2	S50 I56 R64 M303 L335	S50-E305 PolarHBondContact O-N 3.17Å; I56-E305 HydrophobicContact CD1-CG 4.06Å; R64-E305 WeakPolarHBondContact CB-OE2 3.38Å; R64-E305 WeakPolarHBondContact CD-OE1 3.33Å; R64-E305 WeakPolarHBondContact CD-OE2 3.48Å; R64-E305 WeakPolarHBondContact CG-OE1 3.19Å; R64-E305 WeakPolarHBondContact CG-OE2 3.18Å; R64-E305 IonicContact NE-OE1 2.79Å; R64-E305 PolarHBondContact NE-OE1 3.13Å; R64-E305 IonicContact NE-OE2 3.11Å; M303-E305 WeakPolarHBondContact CE-O 3.36Å; E305-L335 HydrophobicContact CB-CB 3.79Å; E305-L335 HydrophobicContact CB-CD1 4.1Å; E305-L335 HydrophobicContact CG-CB 3.91Å; E305-L335 WeakPolarHBondContact OE2-CD1 3.13Å
306	G	98.8	Very high	98.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.043	C	C	.	.			trans	-86	-46.8	179	0	0	0	0	0	113.2	R55 Y329	R55-G306 WeakPolarHBondContact CB-O 3.13Å; R55-G306 WeakPolarHBondContact CD-O 3.47Å; G306-Y329 CarbonylContact C-O 3.54Å; G306-Y329 WeakPolarHBondContact CA-O 3.46Å
307	G	98.8	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.			trans	85.7	-140.8	177.4	0	0	0	0	0	113.7	Y329	G307-Y329 PolarHBondContact N-O 2.83Å; G307-Y329 CarbonylContact O-C 3.43Å; G307-Y329 VanDerWaalsContact O-CA 3.23Å; G307-Y329 WeakPolarHBondContact O-CA 3.41Å; G307-Y329 WeakPolarHBondContact O-CB 3.37Å; G307-Y329 PolarHBondContact O-N 2.97Å
308	T	98.9	Very high	98.7	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-132.3	137	-172.9	-51.4	0	0	0	0	112	R55 F310 T327 E337	R55-T308 WeakPolarHBondContact CA-O 3.5Å; R55-T308 WeakPolarHBondContact CB-O 3.26Å; R55-T308 PolarHBondContact O-N 3.37Å; T308-F310 VanDerWaalsContact C-N 3.31Å; T308-F310 HydrophobicContact CG2-CD1 3.93Å; T308-F310 HydrophobicContact CG2-CD2 4.25Å; T308-F310 HydrophobicContact CG2-CE1 3.84Å; T308-F310 HydrophobicContact CG2-CE2 4.16Å; T308-F310 HydrophobicContact CG2-CG 4.14Å; T308-F310 HydrophobicContact CG2-CZ 3.95Å; T308-F310 PolarHBondContact O-N 3.33Å; T308-F310 VanDerWaalsContact O-N 3.1Å; T308-T327 HydrophobicContact CG2-CG2 3.96Å; T308-E337 WeakPolarHBondContact CG2-OE1 3.5Å; T308-E337 WeakPolarHBondContact OG1-CG 3.28Å; T308-E337 PolarHBondContact OG1-OE1 2.87Å
309	N	98.9	Very high	98.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.057	C	C	.	.			trans	-80	74.3	166.1	-61.8	-46.3	0	0	0	110.2	R55 N314 V326 T327	R55-N309 VanDerWaalsContact CZ-OD1 3.24Å; R55-N309 PolarHBondContact NE-OD1 3.38Å; R55-N309 PolarHBondContact NH2-OD1 3.05Å; N309-N314 HydrophobicContact CB-CB 3.99Å; N309-V326 PolarHBondContact ND2-O 3.27Å; N309-T327 WeakPolarHBondContact CA-O 3.47Å; N309-T327 WeakPolarHBondContact CB-O 3.36Å; N309-T327 PolarHBondContact N-O 3.21Å
310	F	98.8	Very high	97.7	Very high	31 Å²	31	16.8 Å²	16.8	14%	0.136	10%	0.095	C	C	.	.			trans	-59.4	156.5	178.4	-70.8	-70.1	0	0	0	112.5	P57 T308 Y312 W313 L577 Y591 P593	P57-F310 HydrophobicContact CG-CE2 4.15Å; P57-F310 HydrophobicContact CG-CZ 4.32Å; T308-F310 VanDerWaalsContact C-N 3.31Å; T308-F310 HydrophobicContact CG2-CD1 3.93Å; T308-F310 HydrophobicContact CG2-CD2 4.25Å; T308-F310 HydrophobicContact CG2-CE1 3.84Å; T308-F310 HydrophobicContact CG2-CE2 4.16Å; T308-F310 HydrophobicContact CG2-CG 4.14Å; T308-F310 HydrophobicContact CG2-CZ 3.95Å; T308-F310 PolarHBondContact O-N 3.33Å; T308-F310 VanDerWaalsContact O-N 3.1Å; F310-Y312 PolarHBondContact O-N 3.03Å; F310-Y312 VanDerWaalsContact O-N 3.1Å; F310-W313 WeakPolarHBondContact O-CB 3.5Å; F310-W313 PolarHBondContact O-N 2.89Å; F310-L577 HydrophobicContact CE1-CD2 4.4Å; F310-Y591 HydrophobicContact CZ-CD1 4.42Å; F310-P593 HydrophobicContact CE1-CG 4.3Å; F310-P593 HydrophobicContact CZ-CG 3.78Å
311	G	98.5	Very high	97.4	Very high	9 Å²	9	22.8 Å²	22.8	9%	0.093	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-114	178	0	0	0	0	0	113.5	Q569 N576 G578	G311-Q569 PolarHBondContact O-NE2 3.22Å; G311-N576 PolarHBondContact N-O 3.38Å; G311-G578 WeakPolarHBondContact O-CA 3.46Å
312	Y	98.8	Very high	97.4	Very high	16 Å²	16	23.9 Å²	23.9	6%	0.063	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	19.3	-177.6	-53.1	-65.9	0	0	0	112.5	F310 N314 Y413 D515 Q569 N576	F310-Y312 PolarHBondContact O-N 3.03Å; F310-Y312 VanDerWaalsContact O-N 3.1Å; Y312-N314 VanDerWaalsContact C-N 3.28Å; Y312-N314 PolarHBondContact O-N 2.88Å; Y312-Y413 HydrophobicContact CE1-CE2 4.22Å; Y312-D515 WeakPolarHBondContact CE2-OD2 3.4Å; Y312-Q569 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q569 HydrophobicContact CE1-CG 4.2Å; Y312-N576 PolarHBondContact OH-ND2 3.4Å
313	W	98.9	Very high	97.4	Very high	33 Å²	33	26.5 Å²	26.5	13%	0.125	13%	0.132	C	C	.	.			trans	-80.8	-1.5	-169.6	-66.5	127.2	0	0	0	115.3	N83 F84 W126 E127 F310 Y411	N83-W313 HydrophobicContact CB-CZ3 4.37Å; F84-W313 AromaticContact CD2-CE2 3.85Å; F84-W313 HydrophobicContact CD2-CH2 4.44Å; F84-W313 AromaticContact CD2-CZ2 3.82Å; F84-W313 HydrophobicContact CD2-CZ2 3.82Å; F84-W313 AromaticContact CD2-NE1 4Å; F84-W313 HydrophobicContact CE2-CZ2 4.45Å; F84-W313 AromaticContact CE2-NE1 3.96Å; W126-W313 WeakPolarHBondContact CA-O 3.28Å; W126-W313 HydrophobicContact CD2-CB 4.1Å; W126-W313 AromaticContact CE2-CD2 3.95Å; W126-W313 AromaticContact CE2-CE3 3.67Å; W126-W313 HydrophobicContact CE3-CB 3.89Å; W126-W313 HydrophobicContact CH2-CB 3.35Å; W126-W313 AromaticContact CH2-CD1 3.66Å; W126-W313 AromaticContact CH2-CD2 3.8Å; W126-W313 HydrophobicContact CH2-CD2 3.8Å; W126-W313 HydrophobicContact CH2-CE3 4.36Å; W126-W313 AromaticContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CZ2-CB 3.56Å; W126-W313 AromaticContact CZ2-CD1 3.98Å; W126-W313 AromaticContact CZ2-CD2 3.29Å; W126-W313 HydrophobicContact CZ2-CD2 3.29Å; W126-W313 AromaticContact CZ2-CE3 3.44Å; W126-W313 HydrophobicContact CZ2-CE3 3.44Å; W126-W313 VanDerWaalsContact CZ2-CE3 3.44Å; W126-W313 AromaticContact CZ2-CG 3.34Å; W126-W313 HydrophobicContact CZ2-CG 3.34Å; W126-W313 HydrophobicContact CZ2-CZ3 4.28Å; W126-W313 HydrophobicContact CZ3-CB 3.52Å; W126-W313 HydrophobicContact CZ3-CG 4.02Å; W126-W313 AromaticContact NE1-CE3 3.69Å; E127-W313 HydrophobicContact CB-CE3 4.1Å; E127-W313 HydrophobicContact CG-CE3 4.43Å; E127-W313 PolarHBondContact N-O 3.24Å; F310-W313 WeakPolarHBondContact O-CB 3.5Å; F310-W313 PolarHBondContact O-N 2.89Å; W313-Y411 HydrophobicContact CH2-CE2 4.08Å; W313-Y411 HydrophobicContact CZ3-CE1 4.31Å; W313-Y411 HydrophobicContact CZ3-CE2 4.28Å; W313-Y411 AromaticContact CZ3-CZ 3.79Å
314	N	98.9	Very high	97.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-64.3	140	175.4	75.1	-90.8	0	0	0	111	N309 Y312 S324 V325 M478 R579	N309-N314 HydrophobicContact CB-CB 3.99Å; Y312-N314 VanDerWaalsContact C-N 3.28Å; Y312-N314 PolarHBondContact O-N 2.88Å; N314-S324 PolarHBondContact ND2-OG 2.71Å; N314-S324 VanDerWaalsContact ND2-OG 3.1Å; N314-V325 HydrophobicContact CB-CB 4.37Å; N314-V325 PolarHBondContact ND2-O 3.48Å; N314-M478 PolarHBondContact ND2-O 3.35Å; N314-R579 PolarHBondContact OD1-NE 3.17Å; N314-R579 PolarHBondContact OD1-NH2 3.43Å
315	G	98.8	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.			trans	-81.6	-170.4	167.3	0	0	0	0	0	112.7	E125 V325	E125-G315 PolarHBondContact O-N 3.1Å; G315-V325 WeakPolarHBondContact O-CB 3.2Å; G315-V325 WeakPolarHBondContact O-CG2 3.5Å; G315-V325 PolarHBondContact O-N 2.96Å
316	A	98.8	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	157.7	169.2	0	0	0	0	0	111.1	F322 R323 G479 R480 V481 N482	A316-F322 HydrophobicContact CB-CD2 4.13Å; A316-F322 HydrophobicContact CB-CE2 3.34Å; A316-F322 HydrophobicContact CB-CZ 3.6Å; A316-R323 CarbonylContact C-O 3.49Å; A316-R323 WeakPolarHBondContact CA-O 3.41Å; A316-R323 VanDerWaalsContact CB-O 3.28Å; A316-R323 WeakPolarHBondContact CB-O 3.15Å; A316-G479 WeakPolarHBondContact CB-O 3.31Å; A316-R480 PolarHBondContact N-O 3.46Å; A316-R480 VanDerWaalsContact N-O 3.16Å; A316-V481 CarbonylContact O-C 3.52Å; A316-V481 WeakPolarHBondContact O-CA 3.28Å; A316-N482 PolarHBondContact N-ND2 2.82Å; A316-N482 PolarHBondContact O-N 3.48Å; A316-N482 PolarHBondContact O-ND2 2.94Å
317	D	98.1	Very high	97.3	Very high	19 Å²	19	26.8 Å²	26.8	10%	0.102	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	151.4	169.4	-72.6	-12.7	0	0	0	110.3	H272 R323 N482	H272-D317 IonicContact CE1-OD2 3.72Å; H272-D317 PolarHBondContact CE1-OD2 3.21Å; H272-D317 IonicContact NE2-OD2 2.74Å; H272-D317 PolarHBondContact NE2-OD2 3.07Å; D317-R323 PolarHBondContact N-O 2.74Å; D317-R323 PolarHBondContact O-N 3.42Å; D317-N482 PolarHBondContact OD1-ND2 2.81Å
318	H	95.6	Very high	97.3	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.111	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	73.6	174.9	-167	-21	0	0	0	112.3	D456 V481 K486	H318-D456 IonicContact CE1-OD2 3.64Å; H318-D456 IonicContact NE2-OD2 3.97Å; H318-V481 HydrophobicContact CB-CG1 4.18Å; H318-V481 HydrophobicContact CB-CG2 3.61Å; H318-K486 HydrophobicContact CB-CD 4.02Å; H318-K486 PolarHBondContact CE1-NZ 2.78Å; H318-K486 PolarHBondContact ND1-NZ 2.66Å; H318-K486 VanDerWaalsContact ND1-NZ 3.16Å; H318-K486 PolarHBondContact NE2-NZ 2.68Å
319	D	88.4	Confident	97.3	Very high	98 Å²	98	27.2 Å²	27.2	52%	0.524	14%	0.137	S	C	.	.	S	Bend	trans	-78.1	-94.6	169.5	-43.2	-52	0	0	0	109.2	R323	D319-R323 IonicContact OD2-CZ 3.88Å; D319-R323 IonicContact OD2-NH2 2.65Å; D319-R323 PolarHBondContact OD2-NH2 3.06Å
320	S	88.6	Confident	97.3	Very high	113 Å²	113	28 Å²	28	79%	0.79	14%	0.141	S	C	*	.	S	Bend	trans	-82.6	-28.4	176.2	58.3	0	0	0	0	113.6
321	R	94.3	Very high	97.3	Very high	126 Å²	126	26.9 Å²	26.9	48%	0.475	14%	0.136	S	C	.	.	S	Bend	trans	-150.1	157.2	177.7	67.8	-178.3	-175.6	-170.9	1.1	110.1	R323 D456	R321-R323 HydrophobicContact CG-CG 4.09Å; R321-R323 PolarHBondContact O-N 3.22Å; R321-D456 WeakPolarHBondContact CA-OD2 3.06Å; R321-D456 HydrophobicContact CB-CB 4.27Å
322	F	98.2	Very high	97.3	Very high	24 Å²	24	28.2 Å²	28.2	11%	0.105	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.5	170.9	179.3	-94.5	0	0	0	111.3	A316 D439 R455 D456 M478 G479 V481	A316-F322 HydrophobicContact CB-CD2 4.13Å; A316-F322 HydrophobicContact CB-CE2 3.34Å; A316-F322 HydrophobicContact CB-CZ 3.6Å; F322-D439 HydrophobicContact CD1-CB 4.33Å; F322-D439 HydrophobicContact CE1-CB 3.85Å; F322-D439 HydrophobicContact CZ-CB 4.14Å; F322-D439 VanDerWaalsContact CZ-CG 3.48Å; F322-D439 WeakPolarHBondContact CZ-OD2 3.38Å; F322-R455 HydrophobicContact CB-CG 4.28Å; F322-D456 PolarHBondContact N-OD2 3.07Å; F322-M478 HydrophobicContact CE1-CB 3.92Å; F322-M478 HydrophobicContact CE1-CE 4.4Å; F322-M478 HydrophobicContact CZ-CB 4.02Å; F322-G479 WeakPolarHBondContact CE2-O 3.44Å; F322-G479 WeakPolarHBondContact CZ-O 3.43Å; F322-V481 HydrophobicContact CD2-CG2 4.16Å; F322-V481 HydrophobicContact CE2-CG2 4.29Å
323	R	97.8	Very high	97.3	Very high	58 Å²	58	27.5 Å²	27.5	22%	0.219	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.6	176	-63.3	-175.5	-69.2	154.5	-0.3	109.4	H272 D275 A316 D317 D319 R321	H272-R323 HydrophobicContact CB-CB 4.14Å; H272-R323 PolarHBondContact CD2-O 2.98Å; H272-R323 PolarHBondContact ND1-NH1 2.86Å; D275-R323 IonicContact OD2-NH1 2.69Å; D275-R323 PolarHBondContact OD2-NH1 2.78Å; A316-R323 CarbonylContact C-O 3.49Å; A316-R323 WeakPolarHBondContact CA-O 3.41Å; A316-R323 VanDerWaalsContact CB-O 3.28Å; A316-R323 WeakPolarHBondContact CB-O 3.15Å; D317-R323 PolarHBondContact N-O 2.74Å; D317-R323 PolarHBondContact O-N 3.42Å; D319-R323 IonicContact OD2-CZ 3.88Å; D319-R323 IonicContact OD2-NH2 2.65Å; D319-R323 PolarHBondContact OD2-NH2 3.06Å; R321-R323 HydrophobicContact CG-CG 4.09Å; R321-R323 PolarHBondContact O-N 3.22Å
324	S	98.4	Very high	97.3	Very high	5 Å²	5	26 Å²	26	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.3	175.9	171.9	0	0	0	0	110.4	H272 W273 N314 M478	H272-S324 VanDerWaalsContact CA-O 3.32Å; H272-S324 WeakPolarHBondContact CA-O 3.37Å; W273-S324 PolarHBondContact N-O 2.67Å; W273-S324 VanDerWaalsContact N-O 3.07Å; N314-S324 PolarHBondContact ND2-OG 2.71Å; N314-S324 VanDerWaalsContact ND2-OG 3.1Å; S324-M478 PolarHBondContact OG-O 2.88Å
325	V	98.8	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-65.2	146.3	169.2	177.3	0	0	0	0	109.2	E125 L270 D271 N314 G315	E125-V325 HydrophobicContact CB-CG1 4.17Å; E125-V325 HydrophobicContact CB-CG2 4.01Å; E125-V325 HydrophobicContact CG-CG2 4.17Å; L270-V325 HydrophobicContact CD1-CG2 4.14Å; D271-V325 WeakPolarHBondContact O-CA 3.06Å; N314-V325 HydrophobicContact CB-CB 4.37Å; N314-V325 PolarHBondContact ND2-O 3.48Å; G315-V325 WeakPolarHBondContact O-CB 3.2Å; G315-V325 WeakPolarHBondContact O-CG2 3.5Å; G315-V325 PolarHBondContact O-N 2.96Å
326	V	98.8	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-75	170.8	179.7	-52.7	0	0	0	0	112.6	D271 H272 W273 N309 S328	D271-V326 HydrophobicContact CB-CG1 4.17Å; D271-V326 HydrophobicContact CB-CG2 3.61Å; D271-V326 PolarHBondContact O-N 3.03Å; D271-V326 VanDerWaalsContact O-N 3.09Å; H272-V326 VanDerWaalsContact C-CG1 3.42Å; W273-V326 HydrophobicContact CD2-CB 4.26Å; W273-V326 HydrophobicContact CD2-CG1 3.68Å; W273-V326 HydrophobicContact CE3-CG1 3.97Å; W273-V326 HydrophobicContact CG-CG1 3.95Å; W273-V326 HydrophobicContact CH2-CB 4.39Å; W273-V326 HydrophobicContact CZ2-CB 4.02Å; W273-V326 HydrophobicContact CZ2-CG1 4.33Å; W273-V326 HydrophobicContact CZ3-CG1 4.39Å; N309-V326 PolarHBondContact ND2-O 3.27Å; V326-S328 WeakPolarHBondContact CG2-O 3.35Å
327	T	98.9	Very high	97.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.142	C	C	.	.	S	Bend	trans	-71	-42.9	179.7	-59.8	0	0	0	0	111.1	T308 N309 Y329 L577 R579 L590	T308-T327 HydrophobicContact CG2-CG2 3.96Å; N309-T327 WeakPolarHBondContact CA-O 3.47Å; N309-T327 WeakPolarHBondContact CB-O 3.36Å; N309-T327 PolarHBondContact N-O 3.21Å; T327-Y329 PolarHBondContact O-N 3.01Å; T327-L577 WeakPolarHBondContact CG2-O 3.45Å; T327-R579 PolarHBondContact OG1-N 2.76Å; T327-R579 PolarHBondContact OG1-O 2.95Å; T327-L590 HydrophobicContact CG2-CD2 3.8Å
328	S	98.9	Very high	97.4	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.049	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-64.2	136.1	172.6	-174.4	0	0	0	0	109.4	V326 D330 E337	V326-S328 WeakPolarHBondContact CG2-O 3.35Å; S328-D330 WeakPolarHBondContact OG-CB 3.32Å; S328-D330 PolarHBondContact OG-N 2.92Å; S328-E337 VanDerWaalsContact CB-OE2 3.29Å; S328-E337 WeakPolarHBondContact CB-OE2 3.23Å; S328-E337 VanDerWaalsContact OG-CD 3.25Å; S328-E337 PolarHBondContact OG-OE2 3.1Å
329	Y	98.9	Very high	97.5	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.016	13%	0.133	C	C	.	.			trans	-119.5	40	165	-159.7	-109	0	0	0	108.7	R55 E125 L270 Y302 M303 G306 G307 T327 Y331	R55-Y329 VanDerWaalsContact CZ-CD1 3.47Å; R55-Y329 PolarHBondContact NH1-OH 2.87Å; E125-Y329 HydrophobicContact CB-CE2 3.68Å; E125-Y329 HydrophobicContact CG-CE2 4.14Å; E125-Y329 PolarHBondContact OE2-OH 2.73Å; L270-Y329 HydrophobicContact CB-CE2 4.45Å; Y302-Y329 PolarHBondContact OH-OH 2.88Å; Y302-Y329 VanDerWaalsContact OH-OH 3.05Å; M303-Y329 HydrophobicContact CG-CD1 4.39Å; M303-Y329 HydrophobicContact CG-CE1 3.6Å; M303-Y329 HydrophobicContact SD-CE1 4.15Å; G306-Y329 CarbonylContact C-O 3.54Å; G306-Y329 WeakPolarHBondContact CA-O 3.46Å; G307-Y329 PolarHBondContact N-O 2.83Å; G307-Y329 CarbonylContact O-C 3.43Å; G307-Y329 VanDerWaalsContact O-CA 3.23Å; G307-Y329 WeakPolarHBondContact O-CA 3.41Å; G307-Y329 WeakPolarHBondContact O-CB 3.37Å; G307-Y329 PolarHBondContact O-N 2.97Å; T327-Y329 PolarHBondContact O-N 3.01Å; Y329-Y331 HydrophobicContact CE1-CD2 4.11Å; Y329-Y331 HydrophobicContact CE2-CD2 4.12Å; Y329-Y331 AromaticContact CZ-CD2 3.8Å; Y329-Y331 PolarHBondContact O-N 2.82Å
330	D	98.8	Very high	98	Very high	16 Å²	16	22.5 Å²	22.5	9%	0.086	12%	0.116	C	C	.	.			trans	-52.8	-39	176.2	-178.8	-90.3	0	0	0	111.9	S328 D332 A333 T336 E337 L627	S328-D330 WeakPolarHBondContact OG-CB 3.32Å; S328-D330 PolarHBondContact OG-N 2.92Å; D330-D332 PolarHBondContact O-N 3.19Å; D330-D332 VanDerWaalsContact O-N 3.08Å; D330-D332 WeakPolarHBondContact OD1-CA 3.21Å; D330-D332 PolarHBondContact OD1-N 3.1Å; D330-A333 VanDerWaalsContact O-CB 3.26Å; D330-A333 WeakPolarHBondContact O-CB 3.32Å; D330-A333 PolarHBondContact O-N 3.33Å; D330-T336 VanDerWaalsContact OD2-CA 3.29Å; D330-T336 WeakPolarHBondContact OD2-CA 3.31Å; D330-T336 WeakPolarHBondContact OD2-CB 3.3Å; D330-E337 HydrophobicContact CB-CB 3.89Å; D330-E337 PolarHBondContact OD2-N 3.27Å; D330-L627 HydrophobicContact CB-CD1 3.5Å; D330-L627 VanDerWaalsContact CB-CD1 3.5Å
331	Y	98.8	Very high	98.5	Very high	9 Å²	9	19 Å²	19	4%	0.035	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	4.1	174.3	-157.8	-94.4	0	0	0	114	G268 W269 Y302 M303 Y329 A333	G268-Y331 CarbonylContact C-O 3.59Å; G268-Y331 WeakPolarHBondContact CA-O 3.5Å; G268-Y331 VanDerWaalsContact O-CE1 3.29Å; G268-Y331 WeakPolarHBondContact O-CE1 3.49Å; G268-Y331 PolarHBondContact O-OH 2.78Å; W269-Y331 VanDerWaalsContact C-CE2 3.47Å; W269-Y331 PolarHBondContact N-O 2.89Å; W269-Y331 WeakPolarHBondContact O-CA 3.41Å; Y302-Y331 HydrophobicContact CD1-CE1 4.35Å; Y302-Y331 HydrophobicContact CD1-CE2 4.36Å; Y302-Y331 AromaticContact CD1-CZ 3.85Å; Y302-Y331 HydrophobicContact CE1-CE2 4.12Å; Y302-Y331 WeakPolarHBondContact O-CE1 3.15Å; M303-Y331 HydrophobicContact CB-CD1 3.93Å; M303-Y331 HydrophobicContact CB-CE1 4.48Å; M303-Y331 HydrophobicContact CB-CG 4.12Å; M303-Y331 HydrophobicContact CG-CD1 4.12Å; M303-Y331 HydrophobicContact CG-CD2 4.17Å; M303-Y331 HydrophobicContact CG-CE1 4.45Å; M303-Y331 HydrophobicContact CG-CE2 4.48Å; M303-Y331 HydrophobicContact CG-CG 3.99Å; M303-Y331 VanDerWaalsContact N-CE1 3.28Å; Y329-Y331 HydrophobicContact CE1-CD2 4.11Å; Y329-Y331 HydrophobicContact CE2-CD2 4.12Å; Y329-Y331 AromaticContact CZ-CD2 3.8Å; Y329-Y331 PolarHBondContact O-N 2.82Å; Y331-A333 PolarHBondContact O-N 2.79Å
332	D	98.6	Very high	98.7	Very high	36 Å²	36	14.7 Å²	14.7	19%	0.193	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	37.5	-160.6	-176.1	35.9	0	0	0	110.5	A278 M279 V280 D330 K344	A278-D332 WeakPolarHBondContact O-CB 3.18Å; M279-D332 VanDerWaalsContact CA-OD2 3.25Å; M279-D332 WeakPolarHBondContact CA-OD2 3.23Å; M279-D332 HydrophobicContact CG-CB 4.36Å; V280-D332 PolarHBondContact N-OD2 3.25Å; D330-D332 PolarHBondContact O-N 3.19Å; D330-D332 VanDerWaalsContact O-N 3.08Å; D330-D332 WeakPolarHBondContact OD1-CA 3.21Å; D330-D332 PolarHBondContact OD1-N 3.1Å; D332-K344 PolarHBondContact O-NZ 2.74Å; D332-K344 IonicContact OD1-NZ 3.73Å; D332-K344 PolarHBondContact OD1-NZ 2.85Å; D332-K344 IonicContact OD2-NZ 2.98Å; D332-K344 PolarHBondContact OD2-NZ 3.24Å
333	A	98.9	Very high	98.7	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	11%	0.109	C	C	.	.			trans	-72.7	162.1	-177.5	0	0	0	0	0	112.1	M303 D330 Y331 L335	M303-A333 HydrophobicContact CB-CB 4.15Å; D330-A333 VanDerWaalsContact O-CB 3.26Å; D330-A333 WeakPolarHBondContact O-CB 3.32Å; D330-A333 PolarHBondContact O-N 3.33Å; Y331-A333 PolarHBondContact O-N 2.79Å; A333-L335 WeakPolarHBondContact CB-O 3.45Å; A333-L335 PolarHBondContact O-N 3.21Å
334	P	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-51.3	-36.3	172.9	-28.9	35.9	0	0	0	114	T267 M303 F304 T342 K344 L345 I348	T267-P334 HydrophobicContact CG2-CG 4.19Å; M303-P334 VanDerWaalsContact O-CD 3.23Å; M303-P334 WeakPolarHBondContact O-CD 3.16Å; F304-P334 HydrophobicContact CD1-CB 4.38Å; F304-P334 HydrophobicContact CD2-CB 4.31Å; F304-P334 HydrophobicContact CD2-CG 4.13Å; F304-P334 HydrophobicContact CE1-CB 4.2Å; F304-P334 HydrophobicContact CE2-CB 4.11Å; F304-P334 HydrophobicContact CE2-CG 4.28Å; F304-P334 HydrophobicContact CG-CB 4.44Å; F304-P334 HydrophobicContact CG-CG 4.42Å; F304-P334 HydrophobicContact CZ-CB 4.05Å; F304-P334 WeakPolarHBondContact O-CD 3.41Å; P334-T342 WeakPolarHBondContact O-CB 3.43Å; P334-T342 WeakPolarHBondContact O-CG2 3.47Å; P334-T342 PolarHBondContact O-N 2.93Å; P334-T342 PolarHBondContact O-OG1 3.27Å; P334-K344 HydrophobicContact CG-CD 4.31Å; P334-K344 HydrophobicContact CG-CG 4.41Å; P334-L345 HydrophobicContact CB-CB 3.92Å; P334-L345 VanDerWaalsContact O-CB 3.32Å; P334-L345 WeakPolarHBondContact O-CB 3.5Å; P334-I348 HydrophobicContact CB-CD1 4.06Å; P334-I348 HydrophobicContact CG-CD1 3.46Å; P334-I348 VanDerWaalsContact CG-CD1 3.46Å
335	L	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-105.6	131.5	164.9	-67.3	173.1	0	0	0	109.1	K67 M68 F304 E305 A333 D340 P341 L345	K67-L335 HydrophobicContact CB-CD1 4.08Å; K67-L335 HydrophobicContact CB-CD2 4.25Å; K67-L335 HydrophobicContact CD-CD2 4.06Å; M68-L335 HydrophobicContact CG-CD1 4.18Å; F304-L335 HydrophobicContact CD1-CD1 4Å; F304-L335 HydrophobicContact CD1-CG 4.22Å; F304-L335 HydrophobicContact CE1-CD1 3.9Å; F304-L335 HydrophobicContact CE1-CG 3.96Å; F304-L335 PolarHBondContact O-N 2.92Å; E305-L335 HydrophobicContact CB-CB 3.79Å; E305-L335 HydrophobicContact CB-CD1 4.1Å; E305-L335 HydrophobicContact CG-CB 3.91Å; E305-L335 WeakPolarHBondContact OE2-CD1 3.13Å; A333-L335 WeakPolarHBondContact CB-O 3.45Å; A333-L335 PolarHBondContact O-N 3.21Å; L335-D340 WeakPolarHBondContact CA-O 3.48Å; L335-P341 HydrophobicContact CD2-CB 4.47Å; L335-P341 HydrophobicContact CD2-CG 4.32Å; L335-L345 HydrophobicContact CD2-CD1 3.46Å; L335-L345 VanDerWaalsContact CD2-CD1 3.46Å; L335-L345 HydrophobicContact CG-CD1 3.87Å
336	T	98.9	Very high	98.7	Very high	31 Å²	31	22.7 Å²	22.7	19%	0.19	12%	0.12	C	C	.	.			trans	-64.4	173.1	178	68.5	0	0	0	0	112.2	D330 A338 G339 D340 T342	D330-T336 VanDerWaalsContact OD2-CA 3.29Å; D330-T336 WeakPolarHBondContact OD2-CA 3.31Å; D330-T336 WeakPolarHBondContact OD2-CB 3.3Å; T336-A338 PolarHBondContact O-N 3.49Å; T336-A338 PolarHBondContact OG1-N 2.95Å; T336-G339 WeakPolarHBondContact O-CA 3.45Å; T336-G339 PolarHBondContact O-N 3.39Å; T336-D340 HydrophobicContact CG2-CB 4.11Å; T336-D340 PolarHBondContact N-O 3.34Å; T336-D340 VanDerWaalsContact N-O 3.16Å; T336-D340 WeakPolarHBondContact OG1-CB 3.3Å; T336-D340 PolarHBondContact OG1-N 2.71Å; T336-T342 HydrophobicContact CG2-CG2 3.62Å
337	E	98.9	Very high	98.7	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-35.4	171.4	170.8	171.2	-156.3	0	0	113.2	T308 S328 D330 Y591	T308-E337 WeakPolarHBondContact CG2-OE1 3.5Å; T308-E337 WeakPolarHBondContact OG1-CG 3.28Å; T308-E337 PolarHBondContact OG1-OE1 2.87Å; S328-E337 VanDerWaalsContact CB-OE2 3.29Å; S328-E337 WeakPolarHBondContact CB-OE2 3.23Å; S328-E337 VanDerWaalsContact OG-CD 3.25Å; S328-E337 PolarHBondContact OG-OE2 3.1Å; D330-E337 HydrophobicContact CB-CB 3.89Å; D330-E337 PolarHBondContact OD2-N 3.27Å; E337-Y591 HydrophobicContact CG-CD1 4.25Å; E337-Y591 HydrophobicContact CG-CG 4.3Å
338	A	98.8	Very high	98.7	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.017	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9	179.1	0	0	0	0	0	114	R64 T336 F559 Y591	R64-A338 PolarHBondContact NH2-O 2.97Å; T336-A338 PolarHBondContact O-N 3.49Å; T336-A338 PolarHBondContact OG1-N 2.95Å; A338-F559 HydrophobicContact CB-CE1 4.41Å; A338-F559 HydrophobicContact CB-CZ 3.97Å; A338-Y591 HydrophobicContact CB-CD2 4.02Å; A338-Y591 HydrophobicContact CB-CE2 3.66Å
339	G	98.7	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.			trans	75.8	25.1	179.4	0	0	0	0	0	114.4	K67 T336	K67-G339 PolarHBondContact NZ-O 2.98Å; T336-G339 WeakPolarHBondContact O-CA 3.45Å; T336-G339 PolarHBondContact O-N 3.39Å
340	D	98.8	Very high	98.7	Very high	33 Å²	33	28.3 Å²	28.3	18%	0.176	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-82.8	131.2	-179.4	-61.4	-20	0	0	0	110.4	L335 T336 T342 A366 K369	L335-D340 WeakPolarHBondContact CA-O 3.48Å; T336-D340 HydrophobicContact CG2-CB 4.11Å; T336-D340 PolarHBondContact N-O 3.34Å; T336-D340 VanDerWaalsContact N-O 3.16Å; T336-D340 WeakPolarHBondContact OG1-CB 3.3Å; T336-D340 PolarHBondContact OG1-N 2.71Å; D340-T342 PolarHBondContact O-N 3.32Å; D340-A366 HydrophobicContact CB-CB 3.94Å; D340-A366 WeakPolarHBondContact OD1-CA 3.2Å; D340-A366 WeakPolarHBondContact OD1-CB 3.37Å; D340-K369 IonicContact OD1-NZ 3.04Å; D340-K369 PolarHBondContact OD1-NZ 3.43Å; D340-K369 IonicContact OD2-NZ 3.32Å; D340-K369 PolarHBondContact OD2-NZ 3.45Å
341	P	98.6	Very high	98.7	Very high	40 Å²	40	27.9 Å²	27.9	26%	0.26	15%	0.15	S	C	.	.	B	Isolated β-bridge	trans	-63.1	129	173.4	-20.9	32.2	0	0	0	112.2	K67 L335 L345 M363 P364	K67-P341 HydrophobicContact CD-CG 4.43Å; L335-P341 HydrophobicContact CD2-CB 4.47Å; L335-P341 HydrophobicContact CD2-CG 4.32Å; P341-L345 HydrophobicContact CB-CD1 4.27Å; P341-L345 HydrophobicContact CB-CD2 4.42Å; P341-M363 HydrophobicContact CB-CG 3.98Å; P341-M363 HydrophobicContact CG-CG 3.78Å; P341-M363 HydrophobicContact CG-SD 4.31Å; P341-P364 WeakPolarHBondContact CG-O 3.19Å
342	T	98.6	Very high	98.7	Very high	34 Å²	34	27.4 Å²	27.4	21%	0.209	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-103.5	171.5	179.6	67.3	0	0	0	0	112.6	P334 T336 D340 K344 L345 L346	P334-T342 WeakPolarHBondContact O-CB 3.43Å; P334-T342 WeakPolarHBondContact O-CG2 3.47Å; P334-T342 PolarHBondContact O-N 2.93Å; P334-T342 PolarHBondContact O-OG1 3.27Å; T336-T342 HydrophobicContact CG2-CG2 3.62Å; D340-T342 PolarHBondContact O-N 3.32Å; T342-K344 PolarHBondContact O-N 2.63Å; T342-K344 WeakPolarHBondContact OG1-CB 3.44Å; T342-K344 PolarHBondContact OG1-N 2.86Å; T342-L345 PolarHBondContact O-N 3.21Å; T342-L345 PolarHBondContact OG1-N 3.49Å; T342-L346 PolarHBondContact O-N 3.47Å
343	E	98.1	Very high	98.6	Very high	161 Å²	161	30.3 Å²	30.3	75%	0.752	16%	0.159	S	C	*	.	H	α-helix	trans	-58.6	-32.6	168.3	-64.6	-176.8	176.6	0	0	112.1	L346 A347	E343-L346 PolarHBondContact O-N 3.34Å; E343-A347 PolarHBondContact O-N 2.96Å
344	K	98.8	Very high	98.6	Very high	9 Å²	9	36 Å²	36	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-42.1	175.7	-174.5	179.6	-62.9	178.2	0	111.6	T267 V280 A282 V285 D332 P334 T342 L346 A347 I348	T267-K344 PolarHBondContact O-NZ 2.89Å; V280-K344 WeakPolarHBondContact O-CE 3.11Å; V280-K344 PolarHBondContact O-NZ 2.9Å; A282-K344 HydrophobicContact CB-CB 3.96Å; A282-K344 HydrophobicContact CB-CG 4.26Å; V285-K344 HydrophobicContact CG2-CD 4.27Å; D332-K344 PolarHBondContact O-NZ 2.74Å; D332-K344 IonicContact OD1-NZ 3.73Å; D332-K344 PolarHBondContact OD1-NZ 2.85Å; D332-K344 IonicContact OD2-NZ 2.98Å; D332-K344 PolarHBondContact OD2-NZ 3.24Å; P334-K344 HydrophobicContact CG-CD 4.31Å; P334-K344 HydrophobicContact CG-CG 4.41Å; T342-K344 PolarHBondContact O-N 2.63Å; T342-K344 WeakPolarHBondContact OG1-CB 3.44Å; T342-K344 PolarHBondContact OG1-N 2.86Å; K344-L346 VanDerWaalsContact C-N 3.34Å; K344-L346 PolarHBondContact O-N 2.6Å; K344-A347 PolarHBondContact O-N 3.12Å; K344-I348 HydrophobicContact CG-CD1 4.06Å; K344-I348 WeakPolarHBondContact O-CB 3.33Å; K344-I348 VanDerWaalsContact O-CG1 3.3Å; K344-I348 WeakPolarHBondContact O-CG1 3.37Å; K344-I348 PolarHBondContact O-N 3.46Å
