A0A096MT27_PAPAN Loading...

Plasma kallikrein

AlphaFold DB , UniProt , Accession A0A096MT27, Species PAPAN (Papio anubis, Olive baboon), Gene KLKB1, Length 638 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	32.1	Very low	29.7	Very low	224 Å²	224	164.3 Å²	164.3	100%	1.103	81%	0.806	S	S	*	*				0	111.8	0	-72.9	157.2	70.1	0	0	106.8
2	I	31.1	Very low	29.5	Very low	147 Å²	147	157.8 Å²	157.8	75%	0.754	79%	0.789	S	S	*	*				67.2	89.7	86.2	-62.7	170.4	0	0	0	108.7
3	L	27.6	Very low	29.3	Very low	131 Å²	131	157.5 Å²	157.5	69%	0.686	79%	0.791	S	S	*	*				76.1	114.6	92.7	-101.2	115.9	0	0	0	113.4
4	F	28.7	Very low	29.2	Very low	185 Å²	185	159.4 Å²	159.4	81%	0.811	79%	0.792	S	S	*	*				-169.2	161.1	89.7	-114.4	-81.3	0	0	0	113.3
5	K	33.3	Very low	29	Very low	184 Å²	184	154.5 Å²	154.5	80%	0.8	79%	0.786	S	S	*	*			trans	-80.7	154.7	-179.1	-57.7	164.9	175.2	174.5	0	111.7
6	Q	29	Very low	28.9	Very low	189 Å²	189	153.1 Å²	153.1	88%	0.883	79%	0.788	S	S	*	*				-155.4	112.1	124.6	-114.6	170.7	8.2	0	0	111.5
7	A	30.3	Very low	29.3	Very low	84 Å²	84	150.1 Å²	150.1	69%	0.694	78%	0.778	S	S	*	*			trans	-94.9	112.2	167.7	0	0	0	0	0	108.1	Y9	A7-Y9 PolarHBondContact O-N 3.23Å
8	T	28.6	Very low	29.4	Very low	127 Å²	127	146.7 Å²	146.7	78%	0.779	77%	0.769	S	S	*	*			trans	-78.3	98.4	173	44.3	0	0	0	0	109.7	F10	T8-F10 PolarHBondContact O-N 3.19Å
9	Y	28.4	Very low	30.2	Very low	203 Å²	203	143.1 Å²	143.1	80%	0.796	76%	0.757	S	S	*	*			trans	-60.6	117.1	167.2	-91.9	-100.9	0	0	0	109.8	A7 I11	A7-Y9 PolarHBondContact O-N 3.23Å; Y9-I11 VanDerWaalsContact C-N 3.26Å; Y9-I11 PolarHBondContact O-N 3.05Å
10	F	29.6	Very low	31.5	Very low	201 Å²	201	137.7 Å²	137.7	88%	0.882	74%	0.736	S	S	*	*			trans	-70.3	87.1	162.7	-111.4	-91.9	0	0	0	108.4	T8 S12	T8-F10 PolarHBondContact O-N 3.19Å; F10-S12 VanDerWaalsContact C-N 3.32Å; F10-S12 PolarHBondContact O-N 2.94Å
11	I	27.7	Very low	33.2	Very low	132 Å²	132	133.6 Å²	133.6	68%	0.677	72%	0.718	S	S	*	*			trans	-76.3	91.8	167.6	-58.4	-179.4	0	0	0	107	Y9 L13	Y9-I11 VanDerWaalsContact C-N 3.26Å; Y9-I11 PolarHBondContact O-N 3.05Å; I11-L13 VanDerWaalsContact C-N 3.25Å; I11-L13 HydrophobicContact CG2-CG 4.29Å; I11-L13 PolarHBondContact O-N 2.89Å
12	S	27.3	Very low	35	Very low	86 Å²	86	125.8 Å²	125.8	60%	0.601	68%	0.68	S	S	*	*			trans	-64.3	90.7	162.8	41	0	0	0	0	108.7	F10 F14	F10-S12 VanDerWaalsContact C-N 3.32Å; F10-S12 PolarHBondContact O-N 2.94Å; S12-F14 PolarHBondContact O-N 2.78Å
13	L	27.2	Very low	36.9	Very low	155 Å²	155	122.4 Å²	122.4	81%	0.812	67%	0.667	S	S	*	*			trans	-62	85.2	166.8	-91.8	145.6	0	0	0	109	I11 A15	I11-L13 VanDerWaalsContact C-N 3.25Å; I11-L13 HydrophobicContact CG2-CG 4.29Å; I11-L13 PolarHBondContact O-N 2.89Å; L13-A15 PolarHBondContact O-N 2.82Å
14	F	28.2	Very low	39.2	Very low	183 Å²	183	122 Å²	122	80%	0.803	66%	0.661	S	S	*	*			trans	-61.2	91.5	154.3	-80.1	-85.3	0	0	0	106.9	S12 T16	S12-F14 PolarHBondContact O-N 2.78Å; F14-T16 PolarHBondContact O-N 2.86Å
15	A	25.4	Very low	41.9	Very low	86 Å²	86	115.9 Å²	115.9	71%	0.711	64%	0.637	S	S	*	*			trans	-63.7	90.9	167.5	0	0	0	0	0	107.8	L13 V17	L13-A15 PolarHBondContact O-N 2.82Å; A15-V17 PolarHBondContact O-N 3.28Å
16	T	27.5	Very low	44.6	Very low	132 Å²	132	108.9 Å²	108.9	81%	0.81	61%	0.606	S	S	*	*			trans	-58.1	104.6	165.7	46.1	0	0	0	0	107	F14 S18	F14-T16 PolarHBondContact O-N 2.86Å; T16-S18 PolarHBondContact O-N 2.99Å
17	V	35.8	Very low	47.5	Very low	102 Å²	102	105 Å²	105	62%	0.618	59%	0.588	S	S	*	*			trans	-49.8	125.7	177.3	175.9	0	0	0	0	107.8	A15 C19	A15-V17 PolarHBondContact O-N 3.28Å; V17-C19 PolarHBondContact O-N 2.65Å
18	S	32.2	Very low	50.5	Low	89 Å²	89	104.2 Å²	104.2	62%	0.622	57%	0.572	S	S	*	*			trans	-55.6	105	-175.3	53.1	0	0	0	0	110.3	T16 G20	T16-S18 PolarHBondContact O-N 2.99Å; S18-G20 PolarHBondContact O-N 2.79Å
19	C	43.3	Very low	53.6	Low	79 Å²	79	99.3 Å²	99.3	53%	0.534	54%	0.541	S	S	.	.			trans	-74.3	92.2	178.4	-179.4	0	0	0	0	109.1	V17 K324	V17-C19 PolarHBondContact O-N 2.65Å; C19-K324 PolarHBondContact SG-O 3.38Å
20	G	56.9	Low	56.8	Low	34 Å²	34	90.9 Å²	90.9	35%	0.351	51%	0.509	S	S	.	.	S	Bend	trans	-168.3	170.2	-177.9	0	0	0	0	0	112.3	S18 L22	S18-G20 PolarHBondContact O-N 2.79Å; G20-L22 PolarHBondContact O-N 3.43Å
21	C	66.6	Low	60	Low	52 Å²	52	81.5 Å²	81.5	35%	0.351	47%	0.468	S	S	.	.			trans	-61.2	125.8	180	178.1	0	0	0	0	112.2	C104	C21-C104 WeakPolarHBondContact CA-SG 3.4Å; C21-C104 HydrophobicContact CB-CB 3.85Å; C21-C104 WeakPolarHBondContact CB-SG 3.42Å; C21-C104 WeakPolarHBondContact SG-CB 3.47Å; C21-C104 CovalentContact SG-SG 2.03Å; C21-C104 PolarHBondContact SG-SG 2.92Å
22	L	70.3	Confident	63.2	Low	60 Å²	60	83.9 Å²	83.9	31%	0.314	47%	0.468	S	S	.	.			trans	-115	94.6	177.4	-67	177.3	0	0	0	110.4	G20 H99	G20-L22 PolarHBondContact O-N 3.43Å; L22-H99 HydrophobicContact CB-CB 3.81Å
23	T	71.4	Confident	66.3	Low	77 Å²	77	81.3 Å²	81.3	47%	0.472	46%	0.456	S	S	.	.			trans	-85.3	-15.1	178.8	55.9	0	0	0	0	113.9	L25 L101	T23-L25 PolarHBondContact O-N 3.2Å; T23-L101 HydrophobicContact CG2-CD2 4.12Å
24	Q	75.4	Confident	69.5	Low	122 Å²	122	75.5 Å²	75.5	57%	0.57	43%	0.433	S	S	*	.			trans	-64.8	131.4	-171	-171.1	-179	24.5	0	0	112.6	Y26	Q24-Y26 HydrophobicContact CG-CE1 4.12Å
25	L	85.3	Confident	72.8	Confident	56 Å²	56	71.1 Å²	71.1	29%	0.293	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.3	167.2	-58	-176.9	0	0	0	110.7	T23 F60 I96 S97	T23-L25 PolarHBondContact O-N 3.2Å; L25-F60 HydrophobicContact CD2-CE1 4.25Å; L25-F60 HydrophobicContact CD2-CZ 3.66Å; L25-I96 HydrophobicContact CB-CG2 4.2Å; L25-I96 HydrophobicContact CD1-CG2 4.27Å; L25-S97 CarbonylContact C-O 3.56Å; L25-S97 WeakPolarHBondContact CA-O 3.29Å
26	Y	89.4	Confident	76.1	Confident	38 Å²	38	69.7 Å²	69.7	15%	0.149	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	104.7	178.3	-53.9	-62.2	0	0	0	109.2	Q24 F31 K89 S97 H99	Q24-Y26 HydrophobicContact CG-CE1 4.12Å; Y26-F31 HydrophobicContact CD2-CE2 4.31Å; Y26-F31 AromaticContact CD2-CZ 3.89Å; Y26-F31 HydrophobicContact CD2-CZ 3.89Å; Y26-F31 AromaticContact CE2-CZ 3.92Å; Y26-F31 HydrophobicContact CE2-CZ 3.92Å; Y26-K89 VanDerWaalsContact CE1-NZ 3.32Å; Y26-K89 VanDerWaalsContact CZ-NZ 3.34Å; Y26-S97 PolarHBondContact N-O 3.26Å; Y26-S97 PolarHBondContact O-N 3.16Å; Y26-H99 AromaticContact CE2-CD2 3.81Å; Y26-H99 AromaticContact CE2-NE2 3.64Å; Y26-H99 AromaticContact CZ-NE2 3.86Å; Y26-H99 PolarHBondContact OH-NE2 3.21Å; Y26-H99 VanDerWaalsContact OH-NE2 3.16Å
27	E	91.4	Very high	79.4	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	153.8	174.6	-67.9	-57.4	143	0	0	112.2	T29 A95	E27-T29 PolarHBondContact O-N 2.6Å; E27-T29 PolarHBondContact O-OG1 2.81Å; E27-A95 CarbonylContact C-O 3.6Å
28	N	92.7	Very high	82.2	Confident	67 Å²	67	64.3 Å²	64.3	36%	0.358	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	33.1	-177.8	-58.5	-70.4	0	0	0	114.5	H91 R92 A93 G94 A95	N28-H91 WeakPolarHBondContact O-CA 3.29Å; N28-H91 PolarHBondContact O-ND1 3.33Å; N28-R92 CarbonylContact C-O 3.55Å; N28-R92 WeakPolarHBondContact CA-O 3.22Å; N28-R92 PolarHBondContact O-N 3.18Å; N28-A93 WeakPolarHBondContact OD1-CA 3.39Å; N28-G94 PolarHBondContact OD1-N 2.99Å; N28-A95 CarbonylContact C-O 3.54Å; N28-A95 VanDerWaalsContact CA-O 3.26Å; N28-A95 WeakPolarHBondContact CA-O 3.26Å; N28-A95 PolarHBondContact N-O 2.93Å
29	T	94.4	Very high	85.2	Confident	24 Å²	24	61.5 Å²	61.5	15%	0.147	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135	-170.1	-61.6	0	0	0	0	110.4	E27 K89 A95 S97	E27-T29 PolarHBondContact O-N 2.6Å; E27-T29 PolarHBondContact O-OG1 2.81Å; T29-K89 HydrophobicContact CG2-CB 3.94Å; T29-K89 HydrophobicContact CG2-CD 4.17Å; T29-K89 HydrophobicContact CG2-CG 3.95Å; T29-A95 PolarHBondContact N-O 2.63Å; T29-A95 CarbonylContact O-C 3.53Å; T29-S97 WeakPolarHBondContact O-CB 3.4Å; T29-S97 PolarHBondContact O-OG 3.03Å
30	F	94.9	Very high	87.8	Confident	26 Å²	26	60.6 Å²	60.6	11%	0.114	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135	171.8	-167.2	-88.7	0	0	0	109.8	L63 F78 V90 R92 A95 S97	F30-L63 HydrophobicContact CD2-CD2 3.89Å; F30-L63 HydrophobicContact CE2-CD1 4.37Å; F30-L63 HydrophobicContact CE2-CD2 4.04Å; F30-L63 HydrophobicContact CE2-CG 4.21Å; F30-F78 AromaticContact CE2-CD2 3.92Å; F30-F78 HydrophobicContact CE2-CD2 3.92Å; F30-F78 HydrophobicContact CE2-CE2 4.26Å; F30-F78 HydrophobicContact CZ-CD2 4.14Å; F30-F78 HydrophobicContact CZ-CG 4.36Å; F30-V90 HydrophobicContact CB-CG2 4.04Å; F30-V90 HydrophobicContact CD1-CG2 4.47Å; F30-V90 PolarHBondContact N-O 3.18Å; F30-V90 WeakPolarHBondContact O-CG2 3.47Å; F30-V90 PolarHBondContact O-N 2.89Å; F30-R92 HydrophobicContact CB-CB 4Å; F30-A95 HydrophobicContact CB-CB 4.28Å; F30-A95 HydrophobicContact CD2-CB 4.38Å; F30-S97 WeakPolarHBondContact CA-OG 3.41Å
31	F	96.3	Very high	89.7	Confident	4 Å²	4	59 Å²	59	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123	173.8	-72.1	-60.3	0	0	0	109.9	Y26 L59 F60 S61 K80 L87 K89	Y26-F31 HydrophobicContact CD2-CE2 4.31Å; Y26-F31 AromaticContact CD2-CZ 3.89Å; Y26-F31 HydrophobicContact CD2-CZ 3.89Å; Y26-F31 AromaticContact CE2-CZ 3.92Å; Y26-F31 HydrophobicContact CE2-CZ 3.92Å; F31-L59 HydrophobicContact CD2-CB 4.2Å; F31-L59 HydrophobicContact CD2-CD2 4.42Å; F31-L59 HydrophobicContact CE2-CB 4.29Å; F31-L59 HydrophobicContact CE2-CD2 3.78Å; F31-L59 HydrophobicContact CZ-CD2 3.84Å; F31-F60 WeakPolarHBondContact CD2-O 3.23Å; F31-S61 PolarHBondContact N-OG 2.89Å; F31-K80 HydrophobicContact CB-CD 3.69Å; F31-K80 WeakPolarHBondContact O-CE 3.46Å; F31-K80 PolarHBondContact O-NZ 3.12Å; F31-L87 HydrophobicContact CB-CB 4.01Å; F31-L87 HydrophobicContact CB-CD1 4.15Å; F31-L87 HydrophobicContact CD1-CB 3.84Å; F31-L87 WeakPolarHBondContact CD1-O 3.29Å; F31-L87 HydrophobicContact CG-CB 4.19Å; F31-K89 HydrophobicContact CD1-CG 3.89Å; F31-K89 HydrophobicContact CE1-CD 4.2Å; F31-K89 HydrophobicContact CE1-CG 3.51Å; F31-K89 HydrophobicContact CZ-CG 4.48Å
32	R	94.6	Very high	91	Very high	182 Å²	182	57 Å²	57	69%	0.687	31%	0.308	S	S	*	.			trans	-84.1	126.8	-178.9	-172.3	176.7	179	-179.2	-0.7	111.2	P88 V90	R32-P88 PolarHBondContact N-O 2.63Å; R32-V90 HydrophobicContact CB-CG1 4.34Å
33	G	94.1	Very high	92.2	Very high	33 Å²	33	55.3 Å²	55.3	34%	0.34	30%	0.299	S	S	.	.	S	Bend	trans	75	-164.1	179.4	0	0	0	0	0	113.6	D35 K80	G33-D35 PolarHBondContact O-N 2.67Å; G33-K80 PolarHBondContact O-NZ 3.1Å
34	G	94.4	Very high	93.2	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	28%	0.279	S	S	.	.			trans	70.9	6.9	178.4	0	0	0	0	0	115.4	V36 K80 D81	G34-V36 PolarHBondContact O-N 3.34Å; G34-K80 CarbonylContact O-C 3.53Å; G34-K80 WeakPolarHBondContact O-CA 3.42Å; G34-K80 WeakPolarHBondContact O-CB 3.47Å; G34-D81 WeakPolarHBondContact CA-O 3.4Å; G34-D81 PolarHBondContact O-N 3.22Å
35	D	95.9	Very high	93.8	Very high	90 Å²	90	51.2 Å²	51.2	48%	0.481	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.2	-173.5	-62.7	-69.5	0	0	0	112.5	G33 K80	G33-D35 PolarHBondContact O-N 2.67Å; D35-K80 VanDerWaalsContact CG-NZ 3.34Å; D35-K80 IonicContact OD1-NZ 3.24Å; D35-K80 PolarHBondContact OD1-NZ 3.08Å; D35-K80 IonicContact OD2-NZ 2.74Å; D35-K80 PolarHBondContact OD2-NZ 3.07Å
36	V	96.2	Very high	94.2	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.339	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-26.3	176	-64.4	0	0	0	0	113.2	G34 L79 D81	G34-V36 PolarHBondContact O-N 3.34Å; V36-L79 HydrophobicContact CG2-CB 4.09Å; V36-L79 WeakPolarHBondContact CG2-O 3.48Å; V36-L79 PolarHBondContact N-O 3.36Å; V36-D81 HydrophobicContact CG1-CB 3.67Å
37	A	95.4	Very high	94.5	Very high	32 Å²	32	47 Å²	47	26%	0.264	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	155.7	174.5	0	0	0	0	0	110.9	M39 L79	A37-M39 HydrophobicContact CB-CE 3.67Å; A37-L79 HydrophobicContact CB-CB 4.25Å; A37-L79 HydrophobicContact CB-CD1 4.36Å; A37-L79 PolarHBondContact N-O 2.94Å; A37-L79 WeakPolarHBondContact O-CB 3.5Å; A37-L79 PolarHBondContact O-N 2.02Å
38	S	95.1	Very high	94.6	Very high	89 Å²	89	42.7 Å²	42.7	62%	0.622	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.8	173.8	58.3	0	0	0	0	111.3	C77	S38-C77 WeakPolarHBondContact CA-O 3.35Å
39	M	95.9	Very high	94.5	Very high	30 Å²	30	40.8 Å²	40.8	15%	0.148	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	174.7	179.6	56.6	-133	61.3	0	0	110.4	A37 T41 M50 C77 L79 T175	A37-M39 HydrophobicContact CB-CE 3.67Å; M39-T41 HydrophobicContact CG-CG2 4.22Å; M39-M50 HydrophobicContact SD-CB 4.04Å; M39-M50 HydrophobicContact SD-CE 3.94Å; M39-M50 HydrophobicContact SD-CG 4.31Å; M39-C77 HydrophobicContact CG-CB 4.11Å; M39-C77 PolarHBondContact N-O 3.26Å; M39-C77 WeakPolarHBondContact O-CA 3.41Å; M39-C77 WeakPolarHBondContact O-CB 3.28Å; M39-C77 PolarHBondContact O-N 3.33Å; M39-L79 HydrophobicContact CE-CD1 3.54Å; M39-L79 HydrophobicContact CE-CG 3.67Å; M39-L79 HydrophobicContact SD-CD1 3.85Å; M39-L79 HydrophobicContact SD-CG 4.12Å; M39-T175 HydrophobicContact CG-CG2 4.46Å
40	Y	96.6	Very high	94.6	Very high	60 Å²	60	41.4 Å²	41.4	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	172.4	-59.2	-86.1	0	0	0	110.7	E72 R74 F75 T177 T178	Y40-E72 WeakPolarHBondContact CE1-O 3.39Å; Y40-E72 PolarHBondContact OH-O 3.37Å; Y40-R74 WeakPolarHBondContact CD1-O 3.43Å; Y40-F75 WeakPolarHBondContact CA-O 3.42Å; Y40-F75 HydrophobicContact CD1-CB 4.38Å; Y40-T177 WeakPolarHBondContact CD2-O 3.46Å; Y40-T177 WeakPolarHBondContact CE2-O 3.43Å; Y40-T178 HydrophobicContact CE2-CG2 4.23Å
41	T	96.7	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.			trans	-132.9	146.5	175.2	66.1	0	0	0	0	109.7	M39 N43 C47 M50 F62 F75 C77 I179	M39-T41 HydrophobicContact CG-CG2 4.22Å; T41-N43 VanDerWaalsContact C-N 3.32Å; T41-N43 PolarHBondContact O-N 3.36Å; T41-N43 PolarHBondContact OG1-O 3.29Å; T41-C47 HydrophobicContact CG2-CB 4.34Å; T41-C47 WeakPolarHBondContact OG1-CB 3.36Å; T41-M50 HydrophobicContact CG2-CG 4.12Å; T41-F62 WeakPolarHBondContact O-CE2 3.16Å; T41-F75 PolarHBondContact N-O 3.43Å; T41-F75 WeakPolarHBondContact O-CB 3.35Å; T41-C77 HydrophobicContact CG2-CB 3.65Å; T41-C77 WeakPolarHBondContact OG1-CB 3.45Å; T41-I179 VanDerWaalsContact C-CD1 3.43Å
42	P	95.4	Very high	94.5	Very high	10 Å²	10	40.1 Å²	40.1	7%	0.065	22%	0.221	C	C	.	.	S	Bend	trans	-71.1	-26.8	-174.7	30.1	-39.1	0	0	0	113.4	H46 Y116 I119 M121 I179 F189	P42-H46 HydrophobicContact CG-CB 4.35Å; P42-Y116 HydrophobicContact CB-CD1 3.63Å; P42-Y116 HydrophobicContact CB-CD2 3.95Å; P42-Y116 HydrophobicContact CB-CE1 3.55Å; P42-Y116 HydrophobicContact CB-CE2 3.92Å; P42-Y116 HydrophobicContact CB-CG 3.79Å; P42-Y116 HydrophobicContact CG-CD1 4.14Å; P42-Y116 HydrophobicContact CG-CD2 3.9Å; P42-Y116 HydrophobicContact CG-CE1 3.64Å; P42-Y116 HydrophobicContact CG-CE2 3.4Å; P42-Y116 VanDerWaalsContact CG-CE2 3.4Å; P42-Y116 HydrophobicContact CG-CG 4.23Å; P42-Y116 WeakPolarHBondContact CG-OH 2.99Å; P42-I119 HydrophobicContact CB-CD1 3.56Å; P42-M121 HydrophobicContact CB-SD 4.49Å; P42-M121 HydrophobicContact CG-SD 4.39Å; P42-I179 HydrophobicContact CB-CD1 4.29Å; P42-F189 HydrophobicContact CG-CE2 3.95Å
43	N	93.7	Very high	94.4	Very high	25 Å²	25	33.7 Å²	33.7	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	-146	177.6	175	66.4	11.7	0	0	0	112.1	T41 Q45 H46 C47 Y116	T41-N43 VanDerWaalsContact C-N 3.32Å; T41-N43 PolarHBondContact O-N 3.36Å; T41-N43 PolarHBondContact OG1-O 3.29Å; N43-Q45 PolarHBondContact ND2-OE1 2.76Å; N43-Q45 PolarHBondContact OD1-N 3.02Å; N43-H46 VanDerWaalsContact OD1-CB 3.25Å; N43-H46 WeakPolarHBondContact OD1-CB 3.1Å; N43-H46 PolarHBondContact OD1-N 3.33Å; N43-C47 PolarHBondContact O-N 3.38Å; N43-Y116 HydrophobicContact CB-CE1 4.19Å; N43-Y116 VanDerWaalsContact CG-OH 3.31Å; N43-Y116 PolarHBondContact ND2-OH 3.07Å; N43-Y116 PolarHBondContact OD1-OH 2.9Å
44	A	93	Very high	94.5	Very high	6 Å²	6	34.3 Å²	34.3	5%	0.05	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-33.4	177.7	0	0	0	0	0	113.4	C47 Q48 F60 F62 I96	A44-C47 WeakPolarHBondContact O-CB 3.12Å; A44-C47 PolarHBondContact O-N 3.32Å; A44-Q48 PolarHBondContact O-N 2.86Å; A44-F60 HydrophobicContact CB-CE2 4.29Å; A44-F62 HydrophobicContact CB-CB 4.16Å; A44-F62 HydrophobicContact CB-CD1 3.77Å; A44-F62 HydrophobicContact CB-CG 4.13Å; A44-I96 HydrophobicContact CB-CB 3.98Å; A44-I96 HydrophobicContact CB-CD1 4.09Å; A44-I96 HydrophobicContact CB-CG2 3.7Å
45	Q	89	Confident	94.5	Very high	108 Å²	108	34.5 Å²	34.5	51%	0.505	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-40.9	178.8	-69.7	140.3	-39.7	0	0	111.5	N43 C47 Q48 M49	N43-Q45 PolarHBondContact ND2-OE1 2.76Å; N43-Q45 PolarHBondContact OD1-N 3.02Å; Q45-C47 VanDerWaalsContact C-N 3.35Å; Q45-Q48 WeakPolarHBondContact O-CB 3.43Å; Q45-Q48 PolarHBondContact O-N 2.93Å; Q45-M49 PolarHBondContact O-N 2.9Å
46	H	92.4	Very high	94.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-36.4	172.8	-163	97.9	0	0	0	111.3	P42 N43 Q48 M49 M50 H112 F189	P42-H46 HydrophobicContact CG-CB 4.35Å; N43-H46 VanDerWaalsContact OD1-CB 3.25Å; N43-H46 WeakPolarHBondContact OD1-CB 3.1Å; N43-H46 PolarHBondContact OD1-N 3.33Å; H46-Q48 PolarHBondContact O-N 2.85Å; H46-M49 VanDerWaalsContact CE1-CE 3.41Å; H46-M49 WeakPolarHBondContact CE1-CE 3.41Å; H46-M49 PolarHBondContact O-N 2.91Å; H46-M50 WeakPolarHBondContact O-CG 3.08Å; H46-M50 PolarHBondContact O-N 3.05Å; H46-H112 AromaticContact ND1-CD2 3.79Å; H46-H112 AromaticContact ND1-CG 3.56Å; H46-H112 AromaticContact ND1-ND1 3.76Å; H46-F189 AromaticContact CE1-CD1 3.97Å; H46-F189 AromaticContact CE1-CD2 3.56Å; H46-F189 AromaticContact CE1-CE1 3.66Å; H46-F189 AromaticContact CE1-CE2 3.2Å; H46-F189 WeakPolarHBondContact CE1-CE2 3.28Å; H46-F189 AromaticContact CE1-CG 3.93Å; H46-F189 AromaticContact CE1-CZ 3.27Å; H46-F189 WeakPolarHBondContact CE1-CZ 3.47Å; H46-F189 AromaticContact ND1-CD2 3.87Å; H46-F189 AromaticContact ND1-CE2 3.53Å; H46-F189 AromaticContact ND1-CZ 4Å; H46-F189 AromaticContact NE2-CE1 3.77Å; H46-F189 AromaticContact NE2-CE2 3.71Å; H46-F189 AromaticContact NE2-CZ 3.34Å; H46-F189 VanDerWaalsContact NE2-CZ 3.34Å; H46-F189 WeakPolarHBondContact NE2-CZ 3.1Å
47	C	96	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-40.9	171.3	-170.2	0	0	0	0	112.6	T41 N43 A44 Q45 M50 C51 F60 F62 C77	T41-C47 HydrophobicContact CG2-CB 4.34Å; T41-C47 WeakPolarHBondContact OG1-CB 3.36Å; N43-C47 PolarHBondContact O-N 3.38Å; A44-C47 WeakPolarHBondContact O-CB 3.12Å; A44-C47 PolarHBondContact O-N 3.32Å; Q45-C47 VanDerWaalsContact C-N 3.35Å; C47-M50 PolarHBondContact O-N 3.46Å; C47-C51 PolarHBondContact O-N 2.04Å; C47-F60 HydrophobicContact CB-CD2 3.91Å; C47-F60 HydrophobicContact CB-CE2 4.1Å; C47-F60 WeakPolarHBondContact SG-CD2 3.26Å; C47-F62 HydrophobicContact CB-CB 4.33Å; C47-F62 HydrophobicContact CB-CD2 4.35Å; C47-C77 WeakPolarHBondContact CA-SG 3.47Å; C47-C77 HydrophobicContact CB-CB 3.8Å; C47-C77 WeakPolarHBondContact CB-SG 3.37Å; C47-C77 VanDerWaalsContact SG-CA 3.54Å; C47-C77 WeakPolarHBondContact SG-CB 3.5Å; C47-C77 CovalentContact SG-SG 2.03Å; C47-C77 PolarHBondContact SG-SG 2.84Å
48	Q	94.3	Very high	94.4	Very high	18 Å²	18	29.7 Å²	29.7	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-41.7	173.9	-173.6	169.8	43.8	0	0	112.1	A44 Q45 H46 C51 T52 F60 H99 L101	A44-Q48 PolarHBondContact O-N 2.86Å; Q45-Q48 WeakPolarHBondContact O-CB 3.43Å; Q45-Q48 PolarHBondContact O-N 2.93Å; H46-Q48 PolarHBondContact O-N 2.85Å; Q48-C51 PolarHBondContact O-N 3.29Å; Q48-T52 WeakPolarHBondContact O-CB 3.11Å; Q48-T52 PolarHBondContact O-N 3.07Å; Q48-T52 PolarHBondContact O-OG1 3.01Å; Q48-F60 HydrophobicContact CB-CD1 4.21Å; Q48-F60 HydrophobicContact CB-CE1 3.45Å; Q48-F60 VanDerWaalsContact CB-CE1 3.45Å; Q48-F60 HydrophobicContact CB-CZ 3.66Å; Q48-F60 HydrophobicContact CG-CD1 4.44Å; Q48-F60 HydrophobicContact CG-CE1 3.67Å; Q48-F60 HydrophobicContact CG-CZ 4.27Å; Q48-H99 WeakPolarHBondContact CG-O 3.49Å; Q48-H99 PolarHBondContact NE2-O 2.73Å; Q48-L101 HydrophobicContact CG-CD1 4.38Å; Q48-L101 HydrophobicContact CG-CD2 4.47Å; Q48-L101 HydrophobicContact CG-CG 4.01Å
49	M	91.1	Very high	94.5	Very high	26 Å²	26	25.4 Å²	25.4	13%	0.128	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-48.5	174.7	-176.8	-80.2	-68.6	0	0	110.9	Q45 H46 C51 T52 F53	Q45-M49 PolarHBondContact O-N 2.9Å; H46-M49 VanDerWaalsContact CE1-CE 3.41Å; H46-M49 WeakPolarHBondContact CE1-CE 3.41Å; H46-M49 PolarHBondContact O-N 2.91Å; M49-C51 VanDerWaalsContact C-N 3.32Å; M49-C51 PolarHBondContact O-N 2.93Å; M49-T52 WeakPolarHBondContact O-CA 3.27Å; M49-T52 WeakPolarHBondContact O-CB 3.49Å; M49-T52 PolarHBondContact O-N 2.61Å; M49-F53 HydrophobicContact CG-CD2 4.19Å; M49-F53 HydrophobicContact CG-CE2 4.25Å; M49-F53 WeakPolarHBondContact O-CD2 3.39Å; M49-F53 PolarHBondContact O-N 3.48Å; M49-F53 VanDerWaalsContact O-N 3.08Å; M49-F53 HydrophobicContact SD-CD2 3.89Å; M49-F53 HydrophobicContact SD-CE2 4.34Å
50	M	94.8	Very high	94.5	Very high	38 Å²	38	24 Å²	24	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-42.4	174.8	-65	-56.5	-64.5	0	0	112	M39 T41 H46 C47 T52 H54 T175	M39-M50 HydrophobicContact SD-CB 4.04Å; M39-M50 HydrophobicContact SD-CE 3.94Å; M39-M50 HydrophobicContact SD-CG 4.31Å; T41-M50 HydrophobicContact CG2-CG 4.12Å; H46-M50 WeakPolarHBondContact O-CG 3.08Å; H46-M50 PolarHBondContact O-N 3.05Å; C47-M50 PolarHBondContact O-N 3.46Å; M50-T52 VanDerWaalsContact C-N 3.31Å; M50-T52 PolarHBondContact O-N 2.93Å; M50-H54 VanDerWaalsContact O-CB 3.27Å; M50-H54 WeakPolarHBondContact O-CB 3.15Å; M50-H54 PolarHBondContact O-N 3.03Å; M50-T175 HydrophobicContact CE-CG2 3.52Å; M50-T175 HydrophobicContact CG-CG2 4.2Å; M50-T175 HydrophobicContact SD-CG2 3.8Å
51	C	96	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-36.5	173.1	-171.8	0	0	0	0	112.9	C47 Q48 M49 C57 F60 L79 K102	C47-C51 PolarHBondContact O-N 2.04Å; Q48-C51 PolarHBondContact O-N 3.29Å; M49-C51 VanDerWaalsContact C-N 3.32Å; M49-C51 PolarHBondContact O-N 2.93Å; C51-C57 WeakPolarHBondContact CA-SG 3.08Å; C51-C57 HydrophobicContact CB-CB 3.99Å; C51-C57 WeakPolarHBondContact CB-SG 3.33Å; C51-C57 WeakPolarHBondContact O-CB 3.46Å; C51-C57 WeakPolarHBondContact SG-CB 3.3Å; C51-C57 CovalentContact SG-SG 2.04Å; C51-C57 PolarHBondContact SG-SG 3.2Å; C51-F60 HydrophobicContact CB-CB 4.18Å; C51-F60 HydrophobicContact CB-CD1 4.32Å; C51-L79 HydrophobicContact CB-CD2 3.76Å; C51-K102 PolarHBondContact O-NZ 2.89Å
52	T	93.3	Very high	94.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-47.2	-179.5	-58.7	0	0	0	0	111.2	Q48 M49 M50 L101 K102 I108	Q48-T52 WeakPolarHBondContact O-CB 3.11Å; Q48-T52 PolarHBondContact O-N 3.07Å; Q48-T52 PolarHBondContact O-OG1 3.01Å; M49-T52 WeakPolarHBondContact O-CA 3.27Å; M49-T52 WeakPolarHBondContact O-CB 3.49Å; M49-T52 PolarHBondContact O-N 2.61Å; M50-T52 VanDerWaalsContact C-N 3.31Å; M50-T52 PolarHBondContact O-N 2.93Å; T52-L101 HydrophobicContact CG2-CB 3.87Å; T52-L101 PolarHBondContact OG1-N 2.94Å; T52-K102 PolarHBondContact O-NZ 3.09Å; T52-I108 HydrophobicContact CG2-CG1 4.38Å; T52-I108 HydrophobicContact CG2-CG2 4.06Å
53	F	92.9	Very high	94.6	Very high	47 Å²	47	21 Å²	21	21%	0.206	10%	0.1	C	C	.	.	H	α-helix	trans	-80.9	-20.9	179	-72.9	-86	0	0	0	114.1	M49 I108 A110 Y233 P291	M49-F53 HydrophobicContact CG-CD2 4.19Å; M49-F53 HydrophobicContact CG-CE2 4.25Å; M49-F53 WeakPolarHBondContact O-CD2 3.39Å; M49-F53 PolarHBondContact O-N 3.48Å; M49-F53 VanDerWaalsContact O-N 3.08Å; M49-F53 HydrophobicContact SD-CD2 3.89Å; M49-F53 HydrophobicContact SD-CE2 4.34Å; F53-I108 HydrophobicContact CE1-CG2 4.46Å; F53-I108 HydrophobicContact CE2-CG2 4.36Å; F53-I108 HydrophobicContact CZ-CG2 3.89Å; F53-A110 HydrophobicContact CD2-CB 4.48Å; F53-A110 HydrophobicContact CE1-CB 4.39Å; F53-A110 HydrophobicContact CE2-CB 3.82Å; F53-A110 HydrophobicContact CZ-CB 3.78Å; F53-Y233 HydrophobicContact CD1-CD1 4.15Å; F53-Y233 AromaticContact CE1-CD1 3.89Å; F53-Y233 HydrophobicContact CE1-CD1 3.89Å; F53-Y233 AromaticContact CE1-CE1 3.88Å; F53-Y233 HydrophobicContact CE1-CE1 3.88Å; F53-P291 HydrophobicContact CD1-CB 4.48Å; F53-P291 HydrophobicContact CE1-CB 3.84Å; F53-P291 HydrophobicContact CE1-CG 3.9Å
54	H	95.4	Very high	94.5	Very high	47 Å²	47	20.9 Å²	20.9	22%	0.218	10%	0.101	C	C	.	.	S	Bend	trans	-64.6	128.7	175.2	-173.7	-97.2	0	0	0	111.8	M50 R56 C57 L79 K102	M50-H54 VanDerWaalsContact O-CB 3.27Å; M50-H54 WeakPolarHBondContact O-CB 3.15Å; M50-H54 PolarHBondContact O-N 3.03Å; H54-R56 VanDerWaalsContact C-N 3.27Å; H54-R56 PolarHBondContact O-N 3.37Å; H54-R56 VanDerWaalsContact O-N 3.09Å; H54-C57 HydrophobicContact CB-CB 3.79Å; H54-C57 PolarHBondContact ND1-N 2.78Å; H54-C57 PolarHBondContact O-N 2.97Å; H54-L79 HydrophobicContact CB-CD1 3.67Å; H54-K102 PolarHBondContact O-NZ 2.8Å
55	P	94.4	Very high	94.2	Very high	36 Å²	36	21.6 Å²	21.6	23%	0.234	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.5	-169.6	-28.6	34.9	0	0	0	116.2	Q329 D354 R373	P55-Q329 PolarHBondContact O-NE2 3.39Å; P55-D354 VanDerWaalsContact CB-C 3.5Å; P55-D354 VanDerWaalsContact CG-C 3.46Å; P55-D354 WeakPolarHBondContact CG-O 3.48Å; P55-R373 PolarHBondContact O-NH2 3.4Å
56	R	95.4	Very high	93.8	Very high	68 Å²	68	21.8 Å²	21.8	26%	0.257	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-10.7	-178.7	-73.7	-168.9	62	162.7	-1.5	115.7	H54 L58 D81 L351	H54-R56 VanDerWaalsContact C-N 3.27Å; H54-R56 PolarHBondContact O-N 3.37Å; H54-R56 VanDerWaalsContact O-N 3.09Å; R56-L58 PolarHBondContact O-N 2.89Å; R56-D81 IonicContact CZ-OD2 3.99Å; R56-D81 IonicContact NE-OD2 2.67Å; R56-D81 PolarHBondContact NE-OD2 2.81Å; R56-D81 IonicContact NH2-OD2 2.69Å; R56-D81 PolarHBondContact NH2-OD2 2.86Å; R56-D81 WeakPolarHBondContact O-CB 3.39Å; R56-L351 HydrophobicContact CG-CD1 4.29Å
57	C	96.9	Very high	93	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.			trans	-76	127.6	-172.3	-173.3	0	0	0	0	111.2	C51 H54 L59 L79 K80 K102	C51-C57 WeakPolarHBondContact CA-SG 3.08Å; C51-C57 HydrophobicContact CB-CB 3.99Å; C51-C57 WeakPolarHBondContact CB-SG 3.33Å; C51-C57 WeakPolarHBondContact O-CB 3.46Å; C51-C57 WeakPolarHBondContact SG-CB 3.3Å; C51-C57 CovalentContact SG-SG 2.04Å; C51-C57 PolarHBondContact SG-SG 3.2Å; H54-C57 HydrophobicContact CB-CB 3.79Å; H54-C57 PolarHBondContact ND1-N 2.78Å; H54-C57 PolarHBondContact O-N 2.97Å; C57-L59 PolarHBondContact SG-O 2.92Å; C57-L79 HydrophobicContact CB-CB 4.1Å; C57-L79 HydrophobicContact CB-CD1 4.38Å; C57-L79 VanDerWaalsContact SG-CB 3.56Å; C57-K80 WeakPolarHBondContact CA-O 3.37Å; C57-K80 PolarHBondContact SG-N 3.34Å; C57-K80 VanDerWaalsContact SG-N 3.43Å; C57-K102 WeakPolarHBondContact O-CE 3.49Å; C57-K102 PolarHBondContact O-NZ 2.91Å
58	L	94.7	Very high	92.1	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	13%	0.133	C	C	.	.			trans	-111.4	-33.1	173.1	-56	-178	0	0	0	111.6	R56 K80 H99 S100 K102 I326 R327	R56-L58 PolarHBondContact O-N 2.89Å; L58-K80 PolarHBondContact N-O 2.9Å; L58-H99 CarbonylContact O-C 3.52Å; L58-H99 WeakPolarHBondContact O-CA 3.42Å; L58-S100 PolarHBondContact O-N 2.97Å; L58-K102 HydrophobicContact CD2-CD 4.43Å; L58-I326 HydrophobicContact CD2-CG1 4.1Å; L58-I326 HydrophobicContact CD2-CG2 4.04Å; L58-R327 HydrophobicContact CD1-CG 3.68Å; L58-R327 HydrophobicContact CD2-CG 4.27Å; L58-R327 HydrophobicContact CG-CG 4.45Å
59	L	95.8	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.7	-170.9	-65.5	164.3	0	0	0	108.7	F31 C57 K80 L87 G98 H99	F31-L59 HydrophobicContact CD2-CB 4.2Å; F31-L59 HydrophobicContact CD2-CD2 4.42Å; F31-L59 HydrophobicContact CE2-CB 4.29Å; F31-L59 HydrophobicContact CE2-CD2 3.78Å; F31-L59 HydrophobicContact CZ-CD2 3.84Å; C57-L59 PolarHBondContact SG-O 2.92Å; L59-K80 HydrophobicContact CB-CB 4.08Å; L59-K80 PolarHBondContact N-O 3.41Å; L59-K80 VanDerWaalsContact N-O 3.09Å; L59-K80 WeakPolarHBondContact O-CA 3.11Å; L59-K80 WeakPolarHBondContact O-CB 3.04Å; L59-K80 PolarHBondContact O-N 3.44Å; L59-L87 HydrophobicContact CD1-CB 4.04Å; L59-L87 HydrophobicContact CD1-CD1 3.71Å; L59-L87 HydrophobicContact CD1-CG 3.64Å; L59-G98 CarbonylContact C-O 3.58Å; L59-G98 WeakPolarHBondContact CA-O 3.45Å; L59-H99 VanDerWaalsContact CD2-CE1 3.46Å; L59-H99 WeakPolarHBondContact CD2-CE1 3.48Å; L59-H99 VanDerWaalsContact CD2-ND1 3.27Å; L59-H99 WeakPolarHBondContact CD2-ND1 3.34Å
60	F	97.6	Very high	90.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.7	171.9	74.8	-87.2	0	0	0	112.1	L25 F31 A44 C47 Q48 C51 F62 F78 L79 S97 G98	L25-F60 HydrophobicContact CD2-CE1 4.25Å; L25-F60 HydrophobicContact CD2-CZ 3.66Å; F31-F60 WeakPolarHBondContact CD2-O 3.23Å; A44-F60 HydrophobicContact CB-CE2 4.29Å; C47-F60 HydrophobicContact CB-CD2 3.91Å; C47-F60 HydrophobicContact CB-CE2 4.1Å; C47-F60 WeakPolarHBondContact SG-CD2 3.26Å; Q48-F60 HydrophobicContact CB-CD1 4.21Å; Q48-F60 HydrophobicContact CB-CE1 3.45Å; Q48-F60 VanDerWaalsContact CB-CE1 3.45Å; Q48-F60 HydrophobicContact CB-CZ 3.66Å; Q48-F60 HydrophobicContact CG-CD1 4.44Å; Q48-F60 HydrophobicContact CG-CE1 3.67Å; Q48-F60 HydrophobicContact CG-CZ 4.27Å; C51-F60 HydrophobicContact CB-CB 4.18Å; C51-F60 HydrophobicContact CB-CD1 4.32Å; F60-F62 HydrophobicContact CD2-CB 4.44Å; F60-F62 HydrophobicContact CE2-CB 4.37Å; F60-F78 VanDerWaalsContact CA-O 3.25Å; F60-F78 WeakPolarHBondContact CA-O 3.31Å; F60-L79 HydrophobicContact CB-CD2 4.31Å; F60-S97 CarbonylContact O-C 3.51Å; F60-S97 VanDerWaalsContact O-CA 3.23Å; F60-S97 WeakPolarHBondContact O-CA 3.35Å; F60-S97 VanDerWaalsContact O-CB 3.29Å; F60-S97 WeakPolarHBondContact O-CB 3.48Å; F60-G98 WeakPolarHBondContact CD1-O 3.5Å; F60-G98 VanDerWaalsContact CE1-C 3.49Å; F60-G98 VanDerWaalsContact CE1-CA 3.47Å; F60-G98 PolarHBondContact N-O 2.65Å; F60-G98 PolarHBondContact O-N 2.9Å
61	S	97.6	Very high	89.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.9	165.6	-63.3	0	0	0	0	109.9	F31 F78 S97	F31-S61 PolarHBondContact N-OG 2.89Å; S61-F78 PolarHBondContact N-O 3.45Å; S61-F78 WeakPolarHBondContact O-CD2 3.31Å; S61-F78 PolarHBondContact O-N 2.67Å; S61-S97 WeakPolarHBondContact CB-OG 3.32Å; S61-S97 PolarHBondContact OG-OG 3.34Å
62	F	96.9	Very high	88.5	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.022	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.8	-178.2	174.8	-108.2	0	0	0	110.5	T41 A44 C47 F60 P64 F75 G76 C77 I96	T41-F62 WeakPolarHBondContact O-CE2 3.16Å; A44-F62 HydrophobicContact CB-CB 4.16Å; A44-F62 HydrophobicContact CB-CD1 3.77Å; A44-F62 HydrophobicContact CB-CG 4.13Å; C47-F62 HydrophobicContact CB-CB 4.33Å; C47-F62 HydrophobicContact CB-CD2 4.35Å; F60-F62 HydrophobicContact CD2-CB 4.44Å; F60-F62 HydrophobicContact CE2-CB 4.37Å; F62-P64 HydrophobicContact CE1-CB 3.83Å; F62-P64 HydrophobicContact CE1-CG 4.38Å; F62-P64 HydrophobicContact CZ-CB 4.43Å; F62-F75 HydrophobicContact CZ-CD1 4.22Å; F62-G76 WeakPolarHBondContact CA-O 3.35Å; F62-C77 HydrophobicContact CD2-CB 4.48Å; F62-I96 WeakPolarHBondContact CB-O 3.14Å; F62-I96 PolarHBondContact N-O 3.03Å; F62-I96 PolarHBondContact O-N 2.8Å
63	L	95.1	Very high	88	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	99.4	177.4	-63.3	-177	0	0	0	110.4	F30 I68 K73 F75 G76 F78 A95	F30-L63 HydrophobicContact CD2-CD2 3.89Å; F30-L63 HydrophobicContact CE2-CD1 4.37Å; F30-L63 HydrophobicContact CE2-CD2 4.04Å; F30-L63 HydrophobicContact CE2-CG 4.21Å; L63-I68 HydrophobicContact CD1-CD1 4.39Å; L63-K73 HydrophobicContact CD1-CB 4.37Å; L63-F75 VanDerWaalsContact O-CA 3.24Å; L63-F75 WeakPolarHBondContact O-CA 3.35Å; L63-F75 PolarHBondContact O-N 3.46Å; L63-G76 PolarHBondContact N-O 3.27Å; L63-F78 HydrophobicContact CD1-CE2 3.74Å; L63-F78 HydrophobicContact CD1-CZ 4.32Å; L63-F78 HydrophobicContact CG-CE2 3.98Å; L63-A95 HydrophobicContact CD2-CB 3.73Å
64	P	91.3	Very high	87.8	Confident	24 Å²	24	49.1 Å²	49.1	16%	0.156	26%	0.255	C	S	.	.			trans	-65.3	159.5	173.2	27.2	-33.1	0	0	0	111.2	F62 S66 S67 G94	F62-P64 HydrophobicContact CE1-CB 3.83Å; F62-P64 HydrophobicContact CE1-CG 4.38Å; F62-P64 HydrophobicContact CZ-CB 4.43Å; P64-S66 PolarHBondContact O-N 3.17Å; P64-S66 VanDerWaalsContact O-N 3.09Å; P64-S67 WeakPolarHBondContact CD-OG 3.29Å; P64-S67 WeakPolarHBondContact O-CB 3.17Å; P64-S67 PolarHBondContact O-N 3.19Å; P64-S67 PolarHBondContact O-OG 3.26Å; P64-G94 WeakPolarHBondContact CD-O 3.27Å; P64-G94 WeakPolarHBondContact CG-O 3.46Å
65	A	87.1	Confident	87.8	Confident	21 Å²	21	47.6 Å²	47.6	17%	0.174	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31	-176.4	0	0	0	0	0	114.8	R74 F75 V181	A65-R74 PolarHBondContact O-NE 3.48Å; A65-F75 HydrophobicContact CB-CD2 4.47Å; A65-F75 HydrophobicContact CB-CE1 4.45Å; A65-F75 HydrophobicContact CB-CE2 3.75Å; A65-F75 HydrophobicContact CB-CZ 3.73Å; A65-V181 HydrophobicContact CB-CG2 3.94Å
66	S	80.3	Confident	87.9	Confident	112 Å²	112	46 Å²	46	78%	0.783	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-74.8	-19	177.4	50	0	0	0	0	114.4	P64	P64-S66 PolarHBondContact O-N 3.17Å; P64-S66 VanDerWaalsContact O-N 3.09Å
67	S	76.3	Confident	88	Confident	23 Å²	23	42.8 Å²	42.8	16%	0.161	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-81.8	-11	-174.9	68.7	0	0	0	0	114.4	P64 A93	P64-S67 WeakPolarHBondContact CD-OG 3.29Å; P64-S67 WeakPolarHBondContact O-CB 3.17Å; P64-S67 PolarHBondContact O-N 3.19Å; P64-S67 PolarHBondContact O-OG 3.26Å; S67-A93 WeakPolarHBondContact CB-O 3.42Å
68	I	76.6	Confident	88	Confident	23 Å²	23	44.8 Å²	44.8	12%	0.118	24%	0.235	C	C	.	.			trans	-153.3	137.4	-173.3	-154.4	171.8	0	0	0	114.7	L63 D70 K73 R74	L63-I68 HydrophobicContact CD1-CD1 4.39Å; I68-D70 HydrophobicContact CD1-CB 3.99Å; I68-D70 HydrophobicContact CG1-CB 4Å; I68-D70 WeakPolarHBondContact CG2-O 3.21Å; I68-K73 HydrophobicContact CD1-CB 3.78Å; I68-K73 HydrophobicContact CD1-CD 3.96Å; I68-K73 HydrophobicContact CD1-CG 4.47Å; I68-K73 HydrophobicContact CG2-CB 4.23Å; I68-R74 HydrophobicContact CG2-CG 3.76Å; I68-R74 PolarHBondContact O-NE 3.09Å; I68-R74 PolarHBondContact O-NH2 2.8Å
69	N	70.8	Confident	88.1	Confident	149 Å²	149	44.4 Å²	44.4	80%	0.797	23%	0.233	S	C	*	.	S	Bend	trans	-76.2	-31.4	175.9	-69.5	-11.2	0	0	0	112.4	M71	N69-M71 PolarHBondContact O-N 3.28Å; N69-M71 VanDerWaalsContact O-N 3.15Å
70	D	78.2	Confident	88.2	Confident	57 Å²	57	44.4 Å²	44.4	31%	0.305	23%	0.233	S	C	.	.			trans	-63.9	108.8	173.6	179.7	-13.8	0	0	0	110.5	I68 E72 K73	I68-D70 HydrophobicContact CD1-CB 3.99Å; I68-D70 HydrophobicContact CG1-CB 4Å; I68-D70 WeakPolarHBondContact CG2-O 3.21Å; D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.23Å; D70-E72 PolarHBondContact OD1-N 2.95Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 PolarHBondContact O-N 2.89Å; D70-K73 VanDerWaalsContact OD2-CD 3.3Å; D70-K73 WeakPolarHBondContact OD2-CD 3.1Å; D70-K73 WeakPolarHBondContact OD2-CE 3.44Å; D70-K73 WeakPolarHBondContact OD2-CG 3.36Å; D70-K73 IonicContact OD2-NZ 3.7Å; D70-K73 PolarHBondContact OD2-NZ 2.74Å
71	M	75.6	Confident	88.1	Confident	143 Å²	143	45 Å²	45	70%	0.704	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.8	-174.4	-65.8	-138.5	-66.2	0	0	113.9	N69 K73 R74	N69-M71 PolarHBondContact O-N 3.28Å; N69-M71 VanDerWaalsContact O-N 3.15Å; M71-K73 VanDerWaalsContact C-N 3.3Å; M71-R74 PolarHBondContact SD-NH1 3.24Å
72	E	76.8	Confident	87.9	Confident	151 Å²	151	45.8 Å²	45.8	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.7	179.2	-58.9	-168.8	157.2	0	0	112.2	Y40 D70	Y40-E72 WeakPolarHBondContact CE1-O 3.39Å; Y40-E72 PolarHBondContact OH-O 3.37Å; D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.23Å; D70-E72 PolarHBondContact OD1-N 2.95Å
73	K	81.9	Confident	87.5	Confident	97 Å²	97	51.3 Å²	51.3	42%	0.422	28%	0.275	S	S	.	.	S	Bend	trans	-99.5	-3.9	-179.1	-67.6	-174.1	-178.1	94.1	0	113.6	L63 I68 D70 M71 G76	L63-K73 HydrophobicContact CD1-CB 4.37Å; I68-K73 HydrophobicContact CD1-CB 3.78Å; I68-K73 HydrophobicContact CD1-CD 3.96Å; I68-K73 HydrophobicContact CD1-CG 4.47Å; I68-K73 HydrophobicContact CG2-CB 4.23Å; D70-K73 HydrophobicContact CB-CB 4.46Å; D70-K73 PolarHBondContact O-N 2.89Å; D70-K73 VanDerWaalsContact OD2-CD 3.3Å; D70-K73 WeakPolarHBondContact OD2-CD 3.1Å; D70-K73 WeakPolarHBondContact OD2-CE 3.44Å; D70-K73 WeakPolarHBondContact OD2-CG 3.36Å; D70-K73 IonicContact OD2-NZ 3.7Å; D70-K73 PolarHBondContact OD2-NZ 2.74Å; M71-K73 VanDerWaalsContact C-N 3.3Å; K73-G76 PolarHBondContact O-N 2.92Å
74	R	90	Very high	87	Confident	66 Å²	66	55.5 Å²	55.5	25%	0.249	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	139.7	174.8	-68.3	-177.7	173.6	168.2	-2.9	110.5	Y40 A65 I68 M71 G76	Y40-R74 WeakPolarHBondContact CD1-O 3.43Å; A65-R74 PolarHBondContact O-NE 3.48Å; I68-R74 HydrophobicContact CG2-CG 3.76Å; I68-R74 PolarHBondContact O-NE 3.09Å; I68-R74 PolarHBondContact O-NH2 2.8Å; M71-R74 PolarHBondContact SD-NH1 3.24Å; R74-G76 PolarHBondContact O-N 3.21Å
75	F	94.9	Very high	86.6	Confident	14 Å²	14	55.3 Å²	55.3	6%	0.061	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	13.6	-173.2	-57.3	-79.5	0	0	0	114.3	Y40 T41 F62 L63 A65 C77 I119 I179 V181	Y40-F75 WeakPolarHBondContact CA-O 3.42Å; Y40-F75 HydrophobicContact CD1-CB 4.38Å; T41-F75 PolarHBondContact N-O 3.43Å; T41-F75 WeakPolarHBondContact O-CB 3.35Å; F62-F75 HydrophobicContact CZ-CD1 4.22Å; L63-F75 VanDerWaalsContact O-CA 3.24Å; L63-F75 WeakPolarHBondContact O-CA 3.35Å; L63-F75 PolarHBondContact O-N 3.46Å; A65-F75 HydrophobicContact CB-CD2 4.47Å; A65-F75 HydrophobicContact CB-CE1 4.45Å; A65-F75 HydrophobicContact CB-CE2 3.75Å; A65-F75 HydrophobicContact CB-CZ 3.73Å; F75-C77 PolarHBondContact O-N 2.04Å; F75-I119 HydrophobicContact CE1-CG2 4.28Å; F75-I119 HydrophobicContact CZ-CG2 3.72Å; F75-I179 HydrophobicContact CB-CB 3.93Å; F75-I179 HydrophobicContact CB-CD1 4.13Å; F75-I179 HydrophobicContact CB-CG1 4.44Å; F75-I179 HydrophobicContact CB-CG2 4.41Å; F75-I179 HydrophobicContact CD1-CG2 4.1Å; F75-I179 HydrophobicContact CD2-CB 3.68Å; F75-I179 HydrophobicContact CD2-CG2 3.56Å; F75-I179 WeakPolarHBondContact CD2-O 3.43Å; F75-I179 HydrophobicContact CE1-CG2 4.23Å; F75-I179 HydrophobicContact CE2-CB 4.3Å; F75-I179 HydrophobicContact CE2-CG2 3.7Å; F75-I179 HydrophobicContact CG-CB 3.81Å; F75-I179 HydrophobicContact CG-CD1 4.41Å; F75-I179 HydrophobicContact CG-CG2 3.77Å; F75-I179 HydrophobicContact CZ-CG2 4.04Å; F75-V181 HydrophobicContact CE2-CG2 4.01Å; F75-V181 HydrophobicContact CZ-CG2 4.12Å
76	G	95.8	Very high	86.5	Confident	4 Å²	4	57.9 Å²	57.9	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.6	179.2	0	0	0	0	0	111.4	F62 L63 K73 R74	F62-G76 WeakPolarHBondContact CA-O 3.35Å; L63-G76 PolarHBondContact N-O 3.27Å; K73-G76 PolarHBondContact O-N 2.92Å; R74-G76 PolarHBondContact O-N 3.21Å
77	C	97.3	Very high	87.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.2	173.1	172.4	0	0	0	0	108.9	S38 M39 T41 C47 F62 F75	S38-C77 WeakPolarHBondContact CA-O 3.35Å; M39-C77 HydrophobicContact CG-CB 4.11Å; M39-C77 PolarHBondContact N-O 3.26Å; M39-C77 WeakPolarHBondContact O-CA 3.41Å; M39-C77 WeakPolarHBondContact O-CB 3.28Å; M39-C77 PolarHBondContact O-N 3.33Å; T41-C77 HydrophobicContact CG2-CB 3.65Å; T41-C77 WeakPolarHBondContact OG1-CB 3.45Å; C47-C77 WeakPolarHBondContact CA-SG 3.47Å; C47-C77 HydrophobicContact CB-CB 3.8Å; C47-C77 WeakPolarHBondContact CB-SG 3.37Å; C47-C77 VanDerWaalsContact SG-CA 3.54Å; C47-C77 WeakPolarHBondContact SG-CB 3.5Å; C47-C77 CovalentContact SG-SG 2.03Å; C47-C77 PolarHBondContact SG-SG 2.84Å; F62-C77 HydrophobicContact CD2-CB 4.48Å; F75-C77 PolarHBondContact O-N 2.04Å
78	F	97.2	Very high	88	Confident	42 Å²	42	56.9 Å²	56.9	18%	0.184	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.6	-176.1	-57.8	-86.9	0	0	0	108.8	F30 F60 S61 L63	F30-F78 AromaticContact CE2-CD2 3.92Å; F30-F78 HydrophobicContact CE2-CD2 3.92Å; F30-F78 HydrophobicContact CE2-CE2 4.26Å; F30-F78 HydrophobicContact CZ-CD2 4.14Å; F30-F78 HydrophobicContact CZ-CG 4.36Å; F60-F78 VanDerWaalsContact CA-O 3.25Å; F60-F78 WeakPolarHBondContact CA-O 3.31Å; S61-F78 PolarHBondContact N-O 3.45Å; S61-F78 WeakPolarHBondContact O-CD2 3.31Å; S61-F78 PolarHBondContact O-N 2.67Å; L63-F78 HydrophobicContact CD1-CE2 3.74Å; L63-F78 HydrophobicContact CD1-CZ 4.32Å; L63-F78 HydrophobicContact CG-CE2 3.98Å
79	L	97.8	Very high	88.8	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.7	178.7	-58.6	-163.1	0	0	0	109.7	V36 A37 M39 C51 H54 C57 F60	V36-L79 HydrophobicContact CG2-CB 4.09Å; V36-L79 WeakPolarHBondContact CG2-O 3.48Å; V36-L79 PolarHBondContact N-O 3.36Å; A37-L79 HydrophobicContact CB-CB 4.25Å; A37-L79 HydrophobicContact CB-CD1 4.36Å; A37-L79 PolarHBondContact N-O 2.94Å; A37-L79 WeakPolarHBondContact O-CB 3.5Å; A37-L79 PolarHBondContact O-N 2.02Å; M39-L79 HydrophobicContact CE-CD1 3.54Å; M39-L79 HydrophobicContact CE-CG 3.67Å; M39-L79 HydrophobicContact SD-CD1 3.85Å; M39-L79 HydrophobicContact SD-CG 4.12Å; C51-L79 HydrophobicContact CB-CD2 3.76Å; H54-L79 HydrophobicContact CB-CD1 3.67Å; C57-L79 HydrophobicContact CB-CB 4.1Å; C57-L79 HydrophobicContact CB-CD1 4.38Å; C57-L79 VanDerWaalsContact SG-CB 3.56Å; F60-L79 HydrophobicContact CB-CD2 4.31Å
80	K	97.6	Very high	89.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147	-169.3	-58.1	164.7	-179.7	-66.1	0	113.2	F31 G33 G34 D35 C57 L58 L59 L87	F31-K80 HydrophobicContact CB-CD 3.69Å; F31-K80 WeakPolarHBondContact O-CE 3.46Å; F31-K80 PolarHBondContact O-NZ 3.12Å; G33-K80 PolarHBondContact O-NZ 3.1Å; G34-K80 CarbonylContact O-C 3.53Å; G34-K80 WeakPolarHBondContact O-CA 3.42Å; G34-K80 WeakPolarHBondContact O-CB 3.47Å; D35-K80 VanDerWaalsContact CG-NZ 3.34Å; D35-K80 IonicContact OD1-NZ 3.24Å; D35-K80 PolarHBondContact OD1-NZ 3.08Å; D35-K80 IonicContact OD2-NZ 2.74Å; D35-K80 PolarHBondContact OD2-NZ 3.07Å; C57-K80 WeakPolarHBondContact CA-O 3.37Å; C57-K80 PolarHBondContact SG-N 3.34Å; C57-K80 VanDerWaalsContact SG-N 3.43Å; L58-K80 PolarHBondContact N-O 2.9Å; L59-K80 HydrophobicContact CB-CB 4.08Å; L59-K80 PolarHBondContact N-O 3.41Å; L59-K80 VanDerWaalsContact N-O 3.09Å; L59-K80 WeakPolarHBondContact O-CA 3.11Å; L59-K80 WeakPolarHBondContact O-CB 3.04Å; L59-K80 PolarHBondContact O-N 3.44Å; K80-L87 HydrophobicContact CB-CD1 3.8Å; K80-L87 HydrophobicContact CD-CD1 3.89Å; K80-L87 HydrophobicContact CG-CD1 4.3Å
81	D	95.8	Very high	90.7	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.064	32%	0.321	C	S	.	.			trans	-117.9	156.4	170.4	-176.8	18.5	0	0	0	109.6	G34 V36 R56 R327	G34-D81 WeakPolarHBondContact CA-O 3.4Å; G34-D81 PolarHBondContact O-N 3.22Å; V36-D81 HydrophobicContact CG1-CB 3.67Å; R56-D81 IonicContact CZ-OD2 3.99Å; R56-D81 IonicContact NE-OD2 2.67Å; R56-D81 PolarHBondContact NE-OD2 2.81Å; R56-D81 IonicContact NH2-OD2 2.69Å; R56-D81 PolarHBondContact NH2-OD2 2.86Å; R56-D81 WeakPolarHBondContact O-CB 3.39Å; D81-R327 IonicContact OD1-CZ 3.88Å; D81-R327 IonicContact OD1-NE 2.78Å; D81-R327 PolarHBondContact OD1-NE 2.83Å; D81-R327 IonicContact OD1-NH2 3.54Å; D81-R327 PolarHBondContact OD1-NH2 2.84Å; D81-R327 IonicContact OD2-CZ 3.76Å; D81-R327 IonicContact OD2-NE 3.32Å; D81-R327 IonicContact OD2-NH2 3.23Å; D81-R327 PolarHBondContact OD2-NH2 3.27Å
82	S	92.8	Very high	91.4	Very high	17 Å²	17	58.4 Å²	58.4	12%	0.119	30%	0.302	C	S	.	.			trans	-153.3	136.2	171	177.2	0	0	0	0	110.2	T84 G85 T86 R327	S82-T84 PolarHBondContact O-N 2.76Å; S82-T84 PolarHBondContact OG-N 2.93Å; S82-T84 PolarHBondContact OG-OG1 3.13Å; S82-T84 VanDerWaalsContact OG-OG1 3.1Å; S82-G85 PolarHBondContact O-N 3.02Å; S82-T86 VanDerWaalsContact CB-O 3.23Å; S82-T86 WeakPolarHBondContact CB-O 3.46Å; S82-T86 PolarHBondContact OG-O 3.09Å; S82-R327 WeakPolarHBondContact O-CD 3.45Å; S82-R327 PolarHBondContact O-NE 2.84Å
83	V	89.3	Confident	92	Very high	120 Å²	120	54.3 Å²	54.3	73%	0.727	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.9	176.6	-177.3	0	0	0	0	111.4	G85	V83-G85 VanDerWaalsContact C-N 3.35Å
84	T	84.5	Confident	92.3	Very high	90 Å²	90	50.7 Å²	50.7	55%	0.552	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.5	178.4	62.6	0	0	0	0	113.7	S82 T86	S82-T84 PolarHBondContact O-N 2.76Å; S82-T84 PolarHBondContact OG-N 2.93Å; S82-T84 PolarHBondContact OG-OG1 3.13Å; S82-T84 VanDerWaalsContact OG-OG1 3.1Å; T84-T86 PolarHBondContact O-N 2.82Å; T84-T86 PolarHBondContact OG1-N 2.61Å; T84-T86 PolarHBondContact OG1-O 2.91Å; T84-T86 VanDerWaalsContact OG1-O 3.12Å; T84-T86 PolarHBondContact OG1-OG1 3.27Å
85	G	82.2	Confident	92.5	Very high	20 Å²	20	47.5 Å²	47.5	21%	0.206	27%	0.273	C	S	.	.	S	Bend	trans	68.8	4.6	-170.1	0	0	0	0	0	114.7	S82 V83	S82-G85 PolarHBondContact O-N 3.02Å; V83-G85 VanDerWaalsContact C-N 3.35Å
86	T	85.9	Confident	92.5	Very high	74 Å²	74	48.2 Å²	48.2	45%	0.454	28%	0.277	S	S	.	.			trans	-135.7	153.3	-176.9	54.7	0	0	0	0	111.5	S82 T84	S82-T86 VanDerWaalsContact CB-O 3.23Å; S82-T86 WeakPolarHBondContact CB-O 3.46Å; S82-T86 PolarHBondContact OG-O 3.09Å; T84-T86 PolarHBondContact O-N 2.82Å; T84-T86 PolarHBondContact OG1-N 2.61Å; T84-T86 PolarHBondContact OG1-O 2.91Å; T84-T86 VanDerWaalsContact OG1-O 3.12Å; T84-T86 PolarHBondContact OG1-OG1 3.27Å
87	L	92.3	Very high	92.5	Very high	30 Å²	30	48 Å²	48	16%	0.157	28%	0.275	C	S	.	.			trans	-134.8	155.4	176.3	-73.7	172.4	0	0	0	110.7	F31 L59 K80 K89	F31-L87 HydrophobicContact CB-CB 4.01Å; F31-L87 HydrophobicContact CB-CD1 4.15Å; F31-L87 HydrophobicContact CD1-CB 3.84Å; F31-L87 WeakPolarHBondContact CD1-O 3.29Å; F31-L87 HydrophobicContact CG-CB 4.19Å; L59-L87 HydrophobicContact CD1-CB 4.04Å; L59-L87 HydrophobicContact CD1-CD1 3.71Å; L59-L87 HydrophobicContact CD1-CG 3.64Å; K80-L87 HydrophobicContact CB-CD1 3.8Å; K80-L87 HydrophobicContact CD-CD1 3.89Å; K80-L87 HydrophobicContact CG-CD1 4.3Å; L87-K89 PolarHBondContact O-N 2.88Å
88	P	94.3	Very high	92.3	Very high	84 Å²	84	48 Å²	48	55%	0.545	28%	0.275	S	S	.	.			trans	-57.4	121.7	174.8	-23.4	34	0	0	0	111.3	R32	R32-P88 PolarHBondContact N-O 2.63Å
89	K	93.4	Very high	91.9	Very high	112 Å²	112	47 Å²	47	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.1	173.3	-66.5	-179.1	-178.3	-173.2	0	108.6	Y26 T29 F31 L87	Y26-K89 VanDerWaalsContact CE1-NZ 3.32Å; Y26-K89 VanDerWaalsContact CZ-NZ 3.34Å; T29-K89 HydrophobicContact CG2-CB 3.94Å; T29-K89 HydrophobicContact CG2-CD 4.17Å; T29-K89 HydrophobicContact CG2-CG 3.95Å; F31-K89 HydrophobicContact CD1-CG 3.89Å; F31-K89 HydrophobicContact CE1-CD 4.2Å; F31-K89 HydrophobicContact CE1-CG 3.51Å; F31-K89 HydrophobicContact CZ-CG 4.48Å; L87-K89 PolarHBondContact O-N 2.88Å
90	V	94.6	Very high	91.6	Very high	59 Å²	59	47.2 Å²	47.2	36%	0.358	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140	167.9	-60.7	0	0	0	0	109.6	F30 R32 R92	F30-V90 HydrophobicContact CB-CG2 4.04Å; F30-V90 HydrophobicContact CD1-CG2 4.47Å; F30-V90 PolarHBondContact N-O 3.18Å; F30-V90 WeakPolarHBondContact O-CG2 3.47Å; F30-V90 PolarHBondContact O-N 2.89Å; R32-V90 HydrophobicContact CB-CG1 4.34Å; V90-R92 PolarHBondContact O-N 3Å
91	H	94.1	Very high	91.1	Very high	153 Å²	153	48.3 Å²	48.3	71%	0.708	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.9	173.9	-179.3	73.9	0	0	0	109.7	N28	N28-H91 WeakPolarHBondContact O-CA 3.29Å; N28-H91 PolarHBondContact O-ND1 3.33Å
92	R	91.2	Very high	90.7	Very high	80 Å²	80	47.9 Å²	47.9	30%	0.302	28%	0.275	S	S	.	.			trans	-152.7	109.5	177.5	-175.2	175.9	-170.3	155.7	10.6	109.2	N28 F30 V90 G94 A95	N28-R92 CarbonylContact C-O 3.55Å; N28-R92 WeakPolarHBondContact CA-O 3.22Å; N28-R92 PolarHBondContact O-N 3.18Å; F30-R92 HydrophobicContact CB-CB 4Å; V90-R92 PolarHBondContact O-N 3Å; R92-G94 PolarHBondContact O-N 2.85Å; R92-A95 HydrophobicContact CB-CB 3.87Å; R92-A95 HydrophobicContact CG-CB 3.9Å; R92-A95 WeakPolarHBondContact O-CB 3.42Å; R92-A95 PolarHBondContact O-N 3.25Å
93	A	90.3	Very high	90	Very high	65 Å²	65	49 Å²	49	54%	0.537	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	129.9	-178.1	0	0	0	0	0	112.2	N28 S67 A95	N28-A93 WeakPolarHBondContact OD1-CA 3.39Å; S67-A93 WeakPolarHBondContact CB-O 3.42Å; A93-A95 PolarHBondContact O-N 2.88Å; A93-A95 VanDerWaalsContact O-N 3.16Å
94	G	87.7	Confident	89	Confident	21 Å²	21	43.8 Å²	43.8	22%	0.216	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-6.3	-179.1	0	0	0	0	0	116.4	N28 P64 R92	N28-G94 PolarHBondContact OD1-N 2.99Å; P64-G94 WeakPolarHBondContact CD-O 3.27Å; P64-G94 WeakPolarHBondContact CG-O 3.46Å; R92-G94 PolarHBondContact O-N 2.85Å
95	A	93.8	Very high	88.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.			trans	-75.2	136	175.7	0	0	0	0	0	111.1	E27 N28 T29 F30 L63 R92 A93	E27-A95 CarbonylContact C-O 3.6Å; N28-A95 CarbonylContact C-O 3.54Å; N28-A95 VanDerWaalsContact CA-O 3.26Å; N28-A95 WeakPolarHBondContact CA-O 3.26Å; N28-A95 PolarHBondContact N-O 2.93Å; T29-A95 PolarHBondContact N-O 2.63Å; T29-A95 CarbonylContact O-C 3.53Å; F30-A95 HydrophobicContact CB-CB 4.28Å; F30-A95 HydrophobicContact CD2-CB 4.38Å; L63-A95 HydrophobicContact CD2-CB 3.73Å; R92-A95 HydrophobicContact CB-CB 3.87Å; R92-A95 HydrophobicContact CG-CB 3.9Å; R92-A95 WeakPolarHBondContact O-CB 3.42Å; R92-A95 PolarHBondContact O-N 3.25Å; A93-A95 PolarHBondContact O-N 2.88Å; A93-A95 VanDerWaalsContact O-N 3.16Å
96	I	94.7	Very high	87.4	Confident	28 Å²	28	43.2 Å²	43.2	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.5	179.4	-51.7	179.4	0	0	0	108	L25 A44 F62	L25-I96 HydrophobicContact CB-CG2 4.2Å; L25-I96 HydrophobicContact CD1-CG2 4.27Å; A44-I96 HydrophobicContact CB-CB 3.98Å; A44-I96 HydrophobicContact CB-CD1 4.09Å; A44-I96 HydrophobicContact CB-CG2 3.7Å; F62-I96 WeakPolarHBondContact CB-O 3.14Å; F62-I96 PolarHBondContact N-O 3.03Å; F62-I96 PolarHBondContact O-N 2.8Å
