A0A3Q0KIZ7_SCHMA Loading...

Leishmanolysin-like peptidase

AlphaFold DB , UniProt , Accession A0A3Q0KIZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 577 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	30.1	Very low	34.5	Very low	245 Å²	245	148 Å²	148	100%	1.207	74%	0.737	S	S	*	*				0	89	0	-81	172.6	153.5	0	0	108.9
2	I	31.6	Very low	34.2	Very low	166 Å²	166	145.3 Å²	145.3	85%	0.851	73%	0.726	S	S	*	*			trans	-129.5	99.4	162.2	-63.9	177	0	0	0	103.7	C4	I2-C4 VanDerWaalsContact C-N 3.32Å; I2-C4 PolarHBondContact O-N 2.94Å
3	H	32.2	Very low	34.2	Very low	201 Å²	201	141.5 Å²	141.5	93%	0.931	72%	0.72	S	S	*	*			trans	-65.3	98	172.1	-93.6	-41.5	0	0	0	107.3	S5	H3-S5 PolarHBondContact O-N 2.81Å
4	C	35.3	Very low	34.1	Very low	116 Å²	116	140.3 Å²	140.3	78%	0.784	71%	0.707	S	S	*	*			trans	-67.4	87.2	171	-144.8	0	0	0	0	108.2	I2	I2-C4 VanDerWaalsContact C-N 3.32Å; I2-C4 PolarHBondContact O-N 2.94Å
5	S	35.9	Very low	34.1	Very low	51 Å²	51	139.3 Å²	139.3	36%	0.357	70%	0.703	S	S	.	*			trans	25.9	93.8	148.8	-163.8	0	0	0	0	117.4	H3 L7 I8	H3-S5 PolarHBondContact O-N 2.81Å; S5-L7 PolarHBondContact O-N 3.38Å; S5-L7 WeakPolarHBondContact OG-CB 3.34Å; S5-L7 PolarHBondContact OG-N 3.23Å; S5-I8 PolarHBondContact O-N 3.17Å
6	R	36.5	Very low	34	Very low	234 Å²	234	136.8 Å²	136.8	88%	0.883	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-5.7	153.2	-80.7	-177	172.1	-179.1	-2.3	113
7	L	36.3	Very low	34.1	Very low	115 Å²	115	132.2 Å²	132.2	60%	0.602	68%	0.678	S	S	*	*	H	α-helix	trans	-75.5	-20.5	174.5	-82.4	101.2	0	0	0	113.4	S5 L9 L10 F11	S5-L7 PolarHBondContact O-N 3.38Å; S5-L7 WeakPolarHBondContact OG-CB 3.34Å; S5-L7 PolarHBondContact OG-N 3.23Å; L7-L9 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 3.49Å; L7-F11 PolarHBondContact O-N 3.18Å
8	I	37.4	Very low	34.3	Very low	100 Å²	100	130.9 Å²	130.9	51%	0.513	67%	0.672	S	S	.	*	H	α-helix	trans	-71.3	-32.7	-178.9	-63	173.2	0	0	0	111.5	S5 F11 L12	S5-I8 PolarHBondContact O-N 3.17Å; I8-F11 PolarHBondContact O-N 3.28Å; I8-L12 HydrophobicContact CG2-CD1 4.41Å; I8-L12 PolarHBondContact O-N 3.21Å
9	L	35.4	Very low	34.3	Very low	142 Å²	142	131.8 Å²	131.8	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-72.5	-27.3	174.7	-105.5	95.9	0	0	0	113.4	L7	L7-L9 PolarHBondContact O-N 3.32Å
10	L	36.9	Very low	34.8	Very low	117 Å²	117	128.4 Å²	128.4	61%	0.613	66%	0.658	S	S	*	*	H	α-helix	trans	-76	-30.6	174.8	-83.9	157.1	0	0	0	112.1	L7	L7-L10 PolarHBondContact O-N 3.49Å
11	F	31.5	Very low	35.2	Very low	141 Å²	141	125.3 Å²	125.3	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-72.5	-33.7	175.6	-100.7	-87.8	0	0	0	113.2	L7 I8 C13 F14	L7-F11 PolarHBondContact O-N 3.18Å; I8-F11 PolarHBondContact O-N 3.28Å; F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.44Å; F11-F14 PolarHBondContact O-N 2.87Å
12	L	31.2	Very low	36.2	Very low	116 Å²	116	122.7 Å²	122.7	61%	0.607	62%	0.622	S	S	*	*	H	α-helix	trans	-71.2	-24.8	176.6	-74.1	165.1	0	0	0	113.2	I8 F14	I8-L12 HydrophobicContact CG2-CD1 4.41Å; I8-L12 PolarHBondContact O-N 3.21Å; L12-F14 VanDerWaalsContact C-N 3.33Å
13	C	34.2	Very low	37.7	Very low	96 Å²	96	115.2 Å²	115.2	65%	0.649	59%	0.585	S	S	*	*	H	α-helix	trans	-75.3	-16.2	172.3	-97	0	0	0	0	114.3	F11	F11-C13 VanDerWaalsContact C-N 3.32Å; F11-C13 PolarHBondContact O-N 3.44Å
14	F	32.8	Very low	39.8	Very low	124 Å²	124	106.9 Å²	106.9	54%	0.544	55%	0.546	S	S	.	.	H	α-helix	trans	-92.3	-26.9	-178.8	-102.3	-89.2	0	0	0	113.7	F11 L12	F11-F14 PolarHBondContact O-N 2.87Å; L12-F14 VanDerWaalsContact C-N 3.33Å
15	I	33.5	Very low	41.9	Very low	126 Å²	126	103 Å²	103	65%	0.646	52%	0.516	S	S	*	.	H	α-helix	trans	-86.4	-21.1	-177.3	-60	177.3	0	0	0	112.3	L17	I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 2.95Å
16	C	32.8	Very low	44.1	Very low	99 Å²	99	102.9 Å²	102.9	67%	0.669	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-82.8	7.3	176.1	-74.2	0	0	0	0	115.1	L18	C16-L18 PolarHBondContact O-N 3.2Å
17	L	36.3	Very low	46.2	Very low	59 Å²	59	92 Å²	92	31%	0.309	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-77.9	2.5	175	-75.9	167.9	0	0	0	114.1	I15 F20 F471	I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 2.95Å; L17-F20 WeakPolarHBondContact O-CD2 3.25Å; L17-F20 WeakPolarHBondContact O-CE2 3.18Å; L17-F471 HydrophobicContact CD2-CD1 4.02Å; L17-F471 HydrophobicContact CD2-CE1 3.35Å; L17-F471 HydrophobicContact CD2-CZ 4.06Å
18	L	37.3	Very low	48.3	Very low	108 Å²	108	89.2 Å²	89.2	57%	0.565	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-112.5	10.7	-171.2	-74.5	170.1	0	0	0	115.8	C16 F20	C16-L18 PolarHBondContact O-N 3.2Å; L18-F20 HydrophobicContact CD2-CD2 4.38Å; L18-F20 PolarHBondContact O-N 2.91Å
19	D	34	Very low	50.4	Low	149 Å²	149	85.3 Å²	85.3	80%	0.797	43%	0.434	S	S	*	.			trans	-77	48.1	161.1	-78.6	-15.8	0	0	0	110.5	T21	D19-T21 VanDerWaalsContact C-N 3.31Å; D19-T21 PolarHBondContact O-N 2.95Å
20	F	44.2	Very low	52.5	Low	63 Å²	63	79 Å²	79	28%	0.276	40%	0.401	S	S	.	.			trans	-66.6	99	154.9	-73.5	-78.6	0	0	0	105.9	L17 L18 R22 T428 T467 F470	L17-F20 WeakPolarHBondContact O-CD2 3.25Å; L17-F20 WeakPolarHBondContact O-CE2 3.18Å; L18-F20 HydrophobicContact CD2-CD2 4.38Å; L18-F20 PolarHBondContact O-N 2.91Å; F20-R22 PolarHBondContact O-N 2.92Å; F20-T428 HydrophobicContact CD1-CG2 4.41Å; F20-T428 HydrophobicContact CE1-CG2 3.63Å; F20-T428 HydrophobicContact CE2-CG2 4.02Å; F20-T428 HydrophobicContact CZ-CG2 3.42Å; F20-T428 VanDerWaalsContact CZ-CG2 3.42Å; F20-T467 HydrophobicContact CD1-CG2 3.78Å; F20-T467 HydrophobicContact CE1-CG2 4.23Å; F20-F470 HydrophobicContact CE1-CD2 4.14Å; F20-F470 HydrophobicContact CE1-CE2 4.41Å
21	T	44.5	Very low	53.9	Low	64 Å²	64	75.7 Å²	75.7	39%	0.393	39%	0.386	S	S	.	.			trans	-55.1	114.2	169.1	60.6	0	0	0	0	107	D19 S23	D19-T21 VanDerWaalsContact C-N 3.31Å; D19-T21 PolarHBondContact O-N 2.95Å; T21-S23 PolarHBondContact O-N 3.26Å; T21-S23 PolarHBondContact O-OG 3.46Å
22	R	50.7	Low	55.5	Low	189 Å²	189	75.5 Å²	75.5	71%	0.713	39%	0.392	S	S	*	.			trans	-50.3	113.4	176.4	-72.8	-172.8	-178.2	-169.5	-1.2	107.3	F20 E24	F20-R22 PolarHBondContact O-N 2.92Å; R22-E24 PolarHBondContact O-N 2.86Å
23	S	63.4	Low	57.2	Low	10 Å²	10	71.6 Å²	71.6	7%	0.07	37%	0.371	C	S	.	.			trans	-84	21.8	-177.8	-59.6	0	0	0	0	111.5	T21 K468	T21-S23 PolarHBondContact O-N 3.26Å; T21-S23 PolarHBondContact O-OG 3.46Å; S23-K468 WeakPolarHBondContact OG-CG 3.36Å; S23-K468 PolarHBondContact OG-N 2.88Å
24	E	75.5	Confident	58.6	Low	26 Å²	26	71 Å²	71	12%	0.121	37%	0.365	C	S	.	.			trans	-105.2	119.9	-172.6	-69.5	-172.3	150.3	0	0	109.2	R22 V348 G455 A456 Q465	R22-E24 PolarHBondContact O-N 2.86Å; E24-V348 HydrophobicContact CB-CG1 3.59Å; E24-V348 HydrophobicContact CG-CG1 3.89Å; E24-G455 VanDerWaalsContact OE1-CA 3.22Å; E24-G455 WeakPolarHBondContact OE1-CA 3.35Å; E24-A456 PolarHBondContact OE1-N 2.97Å; E24-A456 PolarHBondContact OE2-N 3.01Å; E24-Q465 PolarHBondContact OE1-NE2 2.79Å
25	Y	80.3	Confident	60.5	Low	35 Å²	35	66.3 Å²	66.3	14%	0.137	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129	170.7	-63.6	-88.3	0	0	0	108.8	V184 L186 M222 V348 T349 K468	Y25-V184 CarbonylContact C-O 3.54Å; Y25-V184 WeakPolarHBondContact CA-O 3.27Å; Y25-V184 VanDerWaalsContact CB-O 3.28Å; Y25-V184 WeakPolarHBondContact CB-O 3.4Å; Y25-V184 WeakPolarHBondContact CD1-O 3.34Å; Y25-L186 HydrophobicContact CD1-CD1 4.14Å; Y25-L186 HydrophobicContact CD1-CD2 3.49Å; Y25-L186 VanDerWaalsContact CD1-CD2 3.49Å; Y25-L186 HydrophobicContact CD1-CG 3.46Å; Y25-L186 VanDerWaalsContact CD1-CG 3.46Å; Y25-L186 HydrophobicContact CD2-CD1 3.67Å; Y25-L186 HydrophobicContact CD2-CD2 4.24Å; Y25-L186 HydrophobicContact CD2-CG 3.96Å; Y25-L186 HydrophobicContact CE1-CD2 3.4Å; Y25-L186 VanDerWaalsContact CE1-CD2 3.4Å; Y25-L186 HydrophobicContact CE1-CG 3.94Å; Y25-L186 HydrophobicContact CE2-CD1 4.15Å; Y25-L186 HydrophobicContact CE2-CD2 4.17Å; Y25-L186 HydrophobicContact CE2-CG 4.39Å; Y25-L186 HydrophobicContact CG-CD1 3.65Å; Y25-L186 HydrophobicContact CG-CD2 3.91Å; Y25-L186 HydrophobicContact CG-CG 3.46Å; Y25-L186 VanDerWaalsContact CG-CG 3.46Å; Y25-M222 HydrophobicContact CD2-CE 3.6Å; Y25-M222 HydrophobicContact CE2-CE 3.39Å; Y25-M222 HydrophobicContact CE2-SD 4.46Å; Y25-V348 VanDerWaalsContact O-CA 3.24Å; Y25-V348 WeakPolarHBondContact O-CA 3.47Å; Y25-V348 WeakPolarHBondContact O-CG1 3.47Å; Y25-T349 PolarHBondContact N-O 3.24Å; Y25-T349 PolarHBondContact O-N 2.95Å; Y25-T349 VanDerWaalsContact O-N 3.12Å; Y25-K468 PolarHBondContact OH-NZ 2.87Å
26	I	81.3	Confident	62.8	Low	47 Å²	47	63.3 Å²	63.3	24%	0.241	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.3	-179.4	-59.5	177	0	0	0	107.7	V184 T185 V348	I26-V184 HydrophobicContact CB-CG2 4.33Å; I26-V184 HydrophobicContact CD1-CG2 4.24Å; I26-V184 HydrophobicContact CG1-CG2 4.36Å; I26-V184 PolarHBondContact N-O 3.27Å; I26-T185 PolarHBondContact O-OG1 3.45Å; I26-V348 HydrophobicContact CG1-CG2 4.26Å
27	C	81	Confident	65.1	Low	6 Å²	6	60.4 Å²	60.4	4%	0.041	31%	0.306	C	S	.	.			trans	-69.9	138.8	171	-179.7	0	0	0	0	110.2	H229 H233 T330 H334 G347	C27-H229 VanDerWaalsContact CB-NE2 3.31Å; C27-H229 WeakPolarHBondContact CB-NE2 3.46Å; C27-H229 PolarHBondContact SG-NE2 2.75Å; C27-H233 PolarHBondContact SG-NE2 3.32Å; C27-H233 VanDerWaalsContact SG-NE2 3.41Å; C27-T330 PolarHBondContact O-OG1 3.21Å; C27-T330 VanDerWaalsContact O-OG1 3.13Å; C27-H334 WeakPolarHBondContact CB-NE2 3.3Å; C27-H334 PolarHBondContact SG-NE2 3.36Å; C27-H334 VanDerWaalsContact SG-NE2 3.37Å; C27-G347 PolarHBondContact N-O 3.41Å
28	Q	80.2	Confident	67.1	Low	56 Å²	56	57.9 Å²	57.9	26%	0.262	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.7	169.3	-62	-172.3	-4	0	0	108.7	T185 Y188	Q28-T185 HydrophobicContact CB-CG2 4.35Å; Q28-T185 HydrophobicContact CG-CG2 4.27Å; Q28-T185 PolarHBondContact NE2-OG1 2.7Å; Q28-Y188 VanDerWaalsContact O-CA 3.27Å; Q28-Y188 WeakPolarHBondContact O-CA 3Å; Q28-Y188 WeakPolarHBondContact O-CB 3.44Å
29	L	81	Confident	69.2	Low	18 Å²	18	55.5 Å²	55.5	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	161.7	163	-72	178.5	0	0	0	111.7	I33 A189 H233 G329 S333	L29-I33 HydrophobicContact CB-CD1 4.27Å; L29-A189 WeakPolarHBondContact CD2-O 3.38Å; L29-H233 HydrophobicContact CD2-CB 3.76Å; L29-H233 VanDerWaalsContact CD2-CG 3.45Å; L29-G329 WeakPolarHBondContact CG-O 3.32Å; L29-G329 PolarHBondContact N-O 3.42Å; L29-S333 VanDerWaalsContact CD1-CB 3.49Å; L29-S333 VanDerWaalsContact CD1-OG 3.29Å; L29-S333 WeakPolarHBondContact CD1-OG 3.25Å
30	M	78.9	Confident	71.4	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.049	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-52.1	132.5	164.3	-68.2	169.2	72.1	0	0	110.3	I33 Y132 Y188 A189 G190 A205	M30-I33 HydrophobicContact CB-CD1 3.98Å; M30-I33 HydrophobicContact CB-CG1 3.65Å; M30-I33 WeakPolarHBondContact O-CG1 3.43Å; M30-Y132 HydrophobicContact CE-CD1 3.05Å; M30-Y132 HydrophobicContact CE-CD2 3.81Å; M30-Y132 HydrophobicContact CE-CE1 3.5Å; M30-Y132 VanDerWaalsContact CE-CE1 3.5Å; M30-Y132 HydrophobicContact CE-CE2 4.16Å; M30-Y132 HydrophobicContact CE-CG 3.24Å; M30-Y188 HydrophobicContact CB-CD2 4.47Å; M30-Y188 HydrophobicContact CG-CD2 3.75Å; M30-Y188 HydrophobicContact CG-CE2 4.19Å; M30-A189 PolarHBondContact N-O 3.17Å; M30-G190 PolarHBondContact SD-N 3.31Å; M30-G190 VanDerWaalsContact SD-N 3.37Å; M30-A205 HydrophobicContact CE-CB 3.91Å; M30-A205 HydrophobicContact SD-CB 3.86Å
31	P	67.4	Low	73	Confident	48 Å²	48	47.3 Å²	47.3	31%	0.312	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	142.9	177.8	27.5	-32.6	0	0	0	110.5	I33 Y132	P31-I33 VanDerWaalsContact C-N 3.34Å; P31-I33 PolarHBondContact O-N 3.03Å; P31-Y132 PolarHBondContact O-OH 2.92Å
32	N	65.6	Low	74.5	Confident	136 Å²	136	50.9 Å²	50.9	73%	0.727	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	43.8	175.1	-56.2	-40.8	0	0	0	114	T34	N32-T34 PolarHBondContact O-N 3.16Å
33	I	65.5	Low	75.7	Confident	34 Å²	34	46.6 Å²	46.6	17%	0.174	25%	0.25	C	S	.	.			trans	-54.7	108.3	174.7	-67.7	161.6	0	0	0	109.1	L29 M30 P31 M35 P191	L29-I33 HydrophobicContact CB-CD1 4.27Å; M30-I33 HydrophobicContact CB-CD1 3.98Å; M30-I33 HydrophobicContact CB-CG1 3.65Å; M30-I33 WeakPolarHBondContact O-CG1 3.43Å; P31-I33 VanDerWaalsContact C-N 3.34Å; P31-I33 PolarHBondContact O-N 3.03Å; I33-M35 HydrophobicContact CG2-CG 4.25Å; I33-P191 WeakPolarHBondContact CG2-O 3.26Å
34	T	65.1	Low	76	Confident	85 Å²	85	46.7 Å²	46.7	52%	0.521	25%	0.25	S	C	.	.			trans	-88.6	120.4	166.3	52.2	0	0	0	0	107.8	N32 N36	N32-T34 PolarHBondContact O-N 3.16Å; T34-N36 PolarHBondContact O-N 3.2Å
35	M	72.2	Confident	75.7	Confident	24 Å²	24	49.4 Å²	49.4	12%	0.118	27%	0.265	C	S	.	.			trans	-83.9	108	176.5	-66.4	-165.8	-52.6	0	0	110.5	I33 M194 S240 L244 Y271	I33-M35 HydrophobicContact CG2-CG 4.25Å; M35-M194 HydrophobicContact CB-CG 4.4Å; M35-M194 HydrophobicContact SD-CE 4.17Å; M35-S240 WeakPolarHBondContact CE-O 3.37Å; M35-L244 HydrophobicContact CE-CD1 3.38Å; M35-L244 HydrophobicContact CE-CG 4.02Å; M35-L244 HydrophobicContact SD-CD1 3.53Å; M35-L244 VanDerWaalsContact SD-CD1 3.53Å; M35-Y271 HydrophobicContact CE-CD2 3Å; M35-Y271 HydrophobicContact CE-CE2 3.15Å; M35-Y271 HydrophobicContact CE-CG 4.18Å
36	N	80.7	Confident	74.7	Confident	63 Å²	63	56.3 Å²	56.3	34%	0.337	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	164.6	168.5	-63.3	-26.1	0	0	0	110.3	T34 C192 E193 M194	T34-N36 PolarHBondContact O-N 3.2Å; N36-C192 WeakPolarHBondContact CB-O 3.33Å; N36-C192 PolarHBondContact N-O 2.9Å; N36-E193 VanDerWaalsContact CB-CD 3.41Å; N36-E193 WeakPolarHBondContact CB-OE1 3.19Å; N36-E193 WeakPolarHBondContact CB-OE2 3.38Å; N36-E193 PolarHBondContact ND2-OE1 3.06Å; N36-E193 VanDerWaalsContact ND2-OE1 3.08Å; N36-M194 WeakPolarHBondContact O-CB 3.44Å; N36-M194 WeakPolarHBondContact O-CG 3.31Å; N36-M194 PolarHBondContact O-N 3.25Å
37	F	81.7	Confident	73.6	Confident	39 Å²	39	64.9 Å²	64.9	17%	0.171	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.2	177.5	-64.9	-90.8	0	0	0	109.7	M194 L244 K262	F37-M194 CarbonylContact C-O 3.57Å; F37-M194 VanDerWaalsContact CA-O 3.26Å; F37-M194 WeakPolarHBondContact CA-O 3.39Å; F37-M194 HydrophobicContact CD1-CB 3.45Å; F37-M194 VanDerWaalsContact CD1-CB 3.45Å; F37-M194 HydrophobicContact CD1-CG 4.41Å; F37-M194 HydrophobicContact CE1-CB 3.49Å; F37-M194 VanDerWaalsContact CE1-CB 3.49Å; F37-M194 HydrophobicContact CE1-CG 4.11Å; F37-M194 HydrophobicContact CG-CB 4.26Å; F37-M194 HydrophobicContact CZ-CB 4.33Å; F37-L244 HydrophobicContact CE1-CD1 4.2Å; F37-L244 HydrophobicContact CZ-CD1 4.03Å; F37-L244 HydrophobicContact CZ-CD2 4.31Å; F37-K262 HydrophobicContact CD1-CD 4.36Å; F37-K262 HydrophobicContact CD2-CD 4.41Å; F37-K262 HydrophobicContact CE1-CD 3.79Å; F37-K262 HydrophobicContact CE2-CD 3.85Å; F37-K262 HydrophobicContact CE2-CG 4.21Å; F37-K262 HydrophobicContact CZ-CD 3.51Å; F37-K262 HydrophobicContact CZ-CG 4.29Å
38	G	79.1	Confident	72.6	Confident	5 Å²	5	70.8 Å²	70.8	5%	0.052	35%	0.352	C	S	.	.			trans	-68.3	-179.6	176.5	0	0	0	0	0	113.1	L100 M194 P196	G38-L100 CarbonylContact C-O 3.49Å; G38-L100 WeakPolarHBondContact CA-O 3.35Å; G38-M194 PolarHBondContact N-O 2.86Å; G38-P196 WeakPolarHBondContact O-CB 3.1Å; G38-P196 WeakPolarHBondContact O-CD 3.44Å; G38-P196 VanDerWaalsContact O-CG 3.22Å; G38-P196 WeakPolarHBondContact O-CG 3.44Å
39	I	81	Confident	71.6	Confident	59 Å²	59	70.5 Å²	70.5	30%	0.303	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.8	-178.7	-55.7	173.1	0	0	0	108.8	L100 E102	I39-L100 HydrophobicContact CB-CB 4.42Å; I39-L100 PolarHBondContact N-O 3.34Å; I39-L100 PolarHBondContact O-N 3.43Å; I39-E102 HydrophobicContact CD1-CB 3.68Å; I39-E102 HydrophobicContact CD1-CG 3.92Å; I39-E102 HydrophobicContact CG1-CB 4.17Å
40	L	80.3	Confident	70.8	Confident	35 Å²	35	72.8 Å²	72.8	18%	0.183	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.2	169.8	-61.3	177.5	0	0	0	109.5	P95 R97 L99 P196 T197	L40-P95 HydrophobicContact CD2-CG 4.4Å; L40-R97 HydrophobicContact CB-CB 4.4Å; L40-R97 HydrophobicContact CD2-CB 4.43Å; L40-R97 PolarHBondContact O-NH2 3.31Å; L40-L99 HydrophobicContact CD2-CD2 3.97Å; L40-P196 HydrophobicContact CD2-CG 4.01Å; L40-P196 HydrophobicContact CG-CG 3.85Å; L40-T197 HydrophobicContact CD1-CG2 4.23Å
41	G	78.2	Confident	71	Confident	5 Å²	5	73.9 Å²	73.9	5%	0.052	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-156.3	173.3	0	0	0	0	0	112.9	R97 K98	G41-R97 PolarHBondContact O-NE 2.92Å; G41-R97 PolarHBondContact O-NH2 3.49Å; G41-K98 PolarHBondContact N-O 3.45Å
42	E	75.2	Confident	72	Confident	138 Å²	138	75.1 Å²	75.1	65%	0.645	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	152.3	-178.6	-65.1	-173	159.6	0	0	113.2	R97 K98	E42-R97 WeakPolarHBondContact O-CA 3.49Å; E42-K98 PolarHBondContact O-N 2.85Å
43	P	76.5	Confident	73.4	Confident	100 Å²	100	75.2 Å²	75.2	65%	0.649	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	143.2	169	-22.1	33.7	0	0	0	112.1	N96	P43-N96 VanDerWaalsContact CA-O 3.31Å; P43-N96 WeakPolarHBondContact CA-O 3.26Å
44	I	70.5	Confident	74.9	Confident	11 Å²	11	73.7 Å²	73.7	6%	0.056	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-96.5	142.5	176.3	-59.2	169.7	0	0	0	108.4	Q48 N96 R97 K98 P165	I44-Q48 HydrophobicContact CG2-CB 3.73Å; I44-N96 PolarHBondContact N-O 2.86Å; I44-N96 PolarHBondContact O-ND2 2.86Å; I44-N96 PolarHBondContact O-OD1 2.94Å; I44-R97 VanDerWaalsContact CD1-C 3.48Å; I44-K98 HydrophobicContact CD1-CB 4.36Å; I44-K98 HydrophobicContact CD1-CG 3.66Å; I44-K98 HydrophobicContact CG1-CB 4.36Å; I44-K98 HydrophobicContact CG1-CD 4.44Å; I44-K98 HydrophobicContact CG1-CG 3.34Å; I44-P165 HydrophobicContact CD1-CG 3.69Å
45	D	67.4	Low	76.4	Confident	84 Å²	84	74.4 Å²	74.4	45%	0.449	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-69.6	137.3	166.6	-174.2	-17.7	0	0	0	108.8	R47 Q48 Y49	D45-R47 PolarHBondContact O-N 3.21Å; D45-R47 PolarHBondContact OD1-N 3.45Å; D45-R47 VanDerWaalsContact OD1-N 3.16Å; D45-Q48 HydrophobicContact CB-CG 4.35Å; D45-Q48 WeakPolarHBondContact O-CA 3.38Å; D45-Q48 WeakPolarHBondContact O-CB 3.21Å; D45-Q48 PolarHBondContact O-N 3.25Å; D45-Y49 PolarHBondContact O-N 2.8Å
46	K	59.8	Low	77.6	Confident	179 Å²	179	73.8 Å²	73.8	78%	0.778	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-49.1	-30.4	175.3	-71.9	-175.1	177.9	-179.9	0	113	Q48 Y49	K46-Q48 VanDerWaalsContact C-N 3.3Å; K46-Q48 PolarHBondContact O-N 2.87Å; K46-Y49 VanDerWaalsContact O-CB 3.26Å; K46-Y49 WeakPolarHBondContact O-CB 3.48Å; K46-Y49 PolarHBondContact O-N 2.73Å
47	R	58.4	Low	78.4	Confident	228 Å²	228	72.2 Å²	72.2	86%	0.86	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-67.6	-26.5	175.9	-65.1	179.6	-179.6	178.6	1.8	114	D45	D45-R47 PolarHBondContact O-N 3.21Å; D45-R47 PolarHBondContact OD1-N 3.45Å; D45-R47 VanDerWaalsContact OD1-N 3.16Å
48	Q	59.1	Low	79.2	Confident	129 Å²	129	72.6 Å²	72.6	60%	0.603	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-96.4	-1	-179.3	-62.8	178.1	0.3	0	0	112.8	I44 D45 K46 G50	I44-Q48 HydrophobicContact CG2-CB 3.73Å; D45-Q48 HydrophobicContact CB-CG 4.35Å; D45-Q48 WeakPolarHBondContact O-CA 3.38Å; D45-Q48 WeakPolarHBondContact O-CB 3.21Å; D45-Q48 PolarHBondContact O-N 3.25Å; K46-Q48 VanDerWaalsContact C-N 3.3Å; K46-Q48 PolarHBondContact O-N 2.87Å; Q48-G50 PolarHBondContact O-N 2.86Å; Q48-G50 VanDerWaalsContact O-N 3.1Å
49	Y	60.1	Low	80.1	Confident	51 Å²	51	74.3 Å²	74.3	20%	0.2	38%	0.375	C	S	.	.			trans	-65.5	-15.6	-169.8	-168.4	-101.4	0	0	0	114.2	D45 K46 G51 P94 N96 P165	D45-Y49 PolarHBondContact O-N 2.8Å; K46-Y49 VanDerWaalsContact O-CB 3.26Å; K46-Y49 WeakPolarHBondContact O-CB 3.48Å; K46-Y49 PolarHBondContact O-N 2.73Å; Y49-G51 WeakPolarHBondContact CE1-O 3.28Å; Y49-G51 PolarHBondContact O-N 3.4Å; Y49-P94 HydrophobicContact CE1-CB 4.39Å; Y49-P94 HydrophobicContact CE1-CG 3.99Å; Y49-P94 HydrophobicContact CE2-CB 4.39Å; Y49-P94 VanDerWaalsContact OH-C 3.25Å; Y49-P94 WeakPolarHBondContact OH-CA 3.07Å; Y49-P94 WeakPolarHBondContact OH-CB 3.38Å; Y49-P94 WeakPolarHBondContact OH-CD 3.44Å; Y49-P94 WeakPolarHBondContact OH-CG 3.24Å; Y49-P94 PolarHBondContact OH-O 2.82Å; Y49-N96 HydrophobicContact CE2-CB 4.48Å; Y49-P165 HydrophobicContact CE2-CG 4.31Å
50	G	64.9	Low	81	Confident	66 Å²	66	73 Å²	73	68%	0.68	37%	0.366	S	S	*	.			trans	68	-8.5	175.3	0	0	0	0	0	115.6	Q48	Q48-G50 PolarHBondContact O-N 2.86Å; Q48-G50 VanDerWaalsContact O-N 3.1Å
51	G	81.8	Confident	81.7	Confident	33 Å²	33	72.8 Å²	72.8	34%	0.34	37%	0.368	S	S	.	.			trans	95.9	-163.8	-176.7	0	0	0	0	0	112.2	Y49	Y49-G51 WeakPolarHBondContact CE1-O 3.28Å; Y49-G51 PolarHBondContact O-N 3.4Å
52	N	89.7	Confident	82.6	Confident	74 Å²	74	81.6 Å²	81.6	40%	0.396	40%	0.4	S	S	.	.	S	Bend	trans	-108.6	-11.9	177	65.1	-22.6	0	0	0	113.3	L54 S90 V91 P94	N52-L54 PolarHBondContact O-N 2.96Å; N52-S90 CarbonylContact O-C 3.51Å; N52-S90 VanDerWaalsContact O-CA 3.29Å; N52-S90 WeakPolarHBondContact O-CA 3.44Å; N52-S90 WeakPolarHBondContact O-CB 3.48Å; N52-V91 PolarHBondContact O-N 3.17Å; N52-P94 HydrophobicContact CB-CG 4.06Å
53	R	94.5	Very high	83.6	Confident	137 Å²	137	78.8 Å²	78.8	52%	0.517	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-61.6	132.2	-178.5	-170.4	173.3	-179.2	-176.9	-6	110.7	K55 E86 N166	R53-K55 PolarHBondContact O-N 3.31Å; R53-E86 WeakPolarHBondContact CG-O 3.2Å; R53-E86 PolarHBondContact NE-O 2.86Å; R53-E86 PolarHBondContact NH2-O 3.06Å; R53-N166 WeakPolarHBondContact O-CB 3.36Å; R53-N166 PolarHBondContact O-ND2 2.77Å
54	L	96.6	Very high	84.6	Confident	3 Å²	3	74 Å²	74	2%	0.016	36%	0.358	C	S	.	.			trans	-56.9	135.8	176.5	171.1	61.6	0	0	0	109.6	N52 F56 W85 E86 L89 M235 W369	N52-L54 PolarHBondContact O-N 2.96Å; L54-F56 HydrophobicContact CD2-CE2 3.7Å; L54-F56 HydrophobicContact CD2-CZ 3.8Å; L54-F56 HydrophobicContact CG-CD2 4.49Å; L54-F56 HydrophobicContact CG-CE2 4.12Å; L54-F56 HydrophobicContact CG-CZ 4.43Å; L54-W85 HydrophobicContact CD2-CB 4.38Å; L54-E86 WeakPolarHBondContact O-CG 3.26Å; L54-L89 HydrophobicContact CB-CB 4.34Å; L54-L89 WeakPolarHBondContact CB-O 3.45Å; L54-L89 HydrophobicContact CD2-CB 4.06Å; L54-L89 HydrophobicContact CD2-CD1 4.28Å; L54-L89 PolarHBondContact N-O 3.01Å; L54-M235 HydrophobicContact CD2-SD 3.85Å; L54-W369 HydrophobicContact CB-CZ3 4.28Å; L54-W369 HydrophobicContact CD1-CH2 3.95Å; L54-W369 HydrophobicContact CD1-CZ3 3.83Å; L54-W369 HydrophobicContact CD2-CH2 4.4Å; L54-W369 HydrophobicContact CD2-CZ3 4.17Å; L54-W369 HydrophobicContact CG-CZ3 4.31Å
55	K	96.6	Very high	85.9	Confident	100 Å²	100	78.6 Å²	78.6	44%	0.435	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.6	174.7	-179.8	-177.4	168.9	-151.2	0	109.9	R53 E86 N166 E167 Y168	R53-K55 PolarHBondContact O-N 3.31Å; K55-E86 WeakPolarHBondContact CA-OE1 3.42Å; K55-N166 PolarHBondContact N-O 3.14Å; K55-N166 VanDerWaalsContact N-O 3.11Å; K55-E167 HydrophobicContact CB-CG 4.22Å; K55-E167 HydrophobicContact CD-CG 4.12Å; K55-E167 HydrophobicContact CG-CG 4.41Å; K55-E167 IonicContact NZ-OE1 3.83Å; K55-E167 PolarHBondContact NZ-OE1 2.9Å; K55-E167 CarbonylContact O-C 3.52Å; K55-E167 VanDerWaalsContact O-CA 3.26Å; K55-E167 WeakPolarHBondContact O-CA 3.15Å; K55-Y168 PolarHBondContact O-N 3.18Å
56	F	98.3	Very high	87.3	Confident	10 Å²	10	79.8 Å²	79.8	4%	0.044	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	144.1	176.2	-72.4	-80.5	0	0	0	111.9	L54 P58 L82 W85 E86 Y168 L170 L231 M235	L54-F56 HydrophobicContact CD2-CE2 3.7Å; L54-F56 HydrophobicContact CD2-CZ 3.8Å; L54-F56 HydrophobicContact CG-CD2 4.49Å; L54-F56 HydrophobicContact CG-CE2 4.12Å; L54-F56 HydrophobicContact CG-CZ 4.43Å; F56-P58 WeakPolarHBondContact O-CD 3.43Å; F56-L82 HydrophobicContact CB-CD1 4.26Å; F56-L82 HydrophobicContact CB-CD2 3.96Å; F56-L82 HydrophobicContact CB-CG 4.49Å; F56-L82 HydrophobicContact CD1-CD2 3.95Å; F56-L82 HydrophobicContact CD2-CB 3.98Å; F56-L82 HydrophobicContact CD2-CD2 3.68Å; F56-L82 HydrophobicContact CD2-CG 4.36Å; F56-L82 HydrophobicContact CE1-CD2 4.33Å; F56-L82 HydrophobicContact CE2-CD2 4.1Å; F56-L82 HydrophobicContact CG-CD2 3.6Å; F56-L82 HydrophobicContact CG-CG 4.47Å; F56-L82 HydrophobicContact CZ-CD2 4.4Å; F56-W85 HydrophobicContact CE2-CB 3.76Å; F56-W85 HydrophobicContact CZ-CB 4.15Å; F56-E86 HydrophobicContact CD2-CG 3.68Å; F56-E86 HydrophobicContact CE2-CG 4.16Å; F56-E86 PolarHBondContact N-OE1 3.09Å; F56-Y168 CarbonylContact C-O 3.59Å; F56-Y168 WeakPolarHBondContact CA-O 3.49Å; F56-Y168 AromaticContact CD1-CD1 3.56Å; F56-Y168 HydrophobicContact CD1-CD1 3.56Å; F56-Y168 HydrophobicContact CD1-CE1 4.38Å; F56-Y168 HydrophobicContact CD1-CG 4.01Å; F56-Y168 AromaticContact CE1-CD1 3.52Å; F56-Y168 HydrophobicContact CE1-CD1 3.52Å; F56-Y168 HydrophobicContact CE1-CE1 4.06Å; F56-Y168 AromaticContact CE1-CG 3.85Å; F56-Y168 HydrophobicContact CE1-CG 3.85Å; F56-L170 HydrophobicContact CD1-CB 4.2Å; F56-L170 HydrophobicContact CD1-CD2 4.38Å; F56-L231 HydrophobicContact CE1-CD2 3.98Å; F56-L231 HydrophobicContact CZ-CD2 4.08Å; F56-M235 HydrophobicContact CZ-SD 3.87Å
57	I	97.8	Very high	89.1	Confident	30 Å²	30	73 Å²	73	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	92.2	165.9	-57.8	176.1	0	0	0	106.6	F163 E167 Y168 V169 L170	I57-F163 HydrophobicContact CD1-CB 4.38Å; I57-E167 HydrophobicContact CD1-CB 4.01Å; I57-E167 HydrophobicContact CD1-CG 4.16Å; I57-E167 HydrophobicContact CG1-CB 4.45Å; I57-Y168 PolarHBondContact N-O 3.29Å; I57-V169 HydrophobicContact CB-CG2 4.24Å; I57-V169 HydrophobicContact CD1-CG2 4.22Å; I57-L170 PolarHBondContact O-N 3.41Å
58	P	98.3	Very high	91	Very high	47 Å²	47	68 Å²	68	31%	0.305	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126	179.6	30.4	-33.4	0	0	0	110.8	F56 Y60 L82 L170 I172	F56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-Y60 HydrophobicContact CB-CE2 3.88Å; P58-Y60 HydrophobicContact CG-CE2 4.17Å; P58-L82 HydrophobicContact CB-CD1 4.16Å; P58-L82 HydrophobicContact CG-CD1 4.17Å; P58-L170 CarbonylContact C-O 3.58Å; P58-L170 WeakPolarHBondContact CA-O 3.46Å; P58-I172 HydrophobicContact CB-CD1 3.79Å
59	I	98.2	Very high	92.8	Very high	41 Å²	41	64.3 Å²	64.3	21%	0.21	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.5	173.2	-59.8	174.8	0	0	0	107.9	P137 Y140 V169 L170 F171 I172	I59-P137 HydrophobicContact CD1-CG 3.65Å; I59-Y140 HydrophobicContact CD1-CE2 4.2Å; I59-V169 HydrophobicContact CD1-CG1 3.46Å; I59-V169 VanDerWaalsContact CD1-CG1 3.46Å; I59-V169 HydrophobicContact CG1-CG1 4.17Å; I59-L170 PolarHBondContact N-O 3.33Å; I59-F171 HydrophobicContact CB-CD1 3.98Å; I59-F171 HydrophobicContact CB-CE1 4.21Å; I59-F171 HydrophobicContact CD1-CD1 4.31Å; I59-F171 HydrophobicContact CD1-CE1 3.71Å; I59-F171 HydrophobicContact CD1-CZ 4.13Å; I59-F171 HydrophobicContact CG2-CD1 4.04Å; I59-F171 HydrophobicContact CG2-CE1 4.15Å; I59-F171 WeakPolarHBondContact O-CA 3.49Å; I59-I172 PolarHBondContact O-N 3.22Å
60	Y	98	Very high	94.6	Very high	31 Å²	31	63.5 Å²	63.5	12%	0.122	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.6	-178.7	-61.4	-85.6	0	0	0	110.5	P58 M64 F70 K74 V78 I172	P58-Y60 HydrophobicContact CB-CE2 3.88Å; P58-Y60 HydrophobicContact CG-CE2 4.17Å; Y60-M64 HydrophobicContact CD1-CG 3.86Å; Y60-F70 AromaticContact CD1-CE2 3.55Å; Y60-F70 HydrophobicContact CD1-CE2 3.55Å; Y60-F70 HydrophobicContact CD1-CZ 4.23Å; Y60-F70 HydrophobicContact CD2-CE2 4.38Å; Y60-F70 HydrophobicContact CD2-CZ 4.27Å; Y60-F70 HydrophobicContact CE1-CE2 4.02Å; Y60-F70 AromaticContact CG-CE2 3.73Å; Y60-F70 HydrophobicContact CG-CE2 3.73Å; Y60-F70 AromaticContact CG-CZ 3.97Å; Y60-F70 HydrophobicContact CG-CZ 3.97Å; Y60-K74 HydrophobicContact CE1-CG 4.44Å; Y60-K74 HydrophobicContact CE2-CD 4.04Å; Y60-K74 HydrophobicContact CE2-CG 4.42Å; Y60-V78 HydrophobicContact CE1-CG1 4.41Å; Y60-V78 WeakPolarHBondContact OH-CG1 2.96Å; Y60-I172 WeakPolarHBondContact CA-O 3.43Å; Y60-I172 HydrophobicContact CD1-CB 3.78Å; Y60-I172 HydrophobicContact CD1-CD1 4.28Å; Y60-I172 HydrophobicContact CD1-CG2 3.88Å; Y60-I172 HydrophobicContact CE1-CB 3.99Å; Y60-I172 HydrophobicContact CE1-CD1 3.65Å; Y60-I172 HydrophobicContact CE1-CG1 4.36Å; Y60-I172 HydrophobicContact CE1-CG2 3.92Å
61	S	96.7	Very high	96.2	Very high	31 Å²	31	64.8 Å²	64.8	22%	0.217	33%	0.332	C	S	.	.			trans	-67.9	156.4	170.7	73.1	0	0	0	0	111	N63 M64 E65 I172 S173	S61-N63 VanDerWaalsContact C-N 3.26Å; S61-N63 PolarHBondContact O-N 3.43Å; S61-M64 WeakPolarHBondContact O-CB 3.47Å; S61-M64 PolarHBondContact O-N 3.38Å; S61-M64 VanDerWaalsContact O-N 3.08Å; S61-M64 WeakPolarHBondContact OG-CB 3.35Å; S61-M64 PolarHBondContact OG-N 3.02Å; S61-E65 PolarHBondContact O-N 3.21Å; S61-I172 PolarHBondContact N-O 3.41Å; S61-S173 WeakPolarHBondContact OG-CA 3.45Å