345	L	98.7	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-42.2	173.8	177.4	155	0	0	0	111.9	T71 F304 P334 L335 P341 T342 I348 R349 M363	T71-L345 HydrophobicContact CG2-CG 4.26Å; F304-L345 HydrophobicContact CE1-CD1 4.02Å; F304-L345 HydrophobicContact CZ-CD1 4.08Å; F304-L345 HydrophobicContact CZ-CG 4.29Å; P334-L345 HydrophobicContact CB-CB 3.92Å; P334-L345 VanDerWaalsContact O-CB 3.32Å; P334-L345 WeakPolarHBondContact O-CB 3.5Å; L335-L345 HydrophobicContact CD2-CD1 3.46Å; L335-L345 VanDerWaalsContact CD2-CD1 3.46Å; L335-L345 HydrophobicContact CG-CD1 3.87Å; P341-L345 HydrophobicContact CB-CD1 4.27Å; P341-L345 HydrophobicContact CB-CD2 4.42Å; T342-L345 PolarHBondContact O-N 3.21Å; T342-L345 PolarHBondContact OG1-N 3.49Å; L345-I348 PolarHBondContact O-N 2.52Å; L345-R349 WeakPolarHBondContact O-CB 3.46Å; L345-R349 PolarHBondContact O-N 3.47Å; L345-M363 HydrophobicContact CD1-SD 4.5Å; L345-M363 HydrophobicContact CD2-CE 3.6Å; L345-M363 HydrophobicContact CD2-CG 4.44Å; L345-M363 HydrophobicContact CD2-SD 4.2Å
346	L	98.3	Very high	98.4	Very high	85 Å²	85	43.2 Å²	43.2	45%	0.445	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-42.9	179.2	-62.7	178.1	0	0	0	111.2	T342 E343 K344 I348 R349 D350	T342-L346 PolarHBondContact O-N 3.47Å; E343-L346 PolarHBondContact O-N 3.34Å; K344-L346 VanDerWaalsContact C-N 3.34Å; K344-L346 PolarHBondContact O-N 2.6Å; L346-I348 PolarHBondContact O-N 3.36Å; L346-R349 WeakPolarHBondContact O-CB 3.22Å; L346-R349 PolarHBondContact O-N 2.82Å; L346-D350 PolarHBondContact O-N 3.21Å
347	A	98.7	Very high	98.3	Very high	26 Å²	26	49.1 Å²	49.1	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-42.3	175.4	0	0	0	0	0	112.4	E343 K344 D350 V351	E343-A347 PolarHBondContact O-N 2.96Å; K344-A347 PolarHBondContact O-N 3.12Å; A347-D350 PolarHBondContact O-N 2.65Å; A347-V351 PolarHBondContact O-N 3.17Å; A347-V351 VanDerWaalsContact O-N 3.12Å
348	I	98.8	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-46.2	174.3	-73.2	165	0	0	0	110.8	T71 V285 L289 M301 F304 P334 K344 L345 L346 D350 V351 I352	T71-I348 HydrophobicContact CG2-CG2 4.08Å; V285-I348 HydrophobicContact CG1-CD1 3.99Å; V285-I348 HydrophobicContact CG1-CG1 4.22Å; L289-I348 HydrophobicContact CD2-CB 4.32Å; L289-I348 HydrophobicContact CD2-CG1 4.2Å; L289-I348 HydrophobicContact CD2-CG2 3.82Å; M301-I348 HydrophobicContact CE-CG2 4.47Å; M301-I348 HydrophobicContact SD-CD1 4.08Å; M301-I348 HydrophobicContact SD-CG1 4.46Å; M301-I348 HydrophobicContact SD-CG2 3.74Å; F304-I348 HydrophobicContact CE2-CG2 4.39Å; P334-I348 HydrophobicContact CB-CD1 4.06Å; P334-I348 HydrophobicContact CG-CD1 3.46Å; P334-I348 VanDerWaalsContact CG-CD1 3.46Å; K344-I348 HydrophobicContact CG-CD1 4.06Å; K344-I348 WeakPolarHBondContact O-CB 3.33Å; K344-I348 VanDerWaalsContact O-CG1 3.3Å; K344-I348 WeakPolarHBondContact O-CG1 3.37Å; K344-I348 PolarHBondContact O-N 3.46Å; L345-I348 PolarHBondContact O-N 2.52Å; L346-I348 PolarHBondContact O-N 3.36Å; I348-D350 VanDerWaalsContact C-N 3.26Å; I348-D350 PolarHBondContact O-N 2.81Å; I348-V351 PolarHBondContact O-N 2.69Å; I348-I352 HydrophobicContact CG2-CD1 3.72Å; I348-I352 HydrophobicContact CG2-CG1 4.39Å; I348-I352 WeakPolarHBondContact O-CG1 3.17Å; I348-I352 PolarHBondContact O-N 2.75Å
349	R	98.5	Very high	97.9	Very high	22 Å²	22	51.6 Å²	51.6	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-55.5	-44.4	176.1	-175.8	-172.2	179.2	105.3	8.6	110.9	M70 T71 L345 L346 V351 I352 K353 I358 P359 M363	M70-R349 PolarHBondContact O-NH1 3.1Å; M70-R349 PolarHBondContact O-NH2 3.29Å; T71-R349 HydrophobicContact CG2-CB 3.9Å; T71-R349 WeakPolarHBondContact O-CG 3.2Å; L345-R349 WeakPolarHBondContact O-CB 3.46Å; L345-R349 PolarHBondContact O-N 3.47Å; L346-R349 WeakPolarHBondContact O-CB 3.22Å; L346-R349 PolarHBondContact O-N 2.82Å; R349-V351 VanDerWaalsContact C-N 3.35Å; R349-I352 PolarHBondContact O-N 2.86Å; R349-K353 WeakPolarHBondContact O-CG 3.22Å; R349-K353 PolarHBondContact O-N 3.29Å; R349-I358 HydrophobicContact CG-CD1 3.82Å; R349-I358 VanDerWaalsContact CZ-CD1 3.41Å; R349-P359 PolarHBondContact NH2-O 2.96Å; R349-P359 VanDerWaalsContact NH2-O 3.13Å; R349-M363 VanDerWaalsContact NH1-CE 3.3Å
350	D	98.3	Very high	97.6	Very high	83 Å²	83	56.3 Å²	56.3	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-34.6	-178.5	-72.6	-19.3	0	0	0	112.9	L346 A347 I348 K353	L346-D350 PolarHBondContact O-N 3.21Å; A347-D350 PolarHBondContact O-N 2.65Å; I348-D350 VanDerWaalsContact C-N 3.26Å; I348-D350 PolarHBondContact O-N 2.81Å; D350-K353 IonicContact OD1-NZ 2.76Å; D350-K353 PolarHBondContact OD1-NZ 3.21Å
351	V	98.8	Very high	97.3	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-50.1	169.6	172.4	0	0	0	0	110.8	L289 E290 L293 A347 I348 R349 K353 Q354 F355	L289-V351 HydrophobicContact CD2-CB 4.33Å; L289-V351 HydrophobicContact CD2-CG1 4.1Å; L289-V351 HydrophobicContact CG-CG1 4.03Å; E290-V351 HydrophobicContact CB-CG1 3.72Å; E290-V351 HydrophobicContact CB-CG2 4.34Å; E290-V351 HydrophobicContact CG-CG1 4.36Å; L293-V351 HydrophobicContact CD1-CG1 4.15Å; A347-V351 PolarHBondContact O-N 3.17Å; A347-V351 VanDerWaalsContact O-N 3.12Å; I348-V351 PolarHBondContact O-N 2.69Å; R349-V351 VanDerWaalsContact C-N 3.35Å; V351-K353 VanDerWaalsContact C-N 3.27Å; V351-K353 PolarHBondContact O-N 2.99Å; V351-Q354 WeakPolarHBondContact O-CB 3.35Å; V351-Q354 PolarHBondContact O-N 3.14Å; V351-F355 HydrophobicContact CG1-CD2 4.44Å; V351-F355 HydrophobicContact CG1-CE2 4.01Å; V351-F355 VanDerWaalsContact O-CD2 3.28Å; V351-F355 WeakPolarHBondContact O-CD2 3.29Å
352	I	98.7	Very high	97.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-37.3	-176.3	-66.5	170.3	0	0	0	112	I47 T71 L73 L289 I348 R349 Q354 F355 R356 I358	I47-I352 HydrophobicContact CD1-CG1 4.44Å; I47-I352 HydrophobicContact CD1-CG2 4.13Å; I47-I352 HydrophobicContact CG2-CD1 3.81Å; I47-I352 HydrophobicContact CG2-CG1 4.08Å; T71-I352 HydrophobicContact CG2-CD1 4.36Å; L73-I352 HydrophobicContact CD2-CD1 3.82Å; L289-I352 HydrophobicContact CD2-CG1 4.43Å; I348-I352 HydrophobicContact CG2-CD1 3.72Å; I348-I352 HydrophobicContact CG2-CG1 4.39Å; I348-I352 WeakPolarHBondContact O-CG1 3.17Å; I348-I352 PolarHBondContact O-N 2.75Å; R349-I352 PolarHBondContact O-N 2.86Å; I352-Q354 PolarHBondContact O-N 3.3Å; I352-Q354 VanDerWaalsContact O-N 3.1Å; I352-F355 PolarHBondContact O-N 2.81Å; I352-R356 HydrophobicContact CG2-CG 3.73Å; I352-R356 PolarHBondContact O-N 3.32Å; I352-R356 VanDerWaalsContact O-N 3.16Å; I352-I358 HydrophobicContact CG2-CG2 3.9Å
353	K	97.9	Very high	97	Very high	96 Å²	96	60.9 Å²	60.9	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-54.4	-26.9	175.1	-76.4	173.3	-172.3	158.1	0	114	R349 D350 V351 F355 I358	R349-K353 WeakPolarHBondContact O-CG 3.22Å; R349-K353 PolarHBondContact O-N 3.29Å; D350-K353 IonicContact OD1-NZ 2.76Å; D350-K353 PolarHBondContact OD1-NZ 3.21Å; V351-K353 VanDerWaalsContact C-N 3.27Å; V351-K353 PolarHBondContact O-N 2.99Å; K353-F355 VanDerWaalsContact C-N 3.32Å; K353-I358 HydrophobicContact CD-CD1 3.88Å; K353-I358 HydrophobicContact CG-CD1 3.38Å; K353-I358 HydrophobicContact CG-CG1 3.78Å; K353-I358 HydrophobicContact CG-CG2 4.09Å
354	Q	98.2	Very high	97	Very high	123 Å²	123	54.4 Å²	54.4	58%	0.575	31%	0.308	S	S	*	.	H	α-helix	trans	-75.6	-23.6	-179.4	-55.5	-175.9	49.3	0	0	112.4	E290 V351 I352	E290-Q354 PolarHBondContact OE1-NE2 2.85Å; E290-Q354 VanDerWaalsContact OE1-NE2 3.17Å; E290-Q354 PolarHBondContact OE1-OE1 3.16Å; V351-Q354 WeakPolarHBondContact O-CB 3.35Å; V351-Q354 PolarHBondContact O-N 3.14Å; I352-Q354 PolarHBondContact O-N 3.3Å; I352-Q354 VanDerWaalsContact O-N 3.1Å
355	F	97.9	Very high	96.9	Very high	71 Å²	71	58.9 Å²	58.9	31%	0.311	34%	0.338	S	S	.	.	H	α-helix	trans	-105.9	-19.1	-174.1	-63.4	-85	0	0	0	113.4	E290 L293 T294 V351 I352 K353	E290-F355 HydrophobicContact CG-CE2 4.22Å; E290-F355 HydrophobicContact CG-CZ 4.17Å; L293-F355 HydrophobicContact CB-CD1 3.89Å; L293-F355 HydrophobicContact CB-CD2 3.85Å; L293-F355 HydrophobicContact CB-CE1 3.82Å; L293-F355 HydrophobicContact CB-CE2 3.79Å; L293-F355 HydrophobicContact CB-CG 3.91Å; L293-F355 HydrophobicContact CB-CZ 3.77Å; L293-F355 HydrophobicContact CD1-CD2 3.63Å; L293-F355 HydrophobicContact CD1-CE2 4.03Å; L293-F355 HydrophobicContact CD1-CG 4.14Å; L293-F355 HydrophobicContact CG-CD2 4.41Å; T294-F355 WeakPolarHBondContact OG1-CZ 3.44Å; V351-F355 HydrophobicContact CG1-CD2 4.44Å; V351-F355 HydrophobicContact CG1-CE2 4.01Å; V351-F355 VanDerWaalsContact O-CD2 3.28Å; V351-F355 WeakPolarHBondContact O-CD2 3.29Å; I352-F355 PolarHBondContact O-N 2.81Å; K353-F355 VanDerWaalsContact C-N 3.32Å
356	R	96.1	Very high	96.9	Very high	80 Å²	80	61.2 Å²	61.2	30%	0.302	36%	0.357	S	S	.	.	S	Bend	trans	-160	159.3	-179.3	59.4	176.5	-62	-168.2	2.5	112.5	I47 G72 N74 I352 I358	I47-R356 HydrophobicContact CD1-CG 4.49Å; G72-R356 PolarHBondContact O-NH1 3.18Å; N74-R356 VanDerWaalsContact N-NH1 3.18Å; N74-R356 PolarHBondContact ND2-NH1 3.39Å; N74-R356 VanDerWaalsContact ND2-NH1 3.2Å; I352-R356 HydrophobicContact CG2-CG 3.73Å; I352-R356 PolarHBondContact O-N 3.32Å; I352-R356 VanDerWaalsContact O-N 3.16Å; R356-I358 PolarHBondContact O-N 3.49Å
357	D	95.5	Very high	96.8	Very high	155 Å²	155	58 Å²	58	83%	0.829	34%	0.341	S	S	*	.			trans	-61.6	137.2	165.3	-63.8	-37.1	0	0	0	110.2
358	I	95.9	Very high	96.8	Very high	36 Å²	36	59.9 Å²	59.9	19%	0.185	35%	0.351	C	S	.	.			trans	-115.7	158.8	174.9	69.5	160.8	0	0	0	110.3	R349 I352 K353 R356 A360	R349-I358 HydrophobicContact CG-CD1 3.82Å; R349-I358 VanDerWaalsContact CZ-CD1 3.41Å; I352-I358 HydrophobicContact CG2-CG2 3.9Å; K353-I358 HydrophobicContact CD-CD1 3.88Å; K353-I358 HydrophobicContact CG-CD1 3.38Å; K353-I358 HydrophobicContact CG-CG1 3.78Å; K353-I358 HydrophobicContact CG-CG2 4.09Å; R356-I358 PolarHBondContact O-N 3.49Å; I358-A360 PolarHBondContact O-N 3.37Å
359	P	95.3	Very high	96.8	Very high	22 Å²	22	61.6 Å²	61.6	14%	0.143	36%	0.359	C	S	.	.			trans	-57	134	177.2	-27.2	37.8	0	0	0	112.9	Y69 M70 R349	Y69-P359 HydrophobicContact CD1-CB 4.21Å; Y69-P359 HydrophobicContact CD1-CG 3.68Å; Y69-P359 HydrophobicContact CD2-CG 4.32Å; Y69-P359 HydrophobicContact CE1-CB 3.67Å; Y69-P359 HydrophobicContact CE1-CG 3.25Å; Y69-P359 HydrophobicContact CE2-CG 3.96Å; Y69-P359 HydrophobicContact CG-CG 4.2Å; Y69-P359 VanDerWaalsContact CZ-CG 3.41Å; Y69-P359 WeakPolarHBondContact O-CG 3.44Å; M70-P359 HydrophobicContact CE-CB 4.39Å; M70-P359 HydrophobicContact SD-CB 3.58Å; M70-P359 VanDerWaalsContact SD-CB 3.58Å; M70-P359 HydrophobicContact SD-CG 4.47Å; R349-P359 PolarHBondContact NH2-O 2.96Å; R349-P359 VanDerWaalsContact NH2-O 3.13Å
360	A	92.2	Very high	96.8	Very high	99 Å²	99	63.9 Å²	63.9	82%	0.818	37%	0.369	S	S	*	.			trans	-74.1	153.8	174.5	0	0	0	0	0	111.4	M70 I358	M70-A360 WeakPolarHBondContact CE-O 3.48Å; I358-A360 PolarHBondContact O-N 3.37Å
361	G	92.3	Very high	96.8	Very high	50 Å²	50	62.2 Å²	62.2	52%	0.515	37%	0.367	S	S	.	.	S	Bend	trans	106.3	170.1	-179.9	0	0	0	0	0	113.5	M70	M70-G361 WeakPolarHBondContact CE-O 3.31Å
362	P	93.5	Very high	96.8	Very high	117 Å²	117	63.2 Å²	63.2	76%	0.76	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-71.5	150.2	-177.5	30.4	-34.6	0	0	0	111.4	M70	M70-P362 VanDerWaalsContact CE-O 3.31Å; M70-P362 WeakPolarHBondContact CE-O 3.47Å
363	M	97	Very high	96.7	Very high	36 Å²	36	64.3 Å²	64.3	18%	0.177	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.3	129.5	166.2	177.7	56.7	54.8	0	0	109	K67 M70 T71 P341 L345 R349	K67-M363 HydrophobicContact CB-SD 4.03Å; K67-M363 HydrophobicContact CG-SD 4.06Å; M70-M363 HydrophobicContact CB-CE 3.82Å; M70-M363 HydrophobicContact CB-SD 4.32Å; T71-M363 WeakPolarHBondContact OG1-CE 3.48Å; P341-M363 HydrophobicContact CB-CG 3.98Å; P341-M363 HydrophobicContact CG-CG 3.78Å; P341-M363 HydrophobicContact CG-SD 4.31Å; L345-M363 HydrophobicContact CD1-SD 4.5Å; L345-M363 HydrophobicContact CD2-CE 3.6Å; L345-M363 HydrophobicContact CD2-CG 4.44Å; L345-M363 HydrophobicContact CD2-SD 4.2Å; R349-M363 VanDerWaalsContact NH1-CE 3.3Å
364	P	97.1	Very high	96.7	Very high	26 Å²	26	65.5 Å²	65.5	17%	0.169	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-54	137	172.6	-25.1	31.4	0	0	0	110.9	V66 K67 M70 P341	V66-P364 HydrophobicContact CG1-CG 3.82Å; K67-P364 HydrophobicContact CG-CB 3.83Å; K67-P364 HydrophobicContact CG-CG 3.98Å; M70-P364 HydrophobicContact CG-CG 4.36Å; P341-P364 WeakPolarHBondContact CG-O 3.19Å
365	P	97.5	Very high	96.7	Very high	103 Å²	103	60 Å²	60	67%	0.669	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-71.4	169.1	-173.6	30.8	-36.1	0	0	0	112.4	K67	K67-P365 WeakPolarHBondContact CE-O 3.25Å; K67-P365 PolarHBondContact NZ-O 3.45Å
366	A	97.9	Very high	96.6	Very high	48 Å²	48	61.1 Å²	61.1	40%	0.397	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-54.2	146.1	162.4	0	0	0	0	0	110.7	D340	D340-A366 HydrophobicContact CB-CB 3.94Å; D340-A366 WeakPolarHBondContact OD1-CA 3.2Å; D340-A366 WeakPolarHBondContact OD1-CB 3.37Å
367	T	97.4	Very high	96.6	Very high	17 Å²	17	57.5 Å²	57.5	10%	0.104	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-65.8	146	171.9	56.8	0	0	0	0	109.4	Y60 K369 D557	Y60-T367 HydrophobicContact CE1-CG2 4.1Å; T367-K369 PolarHBondContact O-N 2.97Å; T367-K369 PolarHBondContact O-NZ 3.05Å; T367-K369 PolarHBondContact OG1-NZ 3.43Å; T367-D557 PolarHBondContact OG1-OD2 2.75Å
368	P	97.8	Very high	96.5	Very high	67 Å²	67	55.2 Å²	55.2	44%	0.435	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-62	135.4	176.8	27.6	-34.7	0	0	0	109.9	W556 D557	P368-W556 HydrophobicContact CB-CD2 3.66Å; P368-W556 HydrophobicContact CB-CE3 3.86Å; P368-W556 HydrophobicContact CB-CG 3.96Å; P368-W556 HydrophobicContact CB-CZ2 4.45Å; P368-W556 HydrophobicContact CB-CZ3 4.36Å; P368-W556 HydrophobicContact CG-CB 4.49Å; P368-W556 HydrophobicContact CG-CD2 3.98Å; P368-W556 HydrophobicContact CG-CG 3.85Å; P368-D557 PolarHBondContact O-N 2.88Å
369	K	98.6	Very high	96.4	Very high	36 Å²	36	56.5 Å²	56.5	16%	0.157	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-111.6	144.6	176.2	-52.3	-54.3	-168.1	-72.1	0	110	D340 T367 D557 F559 D623	D340-K369 IonicContact OD1-NZ 3.04Å; D340-K369 PolarHBondContact OD1-NZ 3.43Å; D340-K369 IonicContact OD2-NZ 3.32Å; D340-K369 PolarHBondContact OD2-NZ 3.45Å; T367-K369 PolarHBondContact O-N 2.97Å; T367-K369 PolarHBondContact O-NZ 3.05Å; T367-K369 PolarHBondContact OG1-NZ 3.43Å; K369-D557 CarbonylContact C-O 3.59Å; K369-D557 WeakPolarHBondContact CA-O 3.34Å; K369-D557 HydrophobicContact CD-CB 3.31Å; K369-F559 HydrophobicContact CD-CE2 3.96Å; K369-F559 HydrophobicContact CD-CZ 4.42Å; K369-F559 HydrophobicContact CG-CE2 4.13Å; K369-D623 HydrophobicContact CB-CB 4.13Å; K369-D623 VanDerWaalsContact CB-O 3.23Å; K369-D623 WeakPolarHBondContact CB-O 3.43Å
370	F	98.4	Very high	96.3	Very high	69 Å²	69	56.8 Å²	56.8	30%	0.303	35%	0.35	S	S	.	.			trans	-132.2	139	178	-163.4	-101.2	0	0	0	112.3	Y372 N552 L554 W556 D557 T558	F370-Y372 HydrophobicContact CB-CD2 4.3Å; F370-Y372 HydrophobicContact CB-CE2 3.86Å; F370-Y372 AromaticContact CD1-CD1 3.67Å; F370-Y372 HydrophobicContact CD1-CD1 3.67Å; F370-Y372 AromaticContact CD1-CD2 3.9Å; F370-Y372 HydrophobicContact CD1-CD2 3.9Å; F370-Y372 AromaticContact CD1-CE1 3.82Å; F370-Y372 HydrophobicContact CD1-CE1 3.82Å; F370-Y372 HydrophobicContact CD1-CE2 4.04Å; F370-Y372 AromaticContact CD1-CG 3.71Å; F370-Y372 HydrophobicContact CD1-CG 3.71Å; F370-Y372 AromaticContact CD1-CZ 4Å; F370-Y372 HydrophobicContact CE1-CD1 4.1Å; F370-Y372 HydrophobicContact CE1-CE1 4.46Å; F370-Y372 HydrophobicContact CE1-CG 4.33Å; F370-Y372 HydrophobicContact CG-CE2 4.44Å; F370-Y372 PolarHBondContact O-N 2.9Å; F370-N552 VanDerWaalsContact CE1-ND2 3.33Å; F370-N552 WeakPolarHBondContact CE1-ND2 3.29Å; F370-L554 HydrophobicContact CD1-CD1 4.39Å; F370-L554 HydrophobicContact CD2-CD1 3.84Å; F370-L554 HydrophobicContact CE1-CD1 4.43Å; F370-L554 HydrophobicContact CE2-CD1 3.88Å; F370-L554 HydrophobicContact CG-CD1 4.11Å; F370-L554 HydrophobicContact CZ-CD1 4.18Å; F370-W556 HydrophobicContact CB-CB 4.09Å; F370-W556 HydrophobicContact CB-CE3 4.05Å; F370-W556 HydrophobicContact CD2-CE3 4.07Å; F370-W556 HydrophobicContact CD2-CZ3 4.24Å; F370-W556 HydrophobicContact CG-CE3 4.46Å; F370-D557 PolarHBondContact N-O 2.71Å; F370-T558 VanDerWaalsContact O-CB 3.24Å; F370-T558 WeakPolarHBondContact O-CB 3.45Å; F370-T558 PolarHBondContact O-OG1 3.23Å
371	A	98.4	Very high	96.2	Very high	48 Å²	48	52.5 Å²	52.5	40%	0.397	32%	0.315	S	S	.	.			trans	-91.4	91.6	171.9	0	0	0	0	0	109.4	G373 F621 D623	A371-G373 PolarHBondContact O-N 2.83Å; A371-F621 CarbonylContact C-O 3.37Å; A371-F621 WeakPolarHBondContact CA-O 3.49Å; A371-D623 HydrophobicContact CB-CB 4.15Å
372	Y	98.3	Very high	96.1	Very high	29 Å²	29	52.3 Å²	52.3	11%	0.114	30%	0.302	C	S	.	.			trans	-69	-10.4	179.4	-62.5	-93.9	0	0	0	113.4	F370 L549 N552 L554 W556 T558 L597 F621	F370-Y372 HydrophobicContact CB-CD2 4.3Å; F370-Y372 HydrophobicContact CB-CE2 3.86Å; F370-Y372 AromaticContact CD1-CD1 3.67Å; F370-Y372 HydrophobicContact CD1-CD1 3.67Å; F370-Y372 AromaticContact CD1-CD2 3.9Å; F370-Y372 HydrophobicContact CD1-CD2 3.9Å; F370-Y372 AromaticContact CD1-CE1 3.82Å; F370-Y372 HydrophobicContact CD1-CE1 3.82Å; F370-Y372 HydrophobicContact CD1-CE2 4.04Å; F370-Y372 AromaticContact CD1-CG 3.71Å; F370-Y372 HydrophobicContact CD1-CG 3.71Å; F370-Y372 AromaticContact CD1-CZ 4Å; F370-Y372 HydrophobicContact CE1-CD1 4.1Å; F370-Y372 HydrophobicContact CE1-CE1 4.46Å; F370-Y372 HydrophobicContact CE1-CG 4.33Å; F370-Y372 HydrophobicContact CG-CE2 4.44Å; F370-Y372 PolarHBondContact O-N 2.9Å; Y372-L549 HydrophobicContact CD1-CD2 4.12Å; Y372-L549 HydrophobicContact CG-CD1 4.5Å; Y372-L549 HydrophobicContact CG-CD2 3.99Å; Y372-N552 WeakPolarHBondContact CD1-ND2 3.46Å; Y372-N552 WeakPolarHBondContact CE1-OD1 3.38Å; Y372-L554 HydrophobicContact CE1-CB 4.33Å; Y372-W556 PolarHBondContact OH-N 3.43Å; Y372-W556 PolarHBondContact OH-O 3.2Å; Y372-T558 HydrophobicContact CD2-CG2 3.82Å; Y372-T558 HydrophobicContact CE2-CG2 3.82Å; Y372-L597 HydrophobicContact CD2-CD1 4.47Å; Y372-L597 HydrophobicContact CE2-CD1 3.71Å; Y372-F621 HydrophobicContact CD2-CB 4.29Å; Y372-F621 PolarHBondContact N-O 2.99Å
373	G	97.6	Very high	96.1	Very high	23 Å²	23	47 Å²	47	24%	0.237	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-156.8	173.8	0	0	0	0	0	113.2	A371 V620 F621	A371-G373 PolarHBondContact O-N 2.83Å; G373-V620 WeakPolarHBondContact O-CA 3.5Å; G373-F621 PolarHBondContact N-O 3.05Å; G373-F621 VanDerWaalsContact N-O 3.09Å; G373-F621 PolarHBondContact O-N 2.77Å
374	F	97.8	Very high	95.7	Very high	120 Å²	120	47 Å²	47	53%	0.526	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.1	-171.7	-71.6	-81.9	0	0	0	112.6	I563 R618 I619 V620	F374-I563 HydrophobicContact CE1-CD1 4.24Å; F374-R618 HydrophobicContact CD1-CB 4.16Å; F374-I619 WeakPolarHBondContact CA-O 3.39Å; F374-V620 HydrophobicContact CD1-CB 3.8Å; F374-V620 HydrophobicContact CD1-CG2 4.12Å; F374-V620 HydrophobicContact CD2-CG2 4.4Å; F374-V620 HydrophobicContact CE1-CB 3.79Å; F374-V620 HydrophobicContact CE1-CG1 4.44Å; F374-V620 HydrophobicContact CE1-CG2 4.09Å; F374-V620 HydrophobicContact CE2-CG2 4.36Å; F374-V620 HydrophobicContact CG-CB 4.4Å; F374-V620 HydrophobicContact CG-CG2 4.29Å; F374-V620 HydrophobicContact CZ-CB 4.36Å; F374-V620 HydrophobicContact CZ-CG2 4.2Å
375	V	97.9	Very high	95.4	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.055	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	164.5	-178.3	0	0	0	0	108.7	L377 L549 I605 R618 I619 F621	V375-L377 HydrophobicContact CG1-CD2 4.17Å; V375-L549 HydrophobicContact CG2-CB 3.97Å; V375-L549 HydrophobicContact CG2-CD1 3.95Å; V375-I605 HydrophobicContact CB-CD1 4.3Å; V375-I605 HydrophobicContact CG1-CD1 4.09Å; V375-I605 HydrophobicContact CG2-CD1 4.2Å; V375-R618 WeakPolarHBondContact O-CA 3.41Å; V375-I619 HydrophobicContact CB-CD1 4.45Å; V375-I619 HydrophobicContact CB-CG1 4.04Å; V375-I619 PolarHBondContact N-O 2.98Å; V375-I619 PolarHBondContact O-N 3.26Å; V375-F621 HydrophobicContact CG2-CD2 4.05Å; V375-F621 HydrophobicContact CG2-CE2 3.77Å
376	T	96.4	Very high	95.2	Very high	93 Å²	93	45.4 Å²	45.4	57%	0.571	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.9	172.3	-55.3	0	0	0	0	109.1	R618	T376-R618 HydrophobicContact CG2-CG 4.5Å
377	L	95.9	Very high	95.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	25%	0.245	C	C	.	.			trans	-105.6	153.7	178	-51.1	-172.8	0	0	0	111	V375 T546 W565 L607 L617 I619	V375-L377 HydrophobicContact CG1-CD2 4.17Å; L377-T546 CarbonylContact C-O 3.59Å; L377-T546 VanDerWaalsContact CA-O 3.24Å; L377-T546 WeakPolarHBondContact CA-O 3.47Å; L377-W565 HydrophobicContact CD1-CH2 3.99Å; L377-W565 HydrophobicContact CD1-CZ2 3.77Å; L377-W565 HydrophobicContact CG-CZ2 4.47Å; L377-L607 HydrophobicContact CD1-CB 4.02Å; L377-L607 HydrophobicContact CD1-CD2 3.44Å; L377-L607 VanDerWaalsContact CD1-CD2 3.44Å; L377-L607 HydrophobicContact CD1-CG 4.36Å; L377-L617 PolarHBondContact N-O 3.14Å; L377-I619 HydrophobicContact CD1-CD1 4.24Å; L377-I619 HydrophobicContact CD1-CG2 3.94Å; L377-I619 HydrophobicContact CD2-CD1 3.85Å; L377-I619 HydrophobicContact CD2-CG1 4.27Å; L377-I619 HydrophobicContact CG-CD1 4.38Å; L377-I619 HydrophobicContact CG-CG1 4.48Å
378	E	93.6	Very high	94.8	Very high	108 Å²	108	50.2 Å²	50.2	51%	0.505	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.2	177.1	-60	-171.7	163.6	0	0	109.9	Y545 T546	E378-Y545 CarbonylContact O-C 3.47Å; E378-Y545 WeakPolarHBondContact O-CA 3.24Å; E378-T546 PolarHBondContact N-O 2.88Å; E378-T546 PolarHBondContact O-N 3.22Å
379	K	93.3	Very high	94.7	Very high	63 Å²	63	49.3 Å²	49.3	27%	0.274	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.3	177.2	-176.1	176.3	177.4	179.8	0	110.3	T543 Y545	K379-T543 HydrophobicContact CD-CG2 4.12Å; K379-T543 HydrophobicContact CG-CG2 3.71Å; K379-Y545 HydrophobicContact CB-CD1 3.99Å; K379-Y545 HydrophobicContact CB-CE1 3.66Å; K379-Y545 HydrophobicContact CG-CE1 4.03Å
380	I	92.3	Very high	94.6	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.138	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-56.8	175.9	-61.8	166.3	0	0	0	110.5	L386 W522 P523 F544 T546	I380-L386 HydrophobicContact CG2-CD1 4.21Å; I380-L386 HydrophobicContact CG2-CD2 4.16Å; I380-W522 HydrophobicContact CG2-CZ2 4.14Å; I380-P523 HydrophobicContact CD1-CB 3.43Å; I380-P523 VanDerWaalsContact CD1-CB 3.43Å; I380-P523 HydrophobicContact CD1-CG 3.41Å; I380-P523 VanDerWaalsContact CD1-CG 3.41Å; I380-P523 HydrophobicContact CG1-CB 4.39Å; I380-F544 HydrophobicContact CB-CB 4.16Å; I380-F544 WeakPolarHBondContact CB-O 3.38Å; I380-F544 HydrophobicContact CD1-CB 4.2Å; I380-F544 PolarHBondContact N-O 3.2Å; I380-T546 HydrophobicContact CD1-CG2 3.62Å; I380-T546 HydrophobicContact CG1-CG2 3.68Å
381	G	90.5	Very high	94.5	Very high	9 Å²	9	44.6 Å²	44.6	9%	0.093	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	164.1	-172.4	0	0	0	0	0	112.4	F544	G381-F544 PolarHBondContact O-N 3.33Å
382	N	91.2	Very high	94.3	Very high	47 Å²	47	46 Å²	46	25%	0.251	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	167.4	172.6	66.2	19.3	0	0	0	110.7	S384 S385 L386 P542	N382-S384 VanDerWaalsContact C-N 3.3Å; N382-S384 PolarHBondContact O-N 2.98Å; N382-S384 PolarHBondContact OD1-N 2.93Å; N382-S385 PolarHBondContact N-OG 2.78Å; N382-S385 PolarHBondContact O-N 3.16Å; N382-S385 PolarHBondContact O-OG 3.48Å; N382-S385 VanDerWaalsContact OD1-CB 3.27Å; N382-S385 WeakPolarHBondContact OD1-CB 3.32Å; N382-S385 PolarHBondContact OD1-N 2.72Å; N382-S385 PolarHBondContact OD1-OG 3.09Å; N382-L386 WeakPolarHBondContact O-CG 3.36Å; N382-L386 PolarHBondContact O-N 2.81Å; N382-P542 WeakPolarHBondContact CA-O 3.24Å
383	I	92.9	Very high	94.1	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-49.3	179.9	-60.5	-54	0	0	0	111.8	S385 L386 L387 I390 L415 L474 L512 P542 F544 L608	I383-S385 VanDerWaalsContact C-N 3.29Å; I383-S385 PolarHBondContact O-N 3.41Å; I383-L386 PolarHBondContact O-N 2.79Å; I383-L387 HydrophobicContact CG2-CD2 4.31Å; I383-L387 PolarHBondContact O-N 2.73Å; I383-I390 HydrophobicContact CD1-CD1 4.22Å; I383-I390 HydrophobicContact CG2-CD1 4.27Å; I383-L415 HydrophobicContact CG2-CB 4.48Å; I383-L415 HydrophobicContact CG2-CD2 4.19Å; I383-L474 HydrophobicContact CD1-CD2 4.4Å; I383-L474 HydrophobicContact CG1-CD1 4.25Å; I383-L474 HydrophobicContact CG1-CD2 3.92Å; I383-L474 HydrophobicContact CG2-CD1 4.29Å; I383-L512 HydrophobicContact CG2-CD1 4.21Å; I383-P542 HydrophobicContact CG1-CB 3.81Å; I383-F544 HydrophobicContact CD1-CD2 4.17Å; I383-F544 HydrophobicContact CD1-CE2 3.53Å; I383-F544 HydrophobicContact CD1-CZ 4.33Å; I383-L608 HydrophobicContact CD1-CD1 4.03Å
384	S	88.9	Confident	94.1	Very high	34 Å²	34	52.6 Å²	52.6	24%	0.238	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.1	-36.5	-173.6	-46.1	0	0	0	0	112.7	N382 L386 D472	N382-S384 VanDerWaalsContact C-N 3.3Å; N382-S384 PolarHBondContact O-N 2.98Å; N382-S384 PolarHBondContact OD1-N 2.93Å; S384-L386 VanDerWaalsContact C-N 3.28Å; S384-L386 PolarHBondContact O-N 2.76Å; S384-D472 PolarHBondContact OG-OD2 3.34Å
385	S	90.1	Very high	94.1	Very high	77 Å²	77	49.1 Å²	49.1	54%	0.538	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.1	-15	176.6	64.8	0	0	0	0	114.6	N382 I383	N382-S385 PolarHBondContact N-OG 2.78Å; N382-S385 PolarHBondContact O-N 3.16Å; N382-S385 PolarHBondContact O-OG 3.48Å; N382-S385 VanDerWaalsContact OD1-CB 3.27Å; N382-S385 WeakPolarHBondContact OD1-CB 3.32Å; N382-S385 PolarHBondContact OD1-N 2.72Å; N382-S385 PolarHBondContact OD1-OG 3.09Å; I383-S385 VanDerWaalsContact C-N 3.29Å; I383-S385 PolarHBondContact O-N 3.41Å
386	L	94.1	Very high	94.1	Very high	19 Å²	19	52 Å²	52	10%	0.099	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-112.1	4.4	-171.1	-67	170.4	0	0	0	113.1	I380 N382 I383 S384 D388 T389 I390 W522 F544	I380-L386 HydrophobicContact CG2-CD1 4.21Å; I380-L386 HydrophobicContact CG2-CD2 4.16Å; N382-L386 WeakPolarHBondContact O-CG 3.36Å; N382-L386 PolarHBondContact O-N 2.81Å; I383-L386 PolarHBondContact O-N 2.79Å; S384-L386 VanDerWaalsContact C-N 3.28Å; S384-L386 PolarHBondContact O-N 2.76Å; L386-D388 VanDerWaalsContact C-N 3.26Å; L386-D388 PolarHBondContact O-N 2.92Å; L386-T389 WeakPolarHBondContact O-CA 3.15Å; L386-T389 WeakPolarHBondContact O-CB 3.35Å; L386-T389 PolarHBondContact O-N 3.43Å; L386-I390 HydrophobicContact CB-CD1 4.43Å; L386-I390 WeakPolarHBondContact O-CG1 3.25Å; L386-I390 PolarHBondContact O-N 2.9Å; L386-W522 HydrophobicContact CD1-CH2 4.3Å; L386-W522 HydrophobicContact CD1-CZ2 3.85Å; L386-W522 HydrophobicContact CD2-CZ2 4.22Å; L386-F544 HydrophobicContact CD1-CB 4.22Å; L386-F544 HydrophobicContact CD1-CD2 3.57Å; L386-F544 HydrophobicContact CD1-CE2 4.34Å; L386-F544 HydrophobicContact CD1-CG 4.27Å