97	S	96	Very high	86.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	160.2	176.2	-66.4	0	0	0	0	111.9	L25 Y26 T29 F30 F60 S61	L25-S97 CarbonylContact C-O 3.56Å; L25-S97 WeakPolarHBondContact CA-O 3.29Å; Y26-S97 PolarHBondContact N-O 3.26Å; Y26-S97 PolarHBondContact O-N 3.16Å; T29-S97 WeakPolarHBondContact O-CB 3.4Å; T29-S97 PolarHBondContact O-OG 3.03Å; F30-S97 WeakPolarHBondContact CA-OG 3.41Å; F60-S97 CarbonylContact O-C 3.51Å; F60-S97 VanDerWaalsContact O-CA 3.23Å; F60-S97 WeakPolarHBondContact O-CA 3.35Å; F60-S97 VanDerWaalsContact O-CB 3.29Å; F60-S97 WeakPolarHBondContact O-CB 3.48Å; S61-S97 WeakPolarHBondContact CB-OG 3.32Å; S61-S97 PolarHBondContact OG-OG 3.34Å
98	G	92.6	Very high	85.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	-174.5	178.8	0	0	0	0	0	113.3	L59 F60	L59-G98 CarbonylContact C-O 3.58Å; L59-G98 WeakPolarHBondContact CA-O 3.45Å; F60-G98 WeakPolarHBondContact CD1-O 3.5Å; F60-G98 VanDerWaalsContact CE1-C 3.49Å; F60-G98 VanDerWaalsContact CE1-CA 3.47Å; F60-G98 PolarHBondContact N-O 2.65Å; F60-G98 PolarHBondContact O-N 2.9Å
99	H	89.1	Confident	84.8	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	157	176	-63.4	-96.4	0	0	0	111.1	L22 Y26 Q48 L58 L59	L22-H99 HydrophobicContact CB-CB 3.81Å; Y26-H99 AromaticContact CE2-CD2 3.81Å; Y26-H99 AromaticContact CE2-NE2 3.64Å; Y26-H99 AromaticContact CZ-NE2 3.86Å; Y26-H99 PolarHBondContact OH-NE2 3.21Å; Y26-H99 VanDerWaalsContact OH-NE2 3.16Å; Q48-H99 WeakPolarHBondContact CG-O 3.49Å; Q48-H99 PolarHBondContact NE2-O 2.73Å; L58-H99 CarbonylContact O-C 3.52Å; L58-H99 WeakPolarHBondContact O-CA 3.42Å; L59-H99 VanDerWaalsContact CD2-CE1 3.46Å; L59-H99 WeakPolarHBondContact CD2-CE1 3.48Å; L59-H99 VanDerWaalsContact CD2-ND1 3.27Å; L59-H99 WeakPolarHBondContact CD2-ND1 3.34Å
100	S	92.1	Very high	84.1	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.028	21%	0.205	C	C	.	.			trans	-65.8	149.1	167	80.7	0	0	0	0	110.7	L58 K102	L58-S100 PolarHBondContact O-N 2.97Å; S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 WeakPolarHBondContact OG-CG 3.34Å
101	L	86.5	Confident	83.5	Confident	23 Å²	23	35.4 Å²	35.4	12%	0.12	20%	0.198	C	C	.	.			trans	-82.9	20.7	175.2	-56.8	176	0	0	0	113	T23 Q48 T52 Q103 C104 I108	T23-L101 HydrophobicContact CG2-CD2 4.12Å; Q48-L101 HydrophobicContact CG-CD1 4.38Å; Q48-L101 HydrophobicContact CG-CD2 4.47Å; Q48-L101 HydrophobicContact CG-CG 4.01Å; T52-L101 HydrophobicContact CG2-CB 3.87Å; T52-L101 PolarHBondContact OG1-N 2.94Å; L101-Q103 PolarHBondContact O-N 2.89Å; L101-C104 VanDerWaalsContact CA-SG 3.56Å; L101-C104 HydrophobicContact CB-CB 4.02Å; L101-C104 WeakPolarHBondContact O-CB 3.32Å; L101-C104 PolarHBondContact O-N 2.8Å; L101-C104 PolarHBondContact O-SG 2.73Å; L101-I108 HydrophobicContact CB-CG1 4.5Å; L101-I108 VanDerWaalsContact O-CD1 3.31Å; L101-I108 WeakPolarHBondContact O-CD1 3.19Å; L101-I108 WeakPolarHBondContact O-CG1 3.26Å
102	K	87.4	Confident	82.7	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.013	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.5	170.5	-70.1	171.8	173	64.8	0	108.3	C51 T52 H54 C57 L58 S100 C104 I326 L374	C51-K102 PolarHBondContact O-NZ 2.89Å; T52-K102 PolarHBondContact O-NZ 3.09Å; H54-K102 PolarHBondContact O-NZ 2.8Å; C57-K102 WeakPolarHBondContact O-CE 3.49Å; C57-K102 PolarHBondContact O-NZ 2.91Å; L58-K102 HydrophobicContact CD2-CD 4.43Å; S100-K102 PolarHBondContact O-N 2.9Å; S100-K102 WeakPolarHBondContact OG-CG 3.34Å; K102-C104 VanDerWaalsContact C-N 3.29Å; K102-C104 PolarHBondContact O-N 3.07Å; K102-I326 HydrophobicContact CB-CD1 3.94Å; K102-I326 HydrophobicContact CB-CG1 3.94Å; K102-I326 HydrophobicContact CD-CG1 4.4Å; K102-L374 HydrophobicContact CG-CD2 3.92Å
103	Q	77.8	Confident	82.2	Confident	42 Å²	42	33 Å²	33	20%	0.196	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	7.5	-171.7	-49.9	173.2	-31.1	0	0	116	L101 G105 T323 K324 I326 R373	L101-Q103 PolarHBondContact O-N 2.89Å; Q103-G105 PolarHBondContact O-N 2.78Å; Q103-T323 PolarHBondContact NE2-O 2.86Å; Q103-K324 PolarHBondContact NE2-O 2.74Å; Q103-I326 HydrophobicContact CG-CD1 4.42Å; Q103-I326 HydrophobicContact CG-CG1 4.41Å; Q103-R373 HydrophobicContact CG-CB 3.92Å; Q103-R373 PolarHBondContact N-O 3.4Å
104	C	69.3	Low	81.8	Confident	10 Å²	10	33.1 Å²	33.1	7%	0.068	18%	0.175	C	C	.	.			trans	-86.7	8.5	178.5	-65.1	0	0	0	0	116	C21 L101 K102 H106 Q107 I108	C21-C104 WeakPolarHBondContact CA-SG 3.4Å; C21-C104 HydrophobicContact CB-CB 3.85Å; C21-C104 WeakPolarHBondContact CB-SG 3.42Å; C21-C104 WeakPolarHBondContact SG-CB 3.47Å; C21-C104 CovalentContact SG-SG 2.03Å; C21-C104 PolarHBondContact SG-SG 2.92Å; L101-C104 VanDerWaalsContact CA-SG 3.56Å; L101-C104 HydrophobicContact CB-CB 4.02Å; L101-C104 WeakPolarHBondContact O-CB 3.32Å; L101-C104 PolarHBondContact O-N 2.8Å; L101-C104 PolarHBondContact O-SG 2.73Å; K102-C104 VanDerWaalsContact C-N 3.29Å; K102-C104 PolarHBondContact O-N 3.07Å; C104-H106 PolarHBondContact O-N 3.16Å; C104-Q107 HydrophobicContact CB-CB 3.98Å; C104-Q107 PolarHBondContact O-N 2.98Å; C104-I108 HydrophobicContact CB-CG1 4.42Å
105	G	68.9	Low	82	Confident	13 Å²	13	34.5 Å²	34.5	13%	0.134	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	52.9	-123.3	178.7	0	0	0	0	0	111.8	Q103 Q107 I108 N376	Q103-G105 PolarHBondContact O-N 2.78Å; G105-Q107 PolarHBondContact O-N 3.11Å; G105-I108 WeakPolarHBondContact O-CB 3.49Å; G105-I108 WeakPolarHBondContact O-CG1 3.26Å; G105-I108 PolarHBondContact O-N 2.93Å; G105-N376 PolarHBondContact O-OD1 2.84Å
106	H	64.4	Low	82	Confident	84 Å²	84	35.7 Å²	35.7	39%	0.389	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-53.8	-17.8	-175.5	66.6	-101.1	0	0	0	116.7	C104 I108 N376 G378	C104-H106 PolarHBondContact O-N 3.16Å; H106-I108 VanDerWaalsContact C-N 3.25Å; H106-N376 WeakPolarHBondContact CA-OD1 3.27Å; H106-N376 PolarHBondContact O-OD1 3.49Å; H106-G378 WeakPolarHBondContact CB-O 3.29Å
107	Q	64.1	Low	82.1	Confident	79 Å²	79	41.6 Å²	41.6	37%	0.369	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-81.1	-8.2	179.8	-54.3	-178.2	-0.9	0	0	112.2	C104 G105 S109	C104-Q107 HydrophobicContact CB-CB 3.98Å; C104-Q107 PolarHBondContact O-N 2.98Å; G105-Q107 PolarHBondContact O-N 3.11Å; Q107-S109 PolarHBondContact O-N 3.49Å
108	I	74.2	Confident	82	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.216	C	C	.	.			trans	-81.4	86.9	179.6	-58.1	175.1	0	0	0	109.2	T52 F53 L101 C104 G105 H106 N376	T52-I108 HydrophobicContact CG2-CG1 4.38Å; T52-I108 HydrophobicContact CG2-CG2 4.06Å; F53-I108 HydrophobicContact CE1-CG2 4.46Å; F53-I108 HydrophobicContact CE2-CG2 4.36Å; F53-I108 HydrophobicContact CZ-CG2 3.89Å; L101-I108 HydrophobicContact CB-CG1 4.5Å; L101-I108 VanDerWaalsContact O-CD1 3.31Å; L101-I108 WeakPolarHBondContact O-CD1 3.19Å; L101-I108 WeakPolarHBondContact O-CG1 3.26Å; C104-I108 HydrophobicContact CB-CG1 4.42Å; G105-I108 WeakPolarHBondContact O-CB 3.49Å; G105-I108 WeakPolarHBondContact O-CG1 3.26Å; G105-I108 PolarHBondContact O-N 2.93Å; H106-I108 VanDerWaalsContact C-N 3.25Å; I108-N376 PolarHBondContact N-OD1 3.25Å; I108-N376 PolarHBondContact O-OD1 2.88Å
109	S	77.7	Confident	82.2	Confident	62 Å²	62	43.1 Å²	43.1	43%	0.434	22%	0.219	S	C	.	.			trans	-123.6	135	174.5	-160	0	0	0	0	112.5	Q107 C111	Q107-S109 PolarHBondContact O-N 3.49Å; S109-C111 VanDerWaalsContact C-N 3.29Å; S109-C111 WeakPolarHBondContact OG-CB 3.23Å; S109-C111 PolarHBondContact OG-N 3.35Å
110	A	80.5	Confident	82.5	Confident	20 Å²	20	42.6 Å²	42.6	17%	0.165	22%	0.217	C	C	.	.			trans	-84.1	-5.8	166.2	0	0	0	0	0	112.1	F53 H112 P193 Y233	F53-A110 HydrophobicContact CD2-CB 4.48Å; F53-A110 HydrophobicContact CE1-CB 4.39Å; F53-A110 HydrophobicContact CE2-CB 3.82Å; F53-A110 HydrophobicContact CZ-CB 3.78Å; A110-H112 PolarHBondContact O-N 3.43Å; A110-P193 HydrophobicContact CB-CB 3.75Å; A110-P193 WeakPolarHBondContact O-CB 3.42Å; A110-Y233 HydrophobicContact CB-CE1 4.4Å
111	C	80.6	Confident	82.8	Confident	29 Å²	29	42.4 Å²	42.4	20%	0.196	22%	0.216	C	C	.	.			trans	-69.8	116.5	177.4	174.2	0	0	0	0	110.6	S109 C194	S109-C111 VanDerWaalsContact C-N 3.29Å; S109-C111 WeakPolarHBondContact OG-CB 3.23Å; S109-C111 PolarHBondContact OG-N 3.35Å; C111-C194 WeakPolarHBondContact CA-SG 3.26Å; C111-C194 HydrophobicContact CB-CB 3.87Å; C111-C194 WeakPolarHBondContact CB-SG 3.46Å; C111-C194 VanDerWaalsContact SG-CA 3.57Å; C111-C194 WeakPolarHBondContact SG-CB 3.47Å; C111-C194 CovalentContact SG-SG 2.03Å; C111-C194 PolarHBondContact SG-SG 2.68Å
112	H	77.9	Confident	83.3	Confident	26 Å²	26	46.2 Å²	46.2	12%	0.12	23%	0.229	C	C	.	.			trans	-127.2	112.6	178.9	-164.9	81.5	0	0	0	109.9	H46 A110 D114 Y116 L191	H46-H112 AromaticContact ND1-CD2 3.79Å; H46-H112 AromaticContact ND1-CG 3.56Å; H46-H112 AromaticContact ND1-ND1 3.76Å; A110-H112 PolarHBondContact O-N 3.43Å; H112-D114 IonicContact NE2-OD2 3.74Å; H112-D114 PolarHBondContact NE2-OD2 3.39Å; H112-Y116 PolarHBondContact NE2-OH 2.87Å; H112-L191 VanDerWaalsContact O-CD2 3.29Å; H112-L191 WeakPolarHBondContact O-CD2 3.18Å
113	R	79.9	Confident	83.7	Confident	155 Å²	155	47 Å²	47	59%	0.585	24%	0.238	S	C	*	.			trans	-98	-18.3	-169.4	-63.4	-173.4	-177.2	-170.4	1.6	114.6	Q138 L191	R113-Q138 PolarHBondContact O-NE2 3.16Å; R113-L191 HydrophobicContact CB-CD2 4.49Å; R113-L191 HydrophobicContact CG-CD2 4.23Å
114	D	82.3	Confident	84.5	Confident	68 Å²	68	48.9 Å²	48.9	36%	0.364	25%	0.252	S	S	.	.			trans	-61.3	142.3	-166.3	-51.1	-16.3	0	0	0	113.2	H112 Y116	H112-D114 IonicContact NE2-OD2 3.74Å; H112-D114 PolarHBondContact NE2-OD2 3.39Å; D114-Y116 HydrophobicContact CB-CE1 4.36Å; D114-Y116 HydrophobicContact CB-CE2 3.86Å
115	I	92.4	Very high	85.8	Confident	51 Å²	51	52.5 Å²	52.5	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.4	169.3	-60	-57.7	0	0	0	108.5	V134 F150 E186	I115-V134 HydrophobicContact CD1-CG2 4.17Å; I115-V134 HydrophobicContact CG2-CG1 4.23Å; I115-V134 HydrophobicContact CG2-CG2 3.76Å; I115-F150 HydrophobicContact CD1-CZ 3.74Å; I115-E186 HydrophobicContact CG2-CB 4.01Å
116	Y	94.6	Very high	87	Confident	25 Å²	25	54.2 Å²	54.2	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.8	-174.5	-61.6	-84.2	0	0	0	111	P42 N43 H112 D114 I119 E186 S187	P42-Y116 HydrophobicContact CB-CD1 3.63Å; P42-Y116 HydrophobicContact CB-CD2 3.95Å; P42-Y116 HydrophobicContact CB-CE1 3.55Å; P42-Y116 HydrophobicContact CB-CE2 3.92Å; P42-Y116 HydrophobicContact CB-CG 3.79Å; P42-Y116 HydrophobicContact CG-CD1 4.14Å; P42-Y116 HydrophobicContact CG-CD2 3.9Å; P42-Y116 HydrophobicContact CG-CE1 3.64Å; P42-Y116 HydrophobicContact CG-CE2 3.4Å; P42-Y116 VanDerWaalsContact CG-CE2 3.4Å; P42-Y116 HydrophobicContact CG-CG 4.23Å; P42-Y116 WeakPolarHBondContact CG-OH 2.99Å; N43-Y116 HydrophobicContact CB-CE1 4.19Å; N43-Y116 VanDerWaalsContact CG-OH 3.31Å; N43-Y116 PolarHBondContact ND2-OH 3.07Å; N43-Y116 PolarHBondContact OD1-OH 2.9Å; H112-Y116 PolarHBondContact NE2-OH 2.87Å; D114-Y116 HydrophobicContact CB-CE1 4.36Å; D114-Y116 HydrophobicContact CB-CE2 3.86Å; Y116-I119 VanDerWaalsContact CB-CD1 3.43Å; Y116-I119 HydrophobicContact CD1-CD1 4.35Å; Y116-I119 HydrophobicContact CG-CD1 3.97Å; Y116-E186 CarbonylContact O-C 3.59Å; Y116-E186 WeakPolarHBondContact O-CA 3.45Å; Y116-S187 PolarHBondContact N-O 3.3Å; Y116-S187 PolarHBondContact O-N 2.83Å
117	K	94.9	Very high	88.5	Confident	151 Å²	151	53.4 Å²	53.4	66%	0.657	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.2	178.7	-52.1	-168.4	178.5	-122.1	0	111.1	I119 E186	K117-I119 VanDerWaalsContact C-N 3.28Å; K117-I119 PolarHBondContact O-N 3.29Å; K117-E186 HydrophobicContact CB-CG 4.36Å; K117-E186 WeakPolarHBondContact CD-OE1 3.49Å; K117-E186 WeakPolarHBondContact CE-OE1 3.35Å; K117-E186 HydrophobicContact CG-CG 4.04Å; K117-E186 WeakPolarHBondContact CG-OE1 3.48Å; K117-E186 IonicContact NZ-OE1 3.63Å; K117-E186 PolarHBondContact NZ-OE1 3.41Å; K117-E186 IonicContact NZ-OE2 2.67Å
118	G	95.2	Very high	90.1	Very high	20 Å²	20	53.7 Å²	53.7	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	13.5	176.6	0	0	0	0	0	114.7	V181 L182 V185	G118-V181 CarbonylContact O-C 3.58Å; G118-V181 WeakPolarHBondContact O-CA 3.3Å; G118-L182 CarbonylContact C-O 3.52Å; G118-L182 WeakPolarHBondContact CA-O 3.47Å; G118-L182 PolarHBondContact O-N 3.28Å; G118-V185 PolarHBondContact N-O 3.28Å
119	I	95.4	Very high	91.2	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.6	174.5	69.5	167.6	0	0	0	112.3	P42 F75 Y116 K117 M121 I179 K180 S187	P42-I119 HydrophobicContact CB-CD1 3.56Å; F75-I119 HydrophobicContact CE1-CG2 4.28Å; F75-I119 HydrophobicContact CZ-CG2 3.72Å; Y116-I119 VanDerWaalsContact CB-CD1 3.43Å; Y116-I119 HydrophobicContact CD1-CD1 4.35Å; Y116-I119 HydrophobicContact CG-CD1 3.97Å; K117-I119 VanDerWaalsContact C-N 3.28Å; K117-I119 PolarHBondContact O-N 3.29Å; I119-M121 HydrophobicContact CD1-CG 4.39Å; I119-I179 HydrophobicContact CB-CG2 4.04Å; I119-I179 HydrophobicContact CD1-CG2 3.88Å; I119-I179 HydrophobicContact CG1-CG2 4.46Å; I119-I179 HydrophobicContact CG2-CG2 4.48Å; I119-K180 CarbonylContact C-O 3.57Å; I119-K180 VanDerWaalsContact CA-O 3.31Å; I119-K180 WeakPolarHBondContact CA-O 3.21Å; I119-S187 PolarHBondContact O-OG 2.77Å
120	D	96.7	Very high	92.1	Very high	11 Å²	11	57 Å²	57	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.4	175.1	176.9	11.6	0	0	0	109.8	R122 S151 K169 K180 L182 V185	D120-R122 IonicContact OD1-NE 3.35Å; D120-R122 IonicContact OD2-CZ 2.92Å; D120-R122 IonicContact OD2-NE 2.82Å; D120-R122 PolarHBondContact OD2-NE 3.26Å; D120-R122 IonicContact OD2-NH1 2.82Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.85Å; D120-S151 PolarHBondContact OD1-OG 2.89Å; D120-K169 IonicContact OD1-NZ 2.58Å; D120-K169 PolarHBondContact OD1-NZ 3.35Å; D120-K180 PolarHBondContact N-O 2.95Å; D120-K180 PolarHBondContact O-N 2.84Å; D120-L182 HydrophobicContact CB-CB 4.13Å; D120-L182 HydrophobicContact CB-CD2 4Å; D120-V185 HydrophobicContact CB-CG1 4.22Å
121	M	97.8	Very high	92.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	107.3	179	-71.7	-158.4	-70.7	0	0	110.1	P42 I119 F149 K169 P176 I179 S187 G188 F189	P42-M121 HydrophobicContact CB-SD 4.49Å; P42-M121 HydrophobicContact CG-SD 4.39Å; I119-M121 HydrophobicContact CD1-CG 4.39Å; M121-F149 HydrophobicContact CB-CD2 3.99Å; M121-F149 HydrophobicContact CB-CE2 4.3Å; M121-F149 HydrophobicContact CE-CB 4.06Å; M121-K169 WeakPolarHBondContact O-CD 3.45Å; M121-K169 WeakPolarHBondContact O-CE 3.46Å; M121-K169 PolarHBondContact O-NZ 2.78Å; M121-P176 HydrophobicContact CB-CB 3.98Å; M121-P176 HydrophobicContact CB-CG 3.61Å; M121-P176 HydrophobicContact CG-CB 4.41Å; M121-P176 HydrophobicContact CG-CG 3.74Å; M121-P176 HydrophobicContact SD-CG 3.5Å; M121-P176 VanDerWaalsContact SD-CG 3.5Å; M121-I179 HydrophobicContact CG-CD1 4.22Å; M121-I179 HydrophobicContact CG-CG1 4.17Å; M121-I179 HydrophobicContact SD-CD1 4.42Å; M121-S187 PolarHBondContact N-OG 2.82Å; M121-G188 WeakPolarHBondContact CE-O 3.42Å; M121-F189 HydrophobicContact CE-CD2 4.13Å; M121-F189 HydrophobicContact CE-CE2 3.89Å; M121-F189 HydrophobicContact CE-CZ 4.21Å; M121-F189 HydrophobicContact SD-CE2 3.81Å; M121-F189 HydrophobicContact SD-CZ 3.84Å
122	R	96.4	Very high	93.4	Very high	103 Å²	103	59.7 Å²	59.7	39%	0.389	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	145.2	-174.4	-61.1	-67.5	175.2	145.2	-12	112.3	D120 P176 T177 T178	D120-R122 IonicContact OD1-NE 3.35Å; D120-R122 IonicContact OD2-CZ 2.92Å; D120-R122 IonicContact OD2-NE 2.82Å; D120-R122 PolarHBondContact OD2-NE 3.26Å; D120-R122 IonicContact OD2-NH1 2.82Å; D120-R122 IonicContact OD2-NH2 2.68Å; D120-R122 PolarHBondContact OD2-NH2 2.85Å; R122-P176 CarbonylContact O-C 3.21Å; R122-P176 VanDerWaalsContact O-CA 3.22Å; R122-P176 WeakPolarHBondContact O-CA 3.09Å; R122-P176 WeakPolarHBondContact O-CB 3.22Å; R122-T177 PolarHBondContact O-N 3.42Å; R122-T177 PolarHBondContact O-OG1 2.92Å; R122-T178 WeakPolarHBondContact CB-O 3.3Å; R122-T178 WeakPolarHBondContact CB-OG1 3.31Å; R122-T178 WeakPolarHBondContact CG-OG1 3.17Å; R122-T178 PolarHBondContact N-O 3.19Å
123	G	96.1	Very high	94.2	Very high	20 Å²	20	60.1 Å²	60.1	21%	0.206	31%	0.313	C	S	.	.	S	Bend	trans	-176.4	-172.9	-178.7	0	0	0	0	0	109.8	N125	G123-N125 PolarHBondContact O-N 2.94Å
124	V	95.9	Very high	94.9	Very high	81 Å²	81	53 Å²	53	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	110.7	175.1	179.8	0	0	0	0	108.8	F126 K169 H170	V124-F126 PolarHBondContact O-N 3.23Å; V124-K169 VanDerWaalsContact O-CA 3.3Å; V124-K169 WeakPolarHBondContact O-CA 3.41Å; V124-H170 PolarHBondContact N-O 3.04Å; V124-H170 PolarHBondContact O-N 2.99Å
125	N	96.2	Very high	95.4	Very high	86 Å²	86	55.2 Å²	55.2	46%	0.46	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108	172.2	-65.2	-26.2	0	0	0	108.7	G123 K169	G123-N125 PolarHBondContact O-N 2.94Å; N125-K169 WeakPolarHBondContact OD1-CE 3.36Å; N125-K169 WeakPolarHBondContact OD1-CG 3.29Å
126	F	94.7	Very high	95.5	Very high	48 Å²	48	55.6 Å²	55.6	21%	0.211	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-13.3	-177.3	73.8	-85	0	0	0	113.6	V124 N144 R146 C147 L168 H170	V124-F126 PolarHBondContact O-N 3.23Å; F126-N144 WeakPolarHBondContact CE2-OD1 3.46Å; F126-N144 VanDerWaalsContact CZ-OD1 3.32Å; F126-N144 WeakPolarHBondContact CZ-OD1 3.43Å; F126-R146 HydrophobicContact CE1-CB 4.43Å; F126-R146 HydrophobicContact CE2-CB 4.02Å; F126-R146 HydrophobicContact CZ-CB 3.87Å; F126-C147 HydrophobicContact CE1-CB 4.24Å; F126-C147 HydrophobicContact CZ-CB 3.92Å; F126-L168 VanDerWaalsContact CD1-O 3.26Å; F126-L168 WeakPolarHBondContact CD1-O 3.37Å; F126-L168 HydrophobicContact CE1-CB 3.88Å; F126-L168 HydrophobicContact CZ-CB 3.91Å; F126-L168 PolarHBondContact N-O 3.38Å; F126-H170 AromaticContact CD1-CD2 3.49Å; F126-H170 VanDerWaalsContact CD1-CD2 3.49Å; F126-H170 WeakPolarHBondContact CD1-CD2 3.49Å; F126-H170 AromaticContact CE1-CD2 3.99Å
127	N	95.5	Very high	95.6	Very high	68 Å²	68	54.4 Å²	54.4	36%	0.364	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	131.8	172.2	-173.2	-79	0	0	0	109.6	L168	N127-L168 HydrophobicContact CB-CB 4.12Å; N127-L168 HydrophobicContact CB-CD1 4.17Å; N127-L168 HydrophobicContact CB-CG 4.29Å; N127-L168 PolarHBondContact O-N 2.91Å
128	V	96.8	Very high	95.7	Very high	84 Å²	84	48.1 Å²	48.1	51%	0.509	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.9	-178.1	-177.1	0	0	0	0	107.5	T165 C166 L167	V128-T165 HydrophobicContact CG1-CG2 3.41Å; V128-T165 VanDerWaalsContact CG1-CG2 3.41Å; V128-C166 WeakPolarHBondContact CA-O 3.45Å; V128-L167 HydrophobicContact CB-CD2 4.38Å; V128-L167 HydrophobicContact CG1-CD2 3.95Å; V128-L167 HydrophobicContact CG2-CD2 3.71Å
129	S	97.3	Very high	95.5	Very high	29 Å²	29	52.1 Å²	52.1	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.3	-176.7	59.5	0	0	0	0	112.6	R140 C166	S129-R140 VanDerWaalsContact CB-NH1 3.31Å; S129-R140 PolarHBondContact OG-NH1 3.41Å; S129-C166 PolarHBondContact N-O 3.45Å; S129-C166 PolarHBondContact O-N 3.24Å
130	K	97.3	Very high	95.6	Very high	110 Å²	110	55.7 Å²	55.7	48%	0.478	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.7	172	-63.8	-62.6	-174.7	-175.2	0	110.9	R140 E161 R163 N164 T165	K130-R140 PolarHBondContact O-NH1 2.92Å; K130-R140 PolarHBondContact O-NH2 2.78Å; K130-R140 VanDerWaalsContact O-NH2 3.1Å; K130-E161 PolarHBondContact NZ-O 3.44Å; K130-R163 PolarHBondContact NZ-O 2.89Å; K130-N164 WeakPolarHBondContact CA-O 3.23Å; K130-T165 PolarHBondContact NZ-OG1 3.47Å
131	V	96.5	Very high	95.6	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	29%	0.285	C	S	.	.			trans	-139.6	159.6	177	-63.8	0	0	0	0	110	S133 E136 C137 R140 Y152 N164 C166	V131-S133 WeakPolarHBondContact CG2-O 3.46Å; V131-E136 HydrophobicContact CB-CB 4.25Å; V131-E136 HydrophobicContact CB-CG 4.38Å; V131-E136 HydrophobicContact CG1-CG 4.38Å; V131-C137 HydrophobicContact CG2-CB 4.22Å; V131-R140 VanDerWaalsContact CG1-CZ 3.44Å; V131-Y152 HydrophobicContact CG2-CD2 3.45Å; V131-Y152 VanDerWaalsContact CG2-CD2 3.45Å; V131-Y152 HydrophobicContact CG2-CE2 3.3Å; V131-N164 PolarHBondContact N-O 3.37Å; V131-N164 WeakPolarHBondContact O-CB 3.16Å; V131-C166 HydrophobicContact CB-CB 4.33Å; V131-C166 HydrophobicContact CG1-CB 3.59Å; V131-C166 HydrophobicContact CG2-CB 3.75Å
132	S	92.4	Very high	95.4	Very high	94 Å²	94	55.3 Å²	55.3	66%	0.657	29%	0.286	S	S	*	.	S	Bend	trans	-81.5	-31.2	176	60	0	0	0	0	113.8	E136 Y152	S132-E136 WeakPolarHBondContact CB-OE2 3.26Å; S132-E136 PolarHBondContact N-OE2 2.95Å; S132-E136 PolarHBondContact OG-OE2 3.09Å; S132-Y152 PolarHBondContact O-OH 3.37Å
133	S	94.4	Very high	95.3	Very high	35 Å²	35	52.6 Å²	52.6	25%	0.245	28%	0.279	C	S	.	.	S	Bend	trans	-149.2	171.4	-176.3	90.8	0	0	0	0	114.2	V131 E135 E136 C137	V131-S133 WeakPolarHBondContact CG2-O 3.46Å; S133-E135 WeakPolarHBondContact CB-OE2 3.21Å; S133-E135 PolarHBondContact OG-N 2.87Å; S133-E135 PolarHBondContact OG-OE2 3.19Å; S133-E136 PolarHBondContact O-N 3.32Å; S133-E136 PolarHBondContact OG-N 3.5Å; S133-C137 PolarHBondContact O-N 2.85Å; S133-C137 VanDerWaalsContact O-N 3.17Å
134	V	94.6	Very high	95.3	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-68.7	-34.7	175.9	70.2	0	0	0	0	112.1	I115 C137 Q138 F150 Y152 E186	I115-V134 HydrophobicContact CD1-CG2 4.17Å; I115-V134 HydrophobicContact CG2-CG1 4.23Å; I115-V134 HydrophobicContact CG2-CG2 3.76Å; V134-C137 WeakPolarHBondContact O-CB 3.46Å; V134-C137 PolarHBondContact O-N 2.7Å; V134-Q138 PolarHBondContact O-N 2.74Å; V134-F150 HydrophobicContact CG2-CE2 3.83Å; V134-F150 HydrophobicContact CG2-CZ 4.4Å; V134-Y152 HydrophobicContact CB-CD1 3.69Å; V134-Y152 HydrophobicContact CB-CE1 4.31Å; V134-Y152 HydrophobicContact CB-CG 4.29Å; V134-Y152 HydrophobicContact CG2-CD1 4.17Å; V134-Y152 HydrophobicContact CG2-CG 4.47Å; V134-E186 HydrophobicContact CB-CB 4.49Å; V134-E186 WeakPolarHBondContact CB-OE2 3.25Å; V134-E186 WeakPolarHBondContact CG1-OE2 3.09Å; V134-E186 HydrophobicContact CG2-CB 3.81Å
135	E	92.1	Very high	95.1	Very high	115 Å²	115	52.4 Å²	52.4	54%	0.537	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-38.3	176.1	-57.1	74.5	-163.1	0	0	110.8	S133 C137 Q138 K139	S133-E135 WeakPolarHBondContact CB-OE2 3.21Å; S133-E135 PolarHBondContact OG-N 2.87Å; S133-E135 PolarHBondContact OG-OE2 3.19Å; E135-C137 VanDerWaalsContact C-N 3.34Å; E135-Q138 PolarHBondContact O-N 3.47Å; E135-K139 WeakPolarHBondContact O-CB 2.97Å; E135-K139 PolarHBondContact O-N 2.74Å
136	E	94.5	Very high	94.9	Very high	58 Å²	58	52.5 Å²	52.5	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-41.1	172.3	-162.3	-163.5	152.5	0	0	111	V131 S132 S133 K139 R140	V131-E136 HydrophobicContact CB-CB 4.25Å; V131-E136 HydrophobicContact CB-CG 4.38Å; V131-E136 HydrophobicContact CG1-CG 4.38Å; S132-E136 WeakPolarHBondContact CB-OE2 3.26Å; S132-E136 PolarHBondContact N-OE2 2.95Å; S132-E136 PolarHBondContact OG-OE2 3.09Å; S133-E136 PolarHBondContact O-N 3.32Å; S133-E136 PolarHBondContact OG-N 3.5Å; E136-K139 PolarHBondContact O-N 2.98Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 IonicContact OE1-CZ 3.29Å; E136-R140 VanDerWaalsContact OE1-CZ 3.28Å; E136-R140 IonicContact OE1-NE 3.62Å; E136-R140 PolarHBondContact OE1-NE 3.35Å; E136-R140 IonicContact OE1-NH2 2.75Å; E136-R140 PolarHBondContact OE1-NH2 3.29Å
137	C	97.4	Very high	95	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-43.7	173.8	-168.5	0	0	0	0	112.3	V131 S133 V134 E135 K139 R140 C141 F150 C166	V131-C137 HydrophobicContact CG2-CB 4.22Å; S133-C137 PolarHBondContact O-N 2.85Å; S133-C137 VanDerWaalsContact O-N 3.17Å; V134-C137 WeakPolarHBondContact O-CB 3.46Å; V134-C137 PolarHBondContact O-N 2.7Å; E135-C137 VanDerWaalsContact C-N 3.34Å; C137-K139 VanDerWaalsContact C-N 3.34Å; C137-K139 PolarHBondContact O-N 3.05Å; C137-R140 PolarHBondContact O-N 3.47Å; C137-C141 PolarHBondContact O-N 2.83Å; C137-F150 HydrophobicContact CB-CD2 4.03Å; C137-F150 HydrophobicContact CB-CE2 4.21Å; C137-F150 WeakPolarHBondContact SG-CD2 3.25Å; C137-C166 WeakPolarHBondContact CA-SG 3.03Å; C137-C166 HydrophobicContact CB-CB 3.76Å; C137-C166 WeakPolarHBondContact CB-SG 3.44Å; C137-C166 VanDerWaalsContact SG-CA 3.54Å; C137-C166 WeakPolarHBondContact SG-CB 2.99Å; C137-C166 CovalentContact SG-SG 2.03Å; C137-C166 PolarHBondContact SG-SG 2.88Å
138	Q	95.9	Very high	95	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.093	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-41	175.1	-173.4	166.6	53.8	0	0	111.8	R113 V134 E135 C141 T142 F150 F189 L191	R113-Q138 PolarHBondContact O-NE2 3.16Å; V134-Q138 PolarHBondContact O-N 2.74Å; E135-Q138 PolarHBondContact O-N 3.47Å; Q138-C141 PolarHBondContact O-N 3.38Å; Q138-T142 VanDerWaalsContact O-CB 3.3Å; Q138-T142 WeakPolarHBondContact O-CB 3.41Å; Q138-T142 PolarHBondContact O-N 2.03Å; Q138-T142 PolarHBondContact O-OG1 3.47Å; Q138-F150 HydrophobicContact CB-CE1 3.57Å; Q138-F150 HydrophobicContact CB-CE2 4.42Å; Q138-F150 HydrophobicContact CB-CZ 3.5Å; Q138-F150 HydrophobicContact CG-CE1 3.67Å; Q138-F150 HydrophobicContact CG-CZ 3.97Å; Q138-F189 PolarHBondContact NE2-O 2.97Å; Q138-L191 HydrophobicContact CG-CD1 3.95Å; Q138-L191 HydrophobicContact CG-CG 3.9Å
139	K	92.1	Very high	95.1	Very high	104 Å²	104	44.5 Å²	44.5	45%	0.452	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-46	174.7	-173.5	171.5	-176.5	173.5	0	111.2	E135 E136 C137 C141 T142 N143 E198	E135-K139 WeakPolarHBondContact O-CB 2.97Å; E135-K139 PolarHBondContact O-N 2.74Å; E136-K139 PolarHBondContact O-N 2.98Å; C137-K139 VanDerWaalsContact C-N 3.34Å; C137-K139 PolarHBondContact O-N 3.05Å; K139-C141 VanDerWaalsContact C-N 3.34Å; K139-C141 PolarHBondContact O-N 3.02Å; K139-T142 PolarHBondContact O-N 2.9Å; K139-N143 WeakPolarHBondContact O-CB 3.03Å; K139-N143 PolarHBondContact O-N 3.46Å; K139-E198 WeakPolarHBondContact CE-OE1 3.37Å; K139-E198 WeakPolarHBondContact CE-OE2 3.5Å; K139-E198 VanDerWaalsContact NZ-CD 3.34Å; K139-E198 IonicContact NZ-OE1 3.11Å; K139-E198 PolarHBondContact NZ-OE1 3.15Å; K139-E198 IonicContact NZ-OE2 2.96Å; K139-E198 PolarHBondContact NZ-OE2 3.26Å
140	R	97.1	Very high	95.1	Very high	87 Å²	87	43.1 Å²	43.1	33%	0.328	21%	0.21	S	C	.	.	H	α-helix	trans	-59.5	-41.1	174.8	-72.8	-174.3	-173.4	-171.8	7.3	112.2	S129 K130 V131 E136 C137 N143 N144 L168	S129-R140 VanDerWaalsContact CB-NH1 3.31Å; S129-R140 PolarHBondContact OG-NH1 3.41Å; K130-R140 PolarHBondContact O-NH1 2.92Å; K130-R140 PolarHBondContact O-NH2 2.78Å; K130-R140 VanDerWaalsContact O-NH2 3.1Å; V131-R140 VanDerWaalsContact CG1-CZ 3.44Å; E136-R140 WeakPolarHBondContact O-CG 3.49Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 IonicContact OE1-CZ 3.29Å; E136-R140 VanDerWaalsContact OE1-CZ 3.28Å; E136-R140 IonicContact OE1-NE 3.62Å; E136-R140 PolarHBondContact OE1-NE 3.35Å; E136-R140 IonicContact OE1-NH2 2.75Å; E136-R140 PolarHBondContact OE1-NH2 3.29Å; C137-R140 PolarHBondContact O-N 3.47Å; R140-N143 CarbonylContact O-C 3.48Å; R140-N143 PolarHBondContact O-N 3.44Å; R140-N144 WeakPolarHBondContact O-CB 3.23Å; R140-N144 PolarHBondContact O-N 3.19Å; R140-L168 HydrophobicContact CB-CD2 4.49Å
141	C	97.3	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-49.4	173.4	-171.6	0	0	0	0	112	C137 Q138 K139 N143 N144 C147 F150 L168 S190	C137-C141 PolarHBondContact O-N 2.83Å; Q138-C141 PolarHBondContact O-N 3.38Å; K139-C141 VanDerWaalsContact C-N 3.34Å; K139-C141 PolarHBondContact O-N 3.02Å; C141-N143 PolarHBondContact O-N 3.03Å; C141-N143 VanDerWaalsContact O-N 3.15Å; C141-N144 PolarHBondContact O-N 3.48Å; C141-C147 WeakPolarHBondContact CA-SG 3.17Å; C141-C147 HydrophobicContact CB-CB 3.95Å; C141-C147 WeakPolarHBondContact CB-SG 3.31Å; C141-C147 WeakPolarHBondContact O-CB 3.37Å; C141-C147 WeakPolarHBondContact SG-CB 3.49Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 2.82Å; C141-F150 HydrophobicContact CB-CB 4.25Å; C141-F150 HydrophobicContact CB-CD1 3.79Å; C141-F150 HydrophobicContact CB-CG 4.34Å; C141-L168 HydrophobicContact CB-CD2 3.79Å; C141-S190 PolarHBondContact O-OG 2.89Å
142	T	93.3	Very high	95.3	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-57.1	-32.3	178.6	-58.8	0	0	0	0	112.5	Q138 K139 S190 L191 K192 L196 S197	Q138-T142 VanDerWaalsContact O-CB 3.3Å; Q138-T142 WeakPolarHBondContact O-CB 3.41Å; Q138-T142 PolarHBondContact O-N 2.03Å; Q138-T142 PolarHBondContact O-OG1 3.47Å; K139-T142 PolarHBondContact O-N 2.9Å; T142-S190 WeakPolarHBondContact CA-OG 3.04Å; T142-L191 HydrophobicContact CG2-CB 3.83Å; T142-L191 WeakPolarHBondContact OG1-CB 3.43Å; T142-L191 PolarHBondContact OG1-N 3.2Å; T142-K192 PolarHBondContact O-NZ 3.28Å; T142-L196 HydrophobicContact CG2-CB 4.47Å; T142-S197 PolarHBondContact O-OG 2.71Å
143	N	93.9	Very high	95.6	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.241	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.1	180	-68.8	-15.1	0	0	0	115.1	K139 R140 C141 E198 I199	K139-N143 WeakPolarHBondContact O-CB 3.03Å; K139-N143 PolarHBondContact O-N 3.46Å; R140-N143 CarbonylContact O-C 3.48Å; R140-N143 PolarHBondContact O-N 3.44Å; C141-N143 PolarHBondContact O-N 3.03Å; C141-N143 VanDerWaalsContact O-N 3.15Å; N143-E198 PolarHBondContact ND2-OE2 3.32Å; N143-E198 WeakPolarHBondContact OD1-CB 3.36Å; N143-E198 PolarHBondContact OD1-N 3.35Å; N143-I199 WeakPolarHBondContact O-CD1 3.36Å; N143-I199 WeakPolarHBondContact O-CG1 3.42Å
144	N	95.1	Very high	95.7	Very high	42 Å²	42	33.1 Å²	33.1	23%	0.225	15%	0.152	C	C	.	.	S	Bend	trans	-102.8	127	170.8	-175.6	-71.1	0	0	0	110.1	F126 R140 C141 R146 C147 L168 K192	F126-N144 WeakPolarHBondContact CE2-OD1 3.46Å; F126-N144 VanDerWaalsContact CZ-OD1 3.32Å; F126-N144 WeakPolarHBondContact CZ-OD1 3.43Å; R140-N144 WeakPolarHBondContact O-CB 3.23Å; R140-N144 PolarHBondContact O-N 3.19Å; C141-N144 PolarHBondContact O-N 3.48Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 2.68Å; N144-R146 PolarHBondContact OD1-N 2.94Å; N144-C147 HydrophobicContact CB-CB 3.99Å; N144-C147 PolarHBondContact O-N 2.9Å; N144-C147 PolarHBondContact OD1-N 2.98Å; N144-L168 HydrophobicContact CB-CD1 3.99Å; N144-K192 WeakPolarHBondContact O-CE 3.43Å; N144-K192 PolarHBondContact O-NZ 2.86Å
145	I	92.1	Very high	95.7	Very high	56 Å²	56	39.6 Å²	39.6	29%	0.287	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.6	-173.1	-168.6	61.5	0	0	0	113.7	I199 L238 T283	I145-I199 HydrophobicContact CB-CD1 4.41Å; I145-I199 HydrophobicContact CD1-CD1 4.46Å; I145-L238 HydrophobicContact CD1-CD2 4.33Å; I145-L238 HydrophobicContact CG1-CD1 4.31Å; I145-L238 HydrophobicContact CG1-CD2 4.1Å; I145-T283 HydrophobicContact CD1-CG2 3.72Å
146	R	93.1	Very high	95.9	Very high	88 Å²	88	38.5 Å²	38.5	33%	0.332	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.2	-178.8	-69.9	-173.4	-77.1	170.4	-12.5	114.6	F126 N144 Q148 H170 E262	F126-R146 HydrophobicContact CE1-CB 4.43Å; F126-R146 HydrophobicContact CE2-CB 4.02Å; F126-R146 HydrophobicContact CZ-CB 3.87Å; N144-R146 VanDerWaalsContact C-N 3.27Å; N144-R146 PolarHBondContact O-N 2.68Å; N144-R146 PolarHBondContact OD1-N 2.94Å; R146-Q148 PolarHBondContact O-N 3.48Å; R146-H170 WeakPolarHBondContact O-CB 3.48Å; R146-E262 PolarHBondContact NE-O 2.83Å; R146-E262 PolarHBondContact NH1-O 3.01Å; R146-E262 PolarHBondContact NH2-O 2.04Å
147	C	96.2	Very high	96	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	17%	0.174	C	C	.	.			trans	-76.7	120.5	-173.7	-168.8	0	0	0	0	112.5	F126 C141 N144 F149 L168 S190	F126-C147 HydrophobicContact CE1-CB 4.24Å; F126-C147 HydrophobicContact CZ-CB 3.92Å; C141-C147 WeakPolarHBondContact CA-SG 3.17Å; C141-C147 HydrophobicContact CB-CB 3.95Å; C141-C147 WeakPolarHBondContact CB-SG 3.31Å; C141-C147 WeakPolarHBondContact O-CB 3.37Å; C141-C147 WeakPolarHBondContact SG-CB 3.49Å; C141-C147 CovalentContact SG-SG 2.04Å; C141-C147 PolarHBondContact SG-SG 2.82Å; N144-C147 HydrophobicContact CB-CB 3.99Å; N144-C147 PolarHBondContact O-N 2.9Å; N144-C147 PolarHBondContact OD1-N 2.98Å; C147-F149 PolarHBondContact SG-O 2.9Å; C147-L168 HydrophobicContact CB-CB 4.32Å; C147-L168 HydrophobicContact CB-CD1 4.5Å; C147-S190 WeakPolarHBondContact O-CB 3.37Å; C147-S190 PolarHBondContact O-OG 3.36Å
148	Q	96.3	Very high	95.8	Very high	29 Å²	29	42.9 Å²	42.9	14%	0.136	20%	0.203	C	C	.	.	S	Bend	trans	-96.8	-41.5	175.1	-66.9	168.7	-16.5	0	0	111.1	R146 K169 H170 S171 S190 P235	R146-Q148 PolarHBondContact O-N 3.48Å; Q148-K169 PolarHBondContact N-O 3.5Å; Q148-H170 HydrophobicContact CG-CB 4.28Å; Q148-S171 PolarHBondContact NE2-O 3.5Å; Q148-S171 PolarHBondContact OE1-O 3.05Å; Q148-S171 PolarHBondContact OE1-OG 3.06Å; Q148-S190 WeakPolarHBondContact O-CB 3.21Å; Q148-S190 PolarHBondContact O-N 3.3Å; Q148-P235 PolarHBondContact NE2-O 3.04Å
149	F	98	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	168.3	178.8	54.3	-91.8	0	0	0	110.8	M121 C147 K169 P176 G188 F189	M121-F149 HydrophobicContact CB-CD2 3.99Å; M121-F149 HydrophobicContact CB-CE2 4.3Å; M121-F149 HydrophobicContact CE-CB 4.06Å; C147-F149 PolarHBondContact SG-O 2.9Å; F149-K169 HydrophobicContact CD2-CB 3.69Å; F149-K169 HydrophobicContact CD2-CD 4.03Å; F149-K169 HydrophobicContact CD2-CG 4.43Å; F149-K169 HydrophobicContact CE2-CB 3.52Å; F149-K169 HydrophobicContact CE2-CD 3.85Å; F149-K169 HydrophobicContact CE2-CG 4.32Å; F149-K169 HydrophobicContact CG-CB 4.47Å; F149-K169 HydrophobicContact CZ-CB 4.18Å; F149-K169 PolarHBondContact N-O 3.42Å; F149-K169 WeakPolarHBondContact O-CA 3.46Å; F149-K169 WeakPolarHBondContact O-CB 3.37Å; F149-K169 PolarHBondContact O-N 3.01Å; F149-K169 VanDerWaalsContact O-O 3.1Å; F149-P176 HydrophobicContact CD2-CG 4.41Å; F149-P176 HydrophobicContact CE1-CG 4.48Å; F149-P176 HydrophobicContact CE2-CB 4.34Å; F149-P176 HydrophobicContact CE2-CG 4.27Å; F149-P176 HydrophobicContact CZ-CB 4.31Å; F149-P176 HydrophobicContact CZ-CG 4.32Å; F149-G188 CarbonylContact C-O 3.2Å; F149-G188 VanDerWaalsContact CA-O 3.3Å; F149-G188 WeakPolarHBondContact CA-O 3.46Å; F149-G188 VanDerWaalsContact CB-O 3.31Å; F149-G188 WeakPolarHBondContact CB-O 3.24Å; F149-F189 HydrophobicContact CB-CD1 3.79Å; F149-F189 HydrophobicContact CB-CE1 3.99Å; F149-F189 HydrophobicContact CB-CG 4.38Å; F149-F189 HydrophobicContact CD1-CE1 4.24Å; F149-F189 HydrophobicContact CG-CE1 4.43Å
150	F	98.5	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	165.9	-176.7	66.3	-87.2	0	0	0	111.9	I115 V134 C137 Q138 C141 L167 L168 S187 G188	I115-F150 HydrophobicContact CD1-CZ 3.74Å; V134-F150 HydrophobicContact CG2-CE2 3.83Å; V134-F150 HydrophobicContact CG2-CZ 4.4Å; C137-F150 HydrophobicContact CB-CD2 4.03Å; C137-F150 HydrophobicContact CB-CE2 4.21Å; C137-F150 WeakPolarHBondContact SG-CD2 3.25Å; Q138-F150 HydrophobicContact CB-CE1 3.57Å; Q138-F150 HydrophobicContact CB-CE2 4.42Å; Q138-F150 HydrophobicContact CB-CZ 3.5Å; Q138-F150 HydrophobicContact CG-CE1 3.67Å; Q138-F150 HydrophobicContact CG-CZ 3.97Å; C141-F150 HydrophobicContact CB-CB 4.25Å; C141-F150 HydrophobicContact CB-CD1 3.79Å; C141-F150 HydrophobicContact CB-CG 4.34Å; F150-L167 WeakPolarHBondContact CA-O 3.46Å; F150-L167 WeakPolarHBondContact CB-O 3.35Å; F150-L168 HydrophobicContact CB-CD2 4.11Å; F150-S187 VanDerWaalsContact O-CA 3.3Å; F150-S187 WeakPolarHBondContact O-CA 3.04Å; F150-S187 WeakPolarHBondContact O-CB 3.32Å; F150-G188 WeakPolarHBondContact CD1-O 3.2Å; F150-G188 VanDerWaalsContact CE1-CA 3.46Å; F150-G188 WeakPolarHBondContact CE1-O 3.03Å; F150-G188 VanDerWaalsContact CZ-CA 3.49Å; F150-G188 PolarHBondContact N-O 2.84Å; F150-G188 PolarHBondContact O-N 3.49Å; F150-G188 VanDerWaalsContact O-N 3.14Å
151	S	98.5	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.7	161.7	-58.1	0	0	0	0	110.6	D120 L167 K169 E186 S187	D120-S151 PolarHBondContact OD1-OG 2.89Å; S151-L167 PolarHBondContact N-O 2.84Å; S151-L167 WeakPolarHBondContact O-CB 3.49Å; S151-L167 PolarHBondContact O-N 3.48Å; S151-K169 VanDerWaalsContact CB-NZ 3.28Å; S151-K169 PolarHBondContact OG-NZ 2.79Å; S151-E186 CarbonylContact C-O 3.49Å; S151-E186 WeakPolarHBondContact CA-O 3.49Å; S151-S187 WeakPolarHBondContact CB-OG 3.4Å; S151-S187 PolarHBondContact OG-OG 2.78Å
152	Y	98.4	Very high	95.6	Very high	15 Å²	15	50 Å²	50	6%	0.059	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.6	177.3	171.6	-118.5	0	0	0	109	V131 S132 V134 T154 N164 T165 V185 E186	V131-Y152 HydrophobicContact CG2-CD2 3.45Å; V131-Y152 VanDerWaalsContact CG2-CD2 3.45Å; V131-Y152 HydrophobicContact CG2-CE2 3.3Å; S132-Y152 PolarHBondContact O-OH 3.37Å; V134-Y152 HydrophobicContact CB-CD1 3.69Å; V134-Y152 HydrophobicContact CB-CE1 4.31Å; V134-Y152 HydrophobicContact CB-CG 4.29Å; V134-Y152 HydrophobicContact CG2-CD1 4.17Å; V134-Y152 HydrophobicContact CG2-CG 4.47Å; Y152-T154 HydrophobicContact CD1-CG2 4.07Å; Y152-T154 HydrophobicContact CE1-CG2 3.94Å; Y152-N164 PolarHBondContact OH-OD1 2.82Å; Y152-T165 WeakPolarHBondContact CA-O 3.12Å; Y152-V185 WeakPolarHBondContact O-CA 3.19Å; Y152-E186 PolarHBondContact N-O 3.09Å; Y152-E186 PolarHBondContact O-N 2.95Å
153	A	98.1	Very high	95.8	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.6	170.6	0	0	0	0	0	108.7	F157 Y162 N164 T165	A153-F157 HydrophobicContact CB-CB 4.08Å; A153-F157 HydrophobicContact CB-CD1 3.94Å; A153-F157 HydrophobicContact CB-CD2 4.18Å; A153-F157 HydrophobicContact CB-CE1 4.38Å; A153-F157 HydrophobicContact CB-CG 3.8Å; A153-Y162 WeakPolarHBondContact CB-O 3.07Å; A153-N164 VanDerWaalsContact O-CA 3.26Å; A153-N164 WeakPolarHBondContact O-CA 3.46Å; A153-N164 PolarHBondContact O-N 3.26Å; A153-T165 PolarHBondContact N-O 2.83Å; A153-T165 PolarHBondContact O-N 2.8Å
154	T	96.9	Very high	95.9	Very high	20 Å²	20	55 Å²	55	12%	0.123	27%	0.27	C	S	.	.			trans	-70.3	171.9	-173.4	64.8	0	0	0	0	112.7	Y152 T156 F157 N184 E186	Y152-T154 HydrophobicContact CD1-CG2 4.07Å; Y152-T154 HydrophobicContact CE1-CG2 3.94Å; T154-T156 PolarHBondContact O-N 3.5Å; T154-T156 PolarHBondContact OG1-OG1 3.09Å; T154-F157 WeakPolarHBondContact O-CB 3.34Å; T154-F157 PolarHBondContact O-N 2.58Å; T154-N184 WeakPolarHBondContact CB-O 3.45Å; T154-N184 WeakPolarHBondContact CG2-O 3.44Å; T154-N184 PolarHBondContact N-O 2.92Å; T154-N184 WeakPolarHBondContact OG1-CB 3.23Å; T154-N184 PolarHBondContact OG1-O 2.94Å; T154-E186 HydrophobicContact CG2-CG 4Å
155	Q	95.9	Very high	96.1	Very high	143 Å²	143	53.3 Å²	53.3	67%	0.668	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.7	176.7	-166.7	178	6.7	0	0	113.3	F157 R163 N164	Q155-F157 VanDerWaalsContact C-N 3.34Å; Q155-R163 WeakPolarHBondContact O-CD 3.5Å; Q155-R163 WeakPolarHBondContact O-CG 3.27Å; Q155-R163 PolarHBondContact O-NE 3.11Å; Q155-N164 WeakPolarHBondContact CA-OD1 3.37Å; Q155-N164 WeakPolarHBondContact CB-OD1 3.3Å; Q155-N164 PolarHBondContact N-OD1 2.93Å; Q155-N164 VanDerWaalsContact N-OD1 3.11Å
156	T	95.3	Very high	96.4	Very high	92 Å²	92	50.7 Å²	50.7	56%	0.564	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	6.5	178.1	57.2	0	0	0	0	113.1	T154 N184	T154-T156 PolarHBondContact O-N 3.5Å; T154-T156 PolarHBondContact OG1-OG1 3.09Å; T156-N184 PolarHBondContact O-ND2 2.93Å; T156-N184 VanDerWaalsContact OG1-CG 3.31Å; T156-N184 PolarHBondContact OG1-ND2 3.47Å
157	F	96.8	Very high	96.6	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.075	24%	0.237	C	C	.	.			trans	-60.5	142.4	178.4	-168.5	-109.5	0	0	0	111.9	A153 T154 Q155 N159 Y162 R163 L182 N184 V185	A153-F157 HydrophobicContact CB-CB 4.08Å; A153-F157 HydrophobicContact CB-CD1 3.94Å; A153-F157 HydrophobicContact CB-CD2 4.18Å; A153-F157 HydrophobicContact CB-CE1 4.38Å; A153-F157 HydrophobicContact CB-CG 3.8Å; T154-F157 WeakPolarHBondContact O-CB 3.34Å; T154-F157 PolarHBondContact O-N 2.58Å; Q155-F157 VanDerWaalsContact C-N 3.34Å; F157-N159 HydrophobicContact CD1-CB 4.29Å; F157-N159 HydrophobicContact CE1-CB 4.1Å; F157-N159 PolarHBondContact O-N 3.01Å; F157-Y162 HydrophobicContact CE1-CG 4.38Å; F157-R163 HydrophobicContact CB-CG 4.26Å; F157-R163 PolarHBondContact O-NE 3.28Å; F157-L182 HydrophobicContact CE2-CD1 4.48Å; F157-L182 HydrophobicContact CE2-CD2 4.11Å; F157-L182 HydrophobicContact CE2-CG 4.2Å; F157-L182 HydrophobicContact CZ-CD2 4.35Å; F157-N184 HydrophobicContact CB-CB 4.47Å; F157-N184 HydrophobicContact CD2-CB 4.33Å; F157-V185 HydrophobicContact CD2-CG2 3.59Å; F157-V185 HydrophobicContact CE2-CG2 3.28Å; F157-V185 HydrophobicContact CZ-CG2 4.22Å
158	H	94.1	Very high	96.7	Very high	133 Å²	133	47.5 Å²	47.5	62%	0.616	24%	0.237	S	C	*	.	S	Bend	trans	-64.5	-43.4	-167.2	59.4	-90.6	0	0	0	112.5	A160	H158-A160 PolarHBondContact O-N 2.81Å
159	N	95.1	Very high	96.8	Very high	63 Å²	63	46.2 Å²	46.2	34%	0.337	23%	0.231	S	C	.	.	S	Bend	trans	-81.1	116.9	172.1	-175.6	-18.2	0	0	0	109.8	F157 E161 Y162 R163	F157-N159 HydrophobicContact CD1-CB 4.29Å; F157-N159 HydrophobicContact CE1-CB 4.1Å; F157-N159 PolarHBondContact O-N 3.01Å; N159-E161 VanDerWaalsContact C-N 3.27Å; N159-E161 PolarHBondContact O-N 2.92Å; N159-E161 WeakPolarHBondContact OD1-CB 3.49Å; N159-E161 PolarHBondContact OD1-N 3.08Å; N159-Y162 HydrophobicContact CB-CD2 4.24Å; N159-Y162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-Y162 PolarHBondContact O-N 3.04Å; N159-Y162 VanDerWaalsContact O-N 3.15Å; N159-R163 PolarHBondContact O-N 3.21Å
160	A	93.8	Very high	96.7	Very high	63 Å²	63	48.8 Å²	48.8	52%	0.521	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-58.4	-35.2	-179.1	0	0	0	0	0	113.7	H158 Y162 R163	H158-A160 PolarHBondContact O-N 2.81Å; A160-Y162 VanDerWaalsContact C-N 3.26Å; A160-Y162 PolarHBondContact O-N 3.45Å; A160-R163 WeakPolarHBondContact O-CB 3.36Å; A160-R163 PolarHBondContact O-N 3.17Å
161	E	94.3	Very high	96.5	Very high	138 Å²	138	48.9 Å²	48.9	65%	0.645	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62	-34.9	178.7	-169.5	-169.8	175.5	0	0	112	K130 N159	K130-E161 PolarHBondContact NZ-O 3.44Å; N159-E161 VanDerWaalsContact C-N 3.27Å; N159-E161 PolarHBondContact O-N 2.92Å; N159-E161 WeakPolarHBondContact OD1-CB 3.49Å; N159-E161 PolarHBondContact OD1-N 3.08Å
162	Y	94.4	Very high	95.9	Very high	96 Å²	96	54.2 Å²	54.2	38%	0.376	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.4	-4.3	-178.2	-75.7	-92	0	0	0	114	A153 F157 N159 A160 N164 T165	A153-Y162 WeakPolarHBondContact CB-O 3.07Å; F157-Y162 HydrophobicContact CE1-CG 4.38Å; N159-Y162 HydrophobicContact CB-CD2 4.24Å; N159-Y162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-Y162 PolarHBondContact O-N 3.04Å; N159-Y162 VanDerWaalsContact O-N 3.15Å; A160-Y162 VanDerWaalsContact C-N 3.26Å; A160-Y162 PolarHBondContact O-N 3.45Å; Y162-N164 PolarHBondContact O-N 3.22Å; Y162-T165 HydrophobicContact CD1-CG2 4.44Å; Y162-T165 WeakPolarHBondContact O-CB 3.48Å; Y162-T165 PolarHBondContact O-N 2.98Å; Y162-T165 VanDerWaalsContact O-N 3.09Å; Y162-T165 PolarHBondContact O-OG1 2.61Å; Y162-T165 VanDerWaalsContact O-OG1 3.13Å
163	R	96.7	Very high	95.3	Very high	105 Å²	105	55.5 Å²	55.5	40%	0.396	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	134.5	176.8	-69.9	173.4	-177.6	175	4.8	111.1	K130 Q155 F157 N159 A160 T165	K130-R163 PolarHBondContact NZ-O 2.89Å; Q155-R163 WeakPolarHBondContact O-CD 3.5Å; Q155-R163 WeakPolarHBondContact O-CG 3.27Å; Q155-R163 PolarHBondContact O-NE 3.11Å; F157-R163 HydrophobicContact CB-CG 4.26Å; F157-R163 PolarHBondContact O-NE 3.28Å; N159-R163 PolarHBondContact O-N 3.21Å; A160-R163 WeakPolarHBondContact O-CB 3.36Å; A160-R163 PolarHBondContact O-N 3.17Å; R163-T165 PolarHBondContact O-N 2.87Å
164	N	97.1	Very high	95	Very high	49 Å²	49	56 Å²	56	26%	0.262	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	24.6	-176.5	-59.3	-9.1	0	0	0	113.7	K130 V131 Y152 A153 Q155 Y162	K130-N164 WeakPolarHBondContact CA-O 3.23Å; V131-N164 PolarHBondContact N-O 3.37Å; V131-N164 WeakPolarHBondContact O-CB 3.16Å; Y152-N164 PolarHBondContact OH-OD1 2.82Å; A153-N164 VanDerWaalsContact O-CA 3.26Å; A153-N164 WeakPolarHBondContact O-CA 3.46Å; A153-N164 PolarHBondContact O-N 3.26Å; Q155-N164 WeakPolarHBondContact CA-OD1 3.37Å; Q155-N164 WeakPolarHBondContact CB-OD1 3.3Å; Q155-N164 PolarHBondContact N-OD1 2.93Å; Q155-N164 VanDerWaalsContact N-OD1 3.11Å; Y162-N164 PolarHBondContact O-N 3.22Å
165	T	98.3	Very high	94.8	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.7	178.5	-62.6	0	0	0	0	111.3	V128 K130 Y152 A153 Y162 R163 L167	V128-T165 HydrophobicContact CG1-CG2 3.41Å; V128-T165 VanDerWaalsContact CG1-CG2 3.41Å; K130-T165 PolarHBondContact NZ-OG1 3.47Å; Y152-T165 WeakPolarHBondContact CA-O 3.12Å; A153-T165 PolarHBondContact N-O 2.83Å; A153-T165 PolarHBondContact O-N 2.8Å; Y162-T165 HydrophobicContact CD1-CG2 4.44Å; Y162-T165 WeakPolarHBondContact O-CB 3.48Å; Y162-T165 PolarHBondContact O-N 2.98Å; Y162-T165 VanDerWaalsContact O-N 3.09Å; Y162-T165 PolarHBondContact O-OG1 2.61Å; Y162-T165 VanDerWaalsContact O-OG1 3.13Å; R163-T165 PolarHBondContact O-N 2.87Å; T165-L167 HydrophobicContact CG2-CD2 4.36Å; T165-L167 HydrophobicContact CG2-CG 4.45Å
166	C	98.4	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126	168.1	-179.1	0	0	0	0	110.4	V128 S129 V131 C137 L168	V128-C166 WeakPolarHBondContact CA-O 3.45Å; S129-C166 PolarHBondContact N-O 3.45Å; S129-C166 PolarHBondContact O-N 3.24Å; V131-C166 HydrophobicContact CB-CB 4.33Å; V131-C166 HydrophobicContact CG1-CB 3.59Å; V131-C166 HydrophobicContact CG2-CB 3.75Å; C137-C166 WeakPolarHBondContact CA-SG 3.03Å; C137-C166 HydrophobicContact CB-CB 3.76Å; C137-C166 WeakPolarHBondContact CB-SG 3.44Å; C137-C166 VanDerWaalsContact SG-CA 3.54Å; C137-C166 WeakPolarHBondContact SG-CB 2.99Å; C137-C166 CovalentContact SG-SG 2.03Å; C137-C166 PolarHBondContact SG-SG 2.88Å; C166-L168 VanDerWaalsContact SG-CD2 3.56Å
167	L	98.3	Very high	94.9	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.105	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109	176.5	-63	162.6	0	0	0	108.5	V128 F150 S151 T165	V128-L167 HydrophobicContact CB-CD2 4.38Å; V128-L167 HydrophobicContact CG1-CD2 3.95Å; V128-L167 HydrophobicContact CG2-CD2 3.71Å; F150-L167 WeakPolarHBondContact CA-O 3.46Å; F150-L167 WeakPolarHBondContact CB-O 3.35Å; S151-L167 PolarHBondContact N-O 2.84Å; S151-L167 WeakPolarHBondContact O-CB 3.49Å; S151-L167 PolarHBondContact O-N 3.48Å; T165-L167 HydrophobicContact CG2-CD2 4.36Å; T165-L167 HydrophobicContact CG2-CG 4.45Å
168	L	98.3	Very high	94.7	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.3	174.1	-55	-169.7	0	0	0	110.3	F126 N127 R140 C141 N144 C147 F150 C166	F126-L168 VanDerWaalsContact CD1-O 3.26Å; F126-L168 WeakPolarHBondContact CD1-O 3.37Å; F126-L168 HydrophobicContact CE1-CB 3.88Å; F126-L168 HydrophobicContact CZ-CB 3.91Å; F126-L168 PolarHBondContact N-O 3.38Å; N127-L168 HydrophobicContact CB-CB 4.12Å; N127-L168 HydrophobicContact CB-CD1 4.17Å; N127-L168 HydrophobicContact CB-CG 4.29Å; N127-L168 PolarHBondContact O-N 2.91Å; R140-L168 HydrophobicContact CB-CD2 4.49Å; C141-L168 HydrophobicContact CB-CD2 3.79Å; N144-L168 HydrophobicContact CB-CD1 3.99Å; C147-L168 HydrophobicContact CB-CB 4.32Å; C147-L168 HydrophobicContact CB-CD1 4.5Å; F150-L168 HydrophobicContact CB-CD2 4.11Å; C166-L168 VanDerWaalsContact SG-CD2 3.56Å
169	K	97.8	Very high	94.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.1	-167	-52.5	178.1	-179	171.3	0	113	D120 M121 V124 N125 Q148 F149 S151	D120-K169 IonicContact OD1-NZ 2.58Å; D120-K169 PolarHBondContact OD1-NZ 3.35Å; M121-K169 WeakPolarHBondContact O-CD 3.45Å; M121-K169 WeakPolarHBondContact O-CE 3.46Å; M121-K169 PolarHBondContact O-NZ 2.78Å; V124-K169 VanDerWaalsContact O-CA 3.3Å; V124-K169 WeakPolarHBondContact O-CA 3.41Å; N125-K169 WeakPolarHBondContact OD1-CE 3.36Å; N125-K169 WeakPolarHBondContact OD1-CG 3.29Å; Q148-K169 PolarHBondContact N-O 3.5Å; F149-K169 HydrophobicContact CD2-CB 3.69Å; F149-K169 HydrophobicContact CD2-CD 4.03Å; F149-K169 HydrophobicContact CD2-CG 4.43Å; F149-K169 HydrophobicContact CE2-CB 3.52Å; F149-K169 HydrophobicContact CE2-CD 3.85Å; F149-K169 HydrophobicContact CE2-CG 4.32Å; F149-K169 HydrophobicContact CG-CB 4.47Å; F149-K169 HydrophobicContact CZ-CB 4.18Å; F149-K169 PolarHBondContact N-O 3.42Å; F149-K169 WeakPolarHBondContact O-CA 3.46Å; F149-K169 WeakPolarHBondContact O-CB 3.37Å; F149-K169 PolarHBondContact O-N 3.01Å; F149-K169 VanDerWaalsContact O-O 3.1Å; S151-K169 VanDerWaalsContact CB-NZ 3.28Å; S151-K169 PolarHBondContact OG-NZ 2.79Å
170	H	95.2	Very high	94.8	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.245	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	172.1	167.3	72.5	82	0	0	0	111.7	V124 F126 R146 Q148	V124-H170 PolarHBondContact N-O 3.04Å; V124-H170 PolarHBondContact O-N 2.99Å; F126-H170 AromaticContact CD1-CD2 3.49Å; F126-H170 VanDerWaalsContact CD1-CD2 3.49Å; F126-H170 WeakPolarHBondContact CD1-CD2 3.49Å; F126-H170 AromaticContact CE1-CD2 3.99Å; R146-H170 WeakPolarHBondContact O-CB 3.48Å; Q148-H170 HydrophobicContact CG-CB 4.28Å
171	S	94.8	Very high	94.7	Very high	3 Å²	3	48 Å²	48	2%	0.021	26%	0.258	C	S	.	.			trans	-154.9	159.7	-177	66.5	0	0	0	0	109.6	Q148 G173 G174 T175 S236	Q148-S171 PolarHBondContact NE2-O 3.5Å; Q148-S171 PolarHBondContact OE1-O 3.05Å; Q148-S171 PolarHBondContact OE1-OG 3.06Å; S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.43Å; S171-G174 WeakPolarHBondContact OG-CA 3.4Å; S171-G174 PolarHBondContact OG-N 3.19Å; S171-T175 VanDerWaalsContact CB-O 3.24Å; S171-T175 WeakPolarHBondContact CB-O 3.39Å; S171-T175 PolarHBondContact OG-N 2.94Å; S171-T175 PolarHBondContact OG-O 3.02Å; S171-S236 PolarHBondContact O-OG 3.17Å
172	P	86.6	Confident	94.7	Very high	112 Å²	112	43.4 Å²	43.4	73%	0.727	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.9	174.6	-24.9	35.3	0	0	0	113.8	S236	P172-S236 PolarHBondContact O-OG 3.07Å