62	R	96.5	Very high	97	Very high	190 Å²	190	68 Å²	68	72%	0.717	33%	0.334	S	S	*	.	H	α-helix	trans	-55.9	-40	174.5	-172.6	-179.8	177.5	173.5	1.5	112.8	M64 E65 M66	R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 2.94Å; R62-E65 PolarHBondContact O-N 3.2Å; R62-M66 HydrophobicContact CG-CE 4.02Å; R62-M66 HydrophobicContact CG-CG 4.3Å; R62-M66 HydrophobicContact CG-SD 4.03Å; R62-M66 WeakPolarHBondContact O-CB 3.27Å; R62-M66 VanDerWaalsContact O-CG 3.25Å; R62-M66 WeakPolarHBondContact O-CG 3.17Å; R62-M66 PolarHBondContact O-N 2.82Å
63	N	96.1	Very high	97.4	Very high	79 Å²	79	64.4 Å²	64.4	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-37.6	178.9	-71.9	-17.6	0	0	0	112	S61 M66 H67 D175	S61-N63 VanDerWaalsContact C-N 3.26Å; S61-N63 PolarHBondContact O-N 3.43Å; N63-M66 VanDerWaalsContact OD1-CE 3.25Å; N63-M66 WeakPolarHBondContact OD1-CE 3.5Å; N63-H67 PolarHBondContact O-N 3.33Å; N63-D175 PolarHBondContact ND2-OD1 3.34Å
64	M	97	Very high	97.6	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-44.2	173.2	-177.5	55.5	179.5	0	0	111.6	Y60 S61 R62 M66 H67 F70 F73 I172 M213	Y60-M64 HydrophobicContact CD1-CG 3.86Å; S61-M64 WeakPolarHBondContact O-CB 3.47Å; S61-M64 PolarHBondContact O-N 3.38Å; S61-M64 VanDerWaalsContact O-N 3.08Å; S61-M64 WeakPolarHBondContact OG-CB 3.35Å; S61-M64 PolarHBondContact OG-N 3.02Å; R62-M64 VanDerWaalsContact C-N 3.31Å; R62-M64 PolarHBondContact O-N 2.94Å; M64-M66 VanDerWaalsContact C-N 3.33Å; M64-M66 PolarHBondContact O-N 3.26Å; M64-H67 WeakPolarHBondContact O-CB 3.26Å; M64-H67 PolarHBondContact O-N 2.77Å; M64-F70 HydrophobicContact CE-CD2 4.1Å; M64-F70 HydrophobicContact CG-CD2 3.96Å; M64-F70 HydrophobicContact CG-CE2 4.08Å; M64-F70 WeakPolarHBondContact O-CB 3.37Å; M64-F70 VanDerWaalsContact O-CD2 3.29Å; M64-F70 WeakPolarHBondContact O-CD2 3.39Å; M64-F70 WeakPolarHBondContact O-CG 3.18Å; M64-F70 HydrophobicContact SD-CD2 4.43Å; M64-F73 HydrophobicContact CE-CD1 3.32Å; M64-F73 HydrophobicContact CE-CE1 3.75Å; M64-F73 HydrophobicContact CE-CG 4.24Å; M64-I172 HydrophobicContact CE-CG2 4.32Å; M64-I172 HydrophobicContact CG-CG2 4.31Å; M64-M213 HydrophobicContact CE-CE 3.68Å; M64-M213 HydrophobicContact SD-CE 3.73Å; M64-M213 HydrophobicContact SD-SD 4.18Å
65	E	97.9	Very high	97.7	Very high	108 Å²	108	65.9 Å²	65.9	51%	0.505	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-32.5	178.5	-66.6	-176.7	142.4	0	0	113.4	S61 R62 H67 F70	S61-E65 PolarHBondContact O-N 3.21Å; R62-E65 PolarHBondContact O-N 3.2Å; E65-H67 VanDerWaalsContact C-N 3.28Å; E65-F70 HydrophobicContact CB-CD1 4.44Å; E65-F70 HydrophobicContact CB-CE1 4.29Å; E65-F70 HydrophobicContact CB-CZ 4.45Å; E65-F70 HydrophobicContact CG-CE1 4Å; E65-F70 HydrophobicContact CG-CE2 4.19Å; E65-F70 HydrophobicContact CG-CZ 3.77Å
66	M	97.5	Very high	97.8	Very high	109 Å²	109	63.1 Å²	63.1	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-77.5	-11.8	176.4	-69.5	-175.3	-50.2	0	0	113.3	R62 N63 M64	R62-M66 HydrophobicContact CG-CE 4.02Å; R62-M66 HydrophobicContact CG-CG 4.3Å; R62-M66 HydrophobicContact CG-SD 4.03Å; R62-M66 WeakPolarHBondContact O-CB 3.27Å; R62-M66 VanDerWaalsContact O-CG 3.25Å; R62-M66 WeakPolarHBondContact O-CG 3.17Å; R62-M66 PolarHBondContact O-N 2.82Å; N63-M66 VanDerWaalsContact OD1-CE 3.25Å; N63-M66 WeakPolarHBondContact OD1-CE 3.5Å; M64-M66 VanDerWaalsContact C-N 3.33Å; M64-M66 PolarHBondContact O-N 3.26Å
67	H	97.5	Very high	97.7	Very high	36 Å²	36	62.7 Å²	62.7	17%	0.167	32%	0.319	C	S	.	.	S	Bend	trans	-66.7	132.6	-179.8	-167.5	-89.9	0	0	0	110.5	N63 M64 E65 L69 F70 P210 M213	N63-H67 PolarHBondContact O-N 3.33Å; M64-H67 WeakPolarHBondContact O-CB 3.26Å; M64-H67 PolarHBondContact O-N 2.77Å; E65-H67 VanDerWaalsContact C-N 3.28Å; H67-L69 PolarHBondContact ND1-N 2.96Å; H67-L69 PolarHBondContact O-N 2.89Å; H67-F70 WeakPolarHBondContact O-CB 3.19Å; H67-F70 PolarHBondContact O-N 3.4Å; H67-P210 PolarHBondContact NE2-O 3.07Å; H67-M213 HydrophobicContact CB-SD 4.47Å
68	P	97.6	Very high	97.8	Very high	124 Å²	124	61.5 Å²	61.5	81%	0.805	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.3	-176.3	-28.3	35.4	0	0	0	114.8
69	L	97.8	Very high	97.8	Very high	51 Å²	51	61.4 Å²	61.4	27%	0.267	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.4	179.3	-53.3	-176.2	0	0	0	114	H67 S71 R72 F73 M213 I215	H67-L69 PolarHBondContact ND1-N 2.96Å; H67-L69 PolarHBondContact O-N 2.89Å; L69-S71 PolarHBondContact O-N 2.82Å; L69-R72 PolarHBondContact O-N 3.3Å; L69-F73 VanDerWaalsContact O-CB 3.27Å; L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.43Å; L69-M213 HydrophobicContact CD1-CB 4.37Å; L69-M213 VanDerWaalsContact CD1-O 3.32Å; L69-M213 WeakPolarHBondContact CD1-O 3.28Å; L69-I215 HydrophobicContact CB-CD1 4.46Å; L69-I215 HydrophobicContact CB-CG2 4.42Å; L69-I215 HydrophobicContact CD1-CG1 4.36Å; L69-I215 HydrophobicContact CD2-CD1 3.78Å; L69-I215 HydrophobicContact CD2-CG1 4.24Å; L69-I215 HydrophobicContact CG-CD1 4.5Å
70	F	98.2	Very high	97.8	Very high	34 Å²	34	62.5 Å²	62.5	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-48.9	-53.1	-168	172.8	-118.5	0	0	0	114	Y60 M64 E65 H67 R72 F73 K74	Y60-F70 AromaticContact CD1-CE2 3.55Å; Y60-F70 HydrophobicContact CD1-CE2 3.55Å; Y60-F70 HydrophobicContact CD1-CZ 4.23Å; Y60-F70 HydrophobicContact CD2-CE2 4.38Å; Y60-F70 HydrophobicContact CD2-CZ 4.27Å; Y60-F70 HydrophobicContact CE1-CE2 4.02Å; Y60-F70 AromaticContact CG-CE2 3.73Å; Y60-F70 HydrophobicContact CG-CE2 3.73Å; Y60-F70 AromaticContact CG-CZ 3.97Å; Y60-F70 HydrophobicContact CG-CZ 3.97Å; M64-F70 HydrophobicContact CE-CD2 4.1Å; M64-F70 HydrophobicContact CG-CD2 3.96Å; M64-F70 HydrophobicContact CG-CE2 4.08Å; M64-F70 WeakPolarHBondContact O-CB 3.37Å; M64-F70 VanDerWaalsContact O-CD2 3.29Å; M64-F70 WeakPolarHBondContact O-CD2 3.39Å; M64-F70 WeakPolarHBondContact O-CG 3.18Å; M64-F70 HydrophobicContact SD-CD2 4.43Å; E65-F70 HydrophobicContact CB-CD1 4.44Å; E65-F70 HydrophobicContact CB-CE1 4.29Å; E65-F70 HydrophobicContact CB-CZ 4.45Å; E65-F70 HydrophobicContact CG-CE1 4Å; E65-F70 HydrophobicContact CG-CE2 4.19Å; E65-F70 HydrophobicContact CG-CZ 3.77Å; H67-F70 WeakPolarHBondContact O-CB 3.19Å; H67-F70 PolarHBondContact O-N 3.4Å; F70-R72 PolarHBondContact O-N 3.03Å; F70-F73 PolarHBondContact O-N 3.3Å; F70-K74 HydrophobicContact CE2-CB 4.34Å; F70-K74 HydrophobicContact CE2-CD 4.32Å; F70-K74 HydrophobicContact CZ-CD 3.94Å; F70-K74 WeakPolarHBondContact O-CB 3.31Å; F70-K74 PolarHBondContact O-N 2.81Å
71	S	98	Very high	97.8	Very high	93 Å²	93	61 Å²	61	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-58.3	-45.7	-174.5	-175.5	0	0	0	0	112.3	L69 T75	L69-S71 PolarHBondContact O-N 2.82Å; S71-T75 PolarHBondContact O-OG1 3.1Å
72	R	98.2	Very high	97.9	Very high	99 Å²	99	60.2 Å²	60.2	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-74.3	-43.1	177.1	-71.4	-174.4	64.2	-154.5	-9.9	111.7	L69 F70 K74 T75 E76 I215 E216	L69-R72 PolarHBondContact O-N 3.3Å; F70-R72 PolarHBondContact O-N 3.03Å; R72-K74 VanDerWaalsContact C-N 3.31Å; R72-K74 PolarHBondContact O-N 2.78Å; R72-T75 PolarHBondContact O-N 3.46Å; R72-T75 PolarHBondContact O-OG1 2.78Å; R72-T75 VanDerWaalsContact O-OG1 3.13Å; R72-E76 WeakPolarHBondContact CB-OE1 3.3Å; R72-E76 IonicContact CZ-OE1 3.5Å; R72-E76 IonicContact NE-OE1 3.29Å; R72-E76 PolarHBondContact NE-OE1 3.3Å; R72-E76 IonicContact NH2-OE1 3.56Å; R72-E76 PolarHBondContact NH2-OE1 2.8Å; R72-E76 IonicContact NH2-OE2 2.63Å; R72-E76 PolarHBondContact NH2-OE2 3.01Å; R72-E76 WeakPolarHBondContact O-CB 3.39Å; R72-E76 WeakPolarHBondContact O-CG 3.5Å; R72-E76 PolarHBondContact O-N 2.82Å; R72-I215 HydrophobicContact CB-CD1 3.69Å; R72-I215 HydrophobicContact CB-CG2 4.27Å; R72-I215 HydrophobicContact CG-CD1 4.19Å; R72-E216 IonicContact CZ-OE1 3.48Å; R72-E216 IonicContact NH1-OE1 2.87Å; R72-E216 PolarHBondContact NH1-OE1 3.48Å; R72-E216 IonicContact NH2-OE1 2.8Å; R72-E216 PolarHBondContact NH2-OE1 3.06Å
73	F	98.4	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-39.9	-179.5	-169	-87.1	0	0	0	112.2	M64 L69 F70 T75 V77 V78 F208 M213 I215 L223	M64-F73 HydrophobicContact CE-CD1 3.32Å; M64-F73 HydrophobicContact CE-CE1 3.75Å; M64-F73 HydrophobicContact CE-CG 4.24Å; L69-F73 VanDerWaalsContact O-CB 3.27Å; L69-F73 WeakPolarHBondContact O-CB 3.43Å; L69-F73 PolarHBondContact O-N 3.43Å; F70-F73 PolarHBondContact O-N 3.3Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 2.87Å; F73-V77 HydrophobicContact CD1-CB 4.36Å; F73-V77 HydrophobicContact CD2-CB 4.15Å; F73-V77 HydrophobicContact CD2-CG2 3.89Å; F73-V77 HydrophobicContact CE1-CB 4.28Å; F73-V77 HydrophobicContact CE1-CG1 4.22Å; F73-V77 HydrophobicContact CE2-CB 4.04Å; F73-V77 HydrophobicContact CE2-CG1 4.01Å; F73-V77 HydrophobicContact CE2-CG2 3.94Å; F73-V77 HydrophobicContact CG-CB 4.32Å; F73-V77 HydrophobicContact CG-CG2 4.41Å; F73-V77 HydrophobicContact CZ-CB 4.12Å; F73-V77 HydrophobicContact CZ-CG1 3.8Å; F73-V77 WeakPolarHBondContact O-CB 3.39Å; F73-V77 PolarHBondContact O-N 3.04Å; F73-V78 HydrophobicContact CD1-CG2 3.73Å; F73-V78 HydrophobicContact CE1-CG2 3.58Å; F73-V78 PolarHBondContact O-N 2.76Å; F73-F208 HydrophobicContact CE1-CD1 4.15Å; F73-F208 AromaticContact CE1-CD2 3.81Å; F73-F208 HydrophobicContact CE1-CD2 3.81Å; F73-F208 HydrophobicContact CE1-CE1 4.17Å; F73-F208 AromaticContact CE1-CE2 3.83Å; F73-F208 HydrophobicContact CE1-CE2 3.83Å; F73-F208 AromaticContact CE1-CG 3.96Å; F73-F208 HydrophobicContact CE1-CG 3.96Å; F73-F208 AromaticContact CE1-CZ 3.99Å; F73-F208 HydrophobicContact CE1-CZ 3.99Å; F73-F208 HydrophobicContact CZ-CB 4.44Å; F73-F208 AromaticContact CZ-CD1 3.64Å; F73-F208 HydrophobicContact CZ-CD1 3.64Å; F73-F208 HydrophobicContact CZ-CD2 4.14Å; F73-F208 AromaticContact CZ-CE1 3.78Å; F73-F208 HydrophobicContact CZ-CE1 3.78Å; F73-F208 HydrophobicContact CZ-CE2 4.26Å; F73-F208 AromaticContact CZ-CG 3.81Å; F73-F208 HydrophobicContact CZ-CG 3.81Å; F73-F208 HydrophobicContact CZ-CZ 4.07Å; F73-M213 HydrophobicContact CB-CE 3.95Å; F73-M213 HydrophobicContact CD1-CE 3.67Å; F73-M213 HydrophobicContact CD2-CB 4.46Å; F73-M213 HydrophobicContact CD2-CE 3.71Å; F73-M213 HydrophobicContact CE1-CE 4.01Å; F73-M213 HydrophobicContact CE2-CB 4.34Å; F73-M213 HydrophobicContact CE2-CE 4.07Å; F73-M213 HydrophobicContact CE2-CG 4.29Å; F73-M213 HydrophobicContact CG-CE 3.48Å; F73-M213 VanDerWaalsContact CG-CE 3.48Å; F73-M213 HydrophobicContact CZ-CE 4.2Å; F73-I215 HydrophobicContact CB-CG2 4.13Å; F73-I215 HydrophobicContact CD2-CG2 4.12Å; F73-L223 HydrophobicContact CE2-CD1 4.17Å
74	K	98.4	Very high	98.2	Very high	85 Å²	85	51.4 Å²	51.4	37%	0.37	29%	0.285	S	S	.	.	I	π-helix	trans	-55.8	-45.6	174.6	170.9	172.1	177.9	-178.9	0	112.1	Y60 F70 R72 A79	Y60-K74 HydrophobicContact CE1-CG 4.44Å; Y60-K74 HydrophobicContact CE2-CD 4.04Å; Y60-K74 HydrophobicContact CE2-CG 4.42Å; F70-K74 HydrophobicContact CE2-CB 4.34Å; F70-K74 HydrophobicContact CE2-CD 4.32Å; F70-K74 HydrophobicContact CZ-CD 3.94Å; F70-K74 WeakPolarHBondContact O-CB 3.31Å; F70-K74 PolarHBondContact O-N 2.81Å; R72-K74 VanDerWaalsContact C-N 3.31Å; R72-K74 PolarHBondContact O-N 2.78Å; K74-A79 WeakPolarHBondContact O-CB 3.49Å; K74-A79 PolarHBondContact O-N 3.27Å
75	T	98.3	Very high	98.2	Very high	85 Å²	85	51.4 Å²	51.4	52%	0.521	29%	0.285	S	S	.	.	I	π-helix	trans	-88.8	-36.4	-174.2	53.2	0	0	0	0	113	S71 R72 F73	S71-T75 PolarHBondContact O-OG1 3.1Å; R72-T75 PolarHBondContact O-N 3.46Å; R72-T75 PolarHBondContact O-OG1 2.78Å; R72-T75 VanDerWaalsContact O-OG1 3.13Å; F73-T75 VanDerWaalsContact C-N 3.33Å; F73-T75 PolarHBondContact O-N 2.87Å
76	E	98.2	Very high	98.3	Very high	43 Å²	43	48.7 Å²	48.7	20%	0.201	27%	0.272	C	S	.	.	I	π-helix	trans	-93.3	-19.7	-171.5	-62.1	-174.4	-133.5	0	0	113.9	R72 V80 K220	R72-E76 WeakPolarHBondContact CB-OE1 3.3Å; R72-E76 IonicContact CZ-OE1 3.5Å; R72-E76 IonicContact NE-OE1 3.29Å; R72-E76 PolarHBondContact NE-OE1 3.3Å; R72-E76 IonicContact NH2-OE1 3.56Å; R72-E76 PolarHBondContact NH2-OE1 2.8Å; R72-E76 IonicContact NH2-OE2 2.63Å; R72-E76 PolarHBondContact NH2-OE2 3.01Å; R72-E76 WeakPolarHBondContact O-CB 3.39Å; R72-E76 WeakPolarHBondContact O-CG 3.5Å; R72-E76 PolarHBondContact O-N 2.82Å; E76-V80 WeakPolarHBondContact O-CG2 3.42Å; E76-K220 IonicContact OE2-NZ 3.88Å; E76-K220 PolarHBondContact OE2-NZ 3.21Å
77	V	98.3	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-118.9	-62.4	179.7	-179.5	0	0	0	0	110.7	F73 V80 A81 L223 I224 A227	F73-V77 HydrophobicContact CD1-CB 4.36Å; F73-V77 HydrophobicContact CD2-CB 4.15Å; F73-V77 HydrophobicContact CD2-CG2 3.89Å; F73-V77 HydrophobicContact CE1-CB 4.28Å; F73-V77 HydrophobicContact CE1-CG1 4.22Å; F73-V77 HydrophobicContact CE2-CB 4.04Å; F73-V77 HydrophobicContact CE2-CG1 4.01Å; F73-V77 HydrophobicContact CE2-CG2 3.94Å; F73-V77 HydrophobicContact CG-CB 4.32Å; F73-V77 HydrophobicContact CG-CG2 4.41Å; F73-V77 HydrophobicContact CZ-CB 4.12Å; F73-V77 HydrophobicContact CZ-CG1 3.8Å; F73-V77 WeakPolarHBondContact O-CB 3.39Å; F73-V77 PolarHBondContact O-N 3.04Å; V77-V80 PolarHBondContact O-N 2.91Å; V77-A81 PolarHBondContact O-N 3.27Å; V77-A81 VanDerWaalsContact O-N 3.13Å; V77-L223 HydrophobicContact CG1-CB 4.05Å; V77-L223 WeakPolarHBondContact CG1-O 3.34Å; V77-L223 HydrophobicContact CG2-CB 4.47Å; V77-I224 HydrophobicContact CB-CG1 4.47Å; V77-I224 HydrophobicContact CG1-CG1 4.31Å; V77-I224 HydrophobicContact CG2-CG1 4.39Å; V77-A227 HydrophobicContact CG1-CB 4.14Å
78	V	98.5	Very high	98.4	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	26%	0.263	C	S	.	.	I	π-helix	trans	-64.3	-54.6	-173.2	174.3	0	0	0	0	111.1	Y60 F73 V80 A81 L82 I172 F208	Y60-V78 HydrophobicContact CE1-CG1 4.41Å; Y60-V78 WeakPolarHBondContact OH-CG1 2.96Å; F73-V78 HydrophobicContact CD1-CG2 3.73Å; F73-V78 HydrophobicContact CE1-CG2 3.58Å; F73-V78 PolarHBondContact O-N 2.76Å; V78-V80 PolarHBondContact O-N 2.79Å; V78-A81 PolarHBondContact O-N 2.93Å; V78-A81 VanDerWaalsContact O-N 3.1Å; V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 HydrophobicContact CG1-CG 4.15Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 3.12Å; V78-I172 HydrophobicContact CG1-CD1 3.45Å; V78-I172 VanDerWaalsContact CG1-CD1 3.45Å; V78-F208 HydrophobicContact CG2-CE2 4.09Å; V78-F208 HydrophobicContact CG2-CZ 4.38Å
79	A	98.7	Very high	98.4	Very high	45 Å²	45	41.6 Å²	41.6	37%	0.372	23%	0.225	S	C	.	.	H	α-helix	trans	-60.9	-33.6	-177.9	0	0	0	0	0	112.8	K74 A83	K74-A79 WeakPolarHBondContact O-CB 3.49Å; K74-A79 PolarHBondContact O-N 3.27Å; A79-A83 VanDerWaalsContact O-CB 3.24Å; A79-A83 WeakPolarHBondContact O-CB 3.2Å; A79-A83 PolarHBondContact O-N 2.98Å
80	V	98.5	Very high	98.4	Very high	65 Å²	65	40.5 Å²	40.5	39%	0.394	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-47	174.9	178.6	0	0	0	0	110.7	E76 V77 V78 A83 F84 I224	E76-V80 WeakPolarHBondContact O-CG2 3.42Å; V77-V80 PolarHBondContact O-N 2.91Å; V78-V80 PolarHBondContact O-N 2.79Å; V80-A83 PolarHBondContact O-N 3.06Å; V80-F84 PolarHBondContact O-N 3.15Å; V80-F84 VanDerWaalsContact O-N 3.12Å; V80-I224 HydrophobicContact CG1-CD1 4.49Å; V80-I224 HydrophobicContact CG1-CG2 3.98Å
81	A	98.5	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40	179.1	0	0	0	0	0	113.1	V77 V78 F84 W85 A227 I228 L231	V77-A81 PolarHBondContact O-N 3.27Å; V77-A81 VanDerWaalsContact O-N 3.13Å; V78-A81 PolarHBondContact O-N 2.93Å; V78-A81 VanDerWaalsContact O-N 3.1Å; A81-F84 WeakPolarHBondContact O-CB 3.32Å; A81-F84 PolarHBondContact O-N 3.36Å; A81-W85 PolarHBondContact O-N 3.27Å; A81-A227 HydrophobicContact CB-CB 3.53Å; A81-I228 HydrophobicContact CB-CG1 3.68Å; A81-L231 HydrophobicContact CB-CD1 3.8Å
82	L	98.8	Very high	97.8	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-48.6	174.4	-61.6	178	0	0	0	110.8	F56 P58 V78 F84 W85 E86 L170 L231	F56-L82 HydrophobicContact CB-CD1 4.26Å; F56-L82 HydrophobicContact CB-CD2 3.96Å; F56-L82 HydrophobicContact CB-CG 4.49Å; F56-L82 HydrophobicContact CD1-CD2 3.95Å; F56-L82 HydrophobicContact CD2-CB 3.98Å; F56-L82 HydrophobicContact CD2-CD2 3.68Å; F56-L82 HydrophobicContact CD2-CG 4.36Å; F56-L82 HydrophobicContact CE1-CD2 4.33Å; F56-L82 HydrophobicContact CE2-CD2 4.1Å; F56-L82 HydrophobicContact CG-CD2 3.6Å; F56-L82 HydrophobicContact CG-CG 4.47Å; F56-L82 HydrophobicContact CZ-CD2 4.4Å; P58-L82 HydrophobicContact CB-CD1 4.16Å; P58-L82 HydrophobicContact CG-CD1 4.17Å; V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 HydrophobicContact CG1-CG 4.15Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 3.12Å; L82-F84 PolarHBondContact O-N 2.76Å; L82-W85 PolarHBondContact O-N 2.62Å; L82-W85 VanDerWaalsContact O-N 3.11Å; L82-E86 WeakPolarHBondContact O-CG 3.42Å; L82-E86 PolarHBondContact O-N 3.17Å; L82-L170 HydrophobicContact CD2-CD2 3.61Å; L82-L231 HydrophobicContact CD2-CD1 3.8Å; L82-L231 HydrophobicContact CD2-CD2 3.88Å
83	A	98.7	Very high	97.1	Very high	50 Å²	50	39.7 Å²	39.7	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-33.9	-179.3	0	0	0	0	0	112.7	A79 V80 K87	A79-A83 VanDerWaalsContact O-CB 3.24Å; A79-A83 WeakPolarHBondContact O-CB 3.2Å; A79-A83 PolarHBondContact O-N 2.98Å; V80-A83 PolarHBondContact O-N 3.06Å; A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 3.17Å; A83-K87 VanDerWaalsContact O-N 3.11Å
84	F	98.6	Very high	96.2	Very high	34 Å²	34	40.6 Å²	40.6	15%	0.149	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-54.8	172.4	174.6	-90.8	0	0	0	111	V80 A81 L82 K87 A88 I228 V355 V375	V80-F84 PolarHBondContact O-N 3.15Å; V80-F84 VanDerWaalsContact O-N 3.12Å; A81-F84 WeakPolarHBondContact O-CB 3.32Å; A81-F84 PolarHBondContact O-N 3.36Å; L82-F84 PolarHBondContact O-N 2.76Å; F84-K87 WeakPolarHBondContact O-CB 3.49Å; F84-K87 PolarHBondContact O-N 3.09Å; F84-K87 VanDerWaalsContact O-N 3.14Å; F84-A88 HydrophobicContact CE1-CB 4.25Å; F84-A88 WeakPolarHBondContact O-CB 3.37Å; F84-A88 PolarHBondContact O-N 2.97Å; F84-I228 HydrophobicContact CB-CD1 4.32Å; F84-I228 HydrophobicContact CD1-CG2 3.94Å; F84-I228 HydrophobicContact CE1-CG2 4.16Å; F84-I228 HydrophobicContact CG-CD1 4.24Å; F84-V355 HydrophobicContact CE1-CB 4.14Å; F84-V355 HydrophobicContact CE1-CG1 3.8Å; F84-V355 HydrophobicContact CE1-CG2 3.8Å; F84-V355 HydrophobicContact CE2-CB 4.2Å; F84-V355 HydrophobicContact CE2-CG2 4.13Å; F84-V355 HydrophobicContact CZ-CB 3.52Å; F84-V355 HydrophobicContact CZ-CG1 3.43Å; F84-V355 VanDerWaalsContact CZ-CG1 3.43Å; F84-V355 HydrophobicContact CZ-CG2 3.55Å; F84-V375 HydrophobicContact CE2-CB 4.2Å; F84-V375 HydrophobicContact CE2-CG2 4.08Å; F84-V375 HydrophobicContact CZ-CG2 3.91Å
85	W	98.6	Very high	95.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.6	-35.7	-176.6	-76.5	116.4	0	0	0	113.3	L54 F56 A81 L82 K87 A88 L89 I228 L231 M235 T359 L360 F363	L54-W85 HydrophobicContact CD2-CB 4.38Å; F56-W85 HydrophobicContact CE2-CB 3.76Å; F56-W85 HydrophobicContact CZ-CB 4.15Å; A81-W85 PolarHBondContact O-N 3.27Å; L82-W85 PolarHBondContact O-N 2.62Å; L82-W85 VanDerWaalsContact O-N 3.11Å; W85-K87 PolarHBondContact O-N 2.74Å; W85-A88 HydrophobicContact CE3-CB 3.98Å; W85-A88 HydrophobicContact CZ3-CB 4.47Å; W85-A88 PolarHBondContact O-N 2.8Å; W85-A88 VanDerWaalsContact O-N 3.11Å; W85-L89 HydrophobicContact CE3-CD1 3.57Å; W85-L89 HydrophobicContact CE3-CG 3.85Å; W85-L89 HydrophobicContact CZ3-CD1 3.92Å; W85-L89 HydrophobicContact CZ3-CD2 4.41Å; W85-L89 HydrophobicContact CZ3-CG 4.22Å; W85-L89 PolarHBondContact O-N 2.88Å; W85-I228 HydrophobicContact CZ2-CG2 4.13Å; W85-I228 PolarHBondContact NE1-O 2.82Å; W85-L231 VanDerWaalsContact CD1-CB 3.46Å; W85-L231 HydrophobicContact CG-CB 4.46Å; W85-M235 HydrophobicContact CB-CE 4.05Å; W85-M235 HydrophobicContact CB-SD 4.48Å; W85-M235 HydrophobicContact CD2-CE 3.14Å; W85-M235 HydrophobicContact CD2-SD 4.48Å; W85-M235 VanDerWaalsContact CE2-CE 3.42Å; W85-M235 HydrophobicContact CE3-CE 3.46Å; W85-M235 VanDerWaalsContact CE3-CE 3.46Å; W85-M235 HydrophobicContact CG-CE 3.43Å; W85-M235 VanDerWaalsContact CG-CE 3.43Å; W85-M235 HydrophobicContact CG-SD 4.45Å; W85-M235 HydrophobicContact CH2-CE 4.24Å; W85-M235 HydrophobicContact CZ2-CE 3.97Å; W85-M235 HydrophobicContact CZ3-CE 4Å; W85-T359 HydrophobicContact CH2-CG2 4.01Å; W85-L360 HydrophobicContact CZ3-CD2 4.34Å; W85-F363 AromaticContact CH2-CD2 3.69Å; W85-F363 HydrophobicContact CH2-CD2 3.69Å; W85-F363 AromaticContact CH2-CE2 3.23Å; W85-F363 HydrophobicContact CH2-CE2 3.23Å; W85-F363 AromaticContact CH2-CZ 3.94Å; W85-F363 HydrophobicContact CH2-CZ 3.94Å; W85-F363 HydrophobicContact CZ2-CE2 4.1Å; W85-F363 AromaticContact CZ3-CD2 3.71Å; W85-F363 HydrophobicContact CZ3-CD2 3.71Å; W85-F363 AromaticContact CZ3-CE2 3.67Å; W85-F363 HydrophobicContact CZ3-CE2 3.67Å; W85-F363 HydrophobicContact CZ3-CG 4.4Å; W85-F363 HydrophobicContact CZ3-CZ 4.28Å
86	E	98.4	Very high	94.4	Very high	50 Å²	50	37.1 Å²	37.1	23%	0.234	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-28.2	171.5	-67	-176.1	160	0	0	112.6	R53 L54 K55 F56 L82	R53-E86 WeakPolarHBondContact CG-O 3.2Å; R53-E86 PolarHBondContact NE-O 2.86Å; R53-E86 PolarHBondContact NH2-O 3.06Å; L54-E86 WeakPolarHBondContact O-CG 3.26Å; K55-E86 WeakPolarHBondContact CA-OE1 3.42Å; F56-E86 HydrophobicContact CD2-CG 3.68Å; F56-E86 HydrophobicContact CE2-CG 4.16Å; F56-E86 PolarHBondContact N-OE1 3.09Å; L82-E86 WeakPolarHBondContact O-CG 3.42Å; L82-E86 PolarHBondContact O-N 3.17Å
87	K	98.2	Very high	93.8	Very high	118 Å²	118	39.8 Å²	39.8	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-80.8	-31.4	172.7	-170.8	-173.2	176.7	-173.3	0	112.2	A83 F84 W85 N372 V375	A83-K87 WeakPolarHBondContact O-CB 3.49Å; A83-K87 PolarHBondContact O-N 3.17Å; A83-K87 VanDerWaalsContact O-N 3.11Å; F84-K87 WeakPolarHBondContact O-CB 3.49Å; F84-K87 PolarHBondContact O-N 3.09Å; F84-K87 VanDerWaalsContact O-N 3.14Å; W85-K87 PolarHBondContact O-N 2.74Å; K87-N372 PolarHBondContact O-ND2 3.18Å; K87-V375 HydrophobicContact CB-CG1 4.4Å; K87-V375 HydrophobicContact CD-CG1 3.81Å; K87-V375 HydrophobicContact CG-CG1 3.77Å
88	A	98.5	Very high	93.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-78.6	-36.6	-176.6	0	0	0	0	0	113.1	F84 W85 L360 N372 V375	F84-A88 HydrophobicContact CE1-CB 4.25Å; F84-A88 WeakPolarHBondContact O-CB 3.37Å; F84-A88 PolarHBondContact O-N 2.97Å; W85-A88 HydrophobicContact CE3-CB 3.98Å; W85-A88 HydrophobicContact CZ3-CB 4.47Å; W85-A88 PolarHBondContact O-N 2.8Å; W85-A88 VanDerWaalsContact O-N 3.11Å; A88-L360 HydrophobicContact CB-CD2 4.35Å; A88-N372 PolarHBondContact O-N 3.13Å; A88-V375 HydrophobicContact CB-CG2 3.78Å
89	L	98.3	Very high	93	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.2	-165.9	-55.9	179.7	0	0	0	113.8	L54 W85 M235 F363 W369 V371	L54-L89 HydrophobicContact CB-CB 4.34Å; L54-L89 WeakPolarHBondContact CB-O 3.45Å; L54-L89 HydrophobicContact CD2-CB 4.06Å; L54-L89 HydrophobicContact CD2-CD1 4.28Å; L54-L89 PolarHBondContact N-O 3.01Å; W85-L89 HydrophobicContact CE3-CD1 3.57Å; W85-L89 HydrophobicContact CE3-CG 3.85Å; W85-L89 HydrophobicContact CZ3-CD1 3.92Å; W85-L89 HydrophobicContact CZ3-CD2 4.41Å; W85-L89 HydrophobicContact CZ3-CG 4.22Å; W85-L89 PolarHBondContact O-N 2.88Å; L89-M235 HydrophobicContact CD1-CE 3.97Å; L89-M235 HydrophobicContact CD1-SD 3.69Å; L89-F363 HydrophobicContact CD1-CD1 4.23Å; L89-F363 HydrophobicContact CD1-CG 4.42Å; L89-F363 HydrophobicContact CD2-CB 3.96Å; L89-F363 HydrophobicContact CD2-CG 4.34Å; L89-W369 HydrophobicContact CB-CB 4.45Å; L89-W369 HydrophobicContact CB-CD2 4.34Å; L89-W369 HydrophobicContact CB-CE3 4Å; L89-W369 HydrophobicContact CD1-CD2 3.97Å; L89-W369 HydrophobicContact CD1-CE3 4.3Å; L89-W369 HydrophobicContact CD1-CG 4.08Å; L89-W369 HydrophobicContact CD2-CB 3.97Å; L89-W369 HydrophobicContact CD2-CG 4.31Å; L89-V371 HydrophobicContact CD2-CG1 4.5Å; L89-V371 HydrophobicContact CD2-CG2 3.83Å
90	S	97.3	Very high	92.7	Very high	28 Å²	28	40.2 Å²	40.2	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.7	165.5	-64.5	0	0	0	0	109.4	N52 R92 W369 D370	N52-S90 CarbonylContact O-C 3.51Å; N52-S90 VanDerWaalsContact O-CA 3.29Å; N52-S90 WeakPolarHBondContact O-CA 3.44Å; N52-S90 WeakPolarHBondContact O-CB 3.48Å; S90-R92 PolarHBondContact O-N 2.91Å; S90-W369 CarbonylContact O-C 3.28Å; S90-W369 VanDerWaalsContact O-CA 3.28Å; S90-W369 WeakPolarHBondContact O-CA 3.29Å; S90-D370 PolarHBondContact N-O 2.88Å; S90-D370 PolarHBondContact O-N 3.35Å
91	V	94.5	Very high	92.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.1	177.2	174.5	0	0	0	0	110	N52 K93 P94 N166 W369	N52-V91 PolarHBondContact O-N 3.17Å; V91-K93 PolarHBondContact O-N 2.91Å; V91-P94 HydrophobicContact CB-CB 4.47Å; V91-P94 HydrophobicContact CB-CG 4.12Å; V91-P94 HydrophobicContact CG1-CB 3.83Å; V91-P94 HydrophobicContact CG1-CG 3.89Å; V91-P94 WeakPolarHBondContact O-CD 3.38Å; V91-N166 HydrophobicContact CG2-CB 4.31Å; V91-W369 HydrophobicContact CG2-CE3 4.11Å; V91-W369 HydrophobicContact CG2-CH2 4.46Å; V91-W369 HydrophobicContact CG2-CZ3 3.58Å
92	R	90.4	Very high	92.1	Very high	61 Å²	61	40.8 Å²	40.8	23%	0.23	20%	0.197	C	C	.	.	S	Bend	trans	-73.1	124.2	177.5	-169.5	177.9	-174.1	86	-4.8	110	S90 L248 G367 W368 D370	S90-R92 PolarHBondContact O-N 2.91Å; R92-L248 PolarHBondContact NE-O 3.25Å; R92-L248 PolarHBondContact NH2-O 2.87Å; R92-G367 WeakPolarHBondContact CD-O 3.46Å; R92-W368 WeakPolarHBondContact CB-O 3.36Å; R92-W368 PolarHBondContact N-O 3.11Å; R92-D370 IonicContact CZ-OD1 3.9Å; R92-D370 IonicContact NH1-OD1 2.85Å; R92-D370 PolarHBondContact NH1-OD1 2.99Å
93	K	82.4	Confident	91.9	Very high	145 Å²	145	40.3 Å²	40.3	63%	0.63	20%	0.195	S	C	*	.	S	Bend	trans	42.8	61.7	177.9	-59.5	177.1	-176.6	175.3	0	112.9	V91 S249	V91-K93 PolarHBondContact O-N 2.91Å; K93-S249 PolarHBondContact NZ-O 3.11Å
94	P	79.2	Confident	91.5	Very high	18 Å²	18	38.4 Å²	38.4	12%	0.117	18%	0.18	C	C	.	.			trans	-59.4	142	-178.9	-0.7	10.5	0	0	0	110.2	Y49 N52 V91 P165	Y49-P94 HydrophobicContact CE1-CB 4.39Å; Y49-P94 HydrophobicContact CE1-CG 3.99Å; Y49-P94 HydrophobicContact CE2-CB 4.39Å; Y49-P94 VanDerWaalsContact OH-C 3.25Å; Y49-P94 WeakPolarHBondContact OH-CA 3.07Å; Y49-P94 WeakPolarHBondContact OH-CB 3.38Å; Y49-P94 WeakPolarHBondContact OH-CD 3.44Å; Y49-P94 WeakPolarHBondContact OH-CG 3.24Å; Y49-P94 PolarHBondContact OH-O 2.82Å; N52-P94 HydrophobicContact CB-CG 4.06Å; V91-P94 HydrophobicContact CB-CB 4.47Å; V91-P94 HydrophobicContact CB-CG 4.12Å; V91-P94 HydrophobicContact CG1-CB 3.83Å; V91-P94 HydrophobicContact CG1-CG 3.89Å; V91-P94 WeakPolarHBondContact O-CD 3.38Å; P94-P165 HydrophobicContact CB-CB 3.43Å; P94-P165 VanDerWaalsContact CB-CB 3.43Å; P94-P165 HydrophobicContact CB-CG 4.46Å
95	P	77.2	Confident	91.3	Very high	31 Å²	31	37 Å²	37	20%	0.201	17%	0.174	C	C	.	.			trans	-71.2	152.5	174.6	29.2	-36.8	0	0	0	110.8	L40 R97 P165 H195	L40-P95 HydrophobicContact CD2-CG 4.4Å; P95-R97 PolarHBondContact O-N 2.78Å; P95-P165 HydrophobicContact CG-CB 4.4Å; P95-P165 WeakPolarHBondContact O-CB 3.22Å; P95-P165 WeakPolarHBondContact O-CG 3.39Å; P95-H195 WeakPolarHBondContact CG-NE2 3.43Å
96	N	82.9	Confident	91.1	Very high	66 Å²	66	40.1 Å²	40.1	35%	0.353	19%	0.193	S	C	.	.	S	Bend	trans	-82.5	44.5	174	-164.9	39.1	0	0	0	112.6	P43 I44 Y49	P43-N96 VanDerWaalsContact CA-O 3.31Å; P43-N96 WeakPolarHBondContact CA-O 3.26Å; I44-N96 PolarHBondContact N-O 2.86Å; I44-N96 PolarHBondContact O-ND2 2.86Å; I44-N96 PolarHBondContact O-OD1 2.94Å; Y49-N96 HydrophobicContact CE2-CB 4.48Å
97	R	86.1	Confident	90.8	Very high	100 Å²	100	39.3 Å²	39.3	38%	0.377	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.1	-178.3	-66.1	-173.2	68	-172.2	-0.1	110	L40 G41 E42 I44 P95 P165	L40-R97 HydrophobicContact CB-CB 4.4Å; L40-R97 HydrophobicContact CD2-CB 4.43Å; L40-R97 PolarHBondContact O-NH2 3.31Å; G41-R97 PolarHBondContact O-NE 2.92Å; G41-R97 PolarHBondContact O-NH2 3.49Å; E42-R97 WeakPolarHBondContact O-CA 3.49Å; I44-R97 VanDerWaalsContact CD1-C 3.48Å; P95-R97 PolarHBondContact O-N 2.78Å; R97-P165 WeakPolarHBondContact O-CG 3.43Å
98	K	87	Confident	90	Very high	56 Å²	56	39.7 Å²	39.7	24%	0.243	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	154.5	176.5	-62.1	-173	170.1	-174.9	0	111.3	G41 E42 I44 S161	G41-K98 PolarHBondContact N-O 3.45Å; E42-K98 PolarHBondContact O-N 2.85Å; I44-K98 HydrophobicContact CD1-CB 4.36Å; I44-K98 HydrophobicContact CD1-CG 3.66Å; I44-K98 HydrophobicContact CG1-CB 4.36Å; I44-K98 HydrophobicContact CG1-CD 4.44Å; I44-K98 HydrophobicContact CG1-CG 3.34Å; K98-S161 WeakPolarHBondContact CD-O 3.41Å; K98-S161 WeakPolarHBondContact CE-O 2.92Å; K98-S161 PolarHBondContact NZ-O 3.3Å