387	L	94.7	Very high	94.2	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-55.3	-37.2	-175.6	-71.9	175.3	0	0	0	113.5	I383 T389 I390 S391 L415 Y510 L512	I383-L387 HydrophobicContact CG2-CD2 4.31Å; I383-L387 PolarHBondContact O-N 2.73Å; L387-T389 PolarHBondContact O-N 3.38Å; L387-T389 VanDerWaalsContact O-N 3.17Å; L387-I390 PolarHBondContact O-N 3.09Å; L387-S391 CarbonylContact O-C 3.51Å; L387-S391 VanDerWaalsContact O-C 3.26Å; L387-S391 VanDerWaalsContact O-CA 3.24Å; L387-S391 WeakPolarHBondContact O-CA 3.35Å; L387-S391 WeakPolarHBondContact O-CB 3.5Å; L387-S391 PolarHBondContact O-N 3.13Å; L387-L415 HydrophobicContact CD1-CD2 3.89Å; L387-L415 HydrophobicContact CD2-CD2 3.77Å; L387-L415 HydrophobicContact CG-CD2 4.33Å; L387-Y510 HydrophobicContact CD1-CD1 4.13Å; L387-Y510 HydrophobicContact CD1-CE1 3.88Å; L387-Y510 HydrophobicContact CD1-CE2 4.33Å; L387-Y510 HydrophobicContact CD1-CG 4.45Å; L387-Y510 HydrophobicContact CD2-CD1 4.04Å; L387-Y510 HydrophobicContact CD2-CG 4.13Å; L387-L512 HydrophobicContact CD2-CD2 3.95Å
388	D	93	Very high	94.3	Very high	154 Å²	154	56.1 Å²	56.1	82%	0.824	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-24.8	176.6	-65.5	-17.6	0	0	0	112.8	L386	L386-D388 VanDerWaalsContact C-N 3.26Å; L386-D388 PolarHBondContact O-N 2.92Å
389	T	94.6	Very high	94.6	Very high	48 Å²	48	56.9 Å²	56.9	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-90.7	-47.9	179.3	-58.8	0	0	0	0	112.1	L386 L387 A517 W522	L386-T389 WeakPolarHBondContact O-CA 3.15Å; L386-T389 WeakPolarHBondContact O-CB 3.35Å; L386-T389 PolarHBondContact O-N 3.43Å; L387-T389 PolarHBondContact O-N 3.38Å; L387-T389 VanDerWaalsContact O-N 3.17Å; T389-A517 HydrophobicContact CG2-CB 4.34Å; T389-W522 HydrophobicContact CG2-CB 4.29Å; T389-W522 HydrophobicContact CG2-CD2 3.9Å; T389-W522 HydrophobicContact CG2-CG 3.66Å
390	I	95.8	Very high	94.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-96.9	-5.9	-172.9	65.3	176.1	0	0	0	113.4	I383 L386 L387 L512 D513 I514 A517 W522 F544	I383-I390 HydrophobicContact CD1-CD1 4.22Å; I383-I390 HydrophobicContact CG2-CD1 4.27Å; L386-I390 HydrophobicContact CB-CD1 4.43Å; L386-I390 WeakPolarHBondContact O-CG1 3.25Å; L386-I390 PolarHBondContact O-N 2.9Å; L387-I390 PolarHBondContact O-N 3.09Å; I390-L512 HydrophobicContact CD1-CD1 4.4Å; I390-L512 HydrophobicContact CD1-CD2 4.18Å; I390-L512 HydrophobicContact CG1-CD2 4.2Å; I390-L512 CarbonylContact O-C 3.47Å; I390-L512 VanDerWaalsContact O-CA 3.29Å; I390-L512 WeakPolarHBondContact O-CA 3.37Å; I390-D513 PolarHBondContact O-N 3.28Å; I390-I514 HydrophobicContact CB-CG1 4.34Å; I390-I514 HydrophobicContact CG2-CG1 4.44Å; I390-A517 HydrophobicContact CG2-CB 4.18Å; I390-W522 HydrophobicContact CG2-CH2 4.25Å; I390-W522 HydrophobicContact CG2-CZ3 4.21Å; I390-F544 HydrophobicContact CD1-CE2 4.01Å
391	S	96.9	Very high	95.1	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.042	32%	0.324	C	S	.	.			trans	-139.3	61.2	175.9	-163.7	0	0	0	0	110	L387 L393 G394 P511	L387-S391 CarbonylContact O-C 3.51Å; L387-S391 VanDerWaalsContact O-C 3.26Å; L387-S391 VanDerWaalsContact O-CA 3.24Å; L387-S391 WeakPolarHBondContact O-CA 3.35Å; L387-S391 WeakPolarHBondContact O-CB 3.5Å; L387-S391 PolarHBondContact O-N 3.13Å; S391-L393 PolarHBondContact O-N 2.85Å; S391-L393 VanDerWaalsContact O-N 3.1Å; S391-G394 PolarHBondContact O-N 2.83Å; S391-P511 VanDerWaalsContact CB-O 3.29Å; S391-P511 WeakPolarHBondContact CB-O 3.29Å; S391-P511 PolarHBondContact OG-O 2.74Å
392	P	94.2	Very high	95.5	Very high	79 Å²	79	59.7 Å²	59.7	51%	0.513	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.9	-170.6	27.1	-36.3	0	0	0	113.8	G394	P392-G394 VanDerWaalsContact C-N 3.3Å
393	L	94.9	Very high	95.8	Very high	165 Å²	165	58 Å²	58	86%	0.864	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.1	176.4	-60.3	-179.6	0	0	0	113.1	S391	S391-L393 PolarHBondContact O-N 2.85Å; S391-L393 VanDerWaalsContact O-N 3.1Å
394	G	96.2	Very high	96.1	Very high	25 Å²	25	57.8 Å²	57.8	26%	0.258	32%	0.32	S	S	.	.			trans	72.8	-173.8	-175.8	0	0	0	0	0	113.6	S391 P392	S391-G394 PolarHBondContact O-N 2.83Å; P392-G394 VanDerWaalsContact C-N 3.3Å
395	P	98	Very high	96.5	Very high	47 Å²	47	56.1 Å²	56.1	31%	0.305	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-85.3	151.5	-174.6	32.6	-31.3	0	0	0	113	K508 I509 Y510	P395-K508 HydrophobicContact CB-CB 3.85Å; P395-K508 HydrophobicContact CB-CG 4.46Å; P395-K508 HydrophobicContact CG-CB 4.3Å; P395-K508 HydrophobicContact CG-CG 4.46Å; P395-I509 CarbonylContact C-O 3.45Å; P395-I509 VanDerWaalsContact CA-O 3.26Å; P395-I509 WeakPolarHBondContact CA-O 3.33Å; P395-Y510 HydrophobicContact CB-CD1 3.82Å; P395-Y510 HydrophobicContact CB-CD2 3.89Å; P395-Y510 HydrophobicContact CB-CE1 3.61Å; P395-Y510 HydrophobicContact CB-CE2 3.66Å; P395-Y510 HydrophobicContact CB-CG 3.96Å; P395-Y510 VanDerWaalsContact CD-CE1 3.42Å; P395-Y510 HydrophobicContact CG-CD1 4.29Å; P395-Y510 HydrophobicContact CG-CE1 3.63Å; P395-Y510 HydrophobicContact CG-CE2 4.16Å
396	V	98.6	Very high	96.9	Very high	68 Å²	68	57.8 Å²	57.8	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.6	157.9	178.4	0	0	0	0	108.6	L402 M407 I509	V396-L402 HydrophobicContact CG1-CD1 4.29Å; V396-M407 HydrophobicContact CB-CE 3.72Å; V396-M407 HydrophobicContact CB-SD 3.85Å; V396-M407 HydrophobicContact CG1-SD 4.21Å; V396-M407 HydrophobicContact CG2-CE 3.5Å; V396-M407 HydrophobicContact CG2-SD 3.97Å; V396-I509 PolarHBondContact N-O 3.07Å; V396-I509 PolarHBondContact O-N 2.95Å
397	Q	98.6	Very high	97	Very high	152 Å²	152	58 Å²	58	71%	0.71	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.5	174.7	-66	-177.4	34.5	0	0	110.2	W507 K508	Q397-W507 CarbonylContact C-O 3.58Å; Q397-W507 WeakPolarHBondContact CA-O 3.33Å; Q397-K508 HydrophobicContact CG-CG 4.27Å
398	S	98.6	Very high	97.1	Very high	32 Å²	32	64.1 Å²	64.1	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.1	176.2	-179.2	0	0	0	0	110.7	Y400 W507	S398-Y400 VanDerWaalsContact C-N 3.3Å; S398-Y400 WeakPolarHBondContact CB-O 3.26Å; S398-Y400 PolarHBondContact O-N 2.71Å; S398-Y400 PolarHBondContact OG-N 2.55Å; S398-Y400 PolarHBondContact OG-O 3.24Å; S398-W507 PolarHBondContact N-O 3.35Å; S398-W507 PolarHBondContact O-N 3.44Å
399	K	98.4	Very high	97.3	Very high	124 Å²	124	58 Å²	58	54%	0.539	30%	0.301	S	S	.	.	S	Bend	trans	-64.8	-36.8	176.6	-175.4	173.6	-179.6	177.9	0	112	T505 D506	K399-T505 HydrophobicContact CG-CG2 4.5Å; K399-T505 CarbonylContact O-C 3.53Å; K399-T505 VanDerWaalsContact O-CA 3.22Å; K399-T505 WeakPolarHBondContact O-CA 3.43Å; K399-T505 WeakPolarHBondContact O-CB 3.42Å; K399-D506 PolarHBondContact O-N 2.99Å
400	Y	98.6	Very high	97.5	Very high	103 Å²	103	56.9 Å²	56.9	40%	0.404	29%	0.291	S	S	.	.	S	Bend	trans	-123.5	160.1	178.5	-60.6	-65.2	0	0	0	109.9	S398 N496 V503 T505	S398-Y400 VanDerWaalsContact C-N 3.3Å; S398-Y400 WeakPolarHBondContact CB-O 3.26Å; S398-Y400 PolarHBondContact O-N 2.71Å; S398-Y400 PolarHBondContact OG-N 2.55Å; S398-Y400 PolarHBondContact OG-O 3.24Å; Y400-N496 WeakPolarHBondContact CD1-OD1 3.48Å; Y400-V503 HydrophobicContact CE1-CG1 4.41Å; Y400-T505 HydrophobicContact CD1-CG2 4.37Å; Y400-T505 HydrophobicContact CE1-CG2 3.89Å
401	P	98.4	Very high	97.6	Very high	17 Å²	17	58.8 Å²	58.8	11%	0.11	30%	0.299	C	S	.	.			trans	-58.7	146.4	178.4	-18.8	30.8	0	0	0	111.9	Y416 L493 N496 W507	P401-Y416 HydrophobicContact CB-CD1 4.19Å; P401-Y416 HydrophobicContact CB-CE1 4.05Å; P401-L493 HydrophobicContact CB-CB 3.58Å; P401-L493 HydrophobicContact CB-CD1 4.16Å; P401-L493 HydrophobicContact CB-CG 4.49Å; P401-L493 HydrophobicContact CG-CB 4.13Å; P401-L493 HydrophobicContact CG-CD1 4.17Å; P401-N496 VanDerWaalsContact CD-OD1 3.31Å; P401-N496 WeakPolarHBondContact CD-OD1 3.43Å; P401-W507 HydrophobicContact CG-CD2 4.29Å; P401-W507 HydrophobicContact CG-CG 4.42Å; P401-W507 HydrophobicContact CG-CZ2 4.16Å
402	L	98.6	Very high	97.7	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.199	30%	0.299	C	S	.	.			trans	-110.6	145.9	171.8	-60.1	176	0	0	0	109.2	V396 E406 M407 Y416 I509	V396-L402 HydrophobicContact CG1-CD1 4.29Å; L402-E406 HydrophobicContact CB-CB 4.16Å; L402-M407 HydrophobicContact CB-CG 4Å; L402-M407 HydrophobicContact CB-SD 4.24Å; L402-M407 HydrophobicContact CD1-SD 3.87Å; L402-Y416 WeakPolarHBondContact O-CE1 3.42Å; L402-Y416 VanDerWaalsContact O-CZ 3.29Å; L402-Y416 PolarHBondContact O-OH 2.74Å; L402-I509 HydrophobicContact CB-CD1 3.7Å; L402-I509 HydrophobicContact CD1-CD1 4.17Å; L402-I509 HydrophobicContact CG-CD1 3.82Å; L402-I509 VanDerWaalsContact N-CD1 3.33Å
403	T	98.6	Very high	97.9	Very high	13 Å²	13	55 Å²	55	8%	0.08	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-70.1	166.4	176.9	60.3	0	0	0	0	112.4	E405 E406 M407 Y490 K491 V494	T403-E405 PolarHBondContact O-N 2.75Å; T403-E406 WeakPolarHBondContact CB-OE2 3.19Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.45Å; T403-E406 PolarHBondContact N-OE2 3.31Å; T403-E406 PolarHBondContact O-N 3.49Å; T403-E406 VanDerWaalsContact OG1-CG 3.29Å; T403-E406 WeakPolarHBondContact OG1-CG 3.21Å; T403-E406 PolarHBondContact OG1-N 3.01Å; T403-E406 PolarHBondContact OG1-OE2 2.72Å; T403-M407 WeakPolarHBondContact O-CB 3.37Å; T403-M407 VanDerWaalsContact O-CG 3.31Å; T403-M407 WeakPolarHBondContact O-CG 3.33Å; T403-M407 PolarHBondContact O-N 2.94Å; T403-M407 VanDerWaalsContact O-N 3.1Å; T403-Y490 HydrophobicContact CG2-CD1 4.28Å; T403-K491 WeakPolarHBondContact CA-O 3.42Å; T403-V494 HydrophobicContact CG2-CB 4.48Å; T403-V494 HydrophobicContact CG2-CG1 4.03Å
404	F	98.6	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.8	172.7	-93.6	-127.4	0	0	0	111.6	M407 K408 Q409 M414 V475 N477 K491	F404-M407 CarbonylContact O-C 3.53Å; F404-M407 PolarHBondContact O-N 3.33Å; F404-K408 PolarHBondContact O-N 3.42Å; F404-Q409 CarbonylContact C-O 3.53Å; F404-Q409 WeakPolarHBondContact CB-O 3.36Å; F404-Q409 WeakPolarHBondContact CD1-O 3.29Å; F404-Q409 WeakPolarHBondContact CG-O 3.24Å; F404-Q409 CarbonylContact O-C 3.53Å; F404-Q409 PolarHBondContact O-N 2.76Å; F404-M414 HydrophobicContact CB-CE 4.35Å; F404-M414 HydrophobicContact CD1-CE 4.31Å; F404-M414 HydrophobicContact CD2-CB 4.07Å; F404-M414 HydrophobicContact CD2-CE 3.78Å; F404-M414 HydrophobicContact CD2-SD 4.01Å; F404-M414 HydrophobicContact CE1-CB 4.39Å; F404-M414 HydrophobicContact CE2-CB 3.35Å; F404-M414 HydrophobicContact CE2-CE 4.16Å; F404-M414 HydrophobicContact CE2-CG 4.35Å; F404-M414 HydrophobicContact CE2-SD 4.23Å; F404-M414 HydrophobicContact CG-CE 3.89Å; F404-M414 HydrophobicContact CZ-CB 3.54Å; F404-V475 HydrophobicContact CE2-CB 4.41Å; F404-V475 HydrophobicContact CE2-CG1 4.44Å; F404-N477 HydrophobicContact CD1-CB 4.13Å; F404-N477 HydrophobicContact CE1-CB 3.69Å; F404-N477 HydrophobicContact CZ-CB 4.23Å; F404-K491 HydrophobicContact CB-CB 3.89Å; F404-K491 HydrophobicContact CD1-CB 4.21Å; F404-K491 HydrophobicContact CD2-CB 4.13Å; F404-K491 WeakPolarHBondContact CD2-O 3.44Å; F404-K491 HydrophobicContact CG-CB 3.82Å; F404-K491 PolarHBondContact N-O 3.47Å
405	E	97.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-40.4	-176.6	-60.7	88.3	176.9	0	0	112.4	L136 Q137 T403 M407 K408 R480 Y490 K491	L136-E405 HydrophobicContact CB-CB 4.33Å; L136-E405 HydrophobicContact CB-CG 3.96Å; L136-E405 HydrophobicContact CD1-CG 4.29Å; Q137-E405 HydrophobicContact CG-CB 4.48Å; Q137-E405 WeakPolarHBondContact CG-O 3.41Å; T403-E405 PolarHBondContact O-N 2.75Å; E405-M407 PolarHBondContact O-N 2.85Å; E405-K408 PolarHBondContact O-N 3.04Å; E405-R480 IonicContact OE1-CZ 3.72Å; E405-R480 VanDerWaalsContact OE1-CZ 3.24Å; E405-R480 IonicContact OE1-NE 3.36Å; E405-R480 PolarHBondContact OE1-NE 3.17Å; E405-R480 IonicContact OE1-NH2 3.63Å; E405-R480 PolarHBondContact OE1-NH2 3.38Å; E405-Y490 HydrophobicContact CB-CD1 4.36Å; E405-Y490 HydrophobicContact CG-CD1 4.43Å; E405-Y490 WeakPolarHBondContact OE1-CA 3.34Å; E405-K491 PolarHBondContact OE1-N 2.85Å; E405-K491 PolarHBondContact OE2-N 3.18Å; E405-K491 VanDerWaalsContact OE2-N 3.16Å
406	E	97.4	Very high	98.2	Very high	112 Å²	112	43.8 Å²	43.8	52%	0.523	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.9	171.4	-73.7	168.7	117.3	0	0	112.2	L402 T403 K408	L402-E406 HydrophobicContact CB-CB 4.16Å; T403-E406 WeakPolarHBondContact CB-OE2 3.19Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.45Å; T403-E406 PolarHBondContact N-OE2 3.31Å; T403-E406 PolarHBondContact O-N 3.49Å; T403-E406 VanDerWaalsContact OG1-CG 3.29Å; T403-E406 WeakPolarHBondContact OG1-CG 3.21Å; T403-E406 PolarHBondContact OG1-N 3.01Å; T403-E406 PolarHBondContact OG1-OE2 2.72Å; E406-K408 VanDerWaalsContact C-N 3.29Å
407	M	97.4	Very high	98.2	Very high	22 Å²	22	42.7 Å²	42.7	11%	0.108	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.7	176.6	-69.3	-65.1	-58.5	0	0	113.6	V396 L402 T403 F404 E405 Q409 M414 I509 P511	V396-M407 HydrophobicContact CB-CE 3.72Å; V396-M407 HydrophobicContact CB-SD 3.85Å; V396-M407 HydrophobicContact CG1-SD 4.21Å; V396-M407 HydrophobicContact CG2-CE 3.5Å; V396-M407 HydrophobicContact CG2-SD 3.97Å; L402-M407 HydrophobicContact CB-CG 4Å; L402-M407 HydrophobicContact CB-SD 4.24Å; L402-M407 HydrophobicContact CD1-SD 3.87Å; T403-M407 WeakPolarHBondContact O-CB 3.37Å; T403-M407 VanDerWaalsContact O-CG 3.31Å; T403-M407 WeakPolarHBondContact O-CG 3.33Å; T403-M407 PolarHBondContact O-N 2.94Å; T403-M407 VanDerWaalsContact O-N 3.1Å; F404-M407 CarbonylContact O-C 3.53Å; F404-M407 PolarHBondContact O-N 3.33Å; E405-M407 PolarHBondContact O-N 2.85Å; M407-Q409 PolarHBondContact O-N 2.64Å; M407-M414 HydrophobicContact CB-CE 3.63Å; M407-M414 HydrophobicContact CB-SD 4.02Å; M407-M414 HydrophobicContact CG-CE 4.16Å; M407-M414 HydrophobicContact CG-SD 3.85Å; M407-I509 HydrophobicContact CE-CB 4.13Å; M407-I509 HydrophobicContact CE-CG2 3.91Å; M407-I509 HydrophobicContact CG-CG2 4.05Å; M407-I509 HydrophobicContact SD-CB 4.25Å; M407-I509 HydrophobicContact SD-CG2 4.06Å; M407-P511 HydrophobicContact CE-CG 4.2Å
408	K	96.4	Very high	98.2	Very high	142 Å²	142	35.9 Å²	35.9	62%	0.617	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	30.5	-178.7	-53.5	-175.4	-179.9	-176.2	0	114.2	F404 E405 E406	F404-K408 PolarHBondContact O-N 3.42Å; E405-K408 PolarHBondContact O-N 3.04Å; E406-K408 VanDerWaalsContact C-N 3.29Å
409	Q	97.1	Very high	98.2	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.117	18%	0.175	C	C	.	.			trans	-116.4	112.7	169.7	-178.3	-173.7	-37.7	0	0	108.8	F404 M407 Y411 Y413 M414 P511	F404-Q409 CarbonylContact C-O 3.53Å; F404-Q409 WeakPolarHBondContact CB-O 3.36Å; F404-Q409 WeakPolarHBondContact CD1-O 3.29Å; F404-Q409 WeakPolarHBondContact CG-O 3.24Å; F404-Q409 CarbonylContact O-C 3.53Å; F404-Q409 PolarHBondContact O-N 2.76Å; M407-Q409 PolarHBondContact O-N 2.64Å; Q409-Y411 PolarHBondContact NE2-O 2.77Å; Q409-Y413 PolarHBondContact NE2-O 2.77Å; Q409-M414 HydrophobicContact CB-CE 3.77Å; Q409-M414 HydrophobicContact CG-CE 4.41Å; Q409-P511 HydrophobicContact CB-CB 4.35Å; Q409-P511 VanDerWaalsContact OE1-C 3.26Å
410	Y	97.8	Very high	98.2	Very high	24 Å²	24	32 Å²	32	9%	0.094	15%	0.15	C	C	.	.			trans	-90	-26.1	-170.1	-51	-56.5	0	0	0	113.8	A133 W134 Q137 N477 R480	A133-Y410 HydrophobicContact CB-CD1 3.63Å; A133-Y410 HydrophobicContact CB-CG 3.86Å; W134-Y410 HydrophobicContact CB-CE1 3.88Å; W134-Y410 HydrophobicContact CB-CE2 4.33Å; W134-Y410 WeakPolarHBondContact CB-OH 3.48Å; Q137-Y410 PolarHBondContact NE2-OH 3.2Å; Y410-N477 PolarHBondContact O-ND2 2.97Å; Y410-R480 PolarHBondContact O-NH1 3.22Å; Y410-R480 PolarHBondContact O-NH2 3.47Å
411	Y	98.5	Very high	98.1	Very high	40 Å²	40	28.8 Å²	28.8	16%	0.157	14%	0.142	C	C	.	.	S	Bend	trans	-131	171.6	-170.7	-45.4	-61.9	0	0	0	112.1	E127 W313 Q409	E127-Y411 HydrophobicContact CG-CD1 4.17Å; E127-Y411 HydrophobicContact CG-CE1 3.52Å; W313-Y411 HydrophobicContact CH2-CE2 4.08Å; W313-Y411 HydrophobicContact CZ3-CE1 4.31Å; W313-Y411 HydrophobicContact CZ3-CE2 4.28Å; W313-Y411 AromaticContact CZ3-CZ 3.79Å; Q409-Y411 PolarHBondContact NE2-O 2.77Å
412	G	98.4	Very high	97.9	Very high	4 Å²	4	32.3 Å²	32.3	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	72.9	-127	175.6	0	0	0	0	0	113.4	N477	G412-N477 PolarHBondContact O-N 3.48Å
413	Y	98.8	Very high	97.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.8	-164.4	-53.6	-91.8	0	0	0	112.4	Y312 Q409 L474 V475 E476 L512 I514 Q569 L608 L610	Y312-Y413 HydrophobicContact CE1-CE2 4.22Å; Q409-Y413 PolarHBondContact NE2-O 2.77Å; Y413-L474 HydrophobicContact CD1-CD2 4.36Å; Y413-L474 HydrophobicContact CD1-CG 4.48Å; Y413-V475 CarbonylContact C-O 3.54Å; Y413-V475 VanDerWaalsContact CA-O 3.27Å; Y413-V475 WeakPolarHBondContact CA-O 3.49Å; Y413-E476 HydrophobicContact CD1-CB 3.72Å; Y413-E476 HydrophobicContact CD1-CG 3.96Å; Y413-E476 HydrophobicContact CE1-CB 3.66Å; Y413-E476 HydrophobicContact CE1-CG 3.49Å; Y413-E476 VanDerWaalsContact CE1-CG 3.49Å; Y413-L512 WeakPolarHBondContact O-CB 3.29Å; Y413-L512 WeakPolarHBondContact O-CG 3.36Å; Y413-I514 HydrophobicContact CD2-CD1 3.8Å; Y413-Q569 PolarHBondContact OH-OE1 2.87Å; Y413-L608 HydrophobicContact CD2-CD2 3.99Å; Y413-L608 HydrophobicContact CE1-CD2 4.42Å; Y413-L608 HydrophobicContact CE2-CD2 3.68Å; Y413-L608 HydrophobicContact CG-CD2 4.49Å; Y413-L610 HydrophobicContact CD1-CD2 4.35Å; Y413-L610 HydrophobicContact CE1-CD1 3.72Å; Y413-L610 HydrophobicContact CE1-CD2 3.77Å; Y413-L610 HydrophobicContact CE1-CG 4.41Å
414	M	98.7	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.8	176.3	-170.9	168.8	-62.3	0	0	110.2	F404 M407 Q409 Y416 V475 I509	F404-M414 HydrophobicContact CB-CE 4.35Å; F404-M414 HydrophobicContact CD1-CE 4.31Å; F404-M414 HydrophobicContact CD2-CB 4.07Å; F404-M414 HydrophobicContact CD2-CE 3.78Å; F404-M414 HydrophobicContact CD2-SD 4.01Å; F404-M414 HydrophobicContact CE1-CB 4.39Å; F404-M414 HydrophobicContact CE2-CB 3.35Å; F404-M414 HydrophobicContact CE2-CE 4.16Å; F404-M414 HydrophobicContact CE2-CG 4.35Å; F404-M414 HydrophobicContact CE2-SD 4.23Å; F404-M414 HydrophobicContact CG-CE 3.89Å; F404-M414 HydrophobicContact CZ-CB 3.54Å; M407-M414 HydrophobicContact CB-CE 3.63Å; M407-M414 HydrophobicContact CB-SD 4.02Å; M407-M414 HydrophobicContact CG-CE 4.16Å; M407-M414 HydrophobicContact CG-SD 3.85Å; Q409-M414 HydrophobicContact CB-CE 3.77Å; Q409-M414 HydrophobicContact CG-CE 4.41Å; M414-Y416 HydrophobicContact CB-CE2 3.93Å; M414-Y416 HydrophobicContact CG-CD2 4.34Å; M414-Y416 HydrophobicContact CG-CE2 3.8Å; M414-Y416 HydrophobicContact SD-CE1 4.49Å; M414-Y416 HydrophobicContact SD-CE2 4.01Å; M414-Y416 PolarHBondContact SD-OH 3.26Å; M414-V475 PolarHBondContact N-O 3.48Å; M414-V475 PolarHBondContact O-N 3.15Å; M414-I509 HydrophobicContact CG-CG2 3.84Å; M414-I509 HydrophobicContact SD-CG2 3.52Å; M414-I509 VanDerWaalsContact SD-CG2 3.52Å
415	L	98.8	Very high	97.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.9	176.9	175.6	74.3	0	0	0	110.3	I383 L387 D472 L474 I509 Y510 L512	I383-L415 HydrophobicContact CG2-CB 4.48Å; I383-L415 HydrophobicContact CG2-CD2 4.19Å; L387-L415 HydrophobicContact CD1-CD2 3.89Å; L387-L415 HydrophobicContact CD2-CD2 3.77Å; L387-L415 HydrophobicContact CG-CD2 4.33Å; L415-D472 HydrophobicContact CD1-CB 3.85Å; L415-L474 HydrophobicContact CB-CD1 4.4Å; L415-L474 HydrophobicContact CD1-CB 4.41Å; L415-I509 WeakPolarHBondContact O-CA 3.29Å; L415-Y510 HydrophobicContact CD2-CD2 4.07Å; L415-Y510 HydrophobicContact CG-CD2 4.4Å; L415-Y510 PolarHBondContact N-O 3.19Å; L415-Y510 VanDerWaalsContact N-O 3.08Å; L415-Y510 PolarHBondContact O-N 2.88Å; L415-L512 HydrophobicContact CB-CD1 4.47Å; L415-L512 HydrophobicContact CB-CD2 4.42Å
416	Y	98.9	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120	171.5	-64	-101.6	0	0	0	108.9	P401 L402 M414 I473 V475 G492 L493 I509	P401-Y416 HydrophobicContact CB-CD1 4.19Å; P401-Y416 HydrophobicContact CB-CE1 4.05Å; L402-Y416 WeakPolarHBondContact O-CE1 3.42Å; L402-Y416 VanDerWaalsContact O-CZ 3.29Å; L402-Y416 PolarHBondContact O-OH 2.74Å; M414-Y416 HydrophobicContact CB-CE2 3.93Å; M414-Y416 HydrophobicContact CG-CD2 4.34Å; M414-Y416 HydrophobicContact CG-CE2 3.8Å; M414-Y416 HydrophobicContact SD-CE1 4.49Å; M414-Y416 HydrophobicContact SD-CE2 4.01Å; M414-Y416 PolarHBondContact SD-OH 3.26Å; Y416-I473 PolarHBondContact N-O 3.44Å; Y416-I473 PolarHBondContact O-N 3.2Å; Y416-V475 HydrophobicContact CD2-CB 4.32Å; Y416-V475 HydrophobicContact CD2-CG2 3.66Å; Y416-V475 HydrophobicContact CE2-CB 4.03Å; Y416-V475 HydrophobicContact CE2-CG2 3.71Å; Y416-G492 WeakPolarHBondContact OH-CA 3.33Å; Y416-L493 HydrophobicContact CD1-CB 4.38Å; Y416-L493 HydrophobicContact CD1-CD1 3.74Å; Y416-L493 HydrophobicContact CD1-CG 4.09Å; Y416-L493 HydrophobicContact CD2-CD1 4.14Å; Y416-L493 HydrophobicContact CD2-CG 4.05Å; Y416-L493 HydrophobicContact CE1-CB 4.04Å; Y416-L493 HydrophobicContact CE1-CD1 4.25Å; Y416-L493 HydrophobicContact CE1-CG 4.13Å; Y416-L493 HydrophobicContact CE2-CG 4.09Å; Y416-L493 HydrophobicContact CG-CD1 3.68Å; Y416-L493 HydrophobicContact CG-CG 4.05Å; Y416-L493 PolarHBondContact OH-N 2.96Å; Y416-I509 HydrophobicContact CD1-CD1 4.14Å; Y416-I509 HydrophobicContact CD1-CG1 3.89Å; Y416-I509 HydrophobicContact CD1-CG2 3.98Å; Y416-I509 HydrophobicContact CE1-CD1 4.05Å; Y416-I509 HydrophobicContact CE1-CG1 4.21Å; Y416-I509 HydrophobicContact CE1-CG2 3.83Å
417	R	98.8	Very high	97	Very high	45 Å²	45	46.1 Å²	46.1	17%	0.17	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	-177.3	174.9	173.4	-69.8	173.7	-3	111.1	T470 L471 D472 W507 K508 Y510	R417-T470 HydrophobicContact CG-CG2 3.8Å; R417-L471 WeakPolarHBondContact CA-O 3.44Å; R417-D472 WeakPolarHBondContact CB-OD1 3.37Å; R417-D472 WeakPolarHBondContact CG-OD1 3.41Å; R417-D472 IonicContact CZ-OD1 3.25Å; R417-D472 IonicContact CZ-OD2 2.77Å; R417-D472 IonicContact NE-OD1 2.88Å; R417-D472 PolarHBondContact NE-OD1 3Å; R417-D472 IonicContact NE-OD2 2.77Å; R417-D472 IonicContact NH2-OD1 2.83Å; R417-D472 PolarHBondContact NH2-OD1 2.7Å; R417-D472 IonicContact NH2-OD2 3.26Å; R417-D472 PolarHBondContact NH2-OD2 2.82Å; R417-W507 CarbonylContact O-C 3.55Å; R417-W507 WeakPolarHBondContact O-CA 3.25Å; R417-K508 HydrophobicContact CB-CB 4.21Å; R417-K508 PolarHBondContact N-O 2.85Å; R417-K508 PolarHBondContact O-N 2.83Å; R417-Y510 HydrophobicContact CB-CE2 4.1Å
418	T	98.6	Very high	97	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	-170.8	166.5	-172.4	0	0	0	0	109.2	L471 L504 T505 W507	T418-L471 HydrophobicContact CG2-CB 4.23Å; T418-L471 HydrophobicContact CG2-CD2 4.04Å; T418-L471 HydrophobicContact CG2-CG 4.48Å; T418-L471 PolarHBondContact N-O 2.8Å; T418-L471 PolarHBondContact O-N 3.06Å; T418-L504 HydrophobicContact CG2-CD1 4.39Å; T418-L504 HydrophobicContact CG2-CD2 4.5Å; T418-T505 PolarHBondContact OG1-O 3.4Å; T418-W507 HydrophobicContact CG2-CE3 4.17Å; T418-W507 HydrophobicContact CG2-CH2 3.85Å; T418-W507 HydrophobicContact CG2-CZ2 4.23Å; T418-W507 HydrophobicContact CG2-CZ3 3.8Å
419	T	98.4	Very high	97.1	Very high	74 Å²	74	42 Å²	42	45%	0.454	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149	176	54.3	0	0	0	0	111.3	D469	T419-D469 CarbonylContact C-O 3.55Å; T419-D469 VanDerWaalsContact CA-O 3.25Å; T419-D469 WeakPolarHBondContact CA-O 3.19Å
420	L	97.9	Very high	97.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.221	C	C	.	.			trans	-64.2	127.3	174.5	-60.2	-174.2	0	0	0	110.3	H422 L424 V445 K466 G468 D469 L471 L499	L420-H422 VanDerWaalsContact C-N 3.33Å; L420-H422 PolarHBondContact O-N 3.16Å; L420-L424 HydrophobicContact CD1-CD1 3.84Å; L420-L424 HydrophobicContact CD1-CG 4.41Å; L420-L424 HydrophobicContact CD2-CD1 4.04Å; L420-L424 HydrophobicContact CG-CD1 4.42Å; L420-V445 HydrophobicContact CD1-CG1 4.19Å; L420-K466 WeakPolarHBondContact CB-O 3.45Å; L420-G468 PolarHBondContact O-N 2.64Å; L420-D469 HydrophobicContact CD1-CB 4Å; L420-D469 HydrophobicContact CG-CB 4.24Å; L420-D469 PolarHBondContact N-O 2.79Å; L420-L471 HydrophobicContact CD2-CB 4.02Å; L420-L471 HydrophobicContact CD2-CD1 4.5Å; L420-L471 HydrophobicContact CD2-CD2 4.13Å; L420-L471 HydrophobicContact CD2-CG 4.45Å; L420-L499 HydrophobicContact CD2-CD2 3.94Å
421	P	96	Very high	97.2	Very high	36 Å²	36	41.8 Å²	41.8	23%	0.234	23%	0.228	C	C	.	.	S	Bend	trans	-73	-25.3	-173.5	28.5	-35.1	0	0	0	113.1	Q467 L499 D502	P421-Q467 WeakPolarHBondContact O-CG 3.31Å; P421-Q467 PolarHBondContact O-NE2 3.35Å; P421-L499 HydrophobicContact CG-CD2 4.37Å; P421-D502 HydrophobicContact CG-CB 4.43Å
422	H	94.5	Very high	97.1	Very high	91 Å²	91	39.9 Å²	39.9	42%	0.421	22%	0.22	S	C	.	.	S	Bend	trans	-146.8	168.2	-175.7	-47.1	-60.6	0	0	0	110.6	L420 Q467 D502	L420-H422 VanDerWaalsContact C-N 3.33Å; L420-H422 PolarHBondContact O-N 3.16Å; H422-Q467 PolarHBondContact O-N 3.09Å; H422-D502 IonicContact CD2-OD2 3.76Å; H422-D502 PolarHBondContact CD2-OD2 3.42Å; H422-D502 IonicContact NE2-OD2 3.38Å; H422-D502 PolarHBondContact NE2-OD2 3.07Å
423	D	95.8	Very high	97	Very high	101 Å²	101	42.8 Å²	42.8	54%	0.54	24%	0.238	S	C	.	.			trans	-67.6	129.5	170.3	-71.8	-24.3	0	0	0	110.7	K466 Q467	D423-K466 WeakPolarHBondContact OD1-CA 3.37Å; D423-Q467 PolarHBondContact OD1-N 3.19Å
424	L	94.9	Very high	96.9	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	71.9	-180	-49.2	178.5	0	0	0	109.1	L420 E426 T428 G465 L499	L420-L424 HydrophobicContact CD1-CD1 3.84Å; L420-L424 HydrophobicContact CD1-CG 4.41Å; L420-L424 HydrophobicContact CD2-CD1 4.04Å; L420-L424 HydrophobicContact CG-CD1 4.42Å; L424-E426 PolarHBondContact O-N 3.08Å; L424-T428 HydrophobicContact CD2-CG2 4.13Å; L424-G465 CarbonylContact C-O 3.56Å; L424-G465 WeakPolarHBondContact CA-O 3.31Å; L424-G465 PolarHBondContact N-O 2.82Å; L424-G465 PolarHBondContact O-N 2.99Å; L424-L499 HydrophobicContact CD1-CD1 4.32Å; L424-L499 HydrophobicContact CD1-CD2 3.88Å; L424-L499 HydrophobicContact CD1-CG 4.43Å
425	T	90.4	Very high	96.9	Very high	123 Å²	123	51.1 Å²	51.1	76%	0.755	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	-28.1	179.8	54.8	0	0	0	0	112.5
426	E	93.7	Very high	96.8	Very high	137 Å²	137	51 Å²	51	64%	0.64	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.5	174.3	-64.7	-60.4	149.7	0	0	110.7	L424 T428	L424-E426 PolarHBondContact O-N 3.08Å; E426-T428 PolarHBondContact O-N 2.81Å; E426-T428 PolarHBondContact O-OG1 2.93Å
427	P	96.1	Very high	96.8	Very high	75 Å²	75	51.1 Å²	51.1	49%	0.487	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	111.8	174.9	-26.4	34.8	0	0	0	111.9	N462 T464	P427-N462 HydrophobicContact CB-CB 3.79Å; P427-T464 HydrophobicContact CB-CG2 4.35Å; P427-T464 HydrophobicContact CG-CG2 4.18Å
428	T	97.8	Very high	96.8	Very high	31 Å²	31	50.2 Å²	50.2	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.3	-174.6	-61.8	0	0	0	0	110.5	L424 E426 L430 N462 V463 L499	L424-T428 HydrophobicContact CD2-CG2 4.13Å; E426-T428 PolarHBondContact O-N 2.81Å; E426-T428 PolarHBondContact O-OG1 2.93Å; T428-L430 PolarHBondContact O-N 3.01Å; T428-N462 CarbonylContact O-C 3.55Å; T428-N462 WeakPolarHBondContact O-CA 3.47Å; T428-V463 PolarHBondContact N-O 3.28Å; T428-V463 PolarHBondContact O-N 3.1Å; T428-L499 HydrophobicContact CG2-CD1 4.04Å; T428-L499 HydrophobicContact CG2-CG 4.17Å