173	G	84.9	Confident	94.8	Very high	41 Å²	41	44.4 Å²	44.4	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	4.7	-172.9	0	0	0	0	0	116.3	S171 T175	S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.43Å; G173-T175 PolarHBondContact O-N 3.36Å
174	G	90.9	Very high	94.8	Very high	14 Å²	14	43 Å²	43	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	79.5	-19	-173.9	0	0	0	0	0	115.4	S171 P235	S171-G174 WeakPolarHBondContact OG-CA 3.4Å; S171-G174 PolarHBondContact OG-N 3.19Å; G174-P235 VanDerWaalsContact CA-CB 3.46Å
175	T	94.3	Very high	94.8	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.092	24%	0.239	C	C	.	.	S	Bend	trans	-107.3	154.9	-176.6	49.8	0	0	0	0	112.9	M39 M50 S171 G173	M39-T175 HydrophobicContact CG-CG2 4.46Å; M50-T175 HydrophobicContact CE-CG2 3.52Å; M50-T175 HydrophobicContact CG-CG2 4.2Å; M50-T175 HydrophobicContact SD-CG2 3.8Å; S171-T175 VanDerWaalsContact CB-O 3.24Å; S171-T175 WeakPolarHBondContact CB-O 3.39Å; S171-T175 PolarHBondContact OG-N 2.94Å; S171-T175 PolarHBondContact OG-O 3.02Å; G173-T175 PolarHBondContact O-N 3.36Å
176	P	96.9	Very high	94.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.013	24%	0.243	C	C	.	.			trans	-56	141.2	176.7	-23.9	35.1	0	0	0	112.8	M121 R122 F149 T178 I179	M121-P176 HydrophobicContact CB-CB 3.98Å; M121-P176 HydrophobicContact CB-CG 3.61Å; M121-P176 HydrophobicContact CG-CB 4.41Å; M121-P176 HydrophobicContact CG-CG 3.74Å; M121-P176 HydrophobicContact SD-CG 3.5Å; M121-P176 VanDerWaalsContact SD-CG 3.5Å; R122-P176 CarbonylContact O-C 3.21Å; R122-P176 VanDerWaalsContact O-CA 3.22Å; R122-P176 WeakPolarHBondContact O-CA 3.09Å; R122-P176 WeakPolarHBondContact O-CB 3.22Å; F149-P176 HydrophobicContact CD2-CG 4.41Å; F149-P176 HydrophobicContact CE1-CG 4.48Å; F149-P176 HydrophobicContact CE2-CB 4.34Å; F149-P176 HydrophobicContact CE2-CG 4.27Å; F149-P176 HydrophobicContact CZ-CB 4.31Å; F149-P176 HydrophobicContact CZ-CG 4.32Å; P176-T178 VanDerWaalsContact C-N 3.3Å; P176-T178 WeakPolarHBondContact CB-O 3.47Å; P176-I179 HydrophobicContact CB-CD1 4.29Å; P176-I179 HydrophobicContact CB-CG1 3.75Å; P176-I179 HydrophobicContact CG-CD1 4.06Å; P176-I179 HydrophobicContact CG-CG1 4.03Å
177	T	95.1	Very high	94.8	Very high	80 Å²	80	41.8 Å²	41.8	49%	0.491	24%	0.243	S	C	.	.	S	Bend	trans	-72.8	-26.3	177.4	56.7	0	0	0	0	112.4	Y40 R122	Y40-T177 WeakPolarHBondContact CD2-O 3.46Å; Y40-T177 WeakPolarHBondContact CE2-O 3.43Å; R122-T177 PolarHBondContact O-N 3.42Å; R122-T177 PolarHBondContact O-OG1 2.92Å
178	T	94.3	Very high	94.7	Very high	49 Å²	49	40.9 Å²	40.9	30%	0.301	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	160.2	164.7	48	0	0	0	0	108.6	Y40 R122 P176	Y40-T178 HydrophobicContact CE2-CG2 4.23Å; R122-T178 WeakPolarHBondContact CB-O 3.3Å; R122-T178 WeakPolarHBondContact CB-OG1 3.31Å; R122-T178 WeakPolarHBondContact CG-OG1 3.17Å; R122-T178 PolarHBondContact N-O 3.19Å; P176-T178 VanDerWaalsContact C-N 3.3Å; P176-T178 WeakPolarHBondContact CB-O 3.47Å
179	I	95.9	Very high	94.6	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.1	170.1	-60.1	179.8	0	0	0	108.3	T41 P42 F75 I119 M121 P176	T41-I179 VanDerWaalsContact C-CD1 3.43Å; P42-I179 HydrophobicContact CB-CD1 4.29Å; F75-I179 HydrophobicContact CB-CB 3.93Å; F75-I179 HydrophobicContact CB-CD1 4.13Å; F75-I179 HydrophobicContact CB-CG1 4.44Å; F75-I179 HydrophobicContact CB-CG2 4.41Å; F75-I179 HydrophobicContact CD1-CG2 4.1Å; F75-I179 HydrophobicContact CD2-CB 3.68Å; F75-I179 HydrophobicContact CD2-CG2 3.56Å; F75-I179 WeakPolarHBondContact CD2-O 3.43Å; F75-I179 HydrophobicContact CE1-CG2 4.23Å; F75-I179 HydrophobicContact CE2-CB 4.3Å; F75-I179 HydrophobicContact CE2-CG2 3.7Å; F75-I179 HydrophobicContact CG-CB 3.81Å; F75-I179 HydrophobicContact CG-CD1 4.41Å; F75-I179 HydrophobicContact CG-CG2 3.77Å; F75-I179 HydrophobicContact CZ-CG2 4.04Å; I119-I179 HydrophobicContact CB-CG2 4.04Å; I119-I179 HydrophobicContact CD1-CG2 3.88Å; I119-I179 HydrophobicContact CG1-CG2 4.46Å; I119-I179 HydrophobicContact CG2-CG2 4.48Å; M121-I179 HydrophobicContact CG-CD1 4.22Å; M121-I179 HydrophobicContact CG-CG1 4.17Å; M121-I179 HydrophobicContact SD-CD1 4.42Å; P176-I179 HydrophobicContact CB-CD1 4.29Å; P176-I179 HydrophobicContact CB-CG1 3.75Å; P176-I179 HydrophobicContact CG-CD1 4.06Å; P176-I179 HydrophobicContact CG-CG1 4.03Å
180	K	93.5	Very high	94.5	Very high	120 Å²	120	41.8 Å²	41.8	52%	0.522	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.6	178.7	-63.2	-167	177.5	-171.2	0	110.5	I119 D120 L182	I119-K180 CarbonylContact C-O 3.57Å; I119-K180 VanDerWaalsContact CA-O 3.31Å; I119-K180 WeakPolarHBondContact CA-O 3.21Å; D120-K180 PolarHBondContact N-O 2.95Å; D120-K180 PolarHBondContact O-N 2.84Å; K180-L182 PolarHBondContact O-N 3.33Å
181	V	93.3	Very high	94.2	Very high	88 Å²	88	40.2 Å²	40.2	53%	0.533	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.8	166.9	-178	0	0	0	0	107.7	A65 F75 G118	A65-V181 HydrophobicContact CB-CG2 3.94Å; F75-V181 HydrophobicContact CE2-CG2 4.01Å; F75-V181 HydrophobicContact CZ-CG2 4.12Å; G118-V181 CarbonylContact O-C 3.58Å; G118-V181 WeakPolarHBondContact O-CA 3.3Å
182	L	94.5	Very high	93.8	Very high	42 Å²	42	40.6 Å²	40.6	22%	0.22	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	111.7	-177.5	-176.2	55.2	0	0	0	109.9	G118 D120 F157 K180 V185	G118-L182 CarbonylContact C-O 3.52Å; G118-L182 WeakPolarHBondContact CA-O 3.47Å; G118-L182 PolarHBondContact O-N 3.28Å; D120-L182 HydrophobicContact CB-CB 4.13Å; D120-L182 HydrophobicContact CB-CD2 4Å; F157-L182 HydrophobicContact CE2-CD1 4.48Å; F157-L182 HydrophobicContact CE2-CD2 4.11Å; F157-L182 HydrophobicContact CE2-CG 4.2Å; F157-L182 HydrophobicContact CZ-CD2 4.35Å; K180-L182 PolarHBondContact O-N 3.33Å; L182-V185 HydrophobicContact CB-CG2 4.47Å; L182-V185 HydrophobicContact CD2-CG2 3.82Å; L182-V185 HydrophobicContact CG-CG2 3.82Å
183	N	95.4	Very high	93.7	Very high	116 Å²	116	36.8 Å²	36.8	62%	0.62	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	150	-179.1	-66.8	-11.5	0	0	0	111.7	V185	N183-V185 PolarHBondContact O-N 3.33Å
184	N	96.7	Very high	93.3	Very high	76 Å²	76	35.7 Å²	35.7	41%	0.406	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.2	22.7	177.6	-54	-12.1	0	0	0	114.1	T154 T156 F157	T154-N184 WeakPolarHBondContact CB-O 3.45Å; T154-N184 WeakPolarHBondContact CG2-O 3.44Å; T154-N184 PolarHBondContact N-O 2.92Å; T154-N184 WeakPolarHBondContact OG1-CB 3.23Å; T154-N184 PolarHBondContact OG1-O 2.94Å; T156-N184 PolarHBondContact O-ND2 2.93Å; T156-N184 VanDerWaalsContact OG1-CG 3.31Å; T156-N184 PolarHBondContact OG1-ND2 3.47Å; F157-N184 HydrophobicContact CB-CB 4.47Å; F157-N184 HydrophobicContact CD2-CB 4.33Å
185	V	97.6	Very high	92.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143	168.6	-179.3	0	0	0	0	109.5	G118 D120 Y152 F157 L182 N183	G118-V185 PolarHBondContact N-O 3.28Å; D120-V185 HydrophobicContact CB-CG1 4.22Å; Y152-V185 WeakPolarHBondContact O-CA 3.19Å; F157-V185 HydrophobicContact CD2-CG2 3.59Å; F157-V185 HydrophobicContact CE2-CG2 3.28Å; F157-V185 HydrophobicContact CZ-CG2 4.22Å; L182-V185 HydrophobicContact CB-CG2 4.47Å; L182-V185 HydrophobicContact CD2-CG2 3.82Å; L182-V185 HydrophobicContact CG-CG2 3.82Å; N183-V185 PolarHBondContact O-N 3.33Å
186	E	97.9	Very high	91.5	Very high	26 Å²	26	39.1 Å²	39.1	12%	0.121	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	173.8	-55.1	-170.7	152.9	0	0	109.1	I115 Y116 K117 V134 S151 Y152 T154	I115-E186 HydrophobicContact CG2-CB 4.01Å; Y116-E186 CarbonylContact O-C 3.59Å; Y116-E186 WeakPolarHBondContact O-CA 3.45Å; K117-E186 HydrophobicContact CB-CG 4.36Å; K117-E186 WeakPolarHBondContact CD-OE1 3.49Å; K117-E186 WeakPolarHBondContact CE-OE1 3.35Å; K117-E186 HydrophobicContact CG-CG 4.04Å; K117-E186 WeakPolarHBondContact CG-OE1 3.48Å; K117-E186 IonicContact NZ-OE1 3.63Å; K117-E186 PolarHBondContact NZ-OE1 3.41Å; K117-E186 IonicContact NZ-OE2 2.67Å; V134-E186 HydrophobicContact CB-CB 4.49Å; V134-E186 WeakPolarHBondContact CB-OE2 3.25Å; V134-E186 WeakPolarHBondContact CG1-OE2 3.09Å; V134-E186 HydrophobicContact CG2-CB 3.81Å; S151-E186 CarbonylContact C-O 3.49Å; S151-E186 WeakPolarHBondContact CA-O 3.49Å; Y152-E186 PolarHBondContact N-O 3.09Å; Y152-E186 PolarHBondContact O-N 2.95Å; T154-E186 HydrophobicContact CG2-CG 4Å
187	S	98.4	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.9	-177.8	-60.4	0	0	0	0	111.6	Y116 I119 M121 F150 S151	Y116-S187 PolarHBondContact N-O 3.3Å; Y116-S187 PolarHBondContact O-N 2.83Å; I119-S187 PolarHBondContact O-OG 2.77Å; M121-S187 PolarHBondContact N-OG 2.82Å; F150-S187 VanDerWaalsContact O-CA 3.3Å; F150-S187 WeakPolarHBondContact O-CA 3.04Å; F150-S187 WeakPolarHBondContact O-CB 3.32Å; S151-S187 WeakPolarHBondContact CB-OG 3.4Å; S151-S187 PolarHBondContact OG-OG 2.78Å
188	G	96.6	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	175.8	176.8	0	0	0	0	0	113.2	M121 F149 F150	M121-G188 WeakPolarHBondContact CE-O 3.42Å; F149-G188 CarbonylContact C-O 3.2Å; F149-G188 VanDerWaalsContact CA-O 3.3Å; F149-G188 WeakPolarHBondContact CA-O 3.46Å; F149-G188 VanDerWaalsContact CB-O 3.31Å; F149-G188 WeakPolarHBondContact CB-O 3.24Å; F150-G188 WeakPolarHBondContact CD1-O 3.2Å; F150-G188 VanDerWaalsContact CE1-CA 3.46Å; F150-G188 WeakPolarHBondContact CE1-O 3.03Å; F150-G188 VanDerWaalsContact CZ-CA 3.49Å; F150-G188 PolarHBondContact N-O 2.84Å; F150-G188 PolarHBondContact O-N 3.49Å; F150-G188 VanDerWaalsContact O-N 3.14Å
189	F	96.3	Very high	89.6	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.066	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	159	177.9	-72.7	-86.8	0	0	0	112.6	P42 H46 M121 Q138 F149	P42-F189 HydrophobicContact CG-CE2 3.95Å; H46-F189 AromaticContact CE1-CD1 3.97Å; H46-F189 AromaticContact CE1-CD2 3.56Å; H46-F189 AromaticContact CE1-CE1 3.66Å; H46-F189 AromaticContact CE1-CE2 3.2Å; H46-F189 WeakPolarHBondContact CE1-CE2 3.28Å; H46-F189 AromaticContact CE1-CG 3.93Å; H46-F189 AromaticContact CE1-CZ 3.27Å; H46-F189 WeakPolarHBondContact CE1-CZ 3.47Å; H46-F189 AromaticContact ND1-CD2 3.87Å; H46-F189 AromaticContact ND1-CE2 3.53Å; H46-F189 AromaticContact ND1-CZ 4Å; H46-F189 AromaticContact NE2-CE1 3.77Å; H46-F189 AromaticContact NE2-CE2 3.71Å; H46-F189 AromaticContact NE2-CZ 3.34Å; H46-F189 VanDerWaalsContact NE2-CZ 3.34Å; H46-F189 WeakPolarHBondContact NE2-CZ 3.1Å; M121-F189 HydrophobicContact CE-CD2 4.13Å; M121-F189 HydrophobicContact CE-CE2 3.89Å; M121-F189 HydrophobicContact CE-CZ 4.21Å; M121-F189 HydrophobicContact SD-CE2 3.81Å; M121-F189 HydrophobicContact SD-CZ 3.84Å; Q138-F189 PolarHBondContact NE2-O 2.97Å; F149-F189 HydrophobicContact CB-CD1 3.79Å; F149-F189 HydrophobicContact CB-CE1 3.99Å; F149-F189 HydrophobicContact CB-CG 4.38Å; F149-F189 HydrophobicContact CD1-CE1 4.24Å; F149-F189 HydrophobicContact CG-CE1 4.43Å
190	S	95.3	Very high	88.5	Confident	10 Å²	10	41.9 Å²	41.9	7%	0.07	23%	0.225	C	C	.	.			trans	-66.6	129.7	172.2	-162.5	0	0	0	0	110.7	C141 T142 C147 Q148 K192 P193	C141-S190 PolarHBondContact O-OG 2.89Å; T142-S190 WeakPolarHBondContact CA-OG 3.04Å; C147-S190 WeakPolarHBondContact O-CB 3.37Å; C147-S190 PolarHBondContact O-OG 3.36Å; Q148-S190 WeakPolarHBondContact O-CB 3.21Å; Q148-S190 PolarHBondContact O-N 3.3Å; S190-K192 PolarHBondContact O-N 2.03Å; S190-P193 WeakPolarHBondContact O-CD 3.47Å
191	L	88.2	Confident	87.6	Confident	20 Å²	20	38 Å²	38	11%	0.105	21%	0.212	C	C	.	.	S	Bend	trans	-86.4	19.8	-177.3	-53.7	-178	0	0	0	113.6	H112 R113 Q138 T142 C194 L196	H112-L191 VanDerWaalsContact O-CD2 3.29Å; H112-L191 WeakPolarHBondContact O-CD2 3.18Å; R113-L191 HydrophobicContact CB-CD2 4.49Å; R113-L191 HydrophobicContact CG-CD2 4.23Å; Q138-L191 HydrophobicContact CG-CD1 3.95Å; Q138-L191 HydrophobicContact CG-CG 3.9Å; T142-L191 HydrophobicContact CG2-CB 3.83Å; T142-L191 WeakPolarHBondContact OG1-CB 3.43Å; T142-L191 PolarHBondContact OG1-N 3.2Å; L191-C194 HydrophobicContact CB-CB 4.19Å; L191-C194 WeakPolarHBondContact O-CA 3.42Å; L191-C194 VanDerWaalsContact O-CB 3.28Å; L191-C194 WeakPolarHBondContact O-CB 3.01Å; L191-C194 PolarHBondContact O-N 3.43Å; L191-L196 HydrophobicContact CB-CB 4.21Å; L191-L196 HydrophobicContact CB-CD1 4.15Å; L191-L196 HydrophobicContact CD1-CD1 3.92Å; L191-L196 PolarHBondContact O-N 3.23Å
192	K	87	Confident	86.8	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.048	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-55.8	-45.6	172	-57.4	175.2	-169	-54.7	0	112	T142 N144 S190 C194 A195 L282 T283	T142-K192 PolarHBondContact O-NZ 3.28Å; N144-K192 WeakPolarHBondContact O-CE 3.43Å; N144-K192 PolarHBondContact O-NZ 2.86Å; S190-K192 PolarHBondContact O-N 2.03Å; K192-C194 PolarHBondContact O-N 2.98Å; K192-C194 VanDerWaalsContact O-N 3.09Å; K192-A195 WeakPolarHBondContact O-CA 3.36Å; K192-A195 PolarHBondContact O-N 2.95Å; K192-L282 CarbonylContact C-O 3.59Å; K192-L282 HydrophobicContact CB-CD2 4.4Å; K192-L282 HydrophobicContact CB-CG 3.94Å; K192-L282 WeakPolarHBondContact CB-O 3.4Å; K192-L282 VanDerWaalsContact O-O 3.1Å; K192-T283 HydrophobicContact CD-CG2 3.97Å; K192-T283 HydrophobicContact CG-CG2 4.39Å
193	P	84	Confident	85.9	Confident	32 Å²	32	40.8 Å²	40.8	21%	0.208	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-66.9	-11.2	176.3	-15.5	30.7	0	0	0	114.2	A110 S190 A195 L282 L288	A110-P193 HydrophobicContact CB-CB 3.75Å; A110-P193 WeakPolarHBondContact O-CB 3.42Å; S190-P193 WeakPolarHBondContact O-CD 3.47Å; P193-A195 VanDerWaalsContact C-N 3.29Å; P193-L282 HydrophobicContact CB-CD1 4.26Å; P193-L282 HydrophobicContact CG-CD1 4.14Å; P193-L288 VanDerWaalsContact O-CD1 3.3Å; P193-L288 WeakPolarHBondContact O-CD1 3.35Å
194	C	77.9	Confident	85	Confident	18 Å²	18	39.9 Å²	39.9	12%	0.122	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-86.9	2.8	170.1	-55.9	0	0	0	0	113.1	C111 L191 K192 L196	C111-C194 WeakPolarHBondContact CA-SG 3.26Å; C111-C194 HydrophobicContact CB-CB 3.87Å; C111-C194 WeakPolarHBondContact CB-SG 3.46Å; C111-C194 VanDerWaalsContact SG-CA 3.57Å; C111-C194 WeakPolarHBondContact SG-CB 3.47Å; C111-C194 CovalentContact SG-SG 2.03Å; C111-C194 PolarHBondContact SG-SG 2.68Å; L191-C194 HydrophobicContact CB-CB 4.19Å; L191-C194 WeakPolarHBondContact O-CA 3.42Å; L191-C194 VanDerWaalsContact O-CB 3.28Å; L191-C194 WeakPolarHBondContact O-CB 3.01Å; L191-C194 PolarHBondContact O-N 3.43Å; K192-C194 PolarHBondContact O-N 2.98Å; K192-C194 VanDerWaalsContact O-N 3.09Å; C194-L196 HydrophobicContact CB-CD1 3.89Å; C194-L196 HydrophobicContact CB-CG 3.89Å; C194-L196 PolarHBondContact O-N 2.98Å
195	A	72.1	Confident	84.4	Confident	13 Å²	13	38.8 Å²	38.8	11%	0.107	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	30.1	-175	0	0	0	0	0	114.3	K192 P193 C284 K286 L288	K192-A195 WeakPolarHBondContact O-CA 3.36Å; K192-A195 PolarHBondContact O-N 2.95Å; P193-A195 VanDerWaalsContact C-N 3.29Å; A195-C284 WeakPolarHBondContact CA-O 3.46Å; A195-K286 VanDerWaalsContact CB-N 3.32Å; A195-K286 PolarHBondContact O-N 3.02Å; A195-L288 HydrophobicContact CB-CG 4.24Å
196	L	75.3	Confident	84	Confident	89 Å²	89	41.7 Å²	41.7	47%	0.466	22%	0.22	S	C	.	.			trans	-99.2	5.8	-178.2	-64.4	178.5	0	0	0	114	T142 L191 C194 E198	T142-L196 HydrophobicContact CG2-CB 4.47Å; L191-L196 HydrophobicContact CB-CB 4.21Å; L191-L196 HydrophobicContact CB-CD1 4.15Å; L191-L196 HydrophobicContact CD1-CD1 3.92Å; L191-L196 PolarHBondContact O-N 3.23Å; C194-L196 HydrophobicContact CB-CD1 3.89Å; C194-L196 HydrophobicContact CB-CG 3.89Å; C194-L196 PolarHBondContact O-N 2.98Å; L196-E198 PolarHBondContact O-N 2.03Å
197	S	81.6	Confident	83.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.007	25%	0.247	C	C	.	.			trans	-71.1	127.1	-178.3	-165.2	0	0	0	0	112.4	T142 I199 K285	T142-S197 PolarHBondContact O-OG 2.71Å; S197-I199 VanDerWaalsContact C-N 3.29Å; S197-I199 PolarHBondContact O-N 3.35Å; S197-I199 WeakPolarHBondContact OG-CG1 3.5Å; S197-K285 WeakPolarHBondContact O-CE 3.06Å; S197-K285 VanDerWaalsContact O-CG 3.23Å; S197-K285 WeakPolarHBondContact O-CG 3.4Å
198	E	81.9	Confident	83.4	Confident	98 Å²	98	51.3 Å²	51.3	46%	0.458	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-18.2	177.9	-68.5	175	159.2	0	0	113	K139 N143 L196 G200 K285	K139-E198 WeakPolarHBondContact CE-OE1 3.37Å; K139-E198 WeakPolarHBondContact CE-OE2 3.5Å; K139-E198 VanDerWaalsContact NZ-CD 3.34Å; K139-E198 IonicContact NZ-OE1 3.11Å; K139-E198 PolarHBondContact NZ-OE1 3.15Å; K139-E198 IonicContact NZ-OE2 2.96Å; K139-E198 PolarHBondContact NZ-OE2 3.26Å; N143-E198 PolarHBondContact ND2-OE2 3.32Å; N143-E198 WeakPolarHBondContact OD1-CB 3.36Å; N143-E198 PolarHBondContact OD1-N 3.35Å; L196-E198 PolarHBondContact O-N 2.03Å; E198-G200 VanDerWaalsContact C-N 3.28Å; E198-G200 PolarHBondContact O-N 3.18Å; E198-K285 VanDerWaalsContact CA-CE 3.5Å; E198-K285 WeakPolarHBondContact O-CE 3.38Å; E198-K285 PolarHBondContact O-NZ 2.9Å
199	I	82.4	Confident	83.3	Confident	80 Å²	80	52.8 Å²	52.8	41%	0.41	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40.6	179.1	-53.2	172	0	0	0	111.8	N143 I145 S197 T283	N143-I199 WeakPolarHBondContact O-CD1 3.36Å; N143-I199 WeakPolarHBondContact O-CG1 3.42Å; I145-I199 HydrophobicContact CB-CD1 4.41Å; I145-I199 HydrophobicContact CD1-CD1 4.46Å; S197-I199 VanDerWaalsContact C-N 3.29Å; S197-I199 PolarHBondContact O-N 3.35Å; S197-I199 WeakPolarHBondContact OG-CG1 3.5Å; I199-T283 HydrophobicContact CD1-CG2 3.96Å
200	G	72.4	Confident	83.3	Confident	19 Å²	19	52.3 Å²	52.3	20%	0.196	27%	0.271	C	S	.	.			trans	76.7	-172.2	-164.8	0	0	0	0	0	112	E198 T283	E198-G200 VanDerWaalsContact C-N 3.28Å; E198-G200 PolarHBondContact O-N 3.18Å; G200-T283 CarbonylContact C-O 3.56Å; G200-T283 WeakPolarHBondContact O-CB 3.27Å; G200-T283 PolarHBondContact O-OG1 2.9Å
201	C	75.3	Confident	83.3	Confident	38 Å²	38	52.3 Å²	52.3	26%	0.257	27%	0.27	S	S	.	.			trans	-145.7	150.5	-175.5	62.9	0	0	0	0	112.3	M203 C284	C201-M203 PolarHBondContact O-N 3.35Å; C201-C284 HydrophobicContact CB-CB 3.95Å; C201-C284 WeakPolarHBondContact CB-SG 3.26Å; C201-C284 WeakPolarHBondContact SG-CA 3.34Å; C201-C284 WeakPolarHBondContact SG-CB 3.13Å; C201-C284 CovalentContact SG-SG 2.03Å; C201-C284 PolarHBondContact SG-SG 3.01Å
202	H	76.7	Confident	83.3	Confident	106 Å²	106	53.8 Å²	53.8	49%	0.491	28%	0.282	S	S	.	.			trans	-88.7	103.5	174.8	-61.3	-69.9	0	0	0	109.7	N204 Y279	H202-N204 PolarHBondContact O-N 3.27Å; H202-Y279 HydrophobicContact CB-CD2 3.44Å; H202-Y279 VanDerWaalsContact CB-CD2 3.44Å; H202-Y279 HydrophobicContact CB-CE2 3.99Å; H202-Y279 HydrophobicContact CB-CG 3.78Å
203	M	75	Confident	83.7	Confident	83 Å²	83	55 Å²	55	41%	0.409	29%	0.289	S	S	.	.			trans	-74.1	-15.1	178.4	-65.8	-62	-67.6	0	0	113.2	C201 R228 L281	C201-M203 PolarHBondContact O-N 3.35Å; M203-R228 PolarHBondContact O-NH1 2.94Å; M203-L281 HydrophobicContact CE-CD1 4.11Å; M203-L281 HydrophobicContact SD-CD1 4.02Å; M203-L281 HydrophobicContact SD-CD2 3.65Å; M203-L281 HydrophobicContact SD-CG 4.46Å
204	N	76.1	Confident	84.2	Confident	97 Å²	97	58 Å²	58	52%	0.519	31%	0.306	S	S	.	.			trans	-57.3	137.4	-177.3	-60.1	54.2	0	0	0	111.9	H202 F206	H202-N204 PolarHBondContact O-N 3.27Å; N204-F206 HydrophobicContact CB-CE1 4.26Å; N204-F206 HydrophobicContact CB-CE2 3.75Å; N204-F206 HydrophobicContact CB-CZ 3.58Å
205	I	84.6	Confident	85	Confident	53 Å²	53	60.9 Å²	60.9	27%	0.272	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.8	169.6	-65.9	179.8	0	0	0	106	F225 T276	I205-F225 HydrophobicContact CD1-CD1 3.92Å; I205-F225 HydrophobicContact CD1-CE1 3.53Å; I205-F225 HydrophobicContact CD1-CZ 4.14Å; I205-T276 HydrophobicContact CG2-CG2 3.17Å
206	F	88.3	Confident	86.1	Confident	67 Å²	67	62.7 Å²	62.7	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.7	-174.8	-54	-93	0	0	0	108.5	N204 L209 F211 T276 S277 Y279	N204-F206 HydrophobicContact CB-CE1 4.26Å; N204-F206 HydrophobicContact CB-CE2 3.75Å; N204-F206 HydrophobicContact CB-CZ 3.58Å; F206-L209 HydrophobicContact CB-CB 3.91Å; F206-L209 HydrophobicContact CB-CD2 3.58Å; F206-L209 HydrophobicContact CB-CG 4.38Å; F206-L209 HydrophobicContact CD1-CD2 4.07Å; F206-L209 HydrophobicContact CG-CD2 3.86Å; F206-F211 AromaticContact CD2-CZ 3.94Å; F206-F211 HydrophobicContact CD2-CZ 3.94Å; F206-F211 HydrophobicContact CE2-CZ 4.13Å; F206-T276 CarbonylContact O-C 3.58Å; F206-T276 VanDerWaalsContact O-CA 3.27Å; F206-T276 WeakPolarHBondContact O-CA 3.34Å; F206-S277 PolarHBondContact N-O 3.17Å; F206-S277 PolarHBondContact O-N 2.78Å; F206-Y279 HydrophobicContact CE2-CD2 4.13Å; F206-Y279 AromaticContact CE2-CE2 3.7Å; F206-Y279 HydrophobicContact CE2-CE2 3.7Å; F206-Y279 HydrophobicContact CZ-CE2 4.22Å
207	Q	92.6	Very high	87.1	Confident	146 Å²	146	59.7 Å²	59.7	68%	0.682	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	150	174.9	-62.3	-179.3	-39.5	0	0	110.2	L209	Q207-L209 PolarHBondContact O-N 2.8Å
208	H	92.6	Very high	87.7	Confident	82 Å²	82	66.6 Å²	66.6	38%	0.38	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.8	34.6	179.8	-45.7	-94	0	0	0	112.9	P271 Q272 E273 T275	H208-P271 CarbonylContact O-C 3.54Å; H208-P271 WeakPolarHBondContact O-CA 3.47Å; H208-Q272 CarbonylContact C-O 3.54Å; H208-Q272 VanDerWaalsContact CA-O 3.25Å; H208-Q272 WeakPolarHBondContact CA-O 3.43Å; H208-Q272 PolarHBondContact O-N 2.81Å; H208-E273 IonicContact CE1-OE2 3.24Å; H208-E273 PolarHBondContact CE1-OE2 3.35Å; H208-E273 VanDerWaalsContact CE1-OE2 3.3Å; H208-E273 IonicContact CG-OE2 3.71Å; H208-E273 VanDerWaalsContact ND1-CD 3.31Å; H208-E273 IonicContact ND1-OE1 3.5Å; H208-E273 PolarHBondContact ND1-OE1 3.01Å; H208-E273 IonicContact ND1-OE2 2.71Å; H208-E273 PolarHBondContact ND1-OE2 3.17Å; H208-T275 WeakPolarHBondContact CA-O 3.37Å; H208-T275 PolarHBondContact N-O 2.78Å
209	L	93.9	Very high	88.5	Confident	31 Å²	31	62.7 Å²	62.7	16%	0.162	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.7	-177.3	-166.4	79.2	0	0	0	110.5	F206 Q207 F211 T270 T275 S277	F206-L209 HydrophobicContact CB-CB 3.91Å; F206-L209 HydrophobicContact CB-CD2 3.58Å; F206-L209 HydrophobicContact CB-CG 4.38Å; F206-L209 HydrophobicContact CD1-CD2 4.07Å; F206-L209 HydrophobicContact CG-CD2 3.86Å; Q207-L209 PolarHBondContact O-N 2.8Å; L209-F211 HydrophobicContact CD2-CE1 3.98Å; L209-T270 WeakPolarHBondContact CA-O 3.48Å; L209-T275 PolarHBondContact N-OG1 2.87Å; L209-T275 VanDerWaalsContact N-OG1 3.17Å; L209-T275 PolarHBondContact O-OG1 3.03Å; L209-S277 VanDerWaalsContact O-CB 3.28Å; L209-S277 WeakPolarHBondContact O-CB 3.48Å; L209-S277 PolarHBondContact O-N 2.66Å; L209-S277 PolarHBondContact O-OG 3.26Å
210	A	95.4	Very high	89.2	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.033	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.4	173.3	0	0	0	0	0	111	T241 S269 T270 Q272 S277	A210-T241 HydrophobicContact CB-CG2 3.88Å; A210-S269 CarbonylContact O-C 3.59Å; A210-S269 VanDerWaalsContact O-CA 3.28Å; A210-S269 WeakPolarHBondContact O-CA 3.34Å; A210-T270 PolarHBondContact N-O 3.35Å; A210-T270 PolarHBondContact O-N 2.94Å; A210-Q272 HydrophobicContact CB-CB 3.97Å; A210-Q272 HydrophobicContact CB-CG 4.47Å; A210-S277 WeakPolarHBondContact CA-OG 3.35Å
211	F	96.2	Very high	90.4	Very high	11 Å²	11	59.3 Å²	59.3	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.5	169.8	-65.7	-33.1	0	0	0	109.9	F206 L209 F239 T241 K259 P266 S277 Y279	F206-F211 AromaticContact CD2-CZ 3.94Å; F206-F211 HydrophobicContact CD2-CZ 3.94Å; F206-F211 HydrophobicContact CE2-CZ 4.13Å; L209-F211 HydrophobicContact CD2-CE1 3.98Å; F211-F239 HydrophobicContact CB-CD2 4.18Å; F211-F239 HydrophobicContact CB-CE2 4.38Å; F211-F239 HydrophobicContact CD2-CB 4.06Å; F211-F239 AromaticContact CD2-CD2 3.81Å; F211-F239 HydrophobicContact CD2-CD2 3.81Å; F211-F239 HydrophobicContact CD2-CG 4.24Å; F211-F239 HydrophobicContact CE2-CB 4.17Å; F211-F239 HydrophobicContact CG-CD2 4.35Å; F211-T241 PolarHBondContact N-OG1 3.12Å; F211-K259 HydrophobicContact CB-CD 4.44Å; F211-K259 WeakPolarHBondContact O-CD 3.42Å; F211-K259 WeakPolarHBondContact O-CE 3.37Å; F211-P266 HydrophobicContact CB-CB 4.18Å; F211-P266 HydrophobicContact CB-CG 4.35Å; F211-P266 HydrophobicContact CD1-CB 3.73Å; F211-P266 HydrophobicContact CD1-CG 3.78Å; F211-P266 HydrophobicContact CD2-CB 4.34Å; F211-P266 HydrophobicContact CD2-CG 3.65Å; F211-P266 HydrophobicContact CE1-CB 4.17Å; F211-P266 HydrophobicContact CE1-CG 3.9Å; F211-P266 HydrophobicContact CE2-CG 3.75Å; F211-P266 HydrophobicContact CG-CB 3.84Å; F211-P266 HydrophobicContact CG-CG 3.68Å; F211-P266 HydrophobicContact CZ-CG 3.89Å; F211-S277 PolarHBondContact N-OG 3.29Å; F211-Y279 HydrophobicContact CE2-CE2 4.27Å; F211-Y279 HydrophobicContact CZ-CE2 4.03Å
212	S	89.2	Confident	91.4	Very high	50 Å²	50	58 Å²	58	35%	0.35	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.7	178.4	-62.1	0	0	0	0	110	S268	S212-S268 WeakPolarHBondContact CB-OG 3.4Å; S212-S268 PolarHBondContact N-O 3.08Å
213	D	93.9	Very high	92.2	Very high	37 Å²	37	53.9 Å²	53.9	20%	0.198	28%	0.278	C	S	.	.	S	Bend	trans	-176.3	179.8	179.5	-93.7	-49.5	0	0	0	109.9	D215 F239 K259 S261 P266 S267	D213-D215 PolarHBondContact O-N 3.09Å; D213-F239 HydrophobicContact CB-CE2 3.82Å; D213-F239 HydrophobicContact CB-CZ 3.92Å; D213-F239 VanDerWaalsContact OD2-CZ 3.27Å; D213-F239 WeakPolarHBondContact OD2-CZ 3.45Å; D213-K259 PolarHBondContact O-NZ 3.02Å; D213-K259 VanDerWaalsContact O-NZ 3.11Å; D213-S261 WeakPolarHBondContact OD1-CB 3.22Å; D213-P266 VanDerWaalsContact OD2-CA 3.23Å; D213-P266 WeakPolarHBondContact OD2-CA 3.04Å; D213-S267 WeakPolarHBondContact OD1-CB 3.42Å; D213-S267 PolarHBondContact OD1-OG 3.42Å; D213-S267 PolarHBondContact OD2-N 2.89Å; D213-S267 PolarHBondContact OD2-OG 3.01Å
214	V	94.7	Very high	93.1	Very high	95 Å²	95	50.4 Å²	50.4	58%	0.576	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	120.9	-178.6	-176.9	0	0	0	0	112	K259 T260	V214-K259 VanDerWaalsContact O-CA 3.27Å; V214-K259 WeakPolarHBondContact O-CA 3.37Å; V214-T260 HydrophobicContact CB-CG2 4.34Å; V214-T260 PolarHBondContact N-O 2.94Å; V214-T260 PolarHBondContact O-N 3.13Å
215	D	95.6	Very high	93.7	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.5	169.2	-75	-51.5	0	0	0	111	D213 F257 L258 K259	D213-D215 PolarHBondContact O-N 3.09Å; D215-F257 WeakPolarHBondContact OD1-CB 3.49Å; D215-L258 CarbonylContact C-O 3.49Å; D215-L258 WeakPolarHBondContact CA-O 3.2Å; D215-K259 WeakPolarHBondContact OD1-CE 3.41Å; D215-K259 VanDerWaalsContact OD1-CG 3.26Å; D215-K259 WeakPolarHBondContact OD1-CG 3.48Å; D215-K259 IonicContact OD1-NZ 3.73Å; D215-K259 PolarHBondContact OD1-NZ 3.43Å; D215-K259 IonicContact OD2-NZ 3.61Å; D215-K259 PolarHBondContact OD2-NZ 2.82Å
216	V	94.7	Very high	94.2	Very high	50 Å²	50	49 Å²	49	30%	0.303	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-22.8	175.6	-59.9	0	0	0	0	112.8	C237 L258 T260	V216-C237 HydrophobicContact CG2-CB 4.47Å; V216-L258 HydrophobicContact CG2-CB 3.91Å; V216-L258 WeakPolarHBondContact CG2-O 3.41Å; V216-L258 PolarHBondContact N-O 3.02Å; V216-T260 HydrophobicContact CG1-CG2 3.45Å; V216-T260 VanDerWaalsContact CG1-CG2 3.45Å
217	A	95.1	Very high	94.6	Very high	26 Å²	26	45.8 Å²	45.8	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	156.3	175.6	0	0	0	0	0	111.7	L258	A217-L258 HydrophobicContact CB-CB 4.11Å; A217-L258 HydrophobicContact CB-CD1 3.9Å; A217-L258 HydrophobicContact CB-CG 4.2Å; A217-L258 PolarHBondContact N-O 3.3Å; A217-L258 PolarHBondContact O-N 2.96Å
218	R	96.1	Very high	94.7	Very high	146 Å²	146	40.4 Å²	40.4	55%	0.551	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.4	177.5	-179.3	-175.9	171.9	-104.5	1.5	109.1	S251 V255 F257	R218-S251 PolarHBondContact NH2-O 3.15Å; R218-V255 HydrophobicContact CG-CG1 3.55Å; R218-F257 HydrophobicContact CG-CE1 4.37Å
219	V	96.8	Very high	94.6	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	167.1	178.9	-54.8	0	0	0	0	110.5	I230 C256 D354	V219-I230 HydrophobicContact CG2-CD1 3.93Å; V219-I230 HydrophobicContact CG2-CG2 4.28Å; V219-C256 HydrophobicContact CG2-CB 3.69Å; V219-C256 PolarHBondContact N-O 3.02Å; V219-C256 VanDerWaalsContact N-O 3.08Å; V219-C256 PolarHBondContact O-N 3.32Å; V219-D354 WeakPolarHBondContact CG1-OD2 3.4Å
220	L	97.6	Very high	94.7	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.147	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135	168.4	-58.9	-173.7	0	0	0	111	N254 V255 S356 P357 T358 I360	L220-N254 WeakPolarHBondContact CA-O 3.38Å; L220-V255 HydrophobicContact CD2-CB 4.48Å; L220-V255 HydrophobicContact CD2-CG2 3.75Å; L220-S356 WeakPolarHBondContact O-CB 3.44Å; L220-P357 WeakPolarHBondContact CB-O 3.46Å; L220-T358 WeakPolarHBondContact CD1-O 3.44Å; L220-I360 HydrophobicContact CB-CD1 4.01Å; L220-I360 HydrophobicContact CB-CG1 4.29Å; L220-I360 HydrophobicContact CD1-CG1 4.45Å
221	A	97.3	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.			trans	-131.9	137.8	176.5	0	0	0	0	0	109.9	D223 V226 C227 F242 N254 C256	A221-D223 VanDerWaalsContact C-N 3.26Å; A221-D223 PolarHBondContact O-N 3.27Å; A221-V226 HydrophobicContact CB-CB 4.12Å; A221-V226 HydrophobicContact CB-CG1 3.89Å; A221-C227 HydrophobicContact CB-CB 3.94Å; A221-F242 HydrophobicContact CB-CD2 4.44Å; A221-F242 HydrophobicContact CB-CE2 4.11Å; A221-F242 WeakPolarHBondContact O-CE2 3.19Å; A221-F242 WeakPolarHBondContact O-CZ 3.42Å; A221-N254 PolarHBondContact N-O 3.23Å; A221-N254 WeakPolarHBondContact O-CB 3.15Å; A221-C256 HydrophobicContact CB-CB 4.02Å
222	P	96.3	Very high	94.5	Very high	10 Å²	10	37 Å²	37	7%	0.065	19%	0.194	C	C	.	.	S	Bend	trans	-73.1	-18.3	179.7	32.1	-39.9	0	0	0	113.4	V226 Y297 F302 I360 Y362 Y370	P222-V226 HydrophobicContact CG-CB 4.43Å; P222-V226 HydrophobicContact CG-CG2 3.95Å; P222-Y297 HydrophobicContact CB-CD1 3.74Å; P222-Y297 HydrophobicContact CB-CD2 4.41Å; P222-Y297 HydrophobicContact CB-CE1 3.53Å; P222-Y297 HydrophobicContact CB-CE2 4.25Å; P222-Y297 HydrophobicContact CB-CG 4.18Å; P222-Y297 HydrophobicContact CG-CD1 4.18Å; P222-Y297 HydrophobicContact CG-CD2 4.23Å; P222-Y297 HydrophobicContact CG-CE1 3.59Å; P222-Y297 HydrophobicContact CG-CE2 3.66Å; P222-Y297 HydrophobicContact CG-CG 4.48Å; P222-F302 HydrophobicContact CB-CE1 3.93Å; P222-F302 HydrophobicContact CB-CZ 3.79Å; P222-F302 HydrophobicContact CG-CE1 4.38Å; P222-F302 HydrophobicContact CG-CZ 3.79Å; P222-I360 HydrophobicContact CB-CD1 4.22Å; P222-Y362 PolarHBondContact O-OH 2.89Å; P222-Y370 VanDerWaalsContact CD-OH 3.29Å; P222-Y370 WeakPolarHBondContact CD-OH 3.43Å; P222-Y370 HydrophobicContact CG-CE2 4.07Å
223	D	94.8	Very high	94.6	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	-155	170.3	169.4	67.4	42.8	0	0	0	112.8	A221 F225 V226 C227 K295 Y297	A221-D223 VanDerWaalsContact C-N 3.26Å; A221-D223 PolarHBondContact O-N 3.27Å; D223-F225 PolarHBondContact O-N 3.38Å; D223-F225 WeakPolarHBondContact OD1-CA 3.39Å; D223-F225 VanDerWaalsContact OD1-CB 3.32Å; D223-F225 WeakPolarHBondContact OD1-CB 3.34Å; D223-F225 PolarHBondContact OD1-N 2.67Å; D223-V226 PolarHBondContact O-N 2.91Å; D223-V226 PolarHBondContact OD1-N 3.48Å; D223-C227 PolarHBondContact O-N 3.02Å; D223-C227 VanDerWaalsContact O-N 3.13Å; D223-K295 IonicContact OD2-NZ 2.8Å; D223-K295 PolarHBondContact OD2-NZ 2.92Å; D223-Y297 PolarHBondContact OD2-OH 3Å
224	A	93.5	Very high	94.6	Very high	9 Å²	9	38.4 Å²	38.4	7%	0.074	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-19.9	-179.5	0	0	0	0	0	114.2	R228 F240 F242 T276	A224-R228 WeakPolarHBondContact O-CB 3.32Å; A224-R228 PolarHBondContact O-N 3.23Å; A224-F240 HydrophobicContact CB-CE2 4.32Å; A224-F242 HydrophobicContact CB-CB 4.25Å; A224-F242 HydrophobicContact CB-CD1 3.82Å; A224-F242 HydrophobicContact CB-CG 4.2Å; A224-T276 HydrophobicContact CB-CG2 3.54Å
225	F	89.4	Confident	94.4	Very high	120 Å²	120	36.9 Å²	36.9	53%	0.526	18%	0.183	S	C	.	.	H	α-helix	trans	-77.1	-40	177.4	-60.1	-81.3	0	0	0	110.9	I205 D223 R228 T229	I205-F225 HydrophobicContact CD1-CD1 3.92Å; I205-F225 HydrophobicContact CD1-CE1 3.53Å; I205-F225 HydrophobicContact CD1-CZ 4.14Å; D223-F225 PolarHBondContact O-N 3.38Å; D223-F225 WeakPolarHBondContact OD1-CA 3.39Å; D223-F225 VanDerWaalsContact OD1-CB 3.32Å; D223-F225 WeakPolarHBondContact OD1-CB 3.34Å; D223-F225 PolarHBondContact OD1-N 2.67Å; F225-R228 PolarHBondContact O-N 3.06Å; F225-T229 PolarHBondContact O-N 2.84Å; F225-T229 VanDerWaalsContact O-N 3.07Å; F225-T229 PolarHBondContact O-OG1 3.3Å
226	V	94.2	Very high	94.2	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-49.9	168.6	174.2	0	0	0	0	110	A221 P222 D223 R228 T229 I230 Y297 Y370	A221-V226 HydrophobicContact CB-CB 4.12Å; A221-V226 HydrophobicContact CB-CG1 3.89Å; P222-V226 HydrophobicContact CG-CB 4.43Å; P222-V226 HydrophobicContact CG-CG2 3.95Å; D223-V226 PolarHBondContact O-N 2.91Å; D223-V226 PolarHBondContact OD1-N 3.48Å; V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.02Å; V226-T229 PolarHBondContact O-N 2.86Å; V226-T229 VanDerWaalsContact O-N 3.09Å; V226-I230 HydrophobicContact CG1-CD1 3.81Å; V226-I230 HydrophobicContact CG1-CG1 4.36Å; V226-I230 WeakPolarHBondContact O-CG1 3.02Å; V226-I230 PolarHBondContact O-N 2.88Å; V226-Y297 VanDerWaalsContact CG2-OH 3.3Å; V226-Y297 WeakPolarHBondContact CG2-OH 3.42Å; V226-Y370 HydrophobicContact CG1-CE2 4.43Å; V226-Y370 HydrophobicContact CG2-CE2 4.4Å
227	C	96.6	Very high	94.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.9	-44.6	177.3	-176.4	0	0	0	0	112.8	A221 D223 T229 I230 C231 F240 F242 C256	A221-C227 HydrophobicContact CB-CB 3.94Å; D223-C227 PolarHBondContact O-N 3.02Å; D223-C227 VanDerWaalsContact O-N 3.13Å; C227-T229 PolarHBondContact O-N 3.33Å; C227-I230 PolarHBondContact O-N 2.73Å; C227-C231 PolarHBondContact O-N 3.44Å; C227-F240 HydrophobicContact CB-CD2 4.18Å; C227-F240 HydrophobicContact CB-CE2 4.29Å; C227-F240 WeakPolarHBondContact SG-CD2 3.27Å; C227-F242 HydrophobicContact CB-CB 4.32Å; C227-F242 HydrophobicContact CB-CD2 4.16Å; C227-F242 HydrophobicContact CB-CG 4.45Å; C227-C256 WeakPolarHBondContact CA-SG 3.3Å; C227-C256 HydrophobicContact CB-CB 3.72Å; C227-C256 WeakPolarHBondContact CB-SG 3.43Å; C227-C256 VanDerWaalsContact SG-CA 3.57Å; C227-C256 WeakPolarHBondContact SG-CB 3.43Å; C227-C256 CovalentContact SG-SG 2.02Å; C227-C256 PolarHBondContact SG-SG 3.09Å
228	R	94.4	Very high	94.3	Very high	33 Å²	33	31.9 Å²	31.9	13%	0.125	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-40.9	175.8	-173.4	170.4	68.5	176.2	2.3	113.3	M203 A224 F225 V226 C231 T232 F240 Y279 L281	M203-R228 PolarHBondContact O-NH1 2.94Å; A224-R228 WeakPolarHBondContact O-CB 3.32Å; A224-R228 PolarHBondContact O-N 3.23Å; F225-R228 PolarHBondContact O-N 3.06Å; V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.02Å; R228-C231 PolarHBondContact O-N 3.05Å; R228-T232 WeakPolarHBondContact O-CB 3.44Å; R228-T232 PolarHBondContact O-N 2.72Å; R228-T232 PolarHBondContact O-OG1 3.09Å; R228-F240 HydrophobicContact CB-CD1 4.2Å; R228-F240 HydrophobicContact CB-CE1 3.44Å; R228-F240 VanDerWaalsContact CB-CE1 3.44Å; R228-F240 HydrophobicContact CB-CZ 3.76Å; R228-F240 HydrophobicContact CG-CD1 4.38Å; R228-F240 HydrophobicContact CG-CE1 3.63Å; R228-F240 HydrophobicContact CG-CZ 4.34Å; R228-Y279 WeakPolarHBondContact CG-O 3.19Å; R228-L281 HydrophobicContact CG-CG 4.21Å
229	T	91.3	Very high	94.3	Very high	16 Å²	16	24.9 Å²	24.9	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-69.9	-40.2	179.3	-61.4	0	0	0	0	111.1	F225 V226 C227 C231 T232 Y233 E290 H293	F225-T229 PolarHBondContact O-N 2.84Å; F225-T229 VanDerWaalsContact O-N 3.07Å; F225-T229 PolarHBondContact O-OG1 3.3Å; V226-T229 PolarHBondContact O-N 2.86Å; V226-T229 VanDerWaalsContact O-N 3.09Å; C227-T229 PolarHBondContact O-N 3.33Å; T229-C231 VanDerWaalsContact C-N 3.34Å; T229-C231 PolarHBondContact O-N 3.16Å; T229-T232 WeakPolarHBondContact O-CB 3.41Å; T229-T232 PolarHBondContact O-N 3.37Å; T229-T232 VanDerWaalsContact O-N 3.09Å; T229-Y233 HydrophobicContact CG2-CD2 4.08Å; T229-Y233 HydrophobicContact CG2-CE2 4.28Å; T229-Y233 PolarHBondContact O-N 2.68Å; T229-Y233 VanDerWaalsContact O-N 3.14Å; T229-E290 WeakPolarHBondContact CG2-O 3.49Å; T229-H293 VanDerWaalsContact CB-CE1 3.42Å; T229-H293 WeakPolarHBondContact CB-CE1 3.25Å
230	I	95.4	Very high	94.3	Very high	39 Å²	39	24.1 Å²	24.1	20%	0.2	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-47.4	172.2	-60.8	169.7	0	0	0	109.8	V219 V226 C227 T232 Y233 H234 L258	V219-I230 HydrophobicContact CG2-CD1 3.93Å; V219-I230 HydrophobicContact CG2-CG2 4.28Å; V226-I230 HydrophobicContact CG1-CD1 3.81Å; V226-I230 HydrophobicContact CG1-CG1 4.36Å; V226-I230 WeakPolarHBondContact O-CG1 3.02Å; V226-I230 PolarHBondContact O-N 2.88Å; C227-I230 PolarHBondContact O-N 2.73Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 3.41Å; I230-Y233 PolarHBondContact O-N 2.9Å; I230-H234 VanDerWaalsContact O-CB 3.28Å; I230-H234 WeakPolarHBondContact O-CB 3.14Å; I230-H234 PolarHBondContact O-N 2.89Å; I230-L258 HydrophobicContact CG2-CD1 3.88Å; I230-L258 HydrophobicContact CG2-CD2 4.5Å
231	C	95.9	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.4	-40.9	173.1	-174.8	0	0	0	0	112.7	C227 R228 T229 Y233 H234 C237 F240 L258	C227-C231 PolarHBondContact O-N 3.44Å; R228-C231 PolarHBondContact O-N 3.05Å; T229-C231 VanDerWaalsContact C-N 3.34Å; T229-C231 PolarHBondContact O-N 3.16Å; C231-Y233 VanDerWaalsContact C-N 3.28Å; C231-Y233 PolarHBondContact O-N 2.72Å; C231-H234 PolarHBondContact O-N 2.9Å; C231-C237 VanDerWaalsContact CA-SG 3.51Å; C231-C237 HydrophobicContact CB-CB 3.98Å; C231-C237 WeakPolarHBondContact CB-SG 3.48Å; C231-C237 WeakPolarHBondContact O-CB 3.28Å; C231-C237 WeakPolarHBondContact SG-CB 3.49Å; C231-C237 CovalentContact SG-SG 2.04Å; C231-C237 PolarHBondContact SG-SG 2.83Å; C231-F240 HydrophobicContact CB-CB 4.29Å; C231-F240 HydrophobicContact CB-CD1 4.3Å; C231-L258 HydrophobicContact CB-CD2 3.82Å
232	T	92.3	Very high	94.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-34.5	-178.1	-61.2	0	0	0	0	113	R228 T229 I230 S280 L281 L282 P289	R228-T232 WeakPolarHBondContact O-CB 3.44Å; R228-T232 PolarHBondContact O-N 2.72Å; R228-T232 PolarHBondContact O-OG1 3.09Å; T229-T232 WeakPolarHBondContact O-CB 3.41Å; T229-T232 PolarHBondContact O-N 3.37Å; T229-T232 VanDerWaalsContact O-N 3.09Å; I230-T232 VanDerWaalsContact C-N 3.29Å; I230-T232 PolarHBondContact O-N 3.41Å; T232-S280 WeakPolarHBondContact CA-OG 3.01Å; T232-L281 HydrophobicContact CG2-CB 4Å; T232-L281 PolarHBondContact OG1-N 3.07Å; T232-L282 HydrophobicContact CG2-CB 4.31Å; T232-P289 HydrophobicContact CG2-CG 3.81Å
233	Y	91.9	Very high	94.5	Very high	64 Å²	64	24.6 Å²	24.6	25%	0.251	12%	0.121	S	C	.	.	H	α-helix	trans	-100.7	-3.5	179.4	-73.3	-79.6	0	0	0	114.1	F53 A110 T229 I230 C231 P289 P291	F53-Y233 HydrophobicContact CD1-CD1 4.15Å; F53-Y233 AromaticContact CE1-CD1 3.89Å; F53-Y233 HydrophobicContact CE1-CD1 3.89Å; F53-Y233 AromaticContact CE1-CE1 3.88Å; F53-Y233 HydrophobicContact CE1-CE1 3.88Å; A110-Y233 HydrophobicContact CB-CE1 4.4Å; T229-Y233 HydrophobicContact CG2-CD2 4.08Å; T229-Y233 HydrophobicContact CG2-CE2 4.28Å; T229-Y233 PolarHBondContact O-N 2.68Å; T229-Y233 VanDerWaalsContact O-N 3.14Å; I230-Y233 PolarHBondContact O-N 2.9Å; C231-Y233 VanDerWaalsContact C-N 3.28Å; C231-Y233 PolarHBondContact O-N 2.72Å; Y233-P289 HydrophobicContact CE2-CG 4.48Å; Y233-P289 WeakPolarHBondContact CE2-O 3.49Å; Y233-P289 PolarHBondContact OH-O 3.37Å; Y233-P291 HydrophobicContact CD1-CB 4.39Å; Y233-P291 HydrophobicContact CD2-CB 3.97Å; Y233-P291 HydrophobicContact CE1-CB 4.12Å; Y233-P291 HydrophobicContact CE2-CB 3.66Å; Y233-P291 HydrophobicContact CG-CB 4.33Å
234	H	93.6	Very high	94.5	Very high	54 Å²	54	24.9 Å²	24.9	25%	0.25	12%	0.123	C	C	.	.	S	Bend	trans	-82.9	118.4	174.2	-173	-88.6	0	0	0	110.5	I230 C231 S236 C237 L258	I230-H234 VanDerWaalsContact O-CB 3.28Å; I230-H234 WeakPolarHBondContact O-CB 3.14Å; I230-H234 PolarHBondContact O-N 2.89Å; C231-H234 PolarHBondContact O-N 2.9Å; H234-S236 PolarHBondContact O-N 3.06Å; H234-C237 HydrophobicContact CB-CB 3.88Å; H234-C237 PolarHBondContact O-N 3.22Å; H234-L258 HydrophobicContact CB-CD1 3.84Å
235	P	90.5	Very high	94.4	Very high	62 Å²	62	27.8 Å²	27.8	40%	0.403	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.1	-165.6	-27.8	34.5	0	0	0	116.9	Q148 G174	Q148-P235 PolarHBondContact NE2-O 3.04Å; G174-P235 VanDerWaalsContact CA-CB 3.46Å
236	S	91.6	Very high	94.5	Very high	20 Å²	20	24.6 Å²	24.6	14%	0.14	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	5.3	-178.6	-62	0	0	0	0	113.7	S171 P172 H234 T260	S171-S236 PolarHBondContact O-OG 3.17Å; P172-S236 PolarHBondContact O-OG 3.07Å; H234-S236 PolarHBondContact O-N 3.06Å; S236-T260 VanDerWaalsContact O-CB 3.31Å; S236-T260 WeakPolarHBondContact O-CB 3.49Å; S236-T260 PolarHBondContact O-OG1 2.99Å
237	C	95.5	Very high	94.4	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.027	14%	0.14	C	C	.	.			trans	-92.9	123.6	178.5	-169.6	0	0	0	0	111.5	V216 C231 H234 F239 L258 S280	V216-C237 HydrophobicContact CG2-CB 4.47Å; C231-C237 VanDerWaalsContact CA-SG 3.51Å; C231-C237 HydrophobicContact CB-CB 3.98Å; C231-C237 WeakPolarHBondContact CB-SG 3.48Å; C231-C237 WeakPolarHBondContact O-CB 3.28Å; C231-C237 WeakPolarHBondContact SG-CB 3.49Å; C231-C237 CovalentContact SG-SG 2.04Å; C231-C237 PolarHBondContact SG-SG 2.83Å; H234-C237 HydrophobicContact CB-CB 3.88Å; H234-C237 PolarHBondContact O-N 3.22Å; C237-F239 PolarHBondContact SG-O 3.03Å; C237-L258 HydrophobicContact CB-CB 4.11Å; C237-S280 WeakPolarHBondContact O-CB 3.47Å
238	L	94.8	Very high	94	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.136	18%	0.179	C	C	.	.	S	Bend	trans	-106.3	-29.9	177.1	-60.4	-176.4	0	0	0	111.7	I145 K259 T260 S280	I145-L238 HydrophobicContact CD1-CD2 4.33Å; I145-L238 HydrophobicContact CG1-CD1 4.31Å; I145-L238 HydrophobicContact CG1-CD2 4.1Å; L238-K259 PolarHBondContact N-O 2.9Å; L238-T260 WeakPolarHBondContact CD1-OG1 3.49Å; L238-S280 VanDerWaalsContact O-CB 3.27Å; L238-S280 WeakPolarHBondContact O-CB 3.26Å; L238-S280 PolarHBondContact O-N 2.71Å
239	F	96.4	Very high	93.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	167.8	177.8	46.2	-92.5	0	0	0	109.8	F211 D213 C237 K259 P266 G278 Y279	F211-F239 HydrophobicContact CB-CD2 4.18Å; F211-F239 HydrophobicContact CB-CE2 4.38Å; F211-F239 HydrophobicContact CD2-CB 4.06Å; F211-F239 AromaticContact CD2-CD2 3.81Å; F211-F239 HydrophobicContact CD2-CD2 3.81Å; F211-F239 HydrophobicContact CD2-CG 4.24Å; F211-F239 HydrophobicContact CE2-CB 4.17Å; F211-F239 HydrophobicContact CG-CD2 4.35Å; D213-F239 HydrophobicContact CB-CE2 3.82Å; D213-F239 HydrophobicContact CB-CZ 3.92Å; D213-F239 VanDerWaalsContact OD2-CZ 3.27Å; D213-F239 WeakPolarHBondContact OD2-CZ 3.45Å; C237-F239 PolarHBondContact SG-O 3.03Å; F239-K259 HydrophobicContact CD2-CB 3.62Å; F239-K259 HydrophobicContact CE2-CB 3.53Å; F239-K259 HydrophobicContact CE2-CD 4.43Å; F239-K259 HydrophobicContact CZ-CB 4.43Å; F239-K259 PolarHBondContact N-O 3.03Å; F239-K259 WeakPolarHBondContact O-CA 3.35Å; F239-K259 WeakPolarHBondContact O-CB 3.25Å; F239-K259 PolarHBondContact O-N 3.37Å; F239-P266 HydrophobicContact CB-CG 4.48Å; F239-P266 HydrophobicContact CD1-CG 4.02Å; F239-P266 HydrophobicContact CD2-CG 3.87Å; F239-P266 HydrophobicContact CE1-CG 4.21Å; F239-P266 HydrophobicContact CE2-CB 4.34Å; F239-P266 HydrophobicContact CE2-CG 4.03Å; F239-P266 HydrophobicContact CG-CG 3.86Å; F239-P266 HydrophobicContact CZ-CB 4.49Å; F239-P266 HydrophobicContact CZ-CG 4.21Å; F239-G278 CarbonylContact C-O 3.55Å; F239-G278 VanDerWaalsContact CA-O 3.26Å; F239-G278 WeakPolarHBondContact CA-O 3.37Å; F239-G278 VanDerWaalsContact CB-O 3.24Å; F239-G278 WeakPolarHBondContact CB-O 3.47Å; F239-Y279 HydrophobicContact CB-CD1 3.94Å; F239-Y279 HydrophobicContact CB-CE1 4.34Å; F239-Y279 HydrophobicContact CB-CG 4.44Å
240	F	97.9	Very high	93.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.7	-174.5	71.4	-87.8	0	0	0	112	A224 C227 R228 C231 F242 F257 L258 S277 G278	A224-F240 HydrophobicContact CB-CE2 4.32Å; C227-F240 HydrophobicContact CB-CD2 4.18Å; C227-F240 HydrophobicContact CB-CE2 4.29Å; C227-F240 WeakPolarHBondContact SG-CD2 3.27Å; R228-F240 HydrophobicContact CB-CD1 4.2Å; R228-F240 HydrophobicContact CB-CE1 3.44Å; R228-F240 VanDerWaalsContact CB-CE1 3.44Å; R228-F240 HydrophobicContact CB-CZ 3.76Å; R228-F240 HydrophobicContact CG-CD1 4.38Å; R228-F240 HydrophobicContact CG-CE1 3.63Å; R228-F240 HydrophobicContact CG-CZ 4.34Å; C231-F240 HydrophobicContact CB-CB 4.29Å; C231-F240 HydrophobicContact CB-CD1 4.3Å; F240-F242 HydrophobicContact CD2-CB 4.23Å; F240-F242 HydrophobicContact CE2-CB 4.15Å; F240-F257 WeakPolarHBondContact CA-O 3.34Å; F240-F257 WeakPolarHBondContact CB-O 3.27Å; F240-L258 HydrophobicContact CB-CD2 4.46Å; F240-S277 VanDerWaalsContact O-CA 3.25Å; F240-S277 WeakPolarHBondContact O-CA 3.26Å; F240-S277 VanDerWaalsContact O-CB 3.32Å; F240-S277 WeakPolarHBondContact O-CB 3.19Å; F240-G278 VanDerWaalsContact CD1-O 3.23Å; F240-G278 WeakPolarHBondContact CD1-O 3.03Å; F240-G278 VanDerWaalsContact CE1-CA 3.46Å; F240-G278 PolarHBondContact N-O 3.12Å; F240-G278 PolarHBondContact O-N 3.3Å; F240-G278 VanDerWaalsContact O-N 3.11Å
241	T	98.2	Very high	93.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.7	164.5	-63.1	0	0	0	0	109.1	A210 F211 Y243 F257 S277	A210-T241 HydrophobicContact CB-CG2 3.88Å; F211-T241 PolarHBondContact N-OG1 3.12Å; T241-Y243 HydrophobicContact CG2-CD1 4.01Å; T241-Y243 HydrophobicContact CG2-CE1 3.75Å; T241-F257 PolarHBondContact N-O 3.22Å; T241-F257 WeakPolarHBondContact O-CB 3.42Å; T241-F257 PolarHBondContact O-N 3.48Å; T241-S277 PolarHBondContact OG1-OG 3.29Å
242	F	98.1	Very high	93.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.035	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	178.7	175.8	-111.6	0	0	0	110.2	A221 A224 C227 F240 T244 V255 C256 T275 T276	A221-F242 HydrophobicContact CB-CD2 4.44Å; A221-F242 HydrophobicContact CB-CE2 4.11Å; A221-F242 WeakPolarHBondContact O-CE2 3.19Å; A221-F242 WeakPolarHBondContact O-CZ 3.42Å; A224-F242 HydrophobicContact CB-CB 4.25Å; A224-F242 HydrophobicContact CB-CD1 3.82Å; A224-F242 HydrophobicContact CB-CG 4.2Å; C227-F242 HydrophobicContact CB-CB 4.32Å; C227-F242 HydrophobicContact CB-CD2 4.16Å; C227-F242 HydrophobicContact CB-CG 4.45Å; F240-F242 HydrophobicContact CD2-CB 4.23Å; F240-F242 HydrophobicContact CE2-CB 4.15Å; F242-T244 HydrophobicContact CD1-CG2 4.21Å; F242-T244 HydrophobicContact CE1-CG2 4.06Å; F242-V255 WeakPolarHBondContact CA-O 3.2Å; F242-C256 HydrophobicContact CD2-CB 4.37Å; F242-T275 CarbonylContact O-C 3.58Å; F242-T275 VanDerWaalsContact O-CA 3.3Å; F242-T275 WeakPolarHBondContact O-CA 3.28Å; F242-T276 WeakPolarHBondContact CB-O 3.07Å; F242-T276 PolarHBondContact N-O 2.91Å; F242-T276 PolarHBondContact O-N 2.8Å
243	Y	97.4	Very high	93.2	Very high	38 Å²	38	53.7 Å²	53.7	15%	0.149	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.1	172.8	-73.9	16.2	0	0	0	108.5	T241 W247 Q252 N254 V255 F257 Q272 T275	T241-Y243 HydrophobicContact CG2-CD1 4.01Å; T241-Y243 HydrophobicContact CG2-CE1 3.75Å; Y243-W247 AromaticContact CD2-CD1 3.85Å; Y243-W247 AromaticContact CD2-CD2 3.69Å; Y243-W247 HydrophobicContact CD2-CD2 3.69Å; Y243-W247 AromaticContact CD2-CE2 3.53Å; Y243-W247 HydrophobicContact CD2-CE3 4.27Å; Y243-W247 AromaticContact CD2-CG 3.95Å; Y243-W247 HydrophobicContact CD2-CG 3.95Å; Y243-W247 HydrophobicContact CD2-CZ2 4.05Å; Y243-W247 AromaticContact CD2-NE1 3.57Å; Y243-W247 HydrophobicContact CE2-CD2 4.18Å; Y243-W247 AromaticContact CE2-CE2 3.6Å; Y243-W247 HydrophobicContact CE2-CH2 4.24Å; Y243-W247 AromaticContact CE2-CZ2 3.65Å; Y243-W247 HydrophobicContact CE2-CZ2 3.65Å; Y243-W247 AromaticContact CE2-NE1 3.81Å; Y243-W247 HydrophobicContact CG-CD2 4.15Å; Y243-W247 HydrophobicContact CG-CE3 4.4Å; Y243-W247 HydrophobicContact CG-CG 4.4Å; Y243-Q252 VanDerWaalsContact CB-O 3.31Å; Y243-Q252 WeakPolarHBondContact CB-O 3.26Å; Y243-Q252 HydrophobicContact CD2-CB 4.03Å; Y243-Q252 HydrophobicContact CE2-CB 4.48Å; Y243-N254 WeakPolarHBondContact O-CA 3.41Å; Y243-N254 PolarHBondContact O-N 2.98Å; Y243-V255 PolarHBondContact N-O 3.3Å; Y243-F257 HydrophobicContact CD1-CD2 4.23Å; Y243-F257 HydrophobicContact CD1-CE2 4.02Å; Y243-F257 HydrophobicContact CD2-CE2 4.01Å; Y243-F257 HydrophobicContact CE1-CD2 4.15Å; Y243-F257 AromaticContact CE1-CE2 3.9Å; Y243-F257 HydrophobicContact CE1-CE2 3.9Å; Y243-F257 AromaticContact CE2-CE2 3.88Å; Y243-F257 HydrophobicContact CE2-CE2 3.88Å; Y243-F257 HydrophobicContact CE2-CZ 4.47Å; Y243-F257 HydrophobicContact CG-CE2 4.08Å; Y243-F257 AromaticContact CZ-CE2 3.82Å; Y243-Q272 PolarHBondContact OH-NE2 2.69Å; Y243-T275 HydrophobicContact CD1-CG2 3.61Å; Y243-T275 HydrophobicContact CE1-CG2 3.7Å; Y243-T275 HydrophobicContact CG-CG2 4.38Å
244	T	95.3	Very high	93.4	Very high	26 Å²	26	51 Å²	51	16%	0.16	26%	0.262	C	S	.	.			trans	-73.5	172.4	-173.5	72.6	0	0	0	0	112.2	F242 A246 W247 N274	F242-T244 HydrophobicContact CD1-CG2 4.21Å; F242-T244 HydrophobicContact CE1-CG2 4.06Å; T244-A246 PolarHBondContact O-N 2.99Å; T244-A246 PolarHBondContact OG1-N 3.3Å; T244-W247 WeakPolarHBondContact O-CB 3.06Å; T244-W247 PolarHBondContact O-N 3.4Å; T244-W247 VanDerWaalsContact O-N 3.11Å; T244-N274 WeakPolarHBondContact CG2-O 3.13Å; T244-N274 PolarHBondContact N-O 3.03Å; T244-N274 PolarHBondContact OG1-O 2.7Å