99	L	91.3	Very high	89.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.7	173	-59.3	176.8	0	0	0	109.6	L40 G162 F163 H195 I202	L40-L99 HydrophobicContact CD2-CD2 3.97Å; L99-G162 CarbonylContact O-C 3.59Å; L99-G162 WeakPolarHBondContact O-CA 2.93Å; L99-F163 HydrophobicContact CB-CD1 3.97Å; L99-F163 HydrophobicContact CB-CD2 4.01Å; L99-F163 HydrophobicContact CB-CE1 3.56Å; L99-F163 HydrophobicContact CB-CE2 3.66Å; L99-F163 HydrophobicContact CB-CG 4.17Å; L99-F163 HydrophobicContact CB-CZ 3.43Å; L99-F163 VanDerWaalsContact CB-CZ 3.43Å; L99-F163 HydrophobicContact CD1-CD2 4.04Å; L99-F163 HydrophobicContact CD1-CE2 3.46Å; L99-F163 VanDerWaalsContact CD1-CE2 3.46Å; L99-F163 HydrophobicContact CD1-CZ 3.92Å; L99-F163 HydrophobicContact CG-CE2 4.18Å; L99-F163 HydrophobicContact CG-CZ 4.32Å; L99-F163 PolarHBondContact N-O 2.97Å; L99-F163 VanDerWaalsContact O-CD1 3.3Å; L99-F163 WeakPolarHBondContact O-CD1 3.33Å; L99-F163 PolarHBondContact O-N 3.24Å; L99-H195 WeakPolarHBondContact CD2-CD2 3.45Å; L99-H195 WeakPolarHBondContact CD2-NE2 3.34Å; L99-I202 HydrophobicContact CD1-CB 4.23Å; L99-I202 HydrophobicContact CD1-CD1 4.38Å; L99-I202 HydrophobicContact CD1-CG2 3.88Å
100	L	93.3	Very high	89	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.3	173.5	-68.2	168.6	0	0	0	108.8	G38 I39 Y140 D159	G38-L100 CarbonylContact C-O 3.49Å; G38-L100 WeakPolarHBondContact CA-O 3.35Å; I39-L100 HydrophobicContact CB-CB 4.42Å; I39-L100 PolarHBondContact N-O 3.34Å; I39-L100 PolarHBondContact O-N 3.43Å; L100-Y140 CarbonylContact C-O 3.47Å; L100-Y140 WeakPolarHBondContact CA-O 3.46Å; L100-D159 HydrophobicContact CD1-CB 3.94Å
101	I	93.6	Very high	88.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-104.1	133.6	173.3	-55.3	-50.5	0	0	0	109.7	R103 V136 Y140 A141 S142 F163 E193 I202 M203	I101-R103 PolarHBondContact O-N 3.04Å; I101-V136 HydrophobicContact CB-CG1 4.22Å; I101-V136 HydrophobicContact CG1-CG1 4.14Å; I101-V136 HydrophobicContact CG2-CG2 4.33Å; I101-Y140 PolarHBondContact N-O 2.98Å; I101-A141 CarbonylContact O-C 3.56Å; I101-A141 WeakPolarHBondContact O-CA 3.38Å; I101-S142 PolarHBondContact O-N 3.04Å; I101-F163 HydrophobicContact CD1-CE1 4.2Å; I101-F163 HydrophobicContact CD1-CZ 4.33Å; I101-F163 HydrophobicContact CG1-CE1 4.39Å; I101-E193 HydrophobicContact CD1-CB 3.94Å; I101-E193 HydrophobicContact CD1-CG 3.76Å; I101-E193 HydrophobicContact CG1-CG 4.37Å; I101-E193 HydrophobicContact CG2-CG 4.11Å; I101-I202 HydrophobicContact CD1-CD1 4.04Å; I101-M203 HydrophobicContact CD1-CE 3.66Å; I101-M203 HydrophobicContact CD1-CG 4.18Å; I101-M203 HydrophobicContact CD1-SD 3.85Å; I101-M203 HydrophobicContact CG1-CE 3.2Å; I101-M203 HydrophobicContact CG1-SD 3.59Å; I101-M203 VanDerWaalsContact CG1-SD 3.59Å
102	E	91.9	Very high	88.5	Confident	77 Å²	77	57.5 Å²	57.5	36%	0.36	28%	0.279	S	S	.	.			trans	-61.2	120.2	-178.8	-174	163.8	-136.5	0	0	111.4	I39 G104 Y110	I39-E102 HydrophobicContact CD1-CB 3.68Å; I39-E102 HydrophobicContact CD1-CG 3.92Å; I39-E102 HydrophobicContact CG1-CB 4.17Å; E102-G104 VanDerWaalsContact C-N 3.32Å; E102-G104 PolarHBondContact O-N 3.08Å; E102-Y110 VanDerWaalsContact CD-CE2 3.49Å; E102-Y110 VanDerWaalsContact CD-OH 3.27Å; E102-Y110 HydrophobicContact CG-CE2 4.19Å; E102-Y110 WeakPolarHBondContact CG-OH 3.24Å; E102-Y110 WeakPolarHBondContact OE1-CE2 3.48Å; E102-Y110 PolarHBondContact OE1-OH 3.04Å; E102-Y110 VanDerWaalsContact OE1-OH 3.07Å
103	R	93.2	Very high	88.5	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.015	27%	0.269	C	S	.	.			trans	-65.9	-33.8	179.3	-178.1	171.6	-64.6	-84	-1	113.3	I101 R126 P127 A129 N138 A141 S142 C144	I101-R103 PolarHBondContact O-N 3.04Å; R103-R126 WeakPolarHBondContact CD-O 3.49Å; R103-R126 WeakPolarHBondContact CG-O 3.37Å; R103-R126 WeakPolarHBondContact O-CB 3.29Å; R103-R126 WeakPolarHBondContact O-CD 3.28Å; R103-P127 PolarHBondContact NH1-O 2.73Å; R103-A129 HydrophobicContact CB-CB 4.45Å; R103-N138 PolarHBondContact NH1-OD1 2.63Å; R103-N138 VanDerWaalsContact NH1-OD1 3.12Å; R103-N138 PolarHBondContact NH2-OD1 2.59Å; R103-A141 VanDerWaalsContact NH2-CB 3.29Å; R103-S142 PolarHBondContact N-OG 3.32Å; R103-S142 PolarHBondContact NE-O 2.87Å; R103-S142 VanDerWaalsContact NE-O 3.1Å; R103-C144 HydrophobicContact CB-CB 4.48Å
104	G	91.3	Very high	88.7	Confident	10 Å²	10	59.7 Å²	59.7	10%	0.103	28%	0.284	C	S	.	.			trans	83.1	156.9	-177.7	0	0	0	0	0	114.3	E102 Y110 R126	E102-G104 VanDerWaalsContact C-N 3.32Å; E102-G104 PolarHBondContact O-N 3.08Å; G104-Y110 WeakPolarHBondContact CA-OH 3.04Å; G104-Y110 PolarHBondContact N-OH 3.25Å; G104-R126 PolarHBondContact O-N 2.97Å
105	C	94.3	Very high	89.2	Confident	4 Å²	4	63 Å²	63	3%	0.027	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-89.7	156.2	161.5	-57.1	0	0	0	0	110.4	E107 Y110 C121 R126	C105-E107 VanDerWaalsContact C-N 3.31Å; C105-E107 CarbonylContact C-O 3.52Å; C105-E107 HydrophobicContact CB-CG 3.87Å; C105-E107 VanDerWaalsContact CB-O 3.3Å; C105-E107 WeakPolarHBondContact CB-O 3.44Å; C105-E107 VanDerWaalsContact O-O 3.13Å; C105-Y110 VanDerWaalsContact SG-CD1 3.59Å; C105-Y110 VanDerWaalsContact SG-CE1 3.59Å; C105-C121 WeakPolarHBondContact CA-SG 3.21Å; C105-C121 HydrophobicContact CB-CB 3.66Å; C105-C121 WeakPolarHBondContact CB-SG 3.02Å; C105-C121 WeakPolarHBondContact SG-CA 3.46Å; C105-C121 WeakPolarHBondContact SG-CB 3.48Å; C105-C121 CovalentContact SG-SG 2.02Å; C105-C121 PolarHBondContact SG-SG 3.06Å; C105-R126 VanDerWaalsContact O-CG 3.28Å; C105-R126 WeakPolarHBondContact O-CG 3.47Å; C105-R126 PolarHBondContact O-NE 3.19Å
106	V	93.8	Very high	89.7	Confident	65 Å²	65	66 Å²	66	39%	0.394	33%	0.326	S	S	.	.	S	Bend	trans	-67.3	-40.2	170.8	168.3	0	0	0	0	109.7	Q124 R126	V106-Q124 HydrophobicContact CB-CG 3.53Å; V106-Q124 HydrophobicContact CG1-CG 4.17Å; V106-Q124 VanDerWaalsContact CG1-NE2 3.32Å; V106-Q124 HydrophobicContact CG2-CG 3.46Å; V106-Q124 VanDerWaalsContact CG2-CG 3.46Å; V106-Q124 PolarHBondContact N-O 3.12Å; V106-R126 HydrophobicContact CG2-CG 4.05Å
107	E	91.3	Very high	89.9	Confident	34 Å²	34	64.2 Å²	64.2	16%	0.159	32%	0.322	C	S	.	.	S	Bend	trans	-67.3	153.8	165	67.2	-92.3	-144	0	0	111.9	C105 S109 F111 C121 K122 S123	C105-E107 VanDerWaalsContact C-N 3.31Å; C105-E107 CarbonylContact C-O 3.52Å; C105-E107 HydrophobicContact CB-CG 3.87Å; C105-E107 VanDerWaalsContact CB-O 3.3Å; C105-E107 WeakPolarHBondContact CB-O 3.44Å; C105-E107 VanDerWaalsContact O-O 3.13Å; E107-S109 PolarHBondContact O-N 2.9Å; E107-F111 HydrophobicContact CG-CE2 4.35Å; E107-C121 WeakPolarHBondContact OE1-CA 3.42Å; E107-K122 WeakPolarHBondContact OE1-CA 3.44Å; E107-K122 PolarHBondContact OE1-N 3.45Å; E107-S123 PolarHBondContact OE1-N 2.9Å; E107-S123 PolarHBondContact OE2-OG 3.26Å
108	P	81.8	Confident	90	Very high	126 Å²	126	63.2 Å²	63.2	82%	0.818	32%	0.32	S	S	*	.	S	Bend	trans	-76.2	7.5	-170	30.4	-37.1	0	0	0	114.9
109	S	86	Confident	90.2	Very high	69 Å²	69	64.6 Å²	64.6	48%	0.483	33%	0.33	S	S	.	.			trans	-150.8	145.6	-173.8	-60.6	0	0	0	0	112.5	E107	E107-S109 PolarHBondContact O-N 2.9Å
110	Y	89.6	Confident	90.3	Very high	70 Å²	70	65.1 Å²	65.1	28%	0.275	33%	0.332	S	S	.	.			trans	-80.9	149	168.2	-69.9	-87	0	0	0	111.2	E102 G104 C105 L119	E102-Y110 VanDerWaalsContact CD-CE2 3.49Å; E102-Y110 VanDerWaalsContact CD-OH 3.27Å; E102-Y110 HydrophobicContact CG-CE2 4.19Å; E102-Y110 WeakPolarHBondContact CG-OH 3.24Å; E102-Y110 WeakPolarHBondContact OE1-CE2 3.48Å; E102-Y110 PolarHBondContact OE1-OH 3.04Å; E102-Y110 VanDerWaalsContact OE1-OH 3.07Å; G104-Y110 WeakPolarHBondContact CA-OH 3.04Å; G104-Y110 PolarHBondContact N-OH 3.25Å; C105-Y110 VanDerWaalsContact SG-CD1 3.59Å; C105-Y110 VanDerWaalsContact SG-CE1 3.59Å; Y110-L119 HydrophobicContact CD1-CB 4.11Å
111	F	91.7	Very high	90.5	Very high	85 Å²	85	65 Å²	65	37%	0.373	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.6	166.4	-61.3	-90.4	0	0	0	108.9	E107 L119 F120 K122	E107-F111 HydrophobicContact CG-CE2 4.35Å; F111-L119 CarbonylContact O-C 3.6Å; F111-L119 WeakPolarHBondContact O-CA 3.3Å; F111-F120 HydrophobicContact CB-CD1 4.19Å; F111-F120 HydrophobicContact CB-CD2 4.28Å; F111-F120 HydrophobicContact CB-CE1 3.7Å; F111-F120 HydrophobicContact CB-CE2 3.77Å; F111-F120 HydrophobicContact CB-CG 4.47Å; F111-F120 HydrophobicContact CB-CZ 3.47Å; F111-F120 VanDerWaalsContact CB-CZ 3.47Å; F111-F120 HydrophobicContact CG-CE2 4.43Å; F111-F120 HydrophobicContact CG-CZ 4.41Å; F111-F120 PolarHBondContact N-O 2.64Å; F111-F120 VanDerWaalsContact O-CD1 3.29Å; F111-F120 WeakPolarHBondContact O-CD1 3.2Å; F111-F120 PolarHBondContact O-N 3.34Å; F111-K122 HydrophobicContact CD2-CB 3.76Å; F111-K122 HydrophobicContact CE2-CB 3.5Å; F111-K122 VanDerWaalsContact CE2-CB 3.5Å; F111-K122 HydrophobicContact CE2-CD 4.36Å; F111-K122 HydrophobicContact CZ-CB 4.17Å; F111-K122 HydrophobicContact CZ-CD 4.2Å
112	R	90.3	Very high	90.4	Very high	184 Å²	184	71.4 Å²	71.4	69%	0.694	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.7	176	179.6	173.4	-95.5	-152.8	-2.6	109.4	R114 G117 L119	R112-R114 PolarHBondContact O-N 2.89Å; R112-G117 PolarHBondContact NE-O 3.48Å; R112-L119 HydrophobicContact CB-CD2 3.97Å; R112-L119 HydrophobicContact CG-CD2 4.43Å
113	D	90.2	Very high	90.5	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	37%	0.367	C	S	.	.			trans	-65.7	130.5	172.6	-173.1	56	0	0	0	110.7	S115 T116 G117 K118 F120 S150 I153	D113-S115 PolarHBondContact OD1-OG 2.03Å; D113-S115 PolarHBondContact OD2-N 2.89Å; D113-S115 PolarHBondContact OD2-OG 2.94Å; D113-T116 WeakPolarHBondContact CB-OG1 3.05Å; D113-T116 WeakPolarHBondContact OD2-CB 3.47Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.22Å; D113-T116 PolarHBondContact OD2-N 2.79Å; D113-T116 PolarHBondContact OD2-OG1 2.92Å; D113-G117 WeakPolarHBondContact O-CA 3.44Å; D113-G117 PolarHBondContact O-N 3Å; D113-K118 PolarHBondContact N-O 3.28Å; D113-F120 HydrophobicContact CB-CD1 4.41Å; D113-F120 HydrophobicContact CB-CE1 4.2Å; D113-S150 PolarHBondContact OD1-N 3.44Å; D113-I153 HydrophobicContact CB-CD1 3.47Å; D113-I153 VanDerWaalsContact CB-CD1 3.47Å
114	R	87.5	Confident	90.6	Very high	249 Å²	249	76.2 Å²	76.2	94%	0.94	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-29.9	-176.9	-68.4	-175.4	179.2	-176.8	-0.1	112.8	R112	R112-R114 PolarHBondContact O-N 2.89Å
115	S	88.2	Confident	90.8	Very high	87 Å²	87	76.2 Å²	76.2	61%	0.608	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-43.2	-179.4	29.7	0	0	0	0	113.3	D113	D113-S115 PolarHBondContact OD1-OG 2.03Å; D113-S115 PolarHBondContact OD2-N 2.89Å; D113-S115 PolarHBondContact OD2-OG 2.94Å
116	T	88.2	Confident	90.9	Very high	95 Å²	95	80.7 Å²	80.7	58%	0.583	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-15.9	-171.4	62.4	0	0	0	0	113.4	D113 K118	D113-T116 WeakPolarHBondContact CB-OG1 3.05Å; D113-T116 WeakPolarHBondContact OD2-CB 3.47Å; D113-T116 WeakPolarHBondContact OD2-CG2 3.22Å; D113-T116 PolarHBondContact OD2-N 2.79Å; D113-T116 PolarHBondContact OD2-OG1 2.92Å; T116-K118 PolarHBondContact O-N 2.87Å; T116-K118 VanDerWaalsContact OG1-CB 3.32Å; T116-K118 WeakPolarHBondContact OG1-CB 3.46Å; T116-K118 PolarHBondContact OG1-N 3.01Å
117	G	87.2	Confident	90.9	Very high	27 Å²	27	81.7 Å²	81.7	28%	0.278	41%	0.412	S	S	.	.			trans	71.8	-0.6	-171.2	0	0	0	0	0	114.4	R112 D113	R112-G117 PolarHBondContact NE-O 3.48Å; D113-G117 WeakPolarHBondContact O-CA 3.44Å; D113-G117 PolarHBondContact O-N 3Å
118	K	89.1	Confident	91.1	Very high	79 Å²	79	85.2 Å²	85.2	34%	0.343	42%	0.424	S	S	.	.			trans	-63.1	134.7	-179.2	-172.6	168.8	-178.7	172.6	0	110.6	D113 T116 I153 D155	D113-K118 PolarHBondContact N-O 3.28Å; T116-K118 PolarHBondContact O-N 2.87Å; T116-K118 VanDerWaalsContact OG1-CB 3.32Å; T116-K118 WeakPolarHBondContact OG1-CB 3.46Å; T116-K118 PolarHBondContact OG1-N 3.01Å; K118-I153 HydrophobicContact CD-CG2 4.34Å; K118-D155 VanDerWaalsContact CE-OD1 3.25Å; K118-D155 WeakPolarHBondContact CE-OD1 3.21Å; K118-D155 IonicContact NZ-OD1 2.68Å; K118-D155 PolarHBondContact NZ-OD1 2.85Å; K118-D155 IonicContact NZ-OD2 2.84Å; K118-D155 PolarHBondContact NZ-OD2 3.33Å
119	L	90.8	Very high	91.7	Very high	86 Å²	86	79.2 Å²	79.2	45%	0.45	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.3	172.7	-63.6	178.3	0	0	0	109.9	Y110 F111 R112	Y110-L119 HydrophobicContact CD1-CB 4.11Å; F111-L119 CarbonylContact O-C 3.6Å; F111-L119 WeakPolarHBondContact O-CA 3.3Å; R112-L119 HydrophobicContact CB-CD2 3.97Å; R112-L119 HydrophobicContact CG-CD2 4.43Å
120	F	93.9	Very high	92	Very high	10 Å²	10	79.1 Å²	79.1	4%	0.044	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.4	179	69.1	-83.4	0	0	0	111.8	F111 D113 A145 G147 I153	F111-F120 HydrophobicContact CB-CD1 4.19Å; F111-F120 HydrophobicContact CB-CD2 4.28Å; F111-F120 HydrophobicContact CB-CE1 3.7Å; F111-F120 HydrophobicContact CB-CE2 3.77Å; F111-F120 HydrophobicContact CB-CG 4.47Å; F111-F120 HydrophobicContact CB-CZ 3.47Å; F111-F120 VanDerWaalsContact CB-CZ 3.47Å; F111-F120 HydrophobicContact CG-CE2 4.43Å; F111-F120 HydrophobicContact CG-CZ 4.41Å; F111-F120 PolarHBondContact N-O 2.64Å; F111-F120 VanDerWaalsContact O-CD1 3.29Å; F111-F120 WeakPolarHBondContact O-CD1 3.2Å; F111-F120 PolarHBondContact O-N 3.34Å; D113-F120 HydrophobicContact CB-CD1 4.41Å; D113-F120 HydrophobicContact CB-CE1 4.2Å; F120-A145 CarbonylContact C-O 3.49Å; F120-A145 WeakPolarHBondContact CA-O 3.23Å; F120-A145 HydrophobicContact CB-CB 4.09Å; F120-G147 WeakPolarHBondContact CD2-O 3.04Å; F120-G147 WeakPolarHBondContact CE2-O 3.3Å; F120-I153 HydrophobicContact CB-CG2 3.93Å; F120-I153 HydrophobicContact CD1-CD1 3.57Å; F120-I153 HydrophobicContact CD1-CG1 4.17Å; F120-I153 HydrophobicContact CE1-CD1 3.9Å; F120-I153 HydrophobicContact CG-CD1 4.06Å; F120-I153 HydrophobicContact CG-CG1 4.19Å; F120-I153 HydrophobicContact CG-CG2 4.43Å
121	C	96	Very high	92.1	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-91.7	136.7	169.9	-51.4	0	0	0	0	109.7	C105 E107 C144 A145 V146 G147	C105-C121 WeakPolarHBondContact CA-SG 3.21Å; C105-C121 HydrophobicContact CB-CB 3.66Å; C105-C121 WeakPolarHBondContact CB-SG 3.02Å; C105-C121 WeakPolarHBondContact SG-CA 3.46Å; C105-C121 WeakPolarHBondContact SG-CB 3.48Å; C105-C121 CovalentContact SG-SG 2.02Å; C105-C121 PolarHBondContact SG-SG 3.06Å; E107-C121 WeakPolarHBondContact OE1-CA 3.42Å; C121-C144 PolarHBondContact SG-SG 3.18Å; C121-A145 PolarHBondContact N-O 3.08Å; C121-V146 HydrophobicContact CB-CG2 4.25Å; C121-V146 CarbonylContact O-C 3.4Å; C121-V146 WeakPolarHBondContact O-CA 3.34Å; C121-G147 PolarHBondContact O-N 3.39Å
122	K	93.4	Very high	92	Very high	136 Å²	136	75.1 Å²	75.1	59%	0.591	36%	0.362	S	S	*	.	S	Bend	trans	-71.2	-40.2	174.5	-171.4	174.5	-177.2	-180	0	112.3	E107 F111 G147	E107-K122 WeakPolarHBondContact OE1-CA 3.44Å; E107-K122 PolarHBondContact OE1-N 3.45Å; F111-K122 HydrophobicContact CD2-CB 3.76Å; F111-K122 HydrophobicContact CE2-CB 3.5Å; F111-K122 VanDerWaalsContact CE2-CB 3.5Å; F111-K122 HydrophobicContact CE2-CD 4.36Å; F111-K122 HydrophobicContact CZ-CB 4.17Å; F111-K122 HydrophobicContact CZ-CD 4.2Å; K122-G147 WeakPolarHBondContact CA-O 3.38Å
123	S	92.8	Very high	91.9	Very high	72 Å²	72	69.7 Å²	69.7	50%	0.503	35%	0.346	S	S	.	.	S	Bend	trans	-100	-67.6	-174.2	78.6	0	0	0	0	112	E107 V146	E107-S123 PolarHBondContact OE1-N 2.9Å; E107-S123 PolarHBondContact OE2-OG 3.26Å; S123-V146 WeakPolarHBondContact O-CG1 3.27Å
124	Q	94.8	Very high	92	Very high	109 Å²	109	70.6 Å²	70.6	51%	0.509	35%	0.351	S	S	.	.			trans	-158.1	144.6	-175	62.7	-173.9	12.1	0	0	111.1	V106	V106-Q124 HydrophobicContact CB-CG 3.53Å; V106-Q124 HydrophobicContact CG1-CG 4.17Å; V106-Q124 VanDerWaalsContact CG1-NE2 3.32Å; V106-Q124 HydrophobicContact CG2-CG 3.46Å; V106-Q124 VanDerWaalsContact CG2-CG 3.46Å; V106-Q124 PolarHBondContact N-O 3.12Å
125	C	96.2	Very high	92.4	Very high	10 Å²	10	64.3 Å²	64.3	7%	0.068	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-66.2	148.2	166.5	-65.3	0	0	0	0	110.1	C144 Y157	C125-C144 VanDerWaalsContact CA-SG 3.53Å; C125-C144 HydrophobicContact CB-CB 3.73Å; C125-C144 WeakPolarHBondContact CB-SG 3.41Å; C125-C144 WeakPolarHBondContact SG-CB 3.25Å; C125-C144 CovalentContact SG-SG 2.02Å; C125-C144 PolarHBondContact SG-SG 3.38Å; C125-Y157 HydrophobicContact CB-CD2 3.75Å; C125-Y157 HydrophobicContact CB-CE2 3.67Å
126	R	95.4	Very high	92.8	Very high	99 Å²	99	60.2 Å²	60.2	37%	0.374	30%	0.303	S	S	.	.			trans	-63.4	137.6	167.5	-65.5	-174.9	177.7	-174.7	-4.7	109.3	R103 G104 C105 V106 R128	R103-R126 WeakPolarHBondContact CD-O 3.49Å; R103-R126 WeakPolarHBondContact CG-O 3.37Å; R103-R126 WeakPolarHBondContact O-CB 3.29Å; R103-R126 WeakPolarHBondContact O-CD 3.28Å; G104-R126 PolarHBondContact O-N 2.97Å; C105-R126 VanDerWaalsContact O-CG 3.28Å; C105-R126 WeakPolarHBondContact O-CG 3.47Å; C105-R126 PolarHBondContact O-NE 3.19Å; V106-R126 HydrophobicContact CG2-CG 4.05Å; R126-R128 WeakPolarHBondContact CB-O 3.44Å; R126-R128 PolarHBondContact O-N 2.78Å
127	P	95.1	Very high	93.2	Very high	85 Å²	85	57.5 Å²	57.5	55%	0.552	29%	0.287	S	S	*	.	S	Bend	trans	-63.8	-27.6	178	25.3	-33.8	0	0	0	112.1	R103	R103-P127 PolarHBondContact NH1-O 2.73Å
128	R	94.5	Very high	93.6	Very high	109 Å²	109	59.5 Å²	59.5	41%	0.411	29%	0.291	S	S	.	.	S	Bend	trans	-135.2	139.7	-179.7	-58.6	-67.1	-174.9	-174.4	-1.9	110.2	R126 E135	R126-R128 WeakPolarHBondContact CB-O 3.44Å; R126-R128 PolarHBondContact O-N 2.78Å; R128-E135 HydrophobicContact CB-CG 4.4Å; R128-E135 WeakPolarHBondContact CD-OE2 3.22Å; R128-E135 HydrophobicContact CG-CG 4.31Å; R128-E135 IonicContact CZ-OE2 2.81Å; R128-E135 IonicContact NE-OE2 3.58Å; R128-E135 PolarHBondContact NE-OE2 2.89Å
129	A	94.4	Very high	93.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.4	162	0	0	0	0	0	108.7	R103 V136 A141	R103-A129 HydrophobicContact CB-CB 4.45Å; A129-V136 HydrophobicContact CB-CB 3.96Å; A129-V136 PolarHBondContact O-N 3.43Å; A129-A141 HydrophobicContact CB-CB 3.71Å
130	L	93	Very high	94.2	Very high	67 Å²	67	57.4 Å²	57.4	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.3	-177.5	-63.1	176.9	0	0	0	110.7	H134 E135	L130-H134 VanDerWaalsContact CA-O 3.31Å; L130-H134 WeakPolarHBondContact CA-O 3.48Å; L130-E135 HydrophobicContact CD2-CG 4.23Å
131	C	92	Very high	94.3	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.1	163.2	145.6	0	0	0	0	105.9	D133 H134 V136 F171 C192 E193 M203	C131-D133 PolarHBondContact O-N 3.01Å; C131-H134 PolarHBondContact N-O 3.33Å; C131-H134 WeakPolarHBondContact O-CB 3.28Å; C131-H134 PolarHBondContact O-N 3.22Å; C131-V136 HydrophobicContact CB-CG2 3.76Å; C131-F171 HydrophobicContact CB-CD2 4.16Å; C131-F171 HydrophobicContact CB-CE2 3.6Å; C131-F171 HydrophobicContact CB-CZ 4.35Å; C131-F171 WeakPolarHBondContact SG-CD2 3.47Å; C131-F171 WeakPolarHBondContact SG-CE2 2.87Å; C131-C192 HydrophobicContact CB-CB 3.95Å; C131-C192 WeakPolarHBondContact CB-SG 3.27Å; C131-C192 WeakPolarHBondContact SG-CB 3.18Å; C131-C192 CovalentContact SG-SG 2Å; C131-C192 PolarHBondContact SG-SG 3.03Å; C131-E193 HydrophobicContact CB-CG 4.33Å; C131-M203 HydrophobicContact CB-SD 4.48Å
132	Y	89.2	Confident	94.2	Very high	71 Å²	71	57.3 Å²	57.3	28%	0.278	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-109.4	-167.9	-175.8	-109.5	0	0	0	111.1	M30 P31	M30-Y132 HydrophobicContact CE-CD1 3.05Å; M30-Y132 HydrophobicContact CE-CD2 3.81Å; M30-Y132 HydrophobicContact CE-CE1 3.5Å; M30-Y132 VanDerWaalsContact CE-CE1 3.5Å; M30-Y132 HydrophobicContact CE-CE2 4.16Å; M30-Y132 HydrophobicContact CE-CG 3.24Å; P31-Y132 PolarHBondContact O-OH 2.92Å
133	D	88.7	Confident	94.2	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	12.6	176.1	68.9	-4.9	0	0	0	113.6	C131 K177	C131-D133 PolarHBondContact O-N 3.01Å; D133-K177 IonicContact OD1-NZ 2.73Å; D133-K177 IonicContact OD2-NZ 3.94Å; D133-K177 PolarHBondContact OD2-NZ 3.32Å
134	H	92.8	Very high	94.3	Very high	22 Å²	22	48.7 Å²	48.7	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.2	-179.4	-57.2	-41.4	0	0	0	112.4	L130 C131 V136 F171 A205	L130-H134 VanDerWaalsContact CA-O 3.31Å; L130-H134 WeakPolarHBondContact CA-O 3.48Å; C131-H134 PolarHBondContact N-O 3.33Å; C131-H134 WeakPolarHBondContact O-CB 3.28Å; C131-H134 PolarHBondContact O-N 3.22Å; H134-V136 PolarHBondContact O-N 3.16Å; H134-F171 HydrophobicContact CB-CB 4.1Å; H134-F171 HydrophobicContact CB-CD1 3.58Å; H134-F171 HydrophobicContact CB-CD2 3.98Å; H134-F171 HydrophobicContact CB-CE1 3.94Å; H134-F171 HydrophobicContact CB-CE2 4.33Å; H134-F171 HydrophobicContact CB-CG 3.59Å; H134-F171 HydrophobicContact CB-CZ 4.3Å; H134-F171 WeakPolarHBondContact CD2-CB 3.25Å; H134-F171 AromaticContact CD2-CD2 3.99Å; H134-F171 AromaticContact CD2-CG 3.6Å; H134-F171 AromaticContact CG-CG 3.75Å; H134-A205 VanDerWaalsContact CD2-CB 3.47Å; H134-A205 WeakPolarHBondContact CD2-CB 3.09Å; H134-A205 VanDerWaalsContact NE2-CB 3.27Å; H134-A205 WeakPolarHBondContact NE2-CB 3.24Å
135	E	94.9	Very high	94.3	Very high	116 Å²	116	43.7 Å²	43.7	54%	0.542	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.6	173.5	-66.8	-167.2	-174.2	0	0	110.7	R128 L130 P137 F171	R128-E135 HydrophobicContact CB-CG 4.4Å; R128-E135 WeakPolarHBondContact CD-OE2 3.22Å; R128-E135 HydrophobicContact CG-CG 4.31Å; R128-E135 IonicContact CZ-OE2 2.81Å; R128-E135 IonicContact NE-OE2 3.58Å; R128-E135 PolarHBondContact NE-OE2 2.89Å; L130-E135 HydrophobicContact CD2-CG 4.23Å; E135-P137 WeakPolarHBondContact O-CD 2.95Å; E135-F171 WeakPolarHBondContact O-CE1 3.29Å
136	V	95.9	Very high	94.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.4	172.7	178.6	0	0	0	0	108.4	I101 A129 C131 H134 F171 M203	I101-V136 HydrophobicContact CB-CG1 4.22Å; I101-V136 HydrophobicContact CG1-CG1 4.14Å; I101-V136 HydrophobicContact CG2-CG2 4.33Å; A129-V136 HydrophobicContact CB-CB 3.96Å; A129-V136 PolarHBondContact O-N 3.43Å; C131-V136 HydrophobicContact CB-CG2 3.76Å; H134-V136 PolarHBondContact O-N 3.16Å; V136-F171 HydrophobicContact CB-CZ 4.49Å; V136-F171 HydrophobicContact CG2-CE2 4.38Å; V136-F171 HydrophobicContact CG2-CZ 3.96Å; V136-M203 HydrophobicContact CG1-CE 4.12Å; V136-M203 HydrophobicContact CG1-SD 4.48Å; V136-M203 HydrophobicContact CG2-SD 4.27Å
137	P	96.9	Very high	94.2	Very high	38 Å²	38	39.6 Å²	39.6	25%	0.247	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-50.8	141.6	174.4	-30.2	36.7	0	0	0	112.4	I59 E135 E139 Y140 A141	I59-P137 HydrophobicContact CD1-CG 3.65Å; E135-P137 WeakPolarHBondContact O-CD 2.95Å; P137-E139 HydrophobicContact CB-CG 3.73Å; P137-E139 PolarHBondContact O-N 2.59Å; P137-E139 VanDerWaalsContact O-N 3.1Å; P137-Y140 HydrophobicContact CB-CD2 4.11Å; P137-Y140 HydrophobicContact CB-CE2 4.31Å; P137-Y140 HydrophobicContact CG-CD2 4.1Å; P137-Y140 HydrophobicContact CG-CE2 4.14Å; P137-Y140 PolarHBondContact O-N 3.04Å; P137-A141 PolarHBondContact O-N 3.47Å
138	N	96.2	Very high	93.9	Very high	69 Å²	69	40.8 Å²	40.8	37%	0.369	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-59.6	-27.4	-176.8	-77.9	-25.2	0	0	0	113	R103 Y140 A141	R103-N138 PolarHBondContact NH1-OD1 2.63Å; R103-N138 VanDerWaalsContact NH1-OD1 3.12Å; R103-N138 PolarHBondContact NH2-OD1 2.59Å; N138-Y140 PolarHBondContact O-N 2.66Å; N138-A141 PolarHBondContact O-N 2.76Å
139	E	95.9	Very high	93.3	Very high	97 Å²	97	35.9 Å²	35.9	45%	0.453	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-61.1	-27.2	173.2	59	-169	-115.6	0	0	113.7	P137 G160 S161 G162	P137-E139 HydrophobicContact CB-CG 3.73Å; P137-E139 PolarHBondContact O-N 2.59Å; P137-E139 VanDerWaalsContact O-N 3.1Å; E139-G160 CarbonylContact O-C 3.53Å; E139-G160 VanDerWaalsContact O-C 3.28Å; E139-G160 WeakPolarHBondContact O-CA 3.42Å; E139-S161 CarbonylContact O-C 3.6Å; E139-S161 PolarHBondContact O-N 3.04Å; E139-S161 PolarHBondContact O-OG 3.23Å; E139-G162 PolarHBondContact O-N 2.02Å
140	Y	96	Very high	92.8	Very high	25 Å²	25	40.7 Å²	40.7	10%	0.098	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-101	-5.8	177.1	-52.2	-37	0	0	0	113.3	I59 L100 I101 P137 N138 F163 V169 M203	I59-Y140 HydrophobicContact CD1-CE2 4.2Å; L100-Y140 CarbonylContact C-O 3.47Å; L100-Y140 WeakPolarHBondContact CA-O 3.46Å; I101-Y140 PolarHBondContact N-O 2.98Å; P137-Y140 HydrophobicContact CB-CD2 4.11Å; P137-Y140 HydrophobicContact CB-CE2 4.31Å; P137-Y140 HydrophobicContact CG-CD2 4.1Å; P137-Y140 HydrophobicContact CG-CE2 4.14Å; P137-Y140 PolarHBondContact O-N 3.04Å; N138-Y140 PolarHBondContact O-N 2.66Å; Y140-F163 HydrophobicContact CD1-CB 3.96Å; Y140-F163 AromaticContact CD1-CD1 3.99Å; Y140-F163 HydrophobicContact CD1-CD1 3.99Å; Y140-F163 HydrophobicContact CD1-CG 4.42Å; Y140-F163 HydrophobicContact CE1-CB 4.08Å; Y140-F163 HydrophobicContact CG-CD1 4.09Å; Y140-V169 HydrophobicContact CD2-CG1 4.33Å; Y140-V169 HydrophobicContact CD2-CG2 4.04Å; Y140-V169 HydrophobicContact CE2-CG1 4.28Å; Y140-V169 HydrophobicContact CE2-CG2 4.04Å; Y140-M203 HydrophobicContact CD2-CE 4.42Å; Y140-M203 HydrophobicContact CG-CE 4.47Å
141	A	95.7	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-90.7	148.3	-176.6	0	0	0	0	0	111.7	I101 R103 A129 P137 N138 G160	I101-A141 CarbonylContact O-C 3.56Å; I101-A141 WeakPolarHBondContact O-CA 3.38Å; R103-A141 VanDerWaalsContact NH2-CB 3.29Å; A129-A141 HydrophobicContact CB-CB 3.71Å; P137-A141 PolarHBondContact O-N 3.47Å; N138-A141 PolarHBondContact O-N 2.76Å; A141-G160 PolarHBondContact O-N 3.29Å
142	S	94	Very high	92	Very high	7 Å²	7	48.7 Å²	48.7	5%	0.049	27%	0.272	C	S	.	.			trans	-67.5	160.6	170.2	77.2	0	0	0	0	111.3	I101 R103	I101-S142 PolarHBondContact O-N 3.04Å; R103-S142 PolarHBondContact N-OG 3.32Å; R103-S142 PolarHBondContact NE-O 2.87Å; R103-S142 VanDerWaalsContact NE-O 3.1Å
143	G	93.3	Very high	92.2	Very high	16 Å²	16	47 Å²	47	17%	0.165	27%	0.268	C	S	.	.			trans	-65.2	174.3	162.5	0	0	0	0	0	111.5	Y157 Q158 D159	G143-Y157 CarbonylContact C-O 3.58Å; G143-Y157 WeakPolarHBondContact CA-O 3.18Å; G143-Q158 VanDerWaalsContact CA-C 3.42Å; G143-Q158 WeakPolarHBondContact CA-O 3.35Å; G143-D159 PolarHBondContact N-OD1 2.81Å
144	C	95.1	Very high	92.5	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	140.3	177.8	175.4	0	0	0	0	110.4	R103 C121 C125 V156 Y157	R103-C144 HydrophobicContact CB-CB 4.48Å; C121-C144 PolarHBondContact SG-SG 3.18Å; C125-C144 VanDerWaalsContact CA-SG 3.53Å; C125-C144 HydrophobicContact CB-CB 3.73Å; C125-C144 WeakPolarHBondContact CB-SG 3.41Å; C125-C144 WeakPolarHBondContact SG-CB 3.25Å; C125-C144 CovalentContact SG-SG 2.02Å; C125-C144 PolarHBondContact SG-SG 3.38Å; C144-V156 PolarHBondContact O-N 3.45Å; C144-Y157 HydrophobicContact CB-CD2 4.25Å; C144-Y157 PolarHBondContact N-O 2.93Å; C144-Y157 PolarHBondContact O-N 2.95Å
145	A	95.2	Very high	92.5	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151	-179.9	0	0	0	0	0	111.4	F120 C121 I153 R154 D155	F120-A145 CarbonylContact C-O 3.49Å; F120-A145 WeakPolarHBondContact CA-O 3.23Å; F120-A145 HydrophobicContact CB-CB 4.09Å; C121-A145 PolarHBondContact N-O 3.08Å; A145-I153 HydrophobicContact CB-CG2 3.64Å; A145-R154 CarbonylContact C-O 3.47Å; A145-R154 WeakPolarHBondContact CA-O 3.07Å; A145-R154 WeakPolarHBondContact CB-O 3.46Å; A145-D155 WeakPolarHBondContact CB-OD1 3.1Å
146	V	95.6	Very high	92.6	Very high	13 Å²	13	50.8 Å²	50.8	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.9	175.5	176.5	0	0	0	0	110.5	C121 S123 R154 V156	C121-V146 HydrophobicContact CB-CG2 4.25Å; C121-V146 CarbonylContact O-C 3.4Å; C121-V146 WeakPolarHBondContact O-CA 3.34Å; S123-V146 WeakPolarHBondContact O-CG1 3.27Å; V146-R154 PolarHBondContact N-O 3.42Å; V146-R154 WeakPolarHBondContact O-CG 3.24Å; V146-R154 PolarHBondContact O-N 3.07Å; V146-V156 HydrophobicContact CB-CG2 3.94Å; V146-V156 HydrophobicContact CG2-CG2 3.57Å
147	G	93.4	Very high	92.6	Very high	10 Å²	10	54.3 Å²	54.3	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-174.4	179	0	0	0	0	0	115.7	F120 C121 K122 Y152	F120-G147 WeakPolarHBondContact CD2-O 3.04Å; F120-G147 WeakPolarHBondContact CE2-O 3.3Å; C121-G147 PolarHBondContact O-N 3.39Å; K122-G147 WeakPolarHBondContact CA-O 3.38Å; G147-Y152 CarbonylContact C-O 3.56Å; G147-Y152 WeakPolarHBondContact CA-O 3.42Å
148	T	89.4	Confident	92.4	Very high	110 Å²	110	59.1 Å²	59.1	68%	0.675	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	-1.6	173.2	54	0	0	0	0	113.3	Y152	T148-Y152 PolarHBondContact N-O 3.32Å
149	G	82.4	Confident	92.3	Very high	7 Å²	7	60.2 Å²	60.2	7%	0.072	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.8	177.3	-169	0	0	0	0	0	112.7	G151 Y152	G149-G151 PolarHBondContact O-N 2.96Å; G149-Y152 PolarHBondContact O-N 2.76Å
150	S	83.2	Confident	92.2	Very high	100 Å²	100	56.6 Å²	56.6	70%	0.699	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	42.5	177.4	-54.1	0	0	0	0	113.3	D113 Y152	D113-S150 PolarHBondContact OD1-N 3.44Å; S150-Y152 VanDerWaalsContact C-N 3.34Å; S150-Y152 PolarHBondContact O-N 2.05Å