429	P	98.2	Very high	96.8	Very high	47 Å²	47	49.9 Å²	49.9	31%	0.305	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.7	-178	-23.3	33.7	0	0	0	113.2	I431 V460 M461 N462 L499 G500	P429-I431 HydrophobicContact CB-CD1 3.99Å; P429-I431 HydrophobicContact CB-CG1 3.88Å; P429-V460 HydrophobicContact CB-CG1 3.96Å; P429-M461 CarbonylContact C-O 3.55Å; P429-M461 WeakPolarHBondContact CA-O 3.44Å; P429-N462 WeakPolarHBondContact CA-OD1 3.22Å; P429-L499 CarbonylContact O-C 3.57Å; P429-L499 WeakPolarHBondContact O-CA 3.16Å; P429-G500 PolarHBondContact O-N 2.9Å
430	L	98.6	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.7	160.8	178.7	66.2	0	0	0	108.5	T428 V443 L453 V460 M461 V463 I473 L497 I498 L499 L504	T428-L430 PolarHBondContact O-N 3.01Å; L430-V443 HydrophobicContact CD2-CG1 3.9Å; L430-V443 HydrophobicContact CD2-CG2 3.99Å; L430-L453 HydrophobicContact CD2-CD1 4.34Å; L430-L453 HydrophobicContact CG-CD1 4.4Å; L430-V460 WeakPolarHBondContact O-CA 3.34Å; L430-M461 HydrophobicContact CB-CG 4.33Å; L430-M461 PolarHBondContact N-O 2.77Å; L430-M461 PolarHBondContact O-N 2.89Å; L430-M461 VanDerWaalsContact O-N 3.07Å; L430-V463 HydrophobicContact CB-CG2 3.9Å; L430-V463 HydrophobicContact CD2-CG2 4.16Å; L430-I473 HydrophobicContact CD2-CD1 4.27Å; L430-L497 HydrophobicContact CD1-CB 4.12Å; L430-L497 HydrophobicContact CD1-CD1 4.34Å; L430-I498 CarbonylContact C-O 3.57Å; L430-I498 WeakPolarHBondContact CA-O 3.42Å; L430-L499 HydrophobicContact CB-CD1 4.07Å; L430-L499 HydrophobicContact CD1-CB 4.46Å; L430-L499 HydrophobicContact CD1-CD1 4.34Å; L430-L504 HydrophobicContact CD1-CD1 3.66Å
431	I	98.5	Very high	96.9	Very high	44 Å²	44	46.7 Å²	46.7	23%	0.226	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.1	-165.2	-53.6	172.9	0	0	0	109.6	P429 P433 L459 V460 L497 I498	P429-I431 HydrophobicContact CB-CD1 3.99Å; P429-I431 HydrophobicContact CB-CG1 3.88Å; I431-P433 HydrophobicContact CG2-CB 4.23Å; I431-P433 VanDerWaalsContact O-CD 3.27Å; I431-P433 WeakPolarHBondContact O-CD 3.48Å; I431-L459 WeakPolarHBondContact CA-O 3.39Å; I431-V460 HydrophobicContact CB-CG2 4.44Å; I431-V460 HydrophobicContact CG1-CG1 4.07Å; I431-V460 HydrophobicContact CG1-CG2 4.11Å; I431-V460 HydrophobicContact CG2-CG2 4.08Å; I431-L497 WeakPolarHBondContact O-CA 3.23Å; I431-I498 HydrophobicContact CB-CB 4.38Å; I431-I498 PolarHBondContact N-O 2.93Å; I431-I498 PolarHBondContact O-N 3.47Å
432	S	98.1	Very high	97	Very high	1 Å²	1	45 Å²	45	1%	0.007	25%	0.247	C	C	.	.			trans	-102.8	85.3	163.3	-172.3	0	0	0	0	109.2	L434 N435 G436 V437 L459	S432-L434 PolarHBondContact O-N 2.9Å; S432-N435 PolarHBondContact O-N 3.49Å; S432-N435 VanDerWaalsContact O-N 3.17Å; S432-G436 PolarHBondContact OG-N 2.88Å; S432-V437 PolarHBondContact OG-N 2.81Å; S432-L459 PolarHBondContact N-O 3.46Å
433	P	95.9	Very high	97.2	Very high	64 Å²	64	40.7 Å²	40.7	42%	0.416	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.1	-164.3	28.2	-38	0	0	0	113.5	I431 N496 I498	I431-P433 HydrophobicContact CG2-CB 4.23Å; I431-P433 VanDerWaalsContact O-CD 3.27Å; I431-P433 WeakPolarHBondContact O-CD 3.48Å; P433-N496 WeakPolarHBondContact CD-O 3.33Å; P433-I498 HydrophobicContact CB-CD1 4.23Å; P433-I498 HydrophobicContact CG-CD1 3.75Å; P433-I498 HydrophobicContact CG-CG1 4.11Å
434	L	96.9	Very high	97.2	Very high	140 Å²	140	36.6 Å²	36.6	73%	0.733	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	21.9	-179.1	-58.8	179.1	0	0	0	112.1	S432 G436	S432-L434 PolarHBondContact O-N 2.9Å; L434-G436 PolarHBondContact O-N 2.68Å
435	N	97.1	Very high	97.3	Very high	36 Å²	36	36.2 Å²	36.2	19%	0.193	20%	0.204	C	C	.	.			trans	57.6	30.5	-177	-173.5	37.2	0	0	0	113.2	S432 V437 H438 D456 L459	S432-N435 PolarHBondContact O-N 3.49Å; S432-N435 VanDerWaalsContact O-N 3.17Å; N435-V437 VanDerWaalsContact C-N 3.27Å; N435-V437 PolarHBondContact O-N 3.01Å; N435-H438 PolarHBondContact O-CD2 3.08Å; N435-H438 PolarHBondContact O-NE2 3.25Å; N435-D456 PolarHBondContact ND2-OD1 3.21Å; N435-D456 PolarHBondContact OD1-N 2.95Å; N435-L459 HydrophobicContact CB-CD1 4.38Å; N435-L459 HydrophobicContact CB-CD2 4.27Å; N435-L459 WeakPolarHBondContact OD1-CD2 3.27Å
436	G	97.7	Very high	97.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	19%	0.191	C	C	.	.			trans	-84.8	21.3	-172.1	0	0	0	0	0	116	S432 L434 L493 V494 S495	S432-G436 PolarHBondContact OG-N 2.88Å; L434-G436 PolarHBondContact O-N 2.68Å; G436-L493 CarbonylContact O-C 3.54Å; G436-L493 WeakPolarHBondContact O-CA 3.21Å; G436-V494 VanDerWaalsContact CA-CG2 3.41Å; G436-V494 PolarHBondContact O-N 2.94Å; G436-S495 WeakPolarHBondContact CA-OG 3.45Å
437	V	98.8	Very high	97.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.4	169	169.8	0	0	0	0	107.9	S432 N435 A441 L453 R455 L493 L497	S432-V437 PolarHBondContact OG-N 2.81Å; N435-V437 VanDerWaalsContact C-N 3.27Å; N435-V437 PolarHBondContact O-N 3.01Å; V437-A441 HydrophobicContact CG1-CB 3.57Å; V437-A441 HydrophobicContact CG2-CB 4.35Å; V437-L453 HydrophobicContact CB-CB 4.44Å; V437-L453 HydrophobicContact CG1-CB 4.26Å; V437-L453 HydrophobicContact CG2-CB 3.98Å; V437-L453 HydrophobicContact CG2-CD1 3.93Å; V437-R455 WeakPolarHBondContact O-CB 3.23Å; V437-L493 HydrophobicContact CG2-CD2 3.88Å; V437-L497 HydrophobicContact CG2-CD2 4.19Å
438	H	98.8	Very high	97.1	Very high	27 Å²	27	30.1 Å²	30.1	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	94.6	-178.2	-77	-158.5	0	0	0	110.1	N435 R455 V475 D489 Y490 K491 G492 V494	N435-H438 PolarHBondContact O-CD2 3.08Å; N435-H438 PolarHBondContact O-NE2 3.25Å; H438-R455 PolarHBondContact CE1-NH2 2.97Å; H438-R455 PolarHBondContact NE2-NE 3.21Å; H438-V475 WeakPolarHBondContact O-CG1 3.32Å; H438-D489 IonicContact CE1-OD1 2.65Å; H438-D489 IonicContact ND1-OD1 2.66Å; H438-Y490 WeakPolarHBondContact CB-O 3.28Å; H438-Y490 PolarHBondContact ND1-O 3.05Å; H438-K491 HydrophobicContact CB-CD 4.25Å; H438-G492 PolarHBondContact N-O 2.94Å; H438-G492 PolarHBondContact O-N 2.97Å; H438-V494 HydrophobicContact CB-CG1 4.18Å
439	D	98.7	Very high	96.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.177	C	C	.	.	S	Bend	cis	-122.3	-26.6	10.1	-52.6	-59.1	0	0	0	114.4	F322 R455 E476 M478 K491	F322-D439 HydrophobicContact CD1-CB 4.33Å; F322-D439 HydrophobicContact CE1-CB 3.85Å; F322-D439 HydrophobicContact CZ-CB 4.14Å; F322-D439 VanDerWaalsContact CZ-CG 3.48Å; F322-D439 WeakPolarHBondContact CZ-OD2 3.38Å; D439-R455 HydrophobicContact CB-CB 4.47Å; D439-R455 WeakPolarHBondContact O-CB 3.4Å; D439-R455 PolarHBondContact O-N 3.19Å; D439-R455 VanDerWaalsContact OD1-CD 3.31Å; D439-R455 WeakPolarHBondContact OD1-CD 3.29Å; D439-R455 IonicContact OD1-CZ 3.66Å; D439-R455 IonicContact OD1-NE 3.66Å; D439-R455 IonicContact OD1-NH1 2.7Å; D439-R455 PolarHBondContact OD1-NH1 3.25Å; D439-E476 PolarHBondContact N-O 3.29Å; D439-M478 HydrophobicContact CB-CB 3.92Å; D439-M478 HydrophobicContact CB-CG 3.95Å; D439-M478 HydrophobicContact CB-SD 3.94Å; D439-M478 PolarHBondContact OD2-N 3.25Å; D439-K491 IonicContact OD1-NZ 3.64Å; D439-K491 PolarHBondContact OD1-NZ 3.19Å; D439-K491 IonicContact OD2-NZ 3.24Å; D439-K491 PolarHBondContact OD2-NZ 2.8Å
440	R	98.8	Very high	96.8	Very high	9 Å²	9	31.7 Å²	31.7	3%	0.034	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132.2	-179.4	-165.6	174.7	-172.8	84.4	-1.5	109.4	Y442 V475 E476 M478 E611	R440-Y442 WeakPolarHBondContact CD-OH 3.44Å; R440-Y442 HydrophobicContact CG-CE1 4.38Å; R440-Y442 HydrophobicContact CG-CE2 4.44Å; R440-V475 CarbonylContact O-C 3.58Å; R440-V475 WeakPolarHBondContact O-CA 3.37Å; R440-E476 PolarHBondContact O-N 3.21Å; R440-M478 HydrophobicContact CB-SD 3.74Å; R440-E611 IonicContact CZ-OE1 3.71Å; R440-E611 IonicContact NE-OE1 3.34Å; R440-E611 PolarHBondContact NE-OE1 2.77Å; R440-E611 IonicContact NH2-OE1 3.64Å; R440-E611 PolarHBondContact NH2-OE1 3.5Å; R440-E611 IonicContact NH2-OE2 3.59Å
441	A	98.8	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.5	-177.2	0	0	0	0	0	111	V437 L452 L453 I473 L474 V475	V437-A441 HydrophobicContact CG1-CB 3.57Å; V437-A441 HydrophobicContact CG2-CB 4.35Å; A441-L452 CarbonylContact O-C 3.6Å; A441-L452 WeakPolarHBondContact O-CA 3.26Å; A441-L452 WeakPolarHBondContact O-CB 3.35Å; A441-L453 HydrophobicContact CB-CB 4.25Å; A441-L453 PolarHBondContact N-O 3.32Å; A441-L453 PolarHBondContact O-N 2.68Å; A441-I473 HydrophobicContact CB-CG2 3.65Å; A441-L474 CarbonylContact C-O 3.58Å; A441-L474 VanDerWaalsContact CA-O 3.29Å; A441-L474 WeakPolarHBondContact CA-O 3.24Å; A441-V475 HydrophobicContact CB-CG2 4.05Å
442	Y	98.6	Very high	96.6	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.4	178.6	-52.9	-83.4	0	0	0	108.9	R440 F449 L474 E476 P542 L610 E611	R440-Y442 WeakPolarHBondContact CD-OH 3.44Å; R440-Y442 HydrophobicContact CG-CE1 4.38Å; R440-Y442 HydrophobicContact CG-CE2 4.44Å; Y442-F449 HydrophobicContact CD1-CE2 4.26Å; Y442-L474 HydrophobicContact CD2-CB 4.4Å; Y442-L474 HydrophobicContact CD2-CD2 4.09Å; Y442-L474 HydrophobicContact CD2-CG 4.38Å; Y442-L474 WeakPolarHBondContact CD2-O 3.49Å; Y442-L474 PolarHBondContact N-O 3.21Å; Y442-L474 PolarHBondContact O-N 3.33Å; Y442-E476 HydrophobicContact CE2-CB 4.23Å; Y442-E476 PolarHBondContact OH-OE2 3.26Å; Y442-P542 HydrophobicContact CD1-CG 4.43Å; Y442-P542 HydrophobicContact CD2-CG 4.32Å; Y442-P542 HydrophobicContact CG-CG 3.86Å; Y442-L610 HydrophobicContact CD1-CB 4.26Å; Y442-L610 WeakPolarHBondContact CD1-O 3.37Å; Y442-L610 HydrophobicContact CD2-CD2 4.48Å; Y442-L610 HydrophobicContact CE1-CB 3.65Å; Y442-L610 HydrophobicContact CE2-CB 4.01Å; Y442-L610 HydrophobicContact CE2-CD1 3.98Å; Y442-L610 HydrophobicContact CE2-CD2 4.11Å; Y442-L610 HydrophobicContact CE2-CG 4.26Å; Y442-L610 VanDerWaalsContact CZ-CB 3.48Å; Y442-L610 VanDerWaalsContact OH-CD1 3.25Å; Y442-L610 WeakPolarHBondContact OH-CD1 3.2Å; Y442-E611 HydrophobicContact CD1-CG 4.26Å; Y442-E611 HydrophobicContact CE1-CG 3.63Å
443	V	98.5	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.5	-169.5	-177.7	0	0	0	0	110	L430 F449 Q450 G451 M461 V463 L471 D472 I473	L430-V443 HydrophobicContact CD2-CG1 3.9Å; L430-V443 HydrophobicContact CD2-CG2 3.99Å; V443-F449 WeakPolarHBondContact O-CD2 3.48Å; V443-Q450 PolarHBondContact O-N 2.78Å; V443-G451 PolarHBondContact N-O 2.87Å; V443-M461 HydrophobicContact CB-CE 3.91Å; V443-M461 HydrophobicContact CB-SD 3.6Å; V443-M461 HydrophobicContact CG1-CE 4.13Å; V443-M461 HydrophobicContact CG1-SD 4.17Å; V443-M461 HydrophobicContact CG2-CE 4.44Å; V443-M461 HydrophobicContact CG2-SD 3.48Å; V443-M461 WeakPolarHBondContact CG2-SD 3.33Å; V443-V463 HydrophobicContact CG1-CG2 4.21Å; V443-L471 HydrophobicContact CG1-CD1 3.7Å; V443-D472 CarbonylContact C-O 3.18Å; V443-D472 WeakPolarHBondContact CA-O 3.26Å; V443-I473 HydrophobicContact CG2-CG1 4.4Å; V443-I473 HydrophobicContact CG2-CG2 4.45Å
444	S	97.4	Very high	96.8	Very high	14 Å²	14	30.1 Å²	30.1	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.4	177.2	-57.8	0	0	0	0	111.2	V448 D472	S444-V448 CarbonylContact C-O 3.37Å; S444-V448 WeakPolarHBondContact CA-O 3.15Å; S444-V448 WeakPolarHBondContact CB-O 3.42Å; S444-D472 PolarHBondContact N-O 3.41Å; S444-D472 PolarHBondContact O-N 2.86Å
445	V	96.4	Very high	96.8	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.3	171.1	176	0	0	0	0	108.6	L420 G447 V448 Q450 V463 D469 T470 L471	L420-V445 HydrophobicContact CD1-CG1 4.19Å; V445-G447 PolarHBondContact O-N 3.39Å; V445-G447 VanDerWaalsContact O-N 3.14Å; V445-V448 PolarHBondContact N-O 3.27Å; V445-V448 WeakPolarHBondContact O-CB 3.44Å; V445-V448 PolarHBondContact O-N 3.2Å; V445-Q450 HydrophobicContact CB-CG 4.26Å; V445-Q450 HydrophobicContact CG2-CG 3.95Å; V445-V463 HydrophobicContact CG2-CG1 3.44Å; V445-V463 VanDerWaalsContact CG2-CG1 3.44Å; V445-D469 HydrophobicContact CG1-CB 3.87Å; V445-T470 CarbonylContact C-O 3.26Å; V445-T470 VanDerWaalsContact CA-O 3.32Å; V445-T470 WeakPolarHBondContact CA-O 3.46Å; V445-L471 HydrophobicContact CG2-CD1 3.97Å
446	N	93.9	Very high	96.8	Very high	89 Å²	89	25 Å²	25	48%	0.476	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	38.2	-173.4	-69.6	-23.8	0	0	0	113.1	V448 D469 T470	N446-V448 VanDerWaalsContact C-N 3.27Å; N446-V448 PolarHBondContact O-N 3.23Å; N446-D469 PolarHBondContact ND2-OD1 3.42Å; N446-D469 PolarHBondContact ND2-OD2 2.95Å; N446-T470 PolarHBondContact N-O 2.87Å; N446-T470 PolarHBondContact OD1-N 3.43Å
447	G	89.7	Confident	96.7	Very high	26 Å²	26	28.3 Å²	28.3	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	4	-178.5	0	0	0	0	0	115.5	V445	V445-G447 PolarHBondContact O-N 3.39Å; V445-G447 VanDerWaalsContact O-N 3.14Å
448	V	91.4	Very high	96.7	Very high	92 Å²	92	30.8 Å²	30.8	56%	0.558	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.3	174.2	-177	0	0	0	0	109.6	S444 V445 N446 Q450	S444-V448 CarbonylContact C-O 3.37Å; S444-V448 WeakPolarHBondContact CA-O 3.15Å; S444-V448 WeakPolarHBondContact CB-O 3.42Å; V445-V448 PolarHBondContact N-O 3.27Å; V445-V448 WeakPolarHBondContact O-CB 3.44Å; V445-V448 PolarHBondContact O-N 3.2Å; N446-V448 VanDerWaalsContact C-N 3.27Å; N446-V448 PolarHBondContact O-N 3.23Å; V448-Q450 PolarHBondContact O-N 3.48Å; V448-Q450 PolarHBondContact O-NE2 2.79Å; V448-Q450 VanDerWaalsContact O-NE2 3.12Å
449	F	95	Very high	96.6	Very high	47 Å²	47	32.2 Å²	32.2	21%	0.206	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	129.6	179.7	-175.9	-117.8	0	0	0	112.1	Y442 V443 G451 A540	Y442-F449 HydrophobicContact CD1-CE2 4.26Å; V443-F449 WeakPolarHBondContact O-CD2 3.48Å; F449-G451 WeakPolarHBondContact CE2-O 3.33Å; F449-G451 WeakPolarHBondContact CZ-O 3.33Å; F449-A540 HydrophobicContact CB-CB 4.38Å; F449-A540 HydrophobicContact CD1-CB 4.13Å
450	Q	95.5	Very high	96.6	Very high	64 Å²	64	35.8 Å²	35.8	30%	0.299	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-29.3	-177.3	-60.7	-59.6	-52.4	0	0	112.5	V443 V445 V448 M461	V443-Q450 PolarHBondContact O-N 2.78Å; V445-Q450 HydrophobicContact CB-CG 4.26Å; V445-Q450 HydrophobicContact CG2-CG 3.95Å; V448-Q450 PolarHBondContact O-N 3.48Å; V448-Q450 PolarHBondContact O-NE2 2.79Å; V448-Q450 VanDerWaalsContact O-NE2 3.12Å; Q450-M461 HydrophobicContact CB-CE 3.62Å
451	G	96.1	Very high	96.6	Very high	17 Å²	17	36.3 Å²	36.3	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-163.9	-174.3	0	0	0	0	0	112.4	V443 F449	V443-G451 PolarHBondContact N-O 2.87Å; F449-G451 WeakPolarHBondContact CE2-O 3.33Å; F449-G451 WeakPolarHBondContact CZ-O 3.33Å
452	L	97.3	Very high	96.5	Very high	35 Å²	35	40.3 Å²	40.3	18%	0.183	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152	-177	67.3	91.7	0	0	0	113.3	A441 Q454 V458	A441-L452 CarbonylContact O-C 3.6Å; A441-L452 WeakPolarHBondContact O-CA 3.26Å; A441-L452 WeakPolarHBondContact O-CB 3.35Å; L452-Q454 HydrophobicContact CD1-CB 4.01Å; L452-V458 HydrophobicContact CD1-CB 4.47Å; L452-V458 WeakPolarHBondContact O-CG1 3.21Å
453	L	98.6	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.8	160.2	-62.2	168.8	0	0	0	108.7	L430 V437 A441 V458 L459 M461 L497	L430-L453 HydrophobicContact CD2-CD1 4.34Å; L430-L453 HydrophobicContact CG-CD1 4.4Å; V437-L453 HydrophobicContact CB-CB 4.44Å; V437-L453 HydrophobicContact CG1-CB 4.26Å; V437-L453 HydrophobicContact CG2-CB 3.98Å; V437-L453 HydrophobicContact CG2-CD1 3.93Å; A441-L453 HydrophobicContact CB-CB 4.25Å; A441-L453 PolarHBondContact N-O 3.32Å; A441-L453 PolarHBondContact O-N 2.68Å; L453-V458 CarbonylContact C-O 3.58Å; L453-V458 VanDerWaalsContact CA-O 3.29Å; L453-V458 WeakPolarHBondContact CA-O 3.19Å; L453-L459 VanDerWaalsContact CD2-C 3.46Å; L453-M461 HydrophobicContact CD2-CB 4.4Å; L453-M461 HydrophobicContact CD2-CG 3.95Å; L453-M461 HydrophobicContact CG-CG 4.19Å; L453-M461 HydrophobicContact CG-SD 4.44Å; L453-L497 HydrophobicContact CD1-CD2 4.31Å
454	Q	98.1	Very high	96.3	Very high	23 Å²	23	43.1 Å²	43.1	11%	0.107	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	130.3	-179.3	-174.5	-166.2	-36	0	0	109.9	L452 D456 T457 V458 R584	L452-Q454 HydrophobicContact CD1-CB 4.01Å; Q454-D456 PolarHBondContact O-N 2.85Å; Q454-T457 WeakPolarHBondContact CB-OG1 3.5Å; Q454-T457 WeakPolarHBondContact CG-OG1 3.49Å; Q454-T457 PolarHBondContact NE2-OG1 2.82Å; Q454-T457 PolarHBondContact O-N 2.97Å; Q454-T457 PolarHBondContact OE1-OG1 3.49Å; Q454-V458 HydrophobicContact CB-CB 4.1Å; Q454-V458 HydrophobicContact CB-CG2 4.37Å; Q454-V458 PolarHBondContact N-O 2.81Å; Q454-V458 CarbonylContact O-C 3.58Å; Q454-V458 PolarHBondContact O-N 3.42Å; Q454-R584 VanDerWaalsContact OE1-NH2 3.07Å
455	R	98.4	Very high	96.3	Very high	16 Å²	16	43.4 Å²	43.4	6%	0.06	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.3	134.1	173.2	-165.4	174	178.6	170.9	4.9	111.6	F322 V437 H438 D439 T457 D489	F322-R455 HydrophobicContact CB-CG 4.28Å; V437-R455 WeakPolarHBondContact O-CB 3.23Å; H438-R455 PolarHBondContact CE1-NH2 2.97Å; H438-R455 PolarHBondContact NE2-NE 3.21Å; D439-R455 HydrophobicContact CB-CB 4.47Å; D439-R455 WeakPolarHBondContact O-CB 3.4Å; D439-R455 PolarHBondContact O-N 3.19Å; D439-R455 VanDerWaalsContact OD1-CD 3.31Å; D439-R455 WeakPolarHBondContact OD1-CD 3.29Å; D439-R455 IonicContact OD1-CZ 3.66Å; D439-R455 IonicContact OD1-NE 3.66Å; D439-R455 IonicContact OD1-NH1 2.7Å; D439-R455 PolarHBondContact OD1-NH1 3.25Å; R455-T457 PolarHBondContact O-N 2.91Å; R455-D489 IonicContact CZ-OD1 2.61Å; R455-D489 VanDerWaalsContact CZ-OD1 3.26Å; R455-D489 IonicContact NH1-OD1 2.74Å; R455-D489 PolarHBondContact NH1-OD1 3.42Å; R455-D489 IonicContact NH1-OD2 3.62Å; R455-D489 PolarHBondContact NH1-OD2 3.41Å; R455-D489 IonicContact NH2-OD1 3.68Å; R455-D489 PolarHBondContact NH2-OD1 3.05Å
456	D	97.1	Very high	96.3	Very high	52 Å²	52	50 Å²	50	28%	0.278	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-15.9	-179.5	-57.3	-31.8	0	0	0	117	H318 R321 F322 N435 Q454	H318-D456 IonicContact CE1-OD2 3.64Å; H318-D456 IonicContact NE2-OD2 3.97Å; R321-D456 WeakPolarHBondContact CA-OD2 3.06Å; R321-D456 HydrophobicContact CB-CB 4.27Å; F322-D456 PolarHBondContact N-OD2 3.07Å; N435-D456 PolarHBondContact ND2-OD1 3.21Å; N435-D456 PolarHBondContact OD1-N 2.95Å; Q454-D456 PolarHBondContact O-N 2.85Å
457	T	95.5	Very high	96.5	Very high	72 Å²	72	51.7 Å²	51.7	44%	0.442	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-44.3	-169.8	62.8	0	0	0	0	115	Q454 R455	Q454-T457 WeakPolarHBondContact CB-OG1 3.5Å; Q454-T457 WeakPolarHBondContact CG-OG1 3.49Å; Q454-T457 PolarHBondContact NE2-OG1 2.82Å; Q454-T457 PolarHBondContact O-N 2.97Å; Q454-T457 PolarHBondContact OE1-OG1 3.49Å; R455-T457 PolarHBondContact O-N 2.91Å
458	V	97.4	Very high	96.8	Very high	52 Å²	52	52.6 Å²	52.6	32%	0.315	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-126.9	88.9	-175.7	-175.1	0	0	0	0	108.3	L452 L453 Q454	L452-V458 HydrophobicContact CD1-CB 4.47Å; L452-V458 WeakPolarHBondContact O-CG1 3.21Å; L453-V458 CarbonylContact C-O 3.58Å; L453-V458 VanDerWaalsContact CA-O 3.29Å; L453-V458 WeakPolarHBondContact CA-O 3.19Å; Q454-V458 HydrophobicContact CB-CB 4.1Å; Q454-V458 HydrophobicContact CB-CG2 4.37Å; Q454-V458 PolarHBondContact N-O 2.81Å; Q454-V458 CarbonylContact O-C 3.58Å; Q454-V458 PolarHBondContact O-N 3.42Å
459	L	98.1	Very high	97.1	Very high	58 Å²	58	49.9 Å²	49.9	30%	0.304	28%	0.277	S	S	.	.			trans	-95.1	-8.1	-175	-52.2	-172.9	0	0	0	113.5	I431 S432 N435 L453	I431-L459 WeakPolarHBondContact CA-O 3.39Å; S432-L459 PolarHBondContact N-O 3.46Å; N435-L459 HydrophobicContact CB-CD1 4.38Å; N435-L459 HydrophobicContact CB-CD2 4.27Å; N435-L459 WeakPolarHBondContact OD1-CD2 3.27Å; L453-L459 VanDerWaalsContact CD2-C 3.46Å
460	V	98.3	Very high	97.3	Very high	75 Å²	75	49.6 Å²	49.6	46%	0.455	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.6	-177.9	-174.4	0	0	0	0	109.2	P429 L430 I431	P429-V460 HydrophobicContact CB-CG1 3.96Å; L430-V460 WeakPolarHBondContact O-CA 3.34Å; I431-V460 HydrophobicContact CB-CG2 4.44Å; I431-V460 HydrophobicContact CG1-CG1 4.07Å; I431-V460 HydrophobicContact CG1-CG2 4.11Å; I431-V460 HydrophobicContact CG2-CG2 4.08Å
461	M	97.8	Very high	97.4	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.099	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.3	164.6	62.5	168.2	-74.8	0	0	109.4	P429 L430 V443 Q450 L453 V463	P429-M461 CarbonylContact C-O 3.55Å; P429-M461 WeakPolarHBondContact CA-O 3.44Å; L430-M461 HydrophobicContact CB-CG 4.33Å; L430-M461 PolarHBondContact N-O 2.77Å; L430-M461 PolarHBondContact O-N 2.89Å; L430-M461 VanDerWaalsContact O-N 3.07Å; V443-M461 HydrophobicContact CB-CE 3.91Å; V443-M461 HydrophobicContact CB-SD 3.6Å; V443-M461 HydrophobicContact CG1-CE 4.13Å; V443-M461 HydrophobicContact CG1-SD 4.17Å; V443-M461 HydrophobicContact CG2-CE 4.44Å; V443-M461 HydrophobicContact CG2-SD 3.48Å; V443-M461 WeakPolarHBondContact CG2-SD 3.33Å; Q450-M461 HydrophobicContact CB-CE 3.62Å; L453-M461 HydrophobicContact CD2-CB 4.4Å; L453-M461 HydrophobicContact CD2-CG 3.95Å; L453-M461 HydrophobicContact CG-CG 4.19Å; L453-M461 HydrophobicContact CG-SD 4.44Å; M461-V463 HydrophobicContact CE-CG2 4.02Å
462	N	97.8	Very high	97.5	Very high	85 Å²	85	46 Å²	46	46%	0.455	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.7	176	-69.4	-25.9	0	0	0	111.4	P427 T428 P429	P427-N462 HydrophobicContact CB-CB 3.79Å; T428-N462 CarbonylContact O-C 3.55Å; T428-N462 WeakPolarHBondContact O-CA 3.47Å; P429-N462 WeakPolarHBondContact CA-OD1 3.22Å
463	V	96.9	Very high	97.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144	177.5	180	0	0	0	0	109.1	T428 L430 V443 V445 M461 L499	T428-V463 PolarHBondContact N-O 3.28Å; T428-V463 PolarHBondContact O-N 3.1Å; L430-V463 HydrophobicContact CB-CG2 3.9Å; L430-V463 HydrophobicContact CD2-CG2 4.16Å; V443-V463 HydrophobicContact CG1-CG2 4.21Å; V445-V463 HydrophobicContact CG2-CG1 3.44Å; V445-V463 VanDerWaalsContact CG2-CG1 3.44Å; M461-V463 HydrophobicContact CE-CG2 4.02Å; V463-L499 HydrophobicContact CB-CD1 4.46Å
464	T	96.1	Very high	97.6	Very high	59 Å²	59	44.5 Å²	44.5	36%	0.362	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.6	169.7	57.4	0	0	0	0	110	P427	P427-T464 HydrophobicContact CB-CG2 4.35Å; P427-T464 HydrophobicContact CG-CG2 4.18Å
465	G	96	Very high	97.7	Very high	19 Å²	19	43.4 Å²	43.4	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.3	-179.9	-178.6	0	0	0	0	0	112.6	L424	L424-G465 CarbonylContact C-O 3.56Å; L424-G465 WeakPolarHBondContact CA-O 3.31Å; L424-G465 PolarHBondContact N-O 2.82Å; L424-G465 PolarHBondContact O-N 2.99Å
466	K	97.4	Very high	97.7	Very high	148 Å²	148	42.6 Å²	42.6	64%	0.643	24%	0.242	S	C	*	.			trans	-103.1	156.2	177.4	-62.9	-177.3	-179.6	-179.1	0	111.1	L420 D423 G468 D469	L420-K466 WeakPolarHBondContact CB-O 3.45Å; D423-K466 WeakPolarHBondContact OD1-CA 3.37Å; K466-G468 PolarHBondContact O-N 2.69Å; K466-D469 PolarHBondContact N-OD2 3.06Å; K466-D469 WeakPolarHBondContact O-CB 3.28Å; K466-D469 VanDerWaalsContact O-CG 3.3Å; K466-D469 PolarHBondContact O-N 3.38Å
467	Q	97.3	Very high	97.8	Very high	125 Å²	125	40.1 Å²	40.1	58%	0.584	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	133.4	171.9	-176.6	175.1	30.9	0	0	110.5	P421 H422 D423 D469	P421-Q467 WeakPolarHBondContact O-CG 3.31Å; P421-Q467 PolarHBondContact O-NE2 3.35Å; H422-Q467 PolarHBondContact O-N 3.09Å; D423-Q467 PolarHBondContact OD1-N 3.19Å; Q467-D469 PolarHBondContact O-N 2.86Å
468	G	97.3	Very high	97.9	Very high	45 Å²	45	37.1 Å²	37.1	46%	0.464	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-7.6	-179	0	0	0	0	0	114.8	L420 K466	L420-G468 PolarHBondContact O-N 2.64Å; K466-G468 PolarHBondContact O-N 2.69Å
469	D	98	Very high	98	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.182	20%	0.195	C	C	.	.			trans	-59.2	144.1	171.1	-76.5	-17.6	0	0	0	110.3	T419 L420 V445 N446 K466 Q467 L471	T419-D469 CarbonylContact C-O 3.55Å; T419-D469 VanDerWaalsContact CA-O 3.25Å; T419-D469 WeakPolarHBondContact CA-O 3.19Å; L420-D469 HydrophobicContact CD1-CB 4Å; L420-D469 HydrophobicContact CG-CB 4.24Å; L420-D469 PolarHBondContact N-O 2.79Å; V445-D469 HydrophobicContact CG1-CB 3.87Å; N446-D469 PolarHBondContact ND2-OD1 3.42Å; N446-D469 PolarHBondContact ND2-OD2 2.95Å; K466-D469 PolarHBondContact N-OD2 3.06Å; K466-D469 WeakPolarHBondContact O-CB 3.28Å; K466-D469 VanDerWaalsContact O-CG 3.3Å; K466-D469 PolarHBondContact O-N 3.38Å; Q467-D469 PolarHBondContact O-N 2.86Å; D469-L471 PolarHBondContact O-N 3.02Å
470	T	98.2	Very high	98	Very high	42 Å²	42	31.9 Å²	31.9	26%	0.258	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.1	-179.5	-61.2	0	0	0	0	109.9	R417 V445 N446	R417-T470 HydrophobicContact CG-CG2 3.8Å; V445-T470 CarbonylContact C-O 3.26Å; V445-T470 VanDerWaalsContact CA-O 3.32Å; V445-T470 WeakPolarHBondContact CA-O 3.46Å; N446-T470 PolarHBondContact N-O 2.87Å; N446-T470 PolarHBondContact OD1-N 3.43Å
471	L	98.4	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.7	170.7	178	63.9	0	0	0	109.1	R417 T418 L420 V443 V445 D469 I473 L504	R417-L471 WeakPolarHBondContact CA-O 3.44Å; T418-L471 HydrophobicContact CG2-CB 4.23Å; T418-L471 HydrophobicContact CG2-CD2 4.04Å; T418-L471 HydrophobicContact CG2-CG 4.48Å; T418-L471 PolarHBondContact N-O 2.8Å; T418-L471 PolarHBondContact O-N 3.06Å; L420-L471 HydrophobicContact CD2-CB 4.02Å; L420-L471 HydrophobicContact CD2-CD1 4.5Å; L420-L471 HydrophobicContact CD2-CD2 4.13Å; L420-L471 HydrophobicContact CD2-CG 4.45Å; V443-L471 HydrophobicContact CG1-CD1 3.7Å; V445-L471 HydrophobicContact CG2-CD1 3.97Å; D469-L471 PolarHBondContact O-N 3.02Å; L471-I473 HydrophobicContact CD2-CD1 4.47Å; L471-I473 HydrophobicContact CG-CG1 4.33Å; L471-L504 HydrophobicContact CD2-CD1 3.7Å
472	D	98.6	Very high	98.1	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.9	178.3	-86.3	-18.5	0	0	0	110.5	S384 L415 R417 V443 S444	S384-D472 PolarHBondContact OG-OD2 3.34Å; L415-D472 HydrophobicContact CD1-CB 3.85Å; R417-D472 WeakPolarHBondContact CB-OD1 3.37Å; R417-D472 WeakPolarHBondContact CG-OD1 3.41Å; R417-D472 IonicContact CZ-OD1 3.25Å; R417-D472 IonicContact CZ-OD2 2.77Å; R417-D472 IonicContact NE-OD1 2.88Å; R417-D472 PolarHBondContact NE-OD1 3Å; R417-D472 IonicContact NE-OD2 2.77Å; R417-D472 IonicContact NH2-OD1 2.83Å; R417-D472 PolarHBondContact NH2-OD1 2.7Å; R417-D472 IonicContact NH2-OD2 3.26Å; R417-D472 PolarHBondContact NH2-OD2 2.82Å; V443-D472 CarbonylContact C-O 3.18Å; V443-D472 WeakPolarHBondContact CA-O 3.26Å; S444-D472 PolarHBondContact N-O 3.41Å; S444-D472 PolarHBondContact O-N 2.86Å
473	I	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	98.9	178.2	-53.3	-175.4	0	0	0	108	Y416 L430 A441 V443 L471 V475 L497 W507	Y416-I473 PolarHBondContact N-O 3.44Å; Y416-I473 PolarHBondContact O-N 3.2Å; L430-I473 HydrophobicContact CD2-CD1 4.27Å; A441-I473 HydrophobicContact CB-CG2 3.65Å; V443-I473 HydrophobicContact CG2-CG1 4.4Å; V443-I473 HydrophobicContact CG2-CG2 4.45Å; L471-I473 HydrophobicContact CD2-CD1 4.47Å; L471-I473 HydrophobicContact CG-CG1 4.33Å; I473-V475 HydrophobicContact CG2-CG2 4.03Å; I473-L497 HydrophobicContact CD1-CD1 3.28Å; I473-W507 HydrophobicContact CD1-CH2 3.83Å; I473-W507 HydrophobicContact CD1-CZ3 4.16Å