245	N	92.3	Very high	93.6	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	171.4	66.6	-18.7	0	0	0	113.5	W247 R253 N254 Y362	N245-W247 VanDerWaalsContact C-N 3.27Å; N245-R253 VanDerWaalsContact O-CD 3.23Å; N245-R253 WeakPolarHBondContact O-CD 3.38Å; N245-R253 PolarHBondContact O-NE 2.82Å; N245-N254 WeakPolarHBondContact CB-OD1 3.28Å; N245-Y362 HydrophobicContact CB-CD2 4.1Å; N245-Y362 HydrophobicContact CB-CE1 4.21Å; N245-Y362 HydrophobicContact CB-CE2 3.57Å; N245-Y362 WeakPolarHBondContact ND2-CE1 3.22Å
246	A	91.6	Very high	94	Very high	52 Å²	52	45.4 Å²	45.4	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.5	173.4	0	0	0	0	0	113.5	T244 N274	T244-A246 PolarHBondContact O-N 2.99Å; T244-A246 PolarHBondContact OG1-N 3.3Å; A246-N274 HydrophobicContact CB-CB 4.36Å; A246-N274 VanDerWaalsContact CB-OD1 3.28Å; A246-N274 WeakPolarHBondContact CB-OD1 3.4Å
247	W	91.3	Very high	94.3	Very high	37 Å²	37	45.9 Å²	45.9	14%	0.14	23%	0.231	C	C	.	.			trans	-59.7	141.5	176.5	-173.3	-105.7	0	0	0	112	Y243 T244 N245 I249 R253 Q272 E273 N274 T275	Y243-W247 AromaticContact CD2-CD1 3.85Å; Y243-W247 AromaticContact CD2-CD2 3.69Å; Y243-W247 HydrophobicContact CD2-CD2 3.69Å; Y243-W247 AromaticContact CD2-CE2 3.53Å; Y243-W247 HydrophobicContact CD2-CE3 4.27Å; Y243-W247 AromaticContact CD2-CG 3.95Å; Y243-W247 HydrophobicContact CD2-CG 3.95Å; Y243-W247 HydrophobicContact CD2-CZ2 4.05Å; Y243-W247 AromaticContact CD2-NE1 3.57Å; Y243-W247 HydrophobicContact CE2-CD2 4.18Å; Y243-W247 AromaticContact CE2-CE2 3.6Å; Y243-W247 HydrophobicContact CE2-CH2 4.24Å; Y243-W247 AromaticContact CE2-CZ2 3.65Å; Y243-W247 HydrophobicContact CE2-CZ2 3.65Å; Y243-W247 AromaticContact CE2-NE1 3.81Å; Y243-W247 HydrophobicContact CG-CD2 4.15Å; Y243-W247 HydrophobicContact CG-CE3 4.4Å; Y243-W247 HydrophobicContact CG-CG 4.4Å; T244-W247 WeakPolarHBondContact O-CB 3.06Å; T244-W247 PolarHBondContact O-N 3.4Å; T244-W247 VanDerWaalsContact O-N 3.11Å; N245-W247 VanDerWaalsContact C-N 3.27Å; W247-I249 PolarHBondContact O-N 2.94Å; W247-R253 HydrophobicContact CB-CG 4.09Å; W247-R253 PolarHBondContact O-NE 2.87Å; W247-R253 PolarHBondContact O-NH2 2.87Å; W247-Q272 HydrophobicContact CH2-CG 3.86Å; W247-Q272 HydrophobicContact CZ3-CG 3.86Å; W247-E273 WeakPolarHBondContact CZ3-O 3.49Å; W247-N274 HydrophobicContact CE3-CB 4.19Å; W247-T275 HydrophobicContact CE3-CG2 3.97Å; W247-T275 HydrophobicContact CH2-CG2 4.43Å; W247-T275 HydrophobicContact CZ3-CG2 3.6Å
248	K	89.1	Confident	94.4	Very high	188 Å²	188	45.8 Å²	45.8	82%	0.817	23%	0.23	S	C	*	.	S	Bend	trans	-64.3	-41.6	-171.3	-67.3	-176.4	178.7	-179.5	0	113
249	I	90.6	Very high	94.4	Very high	84 Å²	84	45.2 Å²	45.2	43%	0.431	23%	0.226	S	C	.	.	S	Bend	trans	-89.9	112.6	-176.9	-59.1	174.7	0	0	0	108.8	W247 S251 Q252 R253	W247-I249 PolarHBondContact O-N 2.94Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 WeakPolarHBondContact CG2-OG 3.46Å; I249-S251 PolarHBondContact O-N 2.85Å; I249-Q252 HydrophobicContact CB-CB 4.29Å; I249-Q252 HydrophobicContact CB-CG 4.28Å; I249-Q252 HydrophobicContact CG2-CB 4.34Å; I249-Q252 HydrophobicContact CG2-CG 3.95Å; I249-Q252 PolarHBondContact O-N 3.49Å; I249-R253 PolarHBondContact O-N 2.86Å
250	E	87.2	Confident	94.4	Very high	147 Å²	147	46.8 Å²	46.8	69%	0.687	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-57.7	-42.5	-172.1	-173.3	172.2	-166.6	0	0	113.5	Q252 R253	E250-Q252 PolarHBondContact O-N 3.24Å; E250-R253 WeakPolarHBondContact O-CB 3.41Å; E250-R253 PolarHBondContact O-N 3.11Å; E250-R253 VanDerWaalsContact O-N 3.09Å
251	S	87.2	Confident	94.2	Very high	92 Å²	92	47.2 Å²	47.2	64%	0.643	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-65.7	-7.5	177.7	60.9	0	0	0	0	114.9	R218 I249	R218-S251 PolarHBondContact NH2-O 3.15Å; I249-S251 VanDerWaalsContact C-N 3.34Å; I249-S251 WeakPolarHBondContact CG2-OG 3.46Å; I249-S251 PolarHBondContact O-N 2.85Å
252	Q	91.8	Very high	93.7	Very high	63 Å²	63	55 Å²	55	29%	0.294	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-113.3	-0.6	177.6	-62.5	179.6	-9.8	0	0	113.2	Y243 I249 E250 V255	Y243-Q252 VanDerWaalsContact CB-O 3.31Å; Y243-Q252 WeakPolarHBondContact CB-O 3.26Å; Y243-Q252 HydrophobicContact CD2-CB 4.03Å; Y243-Q252 HydrophobicContact CE2-CB 4.48Å; I249-Q252 HydrophobicContact CB-CB 4.29Å; I249-Q252 HydrophobicContact CB-CG 4.28Å; I249-Q252 HydrophobicContact CG2-CB 4.34Å; I249-Q252 HydrophobicContact CG2-CG 3.95Å; I249-Q252 PolarHBondContact O-N 3.49Å; E250-Q252 PolarHBondContact O-N 3.24Å; Q252-V255 WeakPolarHBondContact O-CB 3.43Å; Q252-V255 VanDerWaalsContact O-CG2 3.3Å; Q252-V255 WeakPolarHBondContact O-CG2 3.4Å
253	R	94.7	Very high	93.3	Very high	90 Å²	90	58.1 Å²	58.1	34%	0.34	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	142.9	174.3	-71.3	174.4	179	170.2	-3.2	110.9	N245 W247 I249 E250 V255	N245-R253 VanDerWaalsContact O-CD 3.23Å; N245-R253 WeakPolarHBondContact O-CD 3.38Å; N245-R253 PolarHBondContact O-NE 2.82Å; W247-R253 HydrophobicContact CB-CG 4.09Å; W247-R253 PolarHBondContact O-NE 2.87Å; W247-R253 PolarHBondContact O-NH2 2.87Å; I249-R253 PolarHBondContact O-N 2.86Å; E250-R253 WeakPolarHBondContact O-CB 3.41Å; E250-R253 PolarHBondContact O-N 3.11Å; E250-R253 VanDerWaalsContact O-N 3.09Å; R253-V255 PolarHBondContact O-N 3.32Å; R253-V255 VanDerWaalsContact O-N 3.17Å
254	N	96.9	Very high	92.8	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.032	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	12	178.8	-44.1	-67.8	0	0	0	114.4	L220 A221 Y243 N245 C256 I360 Y362	L220-N254 WeakPolarHBondContact CA-O 3.38Å; A221-N254 PolarHBondContact N-O 3.23Å; A221-N254 WeakPolarHBondContact O-CB 3.15Å; Y243-N254 WeakPolarHBondContact O-CA 3.41Å; Y243-N254 PolarHBondContact O-N 2.98Å; N245-N254 WeakPolarHBondContact CB-OD1 3.28Å; N254-C256 PolarHBondContact O-N 3.18Å; N254-I360 HydrophobicContact CB-CB 4.48Å; N254-I360 HydrophobicContact CB-CD1 4.12Å; N254-Y362 WeakPolarHBondContact OD1-CE2 3.16Å; N254-Y362 PolarHBondContact OD1-OH 3.14Å
255	V	97.6	Very high	92.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.3	179.9	178.8	0	0	0	0	109.8	R218 L220 F242 Y243 Q252 R253 F257	R218-V255 HydrophobicContact CG-CG1 3.55Å; L220-V255 HydrophobicContact CD2-CB 4.48Å; L220-V255 HydrophobicContact CD2-CG2 3.75Å; F242-V255 WeakPolarHBondContact CA-O 3.2Å; Y243-V255 PolarHBondContact N-O 3.3Å; Q252-V255 WeakPolarHBondContact O-CB 3.43Å; Q252-V255 VanDerWaalsContact O-CG2 3.3Å; Q252-V255 WeakPolarHBondContact O-CG2 3.4Å; R253-V255 PolarHBondContact O-N 3.32Å; R253-V255 VanDerWaalsContact O-N 3.17Å; V255-F257 HydrophobicContact CB-CD2 4.48Å; V255-F257 HydrophobicContact CB-CE2 3.97Å; V255-F257 HydrophobicContact CB-CZ 4.35Å; V255-F257 HydrophobicContact CG1-CD1 4.26Å; V255-F257 HydrophobicContact CG1-CD2 3.76Å; V255-F257 HydrophobicContact CG1-CE1 3.95Å; V255-F257 HydrophobicContact CG1-CE2 3.4Å; V255-F257 VanDerWaalsContact CG1-CE2 3.4Å; V255-F257 HydrophobicContact CG1-CG 4.18Å; V255-F257 HydrophobicContact CG1-CZ 3.51Å
256	C	97.9	Very high	92.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	109.5	170.9	177.6	0	0	0	0	108.8	V219 A221 C227 F242 N254 L258	V219-C256 HydrophobicContact CG2-CB 3.69Å; V219-C256 PolarHBondContact N-O 3.02Å; V219-C256 VanDerWaalsContact N-O 3.08Å; V219-C256 PolarHBondContact O-N 3.32Å; A221-C256 HydrophobicContact CB-CB 4.02Å; C227-C256 WeakPolarHBondContact CA-SG 3.3Å; C227-C256 HydrophobicContact CB-CB 3.72Å; C227-C256 WeakPolarHBondContact CB-SG 3.43Å; C227-C256 VanDerWaalsContact SG-CA 3.57Å; C227-C256 WeakPolarHBondContact SG-CB 3.43Å; C227-C256 CovalentContact SG-SG 2.02Å; C227-C256 PolarHBondContact SG-SG 3.09Å; F242-C256 HydrophobicContact CD2-CB 4.37Å; N254-C256 PolarHBondContact O-N 3.18Å; C256-L258 WeakPolarHBondContact SG-CD2 3.25Å
257	F	97.8	Very high	92.6	Very high	30 Å²	30	57.9 Å²	57.9	13%	0.132	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113.1	174	-67.7	-81.7	0	0	0	109.1	D215 R218 F240 T241 Y243 V255	D215-F257 WeakPolarHBondContact OD1-CB 3.49Å; R218-F257 HydrophobicContact CG-CE1 4.37Å; F240-F257 WeakPolarHBondContact CA-O 3.34Å; F240-F257 WeakPolarHBondContact CB-O 3.27Å; T241-F257 PolarHBondContact N-O 3.22Å; T241-F257 WeakPolarHBondContact O-CB 3.42Å; T241-F257 PolarHBondContact O-N 3.48Å; Y243-F257 HydrophobicContact CD1-CD2 4.23Å; Y243-F257 HydrophobicContact CD1-CE2 4.02Å; Y243-F257 HydrophobicContact CD2-CE2 4.01Å; Y243-F257 HydrophobicContact CE1-CD2 4.15Å; Y243-F257 AromaticContact CE1-CE2 3.9Å; Y243-F257 HydrophobicContact CE1-CE2 3.9Å; Y243-F257 AromaticContact CE2-CE2 3.88Å; Y243-F257 HydrophobicContact CE2-CE2 3.88Å; Y243-F257 HydrophobicContact CE2-CZ 4.47Å; Y243-F257 HydrophobicContact CG-CE2 4.08Å; Y243-F257 AromaticContact CZ-CE2 3.82Å; V255-F257 HydrophobicContact CB-CD2 4.48Å; V255-F257 HydrophobicContact CB-CE2 3.97Å; V255-F257 HydrophobicContact CB-CZ 4.35Å; V255-F257 HydrophobicContact CG1-CD1 4.26Å; V255-F257 HydrophobicContact CG1-CD2 3.76Å; V255-F257 HydrophobicContact CG1-CE1 3.95Å; V255-F257 HydrophobicContact CG1-CE2 3.4Å; V255-F257 VanDerWaalsContact CG1-CE2 3.4Å; V255-F257 HydrophobicContact CG1-CG 4.18Å; V255-F257 HydrophobicContact CG1-CZ 3.51Å
258	L	97.6	Very high	92.7	Very high	1 Å²	1	59 Å²	59	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.8	175.6	-56.4	-167.9	0	0	0	108.5	D215 V216 A217 I230 C231 H234 C237 F240 C256	D215-L258 CarbonylContact C-O 3.49Å; D215-L258 WeakPolarHBondContact CA-O 3.2Å; V216-L258 HydrophobicContact CG2-CB 3.91Å; V216-L258 WeakPolarHBondContact CG2-O 3.41Å; V216-L258 PolarHBondContact N-O 3.02Å; A217-L258 HydrophobicContact CB-CB 4.11Å; A217-L258 HydrophobicContact CB-CD1 3.9Å; A217-L258 HydrophobicContact CB-CG 4.2Å; A217-L258 PolarHBondContact N-O 3.3Å; A217-L258 PolarHBondContact O-N 2.96Å; I230-L258 HydrophobicContact CG2-CD1 3.88Å; I230-L258 HydrophobicContact CG2-CD2 4.5Å; C231-L258 HydrophobicContact CB-CD2 3.82Å; H234-L258 HydrophobicContact CB-CD1 3.84Å; C237-L258 HydrophobicContact CB-CB 4.11Å; F240-L258 HydrophobicContact CB-CD2 4.46Å; C256-L258 WeakPolarHBondContact SG-CD2 3.25Å
259	K	96.6	Very high	92.8	Very high	15 Å²	15	53.2 Å²	53.2	7%	0.065	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.3	-168	-67.8	-179.1	175.6	-62.4	0	114	F211 D213 V214 D215 L238 F239	F211-K259 HydrophobicContact CB-CD 4.44Å; F211-K259 WeakPolarHBondContact O-CD 3.42Å; F211-K259 WeakPolarHBondContact O-CE 3.37Å; D213-K259 PolarHBondContact O-NZ 3.02Å; D213-K259 VanDerWaalsContact O-NZ 3.11Å; V214-K259 VanDerWaalsContact O-CA 3.27Å; V214-K259 WeakPolarHBondContact O-CA 3.37Å; D215-K259 WeakPolarHBondContact OD1-CE 3.41Å; D215-K259 VanDerWaalsContact OD1-CG 3.26Å; D215-K259 WeakPolarHBondContact OD1-CG 3.48Å; D215-K259 IonicContact OD1-NZ 3.73Å; D215-K259 PolarHBondContact OD1-NZ 3.43Å; D215-K259 IonicContact OD2-NZ 3.61Å; D215-K259 PolarHBondContact OD2-NZ 2.82Å; L238-K259 PolarHBondContact N-O 2.9Å; F239-K259 HydrophobicContact CD2-CB 3.62Å; F239-K259 HydrophobicContact CE2-CB 3.53Å; F239-K259 HydrophobicContact CE2-CD 4.43Å; F239-K259 HydrophobicContact CZ-CB 4.43Å; F239-K259 PolarHBondContact N-O 3.03Å; F239-K259 WeakPolarHBondContact O-CA 3.35Å; F239-K259 WeakPolarHBondContact O-CB 3.25Å; F239-K259 PolarHBondContact O-N 3.37Å
260	T	94.9	Very high	93	Very high	33 Å²	33	51.8 Å²	51.8	20%	0.202	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.1	174.5	-157.6	0	0	0	0	111.3	V214 V216 S236 L238	V214-T260 HydrophobicContact CB-CG2 4.34Å; V214-T260 PolarHBondContact N-O 2.94Å; V214-T260 PolarHBondContact O-N 3.13Å; V216-T260 HydrophobicContact CG1-CG2 3.45Å; V216-T260 VanDerWaalsContact CG1-CG2 3.45Å; S236-T260 VanDerWaalsContact O-CB 3.31Å; S236-T260 WeakPolarHBondContact O-CB 3.49Å; S236-T260 PolarHBondContact O-OG1 2.99Å; L238-T260 WeakPolarHBondContact CD1-OG1 3.49Å
261	S	93.6	Very high	93.3	Very high	8 Å²	8	50.5 Å²	50.5	6%	0.056	30%	0.298	C	S	.	.			trans	-143	163.2	175.6	63.9	0	0	0	0	111.1	D213 S263 G264 T265	D213-S261 WeakPolarHBondContact OD1-CB 3.22Å; S261-S263 VanDerWaalsContact C-N 3.35Å; S261-S263 PolarHBondContact OG-OG 3.3Å; S261-S263 VanDerWaalsContact OG-OG 3.06Å; S261-G264 PolarHBondContact O-N 3.34Å; S261-G264 PolarHBondContact OG-N 2.86Å; S261-G264 VanDerWaalsContact OG-N 3.08Å; S261-T265 WeakPolarHBondContact CB-O 3.24Å; S261-T265 PolarHBondContact OG-N 3.42Å; S261-T265 VanDerWaalsContact OG-N 3.12Å; S261-T265 PolarHBondContact OG-O 3.41Å
262	E	88.5	Confident	93.6	Very high	167 Å²	167	48.4 Å²	48.4	78%	0.78	28%	0.279	S	S	*	.	S	Bend	trans	-68.8	-33.1	175.2	-63.7	-163.6	160	0	0	112.8	R146 G264	R146-E262 PolarHBondContact NE-O 2.83Å; R146-E262 PolarHBondContact NH1-O 3.01Å; R146-E262 PolarHBondContact NH2-O 2.04Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 2.04Å
263	S	88.9	Confident	93.7	Very high	72 Å²	72	51 Å²	51	50%	0.503	29%	0.291	S	S	.	.	S	Bend	trans	-68.7	-28.7	173.5	55.4	0	0	0	0	112.3	S261 T265	S261-S263 VanDerWaalsContact C-N 3.35Å; S261-S263 PolarHBondContact OG-OG 3.3Å; S261-S263 VanDerWaalsContact OG-OG 3.06Å; S263-T265 PolarHBondContact OG-N 2.95Å; S263-T265 PolarHBondContact OG-O 3.48Å; S263-T265 PolarHBondContact OG-OG1 2.94Å
264	G	86.9	Confident	93.7	Very high	5 Å²	5	49.1 Å²	49.1	5%	0.052	29%	0.287	C	S	.	.	S	Bend	trans	87.3	2.7	-171.8	0	0	0	0	0	114.2	S261 E262	S261-G264 PolarHBondContact O-N 3.34Å; S261-G264 PolarHBondContact OG-N 2.86Å; S261-G264 VanDerWaalsContact OG-N 3.08Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 2.04Å
265	T	89.6	Confident	93.6	Very high	72 Å²	72	48.9 Å²	48.9	44%	0.442	29%	0.286	S	S	.	.	S	Bend	trans	-130.8	156.3	175.1	56.1	0	0	0	0	110.2	S261 S263 S267	S261-T265 WeakPolarHBondContact CB-O 3.24Å; S261-T265 PolarHBondContact OG-N 3.42Å; S261-T265 VanDerWaalsContact OG-N 3.12Å; S261-T265 PolarHBondContact OG-O 3.41Å; S263-T265 PolarHBondContact OG-N 2.95Å; S263-T265 PolarHBondContact OG-O 3.48Å; S263-T265 PolarHBondContact OG-OG1 2.94Å; T265-S267 PolarHBondContact O-N 3.07Å
266	P	93.3	Very high	93.5	Very high	23 Å²	23	49.7 Å²	49.7	15%	0.149	29%	0.291	C	S	.	.			trans	-51.8	128	175.6	-28.4	34.9	0	0	0	112.7	F211 D213 F239 Y279	F211-P266 HydrophobicContact CB-CB 4.18Å; F211-P266 HydrophobicContact CB-CG 4.35Å; F211-P266 HydrophobicContact CD1-CB 3.73Å; F211-P266 HydrophobicContact CD1-CG 3.78Å; F211-P266 HydrophobicContact CD2-CB 4.34Å; F211-P266 HydrophobicContact CD2-CG 3.65Å; F211-P266 HydrophobicContact CE1-CB 4.17Å; F211-P266 HydrophobicContact CE1-CG 3.9Å; F211-P266 HydrophobicContact CE2-CG 3.75Å; F211-P266 HydrophobicContact CG-CB 3.84Å; F211-P266 HydrophobicContact CG-CG 3.68Å; F211-P266 HydrophobicContact CZ-CG 3.89Å; D213-P266 VanDerWaalsContact OD2-CA 3.23Å; D213-P266 WeakPolarHBondContact OD2-CA 3.04Å; F239-P266 HydrophobicContact CB-CG 4.48Å; F239-P266 HydrophobicContact CD1-CG 4.02Å; F239-P266 HydrophobicContact CD2-CG 3.87Å; F239-P266 HydrophobicContact CE1-CG 4.21Å; F239-P266 HydrophobicContact CE2-CB 4.34Å; F239-P266 HydrophobicContact CE2-CG 4.03Å; F239-P266 HydrophobicContact CG-CG 3.86Å; F239-P266 HydrophobicContact CZ-CB 4.49Å; F239-P266 HydrophobicContact CZ-CG 4.21Å; P266-Y279 WeakPolarHBondContact CD-OH 3.34Å; P266-Y279 HydrophobicContact CG-CE1 4.05Å
267	S	92.9	Very high	93.5	Very high	83 Å²	83	49.7 Å²	49.7	58%	0.58	29%	0.291	S	S	*	.	S	Bend	trans	-71.1	-36.6	178.1	-59.5	0	0	0	0	111.5	D213 T265	D213-S267 WeakPolarHBondContact OD1-CB 3.42Å; D213-S267 PolarHBondContact OD1-OG 3.42Å; D213-S267 PolarHBondContact OD2-N 2.89Å; D213-S267 PolarHBondContact OD2-OG 3.01Å; T265-S267 PolarHBondContact O-N 3.07Å
268	S	92.6	Very high	93.3	Very high	61 Å²	61	48.3 Å²	48.3	43%	0.427	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	160.2	168.3	69.7	0	0	0	0	112.2	S212	S212-S268 WeakPolarHBondContact CB-OG 3.4Å; S212-S268 PolarHBondContact N-O 3.08Å
269	S	92.4	Very high	93	Very high	65 Å²	65	50.2 Å²	50.2	46%	0.455	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.8	175.8	64.9	0	0	0	0	110.7	A210	A210-S269 CarbonylContact O-C 3.59Å; A210-S269 VanDerWaalsContact O-CA 3.28Å; A210-S269 WeakPolarHBondContact O-CA 3.34Å
270	T	94	Very high	92.8	Very high	55 Å²	55	50.1 Å²	50.1	34%	0.337	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.1	-179.6	47.9	0	0	0	0	110.9	L209 A210 Q272	L209-T270 WeakPolarHBondContact CA-O 3.48Å; A210-T270 PolarHBondContact N-O 3.35Å; A210-T270 PolarHBondContact O-N 2.94Å; T270-Q272 PolarHBondContact O-N 2.85Å
271	P	94.6	Very high	92.5	Very high	119 Å²	119	48.8 Å²	48.8	77%	0.773	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	121.5	167.2	-22.7	34.2	0	0	0	109.7	H208	H208-P271 CarbonylContact O-C 3.54Å; H208-P271 WeakPolarHBondContact O-CA 3.47Å
272	Q	93.2	Very high	92.1	Very high	48 Å²	48	50.1 Å²	50.1	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	103.8	-172.8	-166.6	172.5	-52.9	0	0	110.3	H208 A210 Y243 W247 T270 T275	H208-Q272 CarbonylContact C-O 3.54Å; H208-Q272 VanDerWaalsContact CA-O 3.25Å; H208-Q272 WeakPolarHBondContact CA-O 3.43Å; H208-Q272 PolarHBondContact O-N 2.81Å; A210-Q272 HydrophobicContact CB-CB 3.97Å; A210-Q272 HydrophobicContact CB-CG 4.47Å; Y243-Q272 PolarHBondContact OH-NE2 2.69Å; W247-Q272 HydrophobicContact CH2-CG 3.86Å; W247-Q272 HydrophobicContact CZ3-CG 3.86Å; T270-Q272 PolarHBondContact O-N 2.85Å; Q272-T275 HydrophobicContact CB-CG2 4.08Å; Q272-T275 HydrophobicContact CG-CG2 3.76Å; Q272-T275 WeakPolarHBondContact O-CB 3.05Å; Q272-T275 PolarHBondContact O-N 2.97Å; Q272-T275 PolarHBondContact O-OG1 2.97Å
273	E	93.4	Very high	91.9	Very high	118 Å²	118	42.8 Å²	42.8	55%	0.551	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-48.7	142.9	179.6	-89.4	-59.8	153.3	0	0	113.9	H208 W247 T275	H208-E273 IonicContact CE1-OE2 3.24Å; H208-E273 PolarHBondContact CE1-OE2 3.35Å; H208-E273 VanDerWaalsContact CE1-OE2 3.3Å; H208-E273 IonicContact CG-OE2 3.71Å; H208-E273 VanDerWaalsContact ND1-CD 3.31Å; H208-E273 IonicContact ND1-OE1 3.5Å; H208-E273 PolarHBondContact ND1-OE1 3.01Å; H208-E273 IonicContact ND1-OE2 2.71Å; H208-E273 PolarHBondContact ND1-OE2 3.17Å; W247-E273 WeakPolarHBondContact CZ3-O 3.49Å; E273-T275 PolarHBondContact O-N 3.11Å
274	N	94.1	Very high	90.9	Very high	50 Å²	50	39.7 Å²	39.7	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	27.2	-178.4	-60.9	-61.7	0	0	0	115.5	T244 A246 W247	T244-N274 WeakPolarHBondContact CG2-O 3.13Å; T244-N274 PolarHBondContact N-O 3.03Å; T244-N274 PolarHBondContact OG1-O 2.7Å; A246-N274 HydrophobicContact CB-CB 4.36Å; A246-N274 VanDerWaalsContact CB-OD1 3.28Å; A246-N274 WeakPolarHBondContact CB-OD1 3.4Å; W247-N274 HydrophobicContact CE3-CB 4.19Å
275	T	95.9	Very high	89.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	161	166.9	68.6	0	0	0	0	111.8	H208 L209 F242 Y243 W247 Q272 E273	H208-T275 WeakPolarHBondContact CA-O 3.37Å; H208-T275 PolarHBondContact N-O 2.78Å; L209-T275 PolarHBondContact N-OG1 2.87Å; L209-T275 VanDerWaalsContact N-OG1 3.17Å; L209-T275 PolarHBondContact O-OG1 3.03Å; F242-T275 CarbonylContact O-C 3.58Å; F242-T275 VanDerWaalsContact O-CA 3.3Å; F242-T275 WeakPolarHBondContact O-CA 3.28Å; Y243-T275 HydrophobicContact CD1-CG2 3.61Å; Y243-T275 HydrophobicContact CE1-CG2 3.7Å; Y243-T275 HydrophobicContact CG-CG2 4.38Å; W247-T275 HydrophobicContact CE3-CG2 3.97Å; W247-T275 HydrophobicContact CH2-CG2 4.43Å; W247-T275 HydrophobicContact CZ3-CG2 3.6Å; Q272-T275 HydrophobicContact CB-CG2 4.08Å; Q272-T275 HydrophobicContact CG-CG2 3.76Å; Q272-T275 WeakPolarHBondContact O-CB 3.05Å; Q272-T275 PolarHBondContact O-N 2.97Å; Q272-T275 PolarHBondContact O-OG1 2.97Å; E273-T275 PolarHBondContact O-N 3.11Å
276	T	95.8	Very high	87.9	Confident	17 Å²	17	47.2 Å²	47.2	10%	0.104	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	118.2	175.9	-61.6	0	0	0	0	109.5	I205 F206 A224 F242	I205-T276 HydrophobicContact CG2-CG2 3.17Å; F206-T276 CarbonylContact O-C 3.58Å; F206-T276 VanDerWaalsContact O-CA 3.27Å; F206-T276 WeakPolarHBondContact O-CA 3.34Å; A224-T276 HydrophobicContact CB-CG2 3.54Å; F242-T276 WeakPolarHBondContact CB-O 3.07Å; F242-T276 PolarHBondContact N-O 2.91Å; F242-T276 PolarHBondContact O-N 2.8Å
277	S	96.9	Very high	86.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	160.7	178.2	-63.2	0	0	0	0	112.6	F206 L209 A210 F211 F240 T241	F206-S277 PolarHBondContact N-O 3.17Å; F206-S277 PolarHBondContact O-N 2.78Å; L209-S277 VanDerWaalsContact O-CB 3.28Å; L209-S277 WeakPolarHBondContact O-CB 3.48Å; L209-S277 PolarHBondContact O-N 2.66Å; L209-S277 PolarHBondContact O-OG 3.26Å; A210-S277 WeakPolarHBondContact CA-OG 3.35Å; F211-S277 PolarHBondContact N-OG 3.29Å; F240-S277 VanDerWaalsContact O-CA 3.25Å; F240-S277 WeakPolarHBondContact O-CA 3.26Å; F240-S277 VanDerWaalsContact O-CB 3.32Å; F240-S277 WeakPolarHBondContact O-CB 3.19Å; T241-S277 PolarHBondContact OG1-OG 3.29Å
278	G	93.8	Very high	84.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-178	178.9	0	0	0	0	0	112.9	F239 F240	F239-G278 CarbonylContact C-O 3.55Å; F239-G278 VanDerWaalsContact CA-O 3.26Å; F239-G278 WeakPolarHBondContact CA-O 3.37Å; F239-G278 VanDerWaalsContact CB-O 3.24Å; F239-G278 WeakPolarHBondContact CB-O 3.47Å; F240-G278 VanDerWaalsContact CD1-O 3.23Å; F240-G278 WeakPolarHBondContact CD1-O 3.03Å; F240-G278 VanDerWaalsContact CE1-CA 3.46Å; F240-G278 PolarHBondContact N-O 3.12Å; F240-G278 PolarHBondContact O-N 3.3Å; F240-G278 VanDerWaalsContact O-N 3.11Å
279	Y	91.8	Very high	83.4	Confident	42 Å²	42	45.7 Å²	45.7	17%	0.165	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.7	-173.5	-67.1	-92.9	0	0	0	112.9	H202 F206 F211 R228 F239 P266	H202-Y279 HydrophobicContact CB-CD2 3.44Å; H202-Y279 VanDerWaalsContact CB-CD2 3.44Å; H202-Y279 HydrophobicContact CB-CE2 3.99Å; H202-Y279 HydrophobicContact CB-CG 3.78Å; F206-Y279 HydrophobicContact CE2-CD2 4.13Å; F206-Y279 AromaticContact CE2-CE2 3.7Å; F206-Y279 HydrophobicContact CE2-CE2 3.7Å; F206-Y279 HydrophobicContact CZ-CE2 4.22Å; F211-Y279 HydrophobicContact CE2-CE2 4.27Å; F211-Y279 HydrophobicContact CZ-CE2 4.03Å; R228-Y279 WeakPolarHBondContact CG-O 3.19Å; F239-Y279 HydrophobicContact CB-CD1 3.94Å; F239-Y279 HydrophobicContact CB-CE1 4.34Å; F239-Y279 HydrophobicContact CB-CG 4.44Å; P266-Y279 WeakPolarHBondContact CD-OH 3.34Å; P266-Y279 HydrophobicContact CG-CE1 4.05Å
280	S	92.6	Very high	82.6	Confident	12 Å²	12	45.3 Å²	45.3	8%	0.084	24%	0.236	C	C	.	.			trans	-59.5	137.5	163.7	177.5	0	0	0	0	110	T232 C237 L238 L282	T232-S280 WeakPolarHBondContact CA-OG 3.01Å; C237-S280 WeakPolarHBondContact O-CB 3.47Å; L238-S280 VanDerWaalsContact O-CB 3.27Å; L238-S280 WeakPolarHBondContact O-CB 3.26Å; L238-S280 PolarHBondContact O-N 2.71Å; S280-L282 VanDerWaalsContact C-N 3.35Å; S280-L282 PolarHBondContact OG-N 3.45Å
281	L	86.8	Confident	82.1	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.226	C	C	.	.			trans	-93	7	178.5	-61.3	-167	0	0	0	113.1	M203 R228 T232 T283 C284 L288 P289	M203-L281 HydrophobicContact CE-CD1 4.11Å; M203-L281 HydrophobicContact SD-CD1 4.02Å; M203-L281 HydrophobicContact SD-CD2 3.65Å; M203-L281 HydrophobicContact SD-CG 4.46Å; R228-L281 HydrophobicContact CG-CG 4.21Å; T232-L281 HydrophobicContact CG2-CB 4Å; T232-L281 PolarHBondContact OG1-N 3.07Å; L281-T283 PolarHBondContact O-N 3.1Å; L281-T283 VanDerWaalsContact O-N 3.13Å; L281-C284 VanDerWaalsContact O-CB 3.27Å; L281-C284 WeakPolarHBondContact O-CB 3.23Å; L281-C284 PolarHBondContact O-N 3.11Å; L281-C284 PolarHBondContact O-SG 3.43Å; L281-L288 VanDerWaalsContact O-CD2 3.22Å; L281-L288 WeakPolarHBondContact O-CD2 3.3Å; L281-P289 HydrophobicContact CB-CG 4.17Å; L281-P289 HydrophobicContact CD1-CG 4.13Å
282	L	85.3	Confident	81.5	Confident	36 Å²	36	38.7 Å²	38.7	19%	0.188	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.6	-171.4	-166.4	61.7	0	0	0	113.2	K192 P193 T232 S280 L288	K192-L282 CarbonylContact C-O 3.59Å; K192-L282 HydrophobicContact CB-CD2 4.4Å; K192-L282 HydrophobicContact CB-CG 3.94Å; K192-L282 WeakPolarHBondContact CB-O 3.4Å; K192-L282 VanDerWaalsContact O-O 3.1Å; P193-L282 HydrophobicContact CB-CD1 4.26Å; P193-L282 HydrophobicContact CG-CD1 4.14Å; T232-L282 HydrophobicContact CG2-CB 4.31Å; S280-L282 VanDerWaalsContact C-N 3.35Å; S280-L282 PolarHBondContact OG-N 3.45Å; L282-L288 HydrophobicContact CD1-CD1 4.36Å
283	T	84.6	Confident	81.2	Confident	13 Å²	13	38 Å²	38	8%	0.08	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.9	176.3	56.1	0	0	0	0	114.1	I145 K192 I199 G200 L281	I145-T283 HydrophobicContact CD1-CG2 3.72Å; K192-T283 HydrophobicContact CD-CG2 3.97Å; K192-T283 HydrophobicContact CG-CG2 4.39Å; I199-T283 HydrophobicContact CD1-CG2 3.96Å; G200-T283 CarbonylContact C-O 3.56Å; G200-T283 WeakPolarHBondContact O-CB 3.27Å; G200-T283 PolarHBondContact O-OG1 2.9Å; L281-T283 PolarHBondContact O-N 3.1Å; L281-T283 VanDerWaalsContact O-N 3.13Å
284	C	68.9	Low	80.8	Confident	7 Å²	7	36.5 Å²	36.5	5%	0.047	19%	0.194	C	C	.	.			trans	-62.8	143.2	175.9	-67.9	0	0	0	0	111.7	A195 C201 L281 L288	A195-C284 WeakPolarHBondContact CA-O 3.46Å; C201-C284 HydrophobicContact CB-CB 3.95Å; C201-C284 WeakPolarHBondContact CB-SG 3.26Å; C201-C284 WeakPolarHBondContact SG-CA 3.34Å; C201-C284 WeakPolarHBondContact SG-CB 3.13Å; C201-C284 CovalentContact SG-SG 2.03Å; C201-C284 PolarHBondContact SG-SG 3.01Å; L281-C284 VanDerWaalsContact O-CB 3.27Å; L281-C284 WeakPolarHBondContact O-CB 3.23Å; L281-C284 PolarHBondContact O-N 3.11Å; L281-C284 PolarHBondContact O-SG 3.43Å; C284-L288 HydrophobicContact CB-CD2 4.3Å
285	K	62.4	Low	80.5	Confident	115 Å²	115	38.9 Å²	38.9	50%	0.5	20%	0.202	S	C	.	.	S	Bend	trans	-80.2	138.4	175.4	-68.9	175.7	-177.3	176.4	0	110.1	S197 E198 T287	S197-K285 WeakPolarHBondContact O-CE 3.06Å; S197-K285 VanDerWaalsContact O-CG 3.23Å; S197-K285 WeakPolarHBondContact O-CG 3.4Å; E198-K285 VanDerWaalsContact CA-CE 3.5Å; E198-K285 WeakPolarHBondContact O-CE 3.38Å; E198-K285 PolarHBondContact O-NZ 2.9Å; K285-T287 PolarHBondContact O-N 3.33Å
286	K	51.5	Low	80.4	Confident	120 Å²	120	40.7 Å²	40.7	52%	0.522	21%	0.211	S	C	.	.	S	Bend	trans	64.1	-34.2	172.2	-53.5	-179.1	-179.8	-177.8	0	118.3	A195 S506	A195-K286 VanDerWaalsContact CB-N 3.32Å; A195-K286 PolarHBondContact O-N 3.02Å; K286-S506 WeakPolarHBondContact CD-OG 3.27Å; K286-S506 WeakPolarHBondContact CE-OG 3.45Å; K286-S506 PolarHBondContact NZ-OG 2.82Å
287	T	54.7	Low	80.3	Confident	72 Å²	72	40.6 Å²	40.6	44%	0.442	21%	0.209	S	C	.	.			trans	-137.8	121.5	-176.4	-47	0	0	0	0	110.6	K285	K285-T287 PolarHBondContact O-N 3.33Å
288	L	60.9	Low	80.2	Confident	34 Å²	34	45.2 Å²	45.2	18%	0.178	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-98.3	154	169.7	-62.8	175.9	0	0	0	109	P193 A195 L281 L282 C284	P193-L288 VanDerWaalsContact O-CD1 3.3Å; P193-L288 WeakPolarHBondContact O-CD1 3.35Å; A195-L288 HydrophobicContact CB-CG 4.24Å; L281-L288 VanDerWaalsContact O-CD2 3.22Å; L281-L288 WeakPolarHBondContact O-CD2 3.3Å; L282-L288 HydrophobicContact CD1-CD1 4.36Å; C284-L288 HydrophobicContact CB-CD2 4.3Å
289	P	67.6	Low	80.3	Confident	30 Å²	30	46.6 Å²	46.6	20%	0.195	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-60.9	142.7	169.2	28.8	-35.5	0	0	0	109.7	T232 Y233 L281	T232-P289 HydrophobicContact CG2-CG 3.81Å; Y233-P289 HydrophobicContact CE2-CG 4.48Å; Y233-P289 WeakPolarHBondContact CE2-O 3.49Å; Y233-P289 PolarHBondContact OH-O 3.37Å; L281-P289 HydrophobicContact CB-CG 4.17Å; L281-P289 HydrophobicContact CD1-CG 4.13Å
290	E	76.6	Confident	80.5	Confident	56 Å²	56	44.9 Å²	44.9	26%	0.262	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-60.2	143.2	172.8	-70.7	174.5	-144.1	0	0	110.7	T229 C292 T384	T229-E290 WeakPolarHBondContact CG2-O 3.49Å; E290-C292 PolarHBondContact O-N 3.27Å; E290-T384 PolarHBondContact OE1-OG1 2.91Å
291	P	82.5	Confident	80.8	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-78	37.1	-179.7	32.7	-34.4	0	0	0	112.5	F53 Y233 L374	F53-P291 HydrophobicContact CD1-CB 4.48Å; F53-P291 HydrophobicContact CE1-CB 3.84Å; F53-P291 HydrophobicContact CE1-CG 3.9Å; Y233-P291 HydrophobicContact CD1-CB 4.39Å; Y233-P291 HydrophobicContact CD2-CB 3.97Å; Y233-P291 HydrophobicContact CE1-CB 4.12Å; Y233-P291 HydrophobicContact CE2-CB 3.66Å; Y233-P291 HydrophobicContact CG-CB 4.33Å; P291-L374 WeakPolarHBondContact CG-O 3.48Å; P291-L374 WeakPolarHBondContact O-CB 3.28Å
292	C	83.2	Confident	81.3	Confident	17 Å²	17	45.2 Å²	45.2	12%	0.115	25%	0.248	C	C	.	.	S	Bend	trans	-148.7	167.5	-177.4	82.1	0	0	0	0	112.7	E290 L374 C375	E290-C292 PolarHBondContact O-N 3.27Å; C292-L374 HydrophobicContact CB-CB 4.33Å; C292-C375 HydrophobicContact CB-CB 3.98Å; C292-C375 WeakPolarHBondContact CB-SG 3.31Å; C292-C375 WeakPolarHBondContact SG-CA 3.33Å; C292-C375 WeakPolarHBondContact SG-CB 3.39Å; C292-C375 CovalentContact SG-SG 2.03Å; C292-C375 PolarHBondContact SG-SG 3.4Å
293	H	86.3	Confident	81.8	Confident	33 Å²	33	43.9 Å²	43.9	15%	0.153	24%	0.243	C	C	.	.			trans	-133.1	102.7	-176.1	-64.1	-47.5	0	0	0	112.4	T229 Y370	T229-H293 VanDerWaalsContact CB-CE1 3.42Å; T229-H293 WeakPolarHBondContact CB-CE1 3.25Å; H293-Y370 HydrophobicContact CB-CD2 3.73Å; H293-Y370 HydrophobicContact CB-CE2 4.49Å; H293-Y370 HydrophobicContact CB-CG 4.07Å
294	S	85.6	Confident	82.4	Confident	86 Å²	86	44.5 Å²	44.5	60%	0.601	25%	0.252	S	S	*	.			trans	-83	-8.2	177.3	54.8	0	0	0	0	115.1	I296	S294-I296 PolarHBondContact O-N 2.93Å
295	K	87.5	Confident	83.8	Confident	100 Å²	100	49 Å²	49	44%	0.435	27%	0.272	S	S	.	.			trans	-70.2	131.2	178.7	-178.7	175.7	164.9	-166.5	0	110.9	D223 Y297	D223-K295 IonicContact OD2-NZ 2.8Å; D223-K295 PolarHBondContact OD2-NZ 2.92Å; K295-Y297 HydrophobicContact CB-CE2 4.17Å; K295-Y297 HydrophobicContact CD-CE1 3.81Å; K295-Y297 HydrophobicContact CD-CE2 4.42Å; K295-Y297 HydrophobicContact CG-CE1 4.21Å; K295-Y297 HydrophobicContact CG-CE2 4.06Å; K295-Y297 WeakPolarHBondContact O-CD2 3.36Å; K295-Y297 VanDerWaalsContact O-CE2 3.23Å; K295-Y297 WeakPolarHBondContact O-CE2 3.3Å
296	I	92.5	Very high	85.4	Confident	40 Å²	40	48.7 Å²	48.7	21%	0.205	27%	0.272	C	S	.	.			trans	-96.1	141.3	170.3	-61.3	175.1	0	0	0	108.6	S294 P298 V315 N316 S368	S294-I296 PolarHBondContact O-N 2.93Å; I296-P298 WeakPolarHBondContact O-CD 3.41Å; I296-V315 HydrophobicContact CD1-CG1 4.01Å; I296-V315 HydrophobicContact CD1-CG2 4.1Å; I296-V315 HydrophobicContact CG2-CG1 4.39Å; I296-V315 HydrophobicContact CG2-CG2 3.7Å; I296-N316 VanDerWaalsContact CD1-OD1 3.29Å; I296-N316 WeakPolarHBondContact CD1-OD1 3.01Å; I296-S368 CarbonylContact C-O 3.52Å; I296-S368 WeakPolarHBondContact CA-O 3.25Å
297	Y	94.7	Very high	87.4	Confident	15 Å²	15	45 Å²	45	6%	0.059	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	95.3	-174.8	-62.7	-92	0	0	0	109.3	P222 D223 V226 K295 F302 S367 S368 Y370	P222-Y297 HydrophobicContact CB-CD1 3.74Å; P222-Y297 HydrophobicContact CB-CD2 4.41Å; P222-Y297 HydrophobicContact CB-CE1 3.53Å; P222-Y297 HydrophobicContact CB-CE2 4.25Å; P222-Y297 HydrophobicContact CB-CG 4.18Å; P222-Y297 HydrophobicContact CG-CD1 4.18Å; P222-Y297 HydrophobicContact CG-CD2 4.23Å; P222-Y297 HydrophobicContact CG-CE1 3.59Å; P222-Y297 HydrophobicContact CG-CE2 3.66Å; P222-Y297 HydrophobicContact CG-CG 4.48Å; D223-Y297 PolarHBondContact OD2-OH 3Å; V226-Y297 VanDerWaalsContact CG2-OH 3.3Å; V226-Y297 WeakPolarHBondContact CG2-OH 3.42Å; K295-Y297 HydrophobicContact CB-CE2 4.17Å; K295-Y297 HydrophobicContact CD-CE1 3.81Å; K295-Y297 HydrophobicContact CD-CE2 4.42Å; K295-Y297 HydrophobicContact CG-CE1 4.21Å; K295-Y297 HydrophobicContact CG-CE2 4.06Å; K295-Y297 WeakPolarHBondContact O-CD2 3.36Å; K295-Y297 VanDerWaalsContact O-CE2 3.23Å; K295-Y297 WeakPolarHBondContact O-CE2 3.3Å; Y297-F302 HydrophobicContact CD2-CE2 4.3Å; Y297-F302 AromaticContact CD2-CZ 3.71Å; Y297-F302 HydrophobicContact CD2-CZ 3.71Å; Y297-F302 HydrophobicContact CE2-CZ 4.22Å; Y297-F302 HydrophobicContact CG-CZ 4.12Å; Y297-S367 WeakPolarHBondContact O-CA 3.22Å; Y297-S368 PolarHBondContact N-O 3.2Å; Y297-S368 PolarHBondContact O-N 3.39Å; Y297-Y370 HydrophobicContact CE2-CE2 4.44Å
298	P	95.6	Very high	89.4	Confident	98 Å²	98	44.9 Å²	44.9	64%	0.636	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.4	177.4	31.2	-35.1	0	0	0	111.2	I296 V300 S367	I296-P298 WeakPolarHBondContact O-CD 3.41Å; P298-V300 VanDerWaalsContact C-N 3.29Å; P298-S367 WeakPolarHBondContact CA-OG 3.4Å
299	G	95.7	Very high	91.1	Very high	28 Å²	28	45.4 Å²	45.4	29%	0.289	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.5	16.5	-178.9	0	0	0	0	0	114.1	Y362 G363 T364 G366	G299-Y362 CarbonylContact O-C 3.55Å; G299-Y362 WeakPolarHBondContact O-CA 3.44Å; G299-G363 PolarHBondContact O-N 2.92Å; G299-T364 WeakPolarHBondContact CA-O 3.41Å; G299-T364 PolarHBondContact O-N 2.74Å; G299-G366 PolarHBondContact N-O 3.13Å
300	V	95.9	Very high	92.5	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.5	-173.3	-174.2	0	0	0	0	111.2	P298 F302 I360 T361 Y362 T364 S368	P298-V300 VanDerWaalsContact C-N 3.29Å; V300-F302 HydrophobicContact CG1-CD1 3.91Å; V300-F302 HydrophobicContact CG1-CE1 3.67Å; V300-I360 HydrophobicContact CG1-CG2 3.52Å; V300-T361 CarbonylContact C-O 3.51Å; V300-T361 VanDerWaalsContact CA-O 3.3Å; V300-T361 WeakPolarHBondContact CA-O 3.46Å; V300-Y362 HydrophobicContact CG2-CD1 3.66Å; V300-Y362 HydrophobicContact CG2-CE1 3.66Å; V300-Y362 HydrophobicContact CG2-CG 4.36Å; V300-T364 WeakPolarHBondContact CA-OG1 3.3Å; V300-T364 PolarHBondContact N-OG1 3.45Å; V300-S368 WeakPolarHBondContact O-CB 3.39Å; V300-S368 PolarHBondContact O-N 3.44Å; V300-S368 PolarHBondContact O-OG 3.1Å
301	D	97.2	Very high	93.4	Very high	25 Å²	25	47 Å²	47	13%	0.134	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.6	168	175.3	58.8	0	0	0	111.3	T332 R350 I360 T361 T364 S368	D301-T332 HydrophobicContact CB-CG2 4.3Å; D301-T332 VanDerWaalsContact OD1-CB 3.29Å; D301-T332 WeakPolarHBondContact OD1-CB 3.49Å; D301-T332 WeakPolarHBondContact OD1-CG2 3.31Å; D301-T332 PolarHBondContact OD1-OG1 2.88Å; D301-R350 IonicContact OD1-CZ 3.77Å; D301-R350 IonicContact OD1-NH1 3.41Å; D301-R350 PolarHBondContact OD1-NH1 2.83Å; D301-R350 IonicContact OD1-NH2 3.83Å; D301-I360 WeakPolarHBondContact O-CA 3.32Å; D301-T361 PolarHBondContact N-O 3.45Å; D301-T361 PolarHBondContact O-N 2.97Å; D301-T364 HydrophobicContact CB-CG2 3.93Å; D301-T364 PolarHBondContact N-OG1 3.26Å; D301-S368 VanDerWaalsContact CA-OG 3.28Å; D301-S368 WeakPolarHBondContact CA-OG 3.16Å
302	F	98.1	Very high	94.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.4	172.7	-71	-5.8	0	0	0	111.1	P222 Y297 V300 F330 T332 R350 P357 I360 S368 Y370	P222-F302 HydrophobicContact CB-CE1 3.93Å; P222-F302 HydrophobicContact CB-CZ 3.79Å; P222-F302 HydrophobicContact CG-CE1 4.38Å; P222-F302 HydrophobicContact CG-CZ 3.79Å; Y297-F302 HydrophobicContact CD2-CE2 4.3Å; Y297-F302 AromaticContact CD2-CZ 3.71Å; Y297-F302 HydrophobicContact CD2-CZ 3.71Å; Y297-F302 HydrophobicContact CE2-CZ 4.22Å; Y297-F302 HydrophobicContact CG-CZ 4.12Å; V300-F302 HydrophobicContact CG1-CD1 3.91Å; V300-F302 HydrophobicContact CG1-CE1 3.67Å; F302-F330 HydrophobicContact CB-CD2 3.92Å; F302-F330 HydrophobicContact CB-CE2 4.4Å; F302-F330 HydrophobicContact CD2-CB 4.11Å; F302-T332 PolarHBondContact N-OG1 3.18Å; F302-T332 VanDerWaalsContact N-OG1 3.13Å; F302-R350 WeakPolarHBondContact O-CD 3.47Å; F302-R350 PolarHBondContact O-NH1 2.98Å; F302-P357 HydrophobicContact CB-CB 3.91Å; F302-P357 HydrophobicContact CB-CG 3.79Å; F302-P357 HydrophobicContact CD1-CB 4.37Å; F302-P357 HydrophobicContact CD1-CG 3.94Å; F302-P357 HydrophobicContact CD2-CG 3.67Å; F302-P357 HydrophobicContact CE1-CG 4.47Å; F302-P357 HydrophobicContact CE2-CG 4.24Å; F302-P357 HydrophobicContact CG-CB 4.08Å; F302-P357 HydrophobicContact CG-CG 3.52Å; F302-I360 HydrophobicContact CD1-CD1 4.49Å; F302-I360 HydrophobicContact CD1-CG1 4.07Å; F302-I360 HydrophobicContact CD1-CG2 4.19Å; F302-I360 HydrophobicContact CE1-CD1 4.25Å; F302-I360 HydrophobicContact CE1-CG1 4.27Å; F302-I360 HydrophobicContact CE1-CG2 4.05Å; F302-S368 VanDerWaalsContact CG-CB 3.48Å; F302-S368 PolarHBondContact N-OG 2.83Å; F302-S368 VanDerWaalsContact N-OG 3.09Å; F302-Y370 HydrophobicContact CE2-CD2 4.13Å; F302-Y370 AromaticContact CE2-CE2 3.68Å; F302-Y370 HydrophobicContact CE2-CE2 3.68Å; F302-Y370 HydrophobicContact CZ-CE2 4.17Å
303	G	96.8	Very high	94.7	Very high	8 Å²	8	51.4 Å²	51.4	8%	0.082	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	146.2	173.9	0	0	0	0	0	112.8	F330 P357 T358 R359	G303-F330 WeakPolarHBondContact O-CE2 3.11Å; G303-P357 CarbonylContact O-C 3.43Å; G303-P357 WeakPolarHBondContact O-CA 3.36Å; G303-T358 PolarHBondContact O-N 2.84Å; G303-T358 PolarHBondContact O-OG1 3.18Å; G303-R359 PolarHBondContact N-O 2.83Å
304	G	96.9	Very high	95	Very high	26 Å²	26	51 Å²	51	27%	0.268	29%	0.287	S	S	.	.			trans	179.8	-179.6	178.8	0	0	0	0	0	111.4	L351	G304-L351 CarbonylContact C-O 3.54Å; G304-L351 WeakPolarHBondContact CA-O 3.37Å
305	E	97	Very high	95.4	Very high	101 Å²	101	48.5 Å²	48.5	47%	0.472	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.6	167.8	-176.1	-173.9	152.5	0	0	109	R350 L351	E305-R350 CarbonylContact O-C 3.58Å; E305-R350 WeakPolarHBondContact O-CA 3.28Å; E305-R350 WeakPolarHBondContact O-CB 3.14Å; E305-L351 HydrophobicContact CB-CD2 3.83Å; E305-L351 HydrophobicContact CB-CG 4.2Å; E305-L351 HydrophobicContact CG-CD2 3.87Å; E305-L351 PolarHBondContact N-O 3.32Å; E305-L351 PolarHBondContact O-N 2.92Å
306	E	97.1	Very high	95.6	Very high	109 Å²	109	49.1 Å²	49.1	51%	0.509	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.9	-179.4	-172.3	168.4	106.7	0	0	111.2	V309 F348	E306-V309 VanDerWaalsContact CD-CG2 3.41Å; E306-V309 HydrophobicContact CG-CG2 4.07Å; E306-V309 WeakPolarHBondContact OE1-CG2 2.96Å; E306-F348 WeakPolarHBondContact OE2-CD1 3.33Å
307	L	94.1	Very high	95.7	Very high	43 Å²	43	50 Å²	50	23%	0.225	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-45.6	176.1	-79.8	166.4	0	0	0	112.5	M325 R327 C328 L349 L351	L307-M325 HydrophobicContact CB-SD 4.15Å; L307-M325 HydrophobicContact CD1-SD 4.38Å; L307-R327 HydrophobicContact CD1-CB 4.02Å; L307-R327 HydrophobicContact CD2-CB 4.25Å; L307-C328 VanDerWaalsContact CD1-CA 3.45Å; L307-C328 HydrophobicContact CD1-CB 3.95Å; L307-L349 HydrophobicContact CB-CB 4.33Å; L307-L349 WeakPolarHBondContact CB-O 3.06Å; L307-L349 PolarHBondContact N-O 2.85Å; L307-L351 HydrophobicContact CD1-CB 4.34Å; L307-L351 HydrophobicContact CD1-CD2 3.94Å; L307-L351 HydrophobicContact CD2-CD2 3.65Å; L307-L351 HydrophobicContact CG-CD2 3.5Å
308	N	95.8	Very high	95.8	Very high	69 Å²	69	49.3 Å²	49.3	37%	0.369	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	155.2	-173.7	-167.1	14.5	0	0	0	110	T310 M325 L349	N308-T310 WeakPolarHBondContact ND2-CG2 3.49Å; N308-M325 HydrophobicContact CB-CE 4.02Å; N308-M325 HydrophobicContact CB-SD 4.33Å; N308-L349 HydrophobicContact CB-CD1 4.24Å; N308-L349 WeakPolarHBondContact O-CB 3.5Å; N308-L349 PolarHBondContact O-N 2.79Å
309	V	97	Very high	95.8	Very high	45 Å²	45	45.5 Å²	45.5	27%	0.273	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.9	173	-173.1	0	0	0	0	109	E306 K346 C347 F348	E306-V309 VanDerWaalsContact CD-CG2 3.41Å; E306-V309 HydrophobicContact CG-CG2 4.07Å; E306-V309 WeakPolarHBondContact OE1-CG2 2.96Å; V309-K346 HydrophobicContact CG1-CB 3.85Å; V309-K346 HydrophobicContact CG1-CD 4.03Å; V309-K346 HydrophobicContact CG1-CG 3.92Å; V309-C347 WeakPolarHBondContact CA-O 3.42Å; V309-F348 HydrophobicContact CB-CD1 4.4Å; V309-F348 HydrophobicContact CG1-CD1 3.99Å; V309-F348 HydrophobicContact CG1-CE1 3.96Å; V309-F348 HydrophobicContact CG1-CG 4.4Å; V309-F348 HydrophobicContact CG1-CZ 4.34Å; V309-F348 HydrophobicContact CG2-CD1 3.49Å; V309-F348 VanDerWaalsContact CG2-CD1 3.49Å; V309-F348 HydrophobicContact CG2-CE1 3.87Å; V309-F348 HydrophobicContact CG2-CG 4.34Å
310	T	95.6	Very high	95.6	Very high	35 Å²	35	48.6 Å²	48.6	22%	0.215	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.5	-175.8	58.5	0	0	0	0	111.3	N308 C347	N308-T310 WeakPolarHBondContact ND2-CG2 3.49Å; T310-C347 PolarHBondContact N-O 3.21Å; T310-C347 WeakPolarHBondContact O-CB 3.34Å; T310-C347 PolarHBondContact O-N 2.6Å
311	F	96.9	Very high	95.5	Very high	85 Å²	85	50.1 Å²	50.1	37%	0.373	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115.6	174.7	-76	-91.5	0	0	0	110	D339 K341 K344 K346	F311-D339 WeakPolarHBondContact CE1-O 3.33Å; F311-K341 HydrophobicContact CD1-CB 4.43Å; F311-K341 HydrophobicContact CD1-CG 4.49Å; F311-K341 HydrophobicContact CE1-CB 4.29Å; F311-K341 HydrophobicContact CE1-CD 4.01Å; F311-K341 HydrophobicContact CE1-CG 3.89Å; F311-K341 HydrophobicContact CZ-CD 4.12Å; F311-K341 HydrophobicContact CZ-CG 4.43Å; F311-K344 HydrophobicContact CB-CB 4.13Å; F311-K346 HydrophobicContact CD1-CG 4.43Å; F311-K346 HydrophobicContact CE1-CG 3.84Å; F311-K346 HydrophobicContact CE2-CG 4.25Å; F311-K346 HydrophobicContact CZ-CD 4.42Å; F311-K346 HydrophobicContact CZ-CG 3.73Å
312	V	96.1	Very high	95.4	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.5	-176.9	-55	0	0	0	0	111.5	G314 V317 C318 Y333 K344 C345 C347	V312-G314 PolarHBondContact O-N 3.39Å; V312-V317 HydrophobicContact CB-CB 4.29Å; V312-V317 HydrophobicContact CB-CG1 3.97Å; V312-V317 HydrophobicContact CG1-CG1 4.37Å; V312-C318 HydrophobicContact CG2-CB 3.8Å; V312-Y333 HydrophobicContact CG2-CD2 3.88Å; V312-Y333 HydrophobicContact CG2-CE2 3.64Å; V312-Y333 WeakPolarHBondContact O-CE2 3.4Å; V312-Y333 PolarHBondContact O-OH 2.7Å; V312-K344 VanDerWaalsContact O-CA 3.29Å; V312-K344 WeakPolarHBondContact O-CA 3.44Å; V312-C345 PolarHBondContact N-O 2.82Å; V312-C345 PolarHBondContact O-N 3.36Å; V312-C347 HydrophobicContact CG1-CB 4.22Å; V312-C347 HydrophobicContact CG2-CB 3.59Å
313	K	95.3	Very high	95.1	Very high	115 Å²	115	50.2 Å²	50.2	50%	0.5	27%	0.271	S	S	.	.	S	Bend	trans	-86.5	87	178.4	-174.5	167.1	-177.3	169.8	0	110.2	V317 E343 K344	K313-V317 VanDerWaalsContact O-CG2 3.27Å; K313-V317 WeakPolarHBondContact O-CG2 3.32Å; K313-E343 HydrophobicContact CD-CB 4.24Å; K313-E343 WeakPolarHBondContact CE-OE2 3.4Å; K313-E343 IonicContact NZ-OE1 2.81Å; K313-E343 PolarHBondContact NZ-OE1 2.03Å; K313-E343 IonicContact NZ-OE2 2.63Å; K313-E343 PolarHBondContact NZ-OE2 3.1Å; K313-K344 HydrophobicContact CB-CG 4.35Å
314	G	93.6	Very high	94.7	Very high	25 Å²	25	55.2 Å²	55.2	26%	0.258	29%	0.291	S	S	.	.	S	Bend	trans	88.8	162.4	172.8	0	0	0	0	0	116.2	V312 N316 V317 C318 Y333	V312-G314 PolarHBondContact O-N 3.39Å; G314-N316 PolarHBondContact O-N 3.03Å; G314-V317 PolarHBondContact O-N 2.95Å; G314-C318 PolarHBondContact O-N 3.22Å; G314-Y333 WeakPolarHBondContact CA-OH 3.24Å; G314-Y333 PolarHBondContact N-OH 3.36Å; G314-Y333 VanDerWaalsContact N-OH 3.09Å
315	V	94.7	Very high	94.4	Very high	32 Å²	32	56.9 Å²	56.9	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-33.3	-170	68.1	0	0	0	0	114.3	I296 C318 Q319 F331 Y333	I296-V315 HydrophobicContact CD1-CG1 4.01Å; I296-V315 HydrophobicContact CD1-CG2 4.1Å; I296-V315 HydrophobicContact CG2-CG1 4.39Å; I296-V315 HydrophobicContact CG2-CG2 3.7Å; V315-C318 VanDerWaalsContact O-CB 3.31Å; V315-C318 WeakPolarHBondContact O-CB 3.07Å; V315-C318 PolarHBondContact O-N 3.29Å; V315-Q319 PolarHBondContact O-N 3.2Å; V315-F331 HydrophobicContact CG2-CE2 3.75Å; V315-F331 HydrophobicContact CG2-CZ 4.27Å; V315-Y333 HydrophobicContact CB-CD1 4.02Å; V315-Y333 HydrophobicContact CB-CG 4.17Å; V315-Y333 HydrophobicContact CG2-CG 4.45Å
316	N	91.9	Very high	94	Very high	114 Å²	114	54.4 Å²	54.4	61%	0.61	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-39.9	178	-65.8	-7	0	0	0	111.5	I296 G314 C318 Q319 E320	I296-N316 VanDerWaalsContact CD1-OD1 3.29Å; I296-N316 WeakPolarHBondContact CD1-OD1 3.01Å; G314-N316 PolarHBondContact O-N 3.03Å; N316-C318 VanDerWaalsContact C-N 3.28Å; N316-C318 PolarHBondContact O-N 2.03Å; N316-Q319 WeakPolarHBondContact O-CB 3.29Å; N316-Q319 PolarHBondContact O-N 3.27Å; N316-E320 PolarHBondContact O-N 3.31Å
317	V	93.9	Very high	93.9	Very high	58 Å²	58	50.7 Å²	50.7	35%	0.352	26%	0.263	S	S	.	.	H	α-helix	trans	-68.9	-31.3	174.9	-174.2	0	0	0	0	110.4	V312 K313 G314 E320 T321	V312-V317 HydrophobicContact CB-CB 4.29Å; V312-V317 HydrophobicContact CB-CG1 3.97Å; V312-V317 HydrophobicContact CG1-CG1 4.37Å; K313-V317 VanDerWaalsContact O-CG2 3.27Å; K313-V317 WeakPolarHBondContact O-CG2 3.32Å; G314-V317 PolarHBondContact O-N 2.95Å; V317-E320 PolarHBondContact O-N 2.83Å; V317-T321 VanDerWaalsContact O-CB 3.3Å; V317-T321 WeakPolarHBondContact O-CB 3.43Å; V317-T321 PolarHBondContact O-N 2.63Å; V317-T321 PolarHBondContact O-OG1 3.4Å
318	C	96	Very high	94	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-44.3	170.9	-173.2	0	0	0	0	112.1	V312 G314 V315 N316 E320 T321 C322 F331 Y333 C347	V312-C318 HydrophobicContact CG2-CB 3.8Å; G314-C318 PolarHBondContact O-N 3.22Å; V315-C318 VanDerWaalsContact O-CB 3.31Å; V315-C318 WeakPolarHBondContact O-CB 3.07Å; V315-C318 PolarHBondContact O-N 3.29Å; N316-C318 VanDerWaalsContact C-N 3.28Å; N316-C318 PolarHBondContact O-N 2.03Å; C318-E320 PolarHBondContact O-N 2.68Å; C318-T321 PolarHBondContact O-N 3.41Å; C318-C322 PolarHBondContact O-N 2.98Å; C318-F331 HydrophobicContact CB-CD2 4.11Å; C318-F331 HydrophobicContact CB-CE2 4.24Å; C318-F331 WeakPolarHBondContact SG-CD2 3.43Å; C318-Y333 HydrophobicContact CB-CD2 3.88Å; C318-Y333 HydrophobicContact CB-CG 4.34Å; C318-C347 WeakPolarHBondContact CA-SG 3.32Å; C318-C347 HydrophobicContact CB-CB 3.73Å; C318-C347 WeakPolarHBondContact CB-SG 3.48Å; C318-C347 VanDerWaalsContact SG-CA 3.54Å; C318-C347 WeakPolarHBondContact SG-CB 3.2Å; C318-C347 CovalentContact SG-SG 2.02Å; C318-C347 PolarHBondContact SG-SG 2.8Å
319	Q	95.4	Very high	94.1	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-42.7	173.6	-175.6	164.1	50.1	0	0	112.5	V315 N316 T321 C322 T323 F331 Y370 L372	V315-Q319 PolarHBondContact O-N 3.2Å; N316-Q319 WeakPolarHBondContact O-CB 3.29Å; N316-Q319 PolarHBondContact O-N 3.27Å; Q319-T321 VanDerWaalsContact C-N 3.33Å; Q319-C322 PolarHBondContact O-N 3.4Å; Q319-T323 VanDerWaalsContact O-CB 3.32Å; Q319-T323 WeakPolarHBondContact O-CB 3.33Å; Q319-T323 PolarHBondContact O-N 2.79Å; Q319-T323 PolarHBondContact O-OG1 2.71Å; Q319-F331 VanDerWaalsContact CA-CE1 3.47Å; Q319-F331 HydrophobicContact CB-CD1 4.37Å; Q319-F331 HydrophobicContact CB-CE1 3.47Å; Q319-F331 VanDerWaalsContact CB-CE1 3.47Å; Q319-F331 HydrophobicContact CB-CZ 3.58Å; Q319-F331 HydrophobicContact CG-CE1 3.67Å; Q319-F331 HydrophobicContact CG-CZ 4.17Å; Q319-Y370 PolarHBondContact NE2-O 2.87Å; Q319-L372 HydrophobicContact CG-CD1 4.33Å; Q319-L372 HydrophobicContact CG-CG 4.11Å
320	E	91.6	Very high	94.1	Very high	94 Å²	94	43.5 Å²	43.5	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-40.6	176.3	-166.6	-171.6	174.7	0	0	111.2	N316 V317 C318 T323 K324	N316-E320 PolarHBondContact O-N 3.31Å; V317-E320 PolarHBondContact O-N 2.83Å; C318-E320 PolarHBondContact O-N 2.68Å; E320-T323 WeakPolarHBondContact O-CA 3.36Å; E320-T323 WeakPolarHBondContact O-CB 3.21Å; E320-T323 PolarHBondContact O-N 3.34Å; E320-T323 VanDerWaalsContact O-N 3.11Å; E320-K324 HydrophobicContact CG-CD 4.38Å; E320-K324 WeakPolarHBondContact O-CG 3.3Å; E320-K324 PolarHBondContact O-N 3.02Å; E320-K324 WeakPolarHBondContact OE1-CE 3.32Å; E320-K324 IonicContact OE1-NZ 2.61Å; E320-K324 PolarHBondContact OE1-NZ 2.91Å
321	T	94.1	Very high	94.3	Very high	37 Å²	37	41.9 Å²	41.9	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-44.3	177	-57.8	0	0	0	0	111.3	V317 C318 Q319 T323 K324 M325 L349	V317-T321 VanDerWaalsContact O-CB 3.3Å; V317-T321 WeakPolarHBondContact O-CB 3.43Å; V317-T321 PolarHBondContact O-N 2.63Å; V317-T321 PolarHBondContact O-OG1 3.4Å; C318-T321 PolarHBondContact O-N 3.41Å; Q319-T321 VanDerWaalsContact C-N 3.33Å; T321-T323 VanDerWaalsContact C-N 3.29Å; T321-T323 PolarHBondContact O-N 2.85Å; T321-K324 PolarHBondContact O-N 3.05Å; T321-M325 PolarHBondContact O-N 3.25Å; T321-L349 HydrophobicContact CG2-CD1 3.97Å; T321-L349 HydrophobicContact CG2-CD2 4.39Å
322	C	95.6	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-31.6	170.9	-173.1	0	0	0	0	112.8	C318 Q319 M325 C328 F331 L349 S371	C318-C322 PolarHBondContact O-N 2.98Å; Q319-C322 PolarHBondContact O-N 3.4Å; C322-M325 VanDerWaalsContact O-O 3.07Å; C322-C328 VanDerWaalsContact CA-SG 3.54Å; C322-C328 HydrophobicContact CB-CB 4.01Å; C322-C328 WeakPolarHBondContact CB-SG 3.11Å; C322-C328 WeakPolarHBondContact O-CB 3.33Å; C322-C328 WeakPolarHBondContact SG-CB 3.34Å; C322-C328 CovalentContact SG-SG 2.04Å; C322-C328 PolarHBondContact SG-SG 2.85Å; C322-F331 HydrophobicContact CB-CB 4.16Å; C322-F331 HydrophobicContact CB-CD1 3.97Å; C322-F331 HydrophobicContact CB-CG 4.39Å; C322-L349 HydrophobicContact CB-CD2 3.75Å; C322-S371 PolarHBondContact O-OG 3.13Å
323	T	92.3	Very high	94.4	Very high	27 Å²	27	38.1 Å²	38.1	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-70.9	-41.2	177.6	-61.7	0	0	0	0	111.6	Q103 Q319 E320 T321 S371 L372	Q103-T323 PolarHBondContact NE2-O 2.86Å; Q319-T323 VanDerWaalsContact O-CB 3.32Å; Q319-T323 WeakPolarHBondContact O-CB 3.33Å; Q319-T323 PolarHBondContact O-N 2.79Å; Q319-T323 PolarHBondContact O-OG1 2.71Å; E320-T323 WeakPolarHBondContact O-CA 3.36Å; E320-T323 WeakPolarHBondContact O-CB 3.21Å; E320-T323 PolarHBondContact O-N 3.34Å; E320-T323 VanDerWaalsContact O-N 3.11Å; T321-T323 VanDerWaalsContact C-N 3.29Å; T321-T323 PolarHBondContact O-N 2.85Å; T323-S371 WeakPolarHBondContact CA-OG 3.31Å; T323-L372 HydrophobicContact CG2-CB 3.82Å; T323-L372 PolarHBondContact OG1-N 3.44Å