151	G	79.8	Confident	92	Very high	59 Å²	59	58.6 Å²	58.6	61%	0.608	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-13.3	178.8	0	0	0	0	0	115.5	G149 I153	G149-G151 PolarHBondContact O-N 2.96Å; G151-I153 VanDerWaalsContact C-N 3.27Å; G151-I153 PolarHBondContact O-N 2.99Å; G151-I153 VanDerWaalsContact O-N 3.09Å
152	Y	89	Confident	91.8	Very high	176 Å²	176	59 Å²	59	69%	0.69	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	60.9	175.1	-61.6	-79.6	0	0	0	111.6	G147 T148 G149 S150	G147-Y152 CarbonylContact C-O 3.56Å; G147-Y152 WeakPolarHBondContact CA-O 3.42Å; T148-Y152 PolarHBondContact N-O 3.32Å; G149-Y152 PolarHBondContact O-N 2.76Å; S150-Y152 VanDerWaalsContact C-N 3.34Å; S150-Y152 PolarHBondContact O-N 2.05Å
153	I	93.3	Very high	91.7	Very high	35 Å²	35	59 Å²	59	18%	0.179	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.9	-179.7	-59.5	171.2	0	0	0	108.3	D113 K118 F120 A145 G151	D113-I153 HydrophobicContact CB-CD1 3.47Å; D113-I153 VanDerWaalsContact CB-CD1 3.47Å; K118-I153 HydrophobicContact CD-CG2 4.34Å; F120-I153 HydrophobicContact CB-CG2 3.93Å; F120-I153 HydrophobicContact CD1-CD1 3.57Å; F120-I153 HydrophobicContact CD1-CG1 4.17Å; F120-I153 HydrophobicContact CE1-CD1 3.9Å; F120-I153 HydrophobicContact CG-CD1 4.06Å; F120-I153 HydrophobicContact CG-CG1 4.19Å; F120-I153 HydrophobicContact CG-CG2 4.43Å; A145-I153 HydrophobicContact CB-CG2 3.64Å; G151-I153 VanDerWaalsContact C-N 3.27Å; G151-I153 PolarHBondContact O-N 2.99Å; G151-I153 VanDerWaalsContact O-N 3.09Å
154	R	94	Very high	91.6	Very high	158 Å²	158	59 Å²	59	60%	0.596	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.3	176.8	65.9	-177.4	-179.5	90.3	2	110.5	A145 V146	A145-R154 CarbonylContact C-O 3.47Å; A145-R154 WeakPolarHBondContact CA-O 3.07Å; A145-R154 WeakPolarHBondContact CB-O 3.46Å; V146-R154 PolarHBondContact N-O 3.42Å; V146-R154 WeakPolarHBondContact O-CG 3.24Å; V146-R154 PolarHBondContact O-N 3.07Å
155	D	93.8	Very high	91.3	Very high	76 Å²	76	58.5 Å²	58.5	41%	0.406	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.6	170.7	-66	-49.5	0	0	0	110	K118 A145	K118-D155 VanDerWaalsContact CE-OD1 3.25Å; K118-D155 WeakPolarHBondContact CE-OD1 3.21Å; K118-D155 IonicContact NZ-OD1 2.68Å; K118-D155 PolarHBondContact NZ-OD1 2.85Å; K118-D155 IonicContact NZ-OD2 2.84Å; K118-D155 PolarHBondContact NZ-OD2 3.33Å; A145-D155 WeakPolarHBondContact CB-OD1 3.1Å
156	V	95.7	Very high	91.2	Very high	55 Å²	55	58.6 Å²	58.6	33%	0.333	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-40.1	177.7	-175.7	0	0	0	0	110.2	C144 V146	C144-V156 PolarHBondContact O-N 3.45Å; V146-V156 HydrophobicContact CB-CG2 3.94Å; V146-V156 HydrophobicContact CG2-CG2 3.57Å
157	Y	96	Very high	91.2	Very high	74 Å²	74	59.4 Å²	59.4	29%	0.29	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.7	175.2	-62.2	-79.6	0	0	0	108.9	C125 G143 C144	C125-Y157 HydrophobicContact CB-CD2 3.75Å; C125-Y157 HydrophobicContact CB-CE2 3.67Å; G143-Y157 CarbonylContact C-O 3.58Å; G143-Y157 WeakPolarHBondContact CA-O 3.18Å; C144-Y157 HydrophobicContact CB-CD2 4.25Å; C144-Y157 PolarHBondContact N-O 2.93Å; C144-Y157 PolarHBondContact O-N 2.95Å
158	Q	94.5	Very high	91.3	Very high	139 Å²	139	59 Å²	59	65%	0.65	32%	0.324	S	S	*	.			trans	-90.8	159.9	169.8	-61.7	-59.1	-34.9	0	0	110	G143 G160	G143-Q158 VanDerWaalsContact CA-C 3.42Å; G143-Q158 WeakPolarHBondContact CA-O 3.35Å; Q158-G160 PolarHBondContact O-N 3.26Å
159	D	93.4	Very high	91.7	Very high	93 Å²	93	53.7 Å²	53.7	50%	0.497	29%	0.292	S	S	.	.			trans	-57.4	134.7	171.2	-77.1	-9.4	0	0	0	109.9	L100 G143	L100-D159 HydrophobicContact CD1-CB 3.94Å; G143-D159 PolarHBondContact N-OD1 2.81Å
160	G	94	Very high	92.5	Very high	21 Å²	21	53.4 Å²	53.4	22%	0.216	29%	0.289	C	S	.	.			trans	-67.4	177.5	168.2	0	0	0	0	0	111.9	E139 A141 Q158 G162	E139-G160 CarbonylContact O-C 3.53Å; E139-G160 VanDerWaalsContact O-C 3.28Å; E139-G160 WeakPolarHBondContact O-CA 3.42Å; A141-G160 PolarHBondContact O-N 3.29Å; Q158-G160 PolarHBondContact O-N 3.26Å; G160-G162 PolarHBondContact O-N 2.8Å; G160-G162 VanDerWaalsContact O-N 3.13Å
161	S	92.1	Very high	93.2	Very high	67 Å²	67	49.1 Å²	49.1	47%	0.469	26%	0.258	S	S	.	.			trans	-64.8	-13.6	176.3	57.8	0	0	0	0	114.1	K98 E139	K98-S161 WeakPolarHBondContact CD-O 3.41Å; K98-S161 WeakPolarHBondContact CE-O 2.92Å; K98-S161 PolarHBondContact NZ-O 3.3Å; E139-S161 CarbonylContact O-C 3.6Å; E139-S161 PolarHBondContact O-N 3.04Å; E139-S161 PolarHBondContact O-OG 3.23Å
162	G	91.8	Very high	94	Very high	9 Å²	9	46.4 Å²	46.4	9%	0.093	23%	0.229	C	C	.	.			trans	64.4	-175.3	-172.6	0	0	0	0	0	113.2	L99 E139 G160	L99-G162 CarbonylContact O-C 3.59Å; L99-G162 WeakPolarHBondContact O-CA 2.93Å; E139-G162 PolarHBondContact O-N 2.02Å; G160-G162 PolarHBondContact O-N 2.8Å; G160-G162 VanDerWaalsContact O-N 3.13Å
163	F	91.5	Very high	94.4	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-128.2	161.1	171.8	59.5	-78.6	0	0	0	110.8	I57 L99 I101 Y140 E167 V169 I202 M203	I57-F163 HydrophobicContact CD1-CB 4.38Å; L99-F163 HydrophobicContact CB-CD1 3.97Å; L99-F163 HydrophobicContact CB-CD2 4.01Å; L99-F163 HydrophobicContact CB-CE1 3.56Å; L99-F163 HydrophobicContact CB-CE2 3.66Å; L99-F163 HydrophobicContact CB-CG 4.17Å; L99-F163 HydrophobicContact CB-CZ 3.43Å; L99-F163 VanDerWaalsContact CB-CZ 3.43Å; L99-F163 HydrophobicContact CD1-CD2 4.04Å; L99-F163 HydrophobicContact CD1-CE2 3.46Å; L99-F163 VanDerWaalsContact CD1-CE2 3.46Å; L99-F163 HydrophobicContact CD1-CZ 3.92Å; L99-F163 HydrophobicContact CG-CE2 4.18Å; L99-F163 HydrophobicContact CG-CZ 4.32Å; L99-F163 PolarHBondContact N-O 2.97Å; L99-F163 VanDerWaalsContact O-CD1 3.3Å; L99-F163 WeakPolarHBondContact O-CD1 3.33Å; L99-F163 PolarHBondContact O-N 3.24Å; I101-F163 HydrophobicContact CD1-CE1 4.2Å; I101-F163 HydrophobicContact CD1-CZ 4.33Å; I101-F163 HydrophobicContact CG1-CE1 4.39Å; Y140-F163 HydrophobicContact CD1-CB 3.96Å; Y140-F163 AromaticContact CD1-CD1 3.99Å; Y140-F163 HydrophobicContact CD1-CD1 3.99Å; Y140-F163 HydrophobicContact CD1-CG 4.42Å; Y140-F163 HydrophobicContact CE1-CB 4.08Å; Y140-F163 HydrophobicContact CG-CD1 4.09Å; F163-E167 HydrophobicContact CB-CB 4.43Å; F163-E167 HydrophobicContact CD2-CB 4.08Å; F163-V169 HydrophobicContact CD1-CG2 4.33Å; F163-V169 HydrophobicContact CD2-CG2 4.24Å; F163-V169 HydrophobicContact CE2-CG2 4.42Å; F163-V169 HydrophobicContact CG-CG2 4.16Å; F163-I202 HydrophobicContact CE2-CB 4.2Å; F163-I202 HydrophobicContact CZ-CB 4.2Å; F163-I202 HydrophobicContact CZ-CD1 4.05Å; F163-I202 HydrophobicContact CZ-CG1 4.31Å; F163-M203 HydrophobicContact CD1-CE 4.08Å; F163-M203 HydrophobicContact CE1-CE 3.38Å; F163-M203 HydrophobicContact CZ-CE 3.74Å; F163-M203 HydrophobicContact CZ-CG 4.31Å
164	A	90.6	Very high	94.5	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	19%	0.191	C	C	.	.			trans	-71.2	153.8	-173.3	0	0	0	0	0	112.1	N166 E167	A164-N166 WeakPolarHBondContact CB-OD1 3.32Å; A164-N166 PolarHBondContact O-N 3.49Å; A164-N166 VanDerWaalsContact O-N 3.12Å; A164-E167 HydrophobicContact CB-CB 4.33Å; A164-E167 HydrophobicContact CB-CG 3.9Å; A164-E167 WeakPolarHBondContact CB-OE2 3.46Å; A164-E167 PolarHBondContact N-OE2 2.02Å; A164-E167 WeakPolarHBondContact O-CB 3.45Å; A164-E167 PolarHBondContact O-N 3.22Å
165	P	89.4	Confident	94.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.3	-179.4	-25.8	33.1	0	0	0	115.2	I44 Y49 P94 P95 R97 R200	I44-P165 HydrophobicContact CD1-CG 3.69Å; Y49-P165 HydrophobicContact CE2-CG 4.31Å; P94-P165 HydrophobicContact CB-CB 3.43Å; P94-P165 VanDerWaalsContact CB-CB 3.43Å; P94-P165 HydrophobicContact CB-CG 4.46Å; P95-P165 HydrophobicContact CG-CB 4.4Å; P95-P165 WeakPolarHBondContact O-CB 3.22Å; P95-P165 WeakPolarHBondContact O-CG 3.39Å; R97-P165 WeakPolarHBondContact O-CG 3.43Å; P165-R200 PolarHBondContact O-NH2 2.82Å
166	N	92.7	Very high	94.4	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.4	176.9	70.2	-49.9	0	0	0	113.3	R53 K55 V91 A164	R53-N166 WeakPolarHBondContact O-CB 3.36Å; R53-N166 PolarHBondContact O-ND2 2.77Å; K55-N166 PolarHBondContact N-O 3.14Å; K55-N166 VanDerWaalsContact N-O 3.11Å; V91-N166 HydrophobicContact CG2-CB 4.31Å; A164-N166 WeakPolarHBondContact CB-OD1 3.32Å; A164-N166 PolarHBondContact O-N 3.49Å; A164-N166 VanDerWaalsContact O-N 3.12Å
167	E	94.4	Very high	93.9	Very high	30 Å²	30	31.6 Å²	31.6	14%	0.14	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	149	177.2	-72.8	174.1	152.9	0	0	111	K55 I57 F163 A164	K55-E167 HydrophobicContact CB-CG 4.22Å; K55-E167 HydrophobicContact CD-CG 4.12Å; K55-E167 HydrophobicContact CG-CG 4.41Å; K55-E167 IonicContact NZ-OE1 3.83Å; K55-E167 PolarHBondContact NZ-OE1 2.9Å; K55-E167 CarbonylContact O-C 3.52Å; K55-E167 VanDerWaalsContact O-CA 3.26Å; K55-E167 WeakPolarHBondContact O-CA 3.15Å; I57-E167 HydrophobicContact CD1-CB 4.01Å; I57-E167 HydrophobicContact CD1-CG 4.16Å; I57-E167 HydrophobicContact CG1-CB 4.45Å; F163-E167 HydrophobicContact CB-CB 4.43Å; F163-E167 HydrophobicContact CD2-CB 4.08Å; A164-E167 HydrophobicContact CB-CB 4.33Å; A164-E167 HydrophobicContact CB-CG 3.9Å; A164-E167 WeakPolarHBondContact CB-OE2 3.46Å; A164-E167 PolarHBondContact N-OE2 2.02Å; A164-E167 WeakPolarHBondContact O-CB 3.45Å; A164-E167 PolarHBondContact O-N 3.22Å
168	Y	96.7	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.5	176.6	-174.4	-71.9	0	0	0	108.5	K55 F56 I57 L170 P201 I202 M203 G204 A234 M235 W369	K55-Y168 PolarHBondContact O-N 3.18Å; F56-Y168 CarbonylContact C-O 3.59Å; F56-Y168 WeakPolarHBondContact CA-O 3.49Å; F56-Y168 AromaticContact CD1-CD1 3.56Å; F56-Y168 HydrophobicContact CD1-CD1 3.56Å; F56-Y168 HydrophobicContact CD1-CE1 4.38Å; F56-Y168 HydrophobicContact CD1-CG 4.01Å; F56-Y168 AromaticContact CE1-CD1 3.52Å; F56-Y168 HydrophobicContact CE1-CD1 3.52Å; F56-Y168 HydrophobicContact CE1-CE1 4.06Å; F56-Y168 AromaticContact CE1-CG 3.85Å; F56-Y168 HydrophobicContact CE1-CG 3.85Å; I57-Y168 PolarHBondContact N-O 3.29Å; Y168-L170 HydrophobicContact CD1-CB 4.13Å; Y168-L170 HydrophobicContact CE1-CB 4.11Å; Y168-L170 HydrophobicContact CE1-CD1 3.98Å; Y168-P201 WeakPolarHBondContact CD2-O 3.36Å; Y168-P201 HydrophobicContact CE2-CB 3.99Å; Y168-P201 WeakPolarHBondContact CE2-O 3.32Å; Y168-I202 WeakPolarHBondContact CA-O 3.37Å; Y168-M203 VanDerWaalsContact OH-C 3.32Å; Y168-G204 WeakPolarHBondContact OH-CA 3.48Å; Y168-G204 PolarHBondContact OH-N 3.19Å; Y168-G204 VanDerWaalsContact OH-N 3.1Å; Y168-A234 WeakPolarHBondContact OH-CB 3.41Å; Y168-A234 PolarHBondContact OH-O 2.96Å; Y168-M235 HydrophobicContact CE2-CG 4.17Å; Y168-W369 HydrophobicContact CD2-CH2 4.47Å
169	V	97.8	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.8	178.4	-177.3	0	0	0	0	109.3	I57 I59 Y140 F163 F171 I202 M203 G204	I57-V169 HydrophobicContact CB-CG2 4.24Å; I57-V169 HydrophobicContact CD1-CG2 4.22Å; I59-V169 HydrophobicContact CD1-CG1 3.46Å; I59-V169 VanDerWaalsContact CD1-CG1 3.46Å; I59-V169 HydrophobicContact CG1-CG1 4.17Å; Y140-V169 HydrophobicContact CD2-CG1 4.33Å; Y140-V169 HydrophobicContact CD2-CG2 4.04Å; Y140-V169 HydrophobicContact CE2-CG1 4.28Å; Y140-V169 HydrophobicContact CE2-CG2 4.04Å; F163-V169 HydrophobicContact CD1-CG2 4.33Å; F163-V169 HydrophobicContact CD2-CG2 4.24Å; F163-V169 HydrophobicContact CE2-CG2 4.42Å; F163-V169 HydrophobicContact CG-CG2 4.16Å; V169-F171 HydrophobicContact CG1-CE2 4.21Å; V169-F171 HydrophobicContact CG1-CZ 4.2Å; V169-I202 PolarHBondContact N-O 3.34Å; V169-M203 HydrophobicContact CB-CE 3.76Å; V169-M203 HydrophobicContact CB-CG 3.89Å; V169-M203 HydrophobicContact CB-SD 4.01Å; V169-M203 HydrophobicContact CG1-CE 4.21Å; V169-M203 HydrophobicContact CG1-SD 4.33Å; V169-M203 HydrophobicContact CG2-CE 3.73Å; V169-M203 WeakPolarHBondContact O-CA 3.14Å; V169-M203 WeakPolarHBondContact O-CB 3.47Å; V169-G204 PolarHBondContact O-N 2.79Å
170	L	98.4	Very high	92.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119	-175.1	-179.3	73.5	0	0	0	110.2	F56 I57 P58 I59 L82 Y168 I172 G204 I206 L231 A234	F56-L170 HydrophobicContact CD1-CB 4.2Å; F56-L170 HydrophobicContact CD1-CD2 4.38Å; I57-L170 PolarHBondContact O-N 3.41Å; P58-L170 CarbonylContact C-O 3.58Å; P58-L170 WeakPolarHBondContact CA-O 3.46Å; I59-L170 PolarHBondContact N-O 3.33Å; L82-L170 HydrophobicContact CD2-CD2 3.61Å; Y168-L170 HydrophobicContact CD1-CB 4.13Å; Y168-L170 HydrophobicContact CE1-CB 4.11Å; Y168-L170 HydrophobicContact CE1-CD1 3.98Å; L170-I172 HydrophobicContact CD2-CD1 3.94Å; L170-I172 HydrophobicContact CD2-CG1 3.98Å; L170-I172 HydrophobicContact CG-CD1 4.47Å; L170-I172 HydrophobicContact CG-CG1 4.02Å; L170-G204 WeakPolarHBondContact CA-O 3.09Å; L170-I206 HydrophobicContact CD1-CG2 4.33Å; L170-I206 HydrophobicContact CD2-CG2 4.36Å; L170-I206 HydrophobicContact CG-CG2 4.37Å; L170-L231 HydrophobicContact CD1-CD2 4.07Å; L170-L231 HydrophobicContact CD2-CD2 3.46Å; L170-L231 VanDerWaalsContact CD2-CD2 3.46Å; L170-L231 HydrophobicContact CG-CD2 4.42Å; L170-A234 HydrophobicContact CD1-CB 4.31Å
171	F	97.9	Very high	91.9	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.3	173	-62.7	-82.8	0	0	0	110.3	I59 C131 H134 E135 V136 V169 M203 G204 A205 I206	I59-F171 HydrophobicContact CB-CD1 3.98Å; I59-F171 HydrophobicContact CB-CE1 4.21Å; I59-F171 HydrophobicContact CD1-CD1 4.31Å; I59-F171 HydrophobicContact CD1-CE1 3.71Å; I59-F171 HydrophobicContact CD1-CZ 4.13Å; I59-F171 HydrophobicContact CG2-CD1 4.04Å; I59-F171 HydrophobicContact CG2-CE1 4.15Å; I59-F171 WeakPolarHBondContact O-CA 3.49Å; C131-F171 HydrophobicContact CB-CD2 4.16Å; C131-F171 HydrophobicContact CB-CE2 3.6Å; C131-F171 HydrophobicContact CB-CZ 4.35Å; C131-F171 WeakPolarHBondContact SG-CD2 3.47Å; C131-F171 WeakPolarHBondContact SG-CE2 2.87Å; H134-F171 HydrophobicContact CB-CB 4.1Å; H134-F171 HydrophobicContact CB-CD1 3.58Å; H134-F171 HydrophobicContact CB-CD2 3.98Å; H134-F171 HydrophobicContact CB-CE1 3.94Å; H134-F171 HydrophobicContact CB-CE2 4.33Å; H134-F171 HydrophobicContact CB-CG 3.59Å; H134-F171 HydrophobicContact CB-CZ 4.3Å; H134-F171 WeakPolarHBondContact CD2-CB 3.25Å; H134-F171 AromaticContact CD2-CD2 3.99Å; H134-F171 AromaticContact CD2-CG 3.6Å; H134-F171 AromaticContact CG-CG 3.75Å; E135-F171 WeakPolarHBondContact O-CE1 3.29Å; V136-F171 HydrophobicContact CB-CZ 4.49Å; V136-F171 HydrophobicContact CG2-CE2 4.38Å; V136-F171 HydrophobicContact CG2-CZ 3.96Å; V169-F171 HydrophobicContact CG1-CE2 4.21Å; V169-F171 HydrophobicContact CG1-CZ 4.2Å; F171-M203 HydrophobicContact CE2-SD 4.09Å; F171-G204 PolarHBondContact N-O 3.19Å; F171-A205 HydrophobicContact CB-CB 4.26Å; F171-A205 CarbonylContact O-C 3.33Å; F171-A205 WeakPolarHBondContact O-CA 3.47Å; F171-I206 PolarHBondContact O-N 3.4Å
172	I	98	Very high	91.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.8	-176.7	-52.6	-175.3	0	0	0	108.6	P58 I59 Y60 S61 M64 V78 L170 I206 F208	P58-I172 HydrophobicContact CB-CD1 3.79Å; I59-I172 PolarHBondContact O-N 3.22Å; Y60-I172 WeakPolarHBondContact CA-O 3.43Å; Y60-I172 HydrophobicContact CD1-CB 3.78Å; Y60-I172 HydrophobicContact CD1-CD1 4.28Å; Y60-I172 HydrophobicContact CD1-CG2 3.88Å; Y60-I172 HydrophobicContact CE1-CB 3.99Å; Y60-I172 HydrophobicContact CE1-CD1 3.65Å; Y60-I172 HydrophobicContact CE1-CG1 4.36Å; Y60-I172 HydrophobicContact CE1-CG2 3.92Å; S61-I172 PolarHBondContact N-O 3.41Å; M64-I172 HydrophobicContact CE-CG2 4.32Å; M64-I172 HydrophobicContact CG-CG2 4.31Å; V78-I172 HydrophobicContact CG1-CD1 3.45Å; V78-I172 VanDerWaalsContact CG1-CD1 3.45Å; L170-I172 HydrophobicContact CD2-CD1 3.94Å; L170-I172 HydrophobicContact CD2-CG1 3.98Å; L170-I172 HydrophobicContact CG-CD1 4.47Å; L170-I172 HydrophobicContact CG-CG1 4.02Å; I172-I206 WeakPolarHBondContact CA-O 3.44Å; I172-I206 HydrophobicContact CB-CG2 4.14Å; I172-I206 HydrophobicContact CG1-CG2 3.76Å; I172-I206 HydrophobicContact CG2-CG2 4.07Å; I172-F208 HydrophobicContact CG2-CD2 4.15Å; I172-F208 HydrophobicContact CG2-CE2 4.02Å
173	S	96.4	Very high	90.7	Very high	3 Å²	3	31 Å²	31	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	161	-174.9	55.1	0	0	0	0	112.6	S61 I206 N207 F208	S61-S173 WeakPolarHBondContact OG-CA 3.45Å; S173-I206 PolarHBondContact N-O 2.94Å; S173-I206 PolarHBondContact OG-O 2.89Å; S173-I206 VanDerWaalsContact OG-O 3.12Å; S173-N207 WeakPolarHBondContact O-CA 3.44Å; S173-N207 WeakPolarHBondContact OG-CA 3.25Å; S173-N207 WeakPolarHBondContact OG-CB 3.41Å; S173-N207 PolarHBondContact OG-OD1 2.99Å; S173-N207 VanDerWaalsContact OG-OD1 3.07Å; S173-F208 PolarHBondContact O-N 3.4Å
174	S	95.7	Very high	90.3	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.049	19%	0.186	C	C	.	.			trans	-138.4	73.8	168.9	-168.6	0	0	0	0	109.7	F208 P210 M213	S174-F208 VanDerWaalsContact CA-O 3.22Å; S174-F208 WeakPolarHBondContact CA-O 3.07Å; S174-F208 WeakPolarHBondContact CB-O 3.38Å; S174-F208 PolarHBondContact OG-O 3.47Å; S174-P210 WeakPolarHBondContact OG-CA 3.19Å; S174-P210 WeakPolarHBondContact OG-CB 3.12Å; S174-M213 PolarHBondContact OG-SD 3.23Å; S174-M213 VanDerWaalsContact OG-SD 3.33Å
175	D	93.4	Very high	90.2	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.118	18%	0.18	C	C	.	.			trans	-106.4	137.2	179.6	-58	-44.9	0	0	0	110.3	N63 K177 N207	N63-D175 PolarHBondContact ND2-OD1 3.34Å; D175-K177 HydrophobicContact CB-CD 3.8Å; D175-K177 HydrophobicContact CB-CG 3.82Å; D175-K177 PolarHBondContact O-N 3.33Å; D175-K177 WeakPolarHBondContact OD2-CE 3.32Å; D175-K177 IonicContact OD2-NZ 3.33Å; D175-K177 PolarHBondContact OD2-NZ 3.41Å; D175-N207 WeakPolarHBondContact CA-OD1 3.48Å; D175-N207 WeakPolarHBondContact CB-OD1 3.25Å; D175-N207 PolarHBondContact N-OD1 3.07Å; D175-N207 PolarHBondContact O-ND2 3.41Å; D175-N207 PolarHBondContact O-OD1 3.31Å
176	N	91.5	Very high	90.2	Very high	86 Å²	86	33.3 Å²	33.3	46%	0.46	18%	0.182	S	C	.	.			trans	-81.4	62.8	172.8	-167	34.8	0	0	0	111.4	P210 Q211	N176-P210 HydrophobicContact CB-CG 4.05Å; N176-Q211 VanDerWaalsContact CG-NE2 3.27Å; N176-Q211 PolarHBondContact ND2-NE2 2.89Å; N176-Q211 PolarHBondContact OD1-NE2 2.93Å
177	K	86.8	Confident	90.2	Very high	72 Å²	72	33 Å²	33	31%	0.313	18%	0.18	S	C	.	.			trans	-89.5	-179.6	179.3	-73.3	170	179.5	163.8	0	111.5	D133 D175 G179 C180 Y188	D133-K177 IonicContact OD1-NZ 2.73Å; D133-K177 IonicContact OD2-NZ 3.94Å; D133-K177 PolarHBondContact OD2-NZ 3.32Å; D175-K177 HydrophobicContact CB-CD 3.8Å; D175-K177 HydrophobicContact CB-CG 3.82Å; D175-K177 PolarHBondContact O-N 3.33Å; D175-K177 WeakPolarHBondContact OD2-CE 3.32Å; D175-K177 IonicContact OD2-NZ 3.33Å; D175-K177 PolarHBondContact OD2-NZ 3.41Å; K177-G179 PolarHBondContact O-N 3.24Å; K177-C180 WeakPolarHBondContact O-CB 3.34Å; K177-C180 PolarHBondContact O-N 3.34Å; K177-Y188 WeakPolarHBondContact CB-OH 3.5Å
178	K	81.3	Confident	90.1	Very high	167 Å²	167	32.2 Å²	32.2	73%	0.726	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-45.4	-40.9	-176.5	-172.1	-179.6	178.7	-174.3	0	113.9	C180 L181	K178-C180 PolarHBondContact O-N 2.79Å; K178-L181 PolarHBondContact O-N 3.39Å
179	G	80.3	Confident	89.9	Confident	5 Å²	5	32.2 Å²	32.2	5%	0.052	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.9	-30.5	178.7	0	0	0	0	0	113.9	K177 T185	K177-G179 PolarHBondContact O-N 3.24Å; G179-T185 WeakPolarHBondContact O-CB 3.33Å; G179-T185 WeakPolarHBondContact O-CG2 3.46Å; G179-T185 PolarHBondContact O-OG1 3.21Å
180	C	88	Confident	89.7	Confident	9 Å²	9	32.2 Å²	32.2	6%	0.061	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-87.8	-9	-178.8	-62.4	0	0	0	0	114.4	K177 K178 S182 N207 C209	K177-C180 WeakPolarHBondContact O-CB 3.34Å; K177-C180 PolarHBondContact O-N 3.34Å; K178-C180 PolarHBondContact O-N 2.79Å; C180-S182 VanDerWaalsContact C-N 3.3Å; C180-S182 PolarHBondContact O-N 3.28Å; C180-N207 PolarHBondContact SG-ND2 2.93Å; C180-C209 WeakPolarHBondContact CA-SG 3.45Å; C180-C209 HydrophobicContact CB-CB 3.68Å; C180-C209 WeakPolarHBondContact CB-SG 3.43Å; C180-C209 WeakPolarHBondContact SG-CA 3.4Å; C180-C209 WeakPolarHBondContact SG-CB 3.36Å; C180-C209 CovalentContact SG-SG 2.04Å; C180-C209 PolarHBondContact SG-SG 3.49Å
181	L	86.1	Confident	89.5	Confident	121 Å²	121	32.2 Å²	32.2	63%	0.634	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-75.5	-17.2	-174.8	-58.4	-178.3	0	0	0	113.6	K178 G183	K178-L181 PolarHBondContact O-N 3.39Å; L181-G183 PolarHBondContact O-N 2.67Å
182	S	78.5	Confident	89.3	Confident	54 Å²	54	31.9 Å²	31.9	38%	0.378	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.3	-178.7	70.6	0	0	0	0	113.4	C180 V184 T185	C180-S182 VanDerWaalsContact C-N 3.3Å; C180-S182 PolarHBondContact O-N 3.28Å; S182-V184 PolarHBondContact O-N 2.83Å; S182-V184 VanDerWaalsContact O-N 3.07Å; S182-V184 WeakPolarHBondContact OG-CG2 3.16Å; S182-V184 PolarHBondContact OG-N 3.33Å; S182-T185 PolarHBondContact OG-N 3.23Å; S182-T185 PolarHBondContact OG-OG1 2.86Å
183	G	79.2	Confident	89.2	Confident	35 Å²	35	32 Å²	32	36%	0.361	18%	0.176	S	C	.	.	S	Bend	trans	72.3	-13.7	-173.8	0	0	0	0	0	115.2	L181 K212	L181-G183 PolarHBondContact O-N 2.67Å; G183-K212 WeakPolarHBondContact O-CE 3.49Å; G183-K212 PolarHBondContact O-NZ 3.31Å
184	V	84	Confident	89.1	Confident	60 Å²	60	31.9 Å²	31.9	36%	0.364	18%	0.175	S	C	.	.	S	Bend	trans	-107.3	2	-179.1	-61	0	0	0	0	113.2	Y25 I26 S182	Y25-V184 CarbonylContact C-O 3.54Å; Y25-V184 WeakPolarHBondContact CA-O 3.27Å; Y25-V184 VanDerWaalsContact CB-O 3.28Å; Y25-V184 WeakPolarHBondContact CB-O 3.4Å; Y25-V184 WeakPolarHBondContact CD1-O 3.34Å; I26-V184 HydrophobicContact CB-CG2 4.33Å; I26-V184 HydrophobicContact CD1-CG2 4.24Å; I26-V184 HydrophobicContact CG1-CG2 4.36Å; I26-V184 PolarHBondContact N-O 3.27Å; S182-V184 PolarHBondContact O-N 2.83Å; S182-V184 VanDerWaalsContact O-N 3.07Å; S182-V184 WeakPolarHBondContact OG-CG2 3.16Å; S182-V184 PolarHBondContact OG-N 3.33Å
185	T	87.7	Confident	89	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.			trans	-104.2	126.9	177.4	-59.7	0	0	0	0	109.2	I26 Q28 G179 S182 A187 C209	I26-T185 PolarHBondContact O-OG1 3.45Å; Q28-T185 HydrophobicContact CB-CG2 4.35Å; Q28-T185 HydrophobicContact CG-CG2 4.27Å; Q28-T185 PolarHBondContact NE2-OG1 2.7Å; G179-T185 WeakPolarHBondContact O-CB 3.33Å; G179-T185 WeakPolarHBondContact O-CG2 3.46Å; G179-T185 PolarHBondContact O-OG1 3.21Å; S182-T185 PolarHBondContact OG-N 3.23Å; S182-T185 PolarHBondContact OG-OG1 2.86Å; T185-A187 WeakPolarHBondContact CG2-O 3.44Å; T185-C209 PolarHBondContact O-SG 3.23Å
186	L	89.4	Confident	88.8	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	-86.6	-42.5	176.7	-68.9	177.3	0	0	0	111.4	Y25 C209 K212 L223 T226	Y25-L186 HydrophobicContact CD1-CD1 4.14Å; Y25-L186 HydrophobicContact CD1-CD2 3.49Å; Y25-L186 VanDerWaalsContact CD1-CD2 3.49Å; Y25-L186 HydrophobicContact CD1-CG 3.46Å; Y25-L186 VanDerWaalsContact CD1-CG 3.46Å; Y25-L186 HydrophobicContact CD2-CD1 3.67Å; Y25-L186 HydrophobicContact CD2-CD2 4.24Å; Y25-L186 HydrophobicContact CD2-CG 3.96Å; Y25-L186 HydrophobicContact CE1-CD2 3.4Å; Y25-L186 VanDerWaalsContact CE1-CD2 3.4Å; Y25-L186 HydrophobicContact CE1-CG 3.94Å; Y25-L186 HydrophobicContact CE2-CD1 4.15Å; Y25-L186 HydrophobicContact CE2-CD2 4.17Å; Y25-L186 HydrophobicContact CE2-CG 4.39Å; Y25-L186 HydrophobicContact CG-CD1 3.65Å; Y25-L186 HydrophobicContact CG-CD2 3.91Å; Y25-L186 HydrophobicContact CG-CG 3.46Å; Y25-L186 VanDerWaalsContact CG-CG 3.46Å; L186-C209 WeakPolarHBondContact O-CB 3.49Å; L186-C209 PolarHBondContact O-N 2.83Å; L186-K212 HydrophobicContact CD2-CB 3.7Å; L186-K212 HydrophobicContact CD2-CD 4.44Å; L186-K212 HydrophobicContact CD2-CG 4.13Å; L186-L223 HydrophobicContact CB-CD2 4.5Å; L186-T226 HydrophobicContact CB-CG2 3.92Å; L186-T226 HydrophobicContact CD1-CG2 4.46Å; L186-T226 WeakPolarHBondContact CD1-OG1 3.16Å
187	A	92.1	Very high	88.6	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	172.1	179.3	0	0	0	0	0	109.7	T185 N207 F208 T226 E230	T185-A187 WeakPolarHBondContact CG2-O 3.44Å; A187-N207 WeakPolarHBondContact CA-O 3.49Å; A187-N207 WeakPolarHBondContact CB-O 3.39Å; A187-F208 HydrophobicContact CB-CD1 3.77Å; A187-F208 HydrophobicContact CB-CE1 4.17Å; A187-F208 HydrophobicContact CB-CG 4.41Å; A187-T226 HydrophobicContact CB-CG2 3.78Å; A187-E230 HydrophobicContact CB-CG 3.7Å
188	Y	92.7	Very high	88.8	Confident	12 Å²	12	30 Å²	30	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.5	168.7	56.4	-95.7	0	0	0	109.3	Q28 M30 K177 N207 E230	Q28-Y188 VanDerWaalsContact O-CA 3.27Å; Q28-Y188 WeakPolarHBondContact O-CA 3Å; Q28-Y188 WeakPolarHBondContact O-CB 3.44Å; M30-Y188 HydrophobicContact CB-CD2 4.47Å; M30-Y188 HydrophobicContact CG-CD2 3.75Å; M30-Y188 HydrophobicContact CG-CE2 4.19Å; K177-Y188 WeakPolarHBondContact CB-OH 3.5Å; Y188-N207 HydrophobicContact CD1-CB 4.35Å; Y188-N207 HydrophobicContact CD2-CB 4.07Å; Y188-N207 HydrophobicContact CE1-CB 3.83Å; Y188-N207 WeakPolarHBondContact CE1-ND2 3.36Å; Y188-N207 HydrophobicContact CE2-CB 3.51Å; Y188-N207 HydrophobicContact CG-CB 4.45Å; Y188-N207 PolarHBondContact N-O 2.94Å; Y188-N207 VanDerWaalsContact N-O 3.11Å; Y188-N207 PolarHBondContact O-N 3.18Å; Y188-N207 VanDerWaalsContact OH-CG 3.26Å; Y188-N207 PolarHBondContact OH-ND2 3.33Å; Y188-E230 VanDerWaalsContact C-OE2 3.26Å; Y188-E230 WeakPolarHBondContact CA-OE2 3.5Å
189	A	93.4	Very high	89.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	172.1	-179.8	0	0	0	0	0	113.5	L29 M30 A205 I206 E230 H233 A234	L29-A189 WeakPolarHBondContact CD2-O 3.38Å; M30-A189 PolarHBondContact N-O 3.17Å; A189-A205 WeakPolarHBondContact CA-O 3.46Å; A189-A205 WeakPolarHBondContact CB-O 3.37Å; A189-I206 HydrophobicContact CB-CB 4.09Å; A189-I206 HydrophobicContact CB-CG1 4.22Å; A189-E230 HydrophobicContact CB-CB 3.6Å; A189-E230 HydrophobicContact CB-CG 4.22Å; A189-E230 WeakPolarHBondContact CB-O 3.28Å; A189-E230 WeakPolarHBondContact CB-OE2 3.42Å; A189-E230 PolarHBondContact N-OE2 3.18Å; A189-H233 HydrophobicContact CB-CB 4.41Å; A189-A234 HydrophobicContact CB-CB 4.48Å
190	G	93.3	Very high	90.2	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	160.4	177.4	0	0	0	0	0	112.7	M30 G204 A205	M30-G190 PolarHBondContact SD-N 3.31Å; M30-G190 VanDerWaalsContact SD-N 3.37Å; G190-G204 VanDerWaalsContact O-CA 3.24Å; G190-G204 WeakPolarHBondContact O-CA 3.33Å; G190-A205 PolarHBondContact N-O 3.13Å; G190-A205 VanDerWaalsContact N-O 3.11Å; G190-A205 PolarHBondContact O-N 2.03Å
191	P	95	Very high	90.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.3	170.7	27.9	-23.2	0	0	0	109.5	I33 M194 P201 H233 A234 N241	I33-P191 WeakPolarHBondContact CG2-O 3.26Å; P191-M194 HydrophobicContact CB-SD 4.04Å; P191-P201 HydrophobicContact CB-CB 4.03Å; P191-P201 HydrophobicContact CB-CG 4.21Å; P191-H233 WeakPolarHBondContact CD-O 3.47Å; P191-A234 WeakPolarHBondContact CB-O 3.48Å; P191-N241 WeakPolarHBondContact CG-ND2 3.38Å; P191-N241 WeakPolarHBondContact CG-OD1 3.38Å
192	C	93.2	Very high	91	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.02	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-30.5	173.5	60	0	0	0	0	112	N36 C131 M203	N36-C192 WeakPolarHBondContact CB-O 3.33Å; N36-C192 PolarHBondContact N-O 2.9Å; C131-C192 HydrophobicContact CB-CB 3.95Å; C131-C192 WeakPolarHBondContact CB-SG 3.27Å; C131-C192 WeakPolarHBondContact SG-CB 3.18Å; C131-C192 CovalentContact SG-SG 2Å; C131-C192 PolarHBondContact SG-SG 3.03Å; C192-M203 PolarHBondContact N-O 3.22Å; C192-M203 VanDerWaalsContact SG-CB 3.57Å; C192-M203 PolarHBondContact SG-O 2.82Å; C192-M203 VanDerWaalsContact SG-O 3.38Å
193	E	94.8	Very high	91.9	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.019	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	-178.4	-64.8	-64.5	155.1	0	0	110.6	N36 I101 C131 I202 M203	N36-E193 VanDerWaalsContact CB-CD 3.41Å; N36-E193 WeakPolarHBondContact CB-OE1 3.19Å; N36-E193 WeakPolarHBondContact CB-OE2 3.38Å; N36-E193 PolarHBondContact ND2-OE1 3.06Å; N36-E193 VanDerWaalsContact ND2-OE1 3.08Å; I101-E193 HydrophobicContact CD1-CB 3.94Å; I101-E193 HydrophobicContact CD1-CG 3.76Å; I101-E193 HydrophobicContact CG1-CG 4.37Å; I101-E193 HydrophobicContact CG2-CG 4.11Å; C131-E193 HydrophobicContact CB-CG 4.33Å; E193-I202 HydrophobicContact CB-CD1 4.38Å; E193-I202 HydrophobicContact CB-CG1 3.85Å; E193-I202 WeakPolarHBondContact O-CG1 3.45Å; E193-I202 PolarHBondContact O-N 3.23Å; E193-M203 HydrophobicContact CB-CB 3.82Å; E193-M203 HydrophobicContact CB-CG 3.97Å; E193-M203 HydrophobicContact CG-CB 4.11Å; E193-M203 HydrophobicContact CG-CG 4.21Å; E193-M203 HydrophobicContact CG-SD 4.23Å; E193-M203 PolarHBondContact N-O 2.88Å; E193-M203 PolarHBondContact O-N 3.39Å