474	L	98.9	Very high	98	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115	173.8	-179.6	75.1	0	0	0	108.7	I383 Y413 L415 A441 Y442 L512 P542 L610	I383-L474 HydrophobicContact CD1-CD2 4.4Å; I383-L474 HydrophobicContact CG1-CD1 4.25Å; I383-L474 HydrophobicContact CG1-CD2 3.92Å; I383-L474 HydrophobicContact CG2-CD1 4.29Å; Y413-L474 HydrophobicContact CD1-CD2 4.36Å; Y413-L474 HydrophobicContact CD1-CG 4.48Å; L415-L474 HydrophobicContact CB-CD1 4.4Å; L415-L474 HydrophobicContact CD1-CB 4.41Å; A441-L474 CarbonylContact C-O 3.58Å; A441-L474 VanDerWaalsContact CA-O 3.29Å; A441-L474 WeakPolarHBondContact CA-O 3.24Å; Y442-L474 HydrophobicContact CD2-CB 4.4Å; Y442-L474 HydrophobicContact CD2-CD2 4.09Å; Y442-L474 HydrophobicContact CD2-CG 4.38Å; Y442-L474 WeakPolarHBondContact CD2-O 3.49Å; Y442-L474 PolarHBondContact N-O 3.21Å; Y442-L474 PolarHBondContact O-N 3.33Å; L474-L512 HydrophobicContact CD1-CD1 3.55Å; L474-P542 HydrophobicContact CD2-CB 3.6Å; L474-P542 HydrophobicContact CD2-CG 3.63Å; L474-L610 HydrophobicContact CD2-CD2 4.03Å
475	V	98.9	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.7	177.9	-172.9	0	0	0	0	110.1	F404 Y413 M414 Y416 H438 R440 A441 I473 L493	F404-V475 HydrophobicContact CE2-CB 4.41Å; F404-V475 HydrophobicContact CE2-CG1 4.44Å; Y413-V475 CarbonylContact C-O 3.54Å; Y413-V475 VanDerWaalsContact CA-O 3.27Å; Y413-V475 WeakPolarHBondContact CA-O 3.49Å; M414-V475 PolarHBondContact N-O 3.48Å; M414-V475 PolarHBondContact O-N 3.15Å; Y416-V475 HydrophobicContact CD2-CB 4.32Å; Y416-V475 HydrophobicContact CD2-CG2 3.66Å; Y416-V475 HydrophobicContact CE2-CB 4.03Å; Y416-V475 HydrophobicContact CE2-CG2 3.71Å; H438-V475 WeakPolarHBondContact O-CG1 3.32Å; R440-V475 CarbonylContact O-C 3.58Å; R440-V475 WeakPolarHBondContact O-CA 3.37Å; A441-V475 HydrophobicContact CB-CG2 4.05Å; I473-V475 HydrophobicContact CG2-CG2 4.03Å; V475-L493 HydrophobicContact CG2-CD2 3.83Å; V475-L493 HydrophobicContact CG2-CG 4.02Å
476	E	98.9	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.9	172.7	179.2	-177.4	-171.7	0	0	110.3	Y413 D439 R440 Y442 M478 K567 R579	Y413-E476 HydrophobicContact CD1-CB 3.72Å; Y413-E476 HydrophobicContact CD1-CG 3.96Å; Y413-E476 HydrophobicContact CE1-CB 3.66Å; Y413-E476 HydrophobicContact CE1-CG 3.49Å; Y413-E476 VanDerWaalsContact CE1-CG 3.49Å; D439-E476 PolarHBondContact N-O 3.29Å; R440-E476 PolarHBondContact O-N 3.21Å; Y442-E476 HydrophobicContact CE2-CB 4.23Å; Y442-E476 PolarHBondContact OH-OE2 3.26Å; E476-M478 HydrophobicContact CB-CG 4.47Å; E476-M478 HydrophobicContact CG-CG 3.84Å; E476-M478 PolarHBondContact O-N 3.02Å; E476-K567 IonicContact OE1-NZ 3.88Å; E476-K567 PolarHBondContact OE1-NZ 2.81Å; E476-K567 IonicContact OE2-NZ 3.2Å; E476-K567 PolarHBondContact OE2-NZ 2.91Å; E476-R579 IonicContact OE1-CZ 2.83Å; E476-R579 IonicContact OE1-NH1 2.82Å; E476-R579 PolarHBondContact OE1-NH1 2.96Å
477	N	98.9	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.			trans	-76.6	110.5	158.1	173	8.8	0	0	0	108	F404 Y410 G412 G479 R480 K491 R579	F404-N477 HydrophobicContact CD1-CB 4.13Å; F404-N477 HydrophobicContact CE1-CB 3.69Å; F404-N477 HydrophobicContact CZ-CB 4.23Å; Y410-N477 PolarHBondContact O-ND2 2.97Å; G412-N477 PolarHBondContact O-N 3.48Å; N477-G479 VanDerWaalsContact C-N 3.29Å; N477-G479 PolarHBondContact OD1-N 3.15Å; N477-R480 PolarHBondContact ND2-NH1 3.45Å; N477-R480 VanDerWaalsContact ND2-NH1 3.18Å; N477-K491 HydrophobicContact CB-CB 4.14Å; N477-K491 HydrophobicContact CB-CD 4.45Å; N477-K491 HydrophobicContact CB-CG 4.12Å; N477-K491 WeakPolarHBondContact OD1-CD 3.14Å; N477-K491 WeakPolarHBondContact OD1-CE 3.34Å; N477-R579 VanDerWaalsContact O-CZ 3.27Å; N477-R579 PolarHBondContact O-NH1 2.79Å; N477-R579 PolarHBondContact O-NH2 3.13Å
478	M	98.9	Very high	97.9	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.044	13%	0.131	C	C	.	.			trans	-86.4	2.4	-178.4	-71.1	179.4	56.9	0	0	113.5	N314 F322 S324 D439 R440 E476 W581	N314-M478 PolarHBondContact ND2-O 3.35Å; F322-M478 HydrophobicContact CE1-CB 3.92Å; F322-M478 HydrophobicContact CE1-CE 4.4Å; F322-M478 HydrophobicContact CZ-CB 4.02Å; S324-M478 PolarHBondContact OG-O 2.88Å; D439-M478 HydrophobicContact CB-CB 3.92Å; D439-M478 HydrophobicContact CB-CG 3.95Å; D439-M478 HydrophobicContact CB-SD 3.94Å; D439-M478 PolarHBondContact OD2-N 3.25Å; R440-M478 HydrophobicContact CB-SD 3.74Å; E476-M478 HydrophobicContact CB-CG 4.47Å; E476-M478 HydrophobicContact CG-CG 3.84Å; E476-M478 PolarHBondContact O-N 3.02Å; M478-W581 HydrophobicContact CE-CE3 4.46Å; M478-W581 HydrophobicContact CE-CH2 4.08Å; M478-W581 HydrophobicContact CE-CZ3 3.51Å
479	G	98.6	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.			trans	118.3	128.8	-175.5	0	0	0	0	0	110.1	E127 A316 F322 N477 K491	E127-G479 VanDerWaalsContact OE2-CA 3.23Å; E127-G479 WeakPolarHBondContact OE2-CA 3.49Å; A316-G479 WeakPolarHBondContact CB-O 3.31Å; F322-G479 WeakPolarHBondContact CE2-O 3.44Å; F322-G479 WeakPolarHBondContact CZ-O 3.43Å; N477-G479 VanDerWaalsContact C-N 3.29Å; N477-G479 PolarHBondContact OD1-N 3.15Å; G479-K491 PolarHBondContact O-NZ 2.87Å
480	R	98.9	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.			trans	-70.5	143.5	176.3	-75.8	-178.6	-175	76.7	4.3	110.7	E127 M128 A316 E405 Y410 N477 N482 D489 K491	E127-R480 VanDerWaalsContact OE1-CB 3.3Å; E127-R480 WeakPolarHBondContact OE1-CB 3.43Å; E127-R480 VanDerWaalsContact OE1-CD 3.28Å; E127-R480 WeakPolarHBondContact OE1-CD 3.27Å; E127-R480 WeakPolarHBondContact OE1-CG 3.49Å; E127-R480 IonicContact OE1-CZ 2.73Å; E127-R480 IonicContact OE1-NE 2.67Å; E127-R480 IonicContact OE1-NH1 2.72Å; E127-R480 PolarHBondContact OE1-NH1 2.9Å; E127-R480 PolarHBondContact OE2-N 3.3Å; M128-R480 HydrophobicContact CB-CB 3.7Å; M128-R480 HydrophobicContact CB-CG 4.41Å; M128-R480 HydrophobicContact CG-CB 4Å; M128-R480 WeakPolarHBondContact SD-CD 3.49Å; A316-R480 PolarHBondContact N-O 3.46Å; A316-R480 VanDerWaalsContact N-O 3.16Å; E405-R480 IonicContact OE1-CZ 3.72Å; E405-R480 VanDerWaalsContact OE1-CZ 3.24Å; E405-R480 IonicContact OE1-NE 3.36Å; E405-R480 PolarHBondContact OE1-NE 3.17Å; E405-R480 IonicContact OE1-NH2 3.63Å; E405-R480 PolarHBondContact OE1-NH2 3.38Å; Y410-R480 PolarHBondContact O-NH1 3.22Å; Y410-R480 PolarHBondContact O-NH2 3.47Å; N477-R480 PolarHBondContact ND2-NH1 3.45Å; N477-R480 VanDerWaalsContact ND2-NH1 3.18Å; R480-N482 PolarHBondContact O-N 2.86Å; R480-D489 HydrophobicContact CB-CB 4.3Å; R480-D489 HydrophobicContact CG-CB 4.3Å; R480-D489 WeakPolarHBondContact CG-O 3.45Å; R480-D489 PolarHBondContact NE-O 3.18Å; R480-K491 HydrophobicContact CG-CD 4.36Å; R480-K491 HydrophobicContact CG-CG 4.06Å
481	V	98.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-53.9	129.8	173.3	176.2	0	0	0	0	109.7	A316 H318 F322 F483 K486 I487 D489	A316-V481 CarbonylContact O-C 3.52Å; A316-V481 WeakPolarHBondContact O-CA 3.28Å; H318-V481 HydrophobicContact CB-CG1 4.18Å; H318-V481 HydrophobicContact CB-CG2 3.61Å; F322-V481 HydrophobicContact CD2-CG2 4.16Å; F322-V481 HydrophobicContact CE2-CG2 4.29Å; V481-F483 WeakPolarHBondContact CG1-O 3.45Å; V481-K486 HydrophobicContact CG1-CB 4.3Å; V481-I487 HydrophobicContact CG1-CG2 4.35Å; V481-D489 HydrophobicContact CB-CB 4.23Å; V481-D489 HydrophobicContact CG2-CB 4.38Å; V481-D489 WeakPolarHBondContact CG2-OD2 3.28Å; V481-D489 PolarHBondContact N-OD2 3Å; V481-D489 VanDerWaalsContact N-OD2 3.14Å
482	N	98.6	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.			trans	-110.2	-14.8	-171.3	81.2	92.2	0	0	0	113.5	Y121 C123 E125 W126 A316 D317 R480	Y121-N482 WeakPolarHBondContact CE2-O 3.47Å; Y121-N482 VanDerWaalsContact CZ-O 3.32Å; Y121-N482 PolarHBondContact OH-O 2.75Å; C123-N482 PolarHBondContact SG-OD1 3.4Å; C123-N482 VanDerWaalsContact SG-OD1 3.41Å; E125-N482 WeakPolarHBondContact CA-OD1 3.35Å; E125-N482 PolarHBondContact N-OD1 3.39Å; W126-N482 WeakPolarHBondContact O-CB 3.32Å; A316-N482 PolarHBondContact N-ND2 2.82Å; A316-N482 PolarHBondContact O-N 3.48Å; A316-N482 PolarHBondContact O-ND2 2.94Å; D317-N482 PolarHBondContact OD1-ND2 2.81Å; R480-N482 PolarHBondContact O-N 2.86Å
483	F	97.6	Very high	98	Very high	67 Å²	67	18.9 Å²	18.9	29%	0.294	10%	0.1	S	C	.	.	S	Bend	trans	-133.6	154.8	179.2	-174.4	-99.4	0	0	0	112.2	V481	V481-F483 WeakPolarHBondContact CG1-O 3.45Å
484	G	95.5	Very high	98	Very high	19 Å²	19	21.5 Å²	21.5	20%	0.196	12%	0.116	C	C	.	.	S	Bend	trans	82.3	-163.5	177.4	0	0	0	0	0	114.6	Y188 K486 I487	Y188-G484 WeakPolarHBondContact CE2-O 3.48Å; G484-K486 VanDerWaalsContact C-N 3.33Å; G484-K486 PolarHBondContact O-N 2.98Å; G484-I487 WeakPolarHBondContact O-CG2 3.3Å
485	S	94.6	Very high	97.9	Very high	71 Å²	71	22.3 Å²	22.3	50%	0.497	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.7	-172.6	58	0	0	0	0	114.8
486	K	96	Very high	97.9	Very high	84 Å²	84	25.1 Å²	25.1	37%	0.365	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	20.4	-172.3	-65.7	-178.7	175.3	176.9	0	113.9	H318 V481 G484 N488	H318-K486 HydrophobicContact CB-CD 4.02Å; H318-K486 PolarHBondContact CE1-NZ 2.78Å; H318-K486 PolarHBondContact ND1-NZ 2.66Å; H318-K486 VanDerWaalsContact ND1-NZ 3.16Å; H318-K486 PolarHBondContact NE2-NZ 2.68Å; V481-K486 HydrophobicContact CG1-CB 4.3Å; G484-K486 VanDerWaalsContact C-N 3.33Å; G484-K486 PolarHBondContact O-N 2.98Å; K486-N488 PolarHBondContact O-N 3.07Å
487	I	97.5	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.			trans	-69.5	-15.6	-178.3	58.7	167.9	0	0	0	113.8	Y121 M128 L131 L143 R144 Y188 V481 G484 D489	Y121-I487 HydrophobicContact CE2-CD1 4.36Å; M128-I487 WeakPolarHBondContact CE-O 3.38Å; L131-I487 HydrophobicContact CD1-CD1 4.43Å; L143-I487 HydrophobicContact CB-CD1 4.07Å; L143-I487 HydrophobicContact CD1-CD1 4.2Å; L143-I487 HydrophobicContact CD1-CG1 4.08Å; R144-I487 HydrophobicContact CG-CD1 4.15Å; Y188-I487 HydrophobicContact CD2-CD1 4.49Å; Y188-I487 HydrophobicContact CE2-CD1 3.62Å; Y188-I487 HydrophobicContact CE2-CG1 3.95Å; V481-I487 HydrophobicContact CG1-CG2 4.35Å; G484-I487 WeakPolarHBondContact O-CG2 3.3Å; I487-D489 PolarHBondContact O-N 3.47Å
488	N	95.8	Very high	97.9	Very high	75 Å²	75	27.2 Å²	27.2	40%	0.401	15%	0.147	S	C	.	.			trans	-76.7	55.8	168.5	60.4	-29.1	0	0	0	111.3	L136 L143 K486 Y490	L136-N488 HydrophobicContact CD2-CB 4.12Å; L143-N488 HydrophobicContact CD1-CB 4.2Å; K486-N488 PolarHBondContact O-N 3.07Å; N488-Y490 PolarHBondContact O-N 3.48Å
489	D	98.1	Very high	97.8	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	15%	0.146	C	C	.	.			trans	-93.6	84.6	-166.3	-167.5	29.5	0	0	0	111.9	H438 R455 R480 V481 I487 K491	H438-D489 IonicContact CE1-OD1 2.65Å; H438-D489 IonicContact ND1-OD1 2.66Å; R455-D489 IonicContact CZ-OD1 2.61Å; R455-D489 VanDerWaalsContact CZ-OD1 3.26Å; R455-D489 IonicContact NH1-OD1 2.74Å; R455-D489 PolarHBondContact NH1-OD1 3.42Å; R455-D489 IonicContact NH1-OD2 3.62Å; R455-D489 PolarHBondContact NH1-OD2 3.41Å; R455-D489 IonicContact NH2-OD1 3.68Å; R455-D489 PolarHBondContact NH2-OD1 3.05Å; R480-D489 HydrophobicContact CB-CB 4.3Å; R480-D489 HydrophobicContact CG-CB 4.3Å; R480-D489 WeakPolarHBondContact CG-O 3.45Å; R480-D489 PolarHBondContact NE-O 3.18Å; V481-D489 HydrophobicContact CB-CB 4.23Å; V481-D489 HydrophobicContact CG2-CB 4.38Å; V481-D489 WeakPolarHBondContact CG2-OD2 3.28Å; V481-D489 PolarHBondContact N-OD2 3Å; V481-D489 VanDerWaalsContact N-OD2 3.14Å; I487-D489 PolarHBondContact O-N 3.47Å; D489-K491 WeakPolarHBondContact OD2-CE 3.24Å; D489-K491 IonicContact OD2-NZ 2.9Å; D489-K491 PolarHBondContact OD2-NZ 2.87Å
490	Y	98.3	Very high	97.7	Very high	61 Å²	61	28.3 Å²	28.3	24%	0.239	16%	0.16	C	C	.	.			trans	-59.3	145.9	172.3	-68	-95.3	0	0	0	111.3	L136 T403 E405 H438 N488	L136-Y490 HydrophobicContact CB-CD1 4.24Å; L136-Y490 HydrophobicContact CB-CE1 3.75Å; L136-Y490 WeakPolarHBondContact O-CE1 3.39Å; L136-Y490 PolarHBondContact O-OH 2.7Å; T403-Y490 HydrophobicContact CG2-CD1 4.28Å; E405-Y490 HydrophobicContact CB-CD1 4.36Å; E405-Y490 HydrophobicContact CG-CD1 4.43Å; E405-Y490 WeakPolarHBondContact OE1-CA 3.34Å; H438-Y490 WeakPolarHBondContact CB-O 3.28Å; H438-Y490 PolarHBondContact ND1-O 3.05Å; N488-Y490 PolarHBondContact O-N 3.48Å
491	K	98.8	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.			trans	-118.6	161.4	-176.7	-58.6	-64.8	-171.8	174.7	0	112.2	T403 F404 E405 H438 D439 N477 G479 R480 D489	T403-K491 WeakPolarHBondContact CA-O 3.42Å; F404-K491 HydrophobicContact CB-CB 3.89Å; F404-K491 HydrophobicContact CD1-CB 4.21Å; F404-K491 HydrophobicContact CD2-CB 4.13Å; F404-K491 WeakPolarHBondContact CD2-O 3.44Å; F404-K491 HydrophobicContact CG-CB 3.82Å; F404-K491 PolarHBondContact N-O 3.47Å; E405-K491 PolarHBondContact OE1-N 2.85Å; E405-K491 PolarHBondContact OE2-N 3.18Å; E405-K491 VanDerWaalsContact OE2-N 3.16Å; H438-K491 HydrophobicContact CB-CD 4.25Å; D439-K491 IonicContact OD1-NZ 3.64Å; D439-K491 PolarHBondContact OD1-NZ 3.19Å; D439-K491 IonicContact OD2-NZ 3.24Å; D439-K491 PolarHBondContact OD2-NZ 2.8Å; N477-K491 HydrophobicContact CB-CB 4.14Å; N477-K491 HydrophobicContact CB-CD 4.45Å; N477-K491 HydrophobicContact CB-CG 4.12Å; N477-K491 WeakPolarHBondContact OD1-CD 3.14Å; N477-K491 WeakPolarHBondContact OD1-CE 3.34Å; G479-K491 PolarHBondContact O-NZ 2.87Å; R480-K491 HydrophobicContact CG-CD 4.36Å; R480-K491 HydrophobicContact CG-CG 4.06Å; D489-K491 WeakPolarHBondContact OD2-CE 3.24Å; D489-K491 IonicContact OD2-NZ 2.9Å; D489-K491 PolarHBondContact OD2-NZ 2.87Å
492	G	98.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.4	-149.2	-176.1	0	0	0	0	0	113.2	Y416 H438 V494	Y416-G492 WeakPolarHBondContact OH-CA 3.33Å; H438-G492 PolarHBondContact N-O 2.94Å; H438-G492 PolarHBondContact O-N 2.97Å; G492-V494 PolarHBondContact O-N 3.46Å
493	L	98.8	Very high	97.3	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96.5	169.8	-62	-175	0	0	0	108.9	P401 Y416 G436 V437 V475 S495 L497 W507	P401-L493 HydrophobicContact CB-CB 3.58Å; P401-L493 HydrophobicContact CB-CD1 4.16Å; P401-L493 HydrophobicContact CB-CG 4.49Å; P401-L493 HydrophobicContact CG-CB 4.13Å; P401-L493 HydrophobicContact CG-CD1 4.17Å; Y416-L493 HydrophobicContact CD1-CB 4.38Å; Y416-L493 HydrophobicContact CD1-CD1 3.74Å; Y416-L493 HydrophobicContact CD1-CG 4.09Å; Y416-L493 HydrophobicContact CD2-CD1 4.14Å; Y416-L493 HydrophobicContact CD2-CG 4.05Å; Y416-L493 HydrophobicContact CE1-CB 4.04Å; Y416-L493 HydrophobicContact CE1-CD1 4.25Å; Y416-L493 HydrophobicContact CE1-CG 4.13Å; Y416-L493 HydrophobicContact CE2-CG 4.09Å; Y416-L493 HydrophobicContact CG-CD1 3.68Å; Y416-L493 HydrophobicContact CG-CG 4.05Å; Y416-L493 PolarHBondContact OH-N 2.96Å; G436-L493 CarbonylContact O-C 3.54Å; G436-L493 WeakPolarHBondContact O-CA 3.21Å; V437-L493 HydrophobicContact CG2-CD2 3.88Å; V475-L493 HydrophobicContact CG2-CD2 3.83Å; V475-L493 HydrophobicContact CG2-CG 4.02Å; L493-S495 VanDerWaalsContact C-N 3.31Å; L493-L497 HydrophobicContact CD1-CD1 3.93Å; L493-L497 HydrophobicContact CD1-CG 4.36Å; L493-L497 HydrophobicContact CD2-CD1 4.18Å; L493-L497 HydrophobicContact CD2-CG 4.48Å; L493-W507 HydrophobicContact CD1-CH2 4.17Å; L493-W507 HydrophobicContact CD1-CZ3 4.36Å
494	V	98.2	Very high	97.3	Very high	55 Å²	55	41.3 Å²	41.3	33%	0.333	23%	0.226	S	C	.	.			trans	-86.4	-4.3	-176.9	-55.5	0	0	0	0	113	T403 G436 H438 G492	T403-V494 HydrophobicContact CG2-CB 4.48Å; T403-V494 HydrophobicContact CG2-CG1 4.03Å; G436-V494 VanDerWaalsContact CA-CG2 3.41Å; G436-V494 PolarHBondContact O-N 2.94Å; H438-V494 HydrophobicContact CB-CG1 4.18Å; G492-V494 PolarHBondContact O-N 3.46Å
495	S	98.3	Very high	97.4	Very high	21 Å²	21	42.3 Å²	42.3	15%	0.147	23%	0.228	C	C	.	.	S	Bend	trans	-146.2	164.9	169.9	74.7	0	0	0	0	110.8	G436 L493	G436-S495 WeakPolarHBondContact CA-OG 3.45Å; L493-S495 VanDerWaalsContact C-N 3.31Å
496	N	98.5	Very high	97.6	Very high	59 Å²	59	44.3 Å²	44.3	32%	0.316	23%	0.234	S	C	.	.			trans	-60.7	147.4	175.9	-66.9	-37.3	0	0	0	112.6	Y400 P401 P433 V503	Y400-N496 WeakPolarHBondContact CD1-OD1 3.48Å; P401-N496 VanDerWaalsContact CD-OD1 3.31Å; P401-N496 WeakPolarHBondContact CD-OD1 3.43Å; P433-N496 WeakPolarHBondContact CD-O 3.33Å; N496-V503 HydrophobicContact CB-CG1 3.88Å
497	L	98.5	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.			trans	-95.6	146.7	166.9	-62.2	-179	0	0	0	110.4	L430 I431 V437 L453 I473 L493 L504 W507	L430-L497 HydrophobicContact CD1-CB 4.12Å; L430-L497 HydrophobicContact CD1-CD1 4.34Å; I431-L497 WeakPolarHBondContact O-CA 3.23Å; V437-L497 HydrophobicContact CG2-CD2 4.19Å; L453-L497 HydrophobicContact CD1-CD2 4.31Å; I473-L497 HydrophobicContact CD1-CD1 3.28Å; L493-L497 HydrophobicContact CD1-CD1 3.93Å; L493-L497 HydrophobicContact CD1-CG 4.36Å; L493-L497 HydrophobicContact CD2-CD1 4.18Å; L493-L497 HydrophobicContact CD2-CG 4.48Å; L497-L504 HydrophobicContact CB-CD1 4.24Å; L497-L504 PolarHBondContact O-N 3.4Å; L497-W507 HydrophobicContact CD1-CH2 4.27Å
498	I	98.4	Very high	97.8	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.226	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	177.8	-59.3	179.2	0	0	0	108.7	L430 I431 P433 D502 V503	L430-I498 CarbonylContact C-O 3.57Å; L430-I498 WeakPolarHBondContact CA-O 3.42Å; I431-I498 HydrophobicContact CB-CB 4.38Å; I431-I498 PolarHBondContact N-O 2.93Å; I431-I498 PolarHBondContact O-N 3.47Å; P433-I498 HydrophobicContact CB-CD1 4.23Å; P433-I498 HydrophobicContact CG-CD1 3.75Å; P433-I498 HydrophobicContact CG-CG1 4.11Å; I498-D502 CarbonylContact C-O 3.55Å; I498-D502 WeakPolarHBondContact CA-O 3.31Å; I498-V503 HydrophobicContact CG1-CG2 4.37Å
499	L	98.1	Very high	98	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.4	172.5	-176.1	66.8	0	0	0	109	L420 P421 L424 T428 P429 L430 V463 K501 D502 L504	L420-L499 HydrophobicContact CD2-CD2 3.94Å; P421-L499 HydrophobicContact CG-CD2 4.37Å; L424-L499 HydrophobicContact CD1-CD1 4.32Å; L424-L499 HydrophobicContact CD1-CD2 3.88Å; L424-L499 HydrophobicContact CD1-CG 4.43Å; T428-L499 HydrophobicContact CG2-CD1 4.04Å; T428-L499 HydrophobicContact CG2-CG 4.17Å; P429-L499 CarbonylContact O-C 3.57Å; P429-L499 WeakPolarHBondContact O-CA 3.16Å; L430-L499 HydrophobicContact CB-CD1 4.07Å; L430-L499 HydrophobicContact CD1-CB 4.46Å; L430-L499 HydrophobicContact CD1-CD1 4.34Å; V463-L499 HydrophobicContact CB-CD1 4.46Å; L499-K501 PolarHBondContact O-N 3.22Å; L499-D502 PolarHBondContact N-O 3.31Å; L499-D502 PolarHBondContact O-N 3.04Å; L499-L504 HydrophobicContact CB-CD1 4.26Å; L499-L504 HydrophobicContact CB-CD2 3.9Å; L499-L504 HydrophobicContact CB-CG 4.04Å; L499-L504 HydrophobicContact CD2-CD2 4.1Å
500	G	95.7	Very high	98	Very high	30 Å²	30	42.2 Å²	42.2	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-97.3	-170.8	0	0	0	0	0	111.1	P429	P429-G500 PolarHBondContact O-N 2.9Å
501	K	93.2	Very high	98	Very high	198 Å²	198	40.8 Å²	40.8	86%	0.861	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-6.9	176.9	-61.9	-179.8	-176.2	175.8	0	113.1	L499	L499-K501 PolarHBondContact O-N 3.22Å
502	D	96.1	Very high	97.9	Very high	66 Å²	66	41.3 Å²	41.3	35%	0.353	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.5	-171.1	-57.2	-52.7	0	0	0	110.4	P421 H422 I498 L499 L504	P421-D502 HydrophobicContact CG-CB 4.43Å; H422-D502 IonicContact CD2-OD2 3.76Å; H422-D502 PolarHBondContact CD2-OD2 3.42Å; H422-D502 IonicContact NE2-OD2 3.38Å; H422-D502 PolarHBondContact NE2-OD2 3.07Å; I498-D502 CarbonylContact C-O 3.55Å; I498-D502 WeakPolarHBondContact CA-O 3.31Å; L499-D502 PolarHBondContact N-O 3.31Å; L499-D502 PolarHBondContact O-N 3.04Å; D502-L504 PolarHBondContact O-N 3.34Å
503	V	98.1	Very high	97.9	Very high	71 Å²	71	44.3 Å²	44.3	43%	0.43	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.8	167.7	179.5	0	0	0	0	107.6	Y400 N496 I498 T505	Y400-V503 HydrophobicContact CE1-CG1 4.41Å; N496-V503 HydrophobicContact CB-CG1 3.88Å; I498-V503 HydrophobicContact CG1-CG2 4.37Å; V503-T505 PolarHBondContact O-N 3.47Å
504	L	98.3	Very high	97.8	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71.5	126.4	179.6	-69.3	178.1	0	0	0	111	T418 L430 L471 L497 L499 D502 W507	T418-L504 HydrophobicContact CG2-CD1 4.39Å; T418-L504 HydrophobicContact CG2-CD2 4.5Å; L430-L504 HydrophobicContact CD1-CD1 3.66Å; L471-L504 HydrophobicContact CD2-CD1 3.7Å; L497-L504 HydrophobicContact CB-CD1 4.24Å; L497-L504 PolarHBondContact O-N 3.4Å; L499-L504 HydrophobicContact CB-CD1 4.26Å; L499-L504 HydrophobicContact CB-CD2 3.9Å; L499-L504 HydrophobicContact CB-CG 4.04Å; L499-L504 HydrophobicContact CD2-CD2 4.1Å; D502-L504 PolarHBondContact O-N 3.34Å; L504-W507 HydrophobicContact CB-CH2 4.43Å; L504-W507 HydrophobicContact CB-CZ2 3.67Å; L504-W507 HydrophobicContact CD1-CH2 4.28Å; L504-W507 HydrophobicContact CD1-CZ2 4.28Å; L504-W507 PolarHBondContact O-NE1 2.85Å
505	T	98.5	Very high	97.8	Very high	40 Å²	40	44.9 Å²	44.9	25%	0.245	24%	0.238	C	C	.	.			trans	-120.2	-178.5	179.3	57.9	0	0	0	0	111.8	K399 Y400 T418 V503	K399-T505 HydrophobicContact CG-CG2 4.5Å; K399-T505 CarbonylContact O-C 3.53Å; K399-T505 VanDerWaalsContact O-CA 3.22Å; K399-T505 WeakPolarHBondContact O-CA 3.43Å; K399-T505 WeakPolarHBondContact O-CB 3.42Å; Y400-T505 HydrophobicContact CD1-CG2 4.37Å; Y400-T505 HydrophobicContact CE1-CG2 3.89Å; T418-T505 PolarHBondContact OG1-O 3.4Å; V503-T505 PolarHBondContact O-N 3.47Å
506	D	98.3	Very high	97.7	Very high	113 Å²	113	44.4 Å²	44.4	60%	0.604	24%	0.236	S	C	*	.			trans	62.1	57.4	167.2	-50.8	-58.7	0	0	0	112.9	K399	K399-D506 PolarHBondContact O-N 2.99Å
507	W	98.8	Very high	97.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.8	-176.1	-65.4	90.6	0	0	0	112.2	Q397 S398 P401 R417 T418 I473 L493 L497 L504 I509	Q397-W507 CarbonylContact C-O 3.58Å; Q397-W507 WeakPolarHBondContact CA-O 3.33Å; S398-W507 PolarHBondContact N-O 3.35Å; S398-W507 PolarHBondContact O-N 3.44Å; P401-W507 HydrophobicContact CG-CD2 4.29Å; P401-W507 HydrophobicContact CG-CG 4.42Å; P401-W507 HydrophobicContact CG-CZ2 4.16Å; R417-W507 CarbonylContact O-C 3.55Å; R417-W507 WeakPolarHBondContact O-CA 3.25Å; T418-W507 HydrophobicContact CG2-CE3 4.17Å; T418-W507 HydrophobicContact CG2-CH2 3.85Å; T418-W507 HydrophobicContact CG2-CZ2 4.23Å; T418-W507 HydrophobicContact CG2-CZ3 3.8Å; I473-W507 HydrophobicContact CD1-CH2 3.83Å; I473-W507 HydrophobicContact CD1-CZ3 4.16Å; L493-W507 HydrophobicContact CD1-CH2 4.17Å; L493-W507 HydrophobicContact CD1-CZ3 4.36Å; L497-W507 HydrophobicContact CD1-CH2 4.27Å; L504-W507 HydrophobicContact CB-CH2 4.43Å; L504-W507 HydrophobicContact CB-CZ2 3.67Å; L504-W507 HydrophobicContact CD1-CH2 4.28Å; L504-W507 HydrophobicContact CD1-CZ2 4.28Å; L504-W507 PolarHBondContact O-NE1 2.85Å; W507-I509 HydrophobicContact CB-CD1 4.35Å; W507-I509 HydrophobicContact CB-CG1 3.99Å
508	K	98.8	Very high	97.4	Very high	93 Å²	93	42.2 Å²	42.2	40%	0.404	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.7	159.2	-69.3	178.1	-177.7	176.4	0	107.9	P395 Q397 R417 Y510	P395-K508 HydrophobicContact CB-CB 3.85Å; P395-K508 HydrophobicContact CB-CG 4.46Å; P395-K508 HydrophobicContact CG-CB 4.3Å; P395-K508 HydrophobicContact CG-CG 4.46Å; Q397-K508 HydrophobicContact CG-CG 4.27Å; R417-K508 HydrophobicContact CB-CB 4.21Å; R417-K508 PolarHBondContact N-O 2.85Å; R417-K508 PolarHBondContact O-N 2.83Å; K508-Y510 HydrophobicContact CB-CE2 3.81Å
509	I	98.8	Very high	97.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.6	-173.1	-50	173.8	0	0	0	108.5	P395 V396 L402 M407 M414 L415 Y416 W507 P511	P395-I509 CarbonylContact C-O 3.45Å; P395-I509 VanDerWaalsContact CA-O 3.26Å; P395-I509 WeakPolarHBondContact CA-O 3.33Å; V396-I509 PolarHBondContact N-O 3.07Å; V396-I509 PolarHBondContact O-N 2.95Å; L402-I509 HydrophobicContact CB-CD1 3.7Å; L402-I509 HydrophobicContact CD1-CD1 4.17Å; L402-I509 HydrophobicContact CG-CD1 3.82Å; L402-I509 VanDerWaalsContact N-CD1 3.33Å; M407-I509 HydrophobicContact CE-CB 4.13Å; M407-I509 HydrophobicContact CE-CG2 3.91Å; M407-I509 HydrophobicContact CG-CG2 4.05Å; M407-I509 HydrophobicContact SD-CB 4.25Å; M407-I509 HydrophobicContact SD-CG2 4.06Å; M414-I509 HydrophobicContact CG-CG2 3.84Å; M414-I509 HydrophobicContact SD-CG2 3.52Å; M414-I509 VanDerWaalsContact SD-CG2 3.52Å; L415-I509 WeakPolarHBondContact O-CA 3.29Å; Y416-I509 HydrophobicContact CD1-CD1 4.14Å; Y416-I509 HydrophobicContact CD1-CG1 3.89Å; Y416-I509 HydrophobicContact CD1-CG2 3.98Å; Y416-I509 HydrophobicContact CE1-CD1 4.05Å; Y416-I509 HydrophobicContact CE1-CG1 4.21Å; Y416-I509 HydrophobicContact CE1-CG2 3.83Å; W507-I509 HydrophobicContact CB-CD1 4.35Å; W507-I509 HydrophobicContact CB-CG1 3.99Å; I509-P511 WeakPolarHBondContact O-CD 3.36Å
510	Y	98.7	Very high	97	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.9	-176	-64.3	-100	0	0	0	109.9	L387 P395 L415 R417 K508	L387-Y510 HydrophobicContact CD1-CD1 4.13Å; L387-Y510 HydrophobicContact CD1-CE1 3.88Å; L387-Y510 HydrophobicContact CD1-CE2 4.33Å; L387-Y510 HydrophobicContact CD1-CG 4.45Å; L387-Y510 HydrophobicContact CD2-CD1 4.04Å; L387-Y510 HydrophobicContact CD2-CG 4.13Å; P395-Y510 HydrophobicContact CB-CD1 3.82Å; P395-Y510 HydrophobicContact CB-CD2 3.89Å; P395-Y510 HydrophobicContact CB-CE1 3.61Å; P395-Y510 HydrophobicContact CB-CE2 3.66Å; P395-Y510 HydrophobicContact CB-CG 3.96Å; P395-Y510 VanDerWaalsContact CD-CE1 3.42Å; P395-Y510 HydrophobicContact CG-CD1 4.29Å; P395-Y510 HydrophobicContact CG-CE1 3.63Å; P395-Y510 HydrophobicContact CG-CE2 4.16Å; L415-Y510 HydrophobicContact CD2-CD2 4.07Å; L415-Y510 HydrophobicContact CG-CD2 4.4Å; L415-Y510 PolarHBondContact N-O 3.19Å; L415-Y510 VanDerWaalsContact N-O 3.08Å; L415-Y510 PolarHBondContact O-N 2.88Å; R417-Y510 HydrophobicContact CB-CE2 4.1Å; K508-Y510 HydrophobicContact CB-CE2 3.81Å
511	P	97.8	Very high	96.6	Very high	30 Å²	30	51.1 Å²	51.1	20%	0.195	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.1	164.6	29.3	-31.1	0	0	0	109.7	S391 M407 Q409 I509	S391-P511 VanDerWaalsContact CB-O 3.29Å; S391-P511 WeakPolarHBondContact CB-O 3.29Å; S391-P511 PolarHBondContact OG-O 2.74Å; M407-P511 HydrophobicContact CE-CG 4.2Å; Q409-P511 HydrophobicContact CB-CB 4.35Å; Q409-P511 VanDerWaalsContact OE1-C 3.26Å; I509-P511 WeakPolarHBondContact O-CD 3.36Å
512	L	98.3	Very high	96.6	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.058	23%	0.23	C	C	.	.			trans	-110.8	103.4	-174.1	-50.5	-177.6	0	0	0	111.4	I383 L387 I390 Y413 L415 L474 I514	I383-L512 HydrophobicContact CG2-CD1 4.21Å; L387-L512 HydrophobicContact CD2-CD2 3.95Å; I390-L512 HydrophobicContact CD1-CD1 4.4Å; I390-L512 HydrophobicContact CD1-CD2 4.18Å; I390-L512 HydrophobicContact CG1-CD2 4.2Å; I390-L512 CarbonylContact O-C 3.47Å; I390-L512 VanDerWaalsContact O-CA 3.29Å; I390-L512 WeakPolarHBondContact O-CA 3.37Å; Y413-L512 WeakPolarHBondContact O-CB 3.29Å; Y413-L512 WeakPolarHBondContact O-CG 3.36Å; L415-L512 HydrophobicContact CB-CD1 4.47Å; L415-L512 HydrophobicContact CB-CD2 4.42Å; L474-L512 HydrophobicContact CD1-CD1 3.55Å; L512-I514 HydrophobicContact CB-CD1 4.18Å; L512-I514 HydrophobicContact CB-CG1 4.04Å; L512-I514 PolarHBondContact O-N 3.43Å