324	K	87	Confident	94.5	Very high	114 Å²	114	33 Å²	33	50%	0.496	17%	0.174	S	C	.	.	H	α-helix	trans	-70.1	-38.1	175.4	-71.1	173.6	-177.5	170.8	0	112	C19 Q103 E320 T321 I326	C19-K324 PolarHBondContact SG-O 3.38Å; Q103-K324 PolarHBondContact NE2-O 2.74Å; E320-K324 HydrophobicContact CG-CD 4.38Å; E320-K324 WeakPolarHBondContact O-CG 3.3Å; E320-K324 PolarHBondContact O-N 3.02Å; E320-K324 WeakPolarHBondContact OE1-CE 3.32Å; E320-K324 IonicContact OE1-NZ 2.61Å; E320-K324 PolarHBondContact OE1-NZ 2.91Å; T321-K324 PolarHBondContact O-N 3.05Å; K324-I326 PolarHBondContact O-N 3.18Å
325	M	91.4	Very high	94.5	Very high	61 Å²	61	35.9 Å²	35.9	30%	0.3	18%	0.183	S	C	.	.	S	Bend	trans	-74.2	92.5	172.6	-173.4	170.5	-68.9	0	0	110.7	L307 N308 T321 C322 R327 C328 L349	L307-M325 HydrophobicContact CB-SD 4.15Å; L307-M325 HydrophobicContact CD1-SD 4.38Å; N308-M325 HydrophobicContact CB-CE 4.02Å; N308-M325 HydrophobicContact CB-SD 4.33Å; T321-M325 PolarHBondContact O-N 3.25Å; C322-M325 VanDerWaalsContact O-O 3.07Å; M325-R327 PolarHBondContact O-N 2.88Å; M325-C328 HydrophobicContact CB-CB 4.05Å; M325-C328 HydrophobicContact CG-CB 4.2Å; M325-C328 WeakPolarHBondContact O-CB 3.22Å; M325-C328 PolarHBondContact O-N 2.85Å; M325-L349 HydrophobicContact CB-CD1 4.27Å; M325-L349 HydrophobicContact CE-CD1 3.71Å; M325-L349 HydrophobicContact SD-CB 4.43Å; M325-L349 HydrophobicContact SD-CD1 3.63Å
326	I	89.5	Confident	94.5	Very high	49 Å²	49	37 Å²	37	25%	0.251	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.4	-171.2	-162.9	162.8	0	0	0	115.4	L58 K102 Q103 K324 R373	L58-I326 HydrophobicContact CD2-CG1 4.1Å; L58-I326 HydrophobicContact CD2-CG2 4.04Å; K102-I326 HydrophobicContact CB-CD1 3.94Å; K102-I326 HydrophobicContact CB-CG1 3.94Å; K102-I326 HydrophobicContact CD-CG1 4.4Å; Q103-I326 HydrophobicContact CG-CD1 4.42Å; Q103-I326 HydrophobicContact CG-CG1 4.41Å; K324-I326 PolarHBondContact O-N 3.18Å; I326-R373 VanDerWaalsContact O-CD 3.26Å; I326-R373 WeakPolarHBondContact O-CD 3.33Å; I326-R373 PolarHBondContact O-NH1 2.79Å
327	R	94.1	Very high	94.5	Very high	30 Å²	30	36.1 Å²	36.1	11%	0.113	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-25.9	174.5	-64.9	-177	82.9	-123.5	-3.8	114.3	L58 D81 S82 L307 M325 Q329 R373	L58-R327 HydrophobicContact CD1-CG 3.68Å; L58-R327 HydrophobicContact CD2-CG 4.27Å; L58-R327 HydrophobicContact CG-CG 4.45Å; D81-R327 IonicContact OD1-CZ 3.88Å; D81-R327 IonicContact OD1-NE 2.78Å; D81-R327 PolarHBondContact OD1-NE 2.83Å; D81-R327 IonicContact OD1-NH2 3.54Å; D81-R327 PolarHBondContact OD1-NH2 2.84Å; D81-R327 IonicContact OD2-CZ 3.76Å; D81-R327 IonicContact OD2-NE 3.32Å; D81-R327 IonicContact OD2-NH2 3.23Å; D81-R327 PolarHBondContact OD2-NH2 3.27Å; S82-R327 WeakPolarHBondContact O-CD 3.45Å; S82-R327 PolarHBondContact O-NE 2.84Å; L307-R327 HydrophobicContact CD1-CB 4.02Å; L307-R327 HydrophobicContact CD2-CB 4.25Å; M325-R327 PolarHBondContact O-N 2.88Å; R327-Q329 PolarHBondContact O-N 3.43Å; R327-R373 PolarHBondContact O-NH1 2.93Å
328	C	96.4	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.			trans	-66.8	123	178.2	-175.8	0	0	0	0	110.2	L307 C322 M325 F330 L349 S371 R373	L307-C328 VanDerWaalsContact CD1-CA 3.45Å; L307-C328 HydrophobicContact CD1-CB 3.95Å; C322-C328 VanDerWaalsContact CA-SG 3.54Å; C322-C328 HydrophobicContact CB-CB 4.01Å; C322-C328 WeakPolarHBondContact CB-SG 3.11Å; C322-C328 WeakPolarHBondContact O-CB 3.33Å; C322-C328 WeakPolarHBondContact SG-CB 3.34Å; C322-C328 CovalentContact SG-SG 2.04Å; C322-C328 PolarHBondContact SG-SG 2.85Å; M325-C328 HydrophobicContact CB-CB 4.05Å; M325-C328 HydrophobicContact CG-CB 4.2Å; M325-C328 WeakPolarHBondContact O-CB 3.22Å; M325-C328 PolarHBondContact O-N 2.85Å; C328-F330 PolarHBondContact SG-O 3.11Å; C328-L349 HydrophobicContact CB-CB 4.28Å; C328-S371 WeakPolarHBondContact O-CB 3.47Å; C328-S371 PolarHBondContact O-OG 3.36Å; C328-R373 VanDerWaalsContact C-NH1 3.32Å; C328-R373 PolarHBondContact O-NH1 2.88Å
329	Q	97.4	Very high	94.4	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.033	21%	0.205	C	C	.	.			trans	-96.9	-39.3	-179.7	-72.4	165	-2.6	0	0	110.5	P55 R327 R350 L351 S352 G355 S371 R373	P55-Q329 PolarHBondContact O-NE2 3.39Å; R327-Q329 PolarHBondContact O-N 3.43Å; Q329-R350 PolarHBondContact N-O 2.84Å; Q329-L351 HydrophobicContact CB-CB 4.5Å; Q329-L351 HydrophobicContact CG-CB 4.16Å; Q329-S352 PolarHBondContact NE2-O 3.1Å; Q329-S352 PolarHBondContact OE1-O 2.78Å; Q329-S352 PolarHBondContact OE1-OG 3.42Å; Q329-G355 VanDerWaalsContact OE1-CA 3.31Å; Q329-S371 WeakPolarHBondContact O-CB 3.28Å; Q329-S371 PolarHBondContact O-N 3.46Å; Q329-R373 VanDerWaalsContact CG-NH2 3.33Å
330	F	98.1	Very high	94.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.2	-178.5	49.8	-97.1	0	0	0	110.6	F302 G303 C328 R350 S356 P357 G369 Y370	F302-F330 HydrophobicContact CB-CD2 3.92Å; F302-F330 HydrophobicContact CB-CE2 4.4Å; F302-F330 HydrophobicContact CD2-CB 4.11Å; G303-F330 WeakPolarHBondContact O-CE2 3.11Å; C328-F330 PolarHBondContact SG-O 3.11Å; F330-R350 HydrophobicContact CD2-CB 3.85Å; F330-R350 HydrophobicContact CE2-CB 3.59Å; F330-R350 HydrophobicContact CZ-CB 4.41Å; F330-R350 PolarHBondContact N-O 3Å; F330-R350 PolarHBondContact O-N 3.31Å; F330-S356 WeakPolarHBondContact CE1-O 3.44Å; F330-P357 HydrophobicContact CD2-CG 4.48Å; F330-P357 HydrophobicContact CE2-CB 4.49Å; F330-P357 HydrophobicContact CG-CG 4.47Å; F330-G369 CarbonylContact C-O 3.54Å; F330-G369 VanDerWaalsContact CA-O 3.23Å; F330-G369 WeakPolarHBondContact CA-O 3.21Å; F330-G369 VanDerWaalsContact CB-O 3.26Å; F330-G369 WeakPolarHBondContact CB-O 3.41Å; F330-Y370 HydrophobicContact CB-CD1 4Å; F330-Y370 HydrophobicContact CB-CE1 4.36Å; F330-Y370 HydrophobicContact CB-CG 4.49Å; F330-Y370 HydrophobicContact CD1-CE1 4.5Å
331	F	98.4	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.2	-174.6	68.6	-89.2	0	0	0	111.9	V315 C318 Q319 C322 F348 L349 S368 G369	V315-F331 HydrophobicContact CG2-CE2 3.75Å; V315-F331 HydrophobicContact CG2-CZ 4.27Å; C318-F331 HydrophobicContact CB-CD2 4.11Å; C318-F331 HydrophobicContact CB-CE2 4.24Å; C318-F331 WeakPolarHBondContact SG-CD2 3.43Å; Q319-F331 VanDerWaalsContact CA-CE1 3.47Å; Q319-F331 HydrophobicContact CB-CD1 4.37Å; Q319-F331 HydrophobicContact CB-CE1 3.47Å; Q319-F331 VanDerWaalsContact CB-CE1 3.47Å; Q319-F331 HydrophobicContact CB-CZ 3.58Å; Q319-F331 HydrophobicContact CG-CE1 3.67Å; Q319-F331 HydrophobicContact CG-CZ 4.17Å; C322-F331 HydrophobicContact CB-CB 4.16Å; C322-F331 HydrophobicContact CB-CD1 3.97Å; C322-F331 HydrophobicContact CB-CG 4.39Å; F331-F348 WeakPolarHBondContact CA-O 3.46Å; F331-F348 WeakPolarHBondContact CB-O 3.28Å; F331-L349 HydrophobicContact CB-CD2 4.32Å; F331-S368 WeakPolarHBondContact O-CA 3.43Å; F331-S368 WeakPolarHBondContact O-CB 3.47Å; F331-G369 VanDerWaalsContact CD1-O 3.26Å; F331-G369 WeakPolarHBondContact CD1-O 3.27Å; F331-G369 VanDerWaalsContact CE1-CA 3.45Å; F331-G369 WeakPolarHBondContact CE1-O 3.4Å; F331-G369 PolarHBondContact N-O 2.62Å; F331-G369 PolarHBondContact O-N 3.42Å
332	T	98.5	Very high	94	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.7	157.9	-54.8	0	0	0	0	109	D301 F302 F348 R350 S368	D301-T332 HydrophobicContact CB-CG2 4.3Å; D301-T332 VanDerWaalsContact OD1-CB 3.29Å; D301-T332 WeakPolarHBondContact OD1-CB 3.49Å; D301-T332 WeakPolarHBondContact OD1-CG2 3.31Å; D301-T332 PolarHBondContact OD1-OG1 2.88Å; F302-T332 PolarHBondContact N-OG1 3.18Å; F302-T332 VanDerWaalsContact N-OG1 3.13Å; T332-F348 PolarHBondContact N-O 3.08Å; T332-F348 VanDerWaalsContact N-O 3.08Å; T332-F348 PolarHBondContact O-N 2.84Å; T332-R350 PolarHBondContact OG1-NH1 2.83Å; T332-S368 PolarHBondContact OG1-OG 3.23Å
333	Y	98	Very high	93.7	Very high	13 Å²	13	57.1 Å²	57.1	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121	165.1	-177.4	-105.6	0	0	0	108.7	V312 G314 V315 C318 L335 C345 C347 G366 S367	V312-Y333 HydrophobicContact CG2-CD2 3.88Å; V312-Y333 HydrophobicContact CG2-CE2 3.64Å; V312-Y333 WeakPolarHBondContact O-CE2 3.4Å; V312-Y333 PolarHBondContact O-OH 2.7Å; G314-Y333 WeakPolarHBondContact CA-OH 3.24Å; G314-Y333 PolarHBondContact N-OH 3.36Å; G314-Y333 VanDerWaalsContact N-OH 3.09Å; V315-Y333 HydrophobicContact CB-CD1 4.02Å; V315-Y333 HydrophobicContact CB-CG 4.17Å; V315-Y333 HydrophobicContact CG2-CG 4.45Å; C318-Y333 HydrophobicContact CB-CD2 3.88Å; C318-Y333 HydrophobicContact CB-CG 4.34Å; Y333-L335 HydrophobicContact CD1-CD2 4.07Å; Y333-L335 HydrophobicContact CD1-CG 4.41Å; Y333-L335 HydrophobicContact CE1-CD2 3.63Å; Y333-L335 HydrophobicContact CE1-CG 4.43Å; Y333-C345 HydrophobicContact CE1-CB 4.26Å; Y333-C345 HydrophobicContact CE2-CB 3.89Å; Y333-C345 WeakPolarHBondContact OH-CB 3.28Å; Y333-C345 PolarHBondContact OH-N 2.8Å; Y333-C345 PolarHBondContact OH-SG 2.8Å; Y333-C347 HydrophobicContact CD2-CB 4.34Å; Y333-G366 CarbonylContact O-C 3.51Å; Y333-G366 WeakPolarHBondContact O-CA 3.43Å; Y333-S367 PolarHBondContact N-O 3.19Å; Y333-S367 PolarHBondContact O-N 3.27Å
334	S	96.9	Very high	93.8	Very high	7 Å²	7	60.8 Å²	60.8	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.3	178.7	-173.2	0	0	0	0	111.6	L336 D339 C345 K346	S334-L336 PolarHBondContact OG-N 3.06Å; S334-D339 WeakPolarHBondContact CB-OD2 3.26Å; S334-D339 WeakPolarHBondContact OG-CB 3.25Å; S334-D339 PolarHBondContact OG-OD2 3.22Å; S334-C345 WeakPolarHBondContact O-CB 3.47Å; S334-K346 PolarHBondContact N-O 3.23Å
335	L	93.8	Very high	94.3	Very high	86 Å²	86	55.9 Å²	55.9	45%	0.45	28%	0.276	S	S	.	.			trans	-119.5	7.4	173.3	-65.3	170.2	0	0	0	111.6	Y333 Q365	Y333-L335 HydrophobicContact CD1-CD2 4.07Å; Y333-L335 HydrophobicContact CD1-CG 4.41Å; Y333-L335 HydrophobicContact CE1-CD2 3.63Å; Y333-L335 HydrophobicContact CE1-CG 4.43Å; L335-Q365 HydrophobicContact CB-CB 4.47Å; L335-Q365 PolarHBondContact N-O 2.89Å
336	L	93.8	Very high	94.6	Very high	57 Å²	57	55.6 Å²	55.6	30%	0.298	27%	0.273	S	S	.	.			trans	-63.3	135.2	174.1	-70.4	168.8	0	0	0	110	S334 E338 D339 C340 Q365	S334-L336 PolarHBondContact OG-N 3.06Å; L336-E338 VanDerWaalsContact C-N 3.26Å; L336-E338 HydrophobicContact CB-CG 4.32Å; L336-E338 PolarHBondContact O-N 2.9Å; L336-D339 HydrophobicContact CB-CB 4.17Å; L336-D339 WeakPolarHBondContact O-CA 3.32Å; L336-D339 WeakPolarHBondContact O-CB 3.27Å; L336-D339 PolarHBondContact O-N 3.24Å; L336-C340 PolarHBondContact O-N 3.21Å; L336-C340 PolarHBondContact O-SG 2.93Å; L336-Q365 HydrophobicContact CD2-CB 3.88Å; L336-Q365 HydrophobicContact CD2-CG 4.32Å; L336-Q365 HydrophobicContact CG-CB 4.18Å
337	P	92.1	Very high	95	Very high	94 Å²	94	53.3 Å²	53.3	61%	0.61	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-53.7	-39	-179.4	-28.3	35.9	0	0	0	114.1	D339 C340	P337-D339 VanDerWaalsContact C-N 3.26Å; P337-D339 PolarHBondContact O-N 2.82Å; P337-C340 PolarHBondContact O-N 3.12Å
338	E	93.9	Very high	95.2	Very high	132 Å²	132	53.4 Å²	53.4	62%	0.617	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.8	177	63.9	-88.3	-156.7	0	0	114.4	L336	L336-E338 VanDerWaalsContact C-N 3.26Å; L336-E338 HydrophobicContact CB-CG 4.32Å; L336-E338 PolarHBondContact O-N 2.9Å
339	D	94.1	Very high	95.3	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.08	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-94.6	-6.1	174.3	-74.7	-17.5	0	0	0	112.8	F311 S334 L336 P337 C345 K346	F311-D339 WeakPolarHBondContact CE1-O 3.33Å; S334-D339 WeakPolarHBondContact CB-OD2 3.26Å; S334-D339 WeakPolarHBondContact OG-CB 3.25Å; S334-D339 PolarHBondContact OG-OD2 3.22Å; L336-D339 HydrophobicContact CB-CB 4.17Å; L336-D339 WeakPolarHBondContact O-CA 3.32Å; L336-D339 WeakPolarHBondContact O-CB 3.27Å; L336-D339 PolarHBondContact O-N 3.24Å; P337-D339 VanDerWaalsContact C-N 3.26Å; P337-D339 PolarHBondContact O-N 2.82Å; D339-C345 CarbonylContact O-C 3.53Å; D339-C345 VanDerWaalsContact O-CA 3.28Å; D339-C345 WeakPolarHBondContact O-CA 3.46Å; D339-K346 HydrophobicContact CB-CB 4.18Å; D339-K346 HydrophobicContact CB-CD 4.06Å; D339-K346 HydrophobicContact CB-CG 4.16Å; D339-K346 PolarHBondContact O-N 2.96Å; D339-K346 VanDerWaalsContact OD1-CD 3.29Å; D339-K346 WeakPolarHBondContact OD1-CD 3.47Å; D339-K346 VanDerWaalsContact OD1-CE 3.26Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.65Å; D339-K346 PolarHBondContact OD1-NZ 3.31Å
340	C	94.4	Very high	95.4	Very high	37 Å²	37	54.2 Å²	54.2	25%	0.25	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.1	179.7	-63.6	0	0	0	0	111.8	L336 P337 K344 C345	L336-C340 PolarHBondContact O-N 3.21Å; L336-C340 PolarHBondContact O-SG 2.93Å; P337-C340 PolarHBondContact O-N 3.12Å; C340-K344 CarbonylContact C-O 3.6Å; C340-K344 WeakPolarHBondContact CA-O 3.28Å; C340-C345 HydrophobicContact CB-CB 4.04Å; C340-C345 WeakPolarHBondContact CB-SG 3.5Å; C340-C345 WeakPolarHBondContact SG-CB 3.44Å; C340-C345 CovalentContact SG-SG 2.04Å; C340-C345 PolarHBondContact SG-SG 2.94Å
341	K	91.4	Very high	95.3	Very high	139 Å²	139	54.3 Å²	54.3	60%	0.604	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.5	170.8	-67.5	-173.8	178.7	-173	0	107.7	F311 E343 K344	F311-K341 HydrophobicContact CD1-CB 4.43Å; F311-K341 HydrophobicContact CD1-CG 4.49Å; F311-K341 HydrophobicContact CE1-CB 4.29Å; F311-K341 HydrophobicContact CE1-CD 4.01Å; F311-K341 HydrophobicContact CE1-CG 3.89Å; F311-K341 HydrophobicContact CZ-CD 4.12Å; F311-K341 HydrophobicContact CZ-CG 4.43Å; K341-E343 PolarHBondContact O-N 3.18Å; K341-K344 PolarHBondContact N-O 3.13Å; K341-K344 PolarHBondContact O-N 3.35Å
342	E	87.4	Confident	95.3	Very high	195 Å²	195	54.6 Å²	54.6	91%	0.911	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	-123.9	-173.2	-55.2	165.5	-176.3	0	0	110.4
343	E	88.9	Confident	95.1	Very high	130 Å²	130	58.7 Å²	58.7	61%	0.607	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	7.8	178	-56.5	-175.3	114	0	0	114.4	K313 K341	K313-E343 HydrophobicContact CD-CB 4.24Å; K313-E343 WeakPolarHBondContact CE-OE2 3.4Å; K313-E343 IonicContact NZ-OE1 2.81Å; K313-E343 PolarHBondContact NZ-OE1 2.03Å; K313-E343 IonicContact NZ-OE2 2.63Å; K313-E343 PolarHBondContact NZ-OE2 3.1Å; K341-E343 PolarHBondContact O-N 3.18Å
344	K	95.3	Very high	94.9	Very high	105 Å²	105	61.1 Å²	61.1	46%	0.457	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	-174.8	-62.2	174.9	-174.2	166.8	0	111.3	F311 V312 K313 C340 K341	F311-K344 HydrophobicContact CB-CB 4.13Å; V312-K344 VanDerWaalsContact O-CA 3.29Å; V312-K344 WeakPolarHBondContact O-CA 3.44Å; K313-K344 HydrophobicContact CB-CG 4.35Å; C340-K344 CarbonylContact C-O 3.6Å; C340-K344 WeakPolarHBondContact CA-O 3.28Å; K341-K344 PolarHBondContact N-O 3.13Å; K341-K344 PolarHBondContact O-N 3.35Å
345	C	96.9	Very high	94.8	Very high	10 Å²	10	61.6 Å²	61.6	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	164.3	174	-46.1	0	0	0	0	112.1	V312 Y333 S334 D339 C340 C347	V312-C345 PolarHBondContact N-O 2.82Å; V312-C345 PolarHBondContact O-N 3.36Å; Y333-C345 HydrophobicContact CE1-CB 4.26Å; Y333-C345 HydrophobicContact CE2-CB 3.89Å; Y333-C345 WeakPolarHBondContact OH-CB 3.28Å; Y333-C345 PolarHBondContact OH-N 2.8Å; Y333-C345 PolarHBondContact OH-SG 2.8Å; S334-C345 WeakPolarHBondContact O-CB 3.47Å; D339-C345 CarbonylContact O-C 3.53Å; D339-C345 VanDerWaalsContact O-CA 3.28Å; D339-C345 WeakPolarHBondContact O-CA 3.46Å; C340-C345 HydrophobicContact CB-CB 4.04Å; C340-C345 WeakPolarHBondContact CB-SG 3.5Å; C340-C345 WeakPolarHBondContact SG-CB 3.44Å; C340-C345 CovalentContact SG-SG 2.04Å; C340-C345 PolarHBondContact SG-SG 2.94Å; C345-C347 PolarHBondContact O-N 3.2Å
346	K	97.9	Very high	94.9	Very high	56 Å²	56	57.8 Å²	57.8	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.1	178.3	-69.1	179.4	-160.3	158.1	0	111.5	V309 F311 S334 D339 F348	V309-K346 HydrophobicContact CG1-CB 3.85Å; V309-K346 HydrophobicContact CG1-CD 4.03Å; V309-K346 HydrophobicContact CG1-CG 3.92Å; F311-K346 HydrophobicContact CD1-CG 4.43Å; F311-K346 HydrophobicContact CE1-CG 3.84Å; F311-K346 HydrophobicContact CE2-CG 4.25Å; F311-K346 HydrophobicContact CZ-CD 4.42Å; F311-K346 HydrophobicContact CZ-CG 3.73Å; S334-K346 PolarHBondContact N-O 3.23Å; D339-K346 HydrophobicContact CB-CB 4.18Å; D339-K346 HydrophobicContact CB-CD 4.06Å; D339-K346 HydrophobicContact CB-CG 4.16Å; D339-K346 PolarHBondContact O-N 2.96Å; D339-K346 VanDerWaalsContact OD1-CD 3.29Å; D339-K346 WeakPolarHBondContact OD1-CD 3.47Å; D339-K346 VanDerWaalsContact OD1-CE 3.26Å; D339-K346 WeakPolarHBondContact OD1-CE 3.48Å; D339-K346 IonicContact OD1-NZ 2.65Å; D339-K346 PolarHBondContact OD1-NZ 3.31Å; K346-F348 HydrophobicContact CB-CD2 4.17Å; K346-F348 HydrophobicContact CB-CE2 3.55Å; K346-F348 HydrophobicContact CB-CZ 3.93Å; K346-F348 HydrophobicContact CD-CE2 4.25Å; K346-F348 HydrophobicContact CD-CZ 3.77Å
347	C	98	Very high	95.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.2	167.5	175.9	0	0	0	0	108.5	V309 T310 V312 C318 Y333 C345 L349	V309-C347 WeakPolarHBondContact CA-O 3.42Å; T310-C347 PolarHBondContact N-O 3.21Å; T310-C347 WeakPolarHBondContact O-CB 3.34Å; T310-C347 PolarHBondContact O-N 2.6Å; V312-C347 HydrophobicContact CG1-CB 4.22Å; V312-C347 HydrophobicContact CG2-CB 3.59Å; C318-C347 WeakPolarHBondContact CA-SG 3.32Å; C318-C347 HydrophobicContact CB-CB 3.73Å; C318-C347 WeakPolarHBondContact CB-SG 3.48Å; C318-C347 VanDerWaalsContact SG-CA 3.54Å; C318-C347 WeakPolarHBondContact SG-CB 3.2Å; C318-C347 CovalentContact SG-SG 2.02Å; C318-C347 PolarHBondContact SG-SG 2.8Å; Y333-C347 HydrophobicContact CD2-CB 4.34Å; C345-C347 PolarHBondContact O-N 3.2Å; C347-L349 WeakPolarHBondContact SG-CD2 3.28Å
348	F	98.3	Very high	95.3	Very high	33 Å²	33	55.3 Å²	55.3	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.7	178.9	-62.7	-95	0	0	0	109.2	E306 V309 F331 T332 K346 R350	E306-F348 WeakPolarHBondContact OE2-CD1 3.33Å; V309-F348 HydrophobicContact CB-CD1 4.4Å; V309-F348 HydrophobicContact CG1-CD1 3.99Å; V309-F348 HydrophobicContact CG1-CE1 3.96Å; V309-F348 HydrophobicContact CG1-CG 4.4Å; V309-F348 HydrophobicContact CG1-CZ 4.34Å; V309-F348 HydrophobicContact CG2-CD1 3.49Å; V309-F348 VanDerWaalsContact CG2-CD1 3.49Å; V309-F348 HydrophobicContact CG2-CE1 3.87Å; V309-F348 HydrophobicContact CG2-CG 4.34Å; F331-F348 WeakPolarHBondContact CA-O 3.46Å; F331-F348 WeakPolarHBondContact CB-O 3.28Å; T332-F348 PolarHBondContact N-O 3.08Å; T332-F348 VanDerWaalsContact N-O 3.08Å; T332-F348 PolarHBondContact O-N 2.84Å; K346-F348 HydrophobicContact CB-CD2 4.17Å; K346-F348 HydrophobicContact CB-CE2 3.55Å; K346-F348 HydrophobicContact CB-CZ 3.93Å; K346-F348 HydrophobicContact CD-CE2 4.25Å; K346-F348 HydrophobicContact CD-CZ 3.77Å; F348-R350 VanDerWaalsContact CB-NH2 3.29Å
349	L	98.3	Very high	95.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.8	179.2	-55	-174.1	0	0	0	109.2	L307 N308 T321 C322 M325 C328 F331 C347	L307-L349 HydrophobicContact CB-CB 4.33Å; L307-L349 WeakPolarHBondContact CB-O 3.06Å; L307-L349 PolarHBondContact N-O 2.85Å; N308-L349 HydrophobicContact CB-CD1 4.24Å; N308-L349 WeakPolarHBondContact O-CB 3.5Å; N308-L349 PolarHBondContact O-N 2.79Å; T321-L349 HydrophobicContact CG2-CD1 3.97Å; T321-L349 HydrophobicContact CG2-CD2 4.39Å; C322-L349 HydrophobicContact CB-CD2 3.75Å; M325-L349 HydrophobicContact CB-CD1 4.27Å; M325-L349 HydrophobicContact CE-CD1 3.71Å; M325-L349 HydrophobicContact SD-CB 4.43Å; M325-L349 HydrophobicContact SD-CD1 3.63Å; C328-L349 HydrophobicContact CB-CB 4.28Å; F331-L349 HydrophobicContact CB-CD2 4.32Å; C347-L349 WeakPolarHBondContact SG-CD2 3.28Å
350	R	98.3	Very high	95.5	Very high	24 Å²	24	56 Å²	56	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	162.2	-170.5	-58.2	-169.1	-175.1	123.4	0.7	114.5	D301 F302 E305 Q329 F330 T332 F348	D301-R350 IonicContact OD1-CZ 3.77Å; D301-R350 IonicContact OD1-NH1 3.41Å; D301-R350 PolarHBondContact OD1-NH1 2.83Å; D301-R350 IonicContact OD1-NH2 3.83Å; F302-R350 WeakPolarHBondContact O-CD 3.47Å; F302-R350 PolarHBondContact O-NH1 2.98Å; E305-R350 CarbonylContact O-C 3.58Å; E305-R350 WeakPolarHBondContact O-CA 3.28Å; E305-R350 WeakPolarHBondContact O-CB 3.14Å; Q329-R350 PolarHBondContact N-O 2.84Å; F330-R350 HydrophobicContact CD2-CB 3.85Å; F330-R350 HydrophobicContact CE2-CB 3.59Å; F330-R350 HydrophobicContact CZ-CB 4.41Å; F330-R350 PolarHBondContact N-O 3Å; F330-R350 PolarHBondContact O-N 3.31Å; T332-R350 PolarHBondContact OG1-NH1 2.83Å; F348-R350 VanDerWaalsContact CB-NH2 3.29Å
351	L	97.3	Very high	95.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	174.8	169	82.8	153.1	0	0	0	113.1	R56 G304 E305 L307 Q329	R56-L351 HydrophobicContact CG-CD1 4.29Å; G304-L351 CarbonylContact C-O 3.54Å; G304-L351 WeakPolarHBondContact CA-O 3.37Å; E305-L351 HydrophobicContact CB-CD2 3.83Å; E305-L351 HydrophobicContact CB-CG 4.2Å; E305-L351 HydrophobicContact CG-CD2 3.87Å; E305-L351 PolarHBondContact N-O 3.32Å; E305-L351 PolarHBondContact O-N 2.92Å; L307-L351 HydrophobicContact CD1-CB 4.34Å; L307-L351 HydrophobicContact CD1-CD2 3.94Å; L307-L351 HydrophobicContact CD2-CD2 3.65Å; L307-L351 HydrophobicContact CG-CD2 3.5Å; Q329-L351 HydrophobicContact CB-CB 4.5Å; Q329-L351 HydrophobicContact CG-CB 4.16Å
352	S	97.3	Very high	95.7	Very high	6 Å²	6	54 Å²	54	4%	0.042	27%	0.269	C	S	.	.			trans	-142.8	-179.9	165.9	72.8	0	0	0	0	109.8	Q329 D354 G355 S356	Q329-S352 PolarHBondContact NE2-O 3.1Å; Q329-S352 PolarHBondContact OE1-O 2.78Å; Q329-S352 PolarHBondContact OE1-OG 3.42Å; S352-D354 PolarHBondContact OG-N 1.91Å; S352-D354 PolarHBondContact OG-OD1 2.95Å; S352-G355 PolarHBondContact OG-N 3.28Å; S352-S356 WeakPolarHBondContact CB-O 3.43Å; S352-S356 PolarHBondContact OG-N 2.45Å; S352-S356 PolarHBondContact OG-O 2.78Å
353	S	94.4	Very high	95.8	Very high	92 Å²	92	48.3 Å²	48.3	64%	0.643	26%	0.263	S	S	*	.	S	Bend	trans	-65.9	-37.1	171.5	44.5	0	0	0	0	113.3
354	D	93.6	Very high	95.9	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	25%	0.246	S	C	.	.	S	Bend	trans	-106.6	-5.1	-168.5	70.4	-13.1	0	0	0	114.8	P55 V219 S352 S356	P55-D354 VanDerWaalsContact CB-C 3.5Å; P55-D354 VanDerWaalsContact CG-C 3.46Å; P55-D354 WeakPolarHBondContact CG-O 3.48Å; V219-D354 WeakPolarHBondContact CG1-OD2 3.4Å; S352-D354 PolarHBondContact OG-N 1.91Å; S352-D354 PolarHBondContact OG-OD1 2.95Å; D354-S356 WeakPolarHBondContact OD1-CB 3.31Å; D354-S356 PolarHBondContact OD1-N 3.38Å
355	G	94.7	Very high	95.8	Very high	18 Å²	18	44.8 Å²	44.8	19%	0.186	25%	0.251	C	S	.	.	S	Bend	trans	90.6	-6	-175.8	0	0	0	0	0	114.9	Q329 S352	Q329-G355 VanDerWaalsContact OE1-CA 3.31Å; S352-G355 PolarHBondContact OG-N 3.28Å
356	S	97	Very high	95.7	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.035	25%	0.249	C	C	.	.	S	Bend	trans	-107.8	150.9	-176.5	-57	0	0	0	0	112.1	L220 F330 S352 D354 T358	L220-S356 WeakPolarHBondContact O-CB 3.44Å; F330-S356 WeakPolarHBondContact CE1-O 3.44Å; S352-S356 WeakPolarHBondContact CB-O 3.43Å; S352-S356 PolarHBondContact OG-N 2.45Å; S352-S356 PolarHBondContact OG-O 2.78Å; D354-S356 WeakPolarHBondContact OD1-CB 3.31Å; D354-S356 PolarHBondContact OD1-N 3.38Å; S356-T358 PolarHBondContact O-N 2.89Å
357	P	97.6	Very high	95.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.019	24%	0.242	C	C	.	.			trans	-57.6	139	174.6	-24.5	34.8	0	0	0	112.1	L220 F302 G303 F330 R359 I360 Y370	L220-P357 WeakPolarHBondContact CB-O 3.46Å; F302-P357 HydrophobicContact CB-CB 3.91Å; F302-P357 HydrophobicContact CB-CG 3.79Å; F302-P357 HydrophobicContact CD1-CB 4.37Å; F302-P357 HydrophobicContact CD1-CG 3.94Å; F302-P357 HydrophobicContact CD2-CG 3.67Å; F302-P357 HydrophobicContact CE1-CG 4.47Å; F302-P357 HydrophobicContact CE2-CG 4.24Å; F302-P357 HydrophobicContact CG-CB 4.08Å; F302-P357 HydrophobicContact CG-CG 3.52Å; G303-P357 CarbonylContact O-C 3.43Å; G303-P357 WeakPolarHBondContact O-CA 3.36Å; F330-P357 HydrophobicContact CD2-CG 4.48Å; F330-P357 HydrophobicContact CE2-CB 4.49Å; F330-P357 HydrophobicContact CG-CG 4.47Å; P357-R359 VanDerWaalsContact C-N 3.29Å; P357-R359 WeakPolarHBondContact CB-O 3.38Å; P357-I360 HydrophobicContact CB-CD1 4.41Å; P357-I360 HydrophobicContact CB-CG1 3.86Å; P357-I360 HydrophobicContact CG-CD1 4.33Å; P357-I360 HydrophobicContact CG-CG1 4.23Å; P357-Y370 WeakPolarHBondContact CD-OH 3.5Å
358	T	96.5	Very high	95.7	Very high	97 Å²	97	42.4 Å²	42.4	60%	0.595	24%	0.242	S	C	*	.	S	Bend	trans	-77.7	-19.2	174.8	59.3	0	0	0	0	112.5	L220 G303 S356	L220-T358 WeakPolarHBondContact CD1-O 3.44Å; G303-T358 PolarHBondContact O-N 2.84Å; G303-T358 PolarHBondContact O-OG1 3.18Å; S356-T358 PolarHBondContact O-N 2.89Å
359	R	95.4	Very high	95.6	Very high	148 Å²	148	40.9 Å²	40.9	56%	0.558	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148	146.5	172.2	-172.5	176.9	68.7	-146.6	-4.5	109.2	G303 P357 T361	G303-R359 PolarHBondContact N-O 2.83Å; P357-R359 VanDerWaalsContact C-N 3.29Å; P357-R359 WeakPolarHBondContact CB-O 3.38Å; R359-T361 PolarHBondContact NE-OG1 3.37Å
360	I	96.6	Very high	95.6	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110.8	170.6	-59.1	-177.5	0	0	0	107.6	L220 P222 N254 V300 D301 F302 P357 Y362	L220-I360 HydrophobicContact CB-CD1 4.01Å; L220-I360 HydrophobicContact CB-CG1 4.29Å; L220-I360 HydrophobicContact CD1-CG1 4.45Å; P222-I360 HydrophobicContact CB-CD1 4.22Å; N254-I360 HydrophobicContact CB-CB 4.48Å; N254-I360 HydrophobicContact CB-CD1 4.12Å; V300-I360 HydrophobicContact CG1-CG2 3.52Å; D301-I360 WeakPolarHBondContact O-CA 3.32Å; F302-I360 HydrophobicContact CD1-CD1 4.49Å; F302-I360 HydrophobicContact CD1-CG1 4.07Å; F302-I360 HydrophobicContact CD1-CG2 4.19Å; F302-I360 HydrophobicContact CE1-CD1 4.25Å; F302-I360 HydrophobicContact CE1-CG1 4.27Å; F302-I360 HydrophobicContact CE1-CG2 4.05Å; P357-I360 HydrophobicContact CB-CD1 4.41Å; P357-I360 HydrophobicContact CB-CG1 3.86Å; P357-I360 HydrophobicContact CG-CD1 4.33Å; P357-I360 HydrophobicContact CG-CG1 4.23Å; I360-Y362 HydrophobicContact CG2-CD2 4.29Å; I360-Y362 HydrophobicContact CG2-CE2 3.58Å
361	T	95.1	Very high	95.4	Very high	49 Å²	49	40.8 Å²	40.8	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.8	-177	-59.9	0	0	0	0	109.6	V300 D301 R359 T364	V300-T361 CarbonylContact C-O 3.51Å; V300-T361 VanDerWaalsContact CA-O 3.3Å; V300-T361 WeakPolarHBondContact CA-O 3.46Å; D301-T361 PolarHBondContact N-O 3.45Å; D301-T361 PolarHBondContact O-N 2.97Å; R359-T361 PolarHBondContact NE-OG1 3.37Å; T361-T364 HydrophobicContact CG2-CG2 3.88Å
362	Y	94.1	Very high	95.1	Very high	84 Å²	84	43.2 Å²	43.2	33%	0.329	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	158.6	-179.5	-71.2	-99.9	0	0	0	111.3	P222 N245 N254 G299 V300 I360 T364	P222-Y362 PolarHBondContact O-OH 2.89Å; N245-Y362 HydrophobicContact CB-CD2 4.1Å; N245-Y362 HydrophobicContact CB-CE1 4.21Å; N245-Y362 HydrophobicContact CB-CE2 3.57Å; N245-Y362 WeakPolarHBondContact ND2-CE1 3.22Å; N254-Y362 WeakPolarHBondContact OD1-CE2 3.16Å; N254-Y362 PolarHBondContact OD1-OH 3.14Å; G299-Y362 CarbonylContact O-C 3.55Å; G299-Y362 WeakPolarHBondContact O-CA 3.44Å; V300-Y362 HydrophobicContact CG2-CD1 3.66Å; V300-Y362 HydrophobicContact CG2-CE1 3.66Å; V300-Y362 HydrophobicContact CG2-CG 4.36Å; I360-Y362 HydrophobicContact CG2-CD2 4.29Å; I360-Y362 HydrophobicContact CG2-CE2 3.58Å; Y362-T364 VanDerWaalsContact C-N 3.35Å
363	G	90.5	Very high	94.8	Very high	76 Å²	76	43.5 Å²	43.5	78%	0.784	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	82.5	11.6	179.5	0	0	0	0	0	114	G299	G299-G363 PolarHBondContact O-N 2.92Å
364	T	91.6	Very high	94.5	Very high	41 Å²	41	40.6 Å²	40.6	25%	0.252	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.1	-179.9	57.9	0	0	0	0	111.6	G299 V300 D301 T361 Y362 G366	G299-T364 WeakPolarHBondContact CA-O 3.41Å; G299-T364 PolarHBondContact O-N 2.74Å; V300-T364 WeakPolarHBondContact CA-OG1 3.3Å; V300-T364 PolarHBondContact N-OG1 3.45Å; D301-T364 HydrophobicContact CB-CG2 3.93Å; D301-T364 PolarHBondContact N-OG1 3.26Å; T361-T364 HydrophobicContact CG2-CG2 3.88Å; Y362-T364 VanDerWaalsContact C-N 3.35Å; T364-G366 PolarHBondContact O-N 3.22Å
365	Q	93.3	Very high	94	Very high	120 Å²	120	38 Å²	38	56%	0.561	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	77.4	169.6	-64.9	-172.3	10	0	0	110.3	L335 L336	L335-Q365 HydrophobicContact CB-CB 4.47Å; L335-Q365 PolarHBondContact N-O 2.89Å; L336-Q365 HydrophobicContact CD2-CB 3.88Å; L336-Q365 HydrophobicContact CD2-CG 4.32Å; L336-Q365 HydrophobicContact CG-CB 4.18Å
366	G	93.7	Very high	92.5	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-176.4	-177.5	0	0	0	0	0	112.9	G299 Y333 T364	G299-G366 PolarHBondContact N-O 3.13Å; Y333-G366 CarbonylContact O-C 3.51Å; Y333-G366 WeakPolarHBondContact O-CA 3.43Å; T364-G366 PolarHBondContact O-N 3.22Å
367	S	97.4	Very high	90.3	Very high	13 Å²	13	43.2 Å²	43.2	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	127.8	176.7	-66.3	0	0	0	0	110.7	Y297 P298 Y333	Y297-S367 WeakPolarHBondContact O-CA 3.22Å; P298-S367 WeakPolarHBondContact CA-OG 3.4Å; Y333-S367 PolarHBondContact N-O 3.19Å; Y333-S367 PolarHBondContact O-N 3.27Å
368	S	98.4	Very high	87.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	159.2	-177.4	-62.8	0	0	0	0	113.2	I296 Y297 V300 D301 F302 F331 T332	I296-S368 CarbonylContact C-O 3.52Å; I296-S368 WeakPolarHBondContact CA-O 3.25Å; Y297-S368 PolarHBondContact N-O 3.2Å; Y297-S368 PolarHBondContact O-N 3.39Å; V300-S368 WeakPolarHBondContact O-CB 3.39Å; V300-S368 PolarHBondContact O-N 3.44Å; V300-S368 PolarHBondContact O-OG 3.1Å; D301-S368 VanDerWaalsContact CA-OG 3.28Å; D301-S368 WeakPolarHBondContact CA-OG 3.16Å; F302-S368 VanDerWaalsContact CG-CB 3.48Å; F302-S368 PolarHBondContact N-OG 2.83Å; F302-S368 VanDerWaalsContact N-OG 3.09Å; F331-S368 WeakPolarHBondContact O-CA 3.43Å; F331-S368 WeakPolarHBondContact O-CB 3.47Å; T332-S368 PolarHBondContact OG1-OG 3.23Å
369	G	97	Very high	84.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	177.7	175.5	0	0	0	0	0	112.9	F330 F331	F330-G369 CarbonylContact C-O 3.54Å; F330-G369 VanDerWaalsContact CA-O 3.23Å; F330-G369 WeakPolarHBondContact CA-O 3.21Å; F330-G369 VanDerWaalsContact CB-O 3.26Å; F330-G369 WeakPolarHBondContact CB-O 3.41Å; F331-G369 VanDerWaalsContact CD1-O 3.26Å; F331-G369 WeakPolarHBondContact CD1-O 3.27Å; F331-G369 VanDerWaalsContact CE1-CA 3.45Å; F331-G369 WeakPolarHBondContact CE1-O 3.4Å; F331-G369 PolarHBondContact N-O 2.62Å; F331-G369 PolarHBondContact O-N 3.42Å
370	Y	97.2	Very high	81.4	Confident	14 Å²	14	42.1 Å²	42.1	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	157.5	178.5	-66.4	-93.5	0	0	0	112	P222 V226 H293 Y297 F302 Q319 F330 P357	P222-Y370 VanDerWaalsContact CD-OH 3.29Å; P222-Y370 WeakPolarHBondContact CD-OH 3.43Å; P222-Y370 HydrophobicContact CG-CE2 4.07Å; V226-Y370 HydrophobicContact CG1-CE2 4.43Å; V226-Y370 HydrophobicContact CG2-CE2 4.4Å; H293-Y370 HydrophobicContact CB-CD2 3.73Å; H293-Y370 HydrophobicContact CB-CE2 4.49Å; H293-Y370 HydrophobicContact CB-CG 4.07Å; Y297-Y370 HydrophobicContact CE2-CE2 4.44Å; F302-Y370 HydrophobicContact CE2-CD2 4.13Å; F302-Y370 AromaticContact CE2-CE2 3.68Å; F302-Y370 HydrophobicContact CE2-CE2 3.68Å; F302-Y370 HydrophobicContact CZ-CE2 4.17Å; Q319-Y370 PolarHBondContact NE2-O 2.87Å; F330-Y370 HydrophobicContact CB-CD1 4Å; F330-Y370 HydrophobicContact CB-CE1 4.36Å; F330-Y370 HydrophobicContact CB-CG 4.49Å; F330-Y370 HydrophobicContact CD1-CE1 4.5Å; P357-Y370 WeakPolarHBondContact CD-OH 3.5Å
371	S	95.3	Very high	78.5	Confident	8 Å²	8	44.2 Å²	44.2	6%	0.056	27%	0.268	C	S	.	.			trans	-66.1	138.1	169.6	-175.7	0	0	0	0	111.1	C322 T323 C328 Q329 R373	C322-S371 PolarHBondContact O-OG 3.13Å; T323-S371 WeakPolarHBondContact CA-OG 3.31Å; C328-S371 WeakPolarHBondContact O-CB 3.47Å; C328-S371 PolarHBondContact O-OG 3.36Å; Q329-S371 WeakPolarHBondContact O-CB 3.28Å; Q329-S371 PolarHBondContact O-N 3.46Å; S371-R373 VanDerWaalsContact C-N 3.28Å; S371-R373 PolarHBondContact O-N 2.95Å; S371-R373 WeakPolarHBondContact OG-CG 3.37Å; S371-R373 PolarHBondContact OG-N 2.81Å
372	L	91.6	Very high	76	Confident	53 Å²	53	43.4 Å²	43.4	28%	0.277	26%	0.263	S	S	.	.			trans	-87.7	6.2	178	-52.6	-176.6	0	0	0	112.9	Q319 T323 L374 C375	Q319-L372 HydrophobicContact CG-CD1 4.33Å; Q319-L372 HydrophobicContact CG-CG 4.11Å; T323-L372 HydrophobicContact CG2-CB 3.82Å; T323-L372 PolarHBondContact OG1-N 3.44Å; L372-L374 PolarHBondContact O-N 3.31Å; L372-C375 WeakPolarHBondContact O-CB 3.4Å; L372-C375 PolarHBondContact O-N 2.82Å; L372-C375 PolarHBondContact O-SG 2.96Å; L372-C375 VanDerWaalsContact O-SG 3.42Å
373	R	89.9	Confident	73.7	Confident	13 Å²	13	41 Å²	41	5%	0.049	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.2	-175	73.5	-177.6	-169.4	-154.2	-1.6	115.4	P55 Q103 I326 R327 C328 Q329 S371	P55-R373 PolarHBondContact O-NH2 3.4Å; Q103-R373 HydrophobicContact CG-CB 3.92Å; Q103-R373 PolarHBondContact N-O 3.4Å; I326-R373 VanDerWaalsContact O-CD 3.26Å; I326-R373 WeakPolarHBondContact O-CD 3.33Å; I326-R373 PolarHBondContact O-NH1 2.79Å; R327-R373 PolarHBondContact O-NH1 2.93Å; C328-R373 VanDerWaalsContact C-NH1 3.32Å; C328-R373 PolarHBondContact O-NH1 2.88Å; Q329-R373 VanDerWaalsContact CG-NH2 3.33Å; S371-R373 VanDerWaalsContact C-N 3.28Å; S371-R373 PolarHBondContact O-N 2.95Å; S371-R373 WeakPolarHBondContact OG-CG 3.37Å; S371-R373 PolarHBondContact OG-N 2.81Å
374	L	88.9	Confident	71.2	Confident	30 Å²	30	39.8 Å²	39.8	16%	0.157	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-4.5	175.4	-68.4	-179	0	0	0	113.1	K102 P291 C292 L372 N376	K102-L374 HydrophobicContact CG-CD2 3.92Å; P291-L374 WeakPolarHBondContact CG-O 3.48Å; P291-L374 WeakPolarHBondContact O-CB 3.28Å; C292-L374 HydrophobicContact CB-CB 4.33Å; L372-L374 PolarHBondContact O-N 3.31Å; L374-N376 PolarHBondContact O-N 3.32Å
375	C	81.9	Confident	68.6	Low	10 Å²	10	40.5 Å²	40.5	7%	0.068	24%	0.24	C	C	.	.			trans	-64.5	131.2	177.1	-58.5	0	0	0	0	109.7	C292 L372 T377	C292-C375 HydrophobicContact CB-CB 3.98Å; C292-C375 WeakPolarHBondContact CB-SG 3.31Å; C292-C375 WeakPolarHBondContact SG-CA 3.33Å; C292-C375 WeakPolarHBondContact SG-CB 3.39Å; C292-C375 CovalentContact SG-SG 2.03Å; C292-C375 PolarHBondContact SG-SG 3.4Å; L372-C375 WeakPolarHBondContact O-CB 3.4Å; L372-C375 PolarHBondContact O-N 2.82Å; L372-C375 PolarHBondContact O-SG 2.96Å; L372-C375 VanDerWaalsContact O-SG 3.42Å; C375-T377 HydrophobicContact CB-CG2 4.27Å; C375-T377 PolarHBondContact O-N 2.86Å
376	N	62.6	Low	65.9	Low	35 Å²	35	44.1 Å²	44.1	19%	0.187	25%	0.254	C	S	.	.			trans	-78	25.6	-176.6	-164.3	44.5	0	0	0	112.3	G105 H106 I108 L374 G378	G105-N376 PolarHBondContact O-OD1 2.84Å; H106-N376 WeakPolarHBondContact CA-OD1 3.27Å; H106-N376 PolarHBondContact O-OD1 3.49Å; I108-N376 PolarHBondContact N-OD1 3.25Å; I108-N376 PolarHBondContact O-OD1 2.88Å; L374-N376 PolarHBondContact O-N 3.32Å; N376-G378 VanDerWaalsContact C-N 3.33Å; N376-G378 PolarHBondContact O-N 2.81Å
377	T	52.4	Low	63.2	Low	97 Å²	97	45.1 Å²	45.1	60%	0.595	26%	0.26	S	S	*	.			trans	-80.5	79.5	-171.4	51.1	0	0	0	0	111.2	C375	C375-T377 HydrophobicContact CB-CG2 4.27Å; C375-T377 PolarHBondContact O-N 2.86Å
378	G	35.1	Very low	60	Low	15 Å²	15	49.2 Å²	49.2	16%	0.155	29%	0.288	C	S	.	.	S	Bend	trans	-136.9	158.1	147	0	0	0	0	0	109.4	H106 N376 S380	H106-G378 WeakPolarHBondContact CB-O 3.29Å; N376-G378 VanDerWaalsContact C-N 3.33Å; N376-G378 PolarHBondContact O-N 2.81Å; G378-S380 VanDerWaalsContact C-N 3.31Å; G378-S380 PolarHBondContact O-N 2.68Å
379	D	34.9	Very low	56.5	Low	113 Å²	113	53.7 Å²	53.7	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	31	-4.3	154	-67.6	21.5	0	0	0	125.4	H426	D379-H426 IonicContact OD1-CE1 2.67Å; D379-H426 IonicContact OD1-NE2 3.91Å
380	S	31.7	Very low	53.1	Low	97 Å²	97	63.1 Å²	63.1	68%	0.678	36%	0.355	S	S	*	.	S	Bend	trans	-140.3	3.7	-179.1	90.8	0	0	0	0	119.2	G378	G378-S380 VanDerWaalsContact C-N 3.31Å; G378-S380 PolarHBondContact O-N 2.68Å
381	S	36.2	Very low	49.8	Very low	57 Å²	57	70 Å²	70	40%	0.399	39%	0.391	S	S	.	.			trans	-157.9	53.2	168	68.3	0	0	0	0	114.4	C383	S381-C383 PolarHBondContact O-N 2.68Å; S381-C383 VanDerWaalsContact O-N 3.1Å
382	V	41.4	Very low	46.5	Very low	32 Å²	32	73.7 Å²	73.7	19%	0.194	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-73.1	-1.8	-172.5	-176.4	0	0	0	0	114.4	T384 Y495 P501	V382-T384 PolarHBondContact O-N 3.14Å; V382-T384 VanDerWaalsContact O-N 3.12Å; V382-Y495 HydrophobicContact CB-CD2 3.86Å; V382-Y495 HydrophobicContact CB-CE2 3.61Å; V382-Y495 HydrophobicContact CG1-CD2 3.56Å; V382-Y495 HydrophobicContact CG1-CE2 3.85Å; V382-Y495 HydrophobicContact CG1-CG 4.31Å; V382-Y495 HydrophobicContact CG2-CD2 3.75Å; V382-Y495 HydrophobicContact CG2-CE2 3.53Å; V382-P501 HydrophobicContact CB-CG 3.93Å; V382-P501 HydrophobicContact CG1-CG 4.47Å
383	C	46.5	Very low	43.5	Very low	35 Å²	35	71.9 Å²	71.9	24%	0.236	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-74.3	1	-177.6	75.6	0	0	0	0	115.5	S381 P501 C503	S381-C383 PolarHBondContact O-N 2.68Å; S381-C383 VanDerWaalsContact O-N 3.1Å; C383-P501 WeakPolarHBondContact CA-O 3.36Å; C383-P501 WeakPolarHBondContact CB-O 3.13Å; C383-C503 HydrophobicContact CB-CB 3.76Å; C383-C503 WeakPolarHBondContact CB-SG 3.38Å; C383-C503 PolarHBondContact O-SG 3.06Å; C383-C503 WeakPolarHBondContact SG-CA 3.43Å; C383-C503 WeakPolarHBondContact SG-CB 3.36Å; C383-C503 CovalentContact SG-SG 2.03Å; C383-C503 PolarHBondContact SG-SG 2.75Å
384	T	37.7	Very low	42	Very low	49 Å²	49	73.7 Å²	73.7	30%	0.301	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-88.9	-6.5	-177.4	52.2	0	0	0	0	114.9	E290 V382 K386	E290-T384 PolarHBondContact OE1-OG1 2.91Å; V382-T384 PolarHBondContact O-N 3.14Å; V382-T384 VanDerWaalsContact O-N 3.12Å; T384-K386 PolarHBondContact O-N 3.23Å
385	T	37	Very low	41.2	Very low	57 Å²	57	75.6 Å²	75.6	35%	0.35	44%	0.443	S	S	.	.			trans	-68.7	121.2	-176.7	68.1	0	0	0	0	111.8	T387 K500	T385-T387 PolarHBondContact O-N 2.92Å; T385-T387 VanDerWaalsContact O-N 3.11Å; T385-K500 HydrophobicContact CG2-CD 4.33Å; T385-K500 VanDerWaalsContact OG1-CD 3.28Å; T385-K500 WeakPolarHBondContact OG1-CD 3.47Å; T385-K500 PolarHBondContact OG1-NZ 2.84Å
386	K	38.1	Very low	41.1	Very low	195 Å²	195	79.1 Å²	79.1	85%	0.848	46%	0.461	S	S	*	.			trans	-58.5	111.5	176.4	-83.2	179.5	172	176.2	0	111.5	T384	T384-K386 PolarHBondContact O-N 3.23Å
387	T	35.9	Very low	42	Very low	25 Å²	25	77.8 Å²	77.8	15%	0.153	46%	0.455	C	S	.	.			trans	-75.9	137.6	160	43.3	0	0	0	0	110.8	T385 P403 W590	T385-T387 PolarHBondContact O-N 2.92Å; T385-T387 VanDerWaalsContact O-N 3.11Å; T387-P403 HydrophobicContact CG2-CG 4.24Å; T387-W590 VanDerWaalsContact OG1-CD1 3.27Å; T387-W590 PolarHBondContact OG1-NE1 2.89Å
388	S	29.8	Very low	42.8	Very low	98 Å²	98	76.6 Å²	76.6	69%	0.685	45%	0.45	S	S	*	.			trans	-52.9	133.9	176.1	173.3	0	0	0	0	111.4
389	S	25.9	Very low	44	Very low	94 Å²	94	82.2 Å²	82.2	66%	0.657	47%	0.467	S	S	*	.			trans	-90.3	115.6	-177.6	51.4	0	0	0	0	112.5
390	R	25.6	Very low	45.2	Very low	199 Å²	199	77.9 Å²	77.9	75%	0.751	45%	0.449	S	S	*	.			trans	-138.4	163.7	165.5	-62.5	-172.4	-177.2	176.2	1.6	110.7
391	I	26.9	Very low	47.2	Very low	158 Å²	158	74.8 Å²	74.8	81%	0.81	42%	0.424	S	S	*	.			trans	-151.6	149.1	-150.9	-76.9	175.7	0	0	0	109.5
392	V	26.1	Very low	49.6	Very low	85 Å²	85	72.8 Å²	72.8	52%	0.515	41%	0.408	S	S	.	.			cis	-159.3	148.9	-15.7	137.7	0	0	0	0	108.6	W518	V392-W518 HydrophobicContact CB-CH2 4.37Å; V392-W518 HydrophobicContact CG2-CH2 3.58Å; V392-W518 HydrophobicContact CG2-CZ2 3.56Å
393	G	29.2	Very low	51.4	Low	16 Å²	16	71.5 Å²	71.5	17%	0.165	40%	0.4	C	S	.	.	S	Bend	trans	122.1	145.6	168.4	0	0	0	0	0	112.7	T395	G393-T395 WeakPolarHBondContact O-CB 3.49Å; G393-T395 WeakPolarHBondContact O-CG2 3.3Å; G393-T395 PolarHBondContact O-N 3.09Å; G393-T395 PolarHBondContact O-OG1 3.46Å
394	G	58.6	Low	53.6	Low	51 Å²	51	70.2 Å²	70.2	53%	0.526	39%	0.39	S	S	.	.	S	Bend	trans	-47.9	104.6	-170.1	0	0	0	0	0	113.5	K537	G394-K537 WeakPolarHBondContact CA-O 3.43Å
395	T	71.6	Confident	56.3	Low	69 Å²	69	68.1 Å²	68.1	42%	0.423	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	167.1	-168.5	44	0	0	0	0	111.9	G393 Q536 K537	G393-T395 WeakPolarHBondContact O-CB 3.49Å; G393-T395 WeakPolarHBondContact O-CG2 3.3Å; G393-T395 PolarHBondContact O-N 3.09Å; G393-T395 PolarHBondContact O-OG1 3.46Å; T395-Q536 VanDerWaalsContact C-OE1 3.25Å; T395-Q536 PolarHBondContact O-OE1 3.04Å; T395-K537 PolarHBondContact N-O 3.04Å; T395-K537 WeakPolarHBondContact O-CG 3.02Å; T395-K537 PolarHBondContact O-N 2.86Å
396	N	80.3	Confident	59.1	Low	85 Å²	85	65.4 Å²	65.4	46%	0.455	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	135.1	164.8	-64.6	-8.1	0	0	0	111.6	I534 Q536 K537	N396-I534 HydrophobicContact CB-CG2 3.82Å; N396-I534 WeakPolarHBondContact ND2-CD1 3.18Å; N396-Q536 PolarHBondContact OD1-NE2 2.99Å; N396-K537 WeakPolarHBondContact O-CE 3.34Å
397	S	81	Confident	61.8	Low	7 Å²	7	56.1 Å²	56.1	5%	0.049	32%	0.32	C	S	.	.			trans	-75.5	175.7	170.4	-56.3	0	0	0	0	111.6	E401 W402 L535	S397-E401 WeakPolarHBondContact CA-OE2 3.3Å; S397-W402 PolarHBondContact OG-NE1 2.65Å; S397-L535 WeakPolarHBondContact CB-O 3.45Å; S397-L535 PolarHBondContact N-O 2.03Å; S397-L535 PolarHBondContact OG-O 2.67Å
398	S	69.4	Low	64.7	Low	72 Å²	72	55 Å²	55	50%	0.503	31%	0.313	S	S	.	.			trans	-121.8	158.4	170.9	-60.8	0	0	0	0	111.8	G400 E401	S398-G400 PolarHBondContact O-N 3.04Å; S398-E401 PolarHBondContact N-OE2 2.85Å; S398-E401 WeakPolarHBondContact O-CB 3.17Å; S398-E401 PolarHBondContact O-N 2.9Å; S398-E401 VanDerWaalsContact O-N 3.12Å
399	W	60.3	Low	67.8	Low	132 Å²	132	50.8 Å²	50.8	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	127.1	175.8	-75.8	99.6	0	0	0	111.8	E401 G450 L452 F498	W399-E401 VanDerWaalsContact C-N 3.26Å; W399-E401 PolarHBondContact O-N 2.86Å; W399-G450 VanDerWaalsContact CZ3-O 3.26Å; W399-G450 WeakPolarHBondContact CZ3-O 3.02Å; W399-L452 HydrophobicContact CD2-CB 3.95Å; W399-L452 HydrophobicContact CD2-CD2 4.36Å; W399-L452 HydrophobicContact CE3-CB 4.35Å; W399-L452 HydrophobicContact CG-CB 4.48Å; W399-L452 HydrophobicContact CG-CD2 4.1Å; W399-L452 HydrophobicContact CH2-CB 4.14Å; W399-L452 HydrophobicContact CZ2-CB 3.72Å; W399-L452 HydrophobicContact CZ3-CB 4.45Å; W399-F498 HydrophobicContact CB-CD1 4.31Å; W399-F498 HydrophobicContact CB-CE1 4.02Å; W399-F498 HydrophobicContact CE3-CD1 4.23Å
400	G	59.8	Low	70.9	Confident	23 Å²	23	46.4 Å²	46.4	24%	0.237	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	5.2	176.9	0	0	0	0	0	115.6	S398	S398-G400 PolarHBondContact O-N 3.04Å
401	E	73.4	Confident	74	Confident	32 Å²	32	41.6 Å²	41.6	15%	0.15	24%	0.236	C	C	.	.	S	Bend	trans	-70.3	-40.1	177.5	-168.6	172.6	-162.9	0	0	112	S397 S398 W399 P403 K537	S397-E401 WeakPolarHBondContact CA-OE2 3.3Å; S398-E401 PolarHBondContact N-OE2 2.85Å; S398-E401 WeakPolarHBondContact O-CB 3.17Å; S398-E401 PolarHBondContact O-N 2.9Å; S398-E401 VanDerWaalsContact O-N 3.12Å; W399-E401 VanDerWaalsContact C-N 3.26Å; W399-E401 PolarHBondContact O-N 2.86Å; E401-P403 VanDerWaalsContact C-CD 3.47Å; E401-P403 WeakPolarHBondContact O-CD 3.42Å; E401-K537 WeakPolarHBondContact OE1-CD 2.97Å; E401-K537 IonicContact OE1-NZ 3.43Å; E401-K537 PolarHBondContact OE1-NZ 3.06Å; E401-K537 WeakPolarHBondContact OE2-CD 3.31Å; E401-K537 IonicContact OE2-NZ 2.65Å; E401-K537 PolarHBondContact OE2-NZ 2.79Å
402	W	85.8	Confident	76.9	Confident	14 Å²	14	39.2 Å²	39.2	5%	0.053	23%	0.225	C	C	.	.	S	Bend	trans	-126.3	61	-175.5	-52	117.5	0	0	0	111.8	S397 W404 Q405 W518 T520 L535 K537 W590	S397-W402 PolarHBondContact OG-NE1 2.65Å; W402-W404 AromaticContact CE3-CH2 3.7Å; W402-W404 HydrophobicContact CE3-CH2 3.7Å; W402-W404 AromaticContact CE3-CZ2 3.34Å; W402-W404 HydrophobicContact CE3-CZ2 3.34Å; W402-W404 HydrophobicContact CZ3-CH2 4.01Å; W402-W404 AromaticContact CZ3-CZ2 3.75Å; W402-W404 HydrophobicContact CZ3-CZ2 3.75Å; W402-W404 PolarHBondContact O-N 2.75Å; W402-Q405 HydrophobicContact CB-CB 4.36Å; W402-Q405 VanDerWaalsContact O-CB 3.28Å; W402-Q405 WeakPolarHBondContact O-CB 3.45Å; W402-Q405 PolarHBondContact O-N 3.28Å; W402-W518 HydrophobicContact CH2-CB 3.6Å; W402-W518 AromaticContact CH2-CD2 3.8Å; W402-W518 HydrophobicContact CH2-CD2 3.8Å; W402-W518 HydrophobicContact CH2-CE3 4.11Å; W402-W518 AromaticContact CH2-CG 3.59Å; W402-W518 HydrophobicContact CH2-CG 3.59Å; W402-W518 HydrophobicContact CZ2-CB 4.19Å; W402-W518 HydrophobicContact CZ2-CD2 4.01Å; W402-W518 AromaticContact CZ2-CE3 3.81Å; W402-W518 HydrophobicContact CZ2-CE3 3.81Å; W402-W518 HydrophobicContact CZ2-CG 4.2Å; W402-W518 HydrophobicContact CZ2-CZ3 4.43Å; W402-W518 HydrophobicContact CZ3-CB 4.27Å; W402-T520 HydrophobicContact CB-CG2 4.4Å; W402-T520 HydrophobicContact CD2-CG2 3.59Å; W402-T520 VanDerWaalsContact CE2-CG2 3.48Å; W402-T520 HydrophobicContact CE3-CG2 4.27Å; W402-T520 HydrophobicContact CG-CG2 3.64Å; W402-T520 HydrophobicContact CZ2-CG2 4.07Å; W402-L535 HydrophobicContact CB-CD2 4.31Å; W402-K537 HydrophobicContact CZ2-CB 4.02Å; W402-K537 HydrophobicContact CZ2-CD 4.15Å; W402-W590 AromaticContact CH2-CH2 3.46Å; W402-W590 HydrophobicContact CH2-CH2 3.46Å; W402-W590 VanDerWaalsContact CH2-CH2 3.46Å; W402-W590 AromaticContact CH2-CZ2 3.91Å; W402-W590 HydrophobicContact CH2-CZ2 3.91Å; W402-W590 AromaticContact CH2-CZ3 3.98Å; W402-W590 HydrophobicContact CH2-CZ3 3.98Å; W402-W590 HydrophobicContact CZ3-CD2 4.39Å; W402-W590 HydrophobicContact CZ3-CE3 4.16Å; W402-W590 AromaticContact CZ3-CH2 3.48Å; W402-W590 HydrophobicContact CZ3-CH2 3.48Å; W402-W590 VanDerWaalsContact CZ3-CH2 3.48Å; W402-W590 AromaticContact CZ3-CZ2 3.71Å; W402-W590 HydrophobicContact CZ3-CZ2 3.71Å; W402-W590 AromaticContact CZ3-CZ3 3.71Å; W402-W590 HydrophobicContact CZ3-CZ3 3.71Å
403	P	80.1	Confident	79.6	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.039	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.2	-166	30.9	-38	0	0	0	114.6	T387 E401 F498 Q499 K500	T387-P403 HydrophobicContact CG2-CG 4.24Å; E401-P403 VanDerWaalsContact C-CD 3.47Å; E401-P403 WeakPolarHBondContact O-CD 3.42Å; P403-F498 WeakPolarHBondContact CA-O 3.44Å; P403-Q499 CarbonylContact O-C 3.58Å; P403-Q499 VanDerWaalsContact O-CA 3.26Å; P403-Q499 WeakPolarHBondContact O-CA 3.43Å; P403-K500 CarbonylContact C-O 3.55Å; P403-K500 HydrophobicContact CB-CB 4.21Å; P403-K500 HydrophobicContact CB-CG 4.44Å; P403-K500 HydrophobicContact CG-CB 4.23Å; P403-K500 PolarHBondContact O-N 3.23Å; P403-K500 VanDerWaalsContact O-O 3.06Å
404	W	92.1	Very high	82.4	Confident	8 Å²	8	47.5 Å²	47.5	3%	0.03	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.6	171.9	54.4	82.6	0	0	0	113.5	W402 V406 S422 L423 K500 I502 A583 W590	W402-W404 AromaticContact CE3-CH2 3.7Å; W402-W404 HydrophobicContact CE3-CH2 3.7Å; W402-W404 AromaticContact CE3-CZ2 3.34Å; W402-W404 HydrophobicContact CE3-CZ2 3.34Å; W402-W404 HydrophobicContact CZ3-CH2 4.01Å; W402-W404 AromaticContact CZ3-CZ2 3.75Å; W402-W404 HydrophobicContact CZ3-CZ2 3.75Å; W402-W404 PolarHBondContact O-N 2.75Å; W404-V406 PolarHBondContact O-N 3.34Å; W404-S422 CarbonylContact O-C 3.58Å; W404-S422 WeakPolarHBondContact O-CA 3.45Å; W404-L423 HydrophobicContact CB-CB 4.33Å; W404-L423 PolarHBondContact O-N 2.77Å; W404-K500 WeakPolarHBondContact CA-O 3.5Å; W404-K500 WeakPolarHBondContact CB-O 3.44Å; W404-K500 PolarHBondContact N-O 2.91Å; W404-I502 HydrophobicContact CB-CB 3.85Å; W404-I502 HydrophobicContact CB-CG2 4Å; W404-I502 HydrophobicContact CD2-CB 3.71Å; W404-I502 HydrophobicContact CD2-CD1 4.02Å; W404-I502 HydrophobicContact CD2-CG1 4.2Å; W404-I502 HydrophobicContact CE3-CB 4.01Å; W404-I502 HydrophobicContact CE3-CG1 4.41Å; W404-I502 HydrophobicContact CG-CB 3.64Å; W404-I502 HydrophobicContact CG-CD1 4.38Å; W404-I502 HydrophobicContact CG-CG2 3.97Å; W404-I502 HydrophobicContact CH2-CD1 4.43Å; W404-I502 HydrophobicContact CZ2-CD1 3.85Å; W404-A583 HydrophobicContact CZ2-CB 3.69Å; W404-W590 HydrophobicContact CH2-CB 3.68Å; W404-W590 AromaticContact CH2-CD1 3.76Å; W404-W590 AromaticContact CH2-CD2 3.76Å; W404-W590 HydrophobicContact CH2-CD2 3.76Å; W404-W590 HydrophobicContact CH2-CE3 4.29Å; W404-W590 AromaticContact CH2-CG 3.48Å; W404-W590 HydrophobicContact CH2-CG 3.48Å; W404-W590 VanDerWaalsContact CH2-CG 3.48Å; W404-W590 HydrophobicContact CZ2-CB 4.4Å; W404-W590 HydrophobicContact CZ2-CD2 4.39Å; W404-W590 HydrophobicContact CZ2-CE3 4.48Å; W404-W590 HydrophobicContact CZ2-CG 4.38Å; W404-W590 HydrophobicContact CZ3-CB 4.04Å; W404-W590 HydrophobicContact CZ3-CG 4.06Å
405	Q	94.3	Very high	83.8	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	131.9	179.1	-174.9	77.1	15.4	0	0	110.1	W402 T520 W522 L535 P581	W402-Q405 HydrophobicContact CB-CB 4.36Å; W402-Q405 VanDerWaalsContact O-CB 3.28Å; W402-Q405 WeakPolarHBondContact O-CB 3.45Å; W402-Q405 PolarHBondContact O-N 3.28Å; Q405-T520 PolarHBondContact NE2-O 3.04Å; Q405-T520 VanDerWaalsContact NE2-O 3.13Å; Q405-T520 PolarHBondContact OE1-O 3.22Å; Q405-T520 PolarHBondContact OE1-OG1 2.89Å; Q405-W522 HydrophobicContact CG-CH2 3.58Å; Q405-W522 HydrophobicContact CG-CZ3 3.6Å; Q405-L535 HydrophobicContact CB-CD2 4.33Å; Q405-L535 HydrophobicContact CG-CD1 3.78Å; Q405-L535 HydrophobicContact CG-CD2 4.06Å; Q405-P581 VanDerWaalsContact OE1-CG 3.23Å