194	M	93.9	Very high	92.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.7	-178.9	-53.7	-60.1	-94.4	0	0	109.9	M35 N36 F37 G38 P191 D199 R200 P201 N241 L244	M35-M194 HydrophobicContact CB-CG 4.4Å; M35-M194 HydrophobicContact SD-CE 4.17Å; N36-M194 WeakPolarHBondContact O-CB 3.44Å; N36-M194 WeakPolarHBondContact O-CG 3.31Å; N36-M194 PolarHBondContact O-N 3.25Å; F37-M194 CarbonylContact C-O 3.57Å; F37-M194 VanDerWaalsContact CA-O 3.26Å; F37-M194 WeakPolarHBondContact CA-O 3.39Å; F37-M194 HydrophobicContact CD1-CB 3.45Å; F37-M194 VanDerWaalsContact CD1-CB 3.45Å; F37-M194 HydrophobicContact CD1-CG 4.41Å; F37-M194 HydrophobicContact CE1-CB 3.49Å; F37-M194 VanDerWaalsContact CE1-CB 3.49Å; F37-M194 HydrophobicContact CE1-CG 4.11Å; F37-M194 HydrophobicContact CG-CB 4.26Å; F37-M194 HydrophobicContact CZ-CB 4.33Å; G38-M194 PolarHBondContact N-O 2.86Å; P191-M194 HydrophobicContact CB-SD 4.04Å; M194-D199 WeakPolarHBondContact CE-O 2.96Å; M194-R200 CarbonylContact C-O 3.6Å; M194-P201 HydrophobicContact CE-CG 3.78Å; M194-P201 HydrophobicContact SD-CB 4.01Å; M194-P201 HydrophobicContact SD-CG 3.69Å; M194-N241 WeakPolarHBondContact CE-ND2 3.22Å; M194-L244 HydrophobicContact CE-CB 4.39Å; M194-L244 HydrophobicContact CE-CD1 3.33Å; M194-L244 HydrophobicContact CE-CG 4.49Å; M194-L244 HydrophobicContact CG-CD1 4.22Å
195	H	93.6	Very high	93.2	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.053	C	C	.	.			trans	-63.1	131.6	175.5	-168.2	-81.3	0	0	0	110	P95 L99 T197 T198 D199 R200 I202	P95-H195 WeakPolarHBondContact CG-NE2 3.43Å; L99-H195 WeakPolarHBondContact CD2-CD2 3.45Å; L99-H195 WeakPolarHBondContact CD2-NE2 3.34Å; H195-T197 VanDerWaalsContact C-N 3.27Å; H195-T197 PolarHBondContact CE1-OG1 2.78Å; H195-T197 PolarHBondContact ND1-N 2.77Å; H195-T197 PolarHBondContact ND1-OG1 2.71Å; H195-T197 PolarHBondContact O-N 3.35Å; H195-T197 VanDerWaalsContact O-N 3.14Å; H195-T198 WeakPolarHBondContact CB-OG1 3.39Å; H195-T198 PolarHBondContact ND1-N 3.28Å; H195-T198 PolarHBondContact ND1-OG1 3.43Å; H195-T198 VanDerWaalsContact ND1-OG1 3.12Å; H195-D199 VanDerWaalsContact O-CA 3.3Å; H195-D199 WeakPolarHBondContact O-CA 3.43Å; H195-D199 PolarHBondContact O-N 3.49Å; H195-R200 HydrophobicContact CB-CB 4.23Å; H195-R200 WeakPolarHBondContact CB-O 3.45Å; H195-R200 PolarHBondContact N-O 3.23Å; H195-I202 HydrophobicContact CB-CG2 3.75Å
196	P	89.5	Confident	93.6	Very high	33 Å²	33	9 Å²	9	21%	0.214	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36.4	-171.2	15	-28.6	0	0	0	114.2	G38 L40 K262	G38-P196 WeakPolarHBondContact O-CB 3.1Å; G38-P196 WeakPolarHBondContact O-CD 3.44Å; G38-P196 VanDerWaalsContact O-CG 3.22Å; G38-P196 WeakPolarHBondContact O-CG 3.44Å; L40-P196 HydrophobicContact CD2-CG 4.01Å; L40-P196 HydrophobicContact CG-CG 3.85Å; P196-K262 PolarHBondContact O-NZ 3.41Å
197	T	88	Confident	93.9	Very high	75 Å²	75	8.7 Å²	8.7	46%	0.46	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-23.2	-172.3	58.9	0	0	0	0	115.3	L40 H195 R246	L40-T197 HydrophobicContact CD1-CG2 4.23Å; H195-T197 VanDerWaalsContact C-N 3.27Å; H195-T197 PolarHBondContact CE1-OG1 2.78Å; H195-T197 PolarHBondContact ND1-N 2.77Å; H195-T197 PolarHBondContact ND1-OG1 2.71Å; H195-T197 PolarHBondContact O-N 3.35Å; H195-T197 VanDerWaalsContact O-N 3.14Å; T197-R246 VanDerWaalsContact O-CZ 3.26Å; T197-R246 PolarHBondContact O-NH2 3.33Å
198	T	91.8	Very high	94.1	Very high	40 Å²	40	8.7 Å²	8.7	25%	0.245	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-9.7	-177.3	65.2	0	0	0	0	111.5	H195 R200 R246	H195-T198 WeakPolarHBondContact CB-OG1 3.39Å; H195-T198 PolarHBondContact ND1-N 3.28Å; H195-T198 PolarHBondContact ND1-OG1 3.43Å; H195-T198 VanDerWaalsContact ND1-OG1 3.12Å; T198-R200 PolarHBondContact O-N 3.28Å; T198-R246 VanDerWaalsContact O-CD 3.26Å; T198-R246 WeakPolarHBondContact O-CD 3.1Å; T198-R246 PolarHBondContact O-NE 2.95Å
199	D	94.1	Very high	94.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.			trans	57	11.2	-176.3	-47.3	-61.4	0	0	0	115	M194 H195 L244 R246 R256 K262	M194-D199 WeakPolarHBondContact CE-O 2.96Å; H195-D199 VanDerWaalsContact O-CA 3.3Å; H195-D199 WeakPolarHBondContact O-CA 3.43Å; H195-D199 PolarHBondContact O-N 3.49Å; D199-L244 HydrophobicContact CB-CB 3.86Å; D199-L244 HydrophobicContact CB-CD1 4.4Å; D199-L244 HydrophobicContact CB-CD2 4.22Å; D199-L244 HydrophobicContact CB-CG 4.39Å; D199-R246 IonicContact OD2-CZ 3.42Å; D199-R246 VanDerWaalsContact OD2-CZ 3.22Å; D199-R246 IonicContact OD2-NE 2.7Å; D199-R246 PolarHBondContact OD2-NE 2.84Å; D199-R246 IonicContact OD2-NH2 2.98Å; D199-R246 PolarHBondContact OD2-NH2 3.31Å; D199-R256 IonicContact OD2-CZ 3.96Å; D199-R256 IonicContact OD2-NE 3.12Å; D199-R256 IonicContact OD2-NH2 3.34Å; D199-R256 PolarHBondContact OD2-NH2 3.08Å; D199-K262 IonicContact OD1-NZ 3.47Å; D199-K262 PolarHBondContact OD1-NZ 2.7Å
200	R	95.2	Very high	94.2	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.011	6%	0.058	C	C	.	.			trans	-63.6	135.1	173.3	172.9	178.1	79.3	77.6	-7.3	110.2	P165 M194 H195 T198 I202 W368 W369	P165-R200 PolarHBondContact O-NH2 2.82Å; M194-R200 CarbonylContact C-O 3.6Å; H195-R200 HydrophobicContact CB-CB 4.23Å; H195-R200 WeakPolarHBondContact CB-O 3.45Å; H195-R200 PolarHBondContact N-O 3.23Å; T198-R200 PolarHBondContact O-N 3.28Å; R200-I202 WeakPolarHBondContact O-CG2 3.45Å; R200-I202 PolarHBondContact O-N 3.01Å; R200-W368 HydrophobicContact CB-CB 3.88Å; R200-W368 HydrophobicContact CB-CG 3.82Å; R200-W368 HydrophobicContact CG-CB 3.82Å; R200-W368 HydrophobicContact CG-CG 4.17Å; R200-W369 HydrophobicContact CG-CH2 4.24Å; R200-W369 HydrophobicContact CG-CZ2 3.96Å
201	P	95.9	Very high	94.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	124.7	166.1	-30	39.8	0	0	0	112.7	Y168 P191 M194 M235 W368	Y168-P201 WeakPolarHBondContact CD2-O 3.36Å; Y168-P201 HydrophobicContact CE2-CB 3.99Å; Y168-P201 WeakPolarHBondContact CE2-O 3.32Å; P191-P201 HydrophobicContact CB-CB 4.03Å; P191-P201 HydrophobicContact CB-CG 4.21Å; M194-P201 HydrophobicContact CE-CG 3.78Å; M194-P201 HydrophobicContact SD-CB 4.01Å; M194-P201 HydrophobicContact SD-CG 3.69Å; P201-M235 WeakPolarHBondContact CG-O 3.5Å; P201-W368 HydrophobicContact CG-CE3 4.39Å; P201-W368 HydrophobicContact CG-CZ3 4.28Å
202	I	95.8	Very high	94	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-22.1	-179.1	61.3	175.5	0	0	0	112.9	L99 I101 F163 Y168 V169 E193 H195 R200	L99-I202 HydrophobicContact CD1-CB 4.23Å; L99-I202 HydrophobicContact CD1-CD1 4.38Å; L99-I202 HydrophobicContact CD1-CG2 3.88Å; I101-I202 HydrophobicContact CD1-CD1 4.04Å; F163-I202 HydrophobicContact CE2-CB 4.2Å; F163-I202 HydrophobicContact CZ-CB 4.2Å; F163-I202 HydrophobicContact CZ-CD1 4.05Å; F163-I202 HydrophobicContact CZ-CG1 4.31Å; Y168-I202 WeakPolarHBondContact CA-O 3.37Å; V169-I202 PolarHBondContact N-O 3.34Å; E193-I202 HydrophobicContact CB-CD1 4.38Å; E193-I202 HydrophobicContact CB-CG1 3.85Å; E193-I202 WeakPolarHBondContact O-CG1 3.45Å; E193-I202 PolarHBondContact O-N 3.23Å; H195-I202 HydrophobicContact CB-CG2 3.75Å; R200-I202 WeakPolarHBondContact O-CG2 3.45Å; R200-I202 PolarHBondContact O-N 3.01Å
203	M	96.6	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.4	166.2	-50.2	-166.6	166.3	0	0	111	I101 C131 V136 Y140 F163 Y168 V169 F171 C192 E193	I101-M203 HydrophobicContact CD1-CE 3.66Å; I101-M203 HydrophobicContact CD1-CG 4.18Å; I101-M203 HydrophobicContact CD1-SD 3.85Å; I101-M203 HydrophobicContact CG1-CE 3.2Å; I101-M203 HydrophobicContact CG1-SD 3.59Å; I101-M203 VanDerWaalsContact CG1-SD 3.59Å; C131-M203 HydrophobicContact CB-SD 4.48Å; V136-M203 HydrophobicContact CG1-CE 4.12Å; V136-M203 HydrophobicContact CG1-SD 4.48Å; V136-M203 HydrophobicContact CG2-SD 4.27Å; Y140-M203 HydrophobicContact CD2-CE 4.42Å; Y140-M203 HydrophobicContact CG-CE 4.47Å; F163-M203 HydrophobicContact CD1-CE 4.08Å; F163-M203 HydrophobicContact CE1-CE 3.38Å; F163-M203 HydrophobicContact CZ-CE 3.74Å; F163-M203 HydrophobicContact CZ-CG 4.31Å; Y168-M203 VanDerWaalsContact OH-C 3.32Å; V169-M203 HydrophobicContact CB-CE 3.76Å; V169-M203 HydrophobicContact CB-CG 3.89Å; V169-M203 HydrophobicContact CB-SD 4.01Å; V169-M203 HydrophobicContact CG1-CE 4.21Å; V169-M203 HydrophobicContact CG1-SD 4.33Å; V169-M203 HydrophobicContact CG2-CE 3.73Å; V169-M203 WeakPolarHBondContact O-CA 3.14Å; V169-M203 WeakPolarHBondContact O-CB 3.47Å; F171-M203 HydrophobicContact CE2-SD 4.09Å; C192-M203 PolarHBondContact N-O 3.22Å; C192-M203 VanDerWaalsContact SG-CB 3.57Å; C192-M203 PolarHBondContact SG-O 2.82Å; C192-M203 VanDerWaalsContact SG-O 3.38Å; E193-M203 HydrophobicContact CB-CB 3.82Å; E193-M203 HydrophobicContact CB-CG 3.97Å; E193-M203 HydrophobicContact CG-CB 4.11Å; E193-M203 HydrophobicContact CG-CG 4.21Å; E193-M203 HydrophobicContact CG-SD 4.23Å; E193-M203 PolarHBondContact N-O 2.88Å; E193-M203 PolarHBondContact O-N 3.39Å
204	G	96.3	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	179.9	174.3	0	0	0	0	0	111.3	Y168 V169 L170 F171 G190	Y168-G204 WeakPolarHBondContact OH-CA 3.48Å; Y168-G204 PolarHBondContact OH-N 3.19Å; Y168-G204 VanDerWaalsContact OH-N 3.1Å; V169-G204 PolarHBondContact O-N 2.79Å; L170-G204 WeakPolarHBondContact CA-O 3.09Å; F171-G204 PolarHBondContact N-O 3.19Å; G190-G204 VanDerWaalsContact O-CA 3.24Å; G190-G204 WeakPolarHBondContact O-CA 3.33Å
205	A	95.8	Very high	94	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	-177.6	0	0	0	0	0	110.8	M30 H134 F171 A189 G190	M30-A205 HydrophobicContact CE-CB 3.91Å; M30-A205 HydrophobicContact SD-CB 3.86Å; H134-A205 VanDerWaalsContact CD2-CB 3.47Å; H134-A205 WeakPolarHBondContact CD2-CB 3.09Å; H134-A205 VanDerWaalsContact NE2-CB 3.27Å; H134-A205 WeakPolarHBondContact NE2-CB 3.24Å; F171-A205 HydrophobicContact CB-CB 4.26Å; F171-A205 CarbonylContact O-C 3.33Å; F171-A205 WeakPolarHBondContact O-CA 3.47Å; A189-A205 WeakPolarHBondContact CA-O 3.46Å; A189-A205 WeakPolarHBondContact CB-O 3.37Å; G190-A205 PolarHBondContact N-O 3.13Å; G190-A205 VanDerWaalsContact N-O 3.11Å; G190-A205 PolarHBondContact O-N 2.03Å
206	I	95.6	Very high	94	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.6	169.3	-176.2	170.4	0	0	0	108.5	L170 F171 I172 S173 A189 F208 E230	L170-I206 HydrophobicContact CD1-CG2 4.33Å; L170-I206 HydrophobicContact CD2-CG2 4.36Å; L170-I206 HydrophobicContact CG-CG2 4.37Å; F171-I206 PolarHBondContact O-N 3.4Å; I172-I206 WeakPolarHBondContact CA-O 3.44Å; I172-I206 HydrophobicContact CB-CG2 4.14Å; I172-I206 HydrophobicContact CG1-CG2 3.76Å; I172-I206 HydrophobicContact CG2-CG2 4.07Å; S173-I206 PolarHBondContact N-O 2.94Å; S173-I206 PolarHBondContact OG-O 2.89Å; S173-I206 VanDerWaalsContact OG-O 3.12Å; A189-I206 HydrophobicContact CB-CB 4.09Å; A189-I206 HydrophobicContact CB-CG1 4.22Å; I206-F208 HydrophobicContact CD1-CD2 4.39Å; I206-F208 HydrophobicContact CD1-CE1 3.89Å; I206-F208 HydrophobicContact CD1-CE2 3.53Å; I206-F208 HydrophobicContact CD1-CZ 3.24Å; I206-F208 HydrophobicContact CG1-CD2 4.26Å; I206-F208 HydrophobicContact CG1-CE2 3.82Å; I206-F208 HydrophobicContact CG1-CZ 3.99Å; I206-F208 HydrophobicContact CG2-CE2 4.13Å; I206-E230 HydrophobicContact CD1-CB 3.32Å; I206-E230 HydrophobicContact CD1-CG 3.82Å; I206-E230 HydrophobicContact CG1-CB 3.89Å; I206-E230 HydrophobicContact CG1-CG 4.16Å
207	N	95.3	Very high	94	Very high	3 Å²	3	29 Å²	29	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.4	173.2	-178.6	88.7	0	0	0	109.7	S173 D175 C180 A187 Y188	S173-N207 WeakPolarHBondContact O-CA 3.44Å; S173-N207 WeakPolarHBondContact OG-CA 3.25Å; S173-N207 WeakPolarHBondContact OG-CB 3.41Å; S173-N207 PolarHBondContact OG-OD1 2.99Å; S173-N207 VanDerWaalsContact OG-OD1 3.07Å; D175-N207 WeakPolarHBondContact CA-OD1 3.48Å; D175-N207 WeakPolarHBondContact CB-OD1 3.25Å; D175-N207 PolarHBondContact N-OD1 3.07Å; D175-N207 PolarHBondContact O-ND2 3.41Å; D175-N207 PolarHBondContact O-OD1 3.31Å; C180-N207 PolarHBondContact SG-ND2 2.93Å; A187-N207 WeakPolarHBondContact CA-O 3.49Å; A187-N207 WeakPolarHBondContact CB-O 3.39Å; Y188-N207 HydrophobicContact CD1-CB 4.35Å; Y188-N207 HydrophobicContact CD2-CB 4.07Å; Y188-N207 HydrophobicContact CE1-CB 3.83Å; Y188-N207 WeakPolarHBondContact CE1-ND2 3.36Å; Y188-N207 HydrophobicContact CE2-CB 3.51Å; Y188-N207 HydrophobicContact CG-CB 4.45Å; Y188-N207 PolarHBondContact N-O 2.94Å; Y188-N207 VanDerWaalsContact N-O 3.11Å; Y188-N207 PolarHBondContact O-N 3.18Å; Y188-N207 VanDerWaalsContact OH-CG 3.26Å; Y188-N207 PolarHBondContact OH-ND2 3.33Å
208	F	95.7	Very high	93.9	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.8	172.5	-66.5	-82.2	0	0	0	110.3	F73 V78 I172 S173 S174 A187 I206 P210 M213 A227	F73-F208 HydrophobicContact CE1-CD1 4.15Å; F73-F208 AromaticContact CE1-CD2 3.81Å; F73-F208 HydrophobicContact CE1-CD2 3.81Å; F73-F208 HydrophobicContact CE1-CE1 4.17Å; F73-F208 AromaticContact CE1-CE2 3.83Å; F73-F208 HydrophobicContact CE1-CE2 3.83Å; F73-F208 AromaticContact CE1-CG 3.96Å; F73-F208 HydrophobicContact CE1-CG 3.96Å; F73-F208 AromaticContact CE1-CZ 3.99Å; F73-F208 HydrophobicContact CE1-CZ 3.99Å; F73-F208 HydrophobicContact CZ-CB 4.44Å; F73-F208 AromaticContact CZ-CD1 3.64Å; F73-F208 HydrophobicContact CZ-CD1 3.64Å; F73-F208 HydrophobicContact CZ-CD2 4.14Å; F73-F208 AromaticContact CZ-CE1 3.78Å; F73-F208 HydrophobicContact CZ-CE1 3.78Å; F73-F208 HydrophobicContact CZ-CE2 4.26Å; F73-F208 AromaticContact CZ-CG 3.81Å; F73-F208 HydrophobicContact CZ-CG 3.81Å; F73-F208 HydrophobicContact CZ-CZ 4.07Å; V78-F208 HydrophobicContact CG2-CE2 4.09Å; V78-F208 HydrophobicContact CG2-CZ 4.38Å; I172-F208 HydrophobicContact CG2-CD2 4.15Å; I172-F208 HydrophobicContact CG2-CE2 4.02Å; S173-F208 PolarHBondContact O-N 3.4Å; S174-F208 VanDerWaalsContact CA-O 3.22Å; S174-F208 WeakPolarHBondContact CA-O 3.07Å; S174-F208 WeakPolarHBondContact CB-O 3.38Å; S174-F208 PolarHBondContact OG-O 3.47Å; A187-F208 HydrophobicContact CB-CD1 3.77Å; A187-F208 HydrophobicContact CB-CE1 4.17Å; A187-F208 HydrophobicContact CB-CG 4.41Å; I206-F208 HydrophobicContact CD1-CD2 4.39Å; I206-F208 HydrophobicContact CD1-CE1 3.89Å; I206-F208 HydrophobicContact CD1-CE2 3.53Å; I206-F208 HydrophobicContact CD1-CZ 3.24Å; I206-F208 HydrophobicContact CG1-CD2 4.26Å; I206-F208 HydrophobicContact CG1-CE2 3.82Å; I206-F208 HydrophobicContact CG1-CZ 3.99Å; I206-F208 HydrophobicContact CG2-CE2 4.13Å; F208-P210 WeakPolarHBondContact O-CD 3.41Å; F208-M213 HydrophobicContact CB-CG 4.17Å; F208-M213 HydrophobicContact CB-SD 4.42Å; F208-A227 HydrophobicContact CE1-CB 4.1Å; F208-A227 HydrophobicContact CZ-CB 3.84Å
209	C	94.4	Very high	93.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.117	C	C	.	.			trans	-66.6	120.2	179.6	-63.1	0	0	0	0	110.5	C180 T185 L186 Q211 K212 M213	C180-C209 WeakPolarHBondContact CA-SG 3.45Å; C180-C209 HydrophobicContact CB-CB 3.68Å; C180-C209 WeakPolarHBondContact CB-SG 3.43Å; C180-C209 WeakPolarHBondContact SG-CA 3.4Å; C180-C209 WeakPolarHBondContact SG-CB 3.36Å; C180-C209 CovalentContact SG-SG 2.04Å; C180-C209 PolarHBondContact SG-SG 3.49Å; T185-C209 PolarHBondContact O-SG 3.23Å; L186-C209 WeakPolarHBondContact O-CB 3.49Å; L186-C209 PolarHBondContact O-N 2.83Å; C209-Q211 VanDerWaalsContact C-N 3.29Å; C209-Q211 PolarHBondContact O-N 3.1Å; C209-K212 HydrophobicContact CB-CB 4.25Å; C209-K212 HydrophobicContact CB-CG 4.1Å; C209-K212 PolarHBondContact O-N 2.87Å; C209-M213 PolarHBondContact O-N 3.36Å
210	P	94.8	Very high	93.7	Very high	27 Å²	27	26.4 Å²	26.4	18%	0.175	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-59.8	-37.7	-166.4	17.3	-28.8	0	0	0	113	H67 S174 N176 F208 K212 M213	H67-P210 PolarHBondContact NE2-O 3.07Å; S174-P210 WeakPolarHBondContact OG-CA 3.19Å; S174-P210 WeakPolarHBondContact OG-CB 3.12Å; N176-P210 HydrophobicContact CB-CG 4.05Å; F208-P210 WeakPolarHBondContact O-CD 3.41Å; P210-K212 PolarHBondContact O-N 3.36Å; P210-M213 PolarHBondContact O-N 3.36Å
211	Q	92.2	Very high	93.5	Very high	121 Å²	121	27.9 Å²	27.9	57%	0.565	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-74.7	-6.4	179.9	-48.7	85.9	-8.7	0	0	113.7	N176 C209	N176-Q211 VanDerWaalsContact CG-NE2 3.27Å; N176-Q211 PolarHBondContact ND2-NE2 2.89Å; N176-Q211 PolarHBondContact OD1-NE2 2.93Å; C209-Q211 VanDerWaalsContact C-N 3.29Å; C209-Q211 PolarHBondContact O-N 3.1Å
212	K	91.7	Very high	93.3	Very high	68 Å²	68	28.3 Å²	28.3	30%	0.296	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-111.6	-2.2	-179.2	-57.8	-59.2	-172.5	177.2	0	112.7	G183 L186 C209 P210 E214	G183-K212 WeakPolarHBondContact O-CE 3.49Å; G183-K212 PolarHBondContact O-NZ 3.31Å; L186-K212 HydrophobicContact CD2-CB 3.7Å; L186-K212 HydrophobicContact CD2-CD 4.44Å; L186-K212 HydrophobicContact CD2-CG 4.13Å; C209-K212 HydrophobicContact CB-CB 4.25Å; C209-K212 HydrophobicContact CB-CG 4.1Å; C209-K212 PolarHBondContact O-N 2.87Å; P210-K212 PolarHBondContact O-N 3.36Å; K212-E214 PolarHBondContact O-N 3.05Å
213	M	94.5	Very high	93.2	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.069	14%	0.139	C	C	.	.			trans	-68.9	126.4	175.3	-68.7	-179.2	66.5	0	0	109.9	M64 H67 L69 F73 S174 F208 C209 P210	M64-M213 HydrophobicContact CE-CE 3.68Å; M64-M213 HydrophobicContact SD-CE 3.73Å; M64-M213 HydrophobicContact SD-SD 4.18Å; H67-M213 HydrophobicContact CB-SD 4.47Å; L69-M213 HydrophobicContact CD1-CB 4.37Å; L69-M213 VanDerWaalsContact CD1-O 3.32Å; L69-M213 WeakPolarHBondContact CD1-O 3.28Å; F73-M213 HydrophobicContact CB-CE 3.95Å; F73-M213 HydrophobicContact CD1-CE 3.67Å; F73-M213 HydrophobicContact CD2-CB 4.46Å; F73-M213 HydrophobicContact CD2-CE 3.71Å; F73-M213 HydrophobicContact CE1-CE 4.01Å; F73-M213 HydrophobicContact CE2-CB 4.34Å; F73-M213 HydrophobicContact CE2-CE 4.07Å; F73-M213 HydrophobicContact CE2-CG 4.29Å; F73-M213 HydrophobicContact CG-CE 3.48Å; F73-M213 VanDerWaalsContact CG-CE 3.48Å; F73-M213 HydrophobicContact CZ-CE 4.2Å; S174-M213 PolarHBondContact OG-SD 3.23Å; S174-M213 VanDerWaalsContact OG-SD 3.33Å; F208-M213 HydrophobicContact CB-CG 4.17Å; F208-M213 HydrophobicContact CB-SD 4.42Å; C209-M213 PolarHBondContact O-N 3.36Å; P210-M213 PolarHBondContact O-N 3.36Å
214	E	93.3	Very high	93.2	Very high	76 Å²	76	30.1 Å²	30.1	36%	0.355	15%	0.147	S	C	.	.			trans	-143.7	147.3	-177.4	-166.4	172.8	174.8	0	0	109.1	K212 G219 L223	K212-E214 PolarHBondContact O-N 3.05Å; E214-G219 WeakPolarHBondContact OE2-CA 3.1Å; E214-L223 HydrophobicContact CB-CD1 3.67Å; E214-L223 WeakPolarHBondContact O-CD1 3.41Å
215	I	94.8	Very high	93.2	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.056	15%	0.15	C	C	.	.			trans	-129.4	-0.2	-179	56.6	177	0	0	0	112.3	L69 R72 F73 K220	L69-I215 HydrophobicContact CB-CD1 4.46Å; L69-I215 HydrophobicContact CB-CG2 4.42Å; L69-I215 HydrophobicContact CD1-CG1 4.36Å; L69-I215 HydrophobicContact CD2-CD1 3.78Å; L69-I215 HydrophobicContact CD2-CG1 4.24Å; L69-I215 HydrophobicContact CG-CD1 4.5Å; R72-I215 HydrophobicContact CB-CD1 3.69Å; R72-I215 HydrophobicContact CB-CG2 4.27Å; R72-I215 HydrophobicContact CG-CD1 4.19Å; F73-I215 HydrophobicContact CB-CG2 4.13Å; F73-I215 HydrophobicContact CD2-CG2 4.12Å; I215-K220 WeakPolarHBondContact O-CD 3.24Å
216	E	92.6	Very high	93.1	Very high	103 Å²	103	30.3 Å²	30.3	48%	0.481	15%	0.15	S	C	.	.	S	Bend	trans	-102.4	153.5	173.9	-57.4	-52.7	143.1	0	0	109.5	R72 G219 K220	R72-E216 IonicContact CZ-OE1 3.48Å; R72-E216 IonicContact NH1-OE1 2.87Å; R72-E216 PolarHBondContact NH1-OE1 3.48Å; R72-E216 IonicContact NH2-OE1 2.8Å; R72-E216 PolarHBondContact NH2-OE1 3.06Å; E216-G219 PolarHBondContact O-N 3.04Å; E216-G219 VanDerWaalsContact O-N 3.07Å; E216-K220 PolarHBondContact O-N 3.34Å
217	E	89.9	Confident	93.2	Very high	58 Å²	58	30.2 Å²	30.2	27%	0.271	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	145.2	175.1	-64.1	-58.3	156.8	0	0	110.4	T221 H481 L483	E217-T221 VanDerWaalsContact CD-OG1 3.3Å; E217-T221 PolarHBondContact OE1-OG1 3.12Å; E217-T221 WeakPolarHBondContact OE2-CB 2.99Å; E217-T221 PolarHBondContact OE2-N 3.44Å; E217-T221 PolarHBondContact OE2-OG1 3.47Å; E217-H481 IonicContact OE2-CE1 3.27Å; E217-H481 IonicContact OE2-NE2 2.95Å; E217-L483 HydrophobicContact CB-CB 4.34Å; E217-L483 HydrophobicContact CB-CD1 3.96Å; E217-L483 HydrophobicContact CB-CD2 4.03Å; E217-L483 HydrophobicContact CB-CG 4.32Å
218	P	86	Confident	93.3	Very high	12 Å²	12	31 Å²	31	8%	0.078	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.8	-8.1	5.4	35	-37	0	0	0	114.7	K220 T221 M222 K468 M476 L483	P218-K220 VanDerWaalsContact C-N 3.3Å; P218-K220 PolarHBondContact O-N 3.28Å; P218-T221 PolarHBondContact O-N 3.25Å; P218-M222 PolarHBondContact O-N 3.29Å; P218-K468 HydrophobicContact CB-CB 4.26Å; P218-K468 HydrophobicContact CG-CB 3.93Å; P218-K468 HydrophobicContact CG-CG 4.42Å; P218-M476 HydrophobicContact CB-CG 3.5Å; P218-M476 VanDerWaalsContact CB-CG 3.5Å; P218-M476 HydrophobicContact CB-SD 3.44Å; P218-M476 WeakPolarHBondContact CB-SD 3.36Å; P218-L483 HydrophobicContact CB-CD2 4.04Å; P218-L483 HydrophobicContact CG-CD2 4.45Å
219	G	88.8	Confident	93.4	Very high	3 Å²	3	30.9 Å²	30.9	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-34.7	-173.7	0	0	0	0	0	113.8	E214 E216 M222 L223	E214-G219 WeakPolarHBondContact OE2-CA 3.1Å; E216-G219 PolarHBondContact O-N 3.04Å; E216-G219 VanDerWaalsContact O-N 3.07Å; G219-M222 WeakPolarHBondContact O-CB 3.48Å; G219-M222 PolarHBondContact O-N 2.84Å; G219-L223 WeakPolarHBondContact O-CB 3.24Å; G219-L223 WeakPolarHBondContact O-CG 3.5Å; G219-L223 PolarHBondContact O-N 2.99Å
220	K	92.8	Very high	93.5	Very high	47 Å²	47	31 Å²	31	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-57.2	-50.3	175.3	176.2	174.7	170.8	174.9	0	112.5	E76 I215 E216 P218 M222 L223 I224	E76-K220 IonicContact OE2-NZ 3.88Å; E76-K220 PolarHBondContact OE2-NZ 3.21Å; I215-K220 WeakPolarHBondContact O-CD 3.24Å; E216-K220 PolarHBondContact O-N 3.34Å; P218-K220 VanDerWaalsContact C-N 3.3Å; P218-K220 PolarHBondContact O-N 3.28Å; K220-M222 VanDerWaalsContact C-N 3.27Å; K220-M222 PolarHBondContact O-N 3.34Å; K220-L223 PolarHBondContact O-N 2.96Å; K220-I224 HydrophobicContact CG-CD1 4.02Å; K220-I224 WeakPolarHBondContact O-CG1 3.14Å; K220-I224 PolarHBondContact O-N 2.04Å
221	T	91.7	Very high	93.7	Very high	33 Å²	33	29.9 Å²	29.9	20%	0.202	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-42.7	177.1	-68.2	0	0	0	0	111.6	E217 P218 I224 G225 M476 H481	E217-T221 VanDerWaalsContact CD-OG1 3.3Å; E217-T221 PolarHBondContact OE1-OG1 3.12Å; E217-T221 WeakPolarHBondContact OE2-CB 2.99Å; E217-T221 PolarHBondContact OE2-N 3.44Å; E217-T221 PolarHBondContact OE2-OG1 3.47Å; P218-T221 PolarHBondContact O-N 3.25Å; T221-I224 PolarHBondContact O-N 3.25Å; T221-G225 PolarHBondContact O-N 2.89Å; T221-M476 HydrophobicContact CG2-CE 3.88Å; T221-H481 PolarHBondContact OG1-NE2 2.91Å
222	M	91.2	Very high	93.9	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.044	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-40.7	178	-60	-178.4	69.3	0	0	112.3	Y25 P218 G219 K220 G225 T226 K468	Y25-M222 HydrophobicContact CD2-CE 3.6Å; Y25-M222 HydrophobicContact CE2-CE 3.39Å; Y25-M222 HydrophobicContact CE2-SD 4.46Å; P218-M222 PolarHBondContact O-N 3.29Å; G219-M222 WeakPolarHBondContact O-CB 3.48Å; G219-M222 PolarHBondContact O-N 2.84Å; K220-M222 VanDerWaalsContact C-N 3.27Å; K220-M222 PolarHBondContact O-N 3.34Å; M222-G225 PolarHBondContact O-N 3.12Å; M222-T226 WeakPolarHBondContact O-CB 3.32Å; M222-T226 PolarHBondContact O-N 2.6Å; M222-T226 PolarHBondContact O-OG1 2.99Å; M222-K468 HydrophobicContact CE-CD 4.26Å; M222-K468 HydrophobicContact SD-CD 3.49Å; M222-K468 WeakPolarHBondContact SD-CD 3.23Å
223	L	94.2	Very high	94.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.105	C	C	.	.	H	α-helix	trans	-73.8	-30.1	-179.4	-77.4	160.2	0	0	0	113.1	F73 V77 L186 E214 G219 K220 T226 A227	F73-L223 HydrophobicContact CE2-CD1 4.17Å; V77-L223 HydrophobicContact CG1-CB 4.05Å; V77-L223 WeakPolarHBondContact CG1-O 3.34Å; V77-L223 HydrophobicContact CG2-CB 4.47Å; L186-L223 HydrophobicContact CB-CD2 4.5Å; E214-L223 HydrophobicContact CB-CD1 3.67Å; E214-L223 WeakPolarHBondContact O-CD1 3.41Å; G219-L223 WeakPolarHBondContact O-CB 3.24Å; G219-L223 WeakPolarHBondContact O-CG 3.5Å; G219-L223 PolarHBondContact O-N 2.99Å; K220-L223 PolarHBondContact O-N 2.96Å; L223-T226 PolarHBondContact O-N 3.43Å; L223-A227 VanDerWaalsContact O-CB 3.32Å; L223-A227 WeakPolarHBondContact O-CB 3.01Å; L223-A227 PolarHBondContact O-N 3.03Å
224	I	95.8	Very high	94.3	Very high	34 Å²	34	20.2 Å²	20.2	17%	0.174	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-49.6	168.9	-69.2	165.5	0	0	0	109.7	V77 V80 K220 T221 T226 A227 I228	V77-I224 HydrophobicContact CB-CG1 4.47Å; V77-I224 HydrophobicContact CG1-CG1 4.31Å; V77-I224 HydrophobicContact CG2-CG1 4.39Å; V80-I224 HydrophobicContact CG1-CD1 4.49Å; V80-I224 HydrophobicContact CG1-CG2 3.98Å; K220-I224 HydrophobicContact CG-CD1 4.02Å; K220-I224 WeakPolarHBondContact O-CG1 3.14Å; K220-I224 PolarHBondContact O-N 2.04Å; T221-I224 PolarHBondContact O-N 3.25Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 3.49Å; I224-A227 PolarHBondContact O-N 3.22Å; I224-I228 HydrophobicContact CG2-CD1 4.07Å; I224-I228 WeakPolarHBondContact O-CG1 3.3Å; I224-I228 PolarHBondContact O-N 3.09Å
225	G	95.6	Very high	94.4	Very high	5 Å²	5	16.6 Å²	16.6	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-58.6	-44.4	175.8	0	0	0	0	0	112.2	T221 M222 A227 I228 H229 I344 T353	T221-G225 PolarHBondContact O-N 2.89Å; M222-G225 PolarHBondContact O-N 3.12Å; G225-A227 PolarHBondContact O-N 2.89Å; G225-I228 PolarHBondContact O-N 3.22Å; G225-H229 WeakPolarHBondContact O-CB 3.48Å; G225-H229 PolarHBondContact O-N 3.44Å; G225-I344 WeakPolarHBondContact O-CD1 3.28Å; G225-T353 WeakPolarHBondContact CA-OG1 3.47Å
226	T	95	Very high	94.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-59.1	-47.8	174.8	-56.4	0	0	0	0	111.3	L186 A187 M222 L223 I224 I228 H229 E230	L186-T226 HydrophobicContact CB-CG2 3.92Å; L186-T226 HydrophobicContact CD1-CG2 4.46Å; L186-T226 WeakPolarHBondContact CD1-OG1 3.16Å; A187-T226 HydrophobicContact CB-CG2 3.78Å; M222-T226 WeakPolarHBondContact O-CB 3.32Å; M222-T226 PolarHBondContact O-N 2.6Å; M222-T226 PolarHBondContact O-OG1 2.99Å; L223-T226 PolarHBondContact O-N 3.43Å; I224-T226 VanDerWaalsContact C-N 3.32Å; I224-T226 PolarHBondContact O-N 3.49Å; T226-I228 VanDerWaalsContact C-N 3.32Å; T226-I228 PolarHBondContact O-N 2.73Å; T226-H229 WeakPolarHBondContact O-CB 3.48Å; T226-H229 PolarHBondContact O-N 2.87Å; T226-E230 HydrophobicContact CG2-CG 4.14Å; T226-E230 WeakPolarHBondContact O-CB 3.5Å; T226-E230 VanDerWaalsContact O-CG 3.29Å; T226-E230 WeakPolarHBondContact O-CG 3.22Å; T226-E230 PolarHBondContact O-N 2.87Å
227	A	97.1	Very high	94.7	Very high	2 Å²	2	11.2 Å²	11.2	2%	0.017	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-39.3	179.3	0	0	0	0	0	112.3	V77 A81 F208 L223 I224 G225 L231	V77-A227 HydrophobicContact CG1-CB 4.14Å; A81-A227 HydrophobicContact CB-CB 3.53Å; F208-A227 HydrophobicContact CE1-CB 4.1Å; F208-A227 HydrophobicContact CZ-CB 3.84Å; L223-A227 VanDerWaalsContact O-CB 3.32Å; L223-A227 WeakPolarHBondContact O-CB 3.01Å; L223-A227 PolarHBondContact O-N 3.03Å; I224-A227 PolarHBondContact O-N 3.22Å; G225-A227 PolarHBondContact O-N 2.89Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 WeakPolarHBondContact O-CD1 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 2.85Å
228	I	98.1	Very high	94.8	Very high	18 Å²	18	8.4 Å²	8.4	9%	0.092	5%	0.046	C	C	.	.	H	α-helix	trans	-64.5	-44.3	174.8	-66.6	170.9	0	0	0	110.6	A81 F84 W85 I224 G225 T226 L231 G232 I344 V355	A81-I228 HydrophobicContact CB-CG1 3.68Å; F84-I228 HydrophobicContact CB-CD1 4.32Å; F84-I228 HydrophobicContact CD1-CG2 3.94Å; F84-I228 HydrophobicContact CE1-CG2 4.16Å; F84-I228 HydrophobicContact CG-CD1 4.24Å; W85-I228 HydrophobicContact CZ2-CG2 4.13Å; W85-I228 PolarHBondContact NE1-O 2.82Å; I224-I228 HydrophobicContact CG2-CD1 4.07Å; I224-I228 WeakPolarHBondContact O-CG1 3.3Å; I224-I228 PolarHBondContact O-N 3.09Å; G225-I228 PolarHBondContact O-N 3.22Å; T226-I228 VanDerWaalsContact C-N 3.32Å; T226-I228 PolarHBondContact O-N 2.73Å; I228-L231 PolarHBondContact O-N 3.38Å; I228-G232 PolarHBondContact O-N 3.35Å; I228-G232 VanDerWaalsContact O-N 3.08Å; I228-I344 HydrophobicContact CB-CD1 4.22Å; I228-I344 HydrophobicContact CG2-CD1 4.03Å; I228-I344 HydrophobicContact CG2-CG1 3.94Å; I228-V355 HydrophobicContact CG2-CG2 3.71Å