513	D	97	Very high	96.1	Very high	63 Å²	63	40.4 Å²	40.4	34%	0.337	22%	0.22	S	C	.	.			trans	-79	60.7	172.1	-177.6	34.1	0	0	0	111.6	I390 G516 A517 R520	I390-D513 PolarHBondContact O-N 3.28Å; D513-G516 WeakPolarHBondContact OD1-CA 3.32Å; D513-G516 PolarHBondContact OD1-N 3.21Å; D513-A517 WeakPolarHBondContact O-CB 3.25Å; D513-A517 PolarHBondContact O-N 2.92Å; D513-R520 IonicContact OD2-CZ 3.72Å; D513-R520 VanDerWaalsContact OD2-CZ 3.32Å; D513-R520 IonicContact OD2-NH1 3.49Å; D513-R520 PolarHBondContact OD2-NH1 2.85Å; D513-R520 IonicContact OD2-NH2 3.34Å; D513-R520 PolarHBondContact OD2-NH2 2.74Å
514	I	98.1	Very high	95.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-49.5	-178.5	-62.1	167.1	0	0	0	110.6	I390 Y413 L512 G516 A517 I518 F544 W571 L608	I390-I514 HydrophobicContact CB-CG1 4.34Å; I390-I514 HydrophobicContact CG2-CG1 4.44Å; Y413-I514 HydrophobicContact CD2-CD1 3.8Å; L512-I514 HydrophobicContact CB-CD1 4.18Å; L512-I514 HydrophobicContact CB-CG1 4.04Å; L512-I514 PolarHBondContact O-N 3.43Å; I514-G516 VanDerWaalsContact C-N 3.32Å; I514-G516 PolarHBondContact O-N 2.88Å; I514-A517 PolarHBondContact O-N 2.67Å; I514-I518 HydrophobicContact CG2-CD1 3.8Å; I514-I518 HydrophobicContact CG2-CG1 4.45Å; I514-I518 WeakPolarHBondContact O-CG1 3.46Å; I514-I518 PolarHBondContact O-N 2.94Å; I514-F544 HydrophobicContact CD1-CZ 3.95Å; I514-F544 HydrophobicContact CG1-CZ 4.04Å; I514-F544 HydrophobicContact CG2-CE1 3.91Å; I514-F544 HydrophobicContact CG2-CZ 3.89Å; I514-W571 HydrophobicContact CG2-CH2 3.74Å; I514-W571 HydrophobicContact CG2-CZ2 3.65Å; I514-L608 HydrophobicContact CD1-CD2 4.22Å
515	D	97.1	Very high	94	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-39.8	179.3	-67.6	-28.7	0	0	0	111.5	Y312 I518 S519 W571 N576	Y312-D515 WeakPolarHBondContact CE2-OD2 3.4Å; D515-I518 PolarHBondContact O-N 2.68Å; D515-S519 WeakPolarHBondContact O-CB 3.4Å; D515-S519 PolarHBondContact O-N 3.01Å; D515-S519 PolarHBondContact O-OG 2.76Å; D515-W571 PolarHBondContact OD1-NE1 2.88Å; D515-N576 PolarHBondContact OD1-ND2 2.97Å
516	G	95.9	Very high	92	Very high	10 Å²	10	45.8 Å²	45.8	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-40.8	174.7	0	0	0	0	0	112.5	D513 I514 I518 S519 R520	D513-G516 WeakPolarHBondContact OD1-CA 3.32Å; D513-G516 PolarHBondContact OD1-N 3.21Å; I514-G516 VanDerWaalsContact C-N 3.32Å; I514-G516 PolarHBondContact O-N 2.88Å; G516-I518 VanDerWaalsContact C-N 3.34Å; G516-I518 PolarHBondContact O-N 2.86Å; G516-S519 WeakPolarHBondContact CA-OG 3.32Å; G516-S519 PolarHBondContact O-OG 2.98Å; G516-R520 VanDerWaalsContact C-NH1 3.27Å; G516-R520 WeakPolarHBondContact O-CB 3.4Å; G516-R520 VanDerWaalsContact O-CG 3.26Å; G516-R520 WeakPolarHBondContact O-CG 3.27Å; G516-R520 PolarHBondContact O-N 2.85Å; G516-R520 PolarHBondContact O-NE 2.99Å; G516-R520 PolarHBondContact O-NH1 2.61Å
517	A	96.3	Very high	89.6	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-44.8	174.6	0	0	0	0	0	111.3	T389 I390 D513 I514 R520 G521 W522	T389-A517 HydrophobicContact CG2-CB 4.34Å; I390-A517 HydrophobicContact CG2-CB 4.18Å; D513-A517 WeakPolarHBondContact O-CB 3.25Å; D513-A517 PolarHBondContact O-N 2.92Å; I514-A517 PolarHBondContact O-N 2.67Å; A517-R520 PolarHBondContact O-N 2.82Å; A517-G521 PolarHBondContact O-N 3.16Å; A517-W522 HydrophobicContact CB-CE3 4.13Å; A517-W522 WeakPolarHBondContact O-CB 3.36Å; A517-W522 PolarHBondContact O-N 2.88Å; A517-W522 VanDerWaalsContact O-N 3.09Å
518	I	96.3	Very high	86.8	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-44.7	-179.5	-63.6	171	0	0	0	111.8	I514 D515 G516 R520 G521 W522 W571 T606	I514-I518 HydrophobicContact CG2-CD1 3.8Å; I514-I518 HydrophobicContact CG2-CG1 4.45Å; I514-I518 WeakPolarHBondContact O-CG1 3.46Å; I514-I518 PolarHBondContact O-N 2.94Å; D515-I518 PolarHBondContact O-N 2.68Å; G516-I518 VanDerWaalsContact C-N 3.34Å; G516-I518 PolarHBondContact O-N 2.86Å; I518-R520 VanDerWaalsContact C-N 3.26Å; I518-R520 PolarHBondContact O-N 2.82Å; I518-G521 WeakPolarHBondContact O-CA 3.19Å; I518-G521 PolarHBondContact O-N 2.7Å; I518-W522 VanDerWaalsContact CA-O 3.25Å; I518-W522 WeakPolarHBondContact CA-O 3.47Å; I518-W522 HydrophobicContact CD1-CZ3 4.49Å; I518-W522 HydrophobicContact CG1-CE3 3.8Å; I518-W522 HydrophobicContact CG1-CZ3 3.97Å; I518-W571 HydrophobicContact CD1-CB 4.27Å; I518-W571 HydrophobicContact CD1-CD2 3.44Å; I518-W571 VanDerWaalsContact CD1-CD2 3.44Å; I518-W571 HydrophobicContact CD1-CE3 3.84Å; I518-W571 HydrophobicContact CD1-CG 3.63Å; I518-W571 HydrophobicContact CD1-CZ2 4.19Å; I518-W571 HydrophobicContact CD1-CZ3 4.36Å; I518-W571 HydrophobicContact CG2-CB 4.4Å; I518-W571 HydrophobicContact CG2-CG 4.48Å; I518-T606 HydrophobicContact CD1-CG2 3.83Å; I518-T606 HydrophobicContact CG1-CG2 4.35Å
519	S	93.2	Very high	84.1	Confident	87 Å²	87	54.2 Å²	54.2	61%	0.608	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-28	177.5	56.5	0	0	0	0	113.3	D515 G516 G521	D515-S519 WeakPolarHBondContact O-CB 3.4Å; D515-S519 PolarHBondContact O-N 3.01Å; D515-S519 PolarHBondContact O-OG 2.76Å; G516-S519 WeakPolarHBondContact CA-OG 3.32Å; G516-S519 PolarHBondContact O-OG 2.98Å; S519-G521 PolarHBondContact O-N 2.76Å
520	R	93	Very high	81.2	Confident	149 Å²	149	59.9 Å²	59.9	56%	0.562	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	1.1	169.4	-69.4	-176.3	-60.9	-93.1	5.9	113.7	D513 G516 A517 I518	D513-R520 IonicContact OD2-CZ 3.72Å; D513-R520 VanDerWaalsContact OD2-CZ 3.32Å; D513-R520 IonicContact OD2-NH1 3.49Å; D513-R520 PolarHBondContact OD2-NH1 2.85Å; D513-R520 IonicContact OD2-NH2 3.34Å; D513-R520 PolarHBondContact OD2-NH2 2.74Å; G516-R520 VanDerWaalsContact C-NH1 3.27Å; G516-R520 WeakPolarHBondContact O-CB 3.4Å; G516-R520 VanDerWaalsContact O-CG 3.26Å; G516-R520 WeakPolarHBondContact O-CG 3.27Å; G516-R520 PolarHBondContact O-N 2.85Å; G516-R520 PolarHBondContact O-NE 2.99Å; G516-R520 PolarHBondContact O-NH1 2.61Å; A517-R520 PolarHBondContact O-N 2.82Å; I518-R520 VanDerWaalsContact C-N 3.26Å; I518-R520 PolarHBondContact O-N 2.82Å
521	G	88.6	Confident	78.6	Confident	27 Å²	27	63.1 Å²	63.1	28%	0.278	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	4.5	173.1	0	0	0	0	0	114.8	A517 I518 S519 H524 S525	A517-G521 PolarHBondContact O-N 3.16Å; I518-G521 WeakPolarHBondContact O-CA 3.19Å; I518-G521 PolarHBondContact O-N 2.7Å; S519-G521 PolarHBondContact O-N 2.76Å; G521-H524 PolarHBondContact O-N 2.88Å; G521-H524 VanDerWaalsContact O-N 3.09Å; G521-S525 VanDerWaalsContact O-CB 3.24Å; G521-S525 WeakPolarHBondContact O-CB 3.49Å; G521-S525 PolarHBondContact O-N 3.22Å; G521-S525 PolarHBondContact O-OG 2.98Å
522	W	91.9	Very high	75.9	Confident	20 Å²	20	67.2 Å²	67.2	8%	0.076	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	146.4	168.9	175	86.7	0	0	0	109.6	I380 L386 T389 I390 A517 I518 F544 T606	I380-W522 HydrophobicContact CG2-CZ2 4.14Å; L386-W522 HydrophobicContact CD1-CH2 4.3Å; L386-W522 HydrophobicContact CD1-CZ2 3.85Å; L386-W522 HydrophobicContact CD2-CZ2 4.22Å; T389-W522 HydrophobicContact CG2-CB 4.29Å; T389-W522 HydrophobicContact CG2-CD2 3.9Å; T389-W522 HydrophobicContact CG2-CG 3.66Å; I390-W522 HydrophobicContact CG2-CH2 4.25Å; I390-W522 HydrophobicContact CG2-CZ3 4.21Å; A517-W522 HydrophobicContact CB-CE3 4.13Å; A517-W522 WeakPolarHBondContact O-CB 3.36Å; A517-W522 PolarHBondContact O-N 2.88Å; A517-W522 VanDerWaalsContact O-N 3.09Å; I518-W522 VanDerWaalsContact CA-O 3.25Å; I518-W522 WeakPolarHBondContact CA-O 3.47Å; I518-W522 HydrophobicContact CD1-CZ3 4.49Å; I518-W522 HydrophobicContact CG1-CE3 3.8Å; I518-W522 HydrophobicContact CG1-CZ3 3.97Å; W522-F544 HydrophobicContact CH2-CB 4.1Å; W522-F544 AromaticContact CH2-CD1 3.63Å; W522-F544 HydrophobicContact CH2-CD1 3.63Å; W522-F544 AromaticContact CH2-CD2 3.82Å; W522-F544 HydrophobicContact CH2-CD2 3.82Å; W522-F544 AromaticContact CH2-CE1 3.87Å; W522-F544 HydrophobicContact CH2-CE1 3.87Å; W522-F544 HydrophobicContact CH2-CE2 4.03Å; W522-F544 AromaticContact CH2-CG 3.58Å; W522-F544 HydrophobicContact CH2-CG 3.58Å; W522-F544 HydrophobicContact CH2-CZ 4.06Å; W522-F544 HydrophobicContact CZ2-CG 4.4Å; W522-F544 HydrophobicContact CZ3-CD1 4.08Å; W522-F544 HydrophobicContact CZ3-CE1 4Å; W522-F544 HydrophobicContact CZ3-CG 4.47Å; W522-F544 HydrophobicContact CZ3-CZ 4.33Å; W522-T606 HydrophobicContact CZ3-CG2 4.48Å
523	P	87	Confident	73.2	Confident	20 Å²	20	71.3 Å²	71.3	13%	0.13	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	cis	-83.1	-6.4	-5.1	33.6	-36.3	0	0	0	114.9	I380 S525 T546 T606	I380-P523 HydrophobicContact CD1-CB 3.43Å; I380-P523 VanDerWaalsContact CD1-CB 3.43Å; I380-P523 HydrophobicContact CD1-CG 3.41Å; I380-P523 VanDerWaalsContact CD1-CG 3.41Å; I380-P523 HydrophobicContact CG1-CB 4.39Å; P523-S525 PolarHBondContact O-N 2.83Å; P523-T546 HydrophobicContact CG-CG2 4.33Å; P523-T606 VanDerWaalsContact CD-OG1 3.28Å; P523-T606 WeakPolarHBondContact CD-OG1 3.33Å; P523-T606 HydrophobicContact CG-CG2 4.44Å
524	H	81.7	Confident	70.9	Confident	51 Å²	51	72 Å²	72	24%	0.236	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-18	-166.7	-57.6	78.6	0	0	0	115.9	G521 T546 G547 N604 I605 T606	G521-H524 PolarHBondContact O-N 2.88Å; G521-H524 VanDerWaalsContact O-N 3.09Å; H524-T546 PolarHBondContact CE1-OG1 3.07Å; H524-T546 PolarHBondContact NE2-OG1 3.11Å; H524-G547 PolarHBondContact NE2-O 3.15Å; H524-N604 VanDerWaalsContact CB-ND2 3.35Å; H524-N604 WeakPolarHBondContact CB-ND2 3.46Å; H524-N604 PolarHBondContact CD2-OD1 2.99Å; H524-N604 WeakPolarHBondContact NE2-CB 3.46Å; H524-I605 PolarHBondContact CE1-O 3.37Å; H524-T606 PolarHBondContact CE1-OG1 3.14Å
525	S	70.4	Confident	68.7	Low	69 Å²	69	80.3 Å²	80.3	48%	0.483	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-18.3	-179.3	57.7	0	0	0	0	114.6	G521 P523 S527	G521-S525 VanDerWaalsContact O-CB 3.24Å; G521-S525 WeakPolarHBondContact O-CB 3.49Å; G521-S525 PolarHBondContact O-N 3.22Å; G521-S525 PolarHBondContact O-OG 2.98Å; P523-S525 PolarHBondContact O-N 2.83Å; S525-S527 PolarHBondContact O-N 3.39Å
526	N	56.8	Low	66.7	Low	109 Å²	109	87.6 Å²	87.6	58%	0.583	49%	0.494	S	S	*	.			trans	-98.9	45.1	-173.9	-86.2	-17.3	0	0	0	113.1	G528	N526-G528 PolarHBondContact O-N 2.82Å
527	S	47.4	Very low	65.1	Low	122 Å²	122	93 Å²	93	85%	0.853	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-0.1	177.7	53.9	0	0	0	0	114.8	S525	S525-S527 PolarHBondContact O-N 3.39Å
528	G	40.8	Very low	63.6	Low	76 Å²	76	96 Å²	96	78%	0.784	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-8.2	-173.9	0	0	0	0	0	117.1	N526	N526-G528 PolarHBondContact O-N 2.82Å
529	K	41.5	Very low	62.7	Low	187 Å²	187	96 Å²	96	81%	0.813	54%	0.537	S	S	*	.	S	Bend	trans	-114.8	112.3	171.7	-74.2	-174.1	-179.5	178.4	0	108.2	V531	K529-V531 VanDerWaalsContact C-N 3.32Å; K529-V531 PolarHBondContact O-N 2.88Å
530	S	37.4	Very low	62.5	Low	118 Å²	118	95.4 Å²	95.4	83%	0.825	54%	0.537	S	S	*	.			trans	-47.4	95	173.9	179.4	0	0	0	0	110.3	T532	S530-T532 PolarHBondContact O-N 2.89Å
531	V	43.3	Very low	62.6	Low	93 Å²	93	88.3 Å²	88.3	56%	0.564	51%	0.511	S	S	*	.			trans	-63.9	121.7	148.1	-179.5	0	0	0	0	103.4	K529 S533	K529-V531 VanDerWaalsContact C-N 3.32Å; K529-V531 PolarHBondContact O-N 2.88Å; V531-S533 PolarHBondContact O-N 3.46Å
532	T	41.9	Very low	63	Low	116 Å²	116	87.5 Å²	87.5	71%	0.712	50%	0.5	S	S	*	.	S	Bend	trans	-34	127.5	173.8	44.2	0	0	0	0	110.4	S530	S530-T532 PolarHBondContact O-N 2.89Å
533	S	42.5	Very low	63.2	Low	98 Å²	98	86.7 Å²	86.7	69%	0.685	50%	0.497	S	S	*	.			trans	-22.1	127.3	-172.7	-48.1	0	0	0	0	114.4	V531 R535	V531-S533 PolarHBondContact O-N 3.46Å; S533-R535 PolarHBondContact O-N 2.9Å
534	P	47.3	Very low	63.7	Low	78 Å²	78	85.7 Å²	85.7	51%	0.506	49%	0.491	S	S	.	.			trans	-52.5	110	-177.6	18.7	-30.1	0	0	0	109.9	R536	P534-R536 PolarHBondContact O-N 2.82Å
535	R	51.9	Low	64.4	Low	177 Å²	177	83.3 Å²	83.3	67%	0.668	48%	0.48	S	S	*	.			trans	-80.1	116.7	175	-69.9	-168.7	-177.3	-161.6	3.2	107.4	S533 E537	S533-R535 PolarHBondContact O-N 2.9Å; R535-E537 PolarHBondContact O-N 3.19Å
536	R	55.7	Low	65.7	Low	219 Å²	219	81.1 Å²	81.1	83%	0.826	46%	0.464	S	S	*	.			trans	-76.4	33.5	172.9	-63.1	-177.2	178.5	177.5	-0.6	112.2	P534	P534-R536 PolarHBondContact O-N 2.82Å
537	E	61.6	Low	67.6	Low	123 Å²	123	76.3 Å²	76.3	58%	0.575	44%	0.44	S	S	*	.			trans	-104.9	128.7	-179.7	-71.1	-177.8	174.1	0	0	109.2	R535	R535-E537 PolarHBondContact O-N 3.19Å
538	P	66.2	Low	69.9	Low	66 Å²	66	72.8 Å²	72.8	43%	0.429	41%	0.413	S	S	.	.			trans	-57.1	146.7	175.1	25.1	-33.1	0	0	0	110.2	A613 A615	P538-A613 VanDerWaalsContact CB-O 3.23Å; P538-A613 WeakPolarHBondContact CB-O 3.19Å; P538-A615 HydrophobicContact CG-CB 4.35Å
539	S	77.1	Confident	72.6	Confident	12 Å²	12	69.7 Å²	69.7	8%	0.084	38%	0.379	C	S	.	.			trans	-110.3	142.9	173.6	65	0	0	0	0	111.2	T543 Y545 A613	S539-T543 VanDerWaalsContact OG-CB 3.29Å; S539-T543 WeakPolarHBondContact OG-CB 3.27Å; S539-T543 PolarHBondContact OG-OG1 3.2Å; S539-Y545 PolarHBondContact N-OH 2.89Å; S539-Y545 PolarHBondContact OG-OH 2.84Å; S539-A613 PolarHBondContact O-N 2.88Å
540	A	88.9	Confident	75.2	Confident	73 Å²	73	66.8 Å²	66.8	60%	0.603	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-82.8	138.1	157.2	0	0	0	0	0	109.2	F449	F449-A540 HydrophobicContact CB-CB 4.38Å; F449-A540 HydrophobicContact CD1-CB 4.13Å
541	G	93.9	Very high	77.9	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.01	34%	0.342	C	S	.	.	S	Bend	trans	80	-177	175.9	0	0	0	0	0	116.4	T543 L610 E611	G541-T543 PolarHBondContact O-N 3.25Å; G541-T543 PolarHBondContact O-OG1 2.76Å; G541-L610 CarbonylContact C-O 3.39Å; G541-L610 WeakPolarHBondContact CA-O 3.06Å; G541-E611 PolarHBondContact N-O 3.41Å
542	P	97.1	Very high	80.3	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.058	33%	0.334	C	S	.	.	S	Bend	trans	-58.9	114.3	-169.3	-28.4	37.4	0	0	0	115.2	N382 I383 Y442 L474 E609 L610	N382-P542 WeakPolarHBondContact CA-O 3.24Å; I383-P542 HydrophobicContact CG1-CB 3.81Å; Y442-P542 HydrophobicContact CD1-CG 4.43Å; Y442-P542 HydrophobicContact CD2-CG 4.32Å; Y442-P542 HydrophobicContact CG-CG 3.86Å; L474-P542 HydrophobicContact CD2-CB 3.6Å; L474-P542 HydrophobicContact CD2-CG 3.63Å; P542-E609 CarbonylContact C-O 3.57Å; P542-E609 WeakPolarHBondContact CA-O 3.25Å; P542-L610 HydrophobicContact CB-CD2 4.36Å; P542-L610 VanDerWaalsContact CD-O 3.26Å; P542-L610 WeakPolarHBondContact CD-O 3.36Å; P542-L610 HydrophobicContact CG-CD2 4.49Å
543	T	96.3	Very high	82.8	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.3	-175.2	-63.5	0	0	0	0	111.6	K379 S539 G541 Y545 E609	K379-T543 HydrophobicContact CD-CG2 4.12Å; K379-T543 HydrophobicContact CG-CG2 3.71Å; S539-T543 VanDerWaalsContact OG-CB 3.29Å; S539-T543 WeakPolarHBondContact OG-CB 3.27Å; S539-T543 PolarHBondContact OG-OG1 3.2Å; G541-T543 PolarHBondContact O-N 3.25Å; G541-T543 PolarHBondContact O-OG1 2.76Å; T543-Y545 HydrophobicContact CG2-CD2 4.16Å; T543-Y545 HydrophobicContact CG2-CE2 3.5Å; T543-Y545 VanDerWaalsContact CG2-CE2 3.5Å; T543-Y545 WeakPolarHBondContact O-CD2 3.33Å; T543-E609 PolarHBondContact N-O 2.92Å; T543-E609 PolarHBondContact O-N 3.17Å
544	F	97.3	Very high	85.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.5	172.6	-75	-83.2	0	0	0	112.1	I380 G381 I383 L386 I390 I514 W522 T606 L607 L608	I380-F544 HydrophobicContact CB-CB 4.16Å; I380-F544 WeakPolarHBondContact CB-O 3.38Å; I380-F544 HydrophobicContact CD1-CB 4.2Å; I380-F544 PolarHBondContact N-O 3.2Å; G381-F544 PolarHBondContact O-N 3.33Å; I383-F544 HydrophobicContact CD1-CD2 4.17Å; I383-F544 HydrophobicContact CD1-CE2 3.53Å; I383-F544 HydrophobicContact CD1-CZ 4.33Å; L386-F544 HydrophobicContact CD1-CB 4.22Å; L386-F544 HydrophobicContact CD1-CD2 3.57Å; L386-F544 HydrophobicContact CD1-CE2 4.34Å; L386-F544 HydrophobicContact CD1-CG 4.27Å; I390-F544 HydrophobicContact CD1-CE2 4.01Å; I514-F544 HydrophobicContact CD1-CZ 3.95Å; I514-F544 HydrophobicContact CG1-CZ 4.04Å; I514-F544 HydrophobicContact CG2-CE1 3.91Å; I514-F544 HydrophobicContact CG2-CZ 3.89Å; W522-F544 HydrophobicContact CH2-CB 4.1Å; W522-F544 AromaticContact CH2-CD1 3.63Å; W522-F544 HydrophobicContact CH2-CD1 3.63Å; W522-F544 AromaticContact CH2-CD2 3.82Å; W522-F544 HydrophobicContact CH2-CD2 3.82Å; W522-F544 AromaticContact CH2-CE1 3.87Å; W522-F544 HydrophobicContact CH2-CE1 3.87Å; W522-F544 HydrophobicContact CH2-CE2 4.03Å; W522-F544 AromaticContact CH2-CG 3.58Å; W522-F544 HydrophobicContact CH2-CG 3.58Å; W522-F544 HydrophobicContact CH2-CZ 4.06Å; W522-F544 HydrophobicContact CZ2-CG 4.4Å; W522-F544 HydrophobicContact CZ3-CD1 4.08Å; W522-F544 HydrophobicContact CZ3-CE1 4Å; W522-F544 HydrophobicContact CZ3-CG 4.47Å; W522-F544 HydrophobicContact CZ3-CZ 4.33Å; F544-T606 HydrophobicContact CD1-CG2 4.14Å; F544-L607 CarbonylContact C-O 3.28Å; F544-L607 WeakPolarHBondContact CA-O 3.45Å; F544-L608 HydrophobicContact CD1-CB 4.02Å; F544-L608 HydrophobicContact CD1-CD1 4.23Å; F544-L608 HydrophobicContact CD2-CD1 4.12Å; F544-L608 HydrophobicContact CE1-CB 3.79Å; F544-L608 HydrophobicContact CE1-CD1 4.12Å; F544-L608 HydrophobicContact CE1-CD2 4.31Å; F544-L608 HydrophobicContact CE1-CG 4.29Å; F544-L608 HydrophobicContact CE2-CD1 4.02Å; F544-L608 HydrophobicContact CG-CD1 4.25Å; F544-L608 HydrophobicContact CZ-CB 4.39Å; F544-L608 HydrophobicContact CZ-CD1 4.02Å; F544-L608 HydrophobicContact CZ-CD2 4.13Å; F544-L608 HydrophobicContact CZ-CG 4.41Å
545	Y	97.3	Very high	87.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.2	174	-64.1	-95.6	0	0	0	109.8	E378 K379 S539 T543 W565 L607 E609 A613 L617	E378-Y545 CarbonylContact O-C 3.47Å; E378-Y545 WeakPolarHBondContact O-CA 3.24Å; K379-Y545 HydrophobicContact CB-CD1 3.99Å; K379-Y545 HydrophobicContact CB-CE1 3.66Å; K379-Y545 HydrophobicContact CG-CE1 4.03Å; S539-Y545 PolarHBondContact N-OH 2.89Å; S539-Y545 PolarHBondContact OG-OH 2.84Å; T543-Y545 HydrophobicContact CG2-CD2 4.16Å; T543-Y545 HydrophobicContact CG2-CE2 3.5Å; T543-Y545 VanDerWaalsContact CG2-CE2 3.5Å; T543-Y545 WeakPolarHBondContact O-CD2 3.33Å; Y545-W565 HydrophobicContact CD1-CH2 4.06Å; Y545-W565 AromaticContact CD2-CH2 3.96Å; Y545-W565 HydrophobicContact CD2-CH2 3.96Å; Y545-W565 AromaticContact CD2-CZ3 3.77Å; Y545-W565 HydrophobicContact CD2-CZ3 3.77Å; Y545-W565 HydrophobicContact CE1-CH2 4.37Å; Y545-W565 HydrophobicContact CE2-CH2 4.29Å; Y545-W565 AromaticContact CE2-CZ3 3.91Å; Y545-W565 HydrophobicContact CE2-CZ3 3.91Å; Y545-W565 AromaticContact CG-CH2 3.86Å; Y545-W565 HydrophobicContact CG-CH2 3.86Å; Y545-W565 HydrophobicContact CG-CZ3 4.17Å; Y545-L607 PolarHBondContact N-O 3.38Å; Y545-L607 PolarHBondContact O-N 2.89Å; Y545-E609 HydrophobicContact CD2-CB 4.31Å; Y545-E609 HydrophobicContact CE2-CB 4.1Å; Y545-A613 HydrophobicContact CE1-CB 4.33Å; Y545-A613 HydrophobicContact CE2-CB 3.89Å; Y545-A613 WeakPolarHBondContact OH-CB 3.43Å; Y545-L617 HydrophobicContact CD1-CD2 4.01Å; Y545-L617 HydrophobicContact CE1-CD1 4.12Å; Y545-L617 HydrophobicContact CE1-CD2 3.43Å; Y545-L617 VanDerWaalsContact CE1-CD2 3.43Å; Y545-L617 HydrophobicContact CE1-CG 4.4Å
546	T	97.3	Very high	89.7	Confident	23 Å²	23	51.5 Å²	51.5	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.4	177.3	-177	0	0	0	0	111.8	L377 E378 I380 P523 H524 I605	L377-T546 CarbonylContact C-O 3.59Å; L377-T546 VanDerWaalsContact CA-O 3.24Å; L377-T546 WeakPolarHBondContact CA-O 3.47Å; E378-T546 PolarHBondContact N-O 2.88Å; E378-T546 PolarHBondContact O-N 3.22Å; I380-T546 HydrophobicContact CD1-CG2 3.62Å; I380-T546 HydrophobicContact CG1-CG2 3.68Å; P523-T546 HydrophobicContact CG-CG2 4.33Å; H524-T546 PolarHBondContact CE1-OG1 3.07Å; H524-T546 PolarHBondContact NE2-OG1 3.11Å; T546-I605 CarbonylContact C-O 3.54Å; T546-I605 VanDerWaalsContact CA-O 3.28Å; T546-I605 WeakPolarHBondContact CA-O 3.32Å; T546-I605 PolarHBondContact OG1-O 2.97Å
547	G	95.9	Very high	91.8	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-178.3	170.9	0	0	0	0	0	111	H524 I605	H524-G547 PolarHBondContact NE2-O 3.15Å; G547-I605 PolarHBondContact N-O 3.42Å; G547-I605 PolarHBondContact O-N 2.75Å
548	T	96.8	Very high	93.6	Very high	48 Å²	48	35.2 Å²	35.2	29%	0.294	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	122.3	-178.6	-55.8	0	0	0	0	110.1	P602 N603	T548-P602 HydrophobicContact CG2-CB 3.26Å; T548-N603 CarbonylContact C-O 3.48Å; T548-N603 VanDerWaalsContact CA-O 3.3Å; T548-N603 WeakPolarHBondContact CA-O 3.38Å
549	L	97.3	Very high	95.1	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.063	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.2	167.2	171.6	66	0	0	0	108.6	Y372 V375 N603 I605 F621	Y372-L549 HydrophobicContact CD1-CD2 4.12Å; Y372-L549 HydrophobicContact CG-CD1 4.5Å; Y372-L549 HydrophobicContact CG-CD2 3.99Å; V375-L549 HydrophobicContact CG2-CB 3.97Å; V375-L549 HydrophobicContact CG2-CD1 3.95Å; L549-N603 HydrophobicContact CB-CB 4.03Å; L549-N603 PolarHBondContact N-O 3.18Å; L549-N603 WeakPolarHBondContact O-CB 3.25Å; L549-N603 PolarHBondContact O-N 3Å; L549-I605 HydrophobicContact CB-CD1 4.18Å; L549-F621 HydrophobicContact CB-CE2 4.38Å; L549-F621 HydrophobicContact CD2-CD2 4.33Å; L549-F621 HydrophobicContact CD2-CE2 4.12Å; L549-F621 HydrophobicContact CD2-CZ 4.2Å
550	Q	96.3	Very high	96.2	Very high	125 Å²	125	31.7 Å²	31.7	58%	0.584	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-69.8	138.8	178.2	-61.9	-58.3	-30.4	0	0	110.7
551	P	93.6	Very high	96.6	Very high	43 Å²	43	30.5 Å²	30.5	28%	0.279	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-68.3	140.8	178.8	29.8	-33.9	0	0	0	110	T599	P551-T599 WeakPolarHBondContact CB-O 3.21Å
552	N	93.9	Very high	96.7	Very high	74 Å²	74	30.7 Å²	30.7	40%	0.396	17%	0.173	S	C	.	.			trans	-119.2	16.9	176	67.2	-1.6	0	0	0	112.4	F370 Y372 L554	F370-N552 VanDerWaalsContact CE1-ND2 3.33Å; F370-N552 WeakPolarHBondContact CE1-ND2 3.29Å; Y372-N552 WeakPolarHBondContact CD1-ND2 3.46Å; Y372-N552 WeakPolarHBondContact CE1-OD1 3.38Å; N552-L554 VanDerWaalsContact C-N 3.28Å; N552-L554 PolarHBondContact O-N 3.34Å; N552-L554 VanDerWaalsContact OD1-CB 3.28Å; N552-L554 WeakPolarHBondContact OD1-CB 3Å; N552-L554 PolarHBondContact OD1-N 3.09Å
553	G	94.9	Very high	96.5	Very high	51 Å²	51	33 Å²	33	53%	0.526	18%	0.184	S	C	.	.	S	Bend	trans	82.3	-4.3	-174.2	0	0	0	0	0	114.8	T599	G553-T599 WeakPolarHBondContact CA-O 3.45Å; G553-T599 PolarHBondContact N-O 3Å
554	L	94.6	Very high	96.4	Very high	48 Å²	48	39.5 Å²	39.5	25%	0.251	21%	0.214	S	C	.	.			trans	-106.8	150.2	178.4	-54.2	175.3	0	0	0	111.7	F370 Y372 N552 W556	F370-L554 HydrophobicContact CD1-CD1 4.39Å; F370-L554 HydrophobicContact CD2-CD1 3.84Å; F370-L554 HydrophobicContact CE1-CD1 4.43Å; F370-L554 HydrophobicContact CE2-CD1 3.88Å; F370-L554 HydrophobicContact CG-CD1 4.11Å; F370-L554 HydrophobicContact CZ-CD1 4.18Å; Y372-L554 HydrophobicContact CE1-CB 4.33Å; N552-L554 VanDerWaalsContact C-N 3.28Å; N552-L554 PolarHBondContact O-N 3.34Å; N552-L554 VanDerWaalsContact OD1-CB 3.28Å; N552-L554 WeakPolarHBondContact OD1-CB 3Å; N552-L554 PolarHBondContact OD1-N 3.09Å; L554-W556 HydrophobicContact CD1-CD2 4.49Å; L554-W556 HydrophobicContact CD1-CE3 4.37Å; L554-W556 HydrophobicContact CD2-CD2 4.48Å; L554-W556 HydrophobicContact CD2-CZ2 4.17Å
555	A	94.8	Very high	96.4	Very high	31 Å²	31	39.7 Å²	39.7	26%	0.256	22%	0.215	S	C	.	.			trans	-136.1	47.1	170.1	0	0	0	0	0	108.8	G594 L597 T599	A555-G594 CarbonylContact O-C 3.53Å; A555-G594 WeakPolarHBondContact O-CA 3.44Å; A555-L597 HydrophobicContact CB-CB 4.41Å; A555-T599 HydrophobicContact CB-CG2 3.54Å
556	W	97.9	Very high	96.4	Very high	112 Å²	112	41.8 Å²	41.8	42%	0.424	23%	0.228	S	C	.	.			trans	-81.4	152	174.3	-67.6	-4.6	0	0	0	110.3	P368 F370 Y372 L554	P368-W556 HydrophobicContact CB-CD2 3.66Å; P368-W556 HydrophobicContact CB-CE3 3.86Å; P368-W556 HydrophobicContact CB-CG 3.96Å; P368-W556 HydrophobicContact CB-CZ2 4.45Å; P368-W556 HydrophobicContact CB-CZ3 4.36Å; P368-W556 HydrophobicContact CG-CB 4.49Å; P368-W556 HydrophobicContact CG-CD2 3.98Å; P368-W556 HydrophobicContact CG-CG 3.85Å; F370-W556 HydrophobicContact CB-CB 4.09Å; F370-W556 HydrophobicContact CB-CE3 4.05Å; F370-W556 HydrophobicContact CD2-CE3 4.07Å; F370-W556 HydrophobicContact CD2-CZ3 4.24Å; F370-W556 HydrophobicContact CG-CE3 4.46Å; Y372-W556 PolarHBondContact OH-N 3.43Å; Y372-W556 PolarHBondContact OH-O 3.2Å; L554-W556 HydrophobicContact CD1-CD2 4.49Å; L554-W556 HydrophobicContact CD1-CE3 4.37Å; L554-W556 HydrophobicContact CD2-CD2 4.48Å; L554-W556 HydrophobicContact CD2-CZ2 4.17Å
557	D	98.8	Very high	96.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-54.6	150	174.5	-77.8	-5.2	0	0	0	110.9	Y60 T367 P368 K369 F370 Y591 P593 G594	Y60-D557 VanDerWaalsContact OH-CG 3.29Å; Y60-D557 PolarHBondContact OH-OD1 3.43Å; Y60-D557 PolarHBondContact OH-OD2 3.3Å; T367-D557 PolarHBondContact OG1-OD2 2.75Å; P368-D557 PolarHBondContact O-N 2.88Å; K369-D557 CarbonylContact C-O 3.59Å; K369-D557 WeakPolarHBondContact CA-O 3.34Å; K369-D557 HydrophobicContact CD-CB 3.31Å; F370-D557 PolarHBondContact N-O 2.71Å; D557-Y591 HydrophobicContact CB-CE2 3.94Å; D557-Y591 PolarHBondContact OD1-OH 3Å; D557-Y591 PolarHBondContact OD2-OH 3.27Å; D557-P593 WeakPolarHBondContact OD1-CA 3.23Å; D557-G594 PolarHBondContact OD1-N 2.93Å
558	T	98.9	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	174	179.7	-170.2	0	0	0	0	110.4	F370 Y372 V592 L597 F621 M622	F370-T558 VanDerWaalsContact O-CB 3.24Å; F370-T558 WeakPolarHBondContact O-CB 3.45Å; F370-T558 PolarHBondContact O-OG1 3.23Å; Y372-T558 HydrophobicContact CD2-CG2 3.82Å; Y372-T558 HydrophobicContact CE2-CG2 3.82Å; T558-V592 HydrophobicContact CG2-CB 3.65Å; T558-V592 HydrophobicContact CG2-CG1 4.06Å; T558-V592 HydrophobicContact CG2-CG2 4.2Å; T558-V592 PolarHBondContact N-O 2.98Å; T558-V592 PolarHBondContact O-N 2.78Å; T558-L597 HydrophobicContact CG2-CD1 4.18Å; T558-F621 HydrophobicContact CG2-CD1 3.51Å; T558-F621 HydrophobicContact CG2-CE1 4.14Å; T558-F621 HydrophobicContact CG2-CG 4.46Å; T558-M622 PolarHBondContact OG1-O 3.27Å
559	F	98.9	Very high	96.7	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.1	-178.5	-61.5	-82.5	0	0	0	110.1	A338 K369 T589 L590 Y591 F621 M622 R624 P625	A338-F559 HydrophobicContact CB-CE1 4.41Å; A338-F559 HydrophobicContact CB-CZ 3.97Å; K369-F559 HydrophobicContact CD-CE2 3.96Å; K369-F559 HydrophobicContact CD-CZ 4.42Å; K369-F559 HydrophobicContact CG-CE2 4.13Å; F559-T589 HydrophobicContact CB-CG2 4.27Å; F559-L590 CarbonylContact C-O 3.52Å; F559-L590 WeakPolarHBondContact CA-O 3.32Å; F559-Y591 HydrophobicContact CD1-CD2 4.21Å; F559-Y591 AromaticContact CE1-CD2 3.68Å; F559-Y591 HydrophobicContact CE1-CD2 3.68Å; F559-Y591 HydrophobicContact CE1-CG 4.29Å; F559-Y591 HydrophobicContact CZ-CD2 4.16Å; F559-F621 CarbonylContact O-C 3.52Å; F559-F621 WeakPolarHBondContact O-CA 3.45Å; F559-M622 PolarHBondContact N-O 3.29Å; F559-M622 PolarHBondContact O-N 3.09Å; F559-R624 VanDerWaalsContact CD2-C 3.45Å; F559-P625 HydrophobicContact CD1-CB 3.79Å; F559-P625 HydrophobicContact CE1-CB 3.67Å; F559-P625 HydrophobicContact CE1-CG 4.14Å; F559-P625 HydrophobicContact CE2-CG 4.48Å; F559-P625 HydrophobicContact CG-CB 4.28Å; F559-P625 HydrophobicContact CZ-CB 4.07Å; F559-P625 HydrophobicContact CZ-CG 4.05Å