406	V	96	Very high	84.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.3	167	-57	0	0	0	0	111.6	W404 L408 G420 G421 L423 V429 I447 Y448	W404-V406 PolarHBondContact O-N 3.34Å; V406-L408 HydrophobicContact CG2-CD2 3.9Å; V406-G420 CarbonylContact O-C 3.58Å; V406-G420 WeakPolarHBondContact O-CA 3.49Å; V406-G421 PolarHBondContact N-O 2.04Å; V406-G421 PolarHBondContact O-N 3.32Å; V406-G421 VanDerWaalsContact O-N 3.1Å; V406-L423 HydrophobicContact CG1-CD1 4.32Å; V406-L423 HydrophobicContact CG1-CD2 3.96Å; V406-L423 HydrophobicContact CG1-CG 3.78Å; V406-V429 HydrophobicContact CG2-CG1 3.73Å; V406-V429 HydrophobicContact CG2-CG2 4.22Å; V406-I447 HydrophobicContact CB-CG2 3.88Å; V406-I447 HydrophobicContact CG1-CG2 4.17Å; V406-I447 HydrophobicContact CG2-CG2 3.99Å; V406-Y448 CarbonylContact C-O 3.6Å; V406-Y448 VanDerWaalsContact CA-O 3.3Å; V406-Y448 WeakPolarHBondContact CA-O 3.23Å; V406-Y448 WeakPolarHBondContact CB-O 3.35Å
407	S	96	Very high	85.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.9	169.1	174.2	0	0	0	0	108.6	Q409 H417 Y448	S407-Q409 VanDerWaalsContact OG-CG 3.3Å; S407-Q409 WeakPolarHBondContact OG-CG 3.05Å; S407-Q409 PolarHBondContact OG-NE2 2.81Å; S407-H417 PolarHBondContact OG-ND1 2.93Å; S407-Y448 PolarHBondContact N-O 2.71Å; S407-Y448 PolarHBondContact O-N 3.26Å
408	L	95.9	Very high	85.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.1	172	-52.2	-177.7	0	0	0	108.1	V406 L418 C419 G420 T431 W445 I447 I487	V406-L408 HydrophobicContact CG2-CD2 3.9Å; L408-L418 PolarHBondContact O-N 3.36Å; L408-C419 WeakPolarHBondContact CA-O 3.13Å; L408-C419 HydrophobicContact CB-CB 4.18Å; L408-C419 VanDerWaalsContact CB-O 3.28Å; L408-C419 WeakPolarHBondContact CB-O 3.38Å; L408-C419 HydrophobicContact CD1-CB 4.02Å; L408-C419 HydrophobicContact CG-CB 4.48Å; L408-C419 PolarHBondContact N-O 3.38Å; L408-C419 PolarHBondContact O-N 3.03Å; L408-G420 VanDerWaalsContact CD1-O 3.28Å; L408-G420 WeakPolarHBondContact CD1-O 3.19Å; L408-T431 HydrophobicContact CD1-CG2 3.94Å; L408-T431 WeakPolarHBondContact CD1-OG1 3.34Å; L408-W445 HydrophobicContact CB-CE3 4.08Å; L408-W445 HydrophobicContact CB-CZ3 3.81Å; L408-I447 HydrophobicContact CD2-CB 4.35Å; L408-I447 HydrophobicContact CD2-CD1 3.8Å; L408-I447 HydrophobicContact CD2-CG1 3.66Å; L408-I447 HydrophobicContact CD2-CG2 4.09Å; L408-I487 HydrophobicContact CD1-CD1 4.01Å; L408-I487 HydrophobicContact CD2-CD1 3.83Å
409	Q	94.6	Very high	86.9	Confident	11 Å²	11	46.5 Å²	46.5	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146	-177.5	-52.6	-157.4	-2.8	0	0	111.3	S407 Q415 R416 H417 W445 R446 Y448	S407-Q409 VanDerWaalsContact OG-CG 3.3Å; S407-Q409 WeakPolarHBondContact OG-CG 3.05Å; S407-Q409 PolarHBondContact OG-NE2 2.81Å; Q409-Q415 HydrophobicContact CB-CG 4.31Å; Q409-R416 CarbonylContact C-O 3.58Å; Q409-R416 WeakPolarHBondContact CA-O 3.39Å; Q409-R416 WeakPolarHBondContact CB-O 3.34Å; Q409-H417 HydrophobicContact CG-CB 4.4Å; Q409-W445 CarbonylContact O-C 3.59Å; Q409-W445 WeakPolarHBondContact O-CA 3.49Å; Q409-R446 PolarHBondContact N-O 3.09Å; Q409-R446 PolarHBondContact O-N 2.97Å; Q409-Y448 HydrophobicContact CB-CD2 4.48Å; Q409-Y448 HydrophobicContact CB-CE2 4.3Å; Q409-Y448 HydrophobicContact CG-CD2 3.92Å; Q409-Y448 HydrophobicContact CG-CE2 4.11Å
410	V	92.4	Very high	88.5	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.4	172.1	165.6	0	0	0	0	109.3	L412 Q415 R416 L418 L439 V444 W445	V410-L412 HydrophobicContact CG1-CD1 4.21Å; V410-L412 HydrophobicContact CG1-CD2 4.5Å; V410-L412 HydrophobicContact CG1-CG 3.84Å; V410-Q415 WeakPolarHBondContact O-CA 3.46Å; V410-R416 PolarHBondContact N-O 2.72Å; V410-R416 PolarHBondContact O-N 2.66Å; V410-L418 HydrophobicContact CB-CD1 3.83Å; V410-L418 HydrophobicContact CB-CG 4.48Å; V410-L418 HydrophobicContact CG2-CD1 3.52Å; V410-L418 HydrophobicContact CG2-CG 4.47Å; V410-L439 HydrophobicContact CG1-CD1 4.37Å; V410-L439 HydrophobicContact CG2-CD1 4.28Å; V410-V444 WeakPolarHBondContact CA-O 3.45Å; V410-V444 HydrophobicContact CG1-CB 4.32Å; V410-V444 HydrophobicContact CG1-CG2 4.06Å; V410-V444 HydrophobicContact CG2-CG2 4.35Å; V410-W445 HydrophobicContact CG2-CD2 3.46Å; V410-W445 VanDerWaalsContact CG2-CD2 3.46Å; V410-W445 HydrophobicContact CG2-CE3 3.5Å; V410-W445 HydrophobicContact CG2-CG 4.15Å; V410-W445 HydrophobicContact CG2-CH2 3.71Å; V410-W445 HydrophobicContact CG2-CZ2 3.67Å; V410-W445 HydrophobicContact CG2-CZ3 3.63Å
411	K	89.9	Confident	90.2	Very high	98 Å²	98	39.1 Å²	39.1	43%	0.426	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.7	173.6	179.6	170.8	166.6	179.1	0	109.6	Q415 V444	K411-Q415 HydrophobicContact CB-CB 4.19Å; K411-Q415 HydrophobicContact CB-CG 4.33Å; K411-Q415 HydrophobicContact CD-CB 4.48Å; K411-Q415 HydrophobicContact CG-CB 4.28Å; K411-V444 PolarHBondContact N-O 2.82Å
412	L	87.4	Confident	91.4	Very high	108 Å²	108	37.6 Å²	37.6	57%	0.565	19%	0.187	S	C	*	.	S	Bend	trans	-108.3	-111.3	166.9	-62.6	172.8	0	0	0	107	V410 A414 L439 V444	V410-L412 HydrophobicContact CG1-CD1 4.21Å; V410-L412 HydrophobicContact CG1-CD2 4.5Å; V410-L412 HydrophobicContact CG1-CG 3.84Å; L412-A414 PolarHBondContact N-O 2.97Å; L412-L439 HydrophobicContact CD1-CD2 4.41Å; L412-V444 HydrophobicContact CD2-CB 4.24Å; L412-V444 HydrophobicContact CD2-CG1 3.89Å
413	M	84.4	Confident	91.8	Very high	204 Å²	204	37 Å²	37	100%	1.005	18%	0.184	S	C	*	.	S	Bend	trans	-70.3	-41.3	170.7	-64.1	-169.1	177.1	0	0	112.5
414	A	86.8	Confident	92.3	Very high	72 Å²	72	38 Å²	38	60%	0.595	19%	0.189	S	C	*	.	S	Bend	trans	-117.8	156.2	170.3	0	0	0	0	0	109.7	L412	L412-A414 PolarHBondContact N-O 2.97Å
415	Q	88.8	Confident	91.8	Very high	67 Å²	67	38.2 Å²	38.2	31%	0.313	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.1	169	-176.8	171.2	-51.6	0	0	109	Q409 V410 K411 Y448	Q409-Q415 HydrophobicContact CB-CG 4.31Å; V410-Q415 WeakPolarHBondContact O-CA 3.46Å; K411-Q415 HydrophobicContact CB-CB 4.19Å; K411-Q415 HydrophobicContact CB-CG 4.33Å; K411-Q415 HydrophobicContact CD-CB 4.48Å; K411-Q415 HydrophobicContact CG-CB 4.28Å; Q415-Y448 PolarHBondContact NE2-OH 3.03Å
416	R	89.9	Confident	91.3	Very high	144 Å²	144	40 Å²	40	54%	0.543	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.7	178.6	64.4	179.2	-178.3	139	-0.2	111.9	Q409 V410 L418	Q409-R416 CarbonylContact C-O 3.58Å; Q409-R416 WeakPolarHBondContact CA-O 3.39Å; Q409-R416 WeakPolarHBondContact CB-O 3.34Å; V410-R416 PolarHBondContact N-O 2.72Å; V410-R416 PolarHBondContact O-N 2.66Å; R416-L418 HydrophobicContact CG-CD2 4.49Å
417	H	91.8	Very high	91.1	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.2	164.9	178.2	74.7	0	0	0	110.4	S407 Q409 C419 G420 L454 W522 I531 G576	S407-H417 PolarHBondContact OG-ND1 2.93Å; Q409-H417 HydrophobicContact CG-CB 4.4Å; H417-C419 PolarHBondContact CE1-O 3.22Å; H417-G420 PolarHBondContact CE1-N 2.03Å; H417-G420 VanDerWaalsContact CE1-N 3.28Å; H417-L454 HydrophobicContact CB-CD1 3.98Å; H417-W522 AromaticContact CE1-CE3 3.45Å; H417-W522 VanDerWaalsContact CE1-CE3 3.45Å; H417-W522 AromaticContact CE1-CZ3 3.89Å; H417-I531 HydrophobicContact CB-CD1 4.35Å; H417-G576 PolarHBondContact NE2-O 3.13Å
418	L	90.8	Very high	91	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.199	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-48.2	176.3	-78.5	-173.8	0	0	0	112.4	L408 V410 R416 L439 W445	L408-L418 PolarHBondContact O-N 3.36Å; V410-L418 HydrophobicContact CB-CD1 3.83Å; V410-L418 HydrophobicContact CB-CG 4.48Å; V410-L418 HydrophobicContact CG2-CD1 3.52Å; V410-L418 HydrophobicContact CG2-CG 4.47Å; R416-L418 HydrophobicContact CG-CD2 4.49Å; L418-L439 HydrophobicContact CD1-CD1 3.9Å; L418-W445 HydrophobicContact CB-CH2 4.32Å; L418-W445 HydrophobicContact CB-CZ3 4.28Å; L418-W445 HydrophobicContact CD1-CH2 3.79Å; L418-W445 HydrophobicContact CD1-CZ2 4.44Å; L418-W445 HydrophobicContact CD1-CZ3 4.23Å
419	C	93.4	Very high	91.1	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.8	-171.8	-80	0	0	0	0	112.1	L408 H417 C435 S578	L408-C419 WeakPolarHBondContact CA-O 3.13Å; L408-C419 HydrophobicContact CB-CB 4.18Å; L408-C419 VanDerWaalsContact CB-O 3.28Å; L408-C419 WeakPolarHBondContact CB-O 3.38Å; L408-C419 HydrophobicContact CD1-CB 4.02Å; L408-C419 HydrophobicContact CG-CB 4.48Å; L408-C419 PolarHBondContact N-O 3.38Å; L408-C419 PolarHBondContact O-N 3.03Å; H417-C419 PolarHBondContact CE1-O 3.22Å; C419-C435 HydrophobicContact CB-CB 3.88Å; C419-C435 WeakPolarHBondContact CB-SG 3.48Å; C419-C435 WeakPolarHBondContact SG-CB 3.44Å; C419-C435 CovalentContact SG-SG 2.04Å; C419-C435 PolarHBondContact SG-SG 3.36Å; C419-S578 CarbonylContact C-O 3.44Å; C419-S578 WeakPolarHBondContact CA-O 2.92Å; C419-S578 WeakPolarHBondContact CB-O 3.1Å; C419-S578 VanDerWaalsContact SG-CB 3.52Å
420	G	94.8	Very high	91.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	173	161.9	0	0	0	0	0	112.5	V406 L408 H417 T431 S578 G579	V406-G420 CarbonylContact O-C 3.58Å; V406-G420 WeakPolarHBondContact O-CA 3.49Å; L408-G420 VanDerWaalsContact CD1-O 3.28Å; L408-G420 WeakPolarHBondContact CD1-O 3.19Å; H417-G420 PolarHBondContact CE1-N 2.03Å; H417-G420 VanDerWaalsContact CE1-N 3.28Å; G420-T431 PolarHBondContact O-OG1 3.5Å; G420-S578 PolarHBondContact N-O 3.23Å; G420-G579 CarbonylContact C-O 3.31Å; G420-G579 CarbonylContact O-C 3.38Å; G420-G579 VanDerWaalsContact O-C 3.31Å
421	G	96.7	Very high	91.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	169.9	169	0	0	0	0	0	110.7	V406 G579	V406-G421 PolarHBondContact N-O 2.04Å; V406-G421 PolarHBondContact O-N 3.32Å; V406-G421 VanDerWaalsContact O-N 3.1Å; G421-G579 WeakPolarHBondContact CA-O 3.21Å
422	S	97.1	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	178.8	-57.7	0	0	0	0	111.4	W404 I424 V429 L430 P581 L592	W404-S422 CarbonylContact O-C 3.58Å; W404-S422 WeakPolarHBondContact O-CA 3.45Å; S422-I424 PolarHBondContact O-N 3.41Å; S422-V429 CarbonylContact O-C 3.48Å; S422-V429 VanDerWaalsContact O-CA 3.31Å; S422-V429 WeakPolarHBondContact O-CA 3.27Å; S422-L430 PolarHBondContact N-O 3.12Å; S422-L430 PolarHBondContact O-N 3.35Å; S422-P581 WeakPolarHBondContact OG-CB 3.4Å; S422-L592 WeakPolarHBondContact OG-CD1 3.14Å
423	L	93.7	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	126	165.8	-66.5	173.6	0	0	0	109.6	W404 V406 V429 L493 Q499 P501 I502	W404-L423 HydrophobicContact CB-CB 4.33Å; W404-L423 PolarHBondContact O-N 2.77Å; V406-L423 HydrophobicContact CG1-CD1 4.32Å; V406-L423 HydrophobicContact CG1-CD2 3.96Å; V406-L423 HydrophobicContact CG1-CG 3.78Å; L423-V429 HydrophobicContact CD2-CG2 3.88Å; L423-L493 HydrophobicContact CD1-CD1 4.23Å; L423-L493 HydrophobicContact CD2-CD1 3.38Å; L423-L493 HydrophobicContact CG-CD1 4.47Å; L423-Q499 HydrophobicContact CD1-CB 4.22Å; L423-P501 HydrophobicContact CB-CB 4.45Å; L423-P501 CarbonylContact O-C 3.52Å; L423-P501 WeakPolarHBondContact O-CA 3.2Å; L423-I502 WeakPolarHBondContact O-CG2 3.44Å; L423-I502 PolarHBondContact O-N 3.29Å
424	I	91.3	Very high	92.4	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.138	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-9.6	176	64.1	158.3	0	0	0	112.7	S422 W428 L430 L486 I502 L504 L592 I621	S422-I424 PolarHBondContact O-N 3.41Å; I424-W428 HydrophobicContact CD1-CB 4.19Å; I424-W428 HydrophobicContact CG1-CB 3.72Å; I424-W428 WeakPolarHBondContact CG1-O 3.15Å; I424-W428 PolarHBondContact N-O 3.21Å; I424-L430 HydrophobicContact CD1-CB 4.24Å; I424-L430 HydrophobicContact CG1-CB 4.44Å; I424-L430 HydrophobicContact CG2-CB 3.84Å; I424-L486 HydrophobicContact CD1-CD2 3.63Å; I424-I502 HydrophobicContact CG2-CG2 4.47Å; I424-L504 HydrophobicContact CB-CD2 4.42Å; I424-L504 HydrophobicContact CD1-CD1 4.3Å; I424-L504 HydrophobicContact CG2-CD2 3.84Å; I424-L504 HydrophobicContact CG2-CG 4.41Å; I424-L592 HydrophobicContact CG2-CD2 4.18Å; I424-I621 HydrophobicContact CD1-CG2 3.95Å
425	G	82.8	Confident	92.7	Very high	14 Å²	14	22.5 Å²	22.5	14%	0.144	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	-179.9	175.9	0	0	0	0	0	111.2	Q427 W428 Y495	G425-Q427 VanDerWaalsContact C-N 3.26Å; G425-Q427 PolarHBondContact O-N 3.22Å; G425-W428 PolarHBondContact N-O 3.06Å; G425-W428 PolarHBondContact O-N 3.46Å; G425-Y495 WeakPolarHBondContact CA-OH 3.4Å
426	H	82	Confident	92.8	Very high	41 Å²	41	19.5 Å²	19.5	19%	0.19	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.8	-172.7	-74.2	-92.6	0	0	0	112.9	D379 P492 L493 Y495	D379-H426 IonicContact OD1-CE1 2.67Å; D379-H426 IonicContact OD1-NE2 3.91Å; H426-P492 HydrophobicContact CB-CB 4.21Å; H426-P492 WeakPolarHBondContact O-CA 3.39Å; H426-L493 PolarHBondContact ND1-O 3.42Å; H426-L493 PolarHBondContact O-N 3.24Å; H426-Y495 WeakPolarHBondContact CA-OH 3.36Å; H426-Y495 AromaticContact CD2-CE2 3.65Å; H426-Y495 AromaticContact CD2-CZ 3.69Å; H426-Y495 PolarHBondContact CD2-OH 3.02Å; H426-Y495 AromaticContact CE1-CD2 3.38Å; H426-Y495 WeakPolarHBondContact CE1-CD2 3.46Å; H426-Y495 AromaticContact CE1-CE2 3.06Å; H426-Y495 WeakPolarHBondContact CE1-CE2 3.44Å; H426-Y495 AromaticContact CE1-CZ 3.59Å; H426-Y495 AromaticContact CG-CE2 3.88Å; H426-Y495 AromaticContact CG-CZ 3.61Å; H426-Y495 PolarHBondContact N-OH 3.25Å; H426-Y495 AromaticContact ND1-CD2 3.94Å; H426-Y495 AromaticContact ND1-CE1 3.98Å; H426-Y495 AromaticContact ND1-CE2 3.52Å; H426-Y495 AromaticContact ND1-CZ 3.52Å; H426-Y495 AromaticContact NE2-CD2 3.8Å; H426-Y495 AromaticContact NE2-CE2 3.07Å; H426-Y495 WeakPolarHBondContact NE2-CE2 3.35Å; H426-Y495 AromaticContact NE2-CZ 3.63Å
427	Q	91.7	Very high	92.7	Very high	52 Å²	52	15.4 Å²	15.4	24%	0.243	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	16.6	179.2	-70.6	-175.7	-51.9	0	0	112.5	G425 K488 L489 P492	G425-Q427 VanDerWaalsContact C-N 3.26Å; G425-Q427 PolarHBondContact O-N 3.22Å; Q427-K488 CarbonylContact O-C 3.51Å; Q427-K488 VanDerWaalsContact O-CA 3.32Å; Q427-K488 WeakPolarHBondContact O-CA 3.44Å; Q427-L489 HydrophobicContact CB-CB 4.47Å; Q427-L489 PolarHBondContact O-N 3.4Å; Q427-P492 HydrophobicContact CG-CB 3.79Å
428	W	94.6	Very high	92.2	Very high	18 Å²	18	18.6 Å²	18.6	7%	0.068	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.7	-166.5	-66	114.7	0	0	0	112.4	I424 G425 I470 L486 I487 K488 T625	I424-W428 HydrophobicContact CD1-CB 4.19Å; I424-W428 HydrophobicContact CG1-CB 3.72Å; I424-W428 WeakPolarHBondContact CG1-O 3.15Å; I424-W428 PolarHBondContact N-O 3.21Å; G425-W428 PolarHBondContact N-O 3.06Å; G425-W428 PolarHBondContact O-N 3.46Å; W428-I470 HydrophobicContact CH2-CD1 4.13Å; W428-I470 HydrophobicContact CZ3-CD1 4.03Å; W428-L486 HydrophobicContact CE3-CB 4.47Å; W428-L486 HydrophobicContact CE3-CD2 4.26Å; W428-L486 HydrophobicContact CZ3-CB 4.36Å; W428-I487 WeakPolarHBondContact CA-O 3.14Å; W428-K488 HydrophobicContact CE3-CB 4.1Å; W428-K488 HydrophobicContact CE3-CG 4.36Å; W428-K488 HydrophobicContact CH2-CB 3.94Å; W428-K488 HydrophobicContact CH2-CD 3.68Å; W428-K488 HydrophobicContact CH2-CG 3.92Å; W428-K488 HydrophobicContact CZ2-CD 3.85Å; W428-K488 HydrophobicContact CZ2-CG 4.16Å; W428-K488 HydrophobicContact CZ3-CB 3.62Å; W428-K488 HydrophobicContact CZ3-CD 4.26Å; W428-K488 HydrophobicContact CZ3-CG 4Å; W428-T625 HydrophobicContact CD2-CG2 3.74Å; W428-T625 HydrophobicContact CE3-CG2 4.15Å; W428-T625 HydrophobicContact CG-CG2 3.98Å; W428-T625 HydrophobicContact CZ2-CG2 4.17Å
429	V	97.4	Very high	91.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.3	167.3	175.4	0	0	0	0	108.8	V406 S422 L423 I447 I487 L489	V406-V429 HydrophobicContact CG2-CG1 3.73Å; V406-V429 HydrophobicContact CG2-CG2 4.22Å; S422-V429 CarbonylContact O-C 3.48Å; S422-V429 VanDerWaalsContact O-CA 3.31Å; S422-V429 WeakPolarHBondContact O-CA 3.27Å; L423-V429 HydrophobicContact CD2-CG2 3.88Å; V429-I447 HydrophobicContact CG2-CD1 4.46Å; V429-I447 HydrophobicContact CG2-CG2 4.36Å; V429-I487 HydrophobicContact CB-CB 4.14Å; V429-I487 HydrophobicContact CB-CD1 4.24Å; V429-I487 HydrophobicContact CB-CG1 4.36Å; V429-I487 HydrophobicContact CG1-CD1 4.1Å; V429-I487 PolarHBondContact N-O 2.72Å; V429-I487 VanDerWaalsContact N-O 3.08Å; V429-I487 PolarHBondContact O-N 3.2Å; V429-L489 HydrophobicContact CG2-CD2 4.16Å
430	L	97.6	Very high	91.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.7	169.3	-161.1	70.8	0	0	0	109.6	S422 I424 I484 L486 L504 L592 I595 V614 I621	S422-L430 PolarHBondContact N-O 3.12Å; S422-L430 PolarHBondContact O-N 3.35Å; I424-L430 HydrophobicContact CD1-CB 4.24Å; I424-L430 HydrophobicContact CG1-CB 4.44Å; I424-L430 HydrophobicContact CG2-CB 3.84Å; L430-I484 HydrophobicContact CD1-CD1 4.02Å; L430-I484 HydrophobicContact CD1-CG1 3.96Å; L430-I484 HydrophobicContact CD2-CD1 4.37Å; L430-I484 HydrophobicContact CG-CD1 4.46Å; L430-I484 HydrophobicContact CG-CG1 4.41Å; L430-L486 HydrophobicContact CD1-CD2 3.5Å; L430-L486 HydrophobicContact CD1-CG 3.79Å; L430-L504 HydrophobicContact CD2-CD2 4.18Å; L430-L592 HydrophobicContact CB-CD2 4.42Å; L430-L592 HydrophobicContact CD2-CD2 3.76Å; L430-I595 HydrophobicContact CD2-CD1 3.75Å; L430-I595 HydrophobicContact CD2-CG1 4.36Å; L430-I595 HydrophobicContact CG-CD1 3.8Å; L430-V614 HydrophobicContact CD2-CG1 4.1Å; L430-V614 HydrophobicContact CD2-CG2 4.37Å; L430-I621 HydrophobicContact CD1-CD1 4.18Å; L430-I621 HydrophobicContact CD1-CG1 4.16Å; L430-I621 HydrophobicContact CD2-CD1 3.88Å
431	T	97.4	Very high	90.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-175.4	-178.5	-171.7	0	0	0	0	110.4	L408 G420 F436 A485 I487 G579	L408-T431 HydrophobicContact CD1-CG2 3.94Å; L408-T431 WeakPolarHBondContact CD1-OG1 3.34Å; G420-T431 PolarHBondContact O-OG1 3.5Å; T431-F436 HydrophobicContact CG2-CE2 3.7Å; T431-F436 HydrophobicContact CG2-CZ 3.95Å; T431-A485 HydrophobicContact CG2-CB 4.27Å; T431-A485 PolarHBondContact N-O 2.9Å; T431-A485 PolarHBondContact O-N 3.08Å; T431-I487 HydrophobicContact CG2-CD1 3.96Å; T431-I487 HydrophobicContact CG2-CG1 4.08Å; T431-G579 VanDerWaalsContact OG1-CA 3.3Å; T431-G579 WeakPolarHBondContact OG1-CA 3.01Å
432	A	94.9	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.			trans	-81.1	152.4	175.9	0	0	0	0	0	111.1	I595	A432-I595 HydrophobicContact CB-CG2 4.19Å
433	A	94.8	Very high	90.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-74.1	-39.6	176.8	0	0	0	0	0	111.7	C435 F436 I471 Y475 D483 A485	A433-C435 PolarHBondContact O-N 3.29Å; A433-F436 PolarHBondContact O-N 2.67Å; A433-I471 HydrophobicContact CB-CG2 3.87Å; A433-Y475 HydrophobicContact CB-CD1 3.65Å; A433-Y475 HydrophobicContact CB-CD2 3.67Å; A433-Y475 HydrophobicContact CB-CE1 3.87Å; A433-Y475 HydrophobicContact CB-CE2 3.89Å; A433-Y475 HydrophobicContact CB-CG 3.56Å; A433-D483 WeakPolarHBondContact CA-OD1 3.08Å; A433-D483 WeakPolarHBondContact CB-OD1 3.26Å; A433-D483 PolarHBondContact N-OD1 2.03Å; A433-A485 HydrophobicContact CB-CB 4.48Å
434	H	92.6	Very high	90	Very high	48 Å²	48	37.5 Å²	37.5	22%	0.222	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.5	-19.1	-178	77.4	-103	0	0	0	113.7	F436 D437 Y475 D483 S578 S597	H434-F436 PolarHBondContact O-N 2.76Å; H434-D437 WeakPolarHBondContact O-CB 3.5Å; H434-D437 PolarHBondContact O-N 3.31Å; H434-Y475 WeakPolarHBondContact CA-OH 3.3Å; H434-Y475 WeakPolarHBondContact CB-OH 3.39Å; H434-D483 IonicContact CE1-OD2 2.69Å; H434-D483 IonicContact CG-OD1 2.66Å; H434-D483 IonicContact CG-OD2 2.97Å; H434-D483 PolarHBondContact N-OD1 2.88Å; H434-D483 IonicContact ND1-OD1 3.28Å; H434-D483 PolarHBondContact ND1-OD1 2.84Å; H434-D483 IonicContact ND1-OD2 2.7Å; H434-D483 PolarHBondContact ND1-OD2 3.29Å; H434-S578 WeakPolarHBondContact NE2-CB 3.49Å; H434-S578 PolarHBondContact NE2-OG 3.06Å; H434-S597 PolarHBondContact CE1-O 3.44Å
435	C	92	Very high	90.2	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.068	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-58.6	-23.9	172.5	-70.8	0	0	0	0	113.2	C419 A433 W445	C419-C435 HydrophobicContact CB-CB 3.88Å; C419-C435 WeakPolarHBondContact CB-SG 3.48Å; C419-C435 WeakPolarHBondContact SG-CB 3.44Å; C419-C435 CovalentContact SG-SG 2.04Å; C419-C435 PolarHBondContact SG-SG 3.36Å; A433-C435 PolarHBondContact O-N 3.29Å; C435-W445 WeakPolarHBondContact O-CH2 3.24Å; C435-W445 VanDerWaalsContact O-CZ2 3.24Å; C435-W445 WeakPolarHBondContact O-CZ2 3.18Å
436	F	92.3	Very high	90.8	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.013	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-101.1	2.9	-178.3	-56.1	-71.7	0	0	0	113.6	T431 A433 H434 G438 L439 W445 I469 I471 A485 I487	T431-F436 HydrophobicContact CG2-CE2 3.7Å; T431-F436 HydrophobicContact CG2-CZ 3.95Å; A433-F436 PolarHBondContact O-N 2.67Å; H434-F436 PolarHBondContact O-N 2.76Å; F436-G438 PolarHBondContact O-N 2.67Å; F436-L439 CarbonylContact O-C 3.54Å; F436-L439 PolarHBondContact O-N 2.87Å; F436-W445 HydrophobicContact CD1-CD2 4.48Å; F436-W445 AromaticContact CD1-CE2 3.66Å; F436-W445 HydrophobicContact CD1-CH2 4.3Å; F436-W445 AromaticContact CD1-CZ2 3.57Å; F436-W445 HydrophobicContact CD1-CZ2 3.57Å; F436-W445 AromaticContact CD1-NE1 3.78Å; F436-W445 HydrophobicContact CE1-CD2 4.11Å; F436-W445 AromaticContact CE1-CE2 3.74Å; F436-W445 HydrophobicContact CE1-CH2 4.28Å; F436-W445 AromaticContact CE1-CZ2 3.85Å; F436-W445 HydrophobicContact CE1-CZ2 3.85Å; F436-I469 HydrophobicContact CD1-CD1 3.76Å; F436-I469 HydrophobicContact CD1-CG2 4.01Å; F436-I469 HydrophobicContact CD2-CG2 3.82Å; F436-I469 HydrophobicContact CE1-CD1 3.76Å; F436-I469 HydrophobicContact CE1-CG1 4.26Å; F436-I469 HydrophobicContact CE1-CG2 4.03Å; F436-I469 HydrophobicContact CE2-CG2 3.83Å; F436-I469 HydrophobicContact CG-CG2 3.9Å; F436-I469 HydrophobicContact CZ-CG2 3.94Å; F436-I471 HydrophobicContact CB-CD1 4.09Å; F436-I471 HydrophobicContact CD2-CG1 4.46Å; F436-A485 HydrophobicContact CD2-CB 4.03Å; F436-A485 HydrophobicContact CE2-CB 3.7Å; F436-I487 HydrophobicContact CZ-CD1 3.84Å; F436-I487 HydrophobicContact CZ-CG1 3.99Å
437	D	87.7	Confident	91.5	Very high	58 Å²	58	35.7 Å²	35.7	31%	0.31	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	120.8	179.2	-73.3	-15.3	0	0	0	110.7	H434 L439 Y475 I477	H434-D437 WeakPolarHBondContact O-CB 3.5Å; H434-D437 PolarHBondContact O-N 3.31Å; D437-L439 PolarHBondContact O-N 2.94Å; D437-Y475 PolarHBondContact OD2-OH 2.85Å; D437-I477 HydrophobicContact CB-CD1 4.4Å
438	G	81.7	Confident	91.5	Very high	76 Å²	76	33.5 Å²	33.5	78%	0.784	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	-2.7	-174.4	0	0	0	0	0	115.6	F436 P440	F436-G438 PolarHBondContact O-N 2.67Å; G438-P440 VanDerWaalsContact C-CD 3.49Å
439	L	83.6	Confident	91.2	Very high	42 Å²	42	33.6 Å²	33.6	22%	0.22	20%	0.201	C	C	.	.			trans	-133.9	54.6	-179.6	-65.5	173.5	0	0	0	113.2	V410 L412 L418 F436 D437 L441 W445	V410-L439 HydrophobicContact CG1-CD1 4.37Å; V410-L439 HydrophobicContact CG2-CD1 4.28Å; L412-L439 HydrophobicContact CD1-CD2 4.41Å; L418-L439 HydrophobicContact CD1-CD1 3.9Å; F436-L439 CarbonylContact O-C 3.54Å; F436-L439 PolarHBondContact O-N 2.87Å; D437-L439 PolarHBondContact O-N 2.94Å; L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 3.16Å; L439-W445 HydrophobicContact CB-CZ2 4.17Å; L439-W445 PolarHBondContact O-NE1 2.04Å
440	P	78.1	Confident	90.4	Very high	84 Å²	84	34.4 Å²	34.4	55%	0.545	21%	0.21	S	C	.	.			trans	-77.5	-6.5	-174.7	34.1	-38.9	0	0	0	114.7	G438 P442	G438-P440 VanDerWaalsContact C-CD 3.49Å; P440-P442 WeakPolarHBondContact O-CD 3.35Å
441	L	86.3	Confident	89.8	Confident	115 Å²	115	35.8 Å²	35.8	60%	0.602	22%	0.217	S	C	*	.			trans	-78.8	116.9	-173.6	-66	174.1	0	0	0	111.3	L439 D443 V444 W445	L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 3.16Å; L441-D443 VanDerWaalsContact C-N 3.29Å; L441-D443 PolarHBondContact O-N 3.45Å; L441-V444 WeakPolarHBondContact O-CG2 3.23Å; L441-W445 VanDerWaalsContact O-CD1 3.26Å
442	P	89.5	Confident	88.8	Confident	37 Å²	37	36.6 Å²	36.6	24%	0.24	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-56.4	-36.1	-177.6	-29.5	38.2	0	0	0	115.1	P440 V444 W445 I466 I469	P440-P442 WeakPolarHBondContact O-CD 3.35Å; P442-V444 VanDerWaalsContact C-N 3.29Å; P442-V444 PolarHBondContact O-N 2.86Å; P442-W445 WeakPolarHBondContact O-CB 3.36Å; P442-W445 PolarHBondContact O-N 3.33Å; P442-W445 VanDerWaalsContact O-N 3.12Å; P442-I466 HydrophobicContact CB-CB 4.02Å; P442-I466 HydrophobicContact CB-CG2 3.95Å; P442-I469 HydrophobicContact CG-CD1 4.16Å; P442-I469 HydrophobicContact CG-CG1 4.38Å
443	D	90.1	Very high	88.3	Confident	135 Å²	135	38.2 Å²	38.2	72%	0.722	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-66.4	-22.9	-170	-60.7	-39.3	0	0	0	115	L441 W445	L441-D443 VanDerWaalsContact C-N 3.29Å; L441-D443 PolarHBondContact O-N 3.45Å; D443-W445 VanDerWaalsContact C-N 3.33Å
444	V	92.6	Very high	88	Confident	27 Å²	27	39.5 Å²	39.5	16%	0.164	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-81.3	-16.8	178.3	-53.8	0	0	0	0	112.5	V410 K411 L412 L441 P442	V410-V444 WeakPolarHBondContact CA-O 3.45Å; V410-V444 HydrophobicContact CG1-CB 4.32Å; V410-V444 HydrophobicContact CG1-CG2 4.06Å; V410-V444 HydrophobicContact CG2-CG2 4.35Å; K411-V444 PolarHBondContact N-O 2.82Å; L412-V444 HydrophobicContact CD2-CB 4.24Å; L412-V444 HydrophobicContact CD2-CG1 3.89Å; L441-V444 WeakPolarHBondContact O-CG2 3.23Å; P442-V444 VanDerWaalsContact C-N 3.29Å; P442-V444 PolarHBondContact O-N 2.86Å
445	W	95.3	Very high	87.9	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	148.1	-175.9	-69.8	93.2	0	0	0	113.1	L408 Q409 V410 L418 C435 F436 L439 L441 P442 D443 I466	L408-W445 HydrophobicContact CB-CE3 4.08Å; L408-W445 HydrophobicContact CB-CZ3 3.81Å; Q409-W445 CarbonylContact O-C 3.59Å; Q409-W445 WeakPolarHBondContact O-CA 3.49Å; V410-W445 HydrophobicContact CG2-CD2 3.46Å; V410-W445 VanDerWaalsContact CG2-CD2 3.46Å; V410-W445 HydrophobicContact CG2-CE3 3.5Å; V410-W445 HydrophobicContact CG2-CG 4.15Å; V410-W445 HydrophobicContact CG2-CH2 3.71Å; V410-W445 HydrophobicContact CG2-CZ2 3.67Å; V410-W445 HydrophobicContact CG2-CZ3 3.63Å; L418-W445 HydrophobicContact CB-CH2 4.32Å; L418-W445 HydrophobicContact CB-CZ3 4.28Å; L418-W445 HydrophobicContact CD1-CH2 3.79Å; L418-W445 HydrophobicContact CD1-CZ2 4.44Å; L418-W445 HydrophobicContact CD1-CZ3 4.23Å; C435-W445 WeakPolarHBondContact O-CH2 3.24Å; C435-W445 VanDerWaalsContact O-CZ2 3.24Å; C435-W445 WeakPolarHBondContact O-CZ2 3.18Å; F436-W445 HydrophobicContact CD1-CD2 4.48Å; F436-W445 AromaticContact CD1-CE2 3.66Å; F436-W445 HydrophobicContact CD1-CH2 4.3Å; F436-W445 AromaticContact CD1-CZ2 3.57Å; F436-W445 HydrophobicContact CD1-CZ2 3.57Å; F436-W445 AromaticContact CD1-NE1 3.78Å; F436-W445 HydrophobicContact CE1-CD2 4.11Å; F436-W445 AromaticContact CE1-CE2 3.74Å; F436-W445 HydrophobicContact CE1-CH2 4.28Å; F436-W445 AromaticContact CE1-CZ2 3.85Å; F436-W445 HydrophobicContact CE1-CZ2 3.85Å; L439-W445 HydrophobicContact CB-CZ2 4.17Å; L439-W445 PolarHBondContact O-NE1 2.04Å; L441-W445 VanDerWaalsContact O-CD1 3.26Å; P442-W445 WeakPolarHBondContact O-CB 3.36Å; P442-W445 PolarHBondContact O-N 3.33Å; P442-W445 VanDerWaalsContact O-N 3.12Å; D443-W445 VanDerWaalsContact C-N 3.33Å; W445-I466 HydrophobicContact CB-CD1 3.41Å; W445-I466 VanDerWaalsContact CB-CD1 3.41Å; W445-I466 HydrophobicContact CB-CG1 4.14Å; W445-I466 HydrophobicContact CG-CD1 3.87Å
446	R	94.5	Very high	87.5	Confident	41 Å²	41	43.5 Å²	43.5	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.7	174.6	-63	-178.9	163.4	51.2	7.3	108.7	Q409 Y448 F463	Q409-R446 PolarHBondContact N-O 3.09Å; Q409-R446 PolarHBondContact O-N 2.97Å; R446-Y448 HydrophobicContact CB-CD2 4.33Å; R446-Y448 HydrophobicContact CB-CE2 3.66Å; R446-F463 HydrophobicContact CB-CB 4.15Å; R446-F463 HydrophobicContact CB-CD2 3.85Å; R446-F463 HydrophobicContact CB-CG 4.04Å; R446-F463 HydrophobicContact CG-CD2 3.61Å; R446-F463 HydrophobicContact CG-CE2 3.78Å; R446-F463 HydrophobicContact CG-CG 4.04Å; R446-F463 HydrophobicContact CG-CZ 4.34Å
447	I	96.3	Very high	87.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.6	-179.4	-56.8	-172.8	0	0	0	108.4	V406 L408 V429 F463 S464 I466 I487 L489	V406-I447 HydrophobicContact CB-CG2 3.88Å; V406-I447 HydrophobicContact CG1-CG2 4.17Å; V406-I447 HydrophobicContact CG2-CG2 3.99Å; L408-I447 HydrophobicContact CD2-CB 4.35Å; L408-I447 HydrophobicContact CD2-CD1 3.8Å; L408-I447 HydrophobicContact CD2-CG1 3.66Å; L408-I447 HydrophobicContact CD2-CG2 4.09Å; V429-I447 HydrophobicContact CG2-CD1 4.46Å; V429-I447 HydrophobicContact CG2-CG2 4.36Å; I447-F463 WeakPolarHBondContact O-CA 3.38Å; I447-S464 PolarHBondContact N-O 2.85Å; I447-S464 VanDerWaalsContact N-O 3.11Å; I447-S464 PolarHBondContact O-N 2.91Å; I447-I466 HydrophobicContact CD1-CD1 3.97Å; I447-I466 HydrophobicContact CD1-CG1 3.76Å; I447-I466 HydrophobicContact CG1-CD1 4.38Å; I447-I466 HydrophobicContact CG1-CG1 4.2Å; I447-I487 HydrophobicContact CD1-CB 4.41Å; I447-I487 HydrophobicContact CD1-CD1 3.69Å; I447-I487 HydrophobicContact CD1-CG2 3.86Å; I447-L489 HydrophobicContact CD1-CD2 3.68Å
448	Y	93.4	Very high	87.3	Confident	6 Å²	6	45.3 Å²	45.3	2%	0.024	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.9	176	-64.1	-89	0	0	0	109.6	V406 S407 Q409 Q415 R446 I457 T461 F463	V406-Y448 CarbonylContact C-O 3.6Å; V406-Y448 VanDerWaalsContact CA-O 3.3Å; V406-Y448 WeakPolarHBondContact CA-O 3.23Å; V406-Y448 WeakPolarHBondContact CB-O 3.35Å; S407-Y448 PolarHBondContact N-O 2.71Å; S407-Y448 PolarHBondContact O-N 3.26Å; Q409-Y448 HydrophobicContact CB-CD2 4.48Å; Q409-Y448 HydrophobicContact CB-CE2 4.3Å; Q409-Y448 HydrophobicContact CG-CD2 3.92Å; Q409-Y448 HydrophobicContact CG-CE2 4.11Å; Q415-Y448 PolarHBondContact NE2-OH 3.03Å; R446-Y448 HydrophobicContact CB-CD2 4.33Å; R446-Y448 HydrophobicContact CB-CE2 3.66Å; Y448-I457 HydrophobicContact CD1-CD1 4.26Å; Y448-I457 HydrophobicContact CD1-CG1 4.37Å; Y448-I457 HydrophobicContact CD1-CG2 4.15Å; Y448-I457 HydrophobicContact CD2-CD1 4.12Å; Y448-I457 HydrophobicContact CE1-CG2 3.55Å; Y448-I457 HydrophobicContact CE2-CG2 4.08Å; Y448-I457 HydrophobicContact CG-CD1 3.96Å; Y448-T461 HydrophobicContact CD1-CG2 3.89Å; Y448-T461 HydrophobicContact CE1-CG2 3.81Å; Y448-F463 HydrophobicContact CD1-CB 3.99Å; Y448-F463 HydrophobicContact CE1-CB 3.64Å; Y448-F463 HydrophobicContact CE2-CB 4.2Å; Y448-F463 HydrophobicContact CG-CB 4.41Å
449	S	87.6	Confident	87.3	Confident	20 Å²	20	51 Å²	51	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	150	175.5	48.6	0	0	0	0	110.7	I451 Q499	S449-I451 VanDerWaalsContact C-N 3.33Å; S449-I451 PolarHBondContact O-N 2.99Å; S449-Q499 PolarHBondContact OG-OE1 3.48Å
450	G	80.2	Confident	87.2	Confident	18 Å²	18	56.2 Å²	56.2	19%	0.186	30%	0.303	C	S	.	.	S	Bend	trans	62.2	37.1	177.7	0	0	0	0	0	114.1	W399 F498	W399-G450 VanDerWaalsContact CZ3-O 3.26Å; W399-G450 WeakPolarHBondContact CZ3-O 3.02Å; G450-F498 WeakPolarHBondContact CA-O 2.99Å
451	I	84.1	Confident	87.2	Confident	29 Å²	29	53.3 Å²	53.3	15%	0.149	28%	0.284	C	S	.	.			trans	-103.8	142.3	172.4	-62.5	-57.5	0	0	0	109.3	S449 N453 I457 T461	S449-I451 VanDerWaalsContact C-N 3.33Å; S449-I451 PolarHBondContact O-N 2.99Å; I451-N453 WeakPolarHBondContact CG2-O 3.22Å; I451-I457 HydrophobicContact CD1-CG1 4.42Å; I451-I457 HydrophobicContact CG1-CD1 4.42Å; I451-I457 HydrophobicContact CG1-CG1 4.4Å; I451-I457 HydrophobicContact CG2-CD1 4.22Å; I451-I457 HydrophobicContact CG2-CG1 4.26Å; I451-T461 HydrophobicContact CD1-CG2 4.33Å
452	L	77	Confident	87.1	Confident	17 Å²	17	53.3 Å²	53.3	9%	0.089	29%	0.291	C	S	.	.	S	Bend	trans	-101.3	-52.1	169	-173	68.8	0	0	0	111.7	W399 W522 I534 L535	W399-L452 HydrophobicContact CD2-CB 3.95Å; W399-L452 HydrophobicContact CD2-CD2 4.36Å; W399-L452 HydrophobicContact CE3-CB 4.35Å; W399-L452 HydrophobicContact CG-CB 4.48Å; W399-L452 HydrophobicContact CG-CD2 4.1Å; W399-L452 HydrophobicContact CH2-CB 4.14Å; W399-L452 HydrophobicContact CZ2-CB 3.72Å; W399-L452 HydrophobicContact CZ3-CB 4.45Å; L452-W522 PolarHBondContact O-NE1 3.32Å; L452-W522 VanDerWaalsContact O-NE1 3.1Å; L452-I534 HydrophobicContact CD1-CG2 4.44Å; L452-I534 HydrophobicContact CG-CG2 4.2Å; L452-L535 HydrophobicContact CD1-CB 4.1Å; L452-L535 PolarHBondContact O-N 2.82Å
453	N	85.8	Confident	87.1	Confident	33 Å²	33	55.1 Å²	55.1	18%	0.176	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-106.4	136.8	-179.4	-46.4	-21.2	0	0	0	110.6	I451 S455 D456 D533	I451-N453 WeakPolarHBondContact CG2-O 3.22Å; N453-S455 VanDerWaalsContact C-N 3.26Å; N453-S455 PolarHBondContact O-N 2.98Å; N453-D456 WeakPolarHBondContact CB-OD2 3.3Å; N453-D456 PolarHBondContact ND2-OD2 3.43Å; N453-D456 WeakPolarHBondContact O-CB 3.47Å; N453-D456 PolarHBondContact O-N 2.85Å; N453-D533 CarbonylContact C-O 3.54Å; N453-D533 VanDerWaalsContact CA-O 3.27Å; N453-D533 WeakPolarHBondContact CA-O 3.21Å
454	L	88.4	Confident	87.3	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.141	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-69.3	-27.1	175.4	-62.6	-178.5	0	0	0	112.2	H417 D456 I457 W522 I531 D533	H417-L454 HydrophobicContact CB-CD1 3.98Å; L454-D456 PolarHBondContact O-N 2.87Å; L454-I457 HydrophobicContact CD2-CD1 4.14Å; L454-I457 WeakPolarHBondContact O-CB 3.33Å; L454-I457 PolarHBondContact O-N 3.19Å; L454-I457 VanDerWaalsContact O-N 3.16Å; L454-W522 HydrophobicContact CD1-CB 3.82Å; L454-W522 HydrophobicContact CD1-CG 3.87Å; L454-W522 HydrophobicContact CD2-CD2 3.97Å; L454-W522 HydrophobicContact CD2-CG 4.03Å; L454-W522 HydrophobicContact CD2-CZ2 4.44Å; L454-W522 HydrophobicContact CG-CB 4.41Å; L454-W522 HydrophobicContact CG-CD2 4.36Å; L454-W522 HydrophobicContact CG-CG 3.91Å; L454-I531 HydrophobicContact CD1-CG2 3.48Å; L454-I531 VanDerWaalsContact CD1-CG2 3.48Å; L454-D533 PolarHBondContact N-O 3.44Å; L454-D533 PolarHBondContact N-OD1 3.16Å; L454-D533 VanDerWaalsContact N-OD1 3.07Å
455	S	89.5	Confident	87.3	Confident	75 Å²	75	53 Å²	53	52%	0.524	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21	174.2	58	0	0	0	0	114	N453 I457 D533	N453-S455 VanDerWaalsContact C-N 3.26Å; N453-S455 PolarHBondContact O-N 2.98Å; S455-I457 PolarHBondContact O-N 2.92Å; S455-D533 VanDerWaalsContact CB-OD1 3.25Å; S455-D533 WeakPolarHBondContact CB-OD1 3.35Å; S455-D533 WeakPolarHBondContact CB-OD2 3.25Å; S455-D533 PolarHBondContact N-OD1 2.84Å; S455-D533 VanDerWaalsContact OG-CG 3.25Å; S455-D533 PolarHBondContact OG-OD1 3.2Å; S455-D533 VanDerWaalsContact OG-OD1 3.09Å; S455-D533 PolarHBondContact OG-OD2 2.88Å
456	D	82.8	Confident	87.3	Confident	68 Å²	68	53.3 Å²	53.3	36%	0.364	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-73.9	-7.3	173.5	-60.5	-24.5	0	0	0	112.4	N453 L454 T458 T461	N453-D456 WeakPolarHBondContact CB-OD2 3.3Å; N453-D456 PolarHBondContact ND2-OD2 3.43Å; N453-D456 WeakPolarHBondContact O-CB 3.47Å; N453-D456 PolarHBondContact O-N 2.85Å; L454-D456 PolarHBondContact O-N 2.87Å; D456-T458 PolarHBondContact O-N 3.2Å; D456-T461 PolarHBondContact O-OG1 3.31Å
457	I	88.2	Confident	87.3	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.133	30%	0.303	C	S	.	.			trans	-87.8	101.9	-178.2	-58.6	172.7	0	0	0	110.2	Y448 I451 L454 S455 T461	Y448-I457 HydrophobicContact CD1-CD1 4.26Å; Y448-I457 HydrophobicContact CD1-CG1 4.37Å; Y448-I457 HydrophobicContact CD1-CG2 4.15Å; Y448-I457 HydrophobicContact CD2-CD1 4.12Å; Y448-I457 HydrophobicContact CE1-CG2 3.55Å; Y448-I457 HydrophobicContact CE2-CG2 4.08Å; Y448-I457 HydrophobicContact CG-CD1 3.96Å; I451-I457 HydrophobicContact CD1-CG1 4.42Å; I451-I457 HydrophobicContact CG1-CD1 4.42Å; I451-I457 HydrophobicContact CG1-CG1 4.4Å; I451-I457 HydrophobicContact CG2-CD1 4.22Å; I451-I457 HydrophobicContact CG2-CG1 4.26Å; L454-I457 HydrophobicContact CD2-CD1 4.14Å; L454-I457 WeakPolarHBondContact O-CB 3.33Å; L454-I457 PolarHBondContact O-N 3.19Å; L454-I457 VanDerWaalsContact O-N 3.16Å; S455-I457 PolarHBondContact O-N 2.92Å; I457-T461 HydrophobicContact CG2-CG2 4.48Å
458	T	88.4	Confident	87.2	Confident	72 Å²	72	61.3 Å²	61.3	44%	0.442	32%	0.32	S	S	.	.			trans	-96.8	-172.8	174.9	79.2	0	0	0	0	111.4	D456 E460 T461	D456-T458 PolarHBondContact O-N 3.2Å; T458-E460 WeakPolarHBondContact CB-OE2 3.02Å; T458-E460 PolarHBondContact O-N 3.23Å; T458-E460 PolarHBondContact OG1-N 3.09Å; T458-E460 PolarHBondContact OG1-OE2 3.24Å; T458-T461 PolarHBondContact N-OG1 2.89Å; T458-T461 PolarHBondContact OG1-OG1 3.13Å
459	K	82.3	Confident	87.3	Confident	197 Å²	197	62.6 Å²	62.6	86%	0.857	33%	0.327	S	S	*	.	S	Bend	trans	-72	-21.2	175.5	-68.9	175.1	-178.6	173	0	112.4
460	E	81.3	Confident	87.7	Confident	150 Å²	150	62.5 Å²	62.5	70%	0.701	33%	0.325	S	S	*	.	S	Bend	trans	-93.6	-16.3	-176	-56.1	69.5	-150	0	0	112.1	T458	T458-E460 WeakPolarHBondContact CB-OE2 3.02Å; T458-E460 PolarHBondContact O-N 3.23Å; T458-E460 PolarHBondContact OG1-N 3.09Å; T458-E460 PolarHBondContact OG1-OE2 3.24Å
461	T	78.8	Confident	88.4	Confident	23 Å²	23	64.6 Å²	64.6	14%	0.141	33%	0.331	C	S	.	.	S	Bend	trans	-61.1	123.1	178.8	-55.6	0	0	0	0	110.7	Y448 I451 D456 I457 T458	Y448-T461 HydrophobicContact CD1-CG2 3.89Å; Y448-T461 HydrophobicContact CE1-CG2 3.81Å; I451-T461 HydrophobicContact CD1-CG2 4.33Å; D456-T461 PolarHBondContact O-OG1 3.31Å; I457-T461 HydrophobicContact CG2-CG2 4.48Å; T458-T461 PolarHBondContact N-OG1 2.89Å; T458-T461 PolarHBondContact OG1-OG1 3.13Å
462	P	83	Confident	88.9	Confident	115 Å²	115	64.1 Å²	64.1	75%	0.747	33%	0.328	S	S	*	.			trans	-66.3	142.1	-179.7	27.8	-34.7	0	0	0	111.2
463	F	90.6	Very high	89.7	Confident	75 Å²	75	69.1 Å²	69.1	33%	0.329	35%	0.351	S	S	.	.			trans	-133.2	152.2	176.2	61.5	-87.2	0	0	0	110.5	R446 I447 Y448 Q465	R446-F463 HydrophobicContact CB-CB 4.15Å; R446-F463 HydrophobicContact CB-CD2 3.85Å; R446-F463 HydrophobicContact CB-CG 4.04Å; R446-F463 HydrophobicContact CG-CD2 3.61Å; R446-F463 HydrophobicContact CG-CE2 3.78Å; R446-F463 HydrophobicContact CG-CG 4.04Å; R446-F463 HydrophobicContact CG-CZ 4.34Å; I447-F463 WeakPolarHBondContact O-CA 3.38Å; Y448-F463 HydrophobicContact CD1-CB 3.99Å; Y448-F463 HydrophobicContact CE1-CB 3.64Å; Y448-F463 HydrophobicContact CE2-CB 4.2Å; Y448-F463 HydrophobicContact CG-CB 4.41Å; F463-Q465 HydrophobicContact CD2-CG 4.25Å; F463-Q465 HydrophobicContact CE2-CG 3.71Å
464	S	92.5	Very high	90.1	Very high	19 Å²	19	72.3 Å²	72.3	13%	0.133	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-83.4	131.8	169.5	-63	0	0	0	0	110.3	I447 L493	I447-S464 PolarHBondContact N-O 2.85Å; I447-S464 VanDerWaalsContact N-O 3.11Å; I447-S464 PolarHBondContact O-N 2.91Å; S464-L493 WeakPolarHBondContact OG-CD2 3.31Å
465	Q	93.2	Very high	90.3	Very high	99 Å²	99	72.6 Å²	72.6	46%	0.463	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-82.4	151	169.9	-70.8	178.4	-81.7	0	0	110.9	F463 Q490	F463-Q465 HydrophobicContact CD2-CG 4.25Å; F463-Q465 HydrophobicContact CE2-CG 3.71Å; Q465-Q490 HydrophobicContact CB-CB 4.01Å; Q465-Q490 PolarHBondContact O-N 2.92Å
466	I	95.3	Very high	90	Very high	9 Å²	9	76.2 Å²	76.2	5%	0.046	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.1	176.5	-57.7	-172.2	0	0	0	109.6	P442 W445 I447 E468 I469 I487	P442-I466 HydrophobicContact CB-CB 4.02Å; P442-I466 HydrophobicContact CB-CG2 3.95Å; W445-I466 HydrophobicContact CB-CD1 3.41Å; W445-I466 VanDerWaalsContact CB-CD1 3.41Å; W445-I466 HydrophobicContact CB-CG1 4.14Å; W445-I466 HydrophobicContact CG-CD1 3.87Å; I447-I466 HydrophobicContact CD1-CD1 3.97Å; I447-I466 HydrophobicContact CD1-CG1 3.76Å; I447-I466 HydrophobicContact CG1-CD1 4.38Å; I447-I466 HydrophobicContact CG1-CG1 4.2Å; I466-E468 WeakPolarHBondContact CG2-O 3.43Å; I466-I469 HydrophobicContact CD1-CD1 4.36Å; I466-I469 HydrophobicContact CD1-CG1 4.34Å; I466-I469 HydrophobicContact CG2-CD1 4.38Å; I466-I469 HydrophobicContact CG2-CG1 3.65Å; I466-I487 HydrophobicContact CB-CG2 4.04Å; I466-I487 HydrophobicContact CD1-CD1 4.31Å; I466-I487 HydrophobicContact CD1-CG2 3.61Å; I466-I487 HydrophobicContact CG1-CG2 3.61Å; I466-I487 HydrophobicContact CG2-CG2 3.45Å; I466-I487 VanDerWaalsContact CG2-CG2 3.45Å
467	K	94.2	Very high	89.6	Confident	133 Å²	133	78.8 Å²	78.8	58%	0.578	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	-39.3	168.9	178.5	173.3	-179.9	175	0	112.2	K488 Q490	K467-K488 HydrophobicContact CD-CD 4.45Å; K467-K488 PolarHBondContact N-O 2.86Å; K467-Q490 HydrophobicContact CB-CB 4.34Å
468	E	94.8	Very high	88.4	Confident	76 Å²	76	82.8 Å²	82.8	36%	0.355	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	138.1	-172.9	-163.9	-179.2	177.6	0	0	110	I466 I470 I487 K488	I466-E468 WeakPolarHBondContact CG2-O 3.43Å; E468-I470 HydrophobicContact CG-CD1 4.37Å; E468-I470 HydrophobicContact CG-CG1 3.82Å; E468-I487 WeakPolarHBondContact O-CA 3.22Å; E468-K488 HydrophobicContact CB-CB 3.84Å; E468-K488 PolarHBondContact N-O 3.15Å; E468-K488 PolarHBondContact O-N 2.69Å
469	I	95.4	Very high	87.5	Confident	33 Å²	33	84.3 Å²	84.3	17%	0.169	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	170.4	-56.2	170	0	0	0	106.6	F436 P442 I466 I471	F436-I469 HydrophobicContact CD1-CD1 3.76Å; F436-I469 HydrophobicContact CD1-CG2 4.01Å; F436-I469 HydrophobicContact CD2-CG2 3.82Å; F436-I469 HydrophobicContact CE1-CD1 3.76Å; F436-I469 HydrophobicContact CE1-CG1 4.26Å; F436-I469 HydrophobicContact CE1-CG2 4.03Å; F436-I469 HydrophobicContact CE2-CG2 3.83Å; F436-I469 HydrophobicContact CG-CG2 3.9Å; F436-I469 HydrophobicContact CZ-CG2 3.94Å; P442-I469 HydrophobicContact CG-CD1 4.16Å; P442-I469 HydrophobicContact CG-CG1 4.38Å; I466-I469 HydrophobicContact CD1-CD1 4.36Å; I466-I469 HydrophobicContact CD1-CG1 4.34Å; I466-I469 HydrophobicContact CG2-CD1 4.38Å; I466-I469 HydrophobicContact CG2-CG1 3.65Å; I469-I471 HydrophobicContact CG2-CG1 4.21Å
470	I	95.8	Very high	86.9	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.097	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	96.6	-177.5	-52	174.2	0	0	0	107.5	W428 E468 A485 L486 W620 K624	W428-I470 HydrophobicContact CH2-CD1 4.13Å; W428-I470 HydrophobicContact CZ3-CD1 4.03Å; E468-I470 HydrophobicContact CG-CD1 4.37Å; E468-I470 HydrophobicContact CG-CG1 3.82Å; I470-A485 VanDerWaalsContact O-CA 3.31Å; I470-A485 WeakPolarHBondContact O-CA 3.31Å; I470-L486 HydrophobicContact CB-CB 4.16Å; I470-L486 PolarHBondContact N-O 3.47Å; I470-L486 PolarHBondContact O-N 2.88Å; I470-W620 HydrophobicContact CG2-CH2 4.41Å; I470-W620 HydrophobicContact CG2-CZ2 3.99Å; I470-W620 WeakPolarHBondContact O-CH2 3.26Å; I470-K624 HydrophobicContact CD1-CB 4.32Å; I470-K624 HydrophobicContact CG2-CB 4.43Å; I470-K624 HydrophobicContact CG2-CD 4.16Å; I470-K624 HydrophobicContact CG2-CG 4.07Å
471	I	95	Very high	87.1	Confident	62 Å²	62	70.2 Å²	70.2	32%	0.318	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143	173.2	-65.8	165.7	0	0	0	109.2	A433 F436 I469 Q473 Y475 A485	A433-I471 HydrophobicContact CB-CG2 3.87Å; F436-I471 HydrophobicContact CB-CD1 4.09Å; F436-I471 HydrophobicContact CD2-CG1 4.46Å; I469-I471 HydrophobicContact CG2-CG1 4.21Å; I471-Q473 PolarHBondContact O-N 3.2Å; I471-Y475 HydrophobicContact CG2-CD1 3.93Å; I471-Y475 HydrophobicContact CG2-CG 4.16Å; I471-A485 HydrophobicContact CG1-CB 4.25Å
472	H	95.4	Very high	87.7	Confident	19 Å²	19	69.8 Å²	69.8	9%	0.088	36%	0.355	C	S	.	.			trans	-61.2	130.3	175.7	-172.7	-70.7	0	0	0	111.6	N474 Y475 H482 I484 Y617 W620	H472-N474 PolarHBondContact ND1-N 2.74Å; H472-N474 VanDerWaalsContact ND1-N 3.18Å; H472-N474 PolarHBondContact O-N 3.11Å; H472-Y475 WeakPolarHBondContact O-CB 3.2Å; H472-Y475 PolarHBondContact O-N 2.81Å; H472-H482 HydrophobicContact CB-CB 4.38Å; H472-H482 AromaticContact CD2-ND1 3.97Å; H472-H482 AromaticContact CE1-CE1 3.47Å; H472-H482 PolarHBondContact CE1-CE1 3.26Å; H472-H482 VanDerWaalsContact CE1-CE1 3.47Å; H472-H482 AromaticContact CE1-CG 3.73Å; H472-H482 AromaticContact CE1-ND1 2.95Å; H472-H482 PolarHBondContact CE1-ND1 3.41Å; H472-H482 AromaticContact CG-ND1 3.91Å; H472-H482 AromaticContact ND1-CG 3.59Å; H472-H482 AromaticContact ND1-ND1 3.26Å; H472-H482 PolarHBondContact ND1-ND1 2.93Å; H472-H482 AromaticContact NE2-CE1 3.95Å; H472-H482 AromaticContact NE2-ND1 3.37Å; H472-H482 PolarHBondContact NE2-ND1 3.23Å; H472-I484 HydrophobicContact CB-CG2 3.68Å; H472-I484 PolarHBondContact N-O 2.92Å; H472-Y617 AromaticContact CD2-CD1 3.83Å; H472-Y617 AromaticContact CD2-CE1 3.84Å; H472-Y617 AromaticContact NE2-CE1 3.96Å; H472-W620 HydrophobicContact CB-CH2 4.43Å; H472-W620 HydrophobicContact CB-CZ2 3.91Å; H472-W620 AromaticContact CD2-CD1 3.62Å; H472-W620 AromaticContact CD2-CD2 3.8Å; H472-W620 AromaticContact CD2-CE2 3.7Å; H472-W620 AromaticContact CD2-CG 3.77Å; H472-W620 AromaticContact CD2-NE1 3.55Å; H472-W620 AromaticContact NE2-CD1 3.89Å
473	Q	93.6	Very high	88.2	Confident	122 Å²	122	64.4 Å²	64.4	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	-168.1	-57.2	95.7	-52.1	0	0	114.4	I471	I471-Q473 PolarHBondContact O-N 3.2Å
474	N	93.4	Very high	88.5	Confident	99 Å²	99	60.9 Å²	60.9	53%	0.529	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	9.1	176.2	-57.4	-7.8	0	0	0	113.9	H472 H482	H472-N474 PolarHBondContact ND1-N 2.74Å; H472-N474 VanDerWaalsContact ND1-N 3.18Å; H472-N474 PolarHBondContact O-N 3.11Å; N474-H482 HydrophobicContact CB-CB 4.41Å
475	Y	92.3	Very high	88.7	Confident	34 Å²	34	60 Å²	60	13%	0.133	30%	0.298	C	S	.	.			trans	-67.3	137.5	175.5	177.4	-109.6	0	0	0	111	A433 H434 D437 I471 H472 I477 N481 H482 D483	A433-Y475 HydrophobicContact CB-CD1 3.65Å; A433-Y475 HydrophobicContact CB-CD2 3.67Å; A433-Y475 HydrophobicContact CB-CE1 3.87Å; A433-Y475 HydrophobicContact CB-CE2 3.89Å; A433-Y475 HydrophobicContact CB-CG 3.56Å; H434-Y475 WeakPolarHBondContact CA-OH 3.3Å; H434-Y475 WeakPolarHBondContact CB-OH 3.39Å; D437-Y475 PolarHBondContact OD2-OH 2.85Å; I471-Y475 HydrophobicContact CG2-CD1 3.93Å; I471-Y475 HydrophobicContact CG2-CG 4.16Å; H472-Y475 WeakPolarHBondContact O-CB 3.2Å; H472-Y475 PolarHBondContact O-N 2.81Å; Y475-I477 HydrophobicContact CE1-CG1 4.13Å; Y475-N481 WeakPolarHBondContact CD2-O 3.41Å; Y475-H482 WeakPolarHBondContact CD2-O 3.35Å; Y475-D483 HydrophobicContact CD2-CB 4.26Å; Y475-D483 HydrophobicContact CE2-CB 3.97Å
476	R	84	Confident	88.9	Confident	150 Å²	150	55.2 Å²	55.2	57%	0.566	28%	0.276	S	S	*	.			trans	-143	124.9	176.9	-70.7	179.3	172.2	-173.4	-2.5	109.8	S478 E479	R476-S478 PolarHBondContact O-N 2.81Å; R476-S478 VanDerWaalsContact O-N 3.13Å; R476-E479 HydrophobicContact CB-CB 4.27Å; R476-E479 HydrophobicContact CB-CG 4.34Å; R476-E479 WeakPolarHBondContact CD-OE1 3.2Å; R476-E479 IonicContact CZ-OE1 2.65Å; R476-E479 IonicContact NE-OE1 3.99Å; R476-E479 IonicContact NH1-OE1 2.75Å; R476-E479 PolarHBondContact NH1-OE1 3.26Å; R476-E479 PolarHBondContact O-N 2.67Å
477	I	74.6	Confident	89	Confident	122 Å²	122	54.8 Å²	54.8	63%	0.626	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-39.1	-178.7	-55.5	-179.8	0	0	0	111.8	D437 Y475 E479	D437-I477 HydrophobicContact CB-CD1 4.4Å; Y475-I477 HydrophobicContact CE1-CG1 4.13Å; I477-E479 PolarHBondContact O-N 3.06Å
478	S	62.7	Low	89.1	Confident	110 Å²	110	48.8 Å²	48.8	77%	0.769	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.8	-176.5	56.8	0	0	0	0	115.9	R476	R476-S478 PolarHBondContact O-N 2.81Å; R476-S478 VanDerWaalsContact O-N 3.13Å
479	E	68.6	Low	89	Confident	104 Å²	104	45.2 Å²	45.2	49%	0.486	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-11.7	-169.1	-67.9	179.1	-145.5	0	0	114.1	R476 I477 N481	R476-E479 HydrophobicContact CB-CB 4.27Å; R476-E479 HydrophobicContact CB-CG 4.34Å; R476-E479 WeakPolarHBondContact CD-OE1 3.2Å; R476-E479 IonicContact CZ-OE1 2.65Å; R476-E479 IonicContact NE-OE1 3.99Å; R476-E479 IonicContact NH1-OE1 2.75Å; R476-E479 PolarHBondContact NH1-OE1 3.26Å; R476-E479 PolarHBondContact O-N 2.67Å; I477-E479 PolarHBondContact O-N 3.06Å; E479-N481 PolarHBondContact O-N 2.04Å
480	G	70.4	Confident	88.8	Confident	21 Å²	21	48.8 Å²	48.8	22%	0.216	25%	0.247	C	C	.	.			trans	61	4.7	179.5	0	0	0	0	0	115.5	M561	G480-M561 VanDerWaalsContact O-CE 3.31Å; G480-M561 WeakPolarHBondContact O-CE 3.45Å
481	N	84.9	Confident	88.2	Confident	31 Å²	31	50.7 Å²	50.7	17%	0.166	27%	0.265	C	S	.	.			trans	-98.6	155.6	-179	-170.9	16	0	0	0	110	Y475 E479 D483 M561	Y475-N481 WeakPolarHBondContact CD2-O 3.41Å; E479-N481 PolarHBondContact O-N 2.04Å; N481-D483 PolarHBondContact O-N 2.89Å; N481-M561 HydrophobicContact CB-CE 4.26Å
482	H	91.4	Very high	87.4	Confident	13 Å²	13	51.4 Å²	51.4	6%	0.06	27%	0.274	C	S	.	.	S	Bend	trans	57.7	27.1	-175	-64.5	-82.1	0	0	0	114.6	H472 N474 Y475 I484 R560 Y617	H472-H482 HydrophobicContact CB-CB 4.38Å; H472-H482 AromaticContact CD2-ND1 3.97Å; H472-H482 AromaticContact CE1-CE1 3.47Å; H472-H482 PolarHBondContact CE1-CE1 3.26Å; H472-H482 VanDerWaalsContact CE1-CE1 3.47Å; H472-H482 AromaticContact CE1-CG 3.73Å; H472-H482 AromaticContact CE1-ND1 2.95Å; H472-H482 PolarHBondContact CE1-ND1 3.41Å; H472-H482 AromaticContact CG-ND1 3.91Å; H472-H482 AromaticContact ND1-CG 3.59Å; H472-H482 AromaticContact ND1-ND1 3.26Å; H472-H482 PolarHBondContact ND1-ND1 2.93Å; H472-H482 AromaticContact NE2-CE1 3.95Å; H472-H482 AromaticContact NE2-ND1 3.37Å; H472-H482 PolarHBondContact NE2-ND1 3.23Å; N474-H482 HydrophobicContact CB-CB 4.41Å; Y475-H482 WeakPolarHBondContact CD2-O 3.35Å; H482-I484 VanDerWaalsContact C-N 3.26Å; H482-I484 PolarHBondContact O-N 3.28Å; H482-R560 PolarHBondContact CE1-NH1 2.89Å; H482-R560 PolarHBondContact NE2-NH1 2.99Å; H482-Y617 WeakPolarHBondContact CA-OH 3.36Å; H482-Y617 AromaticContact ND1-CE1 3.62Å