229	H	97.1	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.4	-52.5	176.2	173.4	104.8	0	0	0	112.1	C27 G225 T226 L231 G232 H233 H334 I344 A346	C27-H229 VanDerWaalsContact CB-NE2 3.31Å; C27-H229 WeakPolarHBondContact CB-NE2 3.46Å; C27-H229 PolarHBondContact SG-NE2 2.75Å; G225-H229 WeakPolarHBondContact O-CB 3.48Å; G225-H229 PolarHBondContact O-N 3.44Å; T226-H229 WeakPolarHBondContact O-CB 3.48Å; T226-H229 PolarHBondContact O-N 2.87Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.81Å; H229-G232 VanDerWaalsContact O-CA 3.26Å; H229-G232 WeakPolarHBondContact O-CA 3.5Å; H229-G232 PolarHBondContact O-N 3.33Å; H229-H233 AromaticContact CD2-CD2 3.68Å; H229-H233 AromaticContact CD2-NE2 3.69Å; H229-H233 AromaticContact CE1-NE2 3.79Å; H229-H233 AromaticContact NE2-CD2 3.53Å; H229-H233 AromaticContact NE2-NE2 3.03Å; H229-H233 PolarHBondContact NE2-NE2 3.46Å; H229-H233 PolarHBondContact O-N 2.77Å; H229-H233 VanDerWaalsContact O-N 3.17Å; H229-H334 AromaticContact CE1-CD2 3.61Å; H229-H334 AromaticContact CE1-NE2 3.74Å; H229-H334 AromaticContact NE2-CD2 3.87Å; H229-H334 AromaticContact NE2-NE2 3.53Å; H229-I344 HydrophobicContact CB-CD1 4.11Å; H229-I344 HydrophobicContact CB-CG1 4.21Å; H229-I344 PolarHBondContact ND1-O 2.84Å; H229-A346 PolarHBondContact CE1-O 2.88Å; H229-A346 VanDerWaalsContact CE1-O 3.31Å
230	E	96.9	Very high	95	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.014	7%	0.069	C	C	.	.	H	α-helix	trans	-62.7	-36.7	179.8	-70.4	-40.4	148.7	0	0	112.4	A187 Y188 A189 I206 T226 G232 H233 A234	A187-E230 HydrophobicContact CB-CG 3.7Å; Y188-E230 VanDerWaalsContact C-OE2 3.26Å; Y188-E230 WeakPolarHBondContact CA-OE2 3.5Å; A189-E230 HydrophobicContact CB-CB 3.6Å; A189-E230 HydrophobicContact CB-CG 4.22Å; A189-E230 WeakPolarHBondContact CB-O 3.28Å; A189-E230 WeakPolarHBondContact CB-OE2 3.42Å; A189-E230 PolarHBondContact N-OE2 3.18Å; I206-E230 HydrophobicContact CD1-CB 3.32Å; I206-E230 HydrophobicContact CD1-CG 3.82Å; I206-E230 HydrophobicContact CG1-CB 3.89Å; I206-E230 HydrophobicContact CG1-CG 4.16Å; T226-E230 HydrophobicContact CG2-CG 4.14Å; T226-E230 WeakPolarHBondContact O-CB 3.5Å; T226-E230 VanDerWaalsContact O-CG 3.29Å; T226-E230 WeakPolarHBondContact O-CG 3.22Å; T226-E230 PolarHBondContact O-N 2.87Å; E230-G232 PolarHBondContact O-N 3.48Å; E230-H233 WeakPolarHBondContact O-CB 3.32Å; E230-H233 PolarHBondContact O-N 3.42Å; E230-H233 IonicContact OE2-CD2 3.8Å; E230-A234 PolarHBondContact O-N 3.29Å
231	L	98	Very high	95	Very high	5 Å²	5	11.9 Å²	11.9	3%	0.026	6%	0.059	C	C	.	.	H	α-helix	trans	-62.9	-34.1	171	-75	168.6	0	0	0	111.7	F56 A81 L82 W85 L170 A227 I228 H229 H233 A234 M235	F56-L231 HydrophobicContact CE1-CD2 3.98Å; F56-L231 HydrophobicContact CZ-CD2 4.08Å; A81-L231 HydrophobicContact CB-CD1 3.8Å; L82-L231 HydrophobicContact CD2-CD1 3.8Å; L82-L231 HydrophobicContact CD2-CD2 3.88Å; W85-L231 VanDerWaalsContact CD1-CB 3.46Å; W85-L231 HydrophobicContact CG-CB 4.46Å; L170-L231 HydrophobicContact CD1-CD2 4.07Å; L170-L231 HydrophobicContact CD2-CD2 3.46Å; L170-L231 VanDerWaalsContact CD2-CD2 3.46Å; L170-L231 HydrophobicContact CG-CD2 4.42Å; A227-L231 WeakPolarHBondContact O-CB 3.43Å; A227-L231 WeakPolarHBondContact O-CD1 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.48Å; A227-L231 PolarHBondContact O-N 2.85Å; I228-L231 PolarHBondContact O-N 3.38Å; H229-L231 VanDerWaalsContact C-N 3.3Å; H229-L231 PolarHBondContact O-N 2.81Å; L231-H233 VanDerWaalsContact C-N 3.35Å; L231-H233 PolarHBondContact O-N 2.81Å; L231-A234 PolarHBondContact O-N 2.94Å; L231-M235 HydrophobicContact CB-CE 4.3Å; L231-M235 WeakPolarHBondContact O-CB 3.4Å; L231-M235 VanDerWaalsContact O-CE 3.27Å; L231-M235 WeakPolarHBondContact O-CE 3.01Å; L231-M235 VanDerWaalsContact O-CG 3.29Å; L231-M235 WeakPolarHBondContact O-CG 3.03Å; L231-M235 PolarHBondContact O-N 2.03Å
232	G	97.9	Very high	95.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.2	-46.3	171.2	0	0	0	0	0	112.3	I228 H229 E230 M235 G236 F237	I228-G232 PolarHBondContact O-N 3.35Å; I228-G232 VanDerWaalsContact O-N 3.08Å; H229-G232 VanDerWaalsContact O-CA 3.26Å; H229-G232 WeakPolarHBondContact O-CA 3.5Å; H229-G232 PolarHBondContact O-N 3.33Å; E230-G232 PolarHBondContact O-N 3.48Å; G232-M235 PolarHBondContact O-N 3.18Å; G232-G236 PolarHBondContact O-N 3.47Å; G232-F237 WeakPolarHBondContact O-CB 3.4Å; G232-F237 PolarHBondContact O-N 2.92Å
233	H	96.2	Very high	95.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.2	-47.5	172.4	-70.2	-45.8	0	0	0	112.5	C27 L29 A189 P191 H229 E230 L231 M235 G236 F237 S333 H334 M345	C27-H233 PolarHBondContact SG-NE2 3.32Å; C27-H233 VanDerWaalsContact SG-NE2 3.41Å; L29-H233 HydrophobicContact CD2-CB 3.76Å; L29-H233 VanDerWaalsContact CD2-CG 3.45Å; A189-H233 HydrophobicContact CB-CB 4.41Å; P191-H233 WeakPolarHBondContact CD-O 3.47Å; H229-H233 AromaticContact CD2-CD2 3.68Å; H229-H233 AromaticContact CD2-NE2 3.69Å; H229-H233 AromaticContact CE1-NE2 3.79Å; H229-H233 AromaticContact NE2-CD2 3.53Å; H229-H233 AromaticContact NE2-NE2 3.03Å; H229-H233 PolarHBondContact NE2-NE2 3.46Å; H229-H233 PolarHBondContact O-N 2.77Å; H229-H233 VanDerWaalsContact O-N 3.17Å; E230-H233 WeakPolarHBondContact O-CB 3.32Å; E230-H233 PolarHBondContact O-N 3.42Å; E230-H233 IonicContact OE2-CD2 3.8Å; L231-H233 VanDerWaalsContact C-N 3.35Å; L231-H233 PolarHBondContact O-N 2.81Å; H233-M235 PolarHBondContact O-N 3.26Å; H233-G236 PolarHBondContact O-N 3.17Å; H233-F237 PolarHBondContact ND1-O 3.27Å; H233-S333 PolarHBondContact CE1-O 3.08Å; H233-S333 VanDerWaalsContact CE1-O 3.31Å; H233-H334 AromaticContact CE1-CD2 3.64Å; H233-H334 AromaticContact CE1-CE1 3.94Å; H233-H334 AromaticContact CE1-NE2 3.35Å; H233-H334 PolarHBondContact CE1-NE2 3.06Å; H233-H334 AromaticContact NE2-CD2 3.62Å; H233-H334 AromaticContact NE2-CE1 3.81Å; H233-H334 AromaticContact NE2-NE2 3Å; H233-H334 PolarHBondContact NE2-NE2 2.99Å; H233-M345 WeakPolarHBondContact CE1-CE 3.25Å
234	A	96.6	Very high	95.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.4	-33.4	178.2	0	0	0	0	0	112.2	Y168 L170 A189 P191 E230 L231 G236	Y168-A234 WeakPolarHBondContact OH-CB 3.41Å; Y168-A234 PolarHBondContact OH-O 2.96Å; L170-A234 HydrophobicContact CD1-CB 4.31Å; A189-A234 HydrophobicContact CB-CB 4.48Å; P191-A234 WeakPolarHBondContact CB-O 3.48Å; E230-A234 PolarHBondContact O-N 3.29Å; L231-A234 PolarHBondContact O-N 2.94Å; A234-G236 VanDerWaalsContact C-N 3.32Å
235	M	97.1	Very high	95.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	8.2	176.9	-63.2	-177.3	-66.9	0	0	114.4	L54 F56 W85 L89 Y168 P201 L231 G232 H233 F363 W368 W369	L54-M235 HydrophobicContact CD2-SD 3.85Å; F56-M235 HydrophobicContact CZ-SD 3.87Å; W85-M235 HydrophobicContact CB-CE 4.05Å; W85-M235 HydrophobicContact CB-SD 4.48Å; W85-M235 HydrophobicContact CD2-CE 3.14Å; W85-M235 HydrophobicContact CD2-SD 4.48Å; W85-M235 VanDerWaalsContact CE2-CE 3.42Å; W85-M235 HydrophobicContact CE3-CE 3.46Å; W85-M235 VanDerWaalsContact CE3-CE 3.46Å; W85-M235 HydrophobicContact CG-CE 3.43Å; W85-M235 VanDerWaalsContact CG-CE 3.43Å; W85-M235 HydrophobicContact CG-SD 4.45Å; W85-M235 HydrophobicContact CH2-CE 4.24Å; W85-M235 HydrophobicContact CZ2-CE 3.97Å; W85-M235 HydrophobicContact CZ3-CE 4Å; L89-M235 HydrophobicContact CD1-CE 3.97Å; L89-M235 HydrophobicContact CD1-SD 3.69Å; Y168-M235 HydrophobicContact CE2-CG 4.17Å; P201-M235 WeakPolarHBondContact CG-O 3.5Å; L231-M235 HydrophobicContact CB-CE 4.3Å; L231-M235 WeakPolarHBondContact O-CB 3.4Å; L231-M235 VanDerWaalsContact O-CE 3.27Å; L231-M235 WeakPolarHBondContact O-CE 3.01Å; L231-M235 VanDerWaalsContact O-CG 3.29Å; L231-M235 WeakPolarHBondContact O-CG 3.03Å; L231-M235 PolarHBondContact O-N 2.03Å; G232-M235 PolarHBondContact O-N 3.18Å; H233-M235 PolarHBondContact O-N 3.26Å; M235-F363 HydrophobicContact CB-CE1 3.73Å; M235-F363 HydrophobicContact CB-CZ 4.3Å; M235-F363 HydrophobicContact CE-CE1 4.43Å; M235-F363 HydrophobicContact CE-CZ 4.32Å; M235-W368 WeakPolarHBondContact O-CZ3 3.36Å; M235-W369 HydrophobicContact CB-CZ2 4.19Å; M235-W369 HydrophobicContact CG-CZ2 4.27Å; M235-W369 HydrophobicContact SD-CZ2 4.37Å
236	G	95.4	Very high	95.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	14.3	164	0	0	0	0	0	116.1	G232 H233 A234 S238 N241	G232-G236 PolarHBondContact O-N 3.47Å; H233-G236 PolarHBondContact O-N 3.17Å; A234-G236 VanDerWaalsContact C-N 3.32Å; G236-S238 PolarHBondContact O-N 3.45Å; G236-N241 WeakPolarHBondContact O-CB 3.2Å
237	F	96.9	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.054	C	C	.	.			trans	-72.8	83.4	163	-163.5	-67.1	0	0	0	109	G232 H233 F242 S333 F335 M345 F362 F363	G232-F237 WeakPolarHBondContact O-CB 3.4Å; G232-F237 PolarHBondContact O-N 2.92Å; H233-F237 PolarHBondContact ND1-O 3.27Å; F237-F242 HydrophobicContact CD1-CE1 4.38Å; F237-F242 HydrophobicContact CD1-CZ 4.2Å; F237-F242 HydrophobicContact CE1-CZ 4.11Å; F237-S333 VanDerWaalsContact CD1-O 3.28Å; F237-S333 WeakPolarHBondContact CD1-O 3.4Å; F237-S333 WeakPolarHBondContact CE1-O 3.26Å; F237-F335 HydrophobicContact CE2-CD2 4.33Å; F237-F335 AromaticContact CE2-CE1 3.89Å; F237-F335 HydrophobicContact CE2-CE1 3.89Å; F237-F335 AromaticContact CE2-CE2 3.64Å; F237-F335 HydrophobicContact CE2-CE2 3.64Å; F237-F335 AromaticContact CE2-CZ 3.39Å; F237-F335 HydrophobicContact CE2-CZ 3.39Å; F237-F335 AromaticContact CZ-CD1 3.82Å; F237-F335 HydrophobicContact CZ-CD1 3.82Å; F237-F335 AromaticContact CZ-CD2 3.97Å; F237-F335 HydrophobicContact CZ-CD2 3.97Å; F237-F335 AromaticContact CZ-CE1 3.57Å; F237-F335 HydrophobicContact CZ-CE1 3.57Å; F237-F335 AromaticContact CZ-CE2 3.72Å; F237-F335 HydrophobicContact CZ-CE2 3.72Å; F237-F335 HydrophobicContact CZ-CG 4.02Å; F237-F335 AromaticContact CZ-CZ 3.51Å; F237-F335 HydrophobicContact CZ-CZ 3.51Å; F237-M345 HydrophobicContact CB-CE 3.91Å; F237-M345 HydrophobicContact CD1-CB 4.44Å; F237-M345 HydrophobicContact CD1-CE 3.62Å; F237-M345 HydrophobicContact CD1-CG 4.39Å; F237-M345 HydrophobicContact CD2-CB 4.37Å; F237-M345 HydrophobicContact CD2-CE 4.42Å; F237-M345 HydrophobicContact CD2-CG 3.81Å; F237-M345 HydrophobicContact CE1-CB 4.11Å; F237-M345 HydrophobicContact CE1-CE 4.28Å; F237-M345 HydrophobicContact CE1-CG 4.47Å; F237-M345 HydrophobicContact CE2-CB 4.04Å; F237-M345 HydrophobicContact CE2-CG 3.91Å; F237-M345 HydrophobicContact CG-CE 3.72Å; F237-M345 HydrophobicContact CG-CG 4.09Å; F237-M345 HydrophobicContact CG-SD 4.38Å; F237-M345 HydrophobicContact CZ-CB 3.91Å; F237-M345 HydrophobicContact CZ-CG 4.25Å; F237-F362 HydrophobicContact CB-CD1 4.28Å; F237-F362 HydrophobicContact CB-CE1 3.74Å; F237-F362 HydrophobicContact CB-CZ 4.21Å; F237-F362 HydrophobicContact CD2-CB 4.22Å; F237-F362 AromaticContact CD2-CD1 3.28Å; F237-F362 HydrophobicContact CD2-CD1 3.28Å; F237-F362 AromaticContact CD2-CD2 3.98Å; F237-F362 HydrophobicContact CD2-CD2 3.98Å; F237-F362 AromaticContact CD2-CE1 3.53Å; F237-F362 HydrophobicContact CD2-CE1 3.53Å; F237-F362 HydrophobicContact CD2-CE2 4.2Å; F237-F362 AromaticContact CD2-CG 3.52Å; F237-F362 HydrophobicContact CD2-CG 3.52Å; F237-F362 AromaticContact CD2-CZ 4Å; F237-F362 HydrophobicContact CD2-CZ 4Å; F237-F362 HydrophobicContact CE2-CB 4.03Å; F237-F362 AromaticContact CE2-CD1 3.93Å; F237-F362 HydrophobicContact CE2-CD1 3.93Å; F237-F362 AromaticContact CE2-CD2 3.93Å; F237-F362 HydrophobicContact CE2-CD2 3.93Å; F237-F362 HydrophobicContact CE2-CE1 4.42Å; F237-F362 HydrophobicContact CE2-CE2 4.43Å; F237-F362 AromaticContact CE2-CG 3.65Å; F237-F362 HydrophobicContact CE2-CG 3.65Å; F237-F362 HydrophobicContact CG-CD1 4.15Å; F237-F362 AromaticContact CG-CE1 3.94Å; F237-F362 HydrophobicContact CG-CE1 3.94Å; F237-F362 HydrophobicContact CG-CZ 4.22Å; F237-F363 HydrophobicContact CB-CZ 4.37Å
238	S	93.1	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-162	156	175.5	66	0	0	0	0	110.8	G236 S240 N241 F242	G236-S238 PolarHBondContact O-N 3.45Å; S238-S240 PolarHBondContact O-N 3.42Å; S238-S240 PolarHBondContact OG-OG 3.36Å; S238-S240 VanDerWaalsContact OG-OG 3.13Å; S238-N241 PolarHBondContact O-N 3.19Å; S238-N241 WeakPolarHBondContact OG-CB 3.29Å; S238-N241 VanDerWaalsContact OG-CG 3.31Å; S238-N241 PolarHBondContact OG-OD1 2.84Å; S238-F242 WeakPolarHBondContact O-CD1 3.25Å; S238-F242 VanDerWaalsContact O-CE1 3.32Å; S238-F242 WeakPolarHBondContact O-CE1 3.45Å; S238-F242 WeakPolarHBondContact O-CG 3.23Å; S238-F242 PolarHBondContact O-N 2.99Å; S238-F242 VanDerWaalsContact O-N 3.12Å
239	R	91.3	Very high	95.1	Very high	108 Å²	108	18.6 Å²	18.6	41%	0.408	10%	0.097	S	C	.	.	H	α-helix	trans	-51.4	-43.6	-179.1	-176.5	179.4	169.6	-171.6	-5.9	113.1	N241 D272 G332 S333	R239-N241 PolarHBondContact O-N 3.29Å; R239-D272 IonicContact NH2-OD1 3.65Å; R239-D272 PolarHBondContact NH2-OD1 3.31Å; R239-D272 VanDerWaalsContact NH2-OD1 3.16Å; R239-G332 WeakPolarHBondContact CB-O 3.47Å; R239-S333 WeakPolarHBondContact CB-OG 3.36Å; R239-S333 PolarHBondContact N-OG 3.03Å; R239-S333 VanDerWaalsContact N-OG 3.09Å
240	S	86.1	Confident	94.9	Very high	26 Å²	26	20 Å²	20	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-63.2	-27.7	-179.7	49.3	0	0	0	0	113.2	M35 S238	M35-S240 WeakPolarHBondContact CE-O 3.37Å; S238-S240 PolarHBondContact O-N 3.42Å; S238-S240 PolarHBondContact OG-OG 3.36Å; S238-S240 VanDerWaalsContact OG-OG 3.13Å
241	N	93.9	Very high	94.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-95.7	-21.4	-172.3	-74.3	64.2	0	0	0	112.6	P191 M194 G236 S238 R239 A243 L244 M245 W368	P191-N241 WeakPolarHBondContact CG-ND2 3.38Å; P191-N241 WeakPolarHBondContact CG-OD1 3.38Å; M194-N241 WeakPolarHBondContact CE-ND2 3.22Å; G236-N241 WeakPolarHBondContact O-CB 3.2Å; S238-N241 PolarHBondContact O-N 3.19Å; S238-N241 WeakPolarHBondContact OG-CB 3.29Å; S238-N241 VanDerWaalsContact OG-CG 3.31Å; S238-N241 PolarHBondContact OG-OD1 2.84Å; R239-N241 PolarHBondContact O-N 3.29Å; N241-A243 PolarHBondContact O-N 3.06Å; N241-L244 WeakPolarHBondContact O-CA 3.38Å; N241-L244 WeakPolarHBondContact O-CB 3.22Å; N241-L244 PolarHBondContact O-N 3.13Å; N241-M245 PolarHBondContact O-N 3.36Å; N241-W368 HydrophobicContact CB-CH2 4.05Å
242	F	96.1	Very high	94.7	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-36.2	175.9	-58.9	-20.7	0	0	0	112	F237 S238 L244 M245 A273 T277 V278 I299 L322 G332 F362	F237-F242 HydrophobicContact CD1-CE1 4.38Å; F237-F242 HydrophobicContact CD1-CZ 4.2Å; F237-F242 HydrophobicContact CE1-CZ 4.11Å; S238-F242 WeakPolarHBondContact O-CD1 3.25Å; S238-F242 VanDerWaalsContact O-CE1 3.32Å; S238-F242 WeakPolarHBondContact O-CE1 3.45Å; S238-F242 WeakPolarHBondContact O-CG 3.23Å; S238-F242 PolarHBondContact O-N 2.99Å; S238-F242 VanDerWaalsContact O-N 3.12Å; F242-L244 PolarHBondContact O-N 2.79Å; F242-L244 VanDerWaalsContact O-N 3.17Å; F242-M245 HydrophobicContact CB-SD 4.25Å; F242-M245 HydrophobicContact CD1-SD 4.16Å; F242-M245 WeakPolarHBondContact O-CB 3.46Å; F242-M245 WeakPolarHBondContact O-CG 3.31Å; F242-M245 PolarHBondContact O-N 3.25Å; F242-A273 HydrophobicContact CB-CB 3.96Å; F242-T277 HydrophobicContact CB-CG2 4.14Å; F242-V278 HydrophobicContact CB-CG2 4.11Å; F242-V278 HydrophobicContact CD2-CG2 3.79Å; F242-V278 HydrophobicContact CG-CG2 4.3Å; F242-I299 HydrophobicContact CE1-CD1 4.3Å; F242-I299 HydrophobicContact CE2-CD1 4.16Å; F242-I299 HydrophobicContact CZ-CD1 3.95Å; F242-L322 HydrophobicContact CD2-CD1 4.35Å; F242-L322 HydrophobicContact CE2-CD1 3.77Å; F242-L322 HydrophobicContact CE2-CD2 3.99Å; F242-L322 HydrophobicContact CZ-CD2 4.22Å; F242-G332 VanDerWaalsContact CE2-O 3.28Å; F242-G332 WeakPolarHBondContact CE2-O 3.33Å; F242-F362 AromaticContact CD1-CE2 3.61Å; F242-F362 HydrophobicContact CD1-CE2 3.61Å; F242-F362 AromaticContact CD1-CZ 3.82Å; F242-F362 HydrophobicContact CD1-CZ 3.82Å; F242-F362 HydrophobicContact CE1-CD2 4.42Å; F242-F362 AromaticContact CE1-CE2 3.35Å; F242-F362 HydrophobicContact CE1-CE2 3.35Å; F242-F362 AromaticContact CE1-CZ 3.54Å; F242-F362 HydrophobicContact CE1-CZ 3.54Å; F242-F362 HydrophobicContact CZ-CE2 4.35Å
243	A	95.4	Very high	94.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.1	174.6	0	0	0	0	0	113.5	N241 T254 R256 P263 A273	N241-A243 PolarHBondContact O-N 3.06Å; A243-T254 VanDerWaalsContact O-CB 3.28Å; A243-T254 WeakPolarHBondContact O-CB 3.45Å; A243-T254 PolarHBondContact O-OG1 3.43Å; A243-R256 PolarHBondContact O-NH1 3.04Å; A243-P263 HydrophobicContact CB-CB 4.49Å; A243-P263 HydrophobicContact CB-CG 4.13Å; A243-A273 HydrophobicContact CB-CB 4.33Å
244	L	95.5	Very high	94.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.9	-179	-67.6	-175.5	0	0	0	113.8	M35 F37 M194 D199 N241 F242 R256 P263 W368	M35-L244 HydrophobicContact CE-CD1 3.38Å; M35-L244 HydrophobicContact CE-CG 4.02Å; M35-L244 HydrophobicContact SD-CD1 3.53Å; M35-L244 VanDerWaalsContact SD-CD1 3.53Å; F37-L244 HydrophobicContact CE1-CD1 4.2Å; F37-L244 HydrophobicContact CZ-CD1 4.03Å; F37-L244 HydrophobicContact CZ-CD2 4.31Å; M194-L244 HydrophobicContact CE-CB 4.39Å; M194-L244 HydrophobicContact CE-CD1 3.33Å; M194-L244 HydrophobicContact CE-CG 4.49Å; M194-L244 HydrophobicContact CG-CD1 4.22Å; D199-L244 HydrophobicContact CB-CB 3.86Å; D199-L244 HydrophobicContact CB-CD1 4.4Å; D199-L244 HydrophobicContact CB-CD2 4.22Å; D199-L244 HydrophobicContact CB-CG 4.39Å; N241-L244 WeakPolarHBondContact O-CA 3.38Å; N241-L244 WeakPolarHBondContact O-CB 3.22Å; N241-L244 PolarHBondContact O-N 3.13Å; F242-L244 PolarHBondContact O-N 2.79Å; F242-L244 VanDerWaalsContact O-N 3.17Å; L244-R256 PolarHBondContact O-NH2 3.04Å; L244-P263 HydrophobicContact CD2-CG 3.69Å; L244-W368 HydrophobicContact CB-CZ2 4.16Å
245	M	97.5	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.			trans	-61.4	151.8	177	-65.1	172	70.3	0	0	112.3	N241 F242 L253 T277 T301 F362 D365 S366 W368	N241-M245 PolarHBondContact O-N 3.36Å; F242-M245 HydrophobicContact CB-SD 4.25Å; F242-M245 HydrophobicContact CD1-SD 4.16Å; F242-M245 WeakPolarHBondContact O-CB 3.46Å; F242-M245 WeakPolarHBondContact O-CG 3.31Å; F242-M245 PolarHBondContact O-N 3.25Å; M245-L253 HydrophobicContact CB-CD1 4.03Å; M245-L253 PolarHBondContact O-N 2.91Å; M245-L253 VanDerWaalsContact O-N 3.11Å; M245-T277 HydrophobicContact CE-CG2 4.24Å; M245-T277 HydrophobicContact SD-CG2 3.44Å; M245-T277 WeakPolarHBondContact SD-CG2 3.25Å; M245-T301 HydrophobicContact CE-CG2 3.95Å; M245-F362 HydrophobicContact CE-CD2 4.33Å; M245-F362 HydrophobicContact CE-CE2 4Å; M245-F362 HydrophobicContact SD-CE2 3.86Å; M245-F362 HydrophobicContact SD-CZ 4.36Å; M245-D365 HydrophobicContact CE-CB 4.21Å; M245-D365 WeakPolarHBondContact CE-O 3.36Å; M245-S366 WeakPolarHBondContact CA-O 3.44Å; M245-W368 HydrophobicContact CG-CH2 4.15Å; M245-W368 HydrophobicContact CG-CZ2 4.09Å
246	R	96.8	Very high	94.6	Very high	33 Å²	33	35.2 Å²	35.2	13%	0.125	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-128	150.6	-179.1	-68.8	177.3	173.7	-100.1	-0.6	110.2	T197 T198 D199 G250 N251 S366 G367	T197-R246 VanDerWaalsContact O-CZ 3.26Å; T197-R246 PolarHBondContact O-NH2 3.33Å; T198-R246 VanDerWaalsContact O-CD 3.26Å; T198-R246 WeakPolarHBondContact O-CD 3.1Å; T198-R246 PolarHBondContact O-NE 2.95Å; D199-R246 IonicContact OD2-CZ 3.42Å; D199-R246 VanDerWaalsContact OD2-CZ 3.22Å; D199-R246 IonicContact OD2-NE 2.7Å; D199-R246 PolarHBondContact OD2-NE 2.84Å; D199-R246 IonicContact OD2-NH2 2.98Å; D199-R246 PolarHBondContact OD2-NH2 3.31Å; R246-G250 WeakPolarHBondContact CD-O 3.43Å; R246-G250 PolarHBondContact NH1-O 3.19Å; R246-N251 CarbonylContact C-O 3.55Å; R246-N251 WeakPolarHBondContact CA-O 3.33Å; R246-N251 WeakPolarHBondContact CB-O 3.49Å; R246-S366 PolarHBondContact N-O 2.63Å; R246-S366 CarbonylContact O-C 3.41Å; R246-G367 VanDerWaalsContact O-CA 3.29Å; R246-G367 WeakPolarHBondContact O-CA 3.44Å; R246-G367 PolarHBondContact O-N 2.82Å
247	D	95.5	Very high	94.4	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	21%	0.213	S	C	.	.			trans	-66.2	172	171	73.9	14.7	0	0	0	111.1	S249 G250 N251 L253	D247-S249 PolarHBondContact O-N 2.88Å; D247-S249 VanDerWaalsContact O-N 3.16Å; D247-S249 VanDerWaalsContact OD1-CA 3.29Å; D247-S249 WeakPolarHBondContact OD1-CA 3.43Å; D247-S249 VanDerWaalsContact OD1-CB 3.27Å; D247-S249 WeakPolarHBondContact OD1-CB 3.5Å; D247-S249 PolarHBondContact OD1-N 3.3Å; D247-G250 PolarHBondContact O-N 2.5Å; D247-G250 PolarHBondContact OD1-N 3.2Å; D247-N251 PolarHBondContact N-O 3.4Å; D247-N251 PolarHBondContact OD1-N 3.26Å; D247-N251 PolarHBondContact OD1-ND2 3.38Å; D247-N251 WeakPolarHBondContact OD2-CB 3.12Å; D247-N251 PolarHBondContact OD2-ND2 2.8Å; D247-L253 HydrophobicContact CB-CD2 3.93Å
248	L	91.3	Very high	94.2	Very high	81 Å²	81	44.5 Å²	44.5	42%	0.424	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.1	179.5	-64.7	-178.7	0	0	0	113.3	R92 G250 Q364	R92-L248 PolarHBondContact NE-O 3.25Å; R92-L248 PolarHBondContact NH2-O 2.87Å; L248-G250 VanDerWaalsContact C-N 3.32Å; L248-Q364 HydrophobicContact CD2-CG 4.42Å
249	S	92.4	Very high	93.9	Very high	83 Å²	83	55.6 Å²	55.6	58%	0.58	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-21.5	174.7	-62.5	0	0	0	0	112	K93 D247	K93-S249 PolarHBondContact NZ-O 3.11Å; D247-S249 PolarHBondContact O-N 2.88Å; D247-S249 VanDerWaalsContact O-N 3.16Å; D247-S249 VanDerWaalsContact OD1-CA 3.29Å; D247-S249 WeakPolarHBondContact OD1-CA 3.43Å; D247-S249 VanDerWaalsContact OD1-CB 3.27Å; D247-S249 WeakPolarHBondContact OD1-CB 3.5Å; D247-S249 PolarHBondContact OD1-N 3.3Å
250	G	92.5	Very high	93.7	Very high	28 Å²	28	54.6 Å²	54.6	29%	0.289	30%	0.302	S	S	.	.	S	Bend	trans	104	8.1	-177.6	0	0	0	0	0	113.5	R246 D247 L248	R246-G250 WeakPolarHBondContact CD-O 3.43Å; R246-G250 PolarHBondContact NH1-O 3.19Å; D247-G250 PolarHBondContact O-N 2.5Å; D247-G250 PolarHBondContact OD1-N 3.2Å; L248-G250 VanDerWaalsContact C-N 3.32Å
251	N	95.5	Very high	93.9	Very high	90 Å²	90	55 Å²	55	48%	0.481	31%	0.311	S	S	.	.			trans	-80.8	141.4	178.1	-51.3	-59.7	0	0	0	110.7	R246 D247 L253	R246-N251 CarbonylContact C-O 3.55Å; R246-N251 WeakPolarHBondContact CA-O 3.33Å; R246-N251 WeakPolarHBondContact CB-O 3.49Å; D247-N251 PolarHBondContact N-O 3.4Å; D247-N251 PolarHBondContact OD1-N 3.26Å; D247-N251 PolarHBondContact OD1-ND2 3.38Å; D247-N251 WeakPolarHBondContact OD2-CB 3.12Å; D247-N251 PolarHBondContact OD2-ND2 2.8Å; N251-L253 PolarHBondContact O-N 3.14Å
252	P	96.7	Very high	93.8	Very high	49 Å²	49	56.2 Å²	56.2	32%	0.318	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-58	129.1	173.8	-23.4	34.6	0	0	0	112.7	T254 R256	P252-T254 VanDerWaalsContact C-N 3.33Å; P252-T254 WeakPolarHBondContact CB-O 3.02Å; P252-R256 HydrophobicContact CB-CG 3.85Å; P252-R256 HydrophobicContact CG-CG 3.7Å
253	L	97.3	Very high	93.6	Very high	35 Å²	35	56.4 Å²	56.4	18%	0.183	32%	0.317	C	S	.	.	S	Bend	trans	-73.3	-29.8	171.4	-68.4	176.3	0	0	0	111.9	M245 D247 N251 S274 T277 T301	M245-L253 HydrophobicContact CB-CD1 4.03Å; M245-L253 PolarHBondContact O-N 2.91Å; M245-L253 VanDerWaalsContact O-N 3.11Å; D247-L253 HydrophobicContact CB-CD2 3.93Å; N251-L253 PolarHBondContact O-N 3.14Å; L253-S274 PolarHBondContact O-OG 3.03Å; L253-T277 WeakPolarHBondContact CB-OG1 3.27Å; L253-T277 WeakPolarHBondContact CD1-OG1 2.9Å; L253-T301 HydrophobicContact CD1-CG2 4.42Å
254	T	97.2	Very high	93.4	Very high	8 Å²	8	64.9 Å²	64.9	5%	0.049	35%	0.354	C	S	.	.	S	Bend	trans	-101.1	129.5	174.6	-57.5	0	0	0	0	110	A243 P252 R256 P263 S274	A243-T254 VanDerWaalsContact O-CB 3.28Å; A243-T254 WeakPolarHBondContact O-CB 3.45Å; A243-T254 PolarHBondContact O-OG1 3.43Å; P252-T254 VanDerWaalsContact C-N 3.33Å; P252-T254 WeakPolarHBondContact CB-O 3.02Å; T254-R256 PolarHBondContact O-NH1 3.31Å; T254-P263 HydrophobicContact CG2-CB 3.9Å; T254-S274 PolarHBondContact OG1-N 3.05Å
255	P	96.2	Very high	93.1	Very high	100 Å²	100	68.7 Å²	68.7	65%	0.649	37%	0.374	S	S	*	.			trans	-51.1	140.5	177.9	-28.3	35.3	0	0	0	113
256	R	94.7	Very high	92.6	Very high	46 Å²	46	70.2 Å²	70.2	17%	0.174	38%	0.382	C	S	.	.			trans	-104.4	141.7	-179.9	-57.9	-58.9	-163.6	-134.9	3.3	110.5	D199 A243 L244 P252 T254 P258 G261 K262 P263	D199-R256 IonicContact OD2-CZ 3.96Å; D199-R256 IonicContact OD2-NE 3.12Å; D199-R256 IonicContact OD2-NH2 3.34Å; D199-R256 PolarHBondContact OD2-NH2 3.08Å; A243-R256 PolarHBondContact O-NH1 3.04Å; L244-R256 PolarHBondContact O-NH2 3.04Å; P252-R256 HydrophobicContact CB-CG 3.85Å; P252-R256 HydrophobicContact CG-CG 3.7Å; T254-R256 PolarHBondContact O-NH1 3.31Å; R256-P258 WeakPolarHBondContact O-CD 3.12Å; R256-G261 VanDerWaalsContact CD-O 3.32Å; R256-G261 WeakPolarHBondContact CD-O 3.39Å; R256-K262 CarbonylContact C-O 3.6Å; R256-K262 WeakPolarHBondContact CA-O 3.26Å; R256-P263 VanDerWaalsContact NH1-CG 3.29Å
257	D	91.4	Very high	92.2	Very high	63 Å²	63	79.7 Å²	79.7	34%	0.337	42%	0.42	S	S	.	.			trans	-65.1	122.9	165.5	-178.5	-39.8	0	0	0	108.6	R259 T260 G261 K262	D257-R259 PolarHBondContact O-N 2.94Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 WeakPolarHBondContact OD1-CA 3.5Å; D257-R259 VanDerWaalsContact OD1-CB 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.42Å; D257-R259 PolarHBondContact OD1-N 2.76Å; D257-T260 PolarHBondContact O-N 2.89Å; D257-G261 WeakPolarHBondContact O-CA 3.12Å; D257-G261 PolarHBondContact O-N 2.83Å; D257-K262 PolarHBondContact N-O 3.26Å
258	P	91	Very high	91.7	Very high	133 Å²	133	83.6 Å²	83.6	86%	0.864	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.6	-178.2	-25.5	34.8	0	0	0	114.8	R256	R256-P258 WeakPolarHBondContact O-CD 3.12Å
259	R	87.9	Confident	91.3	Very high	233 Å²	233	90 Å²	90	88%	0.879	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-38.3	-179.1	-60.5	-179.8	64.4	177.4	-1	112.4	D257	D257-R259 PolarHBondContact O-N 2.94Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 WeakPolarHBondContact OD1-CA 3.5Å; D257-R259 VanDerWaalsContact OD1-CB 3.3Å; D257-R259 WeakPolarHBondContact OD1-CB 3.42Å; D257-R259 PolarHBondContact OD1-N 2.76Å
260	T	87.6	Confident	90.9	Very high	86 Å²	86	89.1 Å²	89.1	53%	0.528	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-21.2	-175.4	68.7	0	0	0	0	112.8	D257 K262	D257-T260 PolarHBondContact O-N 2.89Å; T260-K262 PolarHBondContact O-N 3.42Å; T260-K262 PolarHBondContact OG1-N 2.98Å; T260-K262 VanDerWaalsContact OG1-N 3.17Å
261	G	90	Very high	90.8	Very high	36 Å²	36	89.3 Å²	89.3	37%	0.371	43%	0.434	S	S	.	.	S	Bend	trans	70.2	9.9	-171	0	0	0	0	0	113.9	R256 D257	R256-G261 VanDerWaalsContact CD-O 3.32Å; R256-G261 WeakPolarHBondContact CD-O 3.39Å; D257-G261 WeakPolarHBondContact O-CA 3.12Å; D257-G261 PolarHBondContact O-N 2.83Å
262	K	90.6	Very high	90.6	Very high	24 Å²	24	88.4 Å²	88.4	10%	0.104	43%	0.429	C	S	.	.	S	Bend	trans	-114.9	157.6	-175.5	-59.2	-51	-179.4	-168	0	111.5	F37 P196 D199 R256 D257 T260 Y271	F37-K262 HydrophobicContact CD1-CD 4.36Å; F37-K262 HydrophobicContact CD2-CD 4.41Å; F37-K262 HydrophobicContact CE1-CD 3.79Å; F37-K262 HydrophobicContact CE2-CD 3.85Å; F37-K262 HydrophobicContact CE2-CG 4.21Å; F37-K262 HydrophobicContact CZ-CD 3.51Å; F37-K262 HydrophobicContact CZ-CG 4.29Å; P196-K262 PolarHBondContact O-NZ 3.41Å; D199-K262 IonicContact OD1-NZ 3.47Å; D199-K262 PolarHBondContact OD1-NZ 2.7Å; R256-K262 CarbonylContact C-O 3.6Å; R256-K262 WeakPolarHBondContact CA-O 3.26Å; D257-K262 PolarHBondContact N-O 3.26Å; T260-K262 PolarHBondContact O-N 3.42Å; T260-K262 PolarHBondContact OG1-N 2.98Å; T260-K262 VanDerWaalsContact OG1-N 3.17Å; K262-Y271 HydrophobicContact CB-CE1 4.2Å
263	P	92.8	Very high	90.5	Very high	5 Å²	5	87.3 Å²	87.3	3%	0.032	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-58.5	159.9	173.3	8.6	-8	0	0	0	111.3	A243 L244 T254 R256 Y271	A243-P263 HydrophobicContact CB-CB 4.49Å; A243-P263 HydrophobicContact CB-CG 4.13Å; L244-P263 HydrophobicContact CD2-CG 3.69Å; T254-P263 HydrophobicContact CG2-CB 3.9Å; R256-P263 VanDerWaalsContact NH1-CG 3.29Å; P263-Y271 HydrophobicContact CB-CD1 3.65Å; P263-Y271 HydrophobicContact CB-CE1 4.36Å; P263-Y271 HydrophobicContact CB-CG 4.28Å; P263-Y271 HydrophobicContact CG-CD1 3.43Å; P263-Y271 VanDerWaalsContact CG-CD1 3.43Å; P263-Y271 HydrophobicContact CG-CE1 3.99Å; P263-Y271 HydrophobicContact CG-CG 3.8Å; P263-Y271 VanDerWaalsContact O-CD1 3.23Å; P263-Y271 WeakPolarHBondContact O-CD1 3.37Å; P263-Y271 WeakPolarHBondContact O-CE1 3.07Å
264	K	91	Very high	90.5	Very high	178 Å²	178	86.6 Å²	86.6	77%	0.774	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-72.9	135.8	176.2	-171.7	178.1	177.5	-177.6	0	109.5
265	L	88.6	Confident	90.5	Very high	81 Å²	81	92.8 Å²	92.8	42%	0.424	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-75	139.3	172.8	-67.6	173.4	0	0	0	110.8	R269 Q270 Y271	L265-R269 WeakPolarHBondContact CD2-O 3.39Å; L265-Q270 CarbonylContact C-O 3.54Å; L265-Q270 WeakPolarHBondContact CA-O 3.23Å; L265-Y271 HydrophobicContact CD2-CD1 3.53Å; L265-Y271 HydrophobicContact CD2-CD2 3.99Å; L265-Y271 HydrophobicContact CD2-CE1 3.35Å; L265-Y271 HydrophobicContact CD2-CE2 3.87Å; L265-Y271 HydrophobicContact CD2-CG 3.9Å; L265-Y271 HydrophobicContact CG-CD1 4.2Å; L265-Y271 HydrophobicContact CG-CE1 3.83Å