560	L	98.8	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.9	179.8	-175.8	71.9	0	0	0	110.6	L562 V570 T589 L590 V592 I619 F621	L560-L562 HydrophobicContact CD2-CD1 4.11Å; L560-L562 HydrophobicContact CG-CD1 4.14Å; L560-V570 HydrophobicContact CD2-CB 4.39Å; L560-V570 HydrophobicContact CD2-CG1 3.63Å; L560-V570 HydrophobicContact CD2-CG2 4.16Å; L560-T589 CarbonylContact O-C 3.17Å; L560-T589 VanDerWaalsContact O-CA 3.23Å; L560-T589 WeakPolarHBondContact O-CA 3.5Å; L560-L590 PolarHBondContact N-O 2.89Å; L560-L590 PolarHBondContact O-N 3.33Å; L560-V592 HydrophobicContact CB-CG2 3.99Å; L560-I619 HydrophobicContact CD1-CB 3.99Å; L560-I619 HydrophobicContact CD1-CD1 3.79Å; L560-I619 HydrophobicContact CD1-CG1 3.99Å; L560-I619 HydrophobicContact CD2-CD1 4.46Å; L560-F621 HydrophobicContact CB-CD1 4.46Å; L560-F621 HydrophobicContact CB-CE1 4.36Å; L560-F621 HydrophobicContact CD1-CD1 3.97Å; L560-F621 HydrophobicContact CD1-CD2 4.06Å; L560-F621 HydrophobicContact CD1-CE1 3.76Å; L560-F621 HydrophobicContact CD1-CE2 3.8Å; L560-F621 HydrophobicContact CD1-CG 4.15Å; L560-F621 HydrophobicContact CD1-CZ 3.68Å
561	K	98.3	Very high	96.9	Very high	49 Å²	49	31.7 Å²	31.7	21%	0.213	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134	172.1	-173.1	172.3	-179.9	171	0	110.9	I563 T589 V620 M622	K561-I563 HydrophobicContact CD-CG1 4.11Å; K561-I563 HydrophobicContact CG-CG1 4.03Å; K561-T589 HydrophobicContact CB-CG2 3.96Å; K561-T589 HydrophobicContact CG-CG2 4.41Å; K561-V620 HydrophobicContact CB-CG1 3.72Å; K561-V620 HydrophobicContact CG-CG1 4.39Å; K561-V620 PolarHBondContact N-O 3.41Å; K561-V620 PolarHBondContact O-N 2.89Å; K561-M622 HydrophobicContact CB-SD 3.89Å; K561-M622 HydrophobicContact CD-SD 3.61Å; K561-M622 HydrophobicContact CG-SD 4.4Å
562	L	96.6	Very high	97.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.16	C	C	.	.			trans	-108.8	82.2	179.2	-62.6	94.3	0	0	0	109.8	L560 E564 W565 V570 Y580 L590 L607 I619	L560-L562 HydrophobicContact CD2-CD1 4.11Å; L560-L562 HydrophobicContact CG-CD1 4.14Å; L562-E564 PolarHBondContact O-N 2.79Å; L562-W565 HydrophobicContact CB-CB 3.84Å; L562-W565 HydrophobicContact CB-CG 3.93Å; L562-W565 HydrophobicContact CD2-CB 4.47Å; L562-W565 HydrophobicContact CD2-CG 4.32Å; L562-V570 HydrophobicContact CD1-CG2 4.37Å; L562-V570 HydrophobicContact CD2-CG2 4.09Å; L562-Y580 HydrophobicContact CB-CD2 4.11Å; L562-Y580 HydrophobicContact CB-CE2 4.41Å; L562-Y580 HydrophobicContact CB-CG 4.47Å; L562-Y580 HydrophobicContact CD1-CD1 4.27Å; L562-Y580 HydrophobicContact CD1-CD2 4.41Å; L562-Y580 HydrophobicContact CD1-CG 3.93Å; L562-Y580 HydrophobicContact CD2-CD1 3.54Å; L562-Y580 HydrophobicContact CD2-CD2 3.79Å; L562-Y580 HydrophobicContact CD2-CE1 3.5Å; L562-Y580 HydrophobicContact CD2-CE2 3.79Å; L562-Y580 HydrophobicContact CD2-CG 3.67Å; L562-Y580 HydrophobicContact CG-CD1 4.49Å; L562-Y580 HydrophobicContact CG-CD2 4.33Å; L562-Y580 HydrophobicContact CG-CG 4.24Å; L562-L590 HydrophobicContact CD1-CD1 4.32Å; L562-L607 HydrophobicContact CD2-CD1 3.51Å; L562-L607 HydrophobicContact CD2-CD2 4.28Å; L562-I619 HydrophobicContact CD2-CG2 4.25Å; L562-I619 HydrophobicContact CG-CG2 4.15Å
563	I	92.7	Very high	97.3	Very high	57 Å²	57	29 Å²	29	29%	0.292	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	125.6	-178.3	-58.6	172.8	0	0	0	109.8	F374 K561 W565 H616 V620	F374-I563 HydrophobicContact CE1-CD1 4.24Å; K561-I563 HydrophobicContact CD-CG1 4.11Å; K561-I563 HydrophobicContact CG-CG1 4.03Å; I563-W565 PolarHBondContact O-N 2.8Å; I563-H616 PolarHBondContact O-NE2 2.9Å; I563-V620 HydrophobicContact CD1-CG1 3.75Å; I563-V620 HydrophobicContact CG1-CG1 4.2Å
564	E	94.1	Very high	97.2	Very high	140 Å²	140	28 Å²	28	65%	0.654	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	0.5	178.3	-64.4	172.7	-168	0	0	116.1	L562 P614 H616	L562-E564 PolarHBondContact O-N 2.79Å; E564-P614 HydrophobicContact CB-CB 3.68Å; E564-P614 HydrophobicContact CB-CG 4.37Å; E564-H616 IonicContact OE2-CD2 3.97Å; E564-H616 IonicContact OE2-NE2 2.8Å
565	W	97.3	Very high	97.4	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.019	15%	0.151	C	C	.	.			trans	-69.7	158.3	163.4	-62.5	82.3	0	0	0	109.7	L377 Y545 L562 I563 Y580 P582 L607 E609 A613 P614 L617 R618 I619	L377-W565 HydrophobicContact CD1-CH2 3.99Å; L377-W565 HydrophobicContact CD1-CZ2 3.77Å; L377-W565 HydrophobicContact CG-CZ2 4.47Å; Y545-W565 HydrophobicContact CD1-CH2 4.06Å; Y545-W565 AromaticContact CD2-CH2 3.96Å; Y545-W565 HydrophobicContact CD2-CH2 3.96Å; Y545-W565 AromaticContact CD2-CZ3 3.77Å; Y545-W565 HydrophobicContact CD2-CZ3 3.77Å; Y545-W565 HydrophobicContact CE1-CH2 4.37Å; Y545-W565 HydrophobicContact CE2-CH2 4.29Å; Y545-W565 AromaticContact CE2-CZ3 3.91Å; Y545-W565 HydrophobicContact CE2-CZ3 3.91Å; Y545-W565 AromaticContact CG-CH2 3.86Å; Y545-W565 HydrophobicContact CG-CH2 3.86Å; Y545-W565 HydrophobicContact CG-CZ3 4.17Å; L562-W565 HydrophobicContact CB-CB 3.84Å; L562-W565 HydrophobicContact CB-CG 3.93Å; L562-W565 HydrophobicContact CD2-CB 4.47Å; L562-W565 HydrophobicContact CD2-CG 4.32Å; I563-W565 PolarHBondContact O-N 2.8Å; W565-Y580 HydrophobicContact CB-CD2 4.43Å; W565-Y580 HydrophobicContact CB-CE2 3.65Å; W565-P582 WeakPolarHBondContact O-CG 3.43Å; W565-L607 HydrophobicContact CD2-CD2 3.82Å; W565-L607 HydrophobicContact CE3-CD2 3.5Å; W565-L607 VanDerWaalsContact CE3-CD2 3.5Å; W565-L607 HydrophobicContact CH2-CD2 3.38Å; W565-L607 HydrophobicContact CZ2-CD2 3.7Å; W565-L607 HydrophobicContact CZ3-CD2 3.27Å; W565-L607 HydrophobicContact CZ3-CG 4.41Å; W565-E609 HydrophobicContact CE3-CB 3.78Å; W565-E609 HydrophobicContact CE3-CG 3.86Å; W565-E609 HydrophobicContact CZ3-CB 3.74Å; W565-E609 HydrophobicContact CZ3-CG 4.1Å; W565-A613 HydrophobicContact CE3-CB 4.1Å; W565-A613 HydrophobicContact CH2-CB 4.18Å; W565-A613 HydrophobicContact CZ3-CB 3.61Å; W565-P614 HydrophobicContact CD2-CG 3.95Å; W565-P614 HydrophobicContact CG-CG 4.02Å; W565-P614 HydrophobicContact CZ2-CG 4.26Å; W565-L617 HydrophobicContact CH2-CD2 3.97Å; W565-L617 HydrophobicContact CZ2-CD2 4.38Å; W565-R618 PolarHBondContact NE1-O 2.85Å; W565-I619 HydrophobicContact CZ2-CG2 4.42Å
566	T	97.4	Very high	97.6	Very high	43 Å²	43	27.9 Å²	27.9	26%	0.264	14%	0.144	S	C	.	.			trans	-105.6	-65.3	-167.1	-43.7	0	0	0	0	111.3	P582 E609 E611 G612	T566-P582 WeakPolarHBondContact O-CD 3.07Å; T566-E609 WeakPolarHBondContact CB-OE1 3.4Å; T566-E609 PolarHBondContact N-OE2 3.45Å; T566-E611 HydrophobicContact CG2-CB 3.75Å; T566-E611 HydrophobicContact CG2-CG 4.49Å; T566-G612 PolarHBondContact OG1-O 2.82Å
567	K	98.6	Very high	97.6	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.013	12%	0.124	C	C	.	.	S	Bend	trans	-156.7	139.3	179.3	-170.2	-176.5	-174.9	-63.7	0	110.8	E476 Y580 W581 E609 L610 E611	E476-K567 IonicContact OE1-NZ 3.88Å; E476-K567 PolarHBondContact OE1-NZ 2.81Å; E476-K567 IonicContact OE2-NZ 3.2Å; E476-K567 PolarHBondContact OE2-NZ 2.91Å; K567-Y580 WeakPolarHBondContact CA-O 3.26Å; K567-W581 HydrophobicContact CB-CG 4.17Å; K567-W581 HydrophobicContact CD-CD2 3.63Å; K567-W581 HydrophobicContact CD-CE3 3.98Å; K567-W581 HydrophobicContact CD-CG 4.09Å; K567-W581 HydrophobicContact CD-CH2 4.07Å; K567-W581 HydrophobicContact CD-CZ2 3.72Å; K567-W581 HydrophobicContact CD-CZ3 4.21Å; K567-W581 VanDerWaalsContact CE-CE3 3.42Å; K567-W581 VanDerWaalsContact CE-CZ3 3.5Å; K567-W581 HydrophobicContact CG-CB 4.23Å; K567-W581 HydrophobicContact CG-CD2 3.89Å; K567-W581 HydrophobicContact CG-CE3 4.49Å; K567-W581 HydrophobicContact CG-CG 3.79Å; K567-E609 PolarHBondContact N-OE1 2.79Å; K567-E609 PolarHBondContact N-OE2 2.9Å; K567-L610 HydrophobicContact CG-CD1 4.44Å; K567-L610 WeakPolarHBondContact O-CB 3.2Å; K567-L610 PolarHBondContact O-N 2.81Å; K567-E611 HydrophobicContact CB-CG 4.46Å
568	G	98.6	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-161	179	0	0	0	0	0	116	R579 Y580 L608	G568-R579 CarbonylContact O-C 3.58Å; G568-R579 VanDerWaalsContact O-CA 3.29Å; G568-R579 WeakPolarHBondContact O-CA 3.33Å; G568-Y580 VanDerWaalsContact CA-CZ 3.47Å; G568-Y580 VanDerWaalsContact N-CZ 3.32Å; G568-Y580 PolarHBondContact N-O 2.61Å; G568-Y580 WeakPolarHBondContact O-CD1 3.25Å; G568-Y580 PolarHBondContact O-N 2.83Å; G568-L608 CarbonylContact C-O 3.38Å; G568-L608 WeakPolarHBondContact CA-O 3.33Å
569	Q	98.9	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.6	-177.9	-161.4	82.1	29.5	0	0	110.5	G311 Y312 Y413 W571 N576 G578 L608	G311-Q569 PolarHBondContact O-NE2 3.22Å; Y312-Q569 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q569 HydrophobicContact CE1-CG 4.2Å; Y413-Q569 PolarHBondContact OH-OE1 2.87Å; Q569-W571 HydrophobicContact CB-CE3 4.47Å; Q569-W571 HydrophobicContact CB-CH2 3.5Å; Q569-W571 VanDerWaalsContact CB-CH2 3.5Å; Q569-W571 HydrophobicContact CB-CZ2 4.3Å; Q569-W571 HydrophobicContact CB-CZ3 3.6Å; Q569-W571 HydrophobicContact CG-CE3 4.35Å; Q569-W571 HydrophobicContact CG-CH2 3.37Å; Q569-W571 HydrophobicContact CG-CZ2 3.66Å; Q569-W571 HydrophobicContact CG-CZ3 3.75Å; Q569-W571 WeakPolarHBondContact O-CZ3 3.44Å; Q569-N576 PolarHBondContact NE2-ND2 2.83Å; Q569-N576 PolarHBondContact NE2-OD1 2.84Å; Q569-G578 PolarHBondContact NE2-O 2.57Å; Q569-L608 HydrophobicContact CB-CB 4.45Å; Q569-L608 PolarHBondContact N-O 3.02Å; Q569-L608 PolarHBondContact O-N 3.12Å
570	V	98.8	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.3	-179.4	-166.5	0	0	0	0	111.8	L560 L562 I572 N576 L577 G578 Y580 L590 I605 L607	L560-V570 HydrophobicContact CD2-CB 4.39Å; L560-V570 HydrophobicContact CD2-CG1 3.63Å; L560-V570 HydrophobicContact CD2-CG2 4.16Å; L562-V570 HydrophobicContact CD1-CG2 4.37Å; L562-V570 HydrophobicContact CD2-CG2 4.09Å; V570-I572 HydrophobicContact CG1-CG1 4.5Å; V570-N576 PolarHBondContact O-OD1 2.88Å; V570-L577 HydrophobicContact CB-CB 4.47Å; V570-L577 HydrophobicContact CB-CD1 4.47Å; V570-L577 HydrophobicContact CG1-CD1 4.19Å; V570-L577 PolarHBondContact O-N 2.84Å; V570-G578 PolarHBondContact N-O 2.88Å; V570-Y580 HydrophobicContact CG2-CD1 3.69Å; V570-Y580 HydrophobicContact CG2-CE1 4.1Å; V570-L590 HydrophobicContact CB-CD1 4.06Å; V570-L590 HydrophobicContact CG2-CD1 3.53Å; V570-I605 HydrophobicContact CG1-CG2 4.42Å; V570-L607 HydrophobicContact CB-CD1 4.42Å; V570-L607 HydrophobicContact CG2-CD1 3.63Å
571	W	98.8	Very high	97.6	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.9	167.4	-60.8	-107.5	0	0	0	111	I514 D515 I518 Q569 V575 N576 I605 T606 L608	I514-W571 HydrophobicContact CG2-CH2 3.74Å; I514-W571 HydrophobicContact CG2-CZ2 3.65Å; D515-W571 PolarHBondContact OD1-NE1 2.88Å; I518-W571 HydrophobicContact CD1-CB 4.27Å; I518-W571 HydrophobicContact CD1-CD2 3.44Å; I518-W571 VanDerWaalsContact CD1-CD2 3.44Å; I518-W571 HydrophobicContact CD1-CE3 3.84Å; I518-W571 HydrophobicContact CD1-CG 3.63Å; I518-W571 HydrophobicContact CD1-CZ2 4.19Å; I518-W571 HydrophobicContact CD1-CZ3 4.36Å; I518-W571 HydrophobicContact CG2-CB 4.4Å; I518-W571 HydrophobicContact CG2-CG 4.48Å; Q569-W571 HydrophobicContact CB-CE3 4.47Å; Q569-W571 HydrophobicContact CB-CH2 3.5Å; Q569-W571 VanDerWaalsContact CB-CH2 3.5Å; Q569-W571 HydrophobicContact CB-CZ2 4.3Å; Q569-W571 HydrophobicContact CB-CZ3 3.6Å; Q569-W571 HydrophobicContact CG-CE3 4.35Å; Q569-W571 HydrophobicContact CG-CH2 3.37Å; Q569-W571 HydrophobicContact CG-CZ2 3.66Å; Q569-W571 HydrophobicContact CG-CZ3 3.75Å; Q569-W571 WeakPolarHBondContact O-CZ3 3.44Å; W571-V575 CarbonylContact C-O 3.43Å; W571-V575 WeakPolarHBondContact CA-O 3.45Å; W571-N576 VanDerWaalsContact CD1-CA 3.46Å; W571-N576 VanDerWaalsContact CD1-CB 3.49Å; W571-N576 HydrophobicContact CG-CB 4.33Å; W571-N576 PolarHBondContact NE1-ND2 2.83Å; W571-I605 WeakPolarHBondContact O-CA 3.38Å; W571-T606 HydrophobicContact CE3-CG2 4.44Å; W571-T606 PolarHBondContact N-O 3.4Å; W571-T606 PolarHBondContact O-N 2.8Å; W571-L608 HydrophobicContact CH2-CB 4.28Å; W571-L608 HydrophobicContact CZ3-CB 3.89Å
572	I	98.2	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.3	168.9	-60.6	-171.7	0	0	0	108.4	V570 G574 V575 L577 V592 L597 N604 I605 F621	V570-I572 HydrophobicContact CG1-CG1 4.5Å; I572-G574 PolarHBondContact O-N 3.35Å; I572-G574 VanDerWaalsContact O-N 3.13Å; I572-V575 PolarHBondContact N-O 3.4Å; I572-V575 PolarHBondContact O-N 2.9Å; I572-L577 HydrophobicContact CB-CD1 4.44Å; I572-L577 HydrophobicContact CD1-CD1 3.62Å; I572-L577 HydrophobicContact CG1-CD1 3.71Å; I572-L577 HydrophobicContact CG1-CG 4.34Å; I572-V592 HydrophobicContact CD1-CG1 3.95Å; I572-V592 HydrophobicContact CD1-CG2 4.09Å; I572-L597 HydrophobicContact CG2-CD2 3.99Å; I572-N604 CarbonylContact C-O 3.5Å; I572-N604 WeakPolarHBondContact CA-O 3.35Å; I572-I605 HydrophobicContact CG1-CG1 4.34Å; I572-F621 HydrophobicContact CD1-CE1 3.7Å; I572-F621 HydrophobicContact CD1-CZ 3.75Å
573	N	96.6	Very high	97.3	Very high	60 Å²	60	24.1 Å²	24.1	32%	0.321	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.5	-177.9	-64.8	-27.3	0	0	0	113.4	V575 L596 N603 N604	N573-V575 VanDerWaalsContact C-N 3.26Å; N573-V575 PolarHBondContact O-N 2.91Å; N573-L596 PolarHBondContact ND2-O 3.19Å; N573-N603 PolarHBondContact ND2-OD1 3.46Å; N573-N603 VanDerWaalsContact OD1-CA 3.32Å; N573-N603 WeakPolarHBondContact OD1-CA 3.4Å; N573-N604 PolarHBondContact N-O 3.05Å; N573-N604 PolarHBondContact OD1-N 2.84Å
574	G	94.8	Very high	97.5	Very high	32 Å²	32	25.7 Å²	25.7	33%	0.33	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.3	-178.8	0	0	0	0	0	115.6	I572	I572-G574 PolarHBondContact O-N 3.35Å; I572-G574 VanDerWaalsContact O-N 3.13Å
575	V	97.1	Very high	97.6	Very high	58 Å²	58	19 Å²	19	35%	0.352	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.4	174.8	179.2	0	0	0	0	109.9	W571 I572 N573 L577 L596	W571-V575 CarbonylContact C-O 3.43Å; W571-V575 WeakPolarHBondContact CA-O 3.45Å; I572-V575 PolarHBondContact N-O 3.4Å; I572-V575 PolarHBondContact O-N 2.9Å; N573-V575 VanDerWaalsContact C-N 3.26Å; N573-V575 PolarHBondContact O-N 2.91Å; V575-L577 PolarHBondContact O-N 3.02Å; V575-L596 HydrophobicContact CB-CD1 4.27Å; V575-L596 HydrophobicContact CB-CD2 4.12Å; V575-L596 HydrophobicContact CG1-CD1 3.96Å; V575-L596 HydrophobicContact CG1-CD2 4.07Å; V575-L596 HydrophobicContact CG2-CD2 3.81Å
576	N	98.7	Very high	97.5	Very high	17 Å²	17	18.8 Å²	18.8	9%	0.091	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	107.9	177.9	-167.9	-23.4	0	0	0	110.2	G311 Y312 D515 Q569 V570 W571 G578	G311-N576 PolarHBondContact N-O 3.38Å; Y312-N576 PolarHBondContact OH-ND2 3.4Å; D515-N576 PolarHBondContact OD1-ND2 2.97Å; Q569-N576 PolarHBondContact NE2-ND2 2.83Å; Q569-N576 PolarHBondContact NE2-OD1 2.84Å; V570-N576 PolarHBondContact O-OD1 2.88Å; W571-N576 VanDerWaalsContact CD1-CA 3.46Å; W571-N576 VanDerWaalsContact CD1-CB 3.49Å; W571-N576 HydrophobicContact CG-CB 4.33Å; W571-N576 PolarHBondContact NE1-ND2 2.83Å; N576-G578 VanDerWaalsContact C-N 3.28Å; N576-G578 PolarHBondContact O-N 2.9Å; N576-G578 PolarHBondContact OD1-N 2.92Å; N576-G578 VanDerWaalsContact OD1-N 3.15Å
577	L	98.7	Very high	97.6	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-24	-177.1	-64.4	-176.8	0	0	0	113	F310 T327 V570 I572 V575 L590 V592 L596	F310-L577 HydrophobicContact CE1-CD2 4.4Å; T327-L577 WeakPolarHBondContact CG2-O 3.45Å; V570-L577 HydrophobicContact CB-CB 4.47Å; V570-L577 HydrophobicContact CB-CD1 4.47Å; V570-L577 HydrophobicContact CG1-CD1 4.19Å; V570-L577 PolarHBondContact O-N 2.84Å; I572-L577 HydrophobicContact CB-CD1 4.44Å; I572-L577 HydrophobicContact CD1-CD1 3.62Å; I572-L577 HydrophobicContact CG1-CD1 3.71Å; I572-L577 HydrophobicContact CG1-CG 4.34Å; V575-L577 PolarHBondContact O-N 3.02Å; L577-L590 HydrophobicContact CB-CD1 4.43Å; L577-V592 HydrophobicContact CD1-CG2 3.79Å; L577-L596 HydrophobicContact CD2-CD1 3.7Å
578	G	98.7	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.9	-166.2	-174.4	0	0	0	0	0	113.3	G311 Q569 V570 N576	G311-G578 WeakPolarHBondContact O-CA 3.46Å; Q569-G578 PolarHBondContact NE2-O 2.57Å; V570-G578 PolarHBondContact N-O 2.88Å; N576-G578 VanDerWaalsContact C-N 3.28Å; N576-G578 PolarHBondContact O-N 2.9Å; N576-G578 PolarHBondContact OD1-N 2.92Å; N576-G578 VanDerWaalsContact OD1-N 3.15Å
579	R	98.9	Very high	97.5	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	145.1	-172.1	-57.8	173.8	-157.9	-95.1	4.3	111.1	N314 T327 E476 N477 G568 L590	N314-R579 PolarHBondContact OD1-NE 3.17Å; N314-R579 PolarHBondContact OD1-NH2 3.43Å; T327-R579 PolarHBondContact OG1-N 2.76Å; T327-R579 PolarHBondContact OG1-O 2.95Å; E476-R579 IonicContact OE1-CZ 2.83Å; E476-R579 IonicContact OE1-NH1 2.82Å; E476-R579 PolarHBondContact OE1-NH1 2.96Å; N477-R579 VanDerWaalsContact O-CZ 3.27Å; N477-R579 PolarHBondContact O-NH1 2.79Å; N477-R579 PolarHBondContact O-NH2 3.13Å; G568-R579 CarbonylContact O-C 3.58Å; G568-R579 VanDerWaalsContact O-CA 3.29Å; G568-R579 WeakPolarHBondContact O-CA 3.33Å; R579-L590 WeakPolarHBondContact O-CD2 3.42Å
580	Y	98.8	Very high	97.5	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.2	165.3	68.6	-85.7	0	0	0	111	L562 W565 K567 G568 V570 P582 L607 E609	L562-Y580 HydrophobicContact CB-CD2 4.11Å; L562-Y580 HydrophobicContact CB-CE2 4.41Å; L562-Y580 HydrophobicContact CB-CG 4.47Å; L562-Y580 HydrophobicContact CD1-CD1 4.27Å; L562-Y580 HydrophobicContact CD1-CD2 4.41Å; L562-Y580 HydrophobicContact CD1-CG 3.93Å; L562-Y580 HydrophobicContact CD2-CD1 3.54Å; L562-Y580 HydrophobicContact CD2-CD2 3.79Å; L562-Y580 HydrophobicContact CD2-CE1 3.5Å; L562-Y580 HydrophobicContact CD2-CE2 3.79Å; L562-Y580 HydrophobicContact CD2-CG 3.67Å; L562-Y580 HydrophobicContact CG-CD1 4.49Å; L562-Y580 HydrophobicContact CG-CD2 4.33Å; L562-Y580 HydrophobicContact CG-CG 4.24Å; W565-Y580 HydrophobicContact CB-CD2 4.43Å; W565-Y580 HydrophobicContact CB-CE2 3.65Å; K567-Y580 WeakPolarHBondContact CA-O 3.26Å; G568-Y580 VanDerWaalsContact CA-CZ 3.47Å; G568-Y580 VanDerWaalsContact N-CZ 3.32Å; G568-Y580 PolarHBondContact N-O 2.61Å; G568-Y580 WeakPolarHBondContact O-CD1 3.25Å; G568-Y580 PolarHBondContact O-N 2.83Å; V570-Y580 HydrophobicContact CG2-CD1 3.69Å; V570-Y580 HydrophobicContact CG2-CE1 4.1Å; Y580-P582 HydrophobicContact CD2-CG 4.43Å; Y580-L607 HydrophobicContact CD1-CD1 4.21Å; Y580-L607 HydrophobicContact CE1-CD1 3.36Å; Y580-L607 HydrophobicContact CE1-CG 4.39Å; Y580-E609 WeakPolarHBondContact CE2-OE2 3.41Å; Y580-E609 WeakPolarHBondContact OH-CA 3.43Å; Y580-E609 WeakPolarHBondContact OH-CB 3.2Å; Y580-E609 PolarHBondContact OH-OE2 2.89Å
581	W	98.3	Very high	97.5	Very high	11 Å²	11	18.6 Å²	18.6	4%	0.042	11%	0.112	C	C	.	.			trans	-154.1	64.5	173.3	-157.8	-4.8	0	0	0	112.1	W273 M478 K567 G583 R584 G585	W273-W581 HydrophobicContact CB-CE3 3.76Å; W273-W581 HydrophobicContact CB-CZ3 4.12Å; W273-W581 HydrophobicContact CD2-CB 3.9Å; W273-W581 HydrophobicContact CD2-CE3 4.2Å; W273-W581 HydrophobicContact CE3-CB 3.61Å; W273-W581 AromaticContact CG-CE3 3.74Å; W273-W581 HydrophobicContact CG-CE3 3.74Å; W273-W581 HydrophobicContact CG-CZ3 4.4Å; W273-W581 HydrophobicContact CH2-CB 4.21Å; W273-W581 HydrophobicContact CZ2-CB 4.44Å; W273-W581 HydrophobicContact CZ3-CB 3.79Å; M478-W581 HydrophobicContact CE-CE3 4.46Å; M478-W581 HydrophobicContact CE-CH2 4.08Å; M478-W581 HydrophobicContact CE-CZ3 3.51Å; K567-W581 HydrophobicContact CB-CG 4.17Å; K567-W581 HydrophobicContact CD-CD2 3.63Å; K567-W581 HydrophobicContact CD-CE3 3.98Å; K567-W581 HydrophobicContact CD-CG 4.09Å; K567-W581 HydrophobicContact CD-CH2 4.07Å; K567-W581 HydrophobicContact CD-CZ2 3.72Å; K567-W581 HydrophobicContact CD-CZ3 4.21Å; K567-W581 VanDerWaalsContact CE-CE3 3.42Å; K567-W581 VanDerWaalsContact CE-CZ3 3.5Å; K567-W581 HydrophobicContact CG-CB 4.23Å; K567-W581 HydrophobicContact CG-CD2 3.89Å; K567-W581 HydrophobicContact CG-CE3 4.49Å; K567-W581 HydrophobicContact CG-CG 3.79Å; W581-G583 PolarHBondContact O-N 3.44Å; W581-G583 VanDerWaalsContact O-N 3.17Å; W581-R584 HydrophobicContact CD2-CB 3.97Å; W581-R584 HydrophobicContact CD2-CG 3.81Å; W581-R584 HydrophobicContact CE3-CB 4.45Å; W581-R584 HydrophobicContact CE3-CG 4.36Å; W581-R584 HydrophobicContact CG-CB 3.98Å; W581-R584 HydrophobicContact CG-CG 4.17Å; W581-R584 HydrophobicContact CH2-CG 4.48Å; W581-R584 VanDerWaalsContact CH2-NE 3.3Å; W581-R584 VanDerWaalsContact CZ2-CD 3.49Å; W581-R584 HydrophobicContact CZ2-CG 3.95Å; W581-R584 PolarHBondContact O-N 2.83Å; W581-G585 PolarHBondContact O-N 3.28Å
582	P	96.3	Very high	97.5	Very high	17 Å²	17	18.6 Å²	18.6	11%	0.11	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.5	-173	26.8	-38.2	0	0	0	112.7	W565 T566 Y580 R584 G585 Q588	W565-P582 WeakPolarHBondContact O-CG 3.43Å; T566-P582 WeakPolarHBondContact O-CD 3.07Å; Y580-P582 HydrophobicContact CD2-CG 4.43Å; P582-R584 PolarHBondContact O-N 3Å; P582-G585 PolarHBondContact O-N 3.46Å; P582-Q588 VanDerWaalsContact CA-OE1 3.28Å; P582-Q588 PolarHBondContact O-NE2 2.89Å; P582-Q588 PolarHBondContact O-OE1 2.76Å
583	G	93.6	Very high	97.6	Very high	51 Å²	51	18.6 Å²	18.6	53%	0.526	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.1	175.9	0	0	0	0	0	114.2	W581	W581-G583 PolarHBondContact O-N 3.44Å; W581-G583 VanDerWaalsContact O-N 3.17Å
584	R	95.5	Very high	97.6	Very high	89 Å²	89	15.7 Å²	15.7	34%	0.336	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-39	171.8	-75.7	-154.6	-177.5	-150.8	4.6	113.1	Q454 W581 P582	Q454-R584 VanDerWaalsContact OE1-NH2 3.07Å; W581-R584 HydrophobicContact CD2-CB 3.97Å; W581-R584 HydrophobicContact CD2-CG 3.81Å; W581-R584 HydrophobicContact CE3-CB 4.45Å; W581-R584 HydrophobicContact CE3-CG 4.36Å; W581-R584 HydrophobicContact CG-CB 3.98Å; W581-R584 HydrophobicContact CG-CG 4.17Å; W581-R584 HydrophobicContact CH2-CG 4.48Å; W581-R584 VanDerWaalsContact CH2-NE 3.3Å; W581-R584 VanDerWaalsContact CZ2-CD 3.49Å; W581-R584 HydrophobicContact CZ2-CG 3.95Å; W581-R584 PolarHBondContact O-N 2.83Å; P582-R584 PolarHBondContact O-N 3Å
585	G	96	Very high	97.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.			trans	61.6	-167.2	-171.3	0	0	0	0	0	112.3	W273 G274 W581 P582 Q587	W273-G585 CarbonylContact C-O 3.52Å; W273-G585 WeakPolarHBondContact CA-O 3.12Å; G274-G585 PolarHBondContact N-O 3.34Å; W581-G585 PolarHBondContact O-N 3.28Å; P582-G585 PolarHBondContact O-N 3.46Å; G585-Q587 VanDerWaalsContact C-N 3.34Å
586	P	97.2	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	S	Bend	cis	-77.5	-21.1	5.5	33.4	-36.5	0	0	0	112.6	D271 H272 D275 H277 L627 A629 T630	D271-P586 HydrophobicContact CB-CG 4.44Å; H272-P586 WeakPolarHBondContact O-CD 3.31Å; D275-P586 WeakPolarHBondContact O-CB 3.33Å; D275-P586 VanDerWaalsContact O-CD 3.27Å; D275-P586 WeakPolarHBondContact O-CD 3.41Å; D275-P586 WeakPolarHBondContact O-CG 3.37Å; H277-P586 HydrophobicContact CB-CB 4.09Å; H277-P586 HydrophobicContact CB-CG 4.26Å; P586-L627 CarbonylContact C-O 3.5Å; P586-L627 VanDerWaalsContact CB-O 3.31Å; P586-L627 WeakPolarHBondContact CB-O 3.23Å; P586-L627 CarbonylContact O-C 3.54Å; P586-L627 VanDerWaalsContact O-C 3.28Å; P586-L627 VanDerWaalsContact O-O 3.05Å; P586-A629 WeakPolarHBondContact CA-O 3.33Å; P586-A629 PolarHBondContact O-N 2.78Å; P586-A629 VanDerWaalsContact O-N 3.13Å; P586-A629 VanDerWaalsContact O-O 3.14Å; P586-T630 HydrophobicContact CB-CG2 4.14Å
587	Q	98.1	Very high	97.6	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.014	9%	0.089	C	C	.	.			trans	-67	127.5	175.2	179.3	177.4	13.1	0	0	112.4	W273 G585 T589 L627	W273-Q587 HydrophobicContact CH2-CB 3.82Å; W273-Q587 HydrophobicContact CH2-CG 4.12Å; W273-Q587 HydrophobicContact CZ3-CB 3.85Å; W273-Q587 WeakPolarHBondContact CZ3-O 3.27Å; G585-Q587 VanDerWaalsContact C-N 3.34Å; Q587-T589 VanDerWaalsContact CG-O 3.31Å; Q587-T589 WeakPolarHBondContact CG-O 3.35Å; Q587-T589 PolarHBondContact NE2-O 3.07Å; Q587-L627 HydrophobicContact CB-CD2 4.38Å; Q587-L627 HydrophobicContact CG-CD2 3.94Å
588	Q	97.8	Very high	97.5	Very high	30 Å²	30	16.8 Å²	16.8	14%	0.14	10%	0.098	C	C	.	.			trans	-117	-16	177.6	-59.8	-62.9	-40.4	0	0	113.5	P582 Q626 A629	P582-Q588 VanDerWaalsContact CA-OE1 3.28Å; P582-Q588 PolarHBondContact O-NE2 2.89Å; P582-Q588 PolarHBondContact O-OE1 2.76Å; Q588-Q626 HydrophobicContact CB-CB 3.91Å; Q588-Q626 WeakPolarHBondContact CB-O 3.42Å; Q588-Q626 PolarHBondContact N-O 3.49Å; Q588-A629 HydrophobicContact CG-CB 3.53Å; Q588-A629 PolarHBondContact NE2-O 2.94Å
589	T	98.6	Very high	97.4	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.2	-179.7	53	0	0	0	0	111.7	F559 L560 K561 Q587 P625 Q626	F559-T589 HydrophobicContact CB-CG2 4.27Å; L560-T589 CarbonylContact O-C 3.17Å; L560-T589 VanDerWaalsContact O-CA 3.23Å; L560-T589 WeakPolarHBondContact O-CA 3.5Å; K561-T589 HydrophobicContact CB-CG2 3.96Å; K561-T589 HydrophobicContact CG-CG2 4.41Å; Q587-T589 VanDerWaalsContact CG-O 3.31Å; Q587-T589 WeakPolarHBondContact CG-O 3.35Å; Q587-T589 PolarHBondContact NE2-O 3.07Å; T589-P625 WeakPolarHBondContact OG1-CA 3.44Å; T589-Q626 HydrophobicContact CG2-CB 4.04Å; T589-Q626 HydrophobicContact CG2-CG 4.38Å; T589-Q626 PolarHBondContact N-O 3.36Å; T589-Q626 PolarHBondContact OG1-N 2.74Å
590	L	98.9	Very high	97.3	Very high	3 Å²	3	24 Å²	24	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.5	167.8	-57	171.7	0	0	0	109.7	T327 F559 L560 L562 V570 L577 R579	T327-L590 HydrophobicContact CG2-CD2 3.8Å; F559-L590 CarbonylContact C-O 3.52Å; F559-L590 WeakPolarHBondContact CA-O 3.32Å; L560-L590 PolarHBondContact N-O 2.89Å; L560-L590 PolarHBondContact O-N 3.33Å; L562-L590 HydrophobicContact CD1-CD1 4.32Å; V570-L590 HydrophobicContact CB-CD1 4.06Å; V570-L590 HydrophobicContact CG2-CD1 3.53Å; L577-L590 HydrophobicContact CB-CD1 4.43Å; R579-L590 WeakPolarHBondContact O-CD2 3.42Å
591	Y	98.9	Very high	97.1	Very high	5 Å²	5	29 Å²	29	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.9	171	174.7	-131	0	0	0	110.6	Y60 F310 E337 A338 D557 F559 P593	Y60-Y591 VanDerWaalsContact CE2-OH 3.27Å; Y60-Y591 WeakPolarHBondContact CE2-OH 3.41Å; F310-Y591 HydrophobicContact CZ-CD1 4.42Å; E337-Y591 HydrophobicContact CG-CD1 4.25Å; E337-Y591 HydrophobicContact CG-CG 4.3Å; A338-Y591 HydrophobicContact CB-CD2 4.02Å; A338-Y591 HydrophobicContact CB-CE2 3.66Å; D557-Y591 HydrophobicContact CB-CE2 3.94Å; D557-Y591 PolarHBondContact OD1-OH 3Å; D557-Y591 PolarHBondContact OD2-OH 3.27Å; F559-Y591 HydrophobicContact CD1-CD2 4.21Å; F559-Y591 AromaticContact CE1-CD2 3.68Å; F559-Y591 HydrophobicContact CE1-CD2 3.68Å; F559-Y591 HydrophobicContact CE1-CG 4.29Å; F559-Y591 HydrophobicContact CZ-CD2 4.16Å; Y591-P593 HydrophobicContact CD1-CG 4.05Å; Y591-P593 HydrophobicContact CE1-CB 4.24Å; Y591-P593 HydrophobicContact CE1-CG 3.62Å