483	D	94.4	Very high	86.4	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.016	27%	0.273	C	S	.	.			trans	-75	76.2	-179.3	-173.2	28.5	0	0	0	111.8	A433 H434 Y475 N481 S597 T612	A433-D483 WeakPolarHBondContact CA-OD1 3.08Å; A433-D483 WeakPolarHBondContact CB-OD1 3.26Å; A433-D483 PolarHBondContact N-OD1 2.03Å; H434-D483 IonicContact CE1-OD2 2.69Å; H434-D483 IonicContact CG-OD1 2.66Å; H434-D483 IonicContact CG-OD2 2.97Å; H434-D483 PolarHBondContact N-OD1 2.88Å; H434-D483 IonicContact ND1-OD1 3.28Å; H434-D483 PolarHBondContact ND1-OD1 2.84Å; H434-D483 IonicContact ND1-OD2 2.7Å; H434-D483 PolarHBondContact ND1-OD2 3.29Å; Y475-D483 HydrophobicContact CD2-CB 4.26Å; Y475-D483 HydrophobicContact CE2-CB 3.97Å; N481-D483 PolarHBondContact O-N 2.89Å; D483-S597 WeakPolarHBondContact CB-OG 3.21Å; D483-S597 WeakPolarHBondContact OD2-CA 3.21Å; D483-S597 VanDerWaalsContact OD2-CB 3.29Å; D483-S597 WeakPolarHBondContact OD2-CB 3.43Å; D483-S597 PolarHBondContact OD2-OG 3.34Å; D483-T612 WeakPolarHBondContact O-CB 3.06Å; D483-T612 PolarHBondContact O-OG1 2.92Å
484	I	96.8	Very high	85.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.			trans	-149.9	135.7	-179.9	-171.1	170	0	0	0	110.5	L430 H472 H482 I595 T612 Y617 W620 I621	L430-I484 HydrophobicContact CD1-CD1 4.02Å; L430-I484 HydrophobicContact CD1-CG1 3.96Å; L430-I484 HydrophobicContact CD2-CD1 4.37Å; L430-I484 HydrophobicContact CG-CD1 4.46Å; L430-I484 HydrophobicContact CG-CG1 4.41Å; H472-I484 HydrophobicContact CB-CG2 3.68Å; H472-I484 PolarHBondContact N-O 2.92Å; H482-I484 VanDerWaalsContact C-N 3.26Å; H482-I484 PolarHBondContact O-N 3.28Å; I484-I595 HydrophobicContact CB-CD1 4.37Å; I484-I595 HydrophobicContact CD1-CD1 3.8Å; I484-I595 HydrophobicContact CG1-CD1 3.66Å; I484-T612 HydrophobicContact CB-CG2 4.21Å; I484-Y617 HydrophobicContact CD1-CD1 4.34Å; I484-Y617 HydrophobicContact CD1-CD2 4.36Å; I484-Y617 HydrophobicContact CD1-CG 3.88Å; I484-Y617 HydrophobicContact CG2-CD1 3.72Å; I484-Y617 HydrophobicContact CG2-CE1 3.83Å; I484-Y617 HydrophobicContact CG2-CG 4.26Å; I484-W620 HydrophobicContact CD1-CE3 4.42Å; I484-W620 HydrophobicContact CD1-CZ3 4.23Å; I484-W620 HydrophobicContact CG1-CZ3 4.04Å; I484-W620 HydrophobicContact CG2-CE3 4.46Å; I484-W620 HydrophobicContact CG2-CZ3 4.2Å; I484-I621 HydrophobicContact CD1-CD1 4.24Å; I484-I621 HydrophobicContact CD1-CG1 4.41Å
485	A	96.7	Very high	84.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.5	174.4	0	0	0	0	0	111.1	T431 A433 F436 I470 I471	T431-A485 HydrophobicContact CG2-CB 4.27Å; T431-A485 PolarHBondContact N-O 2.9Å; T431-A485 PolarHBondContact O-N 3.08Å; A433-A485 HydrophobicContact CB-CB 4.48Å; F436-A485 HydrophobicContact CD2-CB 4.03Å; F436-A485 HydrophobicContact CE2-CB 3.7Å; I470-A485 VanDerWaalsContact O-CA 3.31Å; I470-A485 WeakPolarHBondContact O-CA 3.31Å; I471-A485 HydrophobicContact CG1-CB 4.25Å
486	L	97.3	Very high	82.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.1	168.6	-83.9	166.8	0	0	0	109.2	I424 W428 L430 I470 W620 K624 T625	I424-L486 HydrophobicContact CD1-CD2 3.63Å; W428-L486 HydrophobicContact CE3-CB 4.47Å; W428-L486 HydrophobicContact CE3-CD2 4.26Å; W428-L486 HydrophobicContact CZ3-CB 4.36Å; L430-L486 HydrophobicContact CD1-CD2 3.5Å; L430-L486 HydrophobicContact CD1-CG 3.79Å; I470-L486 HydrophobicContact CB-CB 4.16Å; I470-L486 PolarHBondContact N-O 3.47Å; I470-L486 PolarHBondContact O-N 2.88Å; L486-W620 HydrophobicContact CB-CH2 4.36Å; L486-W620 HydrophobicContact CD1-CE3 4.34Å; L486-W620 HydrophobicContact CD1-CH2 4.16Å; L486-W620 HydrophobicContact CD1-CZ3 3.79Å; L486-W620 HydrophobicContact CG-CH2 4.17Å; L486-W620 HydrophobicContact CG-CZ3 3.85Å; L486-K624 HydrophobicContact CD1-CB 3.75Å; L486-T625 HydrophobicContact CD1-CG2 4.15Å; L486-T625 HydrophobicContact CD2-CG2 4.35Å
487	I	97.2	Very high	81	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.6	170.7	-43.7	176.9	0	0	0	108.4	L408 W428 V429 T431 F436 I447 I466 E468	L408-I487 HydrophobicContact CD1-CD1 4.01Å; L408-I487 HydrophobicContact CD2-CD1 3.83Å; W428-I487 WeakPolarHBondContact CA-O 3.14Å; V429-I487 HydrophobicContact CB-CB 4.14Å; V429-I487 HydrophobicContact CB-CD1 4.24Å; V429-I487 HydrophobicContact CB-CG1 4.36Å; V429-I487 HydrophobicContact CG1-CD1 4.1Å; V429-I487 PolarHBondContact N-O 2.72Å; V429-I487 VanDerWaalsContact N-O 3.08Å; V429-I487 PolarHBondContact O-N 3.2Å; T431-I487 HydrophobicContact CG2-CD1 3.96Å; T431-I487 HydrophobicContact CG2-CG1 4.08Å; F436-I487 HydrophobicContact CZ-CD1 3.84Å; F436-I487 HydrophobicContact CZ-CG1 3.99Å; I447-I487 HydrophobicContact CD1-CB 4.41Å; I447-I487 HydrophobicContact CD1-CD1 3.69Å; I447-I487 HydrophobicContact CD1-CG2 3.86Å; I466-I487 HydrophobicContact CB-CG2 4.04Å; I466-I487 HydrophobicContact CD1-CD1 4.31Å; I466-I487 HydrophobicContact CD1-CG2 3.61Å; I466-I487 HydrophobicContact CG1-CG2 3.61Å; I466-I487 HydrophobicContact CG2-CG2 3.45Å; I466-I487 VanDerWaalsContact CG2-CG2 3.45Å; E468-I487 WeakPolarHBondContact O-CA 3.22Å
488	K	95.8	Very high	80.7	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	122.9	167.4	-163.6	166.5	-170.9	147.5	0	109.7	Q427 W428 K467 E468 S628 D629	Q427-K488 CarbonylContact O-C 3.51Å; Q427-K488 VanDerWaalsContact O-CA 3.32Å; Q427-K488 WeakPolarHBondContact O-CA 3.44Å; W428-K488 HydrophobicContact CE3-CB 4.1Å; W428-K488 HydrophobicContact CE3-CG 4.36Å; W428-K488 HydrophobicContact CH2-CB 3.94Å; W428-K488 HydrophobicContact CH2-CD 3.68Å; W428-K488 HydrophobicContact CH2-CG 3.92Å; W428-K488 HydrophobicContact CZ2-CD 3.85Å; W428-K488 HydrophobicContact CZ2-CG 4.16Å; W428-K488 HydrophobicContact CZ3-CB 3.62Å; W428-K488 HydrophobicContact CZ3-CD 4.26Å; W428-K488 HydrophobicContact CZ3-CG 4Å; K467-K488 HydrophobicContact CD-CD 4.45Å; K467-K488 PolarHBondContact N-O 2.86Å; E468-K488 HydrophobicContact CB-CB 3.84Å; E468-K488 PolarHBondContact N-O 3.15Å; E468-K488 PolarHBondContact O-N 2.69Å; K488-S628 VanDerWaalsContact NZ-C 3.27Å; K488-S628 PolarHBondContact NZ-O 3.34Å; K488-D629 IonicContact NZ-OD1 2.77Å; K488-D629 PolarHBondContact NZ-OD1 3.21Å
489	L	93.2	Very high	81	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.2	175.7	-53	-177.1	0	0	0	110.7	Q427 V429 I447 A491 L493	Q427-L489 HydrophobicContact CB-CB 4.47Å; Q427-L489 PolarHBondContact O-N 3.4Å; V429-L489 HydrophobicContact CG2-CD2 4.16Å; I447-L489 HydrophobicContact CD1-CD2 3.68Å; L489-A491 VanDerWaalsContact C-N 3.34Å; L489-A491 WeakPolarHBondContact CB-O 3.34Å; L489-L493 HydrophobicContact CD1-CD1 3.48Å; L489-L493 VanDerWaalsContact CD1-CD1 3.48Å; L489-L493 HydrophobicContact CD1-CG 3.75Å
490	Q	92.4	Very high	81.3	Confident	108 Å²	108	42.2 Å²	42.2	51%	0.505	23%	0.226	S	C	.	.	S	Bend	trans	-67.2	-34.1	178	-174	173.4	-5.7	0	0	112.9	Q465 K467	Q465-Q490 HydrophobicContact CB-CB 4.01Å; Q465-Q490 PolarHBondContact O-N 2.92Å; K467-Q490 HydrophobicContact CB-CB 4.34Å
491	A	82.3	Confident	82	Confident	60 Å²	60	41.7 Å²	41.7	50%	0.496	22%	0.219	S	C	.	.	S	Bend	trans	-124.9	149.1	174.2	0	0	0	0	0	110.1	L489	L489-A491 VanDerWaalsContact C-N 3.34Å; L489-A491 WeakPolarHBondContact CB-O 3.34Å
492	P	79	Confident	82.1	Confident	77 Å²	77	40.4 Å²	40.4	50%	0.5	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-69.3	141.7	173.5	29.9	-33.9	0	0	0	111.5	H426 Q427	H426-P492 HydrophobicContact CB-CB 4.21Å; H426-P492 WeakPolarHBondContact O-CA 3.39Å; Q427-P492 HydrophobicContact CG-CB 3.79Å
493	L	74.3	Confident	81.7	Confident	14 Å²	14	40.2 Å²	40.2	7%	0.073	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-79.4	132.7	172.1	-74.7	168.9	0	0	0	111.3	L423 H426 S464 L489	L423-L493 HydrophobicContact CD1-CD1 4.23Å; L423-L493 HydrophobicContact CD2-CD1 3.38Å; L423-L493 HydrophobicContact CG-CD1 4.47Å; H426-L493 PolarHBondContact ND1-O 3.42Å; H426-L493 PolarHBondContact O-N 3.24Å; S464-L493 WeakPolarHBondContact OG-CD2 3.31Å; L489-L493 HydrophobicContact CD1-CD1 3.48Å; L489-L493 VanDerWaalsContact CD1-CD1 3.48Å; L489-L493 HydrophobicContact CD1-CG 3.75Å
494	N	71.3	Confident	81.2	Confident	133 Å²	133	42 Å²	42	71%	0.711	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-81.1	116	167.8	-69.4	-28.2	0	0	0	109	Q499	N494-Q499 PolarHBondContact O-NE2 3.33Å
495	Y	71.3	Confident	80.3	Confident	52 Å²	52	42.2 Å²	42.2	20%	0.204	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-70.6	137.6	-177.3	-60.5	-38.2	0	0	0	112.9	V382 G425 H426 Q499 P501	V382-Y495 HydrophobicContact CB-CD2 3.86Å; V382-Y495 HydrophobicContact CB-CE2 3.61Å; V382-Y495 HydrophobicContact CG1-CD2 3.56Å; V382-Y495 HydrophobicContact CG1-CE2 3.85Å; V382-Y495 HydrophobicContact CG1-CG 4.31Å; V382-Y495 HydrophobicContact CG2-CD2 3.75Å; V382-Y495 HydrophobicContact CG2-CE2 3.53Å; G425-Y495 WeakPolarHBondContact CA-OH 3.4Å; H426-Y495 WeakPolarHBondContact CA-OH 3.36Å; H426-Y495 AromaticContact CD2-CE2 3.65Å; H426-Y495 AromaticContact CD2-CZ 3.69Å; H426-Y495 PolarHBondContact CD2-OH 3.02Å; H426-Y495 AromaticContact CE1-CD2 3.38Å; H426-Y495 WeakPolarHBondContact CE1-CD2 3.46Å; H426-Y495 AromaticContact CE1-CE2 3.06Å; H426-Y495 WeakPolarHBondContact CE1-CE2 3.44Å; H426-Y495 AromaticContact CE1-CZ 3.59Å; H426-Y495 AromaticContact CG-CE2 3.88Å; H426-Y495 AromaticContact CG-CZ 3.61Å; H426-Y495 PolarHBondContact N-OH 3.25Å; H426-Y495 AromaticContact ND1-CD2 3.94Å; H426-Y495 AromaticContact ND1-CE1 3.98Å; H426-Y495 AromaticContact ND1-CE2 3.52Å; H426-Y495 AromaticContact ND1-CZ 3.52Å; H426-Y495 AromaticContact NE2-CD2 3.8Å; H426-Y495 AromaticContact NE2-CE2 3.07Å; H426-Y495 WeakPolarHBondContact NE2-CE2 3.35Å; H426-Y495 AromaticContact NE2-CZ 3.63Å; Y495-Q499 VanDerWaalsContact CA-O 3.25Å; Y495-Q499 WeakPolarHBondContact CA-O 3.45Å; Y495-Q499 WeakPolarHBondContact CB-O 3.05Å; Y495-Q499 WeakPolarHBondContact CD1-O 3.08Å; Y495-P501 HydrophobicContact CE1-CG 4.34Å; Y495-P501 HydrophobicContact CE2-CG 4.16Å; Y495-P501 VanDerWaalsContact CZ-CD 3.48Å
496	T	57.2	Low	78.9	Confident	61 Å²	61	43.4 Å²	43.4	37%	0.374	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-133.6	176.5	175	77.9	0	0	0	0	108.7	F498 Q499 K500	T496-F498 PolarHBondContact O-N 3.48Å; T496-F498 PolarHBondContact OG1-N 2.86Å; T496-Q499 HydrophobicContact CG2-CG 4.24Å; T496-Q499 PolarHBondContact N-O 2.84Å; T496-Q499 CarbonylContact O-C 3.13Å; T496-Q499 PolarHBondContact O-N 2.87Å; T496-Q499 VanDerWaalsContact O-O 3.1Å; T496-Q499 PolarHBondContact OG1-N 3.38Å; T496-K500 WeakPolarHBondContact O-CE 3.49Å; T496-K500 WeakPolarHBondContact O-CG 3.43Å
497	E	49.7	Very low	77.1	Confident	142 Å²	142	48.1 Å²	48.1	66%	0.664	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	174.7	-58.9	-163.8	127.4	0	0	114
498	F	67.3	Low	75	Confident	88 Å²	88	50.8 Å²	50.8	39%	0.386	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-15	-179.3	-47.2	-61	0	0	0	113.7	W399 P403 G450 T496	W399-F498 HydrophobicContact CB-CD1 4.31Å; W399-F498 HydrophobicContact CB-CE1 4.02Å; W399-F498 HydrophobicContact CE3-CD1 4.23Å; P403-F498 WeakPolarHBondContact CA-O 3.44Å; G450-F498 WeakPolarHBondContact CA-O 2.99Å; T496-F498 PolarHBondContact O-N 3.48Å; T496-F498 PolarHBondContact OG1-N 2.86Å
499	Q	70.5	Confident	73.1	Confident	37 Å²	37	51.5 Å²	51.5	17%	0.173	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-136.6	106.7	176.9	63.3	-170.5	4.7	0	0	112	P403 L423 S449 N494 Y495 T496	P403-Q499 CarbonylContact O-C 3.58Å; P403-Q499 VanDerWaalsContact O-CA 3.26Å; P403-Q499 WeakPolarHBondContact O-CA 3.43Å; L423-Q499 HydrophobicContact CD1-CB 4.22Å; S449-Q499 PolarHBondContact OG-OE1 3.48Å; N494-Q499 PolarHBondContact O-NE2 3.33Å; Y495-Q499 VanDerWaalsContact CA-O 3.25Å; Y495-Q499 WeakPolarHBondContact CA-O 3.45Å; Y495-Q499 WeakPolarHBondContact CB-O 3.05Å; Y495-Q499 WeakPolarHBondContact CD1-O 3.08Å; T496-Q499 HydrophobicContact CG2-CG 4.24Å; T496-Q499 PolarHBondContact N-O 2.84Å; T496-Q499 CarbonylContact O-C 3.13Å; T496-Q499 PolarHBondContact O-N 2.87Å; T496-Q499 VanDerWaalsContact O-O 3.1Å; T496-Q499 PolarHBondContact OG1-N 3.38Å
500	K	74.3	Confident	71.3	Confident	39 Å²	39	54 Å²	54	17%	0.17	30%	0.298	C	S	.	.			trans	-149.4	151.8	-178.6	-59.3	-170	-179.6	168.1	0	110.6	T385 P403 W404 T496	T385-K500 HydrophobicContact CG2-CD 4.33Å; T385-K500 VanDerWaalsContact OG1-CD 3.28Å; T385-K500 WeakPolarHBondContact OG1-CD 3.47Å; T385-K500 PolarHBondContact OG1-NZ 2.84Å; P403-K500 CarbonylContact C-O 3.55Å; P403-K500 HydrophobicContact CB-CB 4.21Å; P403-K500 HydrophobicContact CB-CG 4.44Å; P403-K500 HydrophobicContact CG-CB 4.23Å; P403-K500 PolarHBondContact O-N 3.23Å; P403-K500 VanDerWaalsContact O-O 3.06Å; W404-K500 WeakPolarHBondContact CA-O 3.5Å; W404-K500 WeakPolarHBondContact CB-O 3.44Å; W404-K500 PolarHBondContact N-O 2.91Å; T496-K500 WeakPolarHBondContact O-CE 3.49Å; T496-K500 WeakPolarHBondContact O-CG 3.43Å
501	P	85.1	Confident	69.7	Low	10 Å²	10	55.8 Å²	55.8	7%	0.065	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.1	150.9	179.9	33.5	-35.7	0	0	0	112.4	V382 C383 L423 Y495	V382-P501 HydrophobicContact CB-CG 3.93Å; V382-P501 HydrophobicContact CG1-CG 4.47Å; C383-P501 WeakPolarHBondContact CA-O 3.36Å; C383-P501 WeakPolarHBondContact CB-O 3.13Å; L423-P501 HydrophobicContact CB-CB 4.45Å; L423-P501 CarbonylContact O-C 3.52Å; L423-P501 WeakPolarHBondContact O-CA 3.2Å; Y495-P501 HydrophobicContact CE1-CG 4.34Å; Y495-P501 HydrophobicContact CE2-CG 4.16Å; Y495-P501 VanDerWaalsContact CZ-CD 3.48Å
502	I	86.6	Confident	68.9	Low	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-86.3	152	167.3	-174.2	166.1	0	0	0	110.6	W404 L423 I424 A583 W590 L592	W404-I502 HydrophobicContact CB-CB 3.85Å; W404-I502 HydrophobicContact CB-CG2 4Å; W404-I502 HydrophobicContact CD2-CB 3.71Å; W404-I502 HydrophobicContact CD2-CD1 4.02Å; W404-I502 HydrophobicContact CD2-CG1 4.2Å; W404-I502 HydrophobicContact CE3-CB 4.01Å; W404-I502 HydrophobicContact CE3-CG1 4.41Å; W404-I502 HydrophobicContact CG-CB 3.64Å; W404-I502 HydrophobicContact CG-CD1 4.38Å; W404-I502 HydrophobicContact CG-CG2 3.97Å; W404-I502 HydrophobicContact CH2-CD1 4.43Å; W404-I502 HydrophobicContact CZ2-CD1 3.85Å; L423-I502 WeakPolarHBondContact O-CG2 3.44Å; L423-I502 PolarHBondContact O-N 3.29Å; I424-I502 HydrophobicContact CG2-CG2 4.47Å; I502-A583 HydrophobicContact CD1-CB 3.59Å; I502-W590 HydrophobicContact CD1-CB 4.38Å; I502-W590 HydrophobicContact CG1-CB 4.37Å; I502-L592 HydrophobicContact CD1-CB 3.94Å; I502-L592 HydrophobicContact CD1-CD1 4.44Å; I502-L592 HydrophobicContact CG1-CB 4.18Å; I502-L592 HydrophobicContact CG2-CB 3.82Å; I502-L592 HydrophobicContact CG2-CD1 4.45Å; I502-L592 HydrophobicContact CG2-CD2 4.12Å; I502-L592 HydrophobicContact CG2-CG 4.36Å
503	C	83.4	Confident	68.7	Low	8 Å²	8	58 Å²	58	5%	0.054	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-72.4	138.4	175.3	-64.2	0	0	0	0	109.9	C383 M589 W590 R591 L592	C383-C503 HydrophobicContact CB-CB 3.76Å; C383-C503 WeakPolarHBondContact CB-SG 3.38Å; C383-C503 PolarHBondContact O-SG 3.06Å; C383-C503 WeakPolarHBondContact SG-CA 3.43Å; C383-C503 WeakPolarHBondContact SG-CB 3.36Å; C383-C503 CovalentContact SG-SG 2.03Å; C383-C503 PolarHBondContact SG-SG 2.75Å; C503-M589 HydrophobicContact CB-SD 4.47Å; C503-W590 WeakPolarHBondContact CB-O 3.5Å; C503-W590 PolarHBondContact N-O 3.06Å; C503-R591 HydrophobicContact CB-CG 4.14Å; C503-R591 CarbonylContact O-C 3.55Å; C503-R591 VanDerWaalsContact O-CA 3.25Å; C503-R591 WeakPolarHBondContact O-CA 3.46Å; C503-L592 PolarHBondContact O-N 3.37Å
504	L	84.3	Confident	69.1	Low	42 Å²	42	58 Å²	58	22%	0.22	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-76.5	146.7	165.6	-65.4	175.5	0	0	0	110.6	I424 L430 L592 V614 M618 I621	I424-L504 HydrophobicContact CB-CD2 4.42Å; I424-L504 HydrophobicContact CD1-CD1 4.3Å; I424-L504 HydrophobicContact CG2-CD2 3.84Å; I424-L504 HydrophobicContact CG2-CG 4.41Å; L430-L504 HydrophobicContact CD2-CD2 4.18Å; L504-L592 HydrophobicContact CD2-CD2 4.24Å; L504-V614 HydrophobicContact CD2-CG1 3.87Å; L504-M618 HydrophobicContact CB-CE 3.67Å; L504-M618 HydrophobicContact CB-SD 3.71Å; L504-M618 HydrophobicContact CD1-CE 3.81Å; L504-M618 HydrophobicContact CD1-SD 4.16Å; L504-M618 HydrophobicContact CG-CE 4.37Å; L504-M618 HydrophobicContact CG-SD 4.38Å; L504-I621 HydrophobicContact CD1-CD1 4.5Å; L504-I621 HydrophobicContact CD1-CG2 3.76Å; L504-I621 HydrophobicContact CD2-CD1 4.45Å
505	P	77.4	Confident	69.4	Low	3 Å²	3	57.7 Å²	57.7	2%	0.019	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-68.6	152.4	176.5	28.6	-34.3	0	0	0	111	L592 V614 A615 M618	P505-L592 WeakPolarHBondContact CD-O 3.21Å; P505-L592 WeakPolarHBondContact CG-O 3.2Å; P505-V614 HydrophobicContact CG-CB 3.96Å; P505-V614 HydrophobicContact CG-CG1 3.94Å; P505-A615 HydrophobicContact CB-CB 4.23Å; P505-A615 HydrophobicContact CG-CB 4.03Å; P505-M618 WeakPolarHBondContact O-CG 3.32Å; P505-M618 VanDerWaalsContact O-SD 3.37Å
506	S	66.9	Low	70	Confident	25 Å²	25	57.9 Å²	57.9	18%	0.175	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-78.7	142.9	171.7	163.6	0	0	0	0	109.9	K286 G508 D509	K286-S506 WeakPolarHBondContact CD-OG 3.27Å; K286-S506 WeakPolarHBondContact CE-OG 3.45Å; K286-S506 PolarHBondContact NZ-OG 2.82Å; S506-G508 PolarHBondContact O-N 3.04Å; S506-G508 PolarHBondContact OG-N 3.43Å; S506-D509 WeakPolarHBondContact CB-OD1 3.03Å; S506-D509 PolarHBondContact N-OD2 3.18Å; S506-D509 WeakPolarHBondContact O-CA 3.37Å; S506-D509 VanDerWaalsContact O-CB 3.24Å; S506-D509 WeakPolarHBondContact O-CB 3.07Å; S506-D509 PolarHBondContact O-N 3.15Å
507	K	58.7	Low	71.6	Confident	99 Å²	99	55 Å²	55	43%	0.43	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-46.5	-25.7	163.3	-72.6	-173.6	168	-171.6	0	115.6	D509 T510 M618 D619	K507-D509 VanDerWaalsContact C-N 3.34Å; K507-T510 WeakPolarHBondContact O-CG2 3.3Å; K507-T510 PolarHBondContact O-OG1 2.97Å; K507-M618 HydrophobicContact CG-CB 4.11Å; K507-D619 WeakPolarHBondContact CE-OD1 3.43Å; K507-D619 WeakPolarHBondContact CE-OD2 3.34Å; K507-D619 IonicContact NZ-OD1 3.23Å; K507-D619 PolarHBondContact NZ-OD1 3.24Å; K507-D619 IonicContact NZ-OD2 3.3Å; K507-D619 PolarHBondContact NZ-OD2 3.28Å
508	G	55	Low	73.5	Confident	56 Å²	56	48.7 Å²	48.7	58%	0.577	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-83.7	-9.4	176	0	0	0	0	0	113.9	S506 T510	S506-G508 PolarHBondContact O-N 3.04Å; S506-G508 PolarHBondContact OG-N 3.43Å; G508-T510 PolarHBondContact O-N 3.2Å
509	D	54.6	Low	74.6	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.123	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-83.4	5.3	177.8	-54.6	-17.1	0	0	0	112.2	S506 K507 N511 T512 Y514 R591	S506-D509 WeakPolarHBondContact CB-OD1 3.03Å; S506-D509 PolarHBondContact N-OD2 3.18Å; S506-D509 WeakPolarHBondContact O-CA 3.37Å; S506-D509 VanDerWaalsContact O-CB 3.24Å; S506-D509 WeakPolarHBondContact O-CB 3.07Å; S506-D509 PolarHBondContact O-N 3.15Å; K507-D509 VanDerWaalsContact C-N 3.34Å; D509-N511 PolarHBondContact O-N 3.5Å; D509-N511 VanDerWaalsContact O-N 3.11Å; D509-T512 WeakPolarHBondContact CA-OG1 3.23Å; D509-T512 WeakPolarHBondContact O-CB 3.27Å; D509-T512 PolarHBondContact O-N 3.19Å; D509-Y514 WeakPolarHBondContact CB-OH 3.42Å; D509-Y514 PolarHBondContact OD2-OH 2.95Å; D509-R591 VanDerWaalsContact CG-NH1 3.28Å; D509-R591 IonicContact OD1-NH1 3.73Å; D509-R591 PolarHBondContact OD1-NH1 3.25Å; D509-R591 IonicContact OD2-CZ 2.69Å; D509-R591 IonicContact OD2-NH1 3.39Å; D509-R591 PolarHBondContact OD2-NH1 3.21Å
510	T	56.3	Low	75.6	Confident	51 Å²	51	43 Å²	43	31%	0.313	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-58.3	-24.5	179.5	45	0	0	0	0	113.4	K507 G508 A615 E616	K507-T510 WeakPolarHBondContact O-CG2 3.3Å; K507-T510 PolarHBondContact O-OG1 2.97Å; G508-T510 PolarHBondContact O-N 3.2Å; T510-A615 HydrophobicContact CG2-CB 4.24Å; T510-E616 VanDerWaalsContact CG2-OE1 3.24Å; T510-E616 WeakPolarHBondContact CG2-OE1 3.07Å
511	N	58.3	Low	76.4	Confident	147 Å²	147	41.3 Å²	41.3	79%	0.786	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-109.7	10.1	173.9	-62.1	-13.3	0	0	0	113.2	D509 I513	D509-N511 PolarHBondContact O-N 3.5Å; D509-N511 VanDerWaalsContact O-N 3.11Å; N511-I513 PolarHBondContact O-N 2.91Å
512	T	65.9	Low	76.6	Confident	39 Å²	39	40.9 Å²	40.9	24%	0.239	24%	0.235	C	C	.	.			trans	-76.1	124.2	177.3	-69.2	0	0	0	0	110.6	D509 Y514	D509-T512 WeakPolarHBondContact CA-OG1 3.23Å; D509-T512 WeakPolarHBondContact O-CB 3.27Å; D509-T512 PolarHBondContact O-N 3.19Å; T512-Y514 HydrophobicContact CG2-CD1 4.4Å; T512-Y514 HydrophobicContact CG2-CD2 4.18Å; T512-Y514 HydrophobicContact CG2-CE1 4.09Å; T512-Y514 HydrophobicContact CG2-CE2 3.84Å; T512-Y514 HydrophobicContact CG2-CG 4.45Å; T512-Y514 VanDerWaalsContact O-CD2 3.27Å; T512-Y514 WeakPolarHBondContact O-CD2 3.4Å; T512-Y514 PolarHBondContact O-N 3.4Å
513	I	74.6	Confident	76.3	Confident	143 Å²	143	40.8 Å²	40.8	73%	0.733	24%	0.235	S	C	*	.			trans	-80	107.3	175.5	-56.4	175.1	0	0	0	108.5	N511 T515	N511-I513 PolarHBondContact O-N 2.91Å; I513-T515 HydrophobicContact CG2-CG2 4.08Å
514	Y	81.7	Confident	75.8	Confident	16 Å²	16	43 Å²	43	6%	0.063	24%	0.244	C	C	.	.			trans	-91.4	122.5	172.2	-62.1	-87.8	0	0	0	110.3	D509 T512 C517 L542 C584 H586 V593	D509-Y514 WeakPolarHBondContact CB-OH 3.42Å; D509-Y514 PolarHBondContact OD2-OH 2.95Å; T512-Y514 HydrophobicContact CG2-CD1 4.4Å; T512-Y514 HydrophobicContact CG2-CD2 4.18Å; T512-Y514 HydrophobicContact CG2-CE1 4.09Å; T512-Y514 HydrophobicContact CG2-CE2 3.84Å; T512-Y514 HydrophobicContact CG2-CG 4.45Å; T512-Y514 VanDerWaalsContact O-CD2 3.27Å; T512-Y514 WeakPolarHBondContact O-CD2 3.4Å; T512-Y514 PolarHBondContact O-N 3.4Å; Y514-C517 WeakPolarHBondContact CB-SG 3.46Å; Y514-L542 HydrophobicContact CD2-CD1 4.25Å; Y514-C584 HydrophobicContact CD1-CB 3.42Å; Y514-C584 VanDerWaalsContact CD1-CB 3.42Å; Y514-C584 HydrophobicContact CE1-CB 4.15Å; Y514-C584 HydrophobicContact CG-CB 3.78Å; Y514-H586 HydrophobicContact CD1-CB 3.85Å; Y514-H586 HydrophobicContact CE1-CB 3.77Å; Y514-V593 HydrophobicContact CD1-CG2 4.03Å; Y514-V593 HydrophobicContact CD2-CG1 4.24Å; Y514-V593 HydrophobicContact CD2-CG2 3.91Å; Y514-V593 HydrophobicContact CE1-CG2 3.78Å; Y514-V593 HydrophobicContact CE2-CG1 4.27Å; Y514-V593 HydrophobicContact CE2-CG2 3.66Å; Y514-V593 HydrophobicContact CG-CG2 4.09Å
515	T	78.8	Confident	74.6	Confident	125 Å²	125	44.5 Å²	44.5	77%	0.767	26%	0.259	S	S	*	.			trans	-109.1	-2.5	-176.3	54.7	0	0	0	0	114.1	I513	I513-T515 HydrophobicContact CG2-CG2 4.08Å
516	N	83.8	Confident	73.5	Confident	56 Å²	56	51.6 Å²	51.6	30%	0.299	29%	0.289	S	S	.	.			trans	-139.2	82.6	-174.6	-173.9	8.5	0	0	0	109	W518 C584 K585	N516-W518 PolarHBondContact OD1-NE1 3.17Å; N516-C584 CarbonylContact O-C 3.6Å; N516-C584 VanDerWaalsContact O-CA 3.31Å; N516-C584 WeakPolarHBondContact O-CA 3.4Å; N516-K585 PolarHBondContact O-N 3.09Å
517	C	90.2	Very high	73.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.6	-171.3	-66.7	0	0	0	0	111.1	Y514 N539 I540 L542 L582 C584	Y514-C517 WeakPolarHBondContact CB-SG 3.46Å; C517-N539 CarbonylContact O-C 3.53Å; C517-N539 WeakPolarHBondContact O-CA 3.1Å; C517-N539 PolarHBondContact O-OD1 2.92Å; C517-I540 WeakPolarHBondContact CB-O 3.39Å; C517-I540 PolarHBondContact O-N 2.98Å; C517-I540 VanDerWaalsContact O-O 3.13Å; C517-L542 HydrophobicContact CB-CD2 4.43Å; C517-L582 HydrophobicContact CB-CD1 4.09Å; C517-C584 HydrophobicContact CB-CB 4.1Å; C517-C584 WeakPolarHBondContact CB-SG 3.13Å; C517-C584 WeakPolarHBondContact SG-CB 3.32Å; C517-C584 CovalentContact SG-SG 2.04Å; C517-C584 PolarHBondContact SG-SG 2.86Å
518	W	90.4	Very high	73.5	Confident	9 Å²	9	58.6 Å²	58.6	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.8	-171.9	-66.2	73	0	0	0	110.6	V392 W402 N516 K537 V538 N539 L582 A583 W590	V392-W518 HydrophobicContact CB-CH2 4.37Å; V392-W518 HydrophobicContact CG2-CH2 3.58Å; V392-W518 HydrophobicContact CG2-CZ2 3.56Å; W402-W518 HydrophobicContact CH2-CB 3.6Å; W402-W518 AromaticContact CH2-CD2 3.8Å; W402-W518 HydrophobicContact CH2-CD2 3.8Å; W402-W518 HydrophobicContact CH2-CE3 4.11Å; W402-W518 AromaticContact CH2-CG 3.59Å; W402-W518 HydrophobicContact CH2-CG 3.59Å; W402-W518 HydrophobicContact CZ2-CB 4.19Å; W402-W518 HydrophobicContact CZ2-CD2 4.01Å; W402-W518 AromaticContact CZ2-CE3 3.81Å; W402-W518 HydrophobicContact CZ2-CE3 3.81Å; W402-W518 HydrophobicContact CZ2-CG 4.2Å; W402-W518 HydrophobicContact CZ2-CZ3 4.43Å; W402-W518 HydrophobicContact CZ3-CB 4.27Å; N516-W518 PolarHBondContact OD1-NE1 3.17Å; W518-K537 HydrophobicContact CE3-CB 4.21Å; W518-K537 HydrophobicContact CE3-CG 4.41Å; W518-K537 HydrophobicContact CZ3-CB 4.39Å; W518-K537 HydrophobicContact CZ3-CD 4.24Å; W518-K537 HydrophobicContact CZ3-CG 4.08Å; W518-V538 VanDerWaalsContact CA-O 3.27Å; W518-V538 WeakPolarHBondContact CA-O 3.41Å; W518-N539 HydrophobicContact CD2-CB 3.9Å; W518-N539 HydrophobicContact CE3-CB 4.04Å; W518-N539 HydrophobicContact CH2-CB 4.09Å; W518-N539 HydrophobicContact CZ2-CB 3.89Å; W518-N539 HydrophobicContact CZ3-CB 4.12Å; W518-L582 CarbonylContact O-C 3.49Å; W518-A583 PolarHBondContact N-O 3.13Å; W518-A583 PolarHBondContact O-N 3.03Å; W518-W590 HydrophobicContact CB-CZ3 4.43Å; W518-W590 AromaticContact CD1-CH2 3.57Å; W518-W590 AromaticContact CD1-CZ3 3.64Å; W518-W590 HydrophobicContact CG-CH2 4.13Å; W518-W590 HydrophobicContact CG-CZ3 4.22Å; W518-W590 AromaticContact NE1-CH2 3.91Å
519	V	91	Very high	74.1	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141	169.1	177.1	0	0	0	0	108.9	K537 V538 I540 A573 P581 L582 Y611	V519-K537 WeakPolarHBondContact O-CA 3.14Å; V519-V538 HydrophobicContact CB-CG1 4.13Å; V519-V538 PolarHBondContact N-O 3.49Å; V519-V538 PolarHBondContact O-N 3.1Å; V519-I540 HydrophobicContact CB-CD1 4.43Å; V519-I540 HydrophobicContact CG2-CD1 3.46Å; V519-I540 VanDerWaalsContact CG2-CD1 3.46Å; V519-I540 HydrophobicContact CG2-CG1 4.12Å; V519-A573 HydrophobicContact CG1-CB 4.09Å; V519-P581 WeakPolarHBondContact CA-O 3.15Å; V519-L582 HydrophobicContact CG2-CB 4.36Å; V519-L582 HydrophobicContact CG2-CD1 3.61Å; V519-Y611 HydrophobicContact CG2-CE1 3.85Å
520	T	91	Very high	75.1	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.7	-178.5	53.1	0	0	0	0	112	W402 Q405 Q536 K537 P581	W402-T520 HydrophobicContact CB-CG2 4.4Å; W402-T520 HydrophobicContact CD2-CG2 3.59Å; W402-T520 VanDerWaalsContact CE2-CG2 3.48Å; W402-T520 HydrophobicContact CE3-CG2 4.27Å; W402-T520 HydrophobicContact CG-CG2 3.64Å; W402-T520 HydrophobicContact CZ2-CG2 4.07Å; Q405-T520 PolarHBondContact NE2-O 3.04Å; Q405-T520 VanDerWaalsContact NE2-O 3.13Å; Q405-T520 PolarHBondContact OE1-O 3.22Å; Q405-T520 PolarHBondContact OE1-OG1 2.89Å; T520-Q536 VanDerWaalsContact CA-O 3.28Å; T520-Q536 WeakPolarHBondContact CA-O 3.34Å; T520-K537 HydrophobicContact CG2-CB 3.9Å; T520-P581 WeakPolarHBondContact OG1-CG 3.39Å
521	G	90.4	Very high	76.3	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-177.3	178.3	0	0	0	0	0	113.9	Q536 D577	G521-Q536 PolarHBondContact N-O 2.84Å; G521-Q536 PolarHBondContact O-N 2.65Å; G521-D577 WeakPolarHBondContact CA-OD1 3.32Å
522	W	89.3	Confident	77.7	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	31%	0.308	C	S	.	.	S	Bend	trans	-111.4	14.8	-178.9	-62.8	-88.6	0	0	0	111.5	Q405 H417 L452 L454 I531 Q532 D533 L535 D577	Q405-W522 HydrophobicContact CG-CH2 3.58Å; Q405-W522 HydrophobicContact CG-CZ3 3.6Å; H417-W522 AromaticContact CE1-CE3 3.45Å; H417-W522 VanDerWaalsContact CE1-CE3 3.45Å; H417-W522 AromaticContact CE1-CZ3 3.89Å; L452-W522 PolarHBondContact O-NE1 3.32Å; L452-W522 VanDerWaalsContact O-NE1 3.1Å; L454-W522 HydrophobicContact CD1-CB 3.82Å; L454-W522 HydrophobicContact CD1-CG 3.87Å; L454-W522 HydrophobicContact CD2-CD2 3.97Å; L454-W522 HydrophobicContact CD2-CG 4.03Å; L454-W522 HydrophobicContact CD2-CZ2 4.44Å; L454-W522 HydrophobicContact CG-CB 4.41Å; L454-W522 HydrophobicContact CG-CD2 4.36Å; L454-W522 HydrophobicContact CG-CG 3.91Å; W522-I531 HydrophobicContact CB-CG2 4.4Å; W522-I531 WeakPolarHBondContact O-CA 3.47Å; W522-I531 WeakPolarHBondContact O-CG2 3.46Å; W522-Q532 PolarHBondContact O-N 3.23Å; W522-D533 VanDerWaalsContact CD1-O 3.26Å; W522-D533 PolarHBondContact NE1-O 2.74Å; W522-L535 HydrophobicContact CD2-CD1 3.8Å; W522-L535 HydrophobicContact CE3-CD1 3.99Å; W522-L535 HydrophobicContact CG-CD1 4.44Å; W522-L535 HydrophobicContact CH2-CD1 3.99Å; W522-L535 HydrophobicContact CZ2-CB 3.99Å; W522-L535 HydrophobicContact CZ2-CD1 3.79Å; W522-L535 HydrophobicContact CZ2-CD2 4.43Å; W522-L535 HydrophobicContact CZ2-CG 4.28Å; W522-L535 HydrophobicContact CZ3-CD1 4.08Å; W522-D577 PolarHBondContact N-OD1 2.76Å
523	G	80.8	Confident	78.7	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-66.5	176.5	178.8	0	0	0	0	0	113.7	S525 Q532 K575 D577	G523-S525 PolarHBondContact O-N 2.88Å; G523-Q532 WeakPolarHBondContact O-CG 3.31Å; G523-K575 CarbonylContact C-O 3.32Å; G523-K575 WeakPolarHBondContact CA-O 3.39Å; G523-D577 VanDerWaalsContact CA-OD1 3.31Å; G523-D577 WeakPolarHBondContact CA-OD1 3.35Å; G523-D577 PolarHBondContact N-OD1 3.07Å
524	F	72.2	Confident	79.2	Confident	54 Å²	54	56.9 Å²	56.9	24%	0.237	29%	0.291	C	S	.	.			trans	-64.9	131.4	-172	-59.6	-6.7	0	0	0	111.9	K526 G529 E530 I531 C574 K575	F524-K526 VanDerWaalsContact CB-O 3.26Å; F524-K526 WeakPolarHBondContact CB-O 3.41Å; F524-K526 PolarHBondContact O-N 2.78Å; F524-K526 VanDerWaalsContact O-N 3.15Å; F524-G529 VanDerWaalsContact CD2-O 3.31Å; F524-G529 WeakPolarHBondContact CD2-O 3.42Å; F524-G529 VanDerWaalsContact CE2-O 3.22Å; F524-G529 WeakPolarHBondContact CE2-O 3.41Å; F524-G529 WeakPolarHBondContact CZ-O 3.3Å; F524-E530 WeakPolarHBondContact CA-O 3.3Å; F524-I531 HydrophobicContact CD1-CG1 4.34Å; F524-I531 HydrophobicContact CE1-CG1 4.1Å; F524-C574 HydrophobicContact CB-CB 4.3Å; F524-C574 WeakPolarHBondContact O-CB 3.26Å; F524-K575 HydrophobicContact CD1-CB 4.41Å; F524-K575 WeakPolarHBondContact CD1-O 3.4Å; F524-K575 HydrophobicContact CD2-CB 3.92Å; F524-K575 HydrophobicContact CD2-CD 4.42Å; F524-K575 HydrophobicContact CE1-CB 4.43Å; F524-K575 HydrophobicContact CE2-CB 3.96Å; F524-K575 HydrophobicContact CE2-CD 3.99Å; F524-K575 HydrophobicContact CG-CB 4.17Å; F524-K575 HydrophobicContact CZ-CB 4.23Å; F524-K575 PolarHBondContact N-O 2.9Å
525	S	58.7	Low	79.5	Confident	75 Å²	75	56.4 Å²	56.4	52%	0.524	29%	0.29	S	S	.	.	S	Bend	trans	-69.5	-7.6	174.8	53.5	0	0	0	0	114.3	G523 Q532	G523-S525 PolarHBondContact O-N 2.88Å; S525-Q532 PolarHBondContact OG-NE2 2.9Å; S525-Q532 PolarHBondContact OG-OE1 3.12Å
526	K	54.4	Low	79.9	Confident	152 Å²	152	52.5 Å²	52.5	66%	0.661	26%	0.263	S	S	*	.	S	Bend	trans	-150.6	152.2	178.2	-59.9	-179	-175.5	172.1	0	109.6	F524 K528 G529	F524-K526 VanDerWaalsContact CB-O 3.26Å; F524-K526 WeakPolarHBondContact CB-O 3.41Å; F524-K526 PolarHBondContact O-N 2.78Å; F524-K526 VanDerWaalsContact O-N 3.15Å; K526-K528 CarbonylContact O-C 3.34Å; K526-K528 PolarHBondContact O-N 3.07Å; K526-K528 VanDerWaalsContact O-N 3.07Å; K526-G529 PolarHBondContact O-N 3.08Å; K526-G529 VanDerWaalsContact O-N 3.13Å
527	E	58.3	Low	80	Confident	70 Å²	70	51 Å²	51	33%	0.327	25%	0.254	S	S	.	.	S	Bend	trans	-52.6	-34.4	-179.2	-173.4	178.6	145.4	0	0	113.9	G601 C602 R604	E527-G601 VanDerWaalsContact CD-CA 3.45Å; E527-G601 WeakPolarHBondContact OE2-CA 3.45Å; E527-C602 HydrophobicContact CB-CB 4.09Å; E527-C602 HydrophobicContact CG-CB 4.46Å; E527-C602 PolarHBondContact OE2-N 3.09Å; E527-R604 IonicContact OE1-CZ 3.89Å; E527-R604 IonicContact OE1-NE 2.93Å; E527-R604 PolarHBondContact OE1-NE 2.72Å; E527-R604 IonicContact OE1-NH2 2.7Å; E527-R604 PolarHBondContact OE1-NH2 2.69Å; E527-R604 WeakPolarHBondContact OE2-CG 3.47Å; E527-R604 IonicContact OE2-CZ 2.71Å; E527-R604 IonicContact OE2-NE 2.68Å; E527-R604 PolarHBondContact OE2-NE 3.41Å; E527-R604 IonicContact OE2-NH2 3.43Å
528	K	68.1	Low	79.7	Confident	200 Å²	200	51.8 Å²	51.8	87%	0.87	26%	0.259	S	S	*	.	S	Bend	trans	-114.3	86.4	165.3	-62.7	-176.6	-176.5	179.5	0	108.4	K526	K526-K528 CarbonylContact O-C 3.34Å; K526-K528 PolarHBondContact O-N 3.07Å; K526-K528 VanDerWaalsContact O-N 3.07Å
529	G	67.2	Low	79.5	Confident	27 Å²	27	52.9 Å²	52.9	28%	0.278	27%	0.265	S	S	.	.			trans	-143.6	-165.6	-176.4	0	0	0	0	0	112.2	F524 K526	F524-G529 VanDerWaalsContact CD2-O 3.31Å; F524-G529 WeakPolarHBondContact CD2-O 3.42Å; F524-G529 VanDerWaalsContact CE2-O 3.22Å; F524-G529 WeakPolarHBondContact CE2-O 3.41Å; F524-G529 WeakPolarHBondContact CZ-O 3.3Å; K526-G529 PolarHBondContact O-N 3.08Å; K526-G529 VanDerWaalsContact O-N 3.13Å
530	E	75.8	Confident	79.3	Confident	156 Å²	156	52.7 Å²	52.7	73%	0.729	26%	0.264	S	S	*	.			trans	-125.6	159	179.9	-63.3	-179	164.5	0	0	110.1	F524 Q532	F524-E530 WeakPolarHBondContact CA-O 3.3Å; E530-Q532 PolarHBondContact O-N 2.92Å; E530-Q532 PolarHBondContact O-NE2 3.44Å
531	I	81.6	Confident	79.3	Confident	72 Å²	72	55.1 Å²	55.1	37%	0.369	28%	0.28	S	S	.	.			trans	-53.2	132.4	172.8	-76.7	166.9	0	0	0	108.9	H417 L454 W522 F524	H417-I531 HydrophobicContact CB-CD1 4.35Å; L454-I531 HydrophobicContact CD1-CG2 3.48Å; L454-I531 VanDerWaalsContact CD1-CG2 3.48Å; W522-I531 HydrophobicContact CB-CG2 4.4Å; W522-I531 WeakPolarHBondContact O-CA 3.47Å; W522-I531 WeakPolarHBondContact O-CG2 3.46Å; F524-I531 HydrophobicContact CD1-CG1 4.34Å; F524-I531 HydrophobicContact CE1-CG1 4.1Å
532	Q	86.6	Confident	79.4	Confident	50 Å²	50	57.4 Å²	57.4	23%	0.234	29%	0.291	C	S	.	.			trans	-82.4	136.8	176.8	-59.9	-57.4	-83.8	0	0	109.7	W522 G523 S525 E530 Q536	W522-Q532 PolarHBondContact O-N 3.23Å; G523-Q532 WeakPolarHBondContact O-CG 3.31Å; S525-Q532 PolarHBondContact OG-NE2 2.9Å; S525-Q532 PolarHBondContact OG-OE1 3.12Å; E530-Q532 PolarHBondContact O-N 2.92Å; E530-Q532 PolarHBondContact O-NE2 3.44Å; Q532-Q536 HydrophobicContact CB-CG 3.98Å; Q532-Q536 HydrophobicContact CG-CG 3.96Å
533	D	87.5	Confident	79.5	Confident	68 Å²	68	58.7 Å²	58.7	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	-68.2	-51.4	179.2	-176	37.9	0	0	0	111.5	N453 L454 S455 W522	N453-D533 CarbonylContact C-O 3.54Å; N453-D533 VanDerWaalsContact CA-O 3.27Å; N453-D533 WeakPolarHBondContact CA-O 3.21Å; L454-D533 PolarHBondContact N-O 3.44Å; L454-D533 PolarHBondContact N-OD1 3.16Å; L454-D533 VanDerWaalsContact N-OD1 3.07Å; S455-D533 VanDerWaalsContact CB-OD1 3.25Å; S455-D533 WeakPolarHBondContact CB-OD1 3.35Å; S455-D533 WeakPolarHBondContact CB-OD2 3.25Å; S455-D533 PolarHBondContact N-OD1 2.84Å; S455-D533 VanDerWaalsContact OG-CG 3.25Å; S455-D533 PolarHBondContact OG-OD1 3.2Å; S455-D533 VanDerWaalsContact OG-OD1 3.09Å; S455-D533 PolarHBondContact OG-OD2 2.88Å; W522-D533 VanDerWaalsContact CD1-O 3.26Å; W522-D533 PolarHBondContact NE1-O 2.74Å
534	I	86.1	Confident	80	Confident	50 Å²	50	62.9 Å²	62.9	26%	0.256	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-84.7	133.5	179.8	-51.4	174.6	0	0	0	109.3	N396 L452 Q536	N396-I534 HydrophobicContact CB-CG2 3.82Å; N396-I534 WeakPolarHBondContact ND2-CD1 3.18Å; L452-I534 HydrophobicContact CD1-CG2 4.44Å; L452-I534 HydrophobicContact CG-CG2 4.2Å; I534-Q536 PolarHBondContact O-N 3.43Å; I534-Q536 PolarHBondContact O-NE2 3.15Å
535	L	87.4	Confident	80.9	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.031	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-53.4	119.1	177.3	178.5	65.4	0	0	0	111.2	S397 W402 Q405 L452 W522	S397-L535 WeakPolarHBondContact CB-O 3.45Å; S397-L535 PolarHBondContact N-O 2.03Å; S397-L535 PolarHBondContact OG-O 2.67Å; W402-L535 HydrophobicContact CB-CD2 4.31Å; Q405-L535 HydrophobicContact CB-CD2 4.33Å; Q405-L535 HydrophobicContact CG-CD1 3.78Å; Q405-L535 HydrophobicContact CG-CD2 4.06Å; L452-L535 HydrophobicContact CD1-CB 4.1Å; L452-L535 PolarHBondContact O-N 2.82Å; W522-L535 HydrophobicContact CD2-CD1 3.8Å; W522-L535 HydrophobicContact CE3-CD1 3.99Å; W522-L535 HydrophobicContact CG-CD1 4.44Å; W522-L535 HydrophobicContact CH2-CD1 3.99Å; W522-L535 HydrophobicContact CZ2-CB 3.99Å; W522-L535 HydrophobicContact CZ2-CD1 3.79Å; W522-L535 HydrophobicContact CZ2-CD2 4.43Å; W522-L535 HydrophobicContact CZ2-CG 4.28Å; W522-L535 HydrophobicContact CZ3-CD1 4.08Å
536	Q	87.4	Confident	82.5	Confident	43 Å²	43	66.3 Å²	66.3	20%	0.201	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	153.9	177.6	-60.6	-56.2	-59.7	0	0	111.6	T395 N396 T520 G521 Q532 I534	T395-Q536 VanDerWaalsContact C-OE1 3.25Å; T395-Q536 PolarHBondContact O-OE1 3.04Å; N396-Q536 PolarHBondContact OD1-NE2 2.99Å; T520-Q536 VanDerWaalsContact CA-O 3.28Å; T520-Q536 WeakPolarHBondContact CA-O 3.34Å; G521-Q536 PolarHBondContact N-O 2.84Å; G521-Q536 PolarHBondContact O-N 2.65Å; Q532-Q536 HydrophobicContact CB-CG 3.98Å; Q532-Q536 HydrophobicContact CG-CG 3.96Å; I534-Q536 PolarHBondContact O-N 3.43Å; I534-Q536 PolarHBondContact O-NE2 3.15Å
537	K	85.4	Confident	84.3	Confident	25 Å²	25	61.7 Å²	61.7	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.1	171	66.2	-169.5	171	-170.4	0	111	G394 T395 N396 E401 W402 W518 V519 T520	G394-K537 WeakPolarHBondContact CA-O 3.43Å; T395-K537 PolarHBondContact N-O 3.04Å; T395-K537 WeakPolarHBondContact O-CG 3.02Å; T395-K537 PolarHBondContact O-N 2.86Å; N396-K537 WeakPolarHBondContact O-CE 3.34Å; E401-K537 WeakPolarHBondContact OE1-CD 2.97Å; E401-K537 IonicContact OE1-NZ 3.43Å; E401-K537 PolarHBondContact OE1-NZ 3.06Å; E401-K537 WeakPolarHBondContact OE2-CD 3.31Å; E401-K537 IonicContact OE2-NZ 2.65Å; E401-K537 PolarHBondContact OE2-NZ 2.79Å; W402-K537 HydrophobicContact CZ2-CB 4.02Å; W402-K537 HydrophobicContact CZ2-CD 4.15Å; W518-K537 HydrophobicContact CE3-CB 4.21Å; W518-K537 HydrophobicContact CE3-CG 4.41Å; W518-K537 HydrophobicContact CZ3-CB 4.39Å; W518-K537 HydrophobicContact CZ3-CD 4.24Å; W518-K537 HydrophobicContact CZ3-CG 4.08Å; V519-K537 WeakPolarHBondContact O-CA 3.14Å; T520-K537 HydrophobicContact CG2-CB 3.9Å
538	V	84.8	Confident	85.9	Confident	18 Å²	18	58.3 Å²	58.3	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.3	175.5	66	0	0	0	0	111.2	W518 V519 I540 K571	W518-V538 VanDerWaalsContact CA-O 3.27Å; W518-V538 WeakPolarHBondContact CA-O 3.41Å; V519-V538 HydrophobicContact CB-CG1 4.13Å; V519-V538 PolarHBondContact N-O 3.49Å; V519-V538 PolarHBondContact O-N 3.1Å; V538-I540 HydrophobicContact CG1-CG2 4.19Å; V538-I540 HydrophobicContact CG2-CG2 4.07Å; V538-K571 HydrophobicContact CG2-CB 3.8Å; V538-K571 HydrophobicContact CG2-CD 3.84Å; V538-K571 HydrophobicContact CG2-CG 3.78Å
539	N	85.9	Confident	87.2	Confident	31 Å²	31	51.8 Å²	51.8	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127	170.2	-179.1	29.7	0	0	0	108.7	C517 W518 Y566	C517-N539 CarbonylContact O-C 3.53Å; C517-N539 WeakPolarHBondContact O-CA 3.1Å; C517-N539 PolarHBondContact O-OD1 2.92Å; W518-N539 HydrophobicContact CD2-CB 3.9Å; W518-N539 HydrophobicContact CE3-CB 4.04Å; W518-N539 HydrophobicContact CH2-CB 4.09Å; W518-N539 HydrophobicContact CZ2-CB 3.89Å; W518-N539 HydrophobicContact CZ3-CB 4.12Å; N539-Y566 WeakPolarHBondContact O-CE2 3.44Å
540	I	87	Confident	88.4	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.284	C	S	.	.			trans	-137.1	141.5	179.7	59.7	174.8	0	0	0	111.1	C517 V519 V538 A564 Y566 K571 L582	C517-I540 WeakPolarHBondContact CB-O 3.39Å; C517-I540 PolarHBondContact O-N 2.98Å; C517-I540 VanDerWaalsContact O-O 3.13Å; V519-I540 HydrophobicContact CB-CD1 4.43Å; V519-I540 HydrophobicContact CG2-CD1 3.46Å; V519-I540 VanDerWaalsContact CG2-CD1 3.46Å; V519-I540 HydrophobicContact CG2-CG1 4.12Å; V538-I540 HydrophobicContact CG1-CG2 4.19Å; V538-I540 HydrophobicContact CG2-CG2 4.07Å; I540-A564 HydrophobicContact CD1-CB 3.49Å; I540-A564 VanDerWaalsContact CD1-CB 3.49Å; I540-A564 HydrophobicContact CG1-CB 3.96Å; I540-Y566 HydrophobicContact CG2-CD2 4.49Å; I540-Y566 HydrophobicContact CG2-CE2 4.32Å; I540-K571 HydrophobicContact CG2-CB 4.17Å; I540-L582 HydrophobicContact CD1-CD1 4.14Å; I540-L582 HydrophobicContact CG1-CD1 4.21Å
541	P	89.9	Confident	89	Confident	52 Å²	52	52 Å²	52	34%	0.338	26%	0.261	S	S	.	.			trans	-78.1	149.8	176.3	33.1	-34.6	0	0	0	110.8	A564 G565 Y566	P541-A564 CarbonylContact O-C 3.54Å; P541-A564 WeakPolarHBondContact O-CA 3.47Å; P541-A564 WeakPolarHBondContact O-CB 3.21Å; P541-G565 WeakPolarHBondContact CG-O 3.37Å; P541-G565 PolarHBondContact O-N 3.24Å; P541-Y566 VanDerWaalsContact CD-CE2 3.45Å; P541-Y566 HydrophobicContact CG-CD1 4.23Å; P541-Y566 HydrophobicContact CG-CD2 4.44Å; P541-Y566 HydrophobicContact CG-CE1 4.21Å; P541-Y566 HydrophobicContact CG-CE2 4.45Å; P541-Y566 HydrophobicContact CG-CG 4.35Å
542	L	92.3	Very high	89.4	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.267	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	145	167.1	-61.2	-172.8	0	0	0	110.6	Y514 C517 V562 A564 L582	Y514-L542 HydrophobicContact CD2-CD1 4.25Å; C517-L542 HydrophobicContact CB-CD2 4.43Å; L542-V562 HydrophobicContact CD1-CG2 4.47Å; L542-V562 HydrophobicContact CD2-CG2 4.22Å; L542-A564 HydrophobicContact CD2-CB 3.98Å; L542-L582 HydrophobicContact CD2-CD2 3.86Å
543	V	92.1	Very high	89.5	Confident	28 Å²	28	54.1 Å²	54.1	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.8	174.8	-179.6	0	0	0	0	108	E547 C548 C563 G565 P608	V543-E547 HydrophobicContact CG1-CB 3.87Å; V543-E547 HydrophobicContact CG1-CG 3.92Å; V543-C548 HydrophobicContact CG1-CB 4.37Å; V543-C563 HydrophobicContact CB-CB 4.17Å; V543-C563 PolarHBondContact N-O 3.44Å; V543-G565 WeakPolarHBondContact CG2-O 3.4Å; V543-P608 HydrophobicContact CG2-CB 4.17Å
544	T	91.4	Very high	89.5	Confident	92 Å²	92	58.2 Å²	58.2	56%	0.564	29%	0.291	S	S	*	.			trans	-64.1	146.4	178.8	59.1	0	0	0	0	110.7	E546 E547 C548	T544-E546 PolarHBondContact O-N 3.31Å; T544-E547 PolarHBondContact O-N 3.17Å; T544-E547 WeakPolarHBondContact OG1-CB 3.24Å; T544-E547 PolarHBondContact OG1-N 3.45Å; T544-C548 WeakPolarHBondContact O-CB 3.19Å; T544-C548 PolarHBondContact O-N 3.11Å
545	N	91.5	Very high	89.5	Confident	46 Å²	46	62.2 Å²	62.2	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-31.3	-179.8	-67.1	31.2	0	0	0	111.9	Q549 I557 T558 M561	N545-Q549 WeakPolarHBondContact O-CB 3.27Å; N545-Q549 PolarHBondContact O-N 3.24Å; N545-I557 HydrophobicContact CB-CG2 4.04Å; N545-T558 PolarHBondContact ND2-O 3.01Å; N545-M561 PolarHBondContact ND2-O 3.36Å
546	E	92.5	Very high	89.6	Confident	154 Å²	154	70.1 Å²	70.1	72%	0.72	34%	0.338	S	S	*	.	H	α-helix	trans	-62.9	-45.6	173	-66.5	175.3	-168.4	0	0	112.9	T544 K550	T544-E546 PolarHBondContact O-N 3.31Å; E546-K550 WeakPolarHBondContact O-CG 3.4Å; E546-K550 PolarHBondContact O-N 2.88Å
547	E	91.9	Very high	89.8	Confident	55 Å²	55	68.8 Å²	68.8	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-70.4	-41.1	177.5	-177.3	61.6	-165.7	0	0	110.5	V543 T544 Q549 K550 R551	V543-E547 HydrophobicContact CG1-CB 3.87Å; V543-E547 HydrophobicContact CG1-CG 3.92Å; T544-E547 PolarHBondContact O-N 3.17Å; T544-E547 WeakPolarHBondContact OG1-CB 3.24Å; T544-E547 PolarHBondContact OG1-N 3.45Å; E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.98Å; E547-K550 WeakPolarHBondContact O-CB 3.45Å; E547-K550 PolarHBondContact O-N 3.1Å; E547-K550 VanDerWaalsContact O-N 3.16Å; E547-K550 WeakPolarHBondContact OE2-CD 3.47Å; E547-K550 IonicContact OE2-NZ 3.2Å; E547-K550 PolarHBondContact OE2-NZ 3.17Å; E547-R551 WeakPolarHBondContact O-CG 3.4Å; E547-R551 PolarHBondContact O-N 2.81Å; E547-R551 IonicContact OE1-CZ 3.91Å; E547-R551 VanDerWaalsContact OE1-CZ 3.29Å; E547-R551 IonicContact OE1-NE 2.79Å; E547-R551 PolarHBondContact OE1-NE 2.79Å; E547-R551 VanDerWaalsContact OE1-NE 3.11Å; E547-R551 IonicContact OE1-NH2 3.81Å; E547-R551 PolarHBondContact OE1-NH2 3.16Å
548	C	92.4	Very high	90.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.4	-41.3	175.2	-168.3	0	0	0	0	112.4	V543 T544 K550 R551 Y552 I557 C563	V543-C548 HydrophobicContact CG1-CB 4.37Å; T544-C548 WeakPolarHBondContact O-CB 3.19Å; T544-C548 PolarHBondContact O-N 3.11Å; C548-K550 VanDerWaalsContact C-N 3.29Å; C548-K550 PolarHBondContact O-N 2.59Å; C548-R551 WeakPolarHBondContact O-CB 3.46Å; C548-R551 PolarHBondContact O-N 3.26Å; C548-Y552 PolarHBondContact O-N 3.15Å; C548-I557 HydrophobicContact CB-CG2 4.45Å; C548-C563 HydrophobicContact CB-CB 3.58Å; C548-C563 WeakPolarHBondContact CB-SG 3.42Å; C548-C563 WeakPolarHBondContact SG-CB 3.42Å; C548-C563 CovalentContact SG-SG 2.03Å; C548-C563 PolarHBondContact SG-SG 2.89Å
549	Q	93.7	Very high	90.3	Very high	63 Å²	63	76 Å²	76	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-28.1	177.1	-176.1	61.1	85.7	0	0	113.1	N545 E547 R551 Y552 Y555 I557	N545-Q549 WeakPolarHBondContact O-CB 3.27Å; N545-Q549 PolarHBondContact O-N 3.24Å; E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.98Å; Q549-R551 VanDerWaalsContact C-N 3.3Å; Q549-Y552 PolarHBondContact NE2-O 3.39Å; Q549-Y552 CarbonylContact O-C 3.55Å; Q549-Y555 PolarHBondContact NE2-O 3.42Å; Q549-I557 HydrophobicContact CB-CB 4.28Å; Q549-I557 HydrophobicContact CB-CG1 4.29Å
550	K	92.8	Very high	90.6	Very high	123 Å²	123	79.8 Å²	79.8	54%	0.535	38%	0.379	S	S	.	.	H	α-helix	trans	-71	-26.5	172.3	-63.4	170.9	-152	159.2	0	112.6	E546 E547 C548	E546-K550 WeakPolarHBondContact O-CG 3.4Å; E546-K550 PolarHBondContact O-N 2.88Å; E547-K550 WeakPolarHBondContact O-CB 3.45Å; E547-K550 PolarHBondContact O-N 3.1Å; E547-K550 VanDerWaalsContact O-N 3.16Å; E547-K550 WeakPolarHBondContact OE2-CD 3.47Å; E547-K550 IonicContact OE2-NZ 3.2Å; E547-K550 PolarHBondContact OE2-NZ 3.17Å; C548-K550 VanDerWaalsContact C-N 3.29Å; C548-K550 PolarHBondContact O-N 2.59Å
551	R	89.7	Confident	90.9	Very high	65 Å²	65	80.2 Å²	80.2	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-81.2	-42.8	178.9	-53.2	-48.9	177	160.7	3.3	111.6	E547 C548 Q549 E606	E547-R551 WeakPolarHBondContact O-CG 3.4Å; E547-R551 PolarHBondContact O-N 2.81Å; E547-R551 IonicContact OE1-CZ 3.91Å; E547-R551 VanDerWaalsContact OE1-CZ 3.29Å; E547-R551 IonicContact OE1-NE 2.79Å; E547-R551 PolarHBondContact OE1-NE 2.79Å; E547-R551 VanDerWaalsContact OE1-NE 3.11Å; E547-R551 IonicContact OE1-NH2 3.81Å; E547-R551 PolarHBondContact OE1-NH2 3.16Å; C548-R551 WeakPolarHBondContact O-CB 3.46Å; C548-R551 PolarHBondContact O-N 3.26Å; Q549-R551 VanDerWaalsContact C-N 3.3Å; R551-E606 WeakPolarHBondContact CB-O 3.16Å; R551-E606 VanDerWaalsContact CD-O 3.3Å; R551-E606 WeakPolarHBondContact CD-O 3.41Å; R551-E606 WeakPolarHBondContact CG-O 3.47Å; R551-E606 IonicContact CZ-OE1 2.74Å; R551-E606 IonicContact CZ-OE2 3.81Å; R551-E606 IonicContact NH1-OE1 2.75Å; R551-E606 PolarHBondContact NH1-OE1 3.42Å; R551-E606 IonicContact NH1-OE2 2.6Å; R551-E606 PolarHBondContact NH1-OE2 2.95Å; R551-E606 IonicContact NH2-OE1 3.66Å; R551-E606 PolarHBondContact NH2-OE1 2.91Å
552	Y	89.4	Confident	91.1	Very high	4 Å²	4	78.3 Å²	78.3	2%	0.016	37%	0.369	C	S	.	.			trans	-99.9	84.5	176.5	-65.7	-63.6	0	0	0	110.9	C548 Q549 I557 W598 E600 P608 V610	C548-Y552 PolarHBondContact O-N 3.15Å; Q549-Y552 PolarHBondContact NE2-O 3.39Å; Q549-Y552 CarbonylContact O-C 3.55Å; Y552-I557 HydrophobicContact CD2-CD1 4.04Å; Y552-W598 HydrophobicContact CD1-CH2 4.49Å; Y552-W598 HydrophobicContact CD1-CZ3 4.04Å; Y552-W598 HydrophobicContact CD2-CH2 4.25Å; Y552-W598 HydrophobicContact CD2-CZ3 4.26Å; Y552-W598 HydrophobicContact CE1-CZ3 4.04Å; Y552-W598 HydrophobicContact CE2-CZ3 4.22Å; Y552-W598 HydrophobicContact CG-CH2 4.19Å; Y552-W598 HydrophobicContact CG-CZ3 4.16Å; Y552-E600 HydrophobicContact CE1-CB 3.79Å; Y552-E600 PolarHBondContact OH-N 2.82Å; Y552-P608 HydrophobicContact CE2-CG 4.26Å; Y552-P608 VanDerWaalsContact CE2-O 3.23Å; Y552-P608 WeakPolarHBondContact CE2-O 3.46Å; Y552-P608 PolarHBondContact OH-O 3.02Å; Y552-V610 HydrophobicContact CD2-CG2 4.16Å; Y552-V610 HydrophobicContact CE2-CG2 3.68Å
553	Q	88.1	Confident	91.1	Very high	161 Å²	161	75.9 Å²	75.9	75%	0.752	36%	0.356	S	S	*	.	S	Bend	trans	-73.6	-34.4	-178.5	-61.6	-173.4	4	0	0	112.4	Y555	Q553-Y555 VanDerWaalsContact C-N 3.33Å; Q553-Y555 PolarHBondContact O-N 2.88Å
554	D	87.3	Confident	91.1	Very high	155 Å²	155	74.6 Å²	74.6	83%	0.829	35%	0.348	S	S	*	.	S	Bend	trans	-81.1	-9.5	-179.1	-54.2	-60.2	0	0	0	114
555	Y	85.7	Confident	91	Very high	133 Å²	133	70.5 Å²	70.5	52%	0.522	32%	0.324	S	S	.	.	S	Bend	trans	-122.7	142.9	-177.3	-63.5	-93.4	0	0	0	111.8	Q549 Q553 I557 W598	Q549-Y555 PolarHBondContact NE2-O 3.42Å; Q553-Y555 VanDerWaalsContact C-N 3.33Å; Q553-Y555 PolarHBondContact O-N 2.88Å; Y555-I557 PolarHBondContact O-N 3.46Å; Y555-W598 HydrophobicContact CD1-CH2 4.41Å; Y555-W598 HydrophobicContact CG-CH2 4.05Å; Y555-W598 HydrophobicContact CG-CZ3 4.42Å
556	K	89.9	Confident	90.5	Very high	172 Å²	172	71.9 Å²	71.9	75%	0.748	33%	0.327	S	S	*	.			trans	-90.1	103.8	178.7	-173.1	173.9	-178.2	173.6	0	111.4	T558	K556-T558 PolarHBondContact O-N 3.47Å
557	I	91.9	Very high	90.2	Very high	16 Å²	16	70.3 Å²	70.3	8%	0.082	32%	0.317	C	S	.	.			trans	-73.4	107.7	173.5	-54.6	-56.7	0	0	0	109	N545 C548 Q549 Y552 Y555 M561 W598 V610	N545-I557 HydrophobicContact CB-CG2 4.04Å; C548-I557 HydrophobicContact CB-CG2 4.45Å; Q549-I557 HydrophobicContact CB-CB 4.28Å; Q549-I557 HydrophobicContact CB-CG1 4.29Å; Y552-I557 HydrophobicContact CD2-CD1 4.04Å; Y555-I557 PolarHBondContact O-N 3.46Å; I557-M561 HydrophobicContact CG2-CB 4.38Å; I557-W598 HydrophobicContact CD1-CH2 3.72Å; I557-W598 HydrophobicContact CD1-CZ2 3.89Å; I557-V610 HydrophobicContact CD1-CG1 4.47Å; I557-V610 HydrophobicContact CD1-CG2 4.22Å
558	T	91.3	Very high	89.7	Confident	33 Å²	33	74.1 Å²	74.1	20%	0.202	34%	0.335	C	S	.	.			trans	-86.4	166.2	-177.4	74.6	0	0	0	0	112.2	N545 K556 R560 M561	N545-T558 PolarHBondContact ND2-O 3.01Å; K556-T558 PolarHBondContact O-N 3.47Å; T558-R560 PolarHBondContact O-N 2.83Å; T558-R560 PolarHBondContact OG1-N 3.4Å; T558-M561 HydrophobicContact CG2-SD 4.24Å; T558-M561 PolarHBondContact N-SD 3.17Å; T558-M561 VanDerWaalsContact N-SD 3.38Å; T558-M561 PolarHBondContact O-N 3.35Å; T558-M561 VanDerWaalsContact O-N 3.09Å