266	N	88.3	Confident	90.6	Very high	32 Å²	32	93.3 Å²	93.3	17%	0.171	45%	0.448	C	S	.	.			trans	-77.7	-177.8	169.6	70.7	16.8	0	0	0	111.6	Q268 R269 Q270 D272	N266-Q268 PolarHBondContact O-N 2.82Å; N266-Q268 WeakPolarHBondContact OD1-CA 3.26Å; N266-Q268 WeakPolarHBondContact OD1-CB 3.3Å; N266-Q268 PolarHBondContact OD1-N 3.37Å; N266-Q268 PolarHBondContact OD1-OE1 3Å; N266-R269 WeakPolarHBondContact O-CA 2.91Å; N266-R269 PolarHBondContact O-N 3.02Å; N266-R269 PolarHBondContact OD1-N 3.49Å; N266-Q270 VanDerWaalsContact CG-O 3.22Å; N266-Q270 PolarHBondContact N-O 3.13Å; N266-Q270 PolarHBondContact OD1-N 3.36Å; N266-Q270 PolarHBondContact OD1-O 3.23Å; N266-D272 VanDerWaalsContact CB-OD2 3.29Å; N266-D272 WeakPolarHBondContact CB-OD2 3.43Å; N266-D272 PolarHBondContact ND2-OD1 2.64Å; N266-D272 PolarHBondContact ND2-OD2 3.24Å
267	Y	87.5	Confident	90.7	Very high	232 Å²	232	91.1 Å²	91.1	91%	0.91	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.6	-177	-159.9	-87	0	0	0	112.6	R269	Y267-R269 PolarHBondContact O-N 3.05Å
268	Q	84.4	Confident	91	Very high	133 Å²	133	89.5 Å²	89.5	62%	0.621	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	5.3	174.4	-62.4	86.3	-20.8	0	0	113.1	N266 Q270	N266-Q268 PolarHBondContact O-N 2.82Å; N266-Q268 WeakPolarHBondContact OD1-CA 3.26Å; N266-Q268 WeakPolarHBondContact OD1-CB 3.3Å; N266-Q268 PolarHBondContact OD1-N 3.37Å; N266-Q268 PolarHBondContact OD1-OE1 3Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 HydrophobicContact CB-CG 4.35Å; Q268-Q270 PolarHBondContact O-N 3.41Å
269	R	84.1	Confident	91.4	Very high	214 Å²	214	87.7 Å²	87.7	81%	0.808	41%	0.41	S	S	*	.	S	Bend	trans	57.2	37.4	-174.6	-58	-173.5	171.9	-168	-1.6	113.3	L265 N266 Y267	L265-R269 WeakPolarHBondContact CD2-O 3.39Å; N266-R269 WeakPolarHBondContact O-CA 2.91Å; N266-R269 PolarHBondContact O-N 3.02Å; N266-R269 PolarHBondContact OD1-N 3.49Å; Y267-R269 PolarHBondContact O-N 3.05Å
270	Q	84.4	Confident	91.9	Very high	65 Å²	65	84.8 Å²	84.8	30%	0.304	40%	0.399	S	S	.	.			trans	-112.6	155.8	172.3	-63.5	172.2	-15.7	0	0	109.7	L265 N266 Q268	L265-Q270 CarbonylContact C-O 3.54Å; L265-Q270 WeakPolarHBondContact CA-O 3.23Å; N266-Q270 VanDerWaalsContact CG-O 3.22Å; N266-Q270 PolarHBondContact N-O 3.13Å; N266-Q270 PolarHBondContact OD1-N 3.36Å; N266-Q270 PolarHBondContact OD1-O 3.23Å; Q268-Q270 VanDerWaalsContact C-N 3.26Å; Q268-Q270 HydrophobicContact CB-CG 4.35Å; Q268-Q270 PolarHBondContact O-N 3.41Å
271	Y	89.7	Confident	92.4	Very high	33 Å²	33	81.5 Å²	81.5	13%	0.129	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-90.9	124.7	172.1	-56.1	-77.5	0	0	0	109.5	M35 K262 P263 L265	M35-Y271 HydrophobicContact CE-CD2 3Å; M35-Y271 HydrophobicContact CE-CE2 3.15Å; M35-Y271 HydrophobicContact CE-CG 4.18Å; K262-Y271 HydrophobicContact CB-CE1 4.2Å; P263-Y271 HydrophobicContact CB-CD1 3.65Å; P263-Y271 HydrophobicContact CB-CE1 4.36Å; P263-Y271 HydrophobicContact CB-CG 4.28Å; P263-Y271 HydrophobicContact CG-CD1 3.43Å; P263-Y271 VanDerWaalsContact CG-CD1 3.43Å; P263-Y271 HydrophobicContact CG-CE1 3.99Å; P263-Y271 HydrophobicContact CG-CG 3.8Å; P263-Y271 VanDerWaalsContact O-CD1 3.23Å; P263-Y271 WeakPolarHBondContact O-CD1 3.37Å; P263-Y271 WeakPolarHBondContact O-CE1 3.07Å; L265-Y271 HydrophobicContact CD2-CD1 3.53Å; L265-Y271 HydrophobicContact CD2-CD2 3.99Å; L265-Y271 HydrophobicContact CD2-CE1 3.35Å; L265-Y271 HydrophobicContact CD2-CE2 3.87Å; L265-Y271 HydrophobicContact CD2-CG 3.9Å; L265-Y271 HydrophobicContact CG-CD1 4.2Å; L265-Y271 HydrophobicContact CG-CE1 3.83Å
272	D	91.5	Very high	92.8	Very high	70 Å²	70	83.2 Å²	83.2	37%	0.374	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-93.7	138.3	170.5	-67.1	-50.5	0	0	0	109.5	R239 N266	R239-D272 IonicContact NH2-OD1 3.65Å; R239-D272 PolarHBondContact NH2-OD1 3.31Å; R239-D272 VanDerWaalsContact NH2-OD1 3.16Å; N266-D272 VanDerWaalsContact CB-OD2 3.29Å; N266-D272 WeakPolarHBondContact CB-OD2 3.43Å; N266-D272 PolarHBondContact ND2-OD1 2.64Å; N266-D272 PolarHBondContact ND2-OD2 3.24Å
273	A	95.4	Very high	93.1	Very high	26 Å²	26	82.2 Å²	82.2	22%	0.215	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-73	151.8	176.6	0	0	0	0	0	110.9	F242 A243 T277 V278	F242-A273 HydrophobicContact CB-CB 3.96Å; A243-A273 HydrophobicContact CB-CB 4.33Å; A273-T277 HydrophobicContact CB-CG2 4.26Å; A273-V278 HydrophobicContact CB-CB 4.15Å; A273-V278 HydrophobicContact CB-CG2 3.91Å
274	S	96.7	Very high	93.4	Very high	21 Å²	21	85.1 Å²	85.1	15%	0.147	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-70.6	166	171.6	71.7	0	0	0	0	111.7	L253 T254 N276 T277 V278	L253-S274 PolarHBondContact O-OG 3.03Å; T254-S274 PolarHBondContact OG1-N 3.05Å; S274-N276 PolarHBondContact O-N 3.15Å; S274-N276 VanDerWaalsContact O-N 3.07Å; S274-N276 PolarHBondContact OG-N 3.32Å; S274-T277 PolarHBondContact O-N 3.13Å; S274-V278 PolarHBondContact O-N 3.24Å
275	E	97.3	Very high	93.7	Very high	138 Å²	138	76.7 Å²	76.7	65%	0.645	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-11.7	175.2	-63.2	-164.3	158.9	0	0	114	V278 V300	E275-V278 WeakPolarHBondContact CA-O 3.43Å; E275-V300 VanDerWaalsContact O-CG2 3.27Å; E275-V300 WeakPolarHBondContact O-CG2 3.48Å
276	N	97	Very high	94.2	Very high	111 Å²	111	75.1 Å²	75.1	59%	0.594	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.3	172	-64.5	-29.5	0	0	0	112.5	S274	S274-N276 PolarHBondContact O-N 3.15Å; S274-N276 VanDerWaalsContact O-N 3.07Å; S274-N276 PolarHBondContact OG-N 3.32Å
277	T	98.4	Very high	94.7	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-55.6	-179.3	-53.7	0	0	0	0	110.6	F242 M245 L253 A273 S274 I299 V300 T301	F242-T277 HydrophobicContact CB-CG2 4.14Å; M245-T277 HydrophobicContact CE-CG2 4.24Å; M245-T277 HydrophobicContact SD-CG2 3.44Å; M245-T277 WeakPolarHBondContact SD-CG2 3.25Å; L253-T277 WeakPolarHBondContact CB-OG1 3.27Å; L253-T277 WeakPolarHBondContact CD1-OG1 2.9Å; A273-T277 HydrophobicContact CB-CG2 4.26Å; S274-T277 PolarHBondContact O-N 3.13Å; T277-I299 CarbonylContact O-C 3.56Å; T277-I299 VanDerWaalsContact O-CA 3.27Å; T277-I299 WeakPolarHBondContact O-CA 3.38Å; T277-V300 PolarHBondContact O-N 2.91Å; T277-T301 HydrophobicContact CG2-CG2 4.15Å
278	V	98.1	Very high	95.1	Very high	29 Å²	29	64 Å²	64	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.6	179.7	-177.2	0	0	0	0	109.4	F242 A273 S274 E275 S298 I299 L322	F242-V278 HydrophobicContact CB-CG2 4.11Å; F242-V278 HydrophobicContact CD2-CG2 3.79Å; F242-V278 HydrophobicContact CG-CG2 4.3Å; A273-V278 HydrophobicContact CB-CB 4.15Å; A273-V278 HydrophobicContact CB-CG2 3.91Å; S274-V278 PolarHBondContact O-N 3.24Å; E275-V278 WeakPolarHBondContact CA-O 3.43Å; V278-S298 CarbonylContact C-O 3.5Å; V278-S298 WeakPolarHBondContact CA-O 3.48Å; V278-I299 HydrophobicContact CG2-CG1 4.36Å; V278-L322 HydrophobicContact CG1-CD1 4.16Å; V278-L322 HydrophobicContact CG2-CD1 4.47Å
279	K	98	Very high	95.8	Very high	94 Å²	94	61.6 Å²	61.6	41%	0.409	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.7	178.8	-172.4	171.6	-177.2	171.7	0	110.3	I281 S298 V300	K279-I281 HydrophobicContact CB-CG1 4.37Å; K279-I281 HydrophobicContact CG-CG1 4.29Å; K279-I281 PolarHBondContact O-N 3.11Å; K279-S298 PolarHBondContact N-O 2.92Å; K279-S298 PolarHBondContact O-N 3.43Å; K279-V300 HydrophobicContact CB-CG1 3.8Å; K279-V300 HydrophobicContact CB-CG2 4.41Å
280	R	97.9	Very high	96.4	Very high	172 Å²	172	52.7 Å²	52.7	65%	0.649	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.5	168.4	-169.9	172.2	-177	-93.9	6.8	109.7	P295 F296	R280-P295 VanDerWaalsContact NH2-CG 3.32Å; R280-F296 CarbonylContact C-O 3.23Å; R280-F296 VanDerWaalsContact CA-O 3.3Å; R280-F296 WeakPolarHBondContact CA-O 3.35Å
281	I	98.5	Very high	97.1	Very high	17 Å²	17	54.3 Å²	54.3	9%	0.087	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.3	-178.9	-56.9	-176.3	0	0	0	109.4	K279 P295 F296 V300 D318	K279-I281 HydrophobicContact CB-CG1 4.37Å; K279-I281 HydrophobicContact CG-CG1 4.29Å; K279-I281 PolarHBondContact O-N 3.11Å; I281-P295 WeakPolarHBondContact O-CA 3.13Å; I281-F296 PolarHBondContact N-O 2.84Å; I281-F296 PolarHBondContact O-N 3.49Å; I281-V300 HydrophobicContact CD1-CG1 4.18Å; I281-D318 HydrophobicContact CD1-CB 4.38Å; I281-D318 WeakPolarHBondContact CD1-O 3.48Å
282	V	98.3	Very high	97.5	Very high	73 Å²	73	55.9 Å²	55.9	44%	0.442	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.3	177.4	-179.5	0	0	0	0	109.1	I293	V282-I293 HydrophobicContact CG1-CB 3.6Å; V282-I293 HydrophobicContact CG1-CD1 3.94Å; V282-I293 HydrophobicContact CG1-CG1 4.23Å; V282-I293 HydrophobicContact CG1-CG2 4.1Å
283	R	97.9	Very high	97.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.1	-179.5	-61.1	-58.8	-174.2	-163.2	-2.7	111.1	W285 I293 K294 F296 D318 G319 D321 R391	R283-W285 HydrophobicContact CB-CE3 4.19Å; R283-W285 HydrophobicContact CB-CZ3 4.43Å; R283-I293 CarbonylContact O-C 3.48Å; R283-I293 WeakPolarHBondContact O-CA 3.29Å; R283-K294 WeakPolarHBondContact CB-O 3.34Å; R283-K294 PolarHBondContact N-O 3.01Å; R283-K294 PolarHBondContact O-N 3.37Å; R283-F296 HydrophobicContact CB-CD2 4.06Å; R283-F296 HydrophobicContact CB-CE2 3.99Å; R283-F296 HydrophobicContact CG-CD2 3.38Å; R283-F296 HydrophobicContact CG-CE2 3.68Å; R283-F296 HydrophobicContact CG-CG 4.33Å; R283-D318 IonicContact CZ-OD1 3.73Å; R283-D318 IonicContact NH1-OD1 3.49Å; R283-D318 PolarHBondContact NH1-OD1 2.65Å; R283-D318 IonicContact NH1-OD2 2.71Å; R283-D318 PolarHBondContact NH1-OD2 3.14Å; R283-D318 IonicContact NH2-OD1 3.49Å; R283-D318 PolarHBondContact NH2-OD1 2.82Å; R283-G319 PolarHBondContact NH2-O 3.49Å; R283-D321 IonicContact CZ-OD1 2.75Å; R283-D321 IonicContact CZ-OD2 3.89Å; R283-D321 IonicContact NE-OD1 2.6Å; R283-D321 PolarHBondContact NE-OD1 2.92Å; R283-D321 IonicContact NE-OD2 3.4Å; R283-D321 PolarHBondContact NE-OD2 2.87Å; R283-D321 IonicContact NH2-OD1 3.18Å; R283-D321 PolarHBondContact NH2-OD1 3.01Å; R283-D321 IonicContact NH2-OD2 2.82Å; R283-R391 WeakPolarHBondContact CB-O 3.39Å; R283-R391 WeakPolarHBondContact CD-O 3.31Å
284	P	97.8	Very high	97.9	Very high	66 Å²	66	57.8 Å²	57.8	43%	0.429	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137.5	165	-17.2	30.6	0	0	0	110.3
285	W	98.3	Very high	97.9	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	90.1	-171.2	-150.6	-96.5	0	0	0	112.3	R283 F292 K294 F296 Q441 D459	R283-W285 HydrophobicContact CB-CE3 4.19Å; R283-W285 HydrophobicContact CB-CZ3 4.43Å; W285-F292 HydrophobicContact CB-CB 4.22Å; W285-F292 PolarHBondContact N-O 2.88Å; W285-F292 WeakPolarHBondContact O-CA 3.33Å; W285-F292 WeakPolarHBondContact O-CB 3.44Å; W285-F292 PolarHBondContact O-N 2.9Å; W285-K294 HydrophobicContact CB-CB 4.04Å; W285-K294 HydrophobicContact CD2-CB 3.82Å; W285-K294 HydrophobicContact CD2-CD 3.81Å; W285-K294 HydrophobicContact CD2-CG 4.47Å; W285-K294 HydrophobicContact CE3-CB 3.87Å; W285-K294 HydrophobicContact CE3-CD 4.11Å; W285-K294 HydrophobicContact CG-CB 3.91Å; W285-K294 HydrophobicContact CG-CD 4.36Å; W285-K294 HydrophobicContact CH2-CD 3.93Å; W285-K294 HydrophobicContact CZ2-CD 3.7Å; W285-K294 HydrophobicContact CZ3-CD 4.16Å; W285-F296 HydrophobicContact CE3-CE2 4.2Å; W285-F296 HydrophobicContact CH2-CE2 4.07Å; W285-F296 AromaticContact CH2-CZ 3.59Å; W285-F296 HydrophobicContact CH2-CZ 3.59Å; W285-F296 AromaticContact CZ3-CE2 3.61Å; W285-F296 HydrophobicContact CZ3-CE2 3.61Å; W285-F296 AromaticContact CZ3-CZ 3.6Å; W285-F296 HydrophobicContact CZ3-CZ 3.6Å; W285-Q441 VanDerWaalsContact CD1-O 3.29Å; W285-Q441 PolarHBondContact NE1-O 2.6Å; W285-D459 HydrophobicContact CZ2-CB 4.24Å
286	V	98.5	Very high	98	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.297	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.5	179.6	-177.5	0	0	0	0	110.4	S393 Y395 A396	V286-S393 VanDerWaalsContact O-CB 3.31Å; V286-S393 WeakPolarHBondContact O-CB 3.3Å; V286-S393 PolarHBondContact O-OG 3Å; V286-Y395 HydrophobicContact CG1-CD1 4.16Å; V286-Y395 HydrophobicContact CG1-CE1 4.3Å; V286-A396 HydrophobicContact CB-CB 4.22Å
287	T	98.5	Very high	98	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.031	28%	0.283	C	S	.	.			trans	-134	-177.9	-179.6	65.5	0	0	0	0	110.1	V289 G290 F292 Y395 P440 Q441 Q443 Y444	T287-V289 PolarHBondContact O-N 3.22Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.28Å; T287-V289 PolarHBondContact OG1-N 3Å; T287-G290 PolarHBondContact N-O 3.07Å; T287-G290 PolarHBondContact OG1-N 2.85Å; T287-G290 PolarHBondContact OG1-O 3.12Å; T287-F292 HydrophobicContact CG2-CD2 4.07Å; T287-F292 HydrophobicContact CG2-CE2 4.24Å; T287-F292 WeakPolarHBondContact OG1-CE2 3.24Å; T287-Y395 VanDerWaalsContact C-CD1 3.46Å; T287-Y395 VanDerWaalsContact C-CE1 3.47Å; T287-Y395 VanDerWaalsContact O-CE1 3.22Å; T287-Y395 WeakPolarHBondContact O-CE1 3.45Å; T287-P440 WeakPolarHBondContact CG2-O 3.48Å; T287-P440 PolarHBondContact OG1-O 2.8Å; T287-Q441 WeakPolarHBondContact CG2-O 3.2Å; T287-Q443 WeakPolarHBondContact CB-O 2.96Å; T287-Y444 HydrophobicContact CG2-CD1 4.34Å; T287-Y444 HydrophobicContact CG2-CE1 4.03Å
288	A	97.7	Very high	98	Very high	24 Å²	24	50.4 Å²	50.4	20%	0.198	28%	0.283	C	S	.	.	S	Bend	trans	-65.6	-20.8	173.9	0	0	0	0	0	113.1	Y395 Q443 K446	A288-Y395 HydrophobicContact CB-CD2 4.46Å; A288-Y395 HydrophobicContact CB-CE2 3.9Å; A288-Q443 VanDerWaalsContact CB-O 3.28Å; A288-Q443 WeakPolarHBondContact CB-O 3.45Å; A288-Q443 PolarHBondContact N-O 3.02Å; A288-K446 HydrophobicContact CB-CG 4.02Å
289	V	97.2	Very high	98	Very high	83 Å²	83	49 Å²	49	50%	0.503	28%	0.275	S	S	.	.	S	Bend	trans	-108.7	-11.4	-174.5	-61.7	0	0	0	0	114.7	T287 F292 P440 Q443	T287-V289 PolarHBondContact O-N 3.22Å; T287-V289 WeakPolarHBondContact OG1-CG2 3.28Å; T287-V289 PolarHBondContact OG1-N 3Å; V289-F292 HydrophobicContact CG2-CE2 4.13Å; V289-F292 HydrophobicContact CG2-CZ 4.27Å; V289-P440 HydrophobicContact CG2-CB 4.01Å; V289-P440 WeakPolarHBondContact CG2-O 3.19Å; V289-Q443 HydrophobicContact CG1-CB 4.26Å; V289-Q443 HydrophobicContact CG2-CB 4.29Å
290	G	97.8	Very high	98.1	Very high	28 Å²	28	46 Å²	46	29%	0.289	26%	0.264	S	S	.	.			trans	163.9	-174.2	177.1	0	0	0	0	0	114.5	T287	T287-G290 PolarHBondContact N-O 3.07Å; T287-G290 PolarHBondContact OG1-N 2.85Å; T287-G290 PolarHBondContact OG1-O 3.12Å
291	S	98.4	Very high	98.1	Very high	99 Å²	99	37.9 Å²	37.9	69%	0.692	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.7	178.1	-60.2	0	0	0	0	110.3
292	F	98.3	Very high	98.1	Very high	66 Å²	66	42 Å²	42	29%	0.289	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	179.7	-179.3	-56.2	-86.6	0	0	0	110.2	W285 T287 V289 P440 Q441	W285-F292 HydrophobicContact CB-CB 4.22Å; W285-F292 PolarHBondContact N-O 2.88Å; W285-F292 WeakPolarHBondContact O-CA 3.33Å; W285-F292 WeakPolarHBondContact O-CB 3.44Å; W285-F292 PolarHBondContact O-N 2.9Å; T287-F292 HydrophobicContact CG2-CD2 4.07Å; T287-F292 HydrophobicContact CG2-CE2 4.24Å; T287-F292 WeakPolarHBondContact OG1-CE2 3.24Å; V289-F292 HydrophobicContact CG2-CE2 4.13Å; V289-F292 HydrophobicContact CG2-CZ 4.27Å; F292-P440 HydrophobicContact CE1-CB 4.03Å; F292-P440 HydrophobicContact CE2-CB 4.13Å; F292-P440 HydrophobicContact CZ-CB 3.46Å; F292-P440 VanDerWaalsContact CZ-CB 3.46Å; F292-Q441 HydrophobicContact CB-CG 3.77Å; F292-Q441 HydrophobicContact CD1-CG 3.86Å; F292-Q441 HydrophobicContact CD2-CG 3.92Å; F292-Q441 HydrophobicContact CE1-CG 4.44Å; F292-Q441 HydrophobicContact CE2-CG 4.49Å; F292-Q441 HydrophobicContact CG-CG 3.57Å
293	I	97.5	Very high	98.1	Very high	117 Å²	117	39.1 Å²	39.1	60%	0.6	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.3	164.7	56.8	169.7	0	0	0	108.4	V282 R283 Q441	V282-I293 HydrophobicContact CG1-CB 3.6Å; V282-I293 HydrophobicContact CG1-CD1 3.94Å; V282-I293 HydrophobicContact CG1-CG1 4.23Å; V282-I293 HydrophobicContact CG1-CG2 4.1Å; R283-I293 CarbonylContact O-C 3.48Å; R283-I293 WeakPolarHBondContact O-CA 3.29Å; I293-Q441 PolarHBondContact O-OE1 3.22Å
294	K	97.4	Very high	98.1	Very high	19 Å²	19	39 Å²	39	8%	0.083	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.2	178.7	-169.5	172.6	177.2	-176	0	110.6	R283 W285 F296 D459	R283-K294 WeakPolarHBondContact CB-O 3.34Å; R283-K294 PolarHBondContact N-O 3.01Å; R283-K294 PolarHBondContact O-N 3.37Å; W285-K294 HydrophobicContact CB-CB 4.04Å; W285-K294 HydrophobicContact CD2-CB 3.82Å; W285-K294 HydrophobicContact CD2-CD 3.81Å; W285-K294 HydrophobicContact CD2-CG 4.47Å; W285-K294 HydrophobicContact CE3-CB 3.87Å; W285-K294 HydrophobicContact CE3-CD 4.11Å; W285-K294 HydrophobicContact CG-CB 3.91Å; W285-K294 HydrophobicContact CG-CD 4.36Å; W285-K294 HydrophobicContact CH2-CD 3.93Å; W285-K294 HydrophobicContact CZ2-CD 3.7Å; W285-K294 HydrophobicContact CZ3-CD 4.16Å; K294-F296 HydrophobicContact CB-CE2 3.87Å; K294-F296 HydrophobicContact CD-CE2 3.75Å; K294-F296 HydrophobicContact CD-CZ 3.71Å; K294-F296 HydrophobicContact CG-CD2 4.33Å; K294-F296 HydrophobicContact CG-CE2 3.6Å; K294-F296 HydrophobicContact CG-CZ 4.05Å; K294-F296 WeakPolarHBondContact O-CD2 3.35Å; K294-D459 IonicContact NZ-OD1 2.59Å; K294-D459 PolarHBondContact NZ-OD1 3.29Å; K294-D459 IonicContact NZ-OD2 2.59Å; K294-D459 PolarHBondContact NZ-OD2 3.23Å; K294-D459 VanDerWaalsContact NZ-OD2 3.12Å
295	P	97.7	Very high	98.2	Very high	52 Å²	52	36.6 Å²	36.6	34%	0.338	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	136	178.9	32.5	-32.9	0	0	0	111.6	R280 I281	R280-P295 VanDerWaalsContact NH2-CG 3.32Å; I281-P295 WeakPolarHBondContact O-CA 3.13Å
296	F	98.1	Very high	98.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149	173.9	-70	-99.5	0	0	0	110	R280 I281 R283 W285 K294 D321 N324 E336	R280-F296 CarbonylContact C-O 3.23Å; R280-F296 VanDerWaalsContact CA-O 3.3Å; R280-F296 WeakPolarHBondContact CA-O 3.35Å; I281-F296 PolarHBondContact N-O 2.84Å; I281-F296 PolarHBondContact O-N 3.49Å; R283-F296 HydrophobicContact CB-CD2 4.06Å; R283-F296 HydrophobicContact CB-CE2 3.99Å; R283-F296 HydrophobicContact CG-CD2 3.38Å; R283-F296 HydrophobicContact CG-CE2 3.68Å; R283-F296 HydrophobicContact CG-CG 4.33Å; W285-F296 HydrophobicContact CE3-CE2 4.2Å; W285-F296 HydrophobicContact CH2-CE2 4.07Å; W285-F296 AromaticContact CH2-CZ 3.59Å; W285-F296 HydrophobicContact CH2-CZ 3.59Å; W285-F296 AromaticContact CZ3-CE2 3.61Å; W285-F296 HydrophobicContact CZ3-CE2 3.61Å; W285-F296 AromaticContact CZ3-CZ 3.6Å; W285-F296 HydrophobicContact CZ3-CZ 3.6Å; K294-F296 HydrophobicContact CB-CE2 3.87Å; K294-F296 HydrophobicContact CD-CE2 3.75Å; K294-F296 HydrophobicContact CD-CZ 3.71Å; K294-F296 HydrophobicContact CG-CD2 4.33Å; K294-F296 HydrophobicContact CG-CE2 3.6Å; K294-F296 HydrophobicContact CG-CZ 4.05Å; K294-F296 WeakPolarHBondContact O-CD2 3.35Å; F296-D321 HydrophobicContact CB-CB 4.02Å; F296-D321 HydrophobicContact CD1-CB 3.73Å; F296-D321 HydrophobicContact CE1-CB 4.46Å; F296-D321 HydrophobicContact CG-CB 4.05Å; F296-N324 WeakPolarHBondContact CD1-OD1 3.46Å; F296-N324 WeakPolarHBondContact CE1-OD1 3.31Å; F296-E336 HydrophobicContact CE1-CG 4.15Å
297	S	97.9	Very high	98.2	Very high	60 Å²	60	38.4 Å²	38.4	42%	0.42	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.5	158.8	-67	0	0	0	0	107.1	L322	S297-L322 VanDerWaalsContact O-CB 3.29Å; S297-L322 WeakPolarHBondContact O-CB 3.29Å; S297-L322 PolarHBondContact O-N 3.19Å
298	S	98.6	Very high	98.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.8	-172.5	-43.2	0	0	0	0	110.4	V278 K279 I320 D321	V278-S298 CarbonylContact C-O 3.5Å; V278-S298 WeakPolarHBondContact CA-O 3.48Å; K279-S298 PolarHBondContact N-O 2.92Å; K279-S298 PolarHBondContact O-N 3.43Å; S298-I320 CarbonylContact C-O 3.57Å; S298-I320 WeakPolarHBondContact CA-O 3.31Å; S298-D321 WeakPolarHBondContact CB-OD1 3.01Å; S298-D321 PolarHBondContact OG-OD1 2.89Å
299	I	98.6	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.8	171.1	-57.9	173.6	0	0	0	108.5	F242 T277 V278 T301 L304 G319 I320 L322 F335 F362	F242-I299 HydrophobicContact CE1-CD1 4.3Å; F242-I299 HydrophobicContact CE2-CD1 4.16Å; F242-I299 HydrophobicContact CZ-CD1 3.95Å; T277-I299 CarbonylContact O-C 3.56Å; T277-I299 VanDerWaalsContact O-CA 3.27Å; T277-I299 WeakPolarHBondContact O-CA 3.38Å; V278-I299 HydrophobicContact CG2-CG1 4.36Å; I299-T301 HydrophobicContact CG2-CG2 3.93Å; I299-L304 HydrophobicContact CB-CD2 3.5Å; I299-L304 HydrophobicContact CD1-CD2 4.17Å; I299-L304 HydrophobicContact CG1-CD2 4.43Å; I299-L304 HydrophobicContact CG2-CD2 3.33Å; I299-G319 CarbonylContact O-C 3.54Å; I299-G319 WeakPolarHBondContact O-CA 3.34Å; I299-I320 PolarHBondContact N-O 3.39Å; I299-I320 PolarHBondContact O-N 3.26Å; I299-L322 HydrophobicContact CD1-CD2 3.78Å; I299-L322 HydrophobicContact CD1-CG 4.46Å; I299-L322 HydrophobicContact CG1-CD1 4.06Å; I299-L322 HydrophobicContact CG1-CD2 3.96Å; I299-L322 HydrophobicContact CG1-CG 4.08Å; I299-F335 HydrophobicContact CD1-CE1 4.23Å; I299-F362 HydrophobicContact CD1-CD2 4.02Å; I299-F362 HydrophobicContact CD1-CE2 4.24Å
300	V	98.5	Very high	98.3	Very high	30 Å²	30	43.1 Å²	43.1	18%	0.182	24%	0.242	C	C	.	.			trans	-117.5	17.7	-173.8	-59.9	0	0	0	0	113.3	E275 T277 K279 I281 D318	E275-V300 VanDerWaalsContact O-CG2 3.27Å; E275-V300 WeakPolarHBondContact O-CG2 3.48Å; T277-V300 PolarHBondContact O-N 2.91Å; K279-V300 HydrophobicContact CB-CG1 3.8Å; K279-V300 HydrophobicContact CB-CG2 4.41Å; I281-V300 HydrophobicContact CD1-CG1 4.18Å; V300-D318 WeakPolarHBondContact CG1-O 3.48Å
301	T	98.5	Very high	98.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	24%	0.235	C	C	.	.			trans	-71.7	151.6	-177.2	60.8	0	0	0	0	112.4	M245 L253 T277 I299 L305 D365	M245-T301 HydrophobicContact CE-CG2 3.95Å; L253-T301 HydrophobicContact CD1-CG2 4.42Å; T277-T301 HydrophobicContact CG2-CG2 4.15Å; I299-T301 HydrophobicContact CG2-CG2 3.93Å; T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.33Å; T301-L305 PolarHBondContact O-N 3.4Å; T301-D365 WeakPolarHBondContact CB-OD2 3.34Å; T301-D365 HydrophobicContact CG2-CB 4.29Å; T301-D365 WeakPolarHBondContact OG1-CB 3.34Å; T301-D365 PolarHBondContact OG1-OD2 2.95Å
302	P	98.3	Very high	98.4	Very high	104 Å²	104	38.5 Å²	38.5	68%	0.675	20%	0.202	S	C	*	.	H	α-helix	trans	-65.7	-48.4	-162.1	-24.4	35.9	0	0	0	115.6	L305 D306	P302-L305 PolarHBondContact O-N 3.34Å; P302-D306 WeakPolarHBondContact O-CB 3.4Å; P302-D306 PolarHBondContact O-N 3.13Å
303	A	98.5	Very high	98.4	Very high	13 Å²	13	39.9 Å²	39.9	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-71.2	-40.3	-177.1	0	0	0	0	0	111.3	L305 D306 E307 A361 Q364 D365	A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 2.89Å; A303-D306 PolarHBondContact O-N 3.1Å; A303-E307 PolarHBondContact O-N 3.42Å; A303-A361 HydrophobicContact CB-CB 4.15Å; A303-Q364 VanDerWaalsContact CB-NE2 3.25Å; A303-D365 WeakPolarHBondContact CA-OD2 3.47Å; A303-D365 WeakPolarHBondContact CB-OD1 3.36Å; A303-D365 PolarHBondContact N-OD1 2.84Å; A303-D365 VanDerWaalsContact N-OD1 3.17Å; A303-D365 PolarHBondContact N-OD2 2.88Å
304	L	98.6	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.7	-45.5	175.8	-178.2	72.1	0	0	0	110.9	I299 G308 I320 F335 L358 A361 F362 D365	I299-L304 HydrophobicContact CB-CD2 3.5Å; I299-L304 HydrophobicContact CD1-CD2 4.17Å; I299-L304 HydrophobicContact CG1-CD2 4.43Å; I299-L304 HydrophobicContact CG2-CD2 3.33Å; L304-G308 PolarHBondContact O-N 3.49Å; L304-I320 HydrophobicContact CD1-CG1 4.39Å; L304-I320 HydrophobicContact CD2-CB 4.04Å; L304-I320 HydrophobicContact CD2-CG1 3.97Å; L304-I320 HydrophobicContact CG-CB 4.38Å; L304-I320 HydrophobicContact CG-CG1 3.78Å; L304-F335 HydrophobicContact CD1-CE1 4.13Å; L304-F335 HydrophobicContact CD1-CZ 3.76Å; L304-F335 HydrophobicContact CD2-CE1 4.15Å; L304-L358 HydrophobicContact CD1-CD1 3.57Å; L304-L358 HydrophobicContact CD1-CG 3.66Å; L304-L358 WeakPolarHBondContact CD1-O 3.43Å; L304-L358 HydrophobicContact CG-CD1 4.32Å; L304-A361 HydrophobicContact CB-CB 4.48Å; L304-F362 HydrophobicContact CD1-CB 4.3Å; L304-D365 PolarHBondContact N-OD2 3.35Å
305	L	98.5	Very high	98.5	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-38.7	179.6	-168	58.1	0	0	0	112	T301 P302 A303 G308 R309 L317	T301-L305 VanDerWaalsContact O-CB 3.27Å; T301-L305 WeakPolarHBondContact O-CB 3.33Å; T301-L305 PolarHBondContact O-N 3.4Å; P302-L305 PolarHBondContact O-N 3.34Å; A303-L305 VanDerWaalsContact C-N 3.3Å; A303-L305 PolarHBondContact O-N 2.89Å; L305-G308 PolarHBondContact O-N 2.86Å; L305-R309 VanDerWaalsContact CD2-NH2 3.32Å; L305-R309 WeakPolarHBondContact O-CB 3.24Å; L305-R309 WeakPolarHBondContact O-CG 3.38Å; L305-R309 PolarHBondContact O-N 2.87Å; L305-L317 HydrophobicContact CD1-CB 4.26Å; L305-L317 HydrophobicContact CD1-CD2 4.39Å; L305-L317 HydrophobicContact CD1-CG 3.94Å; L305-L317 WeakPolarHBondContact CD1-O 3.33Å
306	D	98.6	Very high	98.4	Very high	67 Å²	67	41 Å²	41	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-46.6	175.6	-175.4	46.6	0	0	0	112.1	P302 A303 G308 R309 K310	P302-D306 WeakPolarHBondContact O-CB 3.4Å; P302-D306 PolarHBondContact O-N 3.13Å; A303-D306 PolarHBondContact O-N 3.1Å; D306-G308 PolarHBondContact O-N 3.23Å; D306-R309 PolarHBondContact O-N 3.12Å; D306-K310 VanDerWaalsContact CG-CE 3.5Å; D306-K310 WeakPolarHBondContact O-CG 3.39Å; D306-K310 PolarHBondContact O-N 2.88Å; D306-K310 VanDerWaalsContact OD1-CE 3.23Å; D306-K310 WeakPolarHBondContact OD1-CE 3.5Å; D306-K310 IonicContact OD1-NZ 2.74Å; D306-K310 VanDerWaalsContact OD2-CE 3.23Å; D306-K310 WeakPolarHBondContact OD2-CE 3.05Å; D306-K310 IonicContact OD2-NZ 3.87Å; D306-K310 PolarHBondContact OD2-NZ 3.2Å
307	E	98.7	Very high	98.4	Very high	21 Å²	21	40.9 Å²	40.9	10%	0.098	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-41.3	174.7	-71.3	-62.5	154.7	0	0	111.8	A303 K310 H311 R357 A361	A303-E307 PolarHBondContact O-N 3.42Å; E307-K310 PolarHBondContact O-N 3.06Å; E307-H311 VanDerWaalsContact O-CB 3.25Å; E307-H311 WeakPolarHBondContact O-CB 3.44Å; E307-H311 PolarHBondContact O-N 2.83Å; E307-R357 VanDerWaalsContact CD-NE 3.3Å; E307-R357 HydrophobicContact CG-CB 4.28Å; E307-R357 IonicContact OE1-CZ 3.22Å; E307-R357 IonicContact OE1-NE 2.98Å; E307-R357 PolarHBondContact OE1-NE 2.92Å; E307-R357 IonicContact OE1-NH2 2.67Å; E307-R357 PolarHBondContact OE1-NH2 3.24Å; E307-R357 WeakPolarHBondContact OE2-CB 3.19Å; E307-R357 WeakPolarHBondContact OE2-CD 3.38Å; E307-R357 IonicContact OE2-CZ 2.73Å; E307-R357 IonicContact OE2-NE 2.83Å; E307-R357 PolarHBondContact OE2-NE 2.79Å; E307-R357 IonicContact OE2-NH2 3.84Å; E307-A361 HydrophobicContact CB-CB 4.28Å; E307-A361 HydrophobicContact CG-CB 3.82Å
308	G	98.7	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-47.8	173.9	0	0	0	0	0	113	L304 L305 D306 K310 H311 Y312	L304-G308 PolarHBondContact O-N 3.49Å; L305-G308 PolarHBondContact O-N 2.86Å; D306-G308 PolarHBondContact O-N 3.23Å; G308-K310 VanDerWaalsContact C-N 3.32Å; G308-K310 PolarHBondContact O-N 2.58Å; G308-H311 PolarHBondContact O-N 3.5Å; G308-Y312 WeakPolarHBondContact O-CD2 3.33Å; G308-Y312 PolarHBondContact O-N 3.38Å
309	R	98.8	Very high	98.5	Very high	93 Å²	93	40.7 Å²	40.7	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-45.1	178	-74.3	170.6	176	163.2	-1.3	111.8	L305 D306 N313 C314 P315 L317	L305-R309 VanDerWaalsContact CD2-NH2 3.32Å; L305-R309 WeakPolarHBondContact O-CB 3.24Å; L305-R309 WeakPolarHBondContact O-CG 3.38Å; L305-R309 PolarHBondContact O-N 2.87Å; D306-R309 PolarHBondContact O-N 3.12Å; R309-N313 VanDerWaalsContact O-CA 3.32Å; R309-N313 WeakPolarHBondContact O-CA 3.46Å; R309-N313 PolarHBondContact O-N 2.9Å; R309-N313 VanDerWaalsContact O-N 3.11Å; R309-C314 VanDerWaalsContact CG-O 3.31Å; R309-C314 WeakPolarHBondContact CG-O 3.4Å; R309-C314 PolarHBondContact O-N 3.5Å; R309-P315 WeakPolarHBondContact CD-O 3.38Å; R309-P315 PolarHBondContact NE-O 3.18Å; R309-P315 VanDerWaalsContact NE-O 3.16Å; R309-L317 HydrophobicContact CG-CB 3.77Å; R309-L317 VanDerWaalsContact CZ-O 3.29Å; R309-L317 PolarHBondContact NE-O 3.47Å; R309-L317 PolarHBondContact NH2-O 2.87Å
310	K	98.6	Very high	98.5	Very high	117 Å²	117	40.8 Å²	40.8	51%	0.509	22%	0.217	S	C	.	.	H	α-helix	trans	-65.4	-50	177.7	-70.6	171.4	-170.2	164.7	0	111.5	D306 E307 G308 N313	D306-K310 VanDerWaalsContact CG-CE 3.5Å; D306-K310 WeakPolarHBondContact O-CG 3.39Å; D306-K310 PolarHBondContact O-N 2.88Å; D306-K310 VanDerWaalsContact OD1-CE 3.23Å; D306-K310 WeakPolarHBondContact OD1-CE 3.5Å; D306-K310 IonicContact OD1-NZ 2.74Å; D306-K310 VanDerWaalsContact OD2-CE 3.23Å; D306-K310 WeakPolarHBondContact OD2-CE 3.05Å; D306-K310 IonicContact OD2-NZ 3.87Å; D306-K310 PolarHBondContact OD2-NZ 3.2Å; E307-K310 PolarHBondContact O-N 3.06Å; G308-K310 VanDerWaalsContact C-N 3.32Å; G308-K310 PolarHBondContact O-N 2.58Å; K310-N313 PolarHBondContact O-N 3.12Å