592	V	98.8	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	102.9	173.9	-173.5	0	0	0	0	108.1	T558 L560 I572 L577 G594 L597 F621	T558-V592 HydrophobicContact CG2-CB 3.65Å; T558-V592 HydrophobicContact CG2-CG1 4.06Å; T558-V592 HydrophobicContact CG2-CG2 4.2Å; T558-V592 PolarHBondContact N-O 2.98Å; T558-V592 PolarHBondContact O-N 2.78Å; L560-V592 HydrophobicContact CB-CG2 3.99Å; I572-V592 HydrophobicContact CD1-CG1 3.95Å; I572-V592 HydrophobicContact CD1-CG2 4.09Å; L577-V592 HydrophobicContact CD1-CG2 3.79Å; V592-G594 PolarHBondContact O-N 2.87Å; V592-L597 HydrophobicContact CG1-CD2 4.18Å; V592-L597 HydrophobicContact CG1-CG 4.39Å; V592-F621 HydrophobicContact CG2-CE1 4.21Å
593	P	98.5	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.186	C	C	.	.			trans	-57.5	128.4	172.1	-20.3	26.1	0	0	0	111	P57 Y60 F310 D557 Y591 P595 L596	P57-P593 HydrophobicContact CG-CB 4.02Å; P57-P593 HydrophobicContact CG-CG 3.68Å; Y60-P593 HydrophobicContact CE2-CB 4Å; F310-P593 HydrophobicContact CE1-CG 4.3Å; F310-P593 HydrophobicContact CZ-CG 3.78Å; D557-P593 WeakPolarHBondContact OD1-CA 3.23Å; Y591-P593 HydrophobicContact CD1-CG 4.05Å; Y591-P593 HydrophobicContact CE1-CB 4.24Å; Y591-P593 HydrophobicContact CE1-CG 3.62Å; P593-P595 VanDerWaalsContact C-CD 3.42Å; P593-P595 VanDerWaalsContact C-N 3.32Å; P593-L596 HydrophobicContact CB-CD1 4.35Å; P593-L596 HydrophobicContact CB-CG 4.12Å; P593-L596 HydrophobicContact CG-CD1 4.04Å; P593-L596 HydrophobicContact CG-CG 4.32Å; P593-L596 VanDerWaalsContact O-CB 3.26Å; P593-L596 WeakPolarHBondContact O-CB 3.44Å; P593-L596 PolarHBondContact O-N 3.19Å
594	G	97.9	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-50.3	-41.6	177.4	0	0	0	0	0	114.3	A555 D557 V592 L596 L597	A555-G594 CarbonylContact O-C 3.53Å; A555-G594 WeakPolarHBondContact O-CA 3.44Å; D557-G594 PolarHBondContact OD1-N 2.93Å; V592-G594 PolarHBondContact O-N 2.87Å; G594-L596 PolarHBondContact O-N 3.43Å; G594-L596 VanDerWaalsContact O-N 3.07Å; G594-L597 WeakPolarHBondContact O-CA 3.29Å; G594-L597 WeakPolarHBondContact O-CB 3.48Å; G594-L597 PolarHBondContact O-N 2.72Å
595	P	96.3	Very high	97.3	Very high	54 Å²	54	26.6 Å²	26.6	35%	0.351	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-59.6	-16.8	175.5	-26.6	34.4	0	0	0	115.4	Y59 Y60 P593 L597	Y59-P595 HydrophobicContact CD1-CB 4.25Å; Y59-P595 HydrophobicContact CD1-CG 3.2Å; Y59-P595 HydrophobicContact CD2-CB 4.26Å; Y59-P595 HydrophobicContact CD2-CG 4.01Å; Y59-P595 HydrophobicContact CE1-CG 3.57Å; Y59-P595 HydrophobicContact CE2-CG 4.32Å; Y59-P595 HydrophobicContact CG-CB 4Å; Y59-P595 HydrophobicContact CG-CG 3.44Å; Y59-P595 VanDerWaalsContact CG-CG 3.44Å; Y60-P595 HydrophobicContact CE2-CG 4.24Å; Y60-P595 VanDerWaalsContact OH-CD 3.3Å; Y60-P595 WeakPolarHBondContact OH-CD 3.5Å; P593-P595 VanDerWaalsContact C-CD 3.42Å; P593-P595 VanDerWaalsContact C-N 3.32Å; P595-L597 VanDerWaalsContact C-N 3.26Å
596	L	96.3	Very high	97.5	Very high	36 Å²	36	26.8 Å²	26.8	19%	0.188	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-75.1	-18.5	172	-59.8	-175.5	0	0	0	112.4	N573 V575 L577 P593 G594	N573-L596 PolarHBondContact ND2-O 3.19Å; V575-L596 HydrophobicContact CB-CD1 4.27Å; V575-L596 HydrophobicContact CB-CD2 4.12Å; V575-L596 HydrophobicContact CG1-CD1 3.96Å; V575-L596 HydrophobicContact CG1-CD2 4.07Å; V575-L596 HydrophobicContact CG2-CD2 3.81Å; L577-L596 HydrophobicContact CD2-CD1 3.7Å; P593-L596 HydrophobicContact CB-CD1 4.35Å; P593-L596 HydrophobicContact CB-CG 4.12Å; P593-L596 HydrophobicContact CG-CD1 4.04Å; P593-L596 HydrophobicContact CG-CG 4.32Å; P593-L596 VanDerWaalsContact O-CB 3.26Å; P593-L596 WeakPolarHBondContact O-CB 3.44Å; P593-L596 PolarHBondContact O-N 3.19Å; G594-L596 PolarHBondContact O-N 3.43Å; G594-L596 VanDerWaalsContact O-N 3.07Å
597	L	97.5	Very high	97.5	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.058	16%	0.16	C	C	.	.	S	Bend	trans	-93.8	137	-177.9	-56.2	177.9	0	0	0	110.9	Y372 A555 T558 I572 V592 G594 P595 N603	Y372-L597 HydrophobicContact CD2-CD1 4.47Å; Y372-L597 HydrophobicContact CE2-CD1 3.71Å; A555-L597 HydrophobicContact CB-CB 4.41Å; T558-L597 HydrophobicContact CG2-CD1 4.18Å; I572-L597 HydrophobicContact CG2-CD2 3.99Å; V592-L597 HydrophobicContact CG1-CD2 4.18Å; V592-L597 HydrophobicContact CG1-CG 4.39Å; G594-L597 WeakPolarHBondContact O-CA 3.29Å; G594-L597 WeakPolarHBondContact O-CB 3.48Å; G594-L597 PolarHBondContact O-N 2.72Å; P595-L597 VanDerWaalsContact C-N 3.26Å; L597-N603 WeakPolarHBondContact CA-OD1 3.39Å; L597-N603 HydrophobicContact CD2-CB 4.45Å
598	S	96.3	Very high	97.5	Very high	30 Å²	30	26.7 Å²	26.7	21%	0.21	16%	0.159	C	C	.	.			trans	-85.3	132.8	168.8	-175.5	0	0	0	0	110.7	S600 L601 N603	S598-S600 VanDerWaalsContact C-N 3.29Å; S598-S600 PolarHBondContact OG-N 3.18Å; S598-L601 WeakPolarHBondContact OG-CB 3.35Å; S598-L601 PolarHBondContact OG-N 3.02Å; S598-N603 PolarHBondContact N-OD1 2.87Å; S598-N603 PolarHBondContact O-ND2 3.32Å
599	T	96.6	Very high	97.6	Very high	69 Å²	69	25.3 Å²	25.3	42%	0.423	15%	0.152	S	C	.	.	S	Bend	trans	-77.9	-14.4	174.4	57.4	0	0	0	0	113.2	P551 G553 A555	P551-T599 WeakPolarHBondContact CB-O 3.21Å; G553-T599 WeakPolarHBondContact CA-O 3.45Å; G553-T599 PolarHBondContact N-O 3Å; A555-T599 HydrophobicContact CB-CG2 3.54Å
600	S	96.3	Very high	97.5	Very high	86 Å²	86	25.2 Å²	25.2	60%	0.601	15%	0.152	S	C	*	.	S	Bend	trans	-131.6	-22.2	-169.1	56.4	0	0	0	0	114.3	S598	S598-S600 VanDerWaalsContact C-N 3.29Å; S598-S600 PolarHBondContact OG-N 3.18Å
601	L	95.6	Very high	97.4	Very high	111 Å²	111	26.7 Å²	26.7	58%	0.581	16%	0.158	S	C	*	.	S	Bend	trans	-108.6	151.8	178	-59.4	176.9	0	0	0	110.7	S598 N603	S598-L601 WeakPolarHBondContact OG-CB 3.35Å; S598-L601 PolarHBondContact OG-N 3.02Å; L601-N603 PolarHBondContact O-N 3.39Å; L601-N603 PolarHBondContact O-ND2 3.31Å
602	P	95.8	Very high	97.1	Very high	62 Å²	62	27.3 Å²	27.3	40%	0.403	17%	0.167	S	C	.	.			trans	-57.7	133.4	171.3	-18.1	29.8	0	0	0	111.7	T548	T548-P602 HydrophobicContact CG2-CB 3.26Å
603	N	97.3	Very high	96.9	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.3	-179.2	-67.9	-76.6	0	0	0	109.4	T548 L549 N573 L597 S598 L601	T548-N603 CarbonylContact C-O 3.48Å; T548-N603 VanDerWaalsContact CA-O 3.3Å; T548-N603 WeakPolarHBondContact CA-O 3.38Å; L549-N603 HydrophobicContact CB-CB 4.03Å; L549-N603 PolarHBondContact N-O 3.18Å; L549-N603 WeakPolarHBondContact O-CB 3.25Å; L549-N603 PolarHBondContact O-N 3Å; N573-N603 PolarHBondContact ND2-OD1 3.46Å; N573-N603 VanDerWaalsContact OD1-CA 3.32Å; N573-N603 WeakPolarHBondContact OD1-CA 3.4Å; L597-N603 WeakPolarHBondContact CA-OD1 3.39Å; L597-N603 HydrophobicContact CD2-CB 4.45Å; S598-N603 PolarHBondContact N-OD1 2.87Å; S598-N603 PolarHBondContact O-ND2 3.32Å; L601-N603 PolarHBondContact O-N 3.39Å; L601-N603 PolarHBondContact O-ND2 3.31Å
604	N	97.1	Very high	96.7	Very high	53 Å²	53	28.2 Å²	28.2	28%	0.283	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.6	-173.9	-75.1	-15.6	0	0	0	110.5	H524 I572 N573	H524-N604 VanDerWaalsContact CB-ND2 3.35Å; H524-N604 WeakPolarHBondContact CB-ND2 3.46Å; H524-N604 PolarHBondContact CD2-OD1 2.99Å; H524-N604 WeakPolarHBondContact NE2-CB 3.46Å; I572-N604 CarbonylContact C-O 3.5Å; I572-N604 WeakPolarHBondContact CA-O 3.35Å; N573-N604 PolarHBondContact N-O 3.05Å; N573-N604 PolarHBondContact OD1-N 2.84Å
605	I	98.4	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127	178.9	-54.1	173.3	0	0	0	107.9	V375 H524 T546 G547 L549 V570 W571 I572 I619 F621	V375-I605 HydrophobicContact CB-CD1 4.3Å; V375-I605 HydrophobicContact CG1-CD1 4.09Å; V375-I605 HydrophobicContact CG2-CD1 4.2Å; H524-I605 PolarHBondContact CE1-O 3.37Å; T546-I605 CarbonylContact C-O 3.54Å; T546-I605 VanDerWaalsContact CA-O 3.28Å; T546-I605 WeakPolarHBondContact CA-O 3.32Å; T546-I605 PolarHBondContact OG1-O 2.97Å; G547-I605 PolarHBondContact N-O 3.42Å; G547-I605 PolarHBondContact O-N 2.75Å; L549-I605 HydrophobicContact CB-CD1 4.18Å; V570-I605 HydrophobicContact CG1-CG2 4.42Å; W571-I605 WeakPolarHBondContact O-CA 3.38Å; I572-I605 HydrophobicContact CG1-CG1 4.34Å; I605-I619 HydrophobicContact CD1-CD1 3.84Å; I605-I619 HydrophobicContact CG2-CD1 3.78Å; I605-F621 HydrophobicContact CD1-CE2 3.61Å; I605-F621 HydrophobicContact CD1-CZ 3.61Å
606	T	98.4	Very high	96.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.2	170.4	-55	0	0	0	0	108.3	I518 W522 P523 H524 F544 W571	I518-T606 HydrophobicContact CD1-CG2 3.83Å; I518-T606 HydrophobicContact CG1-CG2 4.35Å; W522-T606 HydrophobicContact CZ3-CG2 4.48Å; P523-T606 VanDerWaalsContact CD-OG1 3.28Å; P523-T606 WeakPolarHBondContact CD-OG1 3.33Å; P523-T606 HydrophobicContact CG-CG2 4.44Å; H524-T606 PolarHBondContact CE1-OG1 3.14Å; F544-T606 HydrophobicContact CD1-CG2 4.14Å; W571-T606 HydrophobicContact CE3-CG2 4.44Å; W571-T606 PolarHBondContact N-O 3.4Å; W571-T606 PolarHBondContact O-N 2.8Å
607	L	98.3	Very high	96.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.5	-177.5	-179.4	74.1	0	0	0	109	L377 F544 Y545 L562 W565 V570 Y580	L377-L607 HydrophobicContact CD1-CB 4.02Å; L377-L607 HydrophobicContact CD1-CD2 3.44Å; L377-L607 VanDerWaalsContact CD1-CD2 3.44Å; L377-L607 HydrophobicContact CD1-CG 4.36Å; F544-L607 CarbonylContact C-O 3.28Å; F544-L607 WeakPolarHBondContact CA-O 3.45Å; Y545-L607 PolarHBondContact N-O 3.38Å; Y545-L607 PolarHBondContact O-N 2.89Å; L562-L607 HydrophobicContact CD2-CD1 3.51Å; L562-L607 HydrophobicContact CD2-CD2 4.28Å; W565-L607 HydrophobicContact CD2-CD2 3.82Å; W565-L607 HydrophobicContact CE3-CD2 3.5Å; W565-L607 VanDerWaalsContact CE3-CD2 3.5Å; W565-L607 HydrophobicContact CH2-CD2 3.38Å; W565-L607 HydrophobicContact CZ2-CD2 3.7Å; W565-L607 HydrophobicContact CZ3-CD2 3.27Å; W565-L607 HydrophobicContact CZ3-CG 4.41Å; V570-L607 HydrophobicContact CB-CD1 4.42Å; V570-L607 HydrophobicContact CG2-CD1 3.63Å; Y580-L607 HydrophobicContact CD1-CD1 4.21Å; Y580-L607 HydrophobicContact CE1-CD1 3.36Å; Y580-L607 HydrophobicContact CE1-CG 4.39Å
608	L	98.6	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	107.3	166.5	174.2	58.7	0	0	0	108.3	I383 Y413 I514 F544 G568 Q569 W571 L610	I383-L608 HydrophobicContact CD1-CD1 4.03Å; Y413-L608 HydrophobicContact CD2-CD2 3.99Å; Y413-L608 HydrophobicContact CE1-CD2 4.42Å; Y413-L608 HydrophobicContact CE2-CD2 3.68Å; Y413-L608 HydrophobicContact CG-CD2 4.49Å; I514-L608 HydrophobicContact CD1-CD2 4.22Å; F544-L608 HydrophobicContact CD1-CB 4.02Å; F544-L608 HydrophobicContact CD1-CD1 4.23Å; F544-L608 HydrophobicContact CD2-CD1 4.12Å; F544-L608 HydrophobicContact CE1-CB 3.79Å; F544-L608 HydrophobicContact CE1-CD1 4.12Å; F544-L608 HydrophobicContact CE1-CD2 4.31Å; F544-L608 HydrophobicContact CE1-CG 4.29Å; F544-L608 HydrophobicContact CE2-CD1 4.02Å; F544-L608 HydrophobicContact CG-CD1 4.25Å; F544-L608 HydrophobicContact CZ-CB 4.39Å; F544-L608 HydrophobicContact CZ-CD1 4.02Å; F544-L608 HydrophobicContact CZ-CD2 4.13Å; F544-L608 HydrophobicContact CZ-CG 4.41Å; G568-L608 CarbonylContact C-O 3.38Å; G568-L608 WeakPolarHBondContact CA-O 3.33Å; Q569-L608 HydrophobicContact CB-CB 4.45Å; Q569-L608 PolarHBondContact N-O 3.02Å; Q569-L608 PolarHBondContact O-N 3.12Å; W571-L608 HydrophobicContact CH2-CB 4.28Å; W571-L608 HydrophobicContact CZ3-CB 3.89Å; L608-L610 HydrophobicContact CD1-CD2 4.21Å; L608-L610 HydrophobicContact CD2-CD2 3.93Å; L608-L610 HydrophobicContact CG-CD2 3.79Å; L608-L610 HydrophobicContact CG-CG 4.45Å
609	E	98.3	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.4	171.5	170.4	56.4	-124.9	0	0	109.1	P542 T543 Y545 W565 T566 K567 Y580 E611 G612 A613	P542-E609 CarbonylContact C-O 3.57Å; P542-E609 WeakPolarHBondContact CA-O 3.25Å; T543-E609 PolarHBondContact N-O 2.92Å; T543-E609 PolarHBondContact O-N 3.17Å; Y545-E609 HydrophobicContact CD2-CB 4.31Å; Y545-E609 HydrophobicContact CE2-CB 4.1Å; W565-E609 HydrophobicContact CE3-CB 3.78Å; W565-E609 HydrophobicContact CE3-CG 3.86Å; W565-E609 HydrophobicContact CZ3-CB 3.74Å; W565-E609 HydrophobicContact CZ3-CG 4.1Å; T566-E609 WeakPolarHBondContact CB-OE1 3.4Å; T566-E609 PolarHBondContact N-OE2 3.45Å; K567-E609 PolarHBondContact N-OE1 2.79Å; K567-E609 PolarHBondContact N-OE2 2.9Å; Y580-E609 WeakPolarHBondContact CE2-OE2 3.41Å; Y580-E609 WeakPolarHBondContact OH-CA 3.43Å; Y580-E609 WeakPolarHBondContact OH-CB 3.2Å; Y580-E609 PolarHBondContact OH-OE2 2.89Å; E609-E611 PolarHBondContact OE1-N 2.74Å; E609-G612 PolarHBondContact OE1-N 2.77Å; E609-A613 HydrophobicContact CG-CB 4.17Å
610	L	98.1	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-107.5	-23.1	-167.5	-60.9	168	0	0	0	113.7	Y413 Y442 L474 G541 P542 K567 L608	Y413-L610 HydrophobicContact CD1-CD2 4.35Å; Y413-L610 HydrophobicContact CE1-CD1 3.72Å; Y413-L610 HydrophobicContact CE1-CD2 3.77Å; Y413-L610 HydrophobicContact CE1-CG 4.41Å; Y442-L610 HydrophobicContact CD1-CB 4.26Å; Y442-L610 WeakPolarHBondContact CD1-O 3.37Å; Y442-L610 HydrophobicContact CD2-CD2 4.48Å; Y442-L610 HydrophobicContact CE1-CB 3.65Å; Y442-L610 HydrophobicContact CE2-CB 4.01Å; Y442-L610 HydrophobicContact CE2-CD1 3.98Å; Y442-L610 HydrophobicContact CE2-CD2 4.11Å; Y442-L610 HydrophobicContact CE2-CG 4.26Å; Y442-L610 VanDerWaalsContact CZ-CB 3.48Å; Y442-L610 VanDerWaalsContact OH-CD1 3.25Å; Y442-L610 WeakPolarHBondContact OH-CD1 3.2Å; L474-L610 HydrophobicContact CD2-CD2 4.03Å; G541-L610 CarbonylContact C-O 3.39Å; G541-L610 WeakPolarHBondContact CA-O 3.06Å; P542-L610 HydrophobicContact CB-CD2 4.36Å; P542-L610 VanDerWaalsContact CD-O 3.26Å; P542-L610 WeakPolarHBondContact CD-O 3.36Å; P542-L610 HydrophobicContact CG-CD2 4.49Å; K567-L610 HydrophobicContact CG-CD1 4.44Å; K567-L610 WeakPolarHBondContact O-CB 3.2Å; K567-L610 PolarHBondContact O-N 2.81Å; L608-L610 HydrophobicContact CD1-CD2 4.21Å; L608-L610 HydrophobicContact CD2-CD2 3.93Å; L608-L610 HydrophobicContact CG-CD2 3.79Å; L608-L610 HydrophobicContact CG-CG 4.45Å
611	E	95.5	Very high	96.4	Very high	34 Å²	34	26.6 Å²	26.6	16%	0.159	15%	0.152	C	C	.	.	S	Bend	trans	-123.2	-52.8	-171.8	-64	-177.1	-164.7	0	0	112	R440 Y442 G541 T566 K567 E609	R440-E611 IonicContact CZ-OE1 3.71Å; R440-E611 IonicContact NE-OE1 3.34Å; R440-E611 PolarHBondContact NE-OE1 2.77Å; R440-E611 IonicContact NH2-OE1 3.64Å; R440-E611 PolarHBondContact NH2-OE1 3.5Å; R440-E611 IonicContact NH2-OE2 3.59Å; Y442-E611 HydrophobicContact CD1-CG 4.26Å; Y442-E611 HydrophobicContact CE1-CG 3.63Å; G541-E611 PolarHBondContact N-O 3.41Å; T566-E611 HydrophobicContact CG2-CB 3.75Å; T566-E611 HydrophobicContact CG2-CG 4.49Å; K567-E611 HydrophobicContact CB-CG 4.46Å; E609-E611 PolarHBondContact OE1-N 2.74Å
612	G	92.8	Very high	96.5	Very high	19 Å²	19	23.4 Å²	23.4	20%	0.196	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-163.5	126.2	-176.7	0	0	0	0	0	112.6	T566 E609	T566-G612 PolarHBondContact OG1-O 2.82Å; E609-G612 PolarHBondContact OE1-N 2.77Å
613	A	94.9	Very high	96.6	Very high	11 Å²	11	23.9 Å²	23.9	9%	0.091	13%	0.134	C	C	.	.			trans	-92.4	142	174.8	0	0	0	0	0	111	P538 S539 Y545 W565 E609 L617	P538-A613 VanDerWaalsContact CB-O 3.23Å; P538-A613 WeakPolarHBondContact CB-O 3.19Å; S539-A613 PolarHBondContact O-N 2.88Å; Y545-A613 HydrophobicContact CE1-CB 4.33Å; Y545-A613 HydrophobicContact CE2-CB 3.89Å; Y545-A613 WeakPolarHBondContact OH-CB 3.43Å; W565-A613 HydrophobicContact CE3-CB 4.1Å; W565-A613 HydrophobicContact CH2-CB 4.18Å; W565-A613 HydrophobicContact CZ3-CB 3.61Å; E609-A613 HydrophobicContact CG-CB 4.17Å; A613-L617 HydrophobicContact CB-CD2 3.89Å
614	P	94.9	Very high	96.6	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.052	17%	0.165	C	C	.	.			trans	-72.9	150.9	178.6	30.9	-35.1	0	0	0	111.3	E564 W565 H616 L617	E564-P614 HydrophobicContact CB-CB 3.68Å; E564-P614 HydrophobicContact CB-CG 4.37Å; W565-P614 HydrophobicContact CD2-CG 3.95Å; W565-P614 HydrophobicContact CG-CG 4.02Å; W565-P614 HydrophobicContact CZ2-CG 4.26Å; P614-H616 PolarHBondContact O-N 3.27Å; P614-H616 VanDerWaalsContact O-N 3.09Å; P614-L617 VanDerWaalsContact O-CD2 3.25Å; P614-L617 WeakPolarHBondContact O-CD2 3.5Å; P614-L617 PolarHBondContact O-N 2.9Å
615	A	91.3	Very high	96.7	Very high	77 Å²	77	32.4 Å²	32.4	64%	0.636	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29	-178.7	0	0	0	0	0	113.4	P538	P538-A615 HydrophobicContact CG-CB 4.35Å
616	H	92.1	Very high	96.6	Very high	50 Å²	50	35.4 Å²	35.4	23%	0.231	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.5	-178.9	66.1	68.7	0	0	0	114	I563 E564 P614 R618	I563-H616 PolarHBondContact O-NE2 2.9Å; E564-H616 IonicContact OE2-CD2 3.97Å; E564-H616 IonicContact OE2-NE2 2.8Å; P614-H616 PolarHBondContact O-N 3.27Å; P614-H616 VanDerWaalsContact O-N 3.09Å; H616-R618 VanDerWaalsContact C-N 3.29Å; H616-R618 PolarHBondContact CE1-O 3.35Å; H616-R618 VanDerWaalsContact CE1-O 3.32Å; H616-R618 WeakPolarHBondContact ND1-CB 3.4Å; H616-R618 PolarHBondContact ND1-N 2.9Å; H616-R618 WeakPolarHBondContact O-CG 3.39Å; H616-R618 PolarHBondContact O-N 2.8Å
617	L	95	Very high	96.5	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.187	C	C	.	.			trans	44.7	48.3	180	-58.8	179	0	0	0	113.9	L377 Y545 W565 A613 P614	L377-L617 PolarHBondContact N-O 3.14Å; Y545-L617 HydrophobicContact CD1-CD2 4.01Å; Y545-L617 HydrophobicContact CE1-CD1 4.12Å; Y545-L617 HydrophobicContact CE1-CD2 3.43Å; Y545-L617 VanDerWaalsContact CE1-CD2 3.43Å; Y545-L617 HydrophobicContact CE1-CG 4.4Å; W565-L617 HydrophobicContact CH2-CD2 3.97Å; W565-L617 HydrophobicContact CZ2-CD2 4.38Å; A613-L617 HydrophobicContact CB-CD2 3.89Å; P614-L617 VanDerWaalsContact O-CD2 3.25Å; P614-L617 WeakPolarHBondContact O-CD2 3.5Å; P614-L617 PolarHBondContact O-N 2.9Å
618	R	96.5	Very high	96	Very high	101 Å²	101	41.5 Å²	41.5	38%	0.381	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.2	-179.6	-71.4	176.3	-62.9	172.4	2.4	110.5	F374 V375 T376 W565 H616	F374-R618 HydrophobicContact CD1-CB 4.16Å; V375-R618 WeakPolarHBondContact O-CA 3.41Å; T376-R618 HydrophobicContact CG2-CG 4.5Å; W565-R618 PolarHBondContact NE1-O 2.85Å; H616-R618 VanDerWaalsContact C-N 3.29Å; H616-R618 PolarHBondContact CE1-O 3.35Å; H616-R618 VanDerWaalsContact CE1-O 3.32Å; H616-R618 WeakPolarHBondContact ND1-CB 3.4Å; H616-R618 PolarHBondContact ND1-N 2.9Å; H616-R618 WeakPolarHBondContact O-CG 3.39Å; H616-R618 PolarHBondContact O-N 2.8Å
619	I	98	Very high	95	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	161.5	166.7	61.5	-177.2	0	0	0	108.4	F374 V375 L377 L560 L562 W565 I605 F621	F374-I619 WeakPolarHBondContact CA-O 3.39Å; V375-I619 HydrophobicContact CB-CD1 4.45Å; V375-I619 HydrophobicContact CB-CG1 4.04Å; V375-I619 PolarHBondContact N-O 2.98Å; V375-I619 PolarHBondContact O-N 3.26Å; L377-I619 HydrophobicContact CD1-CD1 4.24Å; L377-I619 HydrophobicContact CD1-CG2 3.94Å; L377-I619 HydrophobicContact CD2-CD1 3.85Å; L377-I619 HydrophobicContact CD2-CG1 4.27Å; L377-I619 HydrophobicContact CG-CD1 4.38Å; L377-I619 HydrophobicContact CG-CG1 4.48Å; L560-I619 HydrophobicContact CD1-CB 3.99Å; L560-I619 HydrophobicContact CD1-CD1 3.79Å; L560-I619 HydrophobicContact CD1-CG1 3.99Å; L560-I619 HydrophobicContact CD2-CD1 4.46Å; L562-I619 HydrophobicContact CD2-CG2 4.25Å; L562-I619 HydrophobicContact CG-CG2 4.15Å; W565-I619 HydrophobicContact CZ2-CG2 4.42Å; I605-I619 HydrophobicContact CD1-CD1 3.84Å; I605-I619 HydrophobicContact CG2-CD1 3.78Å; I619-F621 HydrophobicContact CD1-CE2 4.48Å
620	V	98.4	Very high	93.1	Very high	14 Å²	14	46 Å²	46	9%	0.085	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.1	-179.6	66.3	0	0	0	0	112	G373 F374 K561 I563 M622	G373-V620 WeakPolarHBondContact O-CA 3.5Å; F374-V620 HydrophobicContact CD1-CB 3.8Å; F374-V620 HydrophobicContact CD1-CG2 4.12Å; F374-V620 HydrophobicContact CD2-CG2 4.4Å; F374-V620 HydrophobicContact CE1-CB 3.79Å; F374-V620 HydrophobicContact CE1-CG1 4.44Å; F374-V620 HydrophobicContact CE1-CG2 4.09Å; F374-V620 HydrophobicContact CE2-CG2 4.36Å; F374-V620 HydrophobicContact CG-CB 4.4Å; F374-V620 HydrophobicContact CG-CG2 4.29Å; F374-V620 HydrophobicContact CZ-CB 4.36Å; F374-V620 HydrophobicContact CZ-CG2 4.2Å; K561-V620 HydrophobicContact CB-CG1 3.72Å; K561-V620 HydrophobicContact CG-CG1 4.39Å; K561-V620 PolarHBondContact N-O 3.41Å; K561-V620 PolarHBondContact O-N 2.89Å; I563-V620 HydrophobicContact CD1-CG1 3.75Å; I563-V620 HydrophobicContact CG1-CG1 4.2Å; V620-M622 HydrophobicContact CG1-CG 4.19Å; V620-M622 HydrophobicContact CG1-SD 4.36Å; V620-M622 HydrophobicContact CG2-CG 4.38Å
621	F	98.6	Very high	90.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	122	171.7	-70.2	-88	0	0	0	109.9	A371 Y372 G373 V375 L549 T558 F559 L560 I572 V592 I605 I619	A371-F621 CarbonylContact C-O 3.37Å; A371-F621 WeakPolarHBondContact CA-O 3.49Å; Y372-F621 HydrophobicContact CD2-CB 4.29Å; Y372-F621 PolarHBondContact N-O 2.99Å; G373-F621 PolarHBondContact N-O 3.05Å; G373-F621 VanDerWaalsContact N-O 3.09Å; G373-F621 PolarHBondContact O-N 2.77Å; V375-F621 HydrophobicContact CG2-CD2 4.05Å; V375-F621 HydrophobicContact CG2-CE2 3.77Å; L549-F621 HydrophobicContact CB-CE2 4.38Å; L549-F621 HydrophobicContact CD2-CD2 4.33Å; L549-F621 HydrophobicContact CD2-CE2 4.12Å; L549-F621 HydrophobicContact CD2-CZ 4.2Å; T558-F621 HydrophobicContact CG2-CD1 3.51Å; T558-F621 HydrophobicContact CG2-CE1 4.14Å; T558-F621 HydrophobicContact CG2-CG 4.46Å; F559-F621 CarbonylContact O-C 3.52Å; F559-F621 WeakPolarHBondContact O-CA 3.45Å; L560-F621 HydrophobicContact CB-CD1 4.46Å; L560-F621 HydrophobicContact CB-CE1 4.36Å; L560-F621 HydrophobicContact CD1-CD1 3.97Å; L560-F621 HydrophobicContact CD1-CD2 4.06Å; L560-F621 HydrophobicContact CD1-CE1 3.76Å; L560-F621 HydrophobicContact CD1-CE2 3.8Å; L560-F621 HydrophobicContact CD1-CG 4.15Å; L560-F621 HydrophobicContact CD1-CZ 3.68Å; I572-F621 HydrophobicContact CD1-CE1 3.7Å; I572-F621 HydrophobicContact CD1-CZ 3.75Å; V592-F621 HydrophobicContact CG2-CE1 4.21Å; I605-F621 HydrophobicContact CD1-CE2 3.61Å; I605-F621 HydrophobicContact CD1-CZ 3.61Å; I619-F621 HydrophobicContact CD1-CE2 4.48Å
622	M	98.3	Very high	88.2	Confident	45 Å²	45	50.4 Å²	50.4	22%	0.222	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	162.5	-175.1	-60	-177.2	59.8	0	0	110.9	T558 F559 K561 V620	T558-M622 PolarHBondContact OG1-O 3.27Å; F559-M622 PolarHBondContact N-O 3.29Å; F559-M622 PolarHBondContact O-N 3.09Å; K561-M622 HydrophobicContact CB-SD 3.89Å; K561-M622 HydrophobicContact CD-SD 3.61Å; K561-M622 HydrophobicContact CG-SD 4.4Å; V620-M622 HydrophobicContact CG1-CG 4.19Å; V620-M622 HydrophobicContact CG1-SD 4.36Å; V620-M622 HydrophobicContact CG2-CG 4.38Å
623	D	98.1	Very high	85.3	Confident	71 Å²	71	60 Å²	60	38%	0.38	33%	0.332	S	S	.	.	S	Bend	trans	-94.2	-1.6	178	64.4	-14.6	0	0	0	113.8	K369 A371	K369-D623 HydrophobicContact CB-CB 4.13Å; K369-D623 VanDerWaalsContact CB-O 3.23Å; K369-D623 WeakPolarHBondContact CB-O 3.43Å; A371-D623 HydrophobicContact CB-CB 4.15Å
624	R	97.7	Very high	82.1	Confident	177 Å²	177	68.3 Å²	68.3	67%	0.668	39%	0.39	S	S	*	.	S	Bend	trans	-136.1	142	-179.5	-65.4	178.1	-174.4	-91.6	-2.3	111.8	F559	F559-R624 VanDerWaalsContact CD2-C 3.45Å
625	P	98	Very high	81.4	Confident	60 Å²	60	71.3 Å²	71.3	39%	0.39	41%	0.407	S	S	.	.			trans	-73.8	157.9	174.3	31.6	-33.3	0	0	0	111.3	F559 T589 L627	F559-P625 HydrophobicContact CD1-CB 3.79Å; F559-P625 HydrophobicContact CE1-CB 3.67Å; F559-P625 HydrophobicContact CE1-CG 4.14Å; F559-P625 HydrophobicContact CE2-CG 4.48Å; F559-P625 HydrophobicContact CG-CB 4.28Å; F559-P625 HydrophobicContact CZ-CB 4.07Å; F559-P625 HydrophobicContact CZ-CG 4.05Å; T589-P625 WeakPolarHBondContact OG1-CA 3.44Å; P625-L627 HydrophobicContact CB-CG 4.31Å
626	Q	97.7	Very high	80.9	Confident	63 Å²	63	71 Å²	71	29%	0.294	39%	0.394	S	S	.	.			trans	-130.9	99	168.7	-66.6	-170.7	-22.4	0	0	108.6	Q588 T589	Q588-Q626 HydrophobicContact CB-CB 3.91Å; Q588-Q626 WeakPolarHBondContact CB-O 3.42Å; Q588-Q626 PolarHBondContact N-O 3.49Å; T589-Q626 HydrophobicContact CG2-CB 4.04Å; T589-Q626 HydrophobicContact CG2-CG 4.38Å; T589-Q626 PolarHBondContact N-O 3.36Å; T589-Q626 PolarHBondContact OG1-N 2.74Å
627	L	95.5	Very high	80.3	Confident	18 Å²	18	72.2 Å²	72.2	9%	0.094	40%	0.404	C	S	.	.			trans	-109.8	-10.5	-175.6	-58.2	-177.1	0	0	0	113.8	H277 D330 P586 Q587 P625	H277-L627 WeakPolarHBondContact CB-O 3.43Å; D330-L627 HydrophobicContact CB-CD1 3.5Å; D330-L627 VanDerWaalsContact CB-CD1 3.5Å; P586-L627 CarbonylContact C-O 3.5Å; P586-L627 VanDerWaalsContact CB-O 3.31Å; P586-L627 WeakPolarHBondContact CB-O 3.23Å; P586-L627 CarbonylContact O-C 3.54Å; P586-L627 VanDerWaalsContact O-C 3.28Å; P586-L627 VanDerWaalsContact O-O 3.05Å; Q587-L627 HydrophobicContact CB-CD2 4.38Å; Q587-L627 HydrophobicContact CG-CD2 3.94Å; P625-L627 HydrophobicContact CB-CG 4.31Å
628	N	88.2	Confident	79.4	Confident	115 Å²	115	76.1 Å²	76.1	62%	0.615	43%	0.425	S	S	*	.			trans	-114.8	22.5	-169.5	66.5	-7.2	0	0	0	114.3	H277	H277-N628 HydrophobicContact CB-CB 4.12Å
629	A	77.2	Confident	78.4	Confident	38 Å²	38	74.5 Å²	74.5	31%	0.314	43%	0.428	S	S	.	.			trans	-101.5	102.1	179.7	0	0	0	0	0	110.4	P586 Q588	P586-A629 WeakPolarHBondContact CA-O 3.33Å; P586-A629 PolarHBondContact O-N 2.78Å; P586-A629 VanDerWaalsContact O-N 3.13Å; P586-A629 VanDerWaalsContact O-O 3.14Å; Q588-A629 HydrophobicContact CG-CB 3.53Å; Q588-A629 PolarHBondContact NE2-O 2.94Å
630	T	59	Low	77	Confident	57 Å²	57	79.3 Å²	79.3	35%	0.35	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-87.8	132.4	163.2	52.3	0	0	0	0	108.8	D275 Q276 P586 G632	D275-T630 VanDerWaalsContact O-CG2 3.25Å; D275-T630 WeakPolarHBondContact O-CG2 3.44Å; Q276-T630 HydrophobicContact CG-CG2 4.07Å; P586-T630 HydrophobicContact CB-CG2 4.14Å; T630-G632 PolarHBondContact O-N 3.43Å; T630-G632 VanDerWaalsContact O-N 3.14Å
631	A	51.3	Low	75.5	Confident	62 Å²	62	84 Å²	84	51%	0.512	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-54.1	124.1	165.1	0	0	0	0	0	107.8	K633	A631-K633 PolarHBondContact O-N 2.75Å
632	G	39.3	Very low	73.7	Confident	64 Å²	64	90.4 Å²	90.4	66%	0.66	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-52	136.5	172.3	0	0	0	0	0	108.2	T630 S634	T630-G632 PolarHBondContact O-N 3.43Å; T630-G632 VanDerWaalsContact O-N 3.14Å; G632-S634 VanDerWaalsContact C-N 3.26Å; G632-S634 PolarHBondContact O-N 2.99Å
633	K	31.8	Very low	71.7	Confident	219 Å²	219	94.2 Å²	94.2	95%	0.952	54%	0.544	S	S	*	.			trans	-57.6	95	171.5	-69.8	-179.8	179.6	177.7	0	107.5	A631	A631-K633 PolarHBondContact O-N 2.75Å
634	S	26.6	Very low	69.3	Low	186 Å²	186	96.3 Å²	96.3	100%	1.301	56%	0.559	S	S	*	*			trans	-87	0	166.5	62.7	0	0	0	0	109	G632	G632-S634 VanDerWaalsContact C-N 3.26Å; G632-S634 PolarHBondContact O-N 2.99Å

Retrieved 634 of 634 residues in 148.5 ms (Link to these results)

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