559	Q	90.3	Very high	89.2	Confident	162 Å²	162	74.6 Å²	74.6	76%	0.757	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.6	171.1	-69.6	179.8	-16	0	0	113.5	M561 K613	Q559-M561 VanDerWaalsContact C-N 3.27Å; Q559-K613 WeakPolarHBondContact O-CD 3.24Å
560	R	91.6	Very high	88.3	Confident	110 Å²	110	74.7 Å²	74.7	42%	0.415	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1	175.4	-62.5	-177.5	178.8	137.1	3.6	113.5	H482 T558 K613 E616 Y617	H482-R560 PolarHBondContact CE1-NH1 2.89Å; H482-R560 PolarHBondContact NE2-NH1 2.99Å; T558-R560 PolarHBondContact O-N 2.83Å; T558-R560 PolarHBondContact OG1-N 3.4Å; R560-K613 WeakPolarHBondContact O-CB 3.24Å; R560-K613 PolarHBondContact O-N 3.1Å; R560-E616 HydrophobicContact CG-CB 4.2Å; R560-Y617 HydrophobicContact CB-CE2 3.94Å; R560-Y617 WeakPolarHBondContact CB-OH 3.5Å; R560-Y617 WeakPolarHBondContact CD-OH 3.4Å; R560-Y617 HydrophobicContact CG-CE2 4.45Å
561	M	93.8	Very high	87.5	Confident	9 Å²	9	72.3 Å²	72.3	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.9	175	-66.4	154.4	174.4	0	0	109.8	G480 N481 N545 I557 T558 Q559 V610 Y611	G480-M561 VanDerWaalsContact O-CE 3.31Å; G480-M561 WeakPolarHBondContact O-CE 3.45Å; N481-M561 HydrophobicContact CB-CE 4.26Å; N545-M561 PolarHBondContact ND2-O 3.36Å; I557-M561 HydrophobicContact CG2-CB 4.38Å; T558-M561 HydrophobicContact CG2-SD 4.24Å; T558-M561 PolarHBondContact N-SD 3.17Å; T558-M561 VanDerWaalsContact N-SD 3.38Å; T558-M561 PolarHBondContact O-N 3.35Å; T558-M561 VanDerWaalsContact O-N 3.09Å; Q559-M561 VanDerWaalsContact C-N 3.27Å; M561-V610 HydrophobicContact CB-CG1 4.02Å; M561-V610 HydrophobicContact CG-CG1 4.11Å; M561-V610 HydrophobicContact SD-CG1 4.38Å; M561-Y611 CarbonylContact C-O 3.52Å; M561-Y611 WeakPolarHBondContact CA-O 3Å
562	V	93.3	Very high	86.5	Confident	13 Å²	13	70.5 Å²	70.5	8%	0.079	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.3	168.8	61.6	0	0	0	0	107.6	L542 L582 Y611 K613	L542-V562 HydrophobicContact CD1-CG2 4.47Å; L542-V562 HydrophobicContact CD2-CG2 4.22Å; V562-L582 HydrophobicContact CG1-CD2 4.25Å; V562-Y611 PolarHBondContact N-O 3.23Å; V562-Y611 WeakPolarHBondContact O-CB 3.32Å; V562-Y611 PolarHBondContact O-N 2.66Å; V562-K613 HydrophobicContact CB-CB 4.14Å; V562-K613 HydrophobicContact CB-CG 4.25Å; V562-K613 HydrophobicContact CG1-CB 4.1Å; V562-K613 HydrophobicContact CG1-CG 4.4Å
563	C	93.3	Very high	85.8	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.8	-178.8	-53.7	0	0	0	0	110.8	V543 C548 P608 G609	V543-C563 HydrophobicContact CB-CB 4.17Å; V543-C563 PolarHBondContact N-O 3.44Å; C548-C563 HydrophobicContact CB-CB 3.58Å; C548-C563 WeakPolarHBondContact CB-SG 3.42Å; C548-C563 WeakPolarHBondContact SG-CB 3.42Å; C548-C563 CovalentContact SG-SG 2.03Å; C548-C563 PolarHBondContact SG-SG 2.89Å; C563-P608 HydrophobicContact CB-CB 4.38Å; C563-P608 HydrophobicContact CB-CG 4.28Å; C563-G609 VanDerWaalsContact CA-O 3.29Å; C563-G609 WeakPolarHBondContact CA-O 3.36Å
564	A	91.2	Very high	85.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.1	176.9	0	0	0	0	0	111	I540 P541 L542 L582 G609 Y611	I540-A564 HydrophobicContact CD1-CB 3.49Å; I540-A564 VanDerWaalsContact CD1-CB 3.49Å; I540-A564 HydrophobicContact CG1-CB 3.96Å; P541-A564 CarbonylContact O-C 3.54Å; P541-A564 WeakPolarHBondContact O-CA 3.47Å; P541-A564 WeakPolarHBondContact O-CB 3.21Å; L542-A564 HydrophobicContact CD2-CB 3.98Å; A564-L582 HydrophobicContact CB-CD1 4.3Å; A564-L582 HydrophobicContact CB-CD2 4.19Å; A564-G609 PolarHBondContact N-O 2.77Å; A564-G609 PolarHBondContact O-N 3.37Å; A564-Y611 HydrophobicContact CB-CD2 4.27Å; A564-Y611 HydrophobicContact CB-CE2 3.82Å
565	G	88.6	Confident	84.1	Confident	6 Å²	6	63 Å²	63	6%	0.062	30%	0.304	C	S	.	.			trans	155	158.8	-176.7	0	0	0	0	0	113.3	P541 V543	P541-G565 WeakPolarHBondContact CG-O 3.37Å; P541-G565 PolarHBondContact O-N 3.24Å; V543-G565 WeakPolarHBondContact CG2-O 3.4Å
566	Y	82.9	Confident	83.1	Confident	76 Å²	76	57.2 Å²	57.2	30%	0.298	28%	0.284	S	S	.	.			trans	-85.1	145.4	175.3	-74.1	-90.5	0	0	0	111	N539 I540 P541 E568 G569 K571	N539-Y566 WeakPolarHBondContact O-CE2 3.44Å; I540-Y566 HydrophobicContact CG2-CD2 4.49Å; I540-Y566 HydrophobicContact CG2-CE2 4.32Å; P541-Y566 VanDerWaalsContact CD-CE2 3.45Å; P541-Y566 HydrophobicContact CG-CD1 4.23Å; P541-Y566 HydrophobicContact CG-CD2 4.44Å; P541-Y566 HydrophobicContact CG-CE1 4.21Å; P541-Y566 HydrophobicContact CG-CE2 4.45Å; P541-Y566 HydrophobicContact CG-CG 4.35Å; Y566-E568 PolarHBondContact O-N 2.72Å; Y566-G569 PolarHBondContact O-N 2.71Å; Y566-K571 HydrophobicContact CD2-CB 3.99Å; Y566-K571 HydrophobicContact CD2-CD 3.91Å; Y566-K571 HydrophobicContact CE2-CB 4.32Å; Y566-K571 HydrophobicContact CE2-CD 3.57Å
567	K	84.3	Confident	82.6	Confident	121 Å²	121	49.7 Å²	49.7	53%	0.526	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.4	176.6	-176.1	179.2	-179.8	179.9	0	111.4	G569 R605 E606	K567-G569 PolarHBondContact O-N 2.8Å; K567-R605 WeakPolarHBondContact O-CG 3.44Å; K567-E606 WeakPolarHBondContact CE-OE1 3.47Å; K567-E606 HydrophobicContact CG-CG 4.22Å; K567-E606 IonicContact NZ-OE1 3.76Å; K567-E606 PolarHBondContact O-N 2.84Å
568	E	83.3	Confident	82.4	Confident	134 Å²	134	50 Å²	50	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.7	178.4	-56.3	68.2	-143.5	0	0	112.6	Y566	Y566-E568 PolarHBondContact O-N 2.72Å
569	G	80.7	Confident	82.3	Confident	10 Å²	10	48.5 Å²	48.5	10%	0.103	25%	0.246	C	C	.	.			trans	74.8	-149.8	-168.6	0	0	0	0	0	112.3	Y566 K567 K571 R604	Y566-G569 PolarHBondContact O-N 2.71Å; K567-G569 PolarHBondContact O-N 2.8Å; G569-K571 PolarHBondContact O-N 3.42Å; G569-K571 VanDerWaalsContact O-N 3.15Å; G569-R604 WeakPolarHBondContact CA-O 3.5Å
570	G	74.7	Confident	82.4	Confident	66 Å²	66	40.8 Å²	40.8	68%	0.68	21%	0.21	S	C	*	.	S	Bend	trans	76.5	-10	173.6	0	0	0	0	0	116.5	A603	G570-A603 PolarHBondContact N-O 3Å
571	K	75.7	Confident	82.6	Confident	73 Å²	73	35.5 Å²	35.5	32%	0.317	19%	0.191	S	C	.	.			trans	-145.3	121.3	175.9	-71.9	174.6	-176.9	168.5	0	110.7	V538 I540 Y566 G569	V538-K571 HydrophobicContact CG2-CB 3.8Å; V538-K571 HydrophobicContact CG2-CD 3.84Å; V538-K571 HydrophobicContact CG2-CG 3.78Å; I540-K571 HydrophobicContact CG2-CB 4.17Å; Y566-K571 HydrophobicContact CD2-CB 3.99Å; Y566-K571 HydrophobicContact CD2-CD 3.91Å; Y566-K571 HydrophobicContact CE2-CB 4.32Å; Y566-K571 HydrophobicContact CE2-CD 3.57Å; G569-K571 PolarHBondContact O-N 3.42Å; G569-K571 VanDerWaalsContact O-N 3.15Å
572	D	70.1	Confident	82.6	Confident	26 Å²	26	35.1 Å²	35.1	14%	0.139	19%	0.189	C	C	.	.			trans	-164.9	173.4	-177	-159.7	3.6	0	0	0	110.6	A603 G609	D572-A603 HydrophobicContact CB-CB 3.71Å; D572-A603 VanDerWaalsContact CB-N 3.3Å; D572-A603 PolarHBondContact OD2-N 2.99Å; D572-A603 VanDerWaalsContact OD2-N 3.1Å; D572-G609 WeakPolarHBondContact OD1-CA 3.14Å; D572-G609 PolarHBondContact OD1-N 3.3Å
573	A	74.3	Confident	82.6	Confident	9 Å²	9	34.5 Å²	34.5	7%	0.074	19%	0.185	C	C	.	.			trans	-76.2	159.1	160.7	0	0	0	0	0	110.6	V519 D577 T596	V519-A573 HydrophobicContact CG1-CB 4.09Å; A573-D577 HydrophobicContact CB-CB 4.12Å; A573-T596 HydrophobicContact CB-CG2 3.62Å
574	C	74.3	Confident	82.4	Confident	13 Å²	13	34.5 Å²	34.5	9%	0.088	19%	0.185	C	C	.	.			trans	-144.3	-173.5	174.4	-159.9	0	0	0	0	112.9	F524 G576 D577 C602	F524-C574 HydrophobicContact CB-CB 4.3Å; F524-C574 WeakPolarHBondContact O-CB 3.26Å; C574-G576 PolarHBondContact O-N 3.11Å; C574-D577 PolarHBondContact N-OD2 3.43Å; C574-D577 WeakPolarHBondContact O-CB 3.39Å; C574-D577 PolarHBondContact O-N 2.96Å; C574-C602 WeakPolarHBondContact CA-SG 3.42Å; C574-C602 HydrophobicContact CB-CB 3.67Å; C574-C602 WeakPolarHBondContact CB-SG 3.41Å; C574-C602 WeakPolarHBondContact SG-CB 3.31Å; C574-C602 CovalentContact SG-SG 2.03Å; C574-C602 PolarHBondContact SG-SG 2.03Å
575	K	64.4	Low	81.8	Confident	142 Å²	142	36.6 Å²	36.6	62%	0.617	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	122.5	179.3	-69.7	-174.7	175.6	-177.8	0	110.9	G523 F524	G523-K575 CarbonylContact C-O 3.32Å; G523-K575 WeakPolarHBondContact CA-O 3.39Å; F524-K575 HydrophobicContact CD1-CB 4.41Å; F524-K575 WeakPolarHBondContact CD1-O 3.4Å; F524-K575 HydrophobicContact CD2-CB 3.92Å; F524-K575 HydrophobicContact CD2-CD 4.42Å; F524-K575 HydrophobicContact CE1-CB 4.43Å; F524-K575 HydrophobicContact CE2-CB 3.96Å; F524-K575 HydrophobicContact CE2-CD 3.99Å; F524-K575 HydrophobicContact CG-CB 4.17Å; F524-K575 HydrophobicContact CZ-CB 4.23Å; F524-K575 PolarHBondContact N-O 2.9Å
576	G	65.8	Low	81	Confident	11 Å²	11	39 Å²	39	11%	0.113	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-13.4	-174.4	0	0	0	0	0	114.7	H417 C574	H417-G576 PolarHBondContact NE2-O 3.13Å; C574-G576 PolarHBondContact O-N 3.11Å
577	D	79.3	Confident	80	Confident	14 Å²	14	41.3 Å²	41.3	8%	0.075	22%	0.221	C	C	.	.			trans	-90.3	-7.7	169.8	-57.8	-45.2	0	0	0	112.9	G521 W522 G523 A573 C574 G579 G580 T596	G521-D577 WeakPolarHBondContact CA-OD1 3.32Å; W522-D577 PolarHBondContact N-OD1 2.76Å; G523-D577 VanDerWaalsContact CA-OD1 3.31Å; G523-D577 WeakPolarHBondContact CA-OD1 3.35Å; G523-D577 PolarHBondContact N-OD1 3.07Å; A573-D577 HydrophobicContact CB-CB 4.12Å; C574-D577 PolarHBondContact N-OD2 3.43Å; C574-D577 WeakPolarHBondContact O-CB 3.39Å; C574-D577 PolarHBondContact O-N 2.96Å; D577-G579 PolarHBondContact O-N 3.15Å; D577-G580 WeakPolarHBondContact O-CA 3.12Å; D577-G580 PolarHBondContact O-N 2.69Å; D577-T596 HydrophobicContact CB-CG2 4.33Å; D577-T596 WeakPolarHBondContact O-CB 3.29Å; D577-T596 PolarHBondContact O-OG1 3.08Å
578	S	86.7	Confident	78.4	Confident	23 Å²	23	37.9 Å²	37.9	16%	0.161	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	131.2	171.7	-73.8	0	0	0	0	112.1	C419 G420 H434 G580	C419-S578 CarbonylContact C-O 3.44Å; C419-S578 WeakPolarHBondContact CA-O 2.92Å; C419-S578 WeakPolarHBondContact CB-O 3.1Å; C419-S578 VanDerWaalsContact SG-CB 3.52Å; G420-S578 PolarHBondContact N-O 3.23Å; H434-S578 WeakPolarHBondContact NE2-CB 3.49Å; H434-S578 PolarHBondContact NE2-OG 3.06Å; S578-G580 PolarHBondContact O-N 3.27Å
579	G	91	Very high	77.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-7	-176.5	0	0	0	0	0	115.8	G420 G421 T431 D577 T596	G420-G579 CarbonylContact C-O 3.31Å; G420-G579 CarbonylContact O-C 3.38Å; G420-G579 VanDerWaalsContact O-C 3.31Å; G421-G579 WeakPolarHBondContact CA-O 3.21Å; T431-G579 VanDerWaalsContact OG1-CA 3.3Å; T431-G579 WeakPolarHBondContact OG1-CA 3.01Å; D577-G579 PolarHBondContact O-N 3.15Å; G579-T596 PolarHBondContact N-O 3.34Å
580	G	91.9	Very high	77.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.			trans	-68.7	166.4	174.8	0	0	0	0	0	113.9	D577 S578 I595 T596	D577-G580 WeakPolarHBondContact O-CA 3.12Å; D577-G580 PolarHBondContact O-N 2.69Å; S578-G580 PolarHBondContact O-N 3.27Å; G580-I595 WeakPolarHBondContact O-CA 3.39Å; G580-T596 PolarHBondContact O-N 3.3Å; G580-T596 PolarHBondContact O-OG1 2.8Å
581	P	95.1	Very high	77.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.9	-177.4	30.5	-34.2	0	0	0	113.4	Q405 S422 V519 T520 A583 L592	Q405-P581 VanDerWaalsContact OE1-CG 3.23Å; S422-P581 WeakPolarHBondContact OG-CB 3.4Å; V519-P581 WeakPolarHBondContact CA-O 3.15Å; T520-P581 WeakPolarHBondContact OG1-CG 3.39Å; P581-A583 HydrophobicContact CB-CB 4.35Å; P581-L592 HydrophobicContact CB-CD1 3.43Å; P581-L592 VanDerWaalsContact CB-CD1 3.43Å
582	L	95.1	Very high	78.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	92.5	148.5	176	64.5	0	0	0	107.7	C517 W518 V519 I540 L542 V562 A564 V593 G594 Y611	C517-L582 HydrophobicContact CB-CD1 4.09Å; W518-L582 CarbonylContact O-C 3.49Å; V519-L582 HydrophobicContact CG2-CB 4.36Å; V519-L582 HydrophobicContact CG2-CD1 3.61Å; I540-L582 HydrophobicContact CD1-CD1 4.14Å; I540-L582 HydrophobicContact CG1-CD1 4.21Å; L542-L582 HydrophobicContact CD2-CD2 3.86Å; V562-L582 HydrophobicContact CG1-CD2 4.25Å; A564-L582 HydrophobicContact CB-CD1 4.3Å; A564-L582 HydrophobicContact CB-CD2 4.19Å; L582-V593 PolarHBondContact O-N 3.47Å; L582-G594 PolarHBondContact N-O 3.26Å; L582-G594 PolarHBondContact O-N 3.26Å; L582-Y611 HydrophobicContact CB-CD1 3.68Å; L582-Y611 HydrophobicContact CB-CE1 4.01Å; L582-Y611 HydrophobicContact CB-CG 4.28Å; L582-Y611 HydrophobicContact CD2-CD1 4.01Å; L582-Y611 HydrophobicContact CD2-CD2 3.97Å; L582-Y611 HydrophobicContact CD2-CE1 4.46Å; L582-Y611 HydrophobicContact CD2-CE2 4.44Å; L582-Y611 HydrophobicContact CD2-CG 3.78Å; L582-Y611 HydrophobicContact CG-CD1 4.39Å
583	A	92.3	Very high	79.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.2	-175.6	0	0	0	0	0	111.2	W404 I502 W518 P581 W590 R591	W404-A583 HydrophobicContact CZ2-CB 3.69Å; I502-A583 HydrophobicContact CD1-CB 3.59Å; W518-A583 PolarHBondContact N-O 3.13Å; W518-A583 PolarHBondContact O-N 3.03Å; P581-A583 HydrophobicContact CB-CB 4.35Å; A583-W590 HydrophobicContact CB-CE3 4.17Å; A583-R591 CarbonylContact C-O 3.51Å; A583-R591 WeakPolarHBondContact CA-O 3.44Å
584	C	89.2	Confident	80.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.5	178.5	-56.2	0	0	0	0	112	Y514 N516 C517 R591 V593	Y514-C584 HydrophobicContact CD1-CB 3.42Å; Y514-C584 VanDerWaalsContact CD1-CB 3.42Å; Y514-C584 HydrophobicContact CE1-CB 4.15Å; Y514-C584 HydrophobicContact CG-CB 3.78Å; N516-C584 CarbonylContact O-C 3.6Å; N516-C584 VanDerWaalsContact O-CA 3.31Å; N516-C584 WeakPolarHBondContact O-CA 3.4Å; C517-C584 HydrophobicContact CB-CB 4.1Å; C517-C584 WeakPolarHBondContact CB-SG 3.13Å; C517-C584 WeakPolarHBondContact SG-CB 3.32Å; C517-C584 CovalentContact SG-SG 2.04Å; C517-C584 PolarHBondContact SG-SG 2.86Å; C584-R591 PolarHBondContact N-O 3.06Å; C584-R591 PolarHBondContact O-N 2.87Å; C584-V593 HydrophobicContact CB-CB 4.42Å; C584-V593 HydrophobicContact CB-CG2 3.64Å; C584-V593 VanDerWaalsContact SG-CG2 3.55Å
585	K	78.3	Confident	81.8	Confident	44 Å²	44	28 Å²	28	19%	0.191	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113	176.2	-159.3	173.2	-162.8	160	0	110.4	N516 G588 M589 W590	N516-K585 PolarHBondContact O-N 3.09Å; K585-G588 WeakPolarHBondContact CE-O 3.36Å; K585-M589 CarbonylContact C-O 3.6Å; K585-M589 WeakPolarHBondContact CA-O 3.45Å; K585-W590 HydrophobicContact CB-CD2 3.92Å; K585-W590 HydrophobicContact CB-CE3 3.71Å; K585-W590 HydrophobicContact CB-CH2 3.94Å; K585-W590 HydrophobicContact CB-CZ2 4.17Å; K585-W590 HydrophobicContact CB-CZ3 3.72Å; K585-W590 HydrophobicContact CD-CD2 4.26Å; K585-W590 HydrophobicContact CD-CH2 4.27Å; K585-W590 HydrophobicContact CD-CZ2 3.73Å; K585-W590 HydrophobicContact CG-CD2 4.04Å; K585-W590 HydrophobicContact CG-CE3 4.36Å; K585-W590 HydrophobicContact CG-CG 4.49Å; K585-W590 HydrophobicContact CG-CZ2 4.31Å
586	H	72.9	Confident	83.1	Confident	56 Å²	56	21.7 Å²	21.7	26%	0.259	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.1	177.3	-176.3	-125	0	0	0	109.8	Y514 G588 M589	Y514-H586 HydrophobicContact CD1-CB 3.85Å; Y514-H586 HydrophobicContact CE1-CB 3.77Å; H586-G588 PolarHBondContact O-N 3.31Å; H586-G588 VanDerWaalsContact O-N 3.13Å; H586-M589 PolarHBondContact N-O 2.78Å; H586-M589 PolarHBondContact O-N 2.98Å
587	N	60.2	Low	84.2	Confident	126 Å²	126	21.6 Å²	21.6	67%	0.674	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.9	-175.8	-63.2	-27.4	0	0	0	114.4	M589	N587-M589 VanDerWaalsContact C-N 3.28Å; N587-M589 PolarHBondContact O-N 3.02Å
588	G	52	Low	84.5	Confident	49 Å²	49	23.9 Å²	23.9	51%	0.505	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-5.3	-179.5	0	0	0	0	0	115.6	K585 H586	K585-G588 WeakPolarHBondContact CE-O 3.36Å; H586-G588 PolarHBondContact O-N 3.31Å; H586-G588 VanDerWaalsContact O-N 3.13Å
589	M	63.4	Low	84.3	Confident	47 Å²	47	24.3 Å²	24.3	23%	0.232	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.2	-177.8	-177.4	-169.2	-62.8	0	0	110.8	C503 K585 H586 N587 R591	C503-M589 HydrophobicContact CB-SD 4.47Å; K585-M589 CarbonylContact C-O 3.6Å; K585-M589 WeakPolarHBondContact CA-O 3.45Å; H586-M589 PolarHBondContact N-O 2.78Å; H586-M589 PolarHBondContact O-N 2.98Å; N587-M589 VanDerWaalsContact C-N 3.28Å; N587-M589 PolarHBondContact O-N 3.02Å; M589-R591 HydrophobicContact SD-CG 4.49Å; M589-R591 PolarHBondContact SD-NE 2.91Å; M589-R591 PolarHBondContact SD-NH2 3.48Å; M589-R591 VanDerWaalsContact SD-NH2 3.4Å
590	W	77.4	Confident	83.7	Confident	26 Å²	26	28.4 Å²	28.4	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.2	174.6	-69.7	106.2	0	0	0	111.1	T387 W402 W404 I502 C503 W518 A583 K585	T387-W590 VanDerWaalsContact OG1-CD1 3.27Å; T387-W590 PolarHBondContact OG1-NE1 2.89Å; W402-W590 AromaticContact CH2-CH2 3.46Å; W402-W590 HydrophobicContact CH2-CH2 3.46Å; W402-W590 VanDerWaalsContact CH2-CH2 3.46Å; W402-W590 AromaticContact CH2-CZ2 3.91Å; W402-W590 HydrophobicContact CH2-CZ2 3.91Å; W402-W590 AromaticContact CH2-CZ3 3.98Å; W402-W590 HydrophobicContact CH2-CZ3 3.98Å; W402-W590 HydrophobicContact CZ3-CD2 4.39Å; W402-W590 HydrophobicContact CZ3-CE3 4.16Å; W402-W590 AromaticContact CZ3-CH2 3.48Å; W402-W590 HydrophobicContact CZ3-CH2 3.48Å; W402-W590 VanDerWaalsContact CZ3-CH2 3.48Å; W402-W590 AromaticContact CZ3-CZ2 3.71Å; W402-W590 HydrophobicContact CZ3-CZ2 3.71Å; W402-W590 AromaticContact CZ3-CZ3 3.71Å; W402-W590 HydrophobicContact CZ3-CZ3 3.71Å; W404-W590 HydrophobicContact CH2-CB 3.68Å; W404-W590 AromaticContact CH2-CD1 3.76Å; W404-W590 AromaticContact CH2-CD2 3.76Å; W404-W590 HydrophobicContact CH2-CD2 3.76Å; W404-W590 HydrophobicContact CH2-CE3 4.29Å; W404-W590 AromaticContact CH2-CG 3.48Å; W404-W590 HydrophobicContact CH2-CG 3.48Å; W404-W590 VanDerWaalsContact CH2-CG 3.48Å; W404-W590 HydrophobicContact CZ2-CB 4.4Å; W404-W590 HydrophobicContact CZ2-CD2 4.39Å; W404-W590 HydrophobicContact CZ2-CE3 4.48Å; W404-W590 HydrophobicContact CZ2-CG 4.38Å; W404-W590 HydrophobicContact CZ3-CB 4.04Å; W404-W590 HydrophobicContact CZ3-CG 4.06Å; I502-W590 HydrophobicContact CD1-CB 4.38Å; I502-W590 HydrophobicContact CG1-CB 4.37Å; C503-W590 WeakPolarHBondContact CB-O 3.5Å; C503-W590 PolarHBondContact N-O 3.06Å; W518-W590 HydrophobicContact CB-CZ3 4.43Å; W518-W590 AromaticContact CD1-CH2 3.57Å; W518-W590 AromaticContact CD1-CZ3 3.64Å; W518-W590 HydrophobicContact CG-CH2 4.13Å; W518-W590 HydrophobicContact CG-CZ3 4.22Å; W518-W590 AromaticContact NE1-CH2 3.91Å; A583-W590 HydrophobicContact CB-CE3 4.17Å; K585-W590 HydrophobicContact CB-CD2 3.92Å; K585-W590 HydrophobicContact CB-CE3 3.71Å; K585-W590 HydrophobicContact CB-CH2 3.94Å; K585-W590 HydrophobicContact CB-CZ2 4.17Å; K585-W590 HydrophobicContact CB-CZ3 3.72Å; K585-W590 HydrophobicContact CD-CD2 4.26Å; K585-W590 HydrophobicContact CD-CH2 4.27Å; K585-W590 HydrophobicContact CD-CZ2 3.73Å; K585-W590 HydrophobicContact CG-CD2 4.04Å; K585-W590 HydrophobicContact CG-CE3 4.36Å; K585-W590 HydrophobicContact CG-CG 4.49Å; K585-W590 HydrophobicContact CG-CZ2 4.31Å
591	R	86.6	Confident	82.8	Confident	38 Å²	38	29.6 Å²	29.6	14%	0.143	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.6	177.9	-63.8	-175.7	179.3	-172.3	-0.4	111.3	C503 D509 A583 C584 M589 V593	C503-R591 HydrophobicContact CB-CG 4.14Å; C503-R591 CarbonylContact O-C 3.55Å; C503-R591 VanDerWaalsContact O-CA 3.25Å; C503-R591 WeakPolarHBondContact O-CA 3.46Å; D509-R591 VanDerWaalsContact CG-NH1 3.28Å; D509-R591 IonicContact OD1-NH1 3.73Å; D509-R591 PolarHBondContact OD1-NH1 3.25Å; D509-R591 IonicContact OD2-CZ 2.69Å; D509-R591 IonicContact OD2-NH1 3.39Å; D509-R591 PolarHBondContact OD2-NH1 3.21Å; A583-R591 CarbonylContact C-O 3.51Å; A583-R591 WeakPolarHBondContact CA-O 3.44Å; C584-R591 PolarHBondContact N-O 3.06Å; C584-R591 PolarHBondContact O-N 2.87Å; M589-R591 HydrophobicContact SD-CG 4.49Å; M589-R591 PolarHBondContact SD-NE 2.91Å; M589-R591 PolarHBondContact SD-NH2 3.48Å; M589-R591 VanDerWaalsContact SD-NH2 3.4Å; R591-V593 HydrophobicContact CB-CG2 4.45Å; R591-V593 PolarHBondContact O-N 2.95Å; R591-V593 VanDerWaalsContact O-N 3.11Å
592	L	92.8	Very high	81.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	86	176.6	-173.3	62.7	0	0	0	109.7	S422 I424 L430 I502 C503 L504 P505 P581 G594 V614	S422-L592 WeakPolarHBondContact OG-CD1 3.14Å; I424-L592 HydrophobicContact CG2-CD2 4.18Å; L430-L592 HydrophobicContact CB-CD2 4.42Å; L430-L592 HydrophobicContact CD2-CD2 3.76Å; I502-L592 HydrophobicContact CD1-CB 3.94Å; I502-L592 HydrophobicContact CD1-CD1 4.44Å; I502-L592 HydrophobicContact CG1-CB 4.18Å; I502-L592 HydrophobicContact CG2-CB 3.82Å; I502-L592 HydrophobicContact CG2-CD1 4.45Å; I502-L592 HydrophobicContact CG2-CD2 4.12Å; I502-L592 HydrophobicContact CG2-CG 4.36Å; C503-L592 PolarHBondContact O-N 3.37Å; L504-L592 HydrophobicContact CD2-CD2 4.24Å; P505-L592 WeakPolarHBondContact CD-O 3.21Å; P505-L592 WeakPolarHBondContact CG-O 3.2Å; P581-L592 HydrophobicContact CB-CD1 3.43Å; P581-L592 VanDerWaalsContact CB-CD1 3.43Å; L592-G594 WeakPolarHBondContact CD1-O 3.37Å; L592-V614 HydrophobicContact CG-CG2 4.2Å; L592-V614 WeakPolarHBondContact O-CB 3.5Å
593	V	92.8	Very high	80.6	Confident	11 Å²	11	32 Å²	32	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-35.4	-174.2	173.7	0	0	0	0	111.5	Y514 L582 C584 R591 V614	Y514-V593 HydrophobicContact CD1-CG2 4.03Å; Y514-V593 HydrophobicContact CD2-CG1 4.24Å; Y514-V593 HydrophobicContact CD2-CG2 3.91Å; Y514-V593 HydrophobicContact CE1-CG2 3.78Å; Y514-V593 HydrophobicContact CE2-CG1 4.27Å; Y514-V593 HydrophobicContact CE2-CG2 3.66Å; Y514-V593 HydrophobicContact CG-CG2 4.09Å; L582-V593 PolarHBondContact O-N 3.47Å; C584-V593 HydrophobicContact CB-CB 4.42Å; C584-V593 HydrophobicContact CB-CG2 3.64Å; C584-V593 VanDerWaalsContact SG-CG2 3.55Å; R591-V593 HydrophobicContact CB-CG2 4.45Å; R591-V593 PolarHBondContact O-N 2.95Å; R591-V593 VanDerWaalsContact O-N 3.11Å; V593-V614 PolarHBondContact O-N 3.18Å; V593-V614 VanDerWaalsContact O-N 3.17Å
594	G	94.2	Very high	80	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.7	177.3	0	0	0	0	0	113.9	L582 L592 T612	L582-G594 PolarHBondContact N-O 3.26Å; L582-G594 PolarHBondContact O-N 3.26Å; L592-G594 WeakPolarHBondContact CD1-O 3.37Å; G594-T612 VanDerWaalsContact CA-O 3.24Å; G594-T612 WeakPolarHBondContact CA-O 3.33Å
595	I	96.2	Very high	79.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.1	169.5	-57.7	162.9	0	0	0	107	L430 A432 I484 G580 S597 Y611 T612 V614	L430-I595 HydrophobicContact CD2-CD1 3.75Å; L430-I595 HydrophobicContact CD2-CG1 4.36Å; L430-I595 HydrophobicContact CG-CD1 3.8Å; A432-I595 HydrophobicContact CB-CG2 4.19Å; I484-I595 HydrophobicContact CB-CD1 4.37Å; I484-I595 HydrophobicContact CD1-CD1 3.8Å; I484-I595 HydrophobicContact CG1-CD1 3.66Å; G580-I595 WeakPolarHBondContact O-CA 3.39Å; I595-S597 PolarHBondContact O-N 3.34Å; I595-S597 VanDerWaalsContact O-N 3.16Å; I595-Y611 CarbonylContact O-C 3.56Å; I595-Y611 WeakPolarHBondContact O-CA 3.44Å; I595-Y611 WeakPolarHBondContact O-CB 3.43Å; I595-T612 PolarHBondContact N-O 2.57Å; I595-T612 VanDerWaalsContact N-O 3.12Å; I595-T612 PolarHBondContact O-N 2.7Å; I595-V614 HydrophobicContact CD1-CG2 3.96Å; I595-V614 HydrophobicContact CG1-CG2 3.72Å
596	T	92.5	Very high	80	Confident	10 Å²	10	45.6 Å²	45.6	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	116.9	178.8	-52.5	0	0	0	0	110.4	A573 D577 G579 G580 Y611	A573-T596 HydrophobicContact CB-CG2 3.62Å; D577-T596 HydrophobicContact CB-CG2 4.33Å; D577-T596 WeakPolarHBondContact O-CB 3.29Å; D577-T596 PolarHBondContact O-OG1 3.08Å; G579-T596 PolarHBondContact N-O 3.34Å; G580-T596 PolarHBondContact O-N 3.3Å; G580-T596 PolarHBondContact O-OG1 2.8Å; T596-Y611 HydrophobicContact CG2-CE1 4.3Å
597	S	88.8	Confident	80.5	Confident	8 Å²	8	44.8 Å²	44.8	6%	0.056	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-68.6	-174.3	-177.2	0	0	0	0	111.2	H434 D483 I595 V610	H434-S597 PolarHBondContact CE1-O 3.44Å; D483-S597 WeakPolarHBondContact CB-OG 3.21Å; D483-S597 WeakPolarHBondContact OD2-CA 3.21Å; D483-S597 VanDerWaalsContact OD2-CB 3.29Å; D483-S597 WeakPolarHBondContact OD2-CB 3.43Å; D483-S597 PolarHBondContact OD2-OG 3.34Å; I595-S597 PolarHBondContact O-N 3.34Å; I595-S597 VanDerWaalsContact O-N 3.16Å; S597-V610 WeakPolarHBondContact CB-O 3.39Å; S597-V610 PolarHBondContact N-O 3.31Å
598	W	86	Confident	82	Confident	62 Å²	62	39.1 Å²	39.1	24%	0.235	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	168	-178.6	59.5	-93.2	0	0	0	113	Y552 Y555 I557 V610	Y552-W598 HydrophobicContact CD1-CH2 4.49Å; Y552-W598 HydrophobicContact CD1-CZ3 4.04Å; Y552-W598 HydrophobicContact CD2-CH2 4.25Å; Y552-W598 HydrophobicContact CD2-CZ3 4.26Å; Y552-W598 HydrophobicContact CE1-CZ3 4.04Å; Y552-W598 HydrophobicContact CE2-CZ3 4.22Å; Y552-W598 HydrophobicContact CG-CH2 4.19Å; Y552-W598 HydrophobicContact CG-CZ3 4.16Å; Y555-W598 HydrophobicContact CD1-CH2 4.41Å; Y555-W598 HydrophobicContact CG-CH2 4.05Å; Y555-W598 HydrophobicContact CG-CZ3 4.42Å; I557-W598 HydrophobicContact CD1-CH2 3.72Å; I557-W598 HydrophobicContact CD1-CZ2 3.89Å; W598-V610 HydrophobicContact CD2-CB 3.88Å; W598-V610 HydrophobicContact CD2-CG1 4.36Å; W598-V610 HydrophobicContact CD2-CG2 4.15Å; W598-V610 HydrophobicContact CE3-CB 4.2Å; W598-V610 HydrophobicContact CE3-CG2 3.97Å; W598-V610 HydrophobicContact CG-CB 4.38Å; W598-V610 HydrophobicContact CH2-CB 4.34Å; W598-V610 HydrophobicContact CH2-CG1 4.48Å; W598-V610 HydrophobicContact CH2-CG2 3.73Å; W598-V610 HydrophobicContact CZ2-CB 4.01Å; W598-V610 HydrophobicContact CZ2-CG1 3.81Å; W598-V610 HydrophobicContact CZ2-CG2 3.89Å; W598-V610 HydrophobicContact CZ3-CB 4.42Å; W598-V610 HydrophobicContact CZ3-CG2 3.76Å; W598-V610 PolarHBondContact N-O 2.67Å; W598-V610 VanDerWaalsContact N-O 3.08Å; W598-V610 WeakPolarHBondContact O-CA 3.43Å; W598-V610 WeakPolarHBondContact O-CB 3.47Å; W598-V610 PolarHBondContact O-N 2.77Å; W598-V610 VanDerWaalsContact O-O 3.13Å
599	G	81.7	Confident	83.8	Confident	33 Å²	33	37 Å²	37	34%	0.34	18%	0.183	S	C	.	.			trans	-165.1	157.5	173.3	0	0	0	0	0	109.3
600	E	78.6	Confident	85.2	Confident	86 Å²	86	34.8 Å²	34.8	40%	0.402	17%	0.172	S	C	.	.	S	Bend	trans	-90.8	110.9	173.9	-161.9	-157.8	144.4	0	0	110.2	Y552 R604 Q607	Y552-E600 HydrophobicContact CE1-CB 3.79Å; Y552-E600 PolarHBondContact OH-N 2.82Å; E600-R604 WeakPolarHBondContact O-CD 3.5Å; E600-R604 IonicContact OE1-NH1 3.34Å; E600-R604 PolarHBondContact OE1-NH1 2.87Å; E600-Q607 PolarHBondContact O-OE1 3.39Å; E600-Q607 PolarHBondContact OE2-NE2 2.83Å
601	G	73.6	Confident	86	Confident	24 Å²	24	33.6 Å²	33.6	25%	0.247	17%	0.168	C	C	.	.	S	Bend	trans	67.7	-152.3	-166.6	0	0	0	0	0	111.6	E527	E527-G601 VanDerWaalsContact CD-CA 3.45Å; E527-G601 WeakPolarHBondContact OE2-CA 3.45Å
602	C	72.2	Confident	86.4	Confident	18 Å²	18	31.9 Å²	31.9	12%	0.122	16%	0.162	C	C	.	.	S	Bend	trans	-142.1	129.8	172.1	-55.1	0	0	0	0	109.8	E527 C574 R604	E527-C602 HydrophobicContact CB-CB 4.09Å; E527-C602 HydrophobicContact CG-CB 4.46Å; E527-C602 PolarHBondContact OE2-N 3.09Å; C574-C602 WeakPolarHBondContact CA-SG 3.42Å; C574-C602 HydrophobicContact CB-CB 3.67Å; C574-C602 WeakPolarHBondContact CB-SG 3.41Å; C574-C602 WeakPolarHBondContact SG-CB 3.31Å; C574-C602 CovalentContact SG-SG 2.03Å; C574-C602 PolarHBondContact SG-SG 2.03Å; C602-R604 PolarHBondContact O-N 2.86Å; C602-R604 VanDerWaalsContact O-N 3.16Å
603	A	71.6	Confident	86.4	Confident	32 Å²	32	33.7 Å²	33.7	26%	0.264	17%	0.169	S	C	.	.	S	Bend	trans	57.7	27.8	175	0	0	0	0	0	114.7	G570 D572	G570-A603 PolarHBondContact N-O 3Å; D572-A603 HydrophobicContact CB-CB 3.71Å; D572-A603 VanDerWaalsContact CB-N 3.3Å; D572-A603 PolarHBondContact OD2-N 2.99Å; D572-A603 VanDerWaalsContact OD2-N 3.1Å
604	R	78.8	Confident	86.4	Confident	83 Å²	83	33.1 Å²	33.1	31%	0.313	17%	0.166	S	C	.	.			trans	-72.3	154.2	174.4	-69.5	177	178.5	179.1	4.7	111	E527 G569 E600 C602 E606 Q607	E527-R604 IonicContact OE1-CZ 3.89Å; E527-R604 IonicContact OE1-NE 2.93Å; E527-R604 PolarHBondContact OE1-NE 2.72Å; E527-R604 IonicContact OE1-NH2 2.7Å; E527-R604 PolarHBondContact OE1-NH2 2.69Å; E527-R604 WeakPolarHBondContact OE2-CG 3.47Å; E527-R604 IonicContact OE2-CZ 2.71Å; E527-R604 IonicContact OE2-NE 2.68Å; E527-R604 PolarHBondContact OE2-NE 3.41Å; E527-R604 IonicContact OE2-NH2 3.43Å; G569-R604 WeakPolarHBondContact CA-O 3.5Å; E600-R604 WeakPolarHBondContact O-CD 3.5Å; E600-R604 IonicContact OE1-NH1 3.34Å; E600-R604 PolarHBondContact OE1-NH1 2.87Å; C602-R604 PolarHBondContact O-N 2.86Å; C602-R604 VanDerWaalsContact O-N 3.16Å; R604-E606 PolarHBondContact O-N 3.14Å; R604-Q607 HydrophobicContact CB-CB 4.14Å; R604-Q607 HydrophobicContact CB-CG 4.39Å; R604-Q607 PolarHBondContact O-N 3.46Å
605	R	83.1	Confident	86.1	Confident	186 Å²	186	33.6 Å²	33.6	70%	0.702	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	133.9	178.4	-166.6	-167.2	167.3	161.5	-3.9	109.7	K567 Q607	K567-R605 WeakPolarHBondContact O-CG 3.44Å; R605-Q607 PolarHBondContact O-N 3.29Å; R605-Q607 VanDerWaalsContact O-N 3.14Å
606	E	83.8	Confident	85.8	Confident	62 Å²	62	37 Å²	37	29%	0.29	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	12.8	-179.2	-44.2	-153.9	118.2	0	0	116.6	R551 K567 R604 P608	R551-E606 WeakPolarHBondContact CB-O 3.16Å; R551-E606 VanDerWaalsContact CD-O 3.3Å; R551-E606 WeakPolarHBondContact CD-O 3.41Å; R551-E606 WeakPolarHBondContact CG-O 3.47Å; R551-E606 IonicContact CZ-OE1 2.74Å; R551-E606 IonicContact CZ-OE2 3.81Å; R551-E606 IonicContact NH1-OE1 2.75Å; R551-E606 PolarHBondContact NH1-OE1 3.42Å; R551-E606 IonicContact NH1-OE2 2.6Å; R551-E606 PolarHBondContact NH1-OE2 2.95Å; R551-E606 IonicContact NH2-OE1 3.66Å; R551-E606 PolarHBondContact NH2-OE1 2.91Å; K567-E606 WeakPolarHBondContact CE-OE1 3.47Å; K567-E606 HydrophobicContact CG-CG 4.22Å; K567-E606 IonicContact NZ-OE1 3.76Å; K567-E606 PolarHBondContact O-N 2.84Å; R604-E606 PolarHBondContact O-N 3.14Å; E606-P608 WeakPolarHBondContact O-CD 3.45Å
607	Q	85.4	Confident	85.7	Confident	38 Å²	38	36.9 Å²	36.9	18%	0.178	18%	0.184	C	C	.	.			trans	-116.1	94.8	176.2	-61.8	-166.6	-52.6	0	0	109.7	E600 R604 R605	E600-Q607 PolarHBondContact O-OE1 3.39Å; E600-Q607 PolarHBondContact OE2-NE2 2.83Å; R604-Q607 HydrophobicContact CB-CB 4.14Å; R604-Q607 HydrophobicContact CB-CG 4.39Å; R604-Q607 PolarHBondContact O-N 3.46Å; R605-Q607 PolarHBondContact O-N 3.29Å; R605-Q607 VanDerWaalsContact O-N 3.14Å
608	P	90.4	Very high	85.6	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.052	19%	0.186	C	C	.	.			trans	-78.4	148.1	-179.9	31.9	-34.3	0	0	0	111.5	V543 Y552 C563 E606	V543-P608 HydrophobicContact CG2-CB 4.17Å; Y552-P608 HydrophobicContact CE2-CG 4.26Å; Y552-P608 VanDerWaalsContact CE2-O 3.23Å; Y552-P608 WeakPolarHBondContact CE2-O 3.46Å; Y552-P608 PolarHBondContact OH-O 3.02Å; C563-P608 HydrophobicContact CB-CB 4.38Å; C563-P608 HydrophobicContact CB-CG 4.28Å; E606-P608 WeakPolarHBondContact O-CD 3.45Å
609	G	89.9	Confident	85.5	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	147.4	170.3	0	0	0	0	0	112	C563 A564 D572 Y611	C563-G609 VanDerWaalsContact CA-O 3.29Å; C563-G609 WeakPolarHBondContact CA-O 3.36Å; A564-G609 PolarHBondContact N-O 2.77Å; A564-G609 PolarHBondContact O-N 3.37Å; D572-G609 WeakPolarHBondContact OD1-CA 3.14Å; D572-G609 PolarHBondContact OD1-N 3.3Å; G609-Y611 VanDerWaalsContact C-CE2 3.43Å; G609-Y611 WeakPolarHBondContact O-CD2 3.29Å; G609-Y611 VanDerWaalsContact O-CE2 3.27Å; G609-Y611 WeakPolarHBondContact O-CE2 3.23Å
610	V	92.7	Very high	85.9	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	-178.9	-172.8	0	0	0	0	110.1	Y552 I557 M561 S597 W598	Y552-V610 HydrophobicContact CD2-CG2 4.16Å; Y552-V610 HydrophobicContact CE2-CG2 3.68Å; I557-V610 HydrophobicContact CD1-CG1 4.47Å; I557-V610 HydrophobicContact CD1-CG2 4.22Å; M561-V610 HydrophobicContact CB-CG1 4.02Å; M561-V610 HydrophobicContact CG-CG1 4.11Å; M561-V610 HydrophobicContact SD-CG1 4.38Å; S597-V610 WeakPolarHBondContact CB-O 3.39Å; S597-V610 PolarHBondContact N-O 3.31Å; W598-V610 HydrophobicContact CD2-CB 3.88Å; W598-V610 HydrophobicContact CD2-CG1 4.36Å; W598-V610 HydrophobicContact CD2-CG2 4.15Å; W598-V610 HydrophobicContact CE3-CB 4.2Å; W598-V610 HydrophobicContact CE3-CG2 3.97Å; W598-V610 HydrophobicContact CG-CB 4.38Å; W598-V610 HydrophobicContact CH2-CB 4.34Å; W598-V610 HydrophobicContact CH2-CG1 4.48Å; W598-V610 HydrophobicContact CH2-CG2 3.73Å; W598-V610 HydrophobicContact CZ2-CB 4.01Å; W598-V610 HydrophobicContact CZ2-CG1 3.81Å; W598-V610 HydrophobicContact CZ2-CG2 3.89Å; W598-V610 HydrophobicContact CZ3-CB 4.42Å; W598-V610 HydrophobicContact CZ3-CG2 3.76Å; W598-V610 PolarHBondContact N-O 2.67Å; W598-V610 VanDerWaalsContact N-O 3.08Å; W598-V610 WeakPolarHBondContact O-CA 3.43Å; W598-V610 WeakPolarHBondContact O-CB 3.47Å; W598-V610 PolarHBondContact O-N 2.77Å; W598-V610 VanDerWaalsContact O-O 3.13Å
611	Y	94.4	Very high	86.3	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.5	-171.4	-56.9	-103.5	0	0	0	110.1	V519 M561 V562 A564 L582 I595 T596 G609 K613	V519-Y611 HydrophobicContact CG2-CE1 3.85Å; M561-Y611 CarbonylContact C-O 3.52Å; M561-Y611 WeakPolarHBondContact CA-O 3Å; V562-Y611 PolarHBondContact N-O 3.23Å; V562-Y611 WeakPolarHBondContact O-CB 3.32Å; V562-Y611 PolarHBondContact O-N 2.66Å; A564-Y611 HydrophobicContact CB-CD2 4.27Å; A564-Y611 HydrophobicContact CB-CE2 3.82Å; L582-Y611 HydrophobicContact CB-CD1 3.68Å; L582-Y611 HydrophobicContact CB-CE1 4.01Å; L582-Y611 HydrophobicContact CB-CG 4.28Å; L582-Y611 HydrophobicContact CD2-CD1 4.01Å; L582-Y611 HydrophobicContact CD2-CD2 3.97Å; L582-Y611 HydrophobicContact CD2-CE1 4.46Å; L582-Y611 HydrophobicContact CD2-CE2 4.44Å; L582-Y611 HydrophobicContact CD2-CG 3.78Å; L582-Y611 HydrophobicContact CG-CD1 4.39Å; I595-Y611 CarbonylContact O-C 3.56Å; I595-Y611 WeakPolarHBondContact O-CA 3.44Å; I595-Y611 WeakPolarHBondContact O-CB 3.43Å; T596-Y611 HydrophobicContact CG2-CE1 4.3Å; G609-Y611 VanDerWaalsContact C-CE2 3.43Å; G609-Y611 WeakPolarHBondContact O-CD2 3.29Å; G609-Y611 VanDerWaalsContact O-CE2 3.27Å; G609-Y611 WeakPolarHBondContact O-CE2 3.23Å; Y611-K613 PolarHBondContact O-N 2.84Å
612	T	94.9	Very high	86.8	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.3	172.2	-62	0	0	0	0	109.5	D483 I484 G594 I595 V614 Y617	D483-T612 WeakPolarHBondContact O-CB 3.06Å; D483-T612 PolarHBondContact O-OG1 2.92Å; I484-T612 HydrophobicContact CB-CG2 4.21Å; G594-T612 VanDerWaalsContact CA-O 3.24Å; G594-T612 WeakPolarHBondContact CA-O 3.33Å; I595-T612 PolarHBondContact N-O 2.57Å; I595-T612 VanDerWaalsContact N-O 3.12Å; I595-T612 PolarHBondContact O-N 2.7Å; T612-V614 PolarHBondContact O-N 3.06Å; T612-V614 VanDerWaalsContact O-N 3.1Å; T612-Y617 HydrophobicContact CG2-CD2 3.74Å; T612-Y617 HydrophobicContact CG2-CE2 3.3Å
613	K	93.5	Very high	87.3	Confident	37 Å²	37	40.8 Å²	40.8	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	96.3	-174.8	-174.3	-174.3	175.4	-160.3	0	110.7	Q559 R560 V562 Y611 A615 E616 Y617	Q559-K613 WeakPolarHBondContact O-CD 3.24Å; R560-K613 WeakPolarHBondContact O-CB 3.24Å; R560-K613 PolarHBondContact O-N 3.1Å; V562-K613 HydrophobicContact CB-CB 4.14Å; V562-K613 HydrophobicContact CB-CG 4.25Å; V562-K613 HydrophobicContact CG1-CB 4.1Å; V562-K613 HydrophobicContact CG1-CG 4.4Å; Y611-K613 PolarHBondContact O-N 2.84Å; K613-A615 PolarHBondContact O-N 3.13Å; K613-E616 HydrophobicContact CB-CG 4.34Å; K613-E616 HydrophobicContact CD-CG 3.79Å; K613-E616 WeakPolarHBondContact CE-OE1 3.34Å; K613-E616 HydrophobicContact CG-CG 4.15Å; K613-E616 IonicContact NZ-OE1 2.79Å; K613-E616 PolarHBondContact NZ-OE1 3.07Å; K613-E616 PolarHBondContact O-N 3.49Å; K613-Y617 WeakPolarHBondContact O-CD2 3.01Å
614	V	92.6	Very high	87.9	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56	-32.4	-169.9	179.5	0	0	0	0	113.5	L430 L504 P505 L592 V593 I595 T612 E616 Y617 M618 I621	L430-V614 HydrophobicContact CD2-CG1 4.1Å; L430-V614 HydrophobicContact CD2-CG2 4.37Å; L504-V614 HydrophobicContact CD2-CG1 3.87Å; P505-V614 HydrophobicContact CG-CB 3.96Å; P505-V614 HydrophobicContact CG-CG1 3.94Å; L592-V614 HydrophobicContact CG-CG2 4.2Å; L592-V614 WeakPolarHBondContact O-CB 3.5Å; V593-V614 PolarHBondContact O-N 3.18Å; V593-V614 VanDerWaalsContact O-N 3.17Å; I595-V614 HydrophobicContact CD1-CG2 3.96Å; I595-V614 HydrophobicContact CG1-CG2 3.72Å; T612-V614 PolarHBondContact O-N 3.06Å; T612-V614 VanDerWaalsContact O-N 3.1Å; V614-E616 PolarHBondContact O-N 2.95Å; V614-E616 VanDerWaalsContact O-N 3.15Å; V614-Y617 PolarHBondContact O-N 2.9Å; V614-M618 HydrophobicContact CG1-SD 4.26Å; V614-M618 PolarHBondContact O-N 3.38Å; V614-I621 HydrophobicContact CG1-CD1 3.87Å
615	A	87.8	Confident	88	Confident	9 Å²	9	38.1 Å²	38.1	7%	0.074	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.4	-32.2	178.1	0	0	0	0	0	113.9	P505 T510 K613 Y617 M618	P505-A615 HydrophobicContact CB-CB 4.23Å; P505-A615 HydrophobicContact CG-CB 4.03Å; T510-A615 HydrophobicContact CG2-CB 4.24Å; K613-A615 PolarHBondContact O-N 3.13Å; A615-Y617 VanDerWaalsContact C-N 3.35Å; A615-M618 WeakPolarHBondContact O-CG 3.47Å
616	E	90.3	Very high	87.5	Confident	73 Å²	73	35.5 Å²	35.5	34%	0.341	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-80.5	-15	179.8	-53.6	-59.1	155.4	0	0	113.2	T510 R560 K613 V614	T510-E616 VanDerWaalsContact CG2-OE1 3.24Å; T510-E616 WeakPolarHBondContact CG2-OE1 3.07Å; R560-E616 HydrophobicContact CG-CB 4.2Å; K613-E616 HydrophobicContact CB-CG 4.34Å; K613-E616 HydrophobicContact CD-CG 3.79Å; K613-E616 WeakPolarHBondContact CE-OE1 3.34Å; K613-E616 HydrophobicContact CG-CG 4.15Å; K613-E616 IonicContact NZ-OE1 2.79Å; K613-E616 PolarHBondContact NZ-OE1 3.07Å; K613-E616 PolarHBondContact O-N 3.49Å; V614-E616 PolarHBondContact O-N 2.95Å; V614-E616 VanDerWaalsContact O-N 3.15Å
617	Y	90.5	Very high	86	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.027	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-103.7	5.7	-179.2	-65.7	-88.3	0	0	0	113	H472 H482 I484 R560 T612 K613 V614 A615 D619 W620 I621	H472-Y617 AromaticContact CD2-CD1 3.83Å; H472-Y617 AromaticContact CD2-CE1 3.84Å; H472-Y617 AromaticContact NE2-CE1 3.96Å; H482-Y617 WeakPolarHBondContact CA-OH 3.36Å; H482-Y617 AromaticContact ND1-CE1 3.62Å; I484-Y617 HydrophobicContact CD1-CD1 4.34Å; I484-Y617 HydrophobicContact CD1-CD2 4.36Å; I484-Y617 HydrophobicContact CD1-CG 3.88Å; I484-Y617 HydrophobicContact CG2-CD1 3.72Å; I484-Y617 HydrophobicContact CG2-CE1 3.83Å; I484-Y617 HydrophobicContact CG2-CG 4.26Å; R560-Y617 HydrophobicContact CB-CE2 3.94Å; R560-Y617 WeakPolarHBondContact CB-OH 3.5Å; R560-Y617 WeakPolarHBondContact CD-OH 3.4Å; R560-Y617 HydrophobicContact CG-CE2 4.45Å; T612-Y617 HydrophobicContact CG2-CD2 3.74Å; T612-Y617 HydrophobicContact CG2-CE2 3.3Å; K613-Y617 WeakPolarHBondContact O-CD2 3.01Å; V614-Y617 PolarHBondContact O-N 2.9Å; A615-Y617 VanDerWaalsContact C-N 3.35Å; Y617-D619 VanDerWaalsContact C-N 3.3Å; Y617-D619 PolarHBondContact O-N 2.79Å; Y617-W620 WeakPolarHBondContact O-CB 3.19Å; Y617-W620 PolarHBondContact O-N 3.17Å; Y617-W620 VanDerWaalsContact O-N 3.08Å; Y617-I621 WeakPolarHBondContact O-CG1 3.18Å; Y617-I621 PolarHBondContact O-N 2.85Å
618	M	85.5	Confident	84.4	Confident	19 Å²	19	35.4 Å²	35.4	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-33.8	-174.5	-73.9	-55.6	-53.1	0	0	114.5	L504 P505 K507 V614 A615 I621 L622	L504-M618 HydrophobicContact CB-CE 3.67Å; L504-M618 HydrophobicContact CB-SD 3.71Å; L504-M618 HydrophobicContact CD1-CE 3.81Å; L504-M618 HydrophobicContact CD1-SD 4.16Å; L504-M618 HydrophobicContact CG-CE 4.37Å; L504-M618 HydrophobicContact CG-SD 4.38Å; P505-M618 WeakPolarHBondContact O-CG 3.32Å; P505-M618 VanDerWaalsContact O-SD 3.37Å; K507-M618 HydrophobicContact CG-CB 4.11Å; V614-M618 HydrophobicContact CG1-SD 4.26Å; V614-M618 PolarHBondContact O-N 3.38Å; A615-M618 WeakPolarHBondContact O-CG 3.47Å; M618-I621 HydrophobicContact SD-CD1 4.21Å; M618-L622 WeakPolarHBondContact O-CB 3.44Å; M618-L622 WeakPolarHBondContact O-CD1 3.44Å; M618-L622 WeakPolarHBondContact O-CG 3.41Å; M618-L622 PolarHBondContact O-N 3.41Å; M618-L622 VanDerWaalsContact O-N 3.09Å
619	D	83.7	Confident	82.5	Confident	94 Å²	94	38.5 Å²	38.5	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-48.5	173.5	-73.2	-37.1	0	0	0	111.4	K507 Y617 I621 L622 E623	K507-D619 WeakPolarHBondContact CE-OD1 3.43Å; K507-D619 WeakPolarHBondContact CE-OD2 3.34Å; K507-D619 IonicContact NZ-OD1 3.23Å; K507-D619 PolarHBondContact NZ-OD1 3.24Å; K507-D619 IonicContact NZ-OD2 3.3Å; K507-D619 PolarHBondContact NZ-OD2 3.28Å; Y617-D619 VanDerWaalsContact C-N 3.3Å; Y617-D619 PolarHBondContact O-N 2.79Å; D619-I621 VanDerWaalsContact C-N 3.34Å; D619-I621 PolarHBondContact O-N 2.96Å; D619-L622 PolarHBondContact O-N 2.89Å; D619-E623 VanDerWaalsContact O-CB 3.3Å; D619-E623 WeakPolarHBondContact O-CB 3.46Å; D619-E623 PolarHBondContact O-N 3.18Å
620	W	91.3	Very high	79.8	Confident	17 Å²	17	40.3 Å²	40.3	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-43.3	-179.9	-178.7	89.1	0	0	0	111.3	I470 H472 I484 L486 Y617 L622 E623 K624	I470-W620 HydrophobicContact CG2-CH2 4.41Å; I470-W620 HydrophobicContact CG2-CZ2 3.99Å; I470-W620 WeakPolarHBondContact O-CH2 3.26Å; H472-W620 HydrophobicContact CB-CH2 4.43Å; H472-W620 HydrophobicContact CB-CZ2 3.91Å; H472-W620 AromaticContact CD2-CD1 3.62Å; H472-W620 AromaticContact CD2-CD2 3.8Å; H472-W620 AromaticContact CD2-CE2 3.7Å; H472-W620 AromaticContact CD2-CG 3.77Å; H472-W620 AromaticContact CD2-NE1 3.55Å; H472-W620 AromaticContact NE2-CD1 3.89Å; I484-W620 HydrophobicContact CD1-CE3 4.42Å; I484-W620 HydrophobicContact CD1-CZ3 4.23Å; I484-W620 HydrophobicContact CG1-CZ3 4.04Å; I484-W620 HydrophobicContact CG2-CE3 4.46Å; I484-W620 HydrophobicContact CG2-CZ3 4.2Å; L486-W620 HydrophobicContact CB-CH2 4.36Å; L486-W620 HydrophobicContact CD1-CE3 4.34Å; L486-W620 HydrophobicContact CD1-CH2 4.16Å; L486-W620 HydrophobicContact CD1-CZ3 3.79Å; L486-W620 HydrophobicContact CG-CH2 4.17Å; L486-W620 HydrophobicContact CG-CZ3 3.85Å; Y617-W620 WeakPolarHBondContact O-CB 3.19Å; Y617-W620 PolarHBondContact O-N 3.17Å; Y617-W620 VanDerWaalsContact O-N 3.08Å; W620-L622 PolarHBondContact O-N 2.95Å; W620-E623 PolarHBondContact O-N 3.05Å; W620-K624 HydrophobicContact CD2-CG 4.24Å; W620-K624 HydrophobicContact CZ2-CG 4.27Å; W620-K624 WeakPolarHBondContact O-CB 3.3Å; W620-K624 VanDerWaalsContact O-CG 3.3Å; W620-K624 WeakPolarHBondContact O-CG 3.45Å; W620-K624 PolarHBondContact O-N 3.04Å
621	I	87.1	Confident	77	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-46.7	176.2	-62.8	165.9	0	0	0	110.8	I424 L430 I484 L504 V614 Y617 M618 D619 T625	I424-I621 HydrophobicContact CD1-CG2 3.95Å; L430-I621 HydrophobicContact CD1-CD1 4.18Å; L430-I621 HydrophobicContact CD1-CG1 4.16Å; L430-I621 HydrophobicContact CD2-CD1 3.88Å; I484-I621 HydrophobicContact CD1-CD1 4.24Å; I484-I621 HydrophobicContact CD1-CG1 4.41Å; L504-I621 HydrophobicContact CD1-CD1 4.5Å; L504-I621 HydrophobicContact CD1-CG2 3.76Å; L504-I621 HydrophobicContact CD2-CD1 4.45Å; V614-I621 HydrophobicContact CG1-CD1 3.87Å; Y617-I621 WeakPolarHBondContact O-CG1 3.18Å; Y617-I621 PolarHBondContact O-N 2.85Å; M618-I621 HydrophobicContact SD-CD1 4.21Å; D619-I621 VanDerWaalsContact C-N 3.34Å; D619-I621 PolarHBondContact O-N 2.96Å; I621-T625 HydrophobicContact CG2-CG2 4.36Å; I621-T625 WeakPolarHBondContact O-CB 3.48Å; I621-T625 VanDerWaalsContact O-CG2 3.25Å; I621-T625 WeakPolarHBondContact O-CG2 3.45Å; I621-T625 PolarHBondContact O-N 3.36Å; I621-T625 PolarHBondContact O-OG1 3.42Å
622	L	83.1	Confident	74.2	Confident	79 Å²	79	49.7 Å²	49.7	41%	0.414	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-41.2	179.9	-70.4	170.1	0	0	0	112.4	M618 D619 W620 T625 Q626	M618-L622 WeakPolarHBondContact O-CB 3.44Å; M618-L622 WeakPolarHBondContact O-CD1 3.44Å; M618-L622 WeakPolarHBondContact O-CG 3.41Å; M618-L622 PolarHBondContact O-N 3.41Å; M618-L622 VanDerWaalsContact O-N 3.09Å; D619-L622 PolarHBondContact O-N 2.89Å; W620-L622 PolarHBondContact O-N 2.95Å; L622-T625 PolarHBondContact O-OG1 3.16Å; L622-Q626 WeakPolarHBondContact O-CB 2.86Å; L622-Q626 WeakPolarHBondContact O-CG 3.01Å; L622-Q626 PolarHBondContact O-N 3.11Å; L622-Q626 VanDerWaalsContact O-N 3.09Å
623	E	83.2	Confident	71.2	Confident	103 Å²	103	60.5 Å²	60.5	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-50.9	178	-172.4	-150.2	127.6	0	0	111.2	D619 W620 S627	D619-E623 VanDerWaalsContact O-CB 3.3Å; D619-E623 WeakPolarHBondContact O-CB 3.46Å; D619-E623 PolarHBondContact O-N 3.18Å; W620-E623 PolarHBondContact O-N 3.05Å; E623-S627 VanDerWaalsContact O-CB 3.23Å; E623-S627 WeakPolarHBondContact O-CB 3.44Å; E623-S627 PolarHBondContact O-N 3.38Å
624	K	84.4	Confident	68.1	Low	36 Å²	36	66.8 Å²	66.8	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-39.2	-177.7	-61.1	-55.3	171.5	-154.1	0	112.6	I470 L486 W620 S628	I470-K624 HydrophobicContact CD1-CB 4.32Å; I470-K624 HydrophobicContact CG2-CB 4.43Å; I470-K624 HydrophobicContact CG2-CD 4.16Å; I470-K624 HydrophobicContact CG2-CG 4.07Å; L486-K624 HydrophobicContact CD1-CB 3.75Å; W620-K624 HydrophobicContact CD2-CG 4.24Å; W620-K624 HydrophobicContact CZ2-CG 4.27Å; W620-K624 WeakPolarHBondContact O-CB 3.3Å; W620-K624 VanDerWaalsContact O-CG 3.3Å; W620-K624 WeakPolarHBondContact O-CG 3.45Å; W620-K624 PolarHBondContact O-N 3.04Å; K624-S628 PolarHBondContact O-N 2.79Å; K624-S628 PolarHBondContact O-OG 3.2Å
625	T	80.3	Confident	65.2	Low	22 Å²	22	75.3 Å²	75.3	14%	0.135	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-38.7	177.3	52.6	0	0	0	0	112.5	W428 L486 I621 L622	W428-T625 HydrophobicContact CD2-CG2 3.74Å; W428-T625 HydrophobicContact CE3-CG2 4.15Å; W428-T625 HydrophobicContact CG-CG2 3.98Å; W428-T625 HydrophobicContact CZ2-CG2 4.17Å; L486-T625 HydrophobicContact CD1-CG2 4.15Å; L486-T625 HydrophobicContact CD2-CG2 4.35Å; I621-T625 HydrophobicContact CG2-CG2 4.36Å; I621-T625 WeakPolarHBondContact O-CB 3.48Å; I621-T625 VanDerWaalsContact O-CG2 3.25Å; I621-T625 WeakPolarHBondContact O-CG2 3.45Å; I621-T625 PolarHBondContact O-N 3.36Å; I621-T625 PolarHBondContact O-OG1 3.42Å; L622-T625 PolarHBondContact O-OG1 3.16Å
626	Q	72.4	Confident	62.1	Low	132 Å²	132	79.1 Å²	79.1	62%	0.617	42%	0.424	S	S	*	.	H	α-helix	trans	-75.5	-43.6	178.9	-68.6	173.2	20.6	0	0	113.3	L622 S628 D629 G630	L622-Q626 WeakPolarHBondContact O-CB 2.86Å; L622-Q626 WeakPolarHBondContact O-CG 3.01Å; L622-Q626 PolarHBondContact O-N 3.11Å; L622-Q626 VanDerWaalsContact O-N 3.09Å; Q626-S628 PolarHBondContact O-N 2.75Å; Q626-D629 PolarHBondContact O-N 2.74Å; Q626-G630 PolarHBondContact O-N 3.49Å
627	S	52.7	Low	59.8	Low	74 Å²	74	81.8 Å²	81.8	52%	0.517	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-43.8	-178	-173.1	0	0	0	0	112	E623 D629 G630	E623-S627 VanDerWaalsContact O-CB 3.23Å; E623-S627 WeakPolarHBondContact O-CB 3.44Å; E623-S627 PolarHBondContact O-N 3.38Å; S627-D629 PolarHBondContact O-N 2.75Å; S627-G630 PolarHBondContact O-N 3.44Å
628	S	52.1	Low	56.9	Low	24 Å²	24	89.9 Å²	89.9	17%	0.168	52%	0.516	C	S	.	.	H	α-helix	trans	-69.7	-11.7	180	-59.2	0	0	0	0	114.4	K488 K624 Q626	K488-S628 VanDerWaalsContact NZ-C 3.27Å; K488-S628 PolarHBondContact NZ-O 3.34Å; K624-S628 PolarHBondContact O-N 2.79Å; K624-S628 PolarHBondContact O-OG 3.2Å; Q626-S628 PolarHBondContact O-N 2.75Å
629	D	49.7	Very low	55.5	Low	73 Å²	73	93.4 Å²	93.4	39%	0.39	54%	0.537	S	S	.	.	H	α-helix	trans	-94.5	-26.1	174.5	-73.8	-14	0	0	0	112.4	K488 Q626 S627 A632	K488-D629 IonicContact NZ-OD1 2.77Å; K488-D629 PolarHBondContact NZ-OD1 3.21Å; Q626-D629 PolarHBondContact O-N 2.74Å; S627-D629 PolarHBondContact O-N 2.75Å; D629-A632 PolarHBondContact O-N 2.84Å
630	G	34.6	Very low	54	Low	41 Å²	41	93.4 Å²	93.4	42%	0.423	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-42.1	175.4	0	0	0	0	0	113.3	Q626 S627 A632 R633	Q626-G630 PolarHBondContact O-N 3.49Å; S627-G630 PolarHBondContact O-N 3.44Å; G630-A632 PolarHBondContact O-N 2.85Å; G630-A632 VanDerWaalsContact O-N 3.13Å; G630-R633 PolarHBondContact O-N 3.04Å; G630-R633 VanDerWaalsContact O-N 3.1Å
631	N	34	Very low	51.9	Low	123 Å²	123	97.6 Å²	97.6	66%	0.658	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-64.6	-16.6	-180	-82.3	-11.9	0	0	0	114.1	R633	N631-R633 VanDerWaalsContact C-N 3.28Å; N631-R633 PolarHBondContact O-N 3.35Å
632	A	35.2	Very low	49.9	Very low	76 Å²	76	103.2 Å²	103.2	63%	0.628	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-75.9	-13.2	175.5	0	0	0	0	0	113.7	D629 G630	D629-A632 PolarHBondContact O-N 2.84Å; G630-A632 PolarHBondContact O-N 2.85Å; G630-A632 VanDerWaalsContact O-N 3.13Å
633	R	32.1	Very low	47.8	Very low	230 Å²	230	104.8 Å²	104.8	87%	0.868	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-98.5	-5.9	-179.1	-73	-173	174.9	-175.6	-0.7	115	G630 N631	G630-R633 PolarHBondContact O-N 3.04Å; G630-R633 VanDerWaalsContact O-N 3.1Å; N631-R633 VanDerWaalsContact C-N 3.28Å; N631-R633 PolarHBondContact O-N 3.35Å
634	M	28.8	Very low	45.4	Very low	168 Å²	168	104.9 Å²	104.9	83%	0.828	62%	0.617	S	S	*	*	S	Bend	trans	-101.1	8.9	179.3	-66.4	-170.6	75	0	0	114.1
635	Q	30.2	Very low	42.6	Very low	179 Å²	179	109.8 Å²	109.8	84%	0.836	65%	0.65	S	S	*	*			trans	-129.3	74.3	173.1	-70.3	-174.4	-11.1	0	0	111
636	A	23.9	Very low	39.7	Very low	89 Å²	89	116.5 Å²	116.5	74%	0.736	69%	0.69	S	S	*	*			trans	-99.9	133.2	152.2	0	0	0	0	0	107.3
637	P	40.5	Very low	37	Very low	129 Å²	129	115.3 Å²	115.3	84%	0.838	70%	0.696	S	S	*	*			trans	-69.1	155.8	177.3	4.9	5.6	0	0	0	111.7
638	A	30.5	Very low	35.6	Very low	177 Å²	177	119 Å²	119	100%	1.463	71%	0.712	S	S	*	*			trans	-75.1	0	169.6	0	0	0	0	0	111.9

Retrieved 638 of 638 residues in 230.6 ms (Link to these results)

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