311	H	98.6	Very high	98.5	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-52.6	-176.1	179.8	76.7	0	0	0	112.2	E307 G308 N313 W379 Y381 K383 N384	E307-H311 VanDerWaalsContact O-CB 3.25Å; E307-H311 WeakPolarHBondContact O-CB 3.44Å; E307-H311 PolarHBondContact O-N 2.83Å; G308-H311 PolarHBondContact O-N 3.5Å; H311-N313 PolarHBondContact O-N 3.4Å; H311-W379 AromaticContact CD2-CE3 3.67Å; H311-W379 AromaticContact CD2-CH2 3.63Å; H311-W379 AromaticContact CD2-CZ3 3.28Å; H311-W379 WeakPolarHBondContact CD2-CZ3 3.43Å; H311-W379 AromaticContact CE1-CD2 3.58Å; H311-W379 AromaticContact CE1-CE3 3.31Å; H311-W379 AromaticContact CE1-CZ3 3.79Å; H311-W379 PolarHBondContact CE1-O 2.89Å; H311-W379 VanDerWaalsContact CE1-O 3.27Å; H311-W379 AromaticContact CG-CE3 3.84Å; H311-W379 AromaticContact CG-CZ3 3.71Å; H311-W379 AromaticContact ND1-CE3 3.68Å; H311-W379 AromaticContact NE2-CD2 3.6Å; H311-W379 AromaticContact NE2-CE2 3.86Å; H311-W379 AromaticContact NE2-CE3 3.31Å; H311-W379 VanDerWaalsContact NE2-CE3 3.31Å; H311-W379 AromaticContact NE2-CH2 3.56Å; H311-W379 AromaticContact NE2-CZ2 3.78Å; H311-W379 AromaticContact NE2-CZ3 3.33Å; H311-W379 VanDerWaalsContact NE2-CZ3 3.33Å; H311-W379 WeakPolarHBondContact NE2-CZ3 3.02Å; H311-Y381 PolarHBondContact NE2-O 3.38Å; H311-K383 CarbonylContact O-C 3.57Å; H311-K383 WeakPolarHBondContact O-CA 3.28Å; H311-N384 PolarHBondContact O-N 3.15Å
312	Y	98.6	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-76.7	-10.8	-179	-63.3	-68.4	0	0	0	113.1	G308 C314 L317 I320 V339 W379 G382 N384 L385 G386 F389 V390	G308-Y312 WeakPolarHBondContact O-CD2 3.33Å; G308-Y312 PolarHBondContact O-N 3.38Å; Y312-C314 VanDerWaalsContact C-N 3.33Å; Y312-L317 HydrophobicContact CD2-CD2 3.96Å; Y312-L317 HydrophobicContact CE2-CD2 4.45Å; Y312-I320 HydrophobicContact CE2-CD1 4.42Å; Y312-V339 PolarHBondContact OH-O 3.36Å; Y312-W379 HydrophobicContact CE1-CH2 4.3Å; Y312-W379 AromaticContact CZ-CH2 3.83Å; Y312-W379 WeakPolarHBondContact OH-CH2 3.37Å; Y312-G382 VanDerWaalsContact CD1-O 3.26Å; Y312-G382 WeakPolarHBondContact CD1-O 3.3Å; Y312-N384 CarbonylContact O-C 3.6Å; Y312-L385 PolarHBondContact O-N 3.21Å; Y312-G386 VanDerWaalsContact O-CA 3.25Å; Y312-G386 WeakPolarHBondContact O-CA 3.39Å; Y312-G386 PolarHBondContact O-N 3.27Å; Y312-F389 AromaticContact CD1-CD1 3.98Å; Y312-F389 HydrophobicContact CD1-CD1 3.98Å; Y312-F389 HydrophobicContact CD1-CE1 4.22Å; Y312-F389 HydrophobicContact CE1-CD1 4.06Å; Y312-F389 AromaticContact CE1-CE1 3.86Å; Y312-F389 HydrophobicContact CE1-CE1 3.86Å; Y312-V390 HydrophobicContact CD1-CB 4Å; Y312-V390 HydrophobicContact CD1-CG1 4.48Å; Y312-V390 HydrophobicContact CD1-CG2 4.33Å; Y312-V390 HydrophobicContact CD2-CB 4.09Å; Y312-V390 HydrophobicContact CD2-CG1 4.24Å; Y312-V390 HydrophobicContact CD2-CG2 3.75Å; Y312-V390 HydrophobicContact CE1-CB 4.24Å; Y312-V390 HydrophobicContact CE1-CG2 4.24Å; Y312-V390 HydrophobicContact CE2-CB 4.33Å; Y312-V390 HydrophobicContact CE2-CG2 3.64Å; Y312-V390 HydrophobicContact CG-CB 3.93Å; Y312-V390 HydrophobicContact CG-CG1 4.02Å; Y312-V390 HydrophobicContact CG-CG2 4.11Å
313	N	98.4	Very high	98.3	Very high	96 Å²	96	34.6 Å²	34.6	51%	0.513	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	50.7	-165.9	-170.2	25.8	0	0	0	111.7	R309 K310 H311 N384	R309-N313 VanDerWaalsContact O-CA 3.32Å; R309-N313 WeakPolarHBondContact O-CA 3.46Å; R309-N313 PolarHBondContact O-N 2.9Å; R309-N313 VanDerWaalsContact O-N 3.11Å; K310-N313 PolarHBondContact O-N 3.12Å; H311-N313 PolarHBondContact O-N 3.4Å; N313-N384 HydrophobicContact CB-CB 4.35Å
314	C	98.7	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.			trans	-127.2	87.2	177	179	0	0	0	0	110.3	R309 Y312 N316 L317 C387 V390	R309-C314 VanDerWaalsContact CG-O 3.31Å; R309-C314 WeakPolarHBondContact CG-O 3.4Å; R309-C314 PolarHBondContact O-N 3.5Å; Y312-C314 VanDerWaalsContact C-N 3.33Å; C314-N316 PolarHBondContact O-N 3.37Å; C314-N316 VanDerWaalsContact O-N 3.15Å; C314-L317 HydrophobicContact CB-CB 4.34Å; C314-L317 WeakPolarHBondContact O-CB 3.46Å; C314-L317 PolarHBondContact O-N 3.29Å; C314-L317 VanDerWaalsContact O-N 3.08Å; C314-C387 WeakPolarHBondContact CA-SG 3.34Å; C314-C387 HydrophobicContact CB-CB 4Å; C314-C387 WeakPolarHBondContact CB-SG 3.45Å; C314-C387 WeakPolarHBondContact SG-CA 3.12Å; C314-C387 WeakPolarHBondContact SG-CB 3.32Å; C314-C387 CovalentContact SG-SG 2.04Å; C314-C387 PolarHBondContact SG-SG 3.02Å; C314-V390 HydrophobicContact CB-CG1 4.08Å
315	P	98.2	Very high	97.8	Very high	89 Å²	89	38 Å²	38	58%	0.578	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.9	-177.4	-26.9	35.4	0	0	0	114.4	R309 L317	R309-P315 WeakPolarHBondContact CD-O 3.38Å; R309-P315 PolarHBondContact NE-O 3.18Å; R309-P315 VanDerWaalsContact NE-O 3.16Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 2.96Å
316	N	96.8	Very high	97.2	Very high	121 Å²	121	39.8 Å²	39.8	65%	0.647	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	16.6	-178.8	-62.4	-20.2	0	0	0	113.3	C314 D318	C314-N316 PolarHBondContact O-N 3.37Å; C314-N316 VanDerWaalsContact O-N 3.15Å; N316-D318 PolarHBondContact O-N 3.17Å
317	L	98.6	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.			trans	-62.2	130.4	171.1	-169.5	59.7	0	0	0	108.9	L305 R309 Y312 C314 P315 G319 I320 V390 R391	L305-L317 HydrophobicContact CD1-CB 4.26Å; L305-L317 HydrophobicContact CD1-CD2 4.39Å; L305-L317 HydrophobicContact CD1-CG 3.94Å; L305-L317 WeakPolarHBondContact CD1-O 3.33Å; R309-L317 HydrophobicContact CG-CB 3.77Å; R309-L317 VanDerWaalsContact CZ-O 3.29Å; R309-L317 PolarHBondContact NE-O 3.47Å; R309-L317 PolarHBondContact NH2-O 2.87Å; Y312-L317 HydrophobicContact CD2-CD2 3.96Å; Y312-L317 HydrophobicContact CE2-CD2 4.45Å; C314-L317 HydrophobicContact CB-CB 4.34Å; C314-L317 WeakPolarHBondContact O-CB 3.46Å; C314-L317 PolarHBondContact O-N 3.29Å; C314-L317 VanDerWaalsContact O-N 3.08Å; P315-L317 VanDerWaalsContact C-N 3.32Å; P315-L317 PolarHBondContact O-N 2.96Å; L317-G319 WeakPolarHBondContact CD1-O 3.35Å; L317-I320 HydrophobicContact CD2-CD1 3.55Å; L317-I320 HydrophobicContact CG-CD1 4.38Å; L317-V390 HydrophobicContact CD1-CG1 3.92Å; L317-V390 HydrophobicContact CD1-CG2 3.86Å; L317-V390 HydrophobicContact CD2-CG2 4.34Å; L317-R391 HydrophobicContact CD1-CG 3.85Å
318	D	98.2	Very high	95.2	Very high	57 Å²	57	45 Å²	45	31%	0.305	25%	0.248	S	C	.	.			trans	-113.8	-4.2	-169.9	52.8	12.7	0	0	0	113	I281 R283 V300 N316 R391	I281-D318 HydrophobicContact CD1-CB 4.38Å; I281-D318 WeakPolarHBondContact CD1-O 3.48Å; R283-D318 IonicContact CZ-OD1 3.73Å; R283-D318 IonicContact NH1-OD1 3.49Å; R283-D318 PolarHBondContact NH1-OD1 2.65Å; R283-D318 IonicContact NH1-OD2 2.71Å; R283-D318 PolarHBondContact NH1-OD2 3.14Å; R283-D318 IonicContact NH2-OD1 3.49Å; R283-D318 PolarHBondContact NH2-OD1 2.82Å; V300-D318 WeakPolarHBondContact CG1-O 3.48Å; N316-D318 PolarHBondContact O-N 3.17Å; D318-R391 IonicContact OD2-NE 2.77Å; D318-R391 IonicContact OD2-NH2 3.35Å; D318-R391 PolarHBondContact OD2-NH2 2.9Å
319	G	98.6	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.			trans	177.7	159.2	174.9	0	0	0	0	0	110.9	R283 I299 L317	R283-G319 PolarHBondContact NH2-O 3.49Å; I299-G319 CarbonylContact O-C 3.54Å; I299-G319 WeakPolarHBondContact O-CA 3.34Å; L317-G319 WeakPolarHBondContact CD1-O 3.35Å
320	I	98.7	Very high	93.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.1	168.3	-55.9	-56.2	0	0	0	108	S298 I299 L304 Y312 L317 F335 L358	S298-I320 CarbonylContact C-O 3.57Å; S298-I320 WeakPolarHBondContact CA-O 3.31Å; I299-I320 PolarHBondContact N-O 3.39Å; I299-I320 PolarHBondContact O-N 3.26Å; L304-I320 HydrophobicContact CD1-CG1 4.39Å; L304-I320 HydrophobicContact CD2-CB 4.04Å; L304-I320 HydrophobicContact CD2-CG1 3.97Å; L304-I320 HydrophobicContact CG-CB 4.38Å; L304-I320 HydrophobicContact CG-CG1 3.78Å; Y312-I320 HydrophobicContact CE2-CD1 4.42Å; L317-I320 HydrophobicContact CD2-CD1 3.55Å; L317-I320 HydrophobicContact CG-CD1 4.38Å; I320-F335 HydrophobicContact CG2-CD1 3.6Å; I320-F335 HydrophobicContact CG2-CE1 3.78Å; I320-F335 HydrophobicContact CG2-CG 4.41Å; I320-L358 HydrophobicContact CD1-CD1 4.21Å; I320-L358 HydrophobicContact CG1-CD1 4.16Å; I320-L358 HydrophobicContact CG2-CD2 4.28Å
321	D	98.4	Very high	92.8	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	137.1	-174.3	-63	-13.9	0	0	0	110.3	R283 F296 S298 E336	R283-D321 IonicContact CZ-OD1 2.75Å; R283-D321 IonicContact CZ-OD2 3.89Å; R283-D321 IonicContact NE-OD1 2.6Å; R283-D321 PolarHBondContact NE-OD1 2.92Å; R283-D321 IonicContact NE-OD2 3.4Å; R283-D321 PolarHBondContact NE-OD2 2.87Å; R283-D321 IonicContact NH2-OD1 3.18Å; R283-D321 PolarHBondContact NH2-OD1 3.01Å; R283-D321 IonicContact NH2-OD2 2.82Å; F296-D321 HydrophobicContact CB-CB 4.02Å; F296-D321 HydrophobicContact CD1-CB 3.73Å; F296-D321 HydrophobicContact CE1-CB 4.46Å; F296-D321 HydrophobicContact CG-CB 4.05Å; S298-D321 WeakPolarHBondContact CB-OD1 3.01Å; S298-D321 PolarHBondContact OG-OD1 2.89Å; D321-E336 HydrophobicContact CB-CB 3.87Å; D321-E336 HydrophobicContact CB-CG 4.42Å; D321-E336 VanDerWaalsContact O-CB 3.32Å; D321-E336 WeakPolarHBondContact O-CB 3.33Å; D321-E336 PolarHBondContact O-N 2.79Å
322	L	98.1	Very high	92.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-90.7	152.4	171.2	-65.1	166.4	0	0	0	109.1	F242 V278 S297 I299 N324 H334	F242-L322 HydrophobicContact CD2-CD1 4.35Å; F242-L322 HydrophobicContact CE2-CD1 3.77Å; F242-L322 HydrophobicContact CE2-CD2 3.99Å; F242-L322 HydrophobicContact CZ-CD2 4.22Å; V278-L322 HydrophobicContact CG1-CD1 4.16Å; V278-L322 HydrophobicContact CG2-CD1 4.47Å; S297-L322 VanDerWaalsContact O-CB 3.29Å; S297-L322 WeakPolarHBondContact O-CB 3.29Å; S297-L322 PolarHBondContact O-N 3.19Å; I299-L322 HydrophobicContact CD1-CD2 3.78Å; I299-L322 HydrophobicContact CD1-CG 4.46Å; I299-L322 HydrophobicContact CG1-CD1 4.06Å; I299-L322 HydrophobicContact CG1-CD2 3.96Å; I299-L322 HydrophobicContact CG1-CG 4.08Å; L322-N324 PolarHBondContact O-N 2.95Å; L322-H334 CarbonylContact C-O 3.56Å; L322-H334 VanDerWaalsContact CA-O 3.27Å; L322-H334 WeakPolarHBondContact CA-O 3.37Å; L322-H334 VanDerWaalsContact CD2-O 3.31Å; L322-H334 WeakPolarHBondContact CD2-O 3.4Å
323	E	96.4	Very high	92.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.9	130.4	-179	-134.9	-59	-96.9	0	0	111.7	E325 V331 G332 H334 L457	E323-E325 WeakPolarHBondContact OE1-CA 3.27Å; E323-E325 VanDerWaalsContact OE1-CB 3.26Å; E323-E325 WeakPolarHBondContact OE1-CB 3.29Å; E323-E325 PolarHBondContact OE1-N 3.01Å; E323-E325 PolarHBondContact OE2-N 3.41Å; E323-V331 WeakPolarHBondContact O-CA 3.45Å; E323-G332 PolarHBondContact O-N 3Å; E323-H334 HydrophobicContact CB-CB 4.08Å; E323-H334 PolarHBondContact N-O 3.31Å; E323-L457 HydrophobicContact CG-CB 4.26Å; E323-L457 HydrophobicContact CG-CD1 4.15Å; E323-L457 WeakPolarHBondContact OE1-CD1 2.85Å; E323-L457 WeakPolarHBondContact OE1-CD2 3.43Å
324	N	94.7	Very high	92.2	Very high	53 Å²	53	33.1 Å²	33.1	28%	0.283	21%	0.207	S	C	.	.			trans	-107.9	-9.5	178.7	67	-110.1	0	0	0	114.3	F296 L322 E336 D459	F296-N324 WeakPolarHBondContact CD1-OD1 3.46Å; F296-N324 WeakPolarHBondContact CE1-OD1 3.31Å; L322-N324 PolarHBondContact O-N 2.95Å; N324-E336 PolarHBondContact OD1-OE2 3.35Å; N324-E336 VanDerWaalsContact OD1-OE2 3.12Å; N324-D459 PolarHBondContact ND2-OD1 2.79Å
325	E	91.1	Very high	92.1	Very high	31 Å²	31	33.1 Å²	33.1	15%	0.145	21%	0.207	C	C	.	.	S	Bend	trans	-98	179	173.8	-58.6	-169.1	99.8	0	0	111.9	E323 V331 L457 V458 D459	E323-E325 WeakPolarHBondContact OE1-CA 3.27Å; E323-E325 VanDerWaalsContact OE1-CB 3.26Å; E323-E325 WeakPolarHBondContact OE1-CB 3.29Å; E323-E325 PolarHBondContact OE1-N 3.01Å; E323-E325 PolarHBondContact OE2-N 3.41Å; E325-V331 WeakPolarHBondContact O-CG2 3.4Å; E325-L457 HydrophobicContact CB-CD2 3.73Å; E325-L457 WeakPolarHBondContact OE2-CA 3.26Å; E325-V458 PolarHBondContact OE2-N 3.27Å; E325-D459 WeakPolarHBondContact OE2-CA 3.48Å; E325-D459 PolarHBondContact OE2-N 3.35Å
326	G	85.4	Confident	92.1	Very high	52 Å²	52	28.9 Å²	28.9	54%	0.536	18%	0.179	S	C	.	.	S	Bend	trans	81.5	-163.7	177.2	0	0	0	0	0	115
327	G	82.3	Confident	92	Very high	41 Å²	41	24 Å²	24	42%	0.423	15%	0.152	S	C	.	.			trans	-93.1	-178.7	-175.5	0	0	0	0	0	113.8	G329 T330 V331	G327-G329 PolarHBondContact O-N 3.16Å; G327-G329 VanDerWaalsContact O-N 3.17Å; G327-T330 PolarHBondContact O-N 3.14Å; G327-V331 PolarHBondContact O-N 3Å
328	E	74.4	Confident	91.9	Very high	157 Å²	157	24 Å²	24	73%	0.734	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.6	177.3	-173.7	-180	-177.1	0	0	113.1	T330	E328-T330 VanDerWaalsContact C-N 3.28Å; E328-T330 PolarHBondContact O-N 3.26Å
329	G	74.2	Confident	91.9	Very high	21 Å²	21	21.3 Å²	21.3	22%	0.216	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.5	175.9	0	0	0	0	0	114.9	L29 G327	L29-G329 WeakPolarHBondContact CG-O 3.32Å; L29-G329 PolarHBondContact N-O 3.42Å; G327-G329 PolarHBondContact O-N 3.16Å; G327-G329 VanDerWaalsContact O-N 3.17Å
330	T	82.4	Confident	91.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-51.4	-175.6	-51.1	0	0	0	0	110.9	C27 G327 E328 G332 S333 H334 L457	C27-T330 PolarHBondContact O-OG1 3.21Å; C27-T330 VanDerWaalsContact O-OG1 3.13Å; G327-T330 PolarHBondContact O-N 3.14Å; E328-T330 VanDerWaalsContact C-N 3.28Å; E328-T330 PolarHBondContact O-N 3.26Å; T330-G332 PolarHBondContact O-N 3.33Å; T330-S333 PolarHBondContact O-N 3.4Å; T330-H334 PolarHBondContact O-ND1 3.27Å; T330-L457 HydrophobicContact CG2-CD1 3.36Å; T330-L457 HydrophobicContact CG2-CD2 4.5Å
331	V	88	Confident	91.6	Very high	53 Å²	53	21.6 Å²	21.6	32%	0.321	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	130	-178.4	175.6	0	0	0	0	111	E323 E325 G327 S333	E323-V331 WeakPolarHBondContact O-CA 3.45Å; E325-V331 WeakPolarHBondContact O-CG2 3.4Å; G327-V331 PolarHBondContact O-N 3Å; V331-S333 PolarHBondContact O-N 3.35Å; V331-S333 VanDerWaalsContact O-N 3.13Å
332	G	91.6	Very high	91.3	Very high	6 Å²	6	22.6 Å²	22.6	6%	0.062	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	2.8	173.7	0	0	0	0	0	115.3	R239 F242 E323 T330	R239-G332 WeakPolarHBondContact CB-O 3.47Å; F242-G332 VanDerWaalsContact CE2-O 3.28Å; F242-G332 WeakPolarHBondContact CE2-O 3.33Å; E323-G332 PolarHBondContact O-N 3Å; T330-G332 PolarHBondContact O-N 3.33Å
333	S	93.7	Very high	91.3	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.028	15%	0.146	C	C	.	.	S	Bend	trans	-118.3	4.8	178.9	-60.5	0	0	0	0	113.6	L29 H233 F237 R239 T330 V331	L29-S333 VanDerWaalsContact CD1-CB 3.49Å; L29-S333 VanDerWaalsContact CD1-OG 3.29Å; L29-S333 WeakPolarHBondContact CD1-OG 3.25Å; H233-S333 PolarHBondContact CE1-O 3.08Å; H233-S333 VanDerWaalsContact CE1-O 3.31Å; F237-S333 VanDerWaalsContact CD1-O 3.28Å; F237-S333 WeakPolarHBondContact CD1-O 3.4Å; F237-S333 WeakPolarHBondContact CE1-O 3.26Å; R239-S333 WeakPolarHBondContact CB-OG 3.36Å; R239-S333 PolarHBondContact N-OG 3.03Å; R239-S333 VanDerWaalsContact N-OG 3.09Å; T330-S333 PolarHBondContact O-N 3.4Å; V331-S333 PolarHBondContact O-N 3.35Å; V331-S333 VanDerWaalsContact O-N 3.13Å
334	H	96.7	Very high	91.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-133.8	158.4	176.4	-60.8	93.7	0	0	0	109.2	C27 H229 H233 L322 E323 T330 M345 G347	C27-H334 WeakPolarHBondContact CB-NE2 3.3Å; C27-H334 PolarHBondContact SG-NE2 3.36Å; C27-H334 VanDerWaalsContact SG-NE2 3.37Å; H229-H334 AromaticContact CE1-CD2 3.61Å; H229-H334 AromaticContact CE1-NE2 3.74Å; H229-H334 AromaticContact NE2-CD2 3.87Å; H229-H334 AromaticContact NE2-NE2 3.53Å; H233-H334 AromaticContact CE1-CD2 3.64Å; H233-H334 AromaticContact CE1-CE1 3.94Å; H233-H334 AromaticContact CE1-NE2 3.35Å; H233-H334 PolarHBondContact CE1-NE2 3.06Å; H233-H334 AromaticContact NE2-CD2 3.62Å; H233-H334 AromaticContact NE2-CE1 3.81Å; H233-H334 AromaticContact NE2-NE2 3Å; H233-H334 PolarHBondContact NE2-NE2 2.99Å; L322-H334 CarbonylContact C-O 3.56Å; L322-H334 VanDerWaalsContact CA-O 3.27Å; L322-H334 WeakPolarHBondContact CA-O 3.37Å; L322-H334 VanDerWaalsContact CD2-O 3.31Å; L322-H334 WeakPolarHBondContact CD2-O 3.4Å; E323-H334 HydrophobicContact CB-CB 4.08Å; E323-H334 PolarHBondContact N-O 3.31Å; T330-H334 PolarHBondContact O-ND1 3.27Å; H334-M345 WeakPolarHBondContact CA-O 3.49Å; H334-M345 WeakPolarHBondContact CB-O 3.42Å; H334-G347 VanDerWaalsContact CD2-CA 3.43Å; H334-G347 WeakPolarHBondContact CD2-CA 3.44Å; H334-G347 VanDerWaalsContact CG-CA 3.42Å
335	F	98.1	Very high	91.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-68.4	149.7	166.1	-67	-49.6	0	0	0	110.9	F237 I299 L304 I320 K337 V340 M345 L358	F237-F335 HydrophobicContact CE2-CD2 4.33Å; F237-F335 AromaticContact CE2-CE1 3.89Å; F237-F335 HydrophobicContact CE2-CE1 3.89Å; F237-F335 AromaticContact CE2-CE2 3.64Å; F237-F335 HydrophobicContact CE2-CE2 3.64Å; F237-F335 AromaticContact CE2-CZ 3.39Å; F237-F335 HydrophobicContact CE2-CZ 3.39Å; F237-F335 AromaticContact CZ-CD1 3.82Å; F237-F335 HydrophobicContact CZ-CD1 3.82Å; F237-F335 AromaticContact CZ-CD2 3.97Å; F237-F335 HydrophobicContact CZ-CD2 3.97Å; F237-F335 AromaticContact CZ-CE1 3.57Å; F237-F335 HydrophobicContact CZ-CE1 3.57Å; F237-F335 AromaticContact CZ-CE2 3.72Å; F237-F335 HydrophobicContact CZ-CE2 3.72Å; F237-F335 HydrophobicContact CZ-CG 4.02Å; F237-F335 AromaticContact CZ-CZ 3.51Å; F237-F335 HydrophobicContact CZ-CZ 3.51Å; I299-F335 HydrophobicContact CD1-CE1 4.23Å; L304-F335 HydrophobicContact CD1-CE1 4.13Å; L304-F335 HydrophobicContact CD1-CZ 3.76Å; L304-F335 HydrophobicContact CD2-CE1 4.15Å; I320-F335 HydrophobicContact CG2-CD1 3.6Å; I320-F335 HydrophobicContact CG2-CE1 3.78Å; I320-F335 HydrophobicContact CG2-CG 4.41Å; F335-K337 PolarHBondContact O-N 2.86Å; F335-V340 HydrophobicContact CB-CB 4.22Å; F335-V340 HydrophobicContact CB-CG1 3.6Å; F335-V340 HydrophobicContact CB-CG2 3.67Å; F335-V340 HydrophobicContact CD2-CG1 4.42Å; F335-V340 HydrophobicContact CG-CG1 4.18Å; F335-M345 HydrophobicContact CD2-CB 3.75Å; F335-M345 HydrophobicContact CE2-CB 4.01Å; F335-M345 PolarHBondContact N-O 3.06Å; F335-L358 HydrophobicContact CD2-CD2 4.09Å; F335-L358 HydrophobicContact CE2-CD2 3.93Å; F335-L358 HydrophobicContact CE2-CG 4.1Å; F335-L358 HydrophobicContact CZ-CD2 4.19Å; F335-L358 HydrophobicContact CZ-CG 4.1Å
336	E	97.5	Very high	91.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.126	C	C	.	.			trans	-57.2	105.5	174.5	171.1	47.8	-114.4	0	0	110.4	F296 D321 N324 R338 V339 V340	F296-E336 HydrophobicContact CE1-CG 4.15Å; D321-E336 HydrophobicContact CB-CB 3.87Å; D321-E336 HydrophobicContact CB-CG 4.42Å; D321-E336 VanDerWaalsContact O-CB 3.32Å; D321-E336 WeakPolarHBondContact O-CB 3.33Å; D321-E336 PolarHBondContact O-N 2.79Å; N324-E336 PolarHBondContact OD1-OE2 3.35Å; N324-E336 VanDerWaalsContact OD1-OE2 3.12Å; E336-R338 HydrophobicContact CG-CB 4.23Å; E336-R338 PolarHBondContact O-N 2.87Å; E336-R338 WeakPolarHBondContact OE1-CB 3.33Å; E336-R338 PolarHBondContact OE1-N 3.24Å; E336-V339 HydrophobicContact CB-CG2 3.96Å; E336-V339 HydrophobicContact CG-CG1 4.38Å; E336-V339 HydrophobicContact CG-CG2 4.02Å; E336-V339 VanDerWaalsContact O-CG2 3.29Å; E336-V339 WeakPolarHBondContact O-CG2 3.18Å; E336-V339 PolarHBondContact O-N 2.89Å; E336-V340 WeakPolarHBondContact O-CG2 3.41Å; E336-V340 PolarHBondContact O-N 2.8Å
337	K	95.7	Very high	91.7	Very high	17 Å²	17	16 Å²	16	7%	0.074	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-28.7	-169.9	167.6	-169.9	-176.6	70.9	0	112.1	F335 V339 V340 G341 A346 V348 A456 L457 V458	F335-K337 PolarHBondContact O-N 2.86Å; K337-V339 PolarHBondContact O-N 3.27Å; K337-V340 PolarHBondContact O-N 2.67Å; K337-G341 WeakPolarHBondContact O-CA 3.28Å; K337-G341 PolarHBondContact O-N 3.37Å; K337-A346 HydrophobicContact CB-CB 4.18Å; K337-A346 HydrophobicContact CG-CB 4.29Å; K337-V348 HydrophobicContact CD-CB 3.75Å; K337-V348 HydrophobicContact CD-CG2 3.95Å; K337-V348 PolarHBondContact NZ-O 3.11Å; K337-A456 VanDerWaalsContact CD-O 3.25Å; K337-A456 WeakPolarHBondContact CD-O 3.48Å; K337-A456 WeakPolarHBondContact CE-O 3.45Å; K337-L457 HydrophobicContact CB-CB 4.41Å; K337-L457 VanDerWaalsContact CB-O 3.23Å; K337-L457 WeakPolarHBondContact CB-O 3.36Å; K337-L457 HydrophobicContact CD-CB 4.07Å; K337-V458 HydrophobicContact CD-CG1 3.87Å; K337-V458 HydrophobicContact CG-CG1 3.99Å
338	R	96.1	Very high	91.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55.2	-36.9	172.7	-179.6	-177.5	54.8	77.4	6.1	112.2	E336 Y381 F389 E392 Y411 D459 C461	E336-R338 HydrophobicContact CG-CB 4.23Å; E336-R338 PolarHBondContact O-N 2.87Å; E336-R338 WeakPolarHBondContact OE1-CB 3.33Å; E336-R338 PolarHBondContact OE1-N 3.24Å; R338-Y381 WeakPolarHBondContact O-CE1 3.35Å; R338-Y381 PolarHBondContact O-OH 3.17Å; R338-F389 PolarHBondContact NH1-O 3.22Å; R338-E392 PolarHBondContact NH1-O 3.29Å; R338-Y411 HydrophobicContact CG-CE1 4.41Å; R338-Y411 VanDerWaalsContact CG-OH 3.26Å; R338-Y411 WeakPolarHBondContact CG-OH 3.46Å; R338-Y411 PolarHBondContact O-OH 3.4Å; R338-D459 IonicContact NE-OD2 3.16Å; R338-D459 PolarHBondContact NE-OD2 2.87Å; R338-C461 WeakPolarHBondContact CD-SG 3.23Å; R338-C461 HydrophobicContact CG-CB 4.4Å
339	V	97.1	Very high	92	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-97.6	-23.1	-179	-54.6	0	0	0	0	113.1	Y312 E336 K337 Y381 F389 V390	Y312-V339 PolarHBondContact OH-O 3.36Å; E336-V339 HydrophobicContact CB-CG2 3.96Å; E336-V339 HydrophobicContact CG-CG1 4.38Å; E336-V339 HydrophobicContact CG-CG2 4.02Å; E336-V339 VanDerWaalsContact O-CG2 3.29Å; E336-V339 WeakPolarHBondContact O-CG2 3.18Å; E336-V339 PolarHBondContact O-N 2.89Å; K337-V339 PolarHBondContact O-N 3.27Å; V339-Y381 VanDerWaalsContact C-CE1 3.47Å; V339-Y381 WeakPolarHBondContact O-CD1 3.33Å; V339-Y381 VanDerWaalsContact O-CE1 3.25Å; V339-Y381 WeakPolarHBondContact O-CE1 3.49Å; V339-F389 HydrophobicContact CB-CE1 4.37Å; V339-V390 HydrophobicContact CB-CG2 4.31Å; V339-V390 HydrophobicContact CG1-CG2 4.44Å; V339-V390 HydrophobicContact CG2-CG2 4.46Å
340	V	96.6	Very high	92.1	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-97.8	-22	-179.8	-57.6	0	0	0	0	116.3	F335 E336 K337 D342 E343 A346 L358 W379 Y381	F335-V340 HydrophobicContact CB-CB 4.22Å; F335-V340 HydrophobicContact CB-CG1 3.6Å; F335-V340 HydrophobicContact CB-CG2 3.67Å; F335-V340 HydrophobicContact CD2-CG1 4.42Å; F335-V340 HydrophobicContact CG-CG1 4.18Å; E336-V340 WeakPolarHBondContact O-CG2 3.41Å; E336-V340 PolarHBondContact O-N 2.8Å; K337-V340 PolarHBondContact O-N 2.67Å; V340-D342 PolarHBondContact O-N 3.11Å; V340-E343 HydrophobicContact CB-CB 3.71Å; V340-E343 HydrophobicContact CB-CG 4.46Å; V340-E343 HydrophobicContact CG2-CB 4.12Å; V340-E343 WeakPolarHBondContact O-CB 3.13Å; V340-E343 PolarHBondContact O-N 2.63Å; V340-E343 VanDerWaalsContact O-N 3.15Å; V340-A346 HydrophobicContact CG2-CB 3.67Å; V340-L358 HydrophobicContact CG1-CD2 4.01Å; V340-W379 HydrophobicContact CB-CH2 4.4Å; V340-W379 HydrophobicContact CB-CZ2 4.03Å; V340-W379 HydrophobicContact CG1-CH2 4.23Å; V340-W379 HydrophobicContact CG1-CZ2 4.35Å; V340-W379 VanDerWaalsContact O-CZ2 3.28Å; V340-W379 WeakPolarHBondContact O-CZ2 3.14Å; V340-W379 PolarHBondContact O-NE1 3.01Å; V340-W379 VanDerWaalsContact O-NE1 3.13Å; V340-Y381 VanDerWaalsContact C-CD1 3.41Å
341	G	94.1	Very high	92.1	Very high	7 Å²	7	7.3 Å²	7.3	7%	0.072	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-105.1	174.6	0	0	0	0	0	114.4	K337 Y381	K337-G341 WeakPolarHBondContact O-CA 3.28Å; K337-G341 PolarHBondContact O-N 3.37Å; G341-Y381 VanDerWaalsContact N-CE1 3.31Å
342	D	93.5	Very high	92.1	Very high	22 Å²	22	7.6 Å²	7.6	12%	0.118	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	11.6	-178.5	59.8	-4.5	0	0	0	114.1	V340 T353 V354 W379	V340-D342 PolarHBondContact O-N 3.11Å; D342-T353 CarbonylContact O-C 3.52Å; D342-T353 VanDerWaalsContact O-CA 3.29Å; D342-T353 WeakPolarHBondContact O-CA 3.19Å; D342-V354 PolarHBondContact O-N 3.03Å; D342-W379 PolarHBondContact OD1-NE1 3.5Å
343	E	96.8	Very high	92.1	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-60.7	141	170.9	-148.4	-71.5	148	0	0	111.1	V340 M345 A346 S356 T359 W379	V340-E343 HydrophobicContact CB-CB 3.71Å; V340-E343 HydrophobicContact CB-CG 4.46Å; V340-E343 HydrophobicContact CG2-CB 4.12Å; V340-E343 WeakPolarHBondContact O-CB 3.13Å; V340-E343 PolarHBondContact O-N 2.63Å; V340-E343 VanDerWaalsContact O-N 3.15Å; E343-M345 VanDerWaalsContact C-N 3.26Å; E343-M345 PolarHBondContact O-N 3.35Å; E343-M345 VanDerWaalsContact O-N 3.14Å; E343-M345 PolarHBondContact OE2-N 2.64Å; E343-A346 VanDerWaalsContact O-CB 3.3Å; E343-A346 WeakPolarHBondContact O-CB 3.23Å; E343-A346 PolarHBondContact O-N 2.87Å; E343-S356 VanDerWaalsContact CG-OG 3.28Å; E343-S356 WeakPolarHBondContact CG-OG 3.39Å; E343-S356 WeakPolarHBondContact OE1-CB 3.26Å; E343-S356 PolarHBondContact OE1-N 3.41Å; E343-S356 PolarHBondContact OE1-OG 2.82Å; E343-T359 VanDerWaalsContact OE1-CB 3.23Å; E343-T359 WeakPolarHBondContact OE1-CB 3.35Å; E343-T359 PolarHBondContact OE1-N 2.83Å; E343-T359 PolarHBondContact OE1-OG1 2.9Å; E343-T359 PolarHBondContact OE2-OG1 3.47Å; E343-W379 HydrophobicContact CB-CZ2 4.12Å; E343-W379 HydrophobicContact CG-CD2 4.08Å; E343-W379 HydrophobicContact CG-CE3 4.34Å; E343-W379 HydrophobicContact CG-CH2 4.39Å; E343-W379 HydrophobicContact CG-CZ2 4.17Å; E343-W379 HydrophobicContact CG-CZ3 4.46Å
344	I	97.1	Very high	92.2	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.3	-170.6	-167.6	67.5	0	0	0	113.6	G225 I228 H229 T353 V354 V355 T359	G225-I344 WeakPolarHBondContact O-CD1 3.28Å; I228-I344 HydrophobicContact CB-CD1 4.22Å; I228-I344 HydrophobicContact CG2-CD1 4.03Å; I228-I344 HydrophobicContact CG2-CG1 3.94Å; H229-I344 HydrophobicContact CB-CD1 4.11Å; H229-I344 HydrophobicContact CB-CG1 4.21Å; H229-I344 PolarHBondContact ND1-O 2.84Å; I344-T353 HydrophobicContact CD1-CG2 4.28Å; I344-T353 VanDerWaalsContact CD1-OG1 3.24Å; I344-T353 WeakPolarHBondContact CD1-OG1 3.44Å; I344-V354 WeakPolarHBondContact CB-O 3.39Å; I344-V354 PolarHBondContact N-O 2.91Å; I344-V355 HydrophobicContact CB-CG2 4.02Å; I344-V355 HydrophobicContact CD1-CG2 4.37Å; I344-V355 HydrophobicContact CG1-CG2 4Å; I344-V355 HydrophobicContact CG2-CB 4.31Å; I344-V355 HydrophobicContact CG2-CG1 4.17Å; I344-V355 HydrophobicContact CG2-CG2 4.1Å; I344-T359 HydrophobicContact CG2-CG2 3.77Å; I344-T359 WeakPolarHBondContact CG2-OG1 3.46Å
345	M	97.1	Very high	92.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	18.8	-179	-63.3	-49.7	-51.8	0	0	114	H233 F237 H334 F335 E343 T359	H233-M345 WeakPolarHBondContact CE1-CE 3.25Å; F237-M345 HydrophobicContact CB-CE 3.91Å; F237-M345 HydrophobicContact CD1-CB 4.44Å; F237-M345 HydrophobicContact CD1-CE 3.62Å; F237-M345 HydrophobicContact CD1-CG 4.39Å; F237-M345 HydrophobicContact CD2-CB 4.37Å; F237-M345 HydrophobicContact CD2-CE 4.42Å; F237-M345 HydrophobicContact CD2-CG 3.81Å; F237-M345 HydrophobicContact CE1-CB 4.11Å; F237-M345 HydrophobicContact CE1-CE 4.28Å; F237-M345 HydrophobicContact CE1-CG 4.47Å; F237-M345 HydrophobicContact CE2-CB 4.04Å; F237-M345 HydrophobicContact CE2-CG 3.91Å; F237-M345 HydrophobicContact CG-CE 3.72Å; F237-M345 HydrophobicContact CG-CG 4.09Å; F237-M345 HydrophobicContact CG-SD 4.38Å; F237-M345 HydrophobicContact CZ-CB 3.91Å; F237-M345 HydrophobicContact CZ-CG 4.25Å; H334-M345 WeakPolarHBondContact CA-O 3.49Å; H334-M345 WeakPolarHBondContact CB-O 3.42Å; F335-M345 HydrophobicContact CD2-CB 3.75Å; F335-M345 HydrophobicContact CE2-CB 4.01Å; F335-M345 PolarHBondContact N-O 3.06Å; E343-M345 VanDerWaalsContact C-N 3.26Å; E343-M345 PolarHBondContact O-N 3.35Å; E343-M345 VanDerWaalsContact O-N 3.14Å; E343-M345 PolarHBondContact OE2-N 2.64Å; M345-T359 HydrophobicContact CG-CG2 3.81Å; M345-T359 WeakPolarHBondContact CG-OG1 3.13Å
346	A	95.5	Very high	92.3	Very high	2 Å²	2	8.8 Å²	8.8	2%	0.017	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-67.3	143.9	166.3	0	0	0	0	0	111	H229 K337 V340 E343 V348	H229-A346 PolarHBondContact CE1-O 2.88Å; H229-A346 VanDerWaalsContact CE1-O 3.31Å; K337-A346 HydrophobicContact CB-CB 4.18Å; K337-A346 HydrophobicContact CG-CB 4.29Å; V340-A346 HydrophobicContact CG2-CB 3.67Å; E343-A346 VanDerWaalsContact O-CB 3.3Å; E343-A346 WeakPolarHBondContact O-CB 3.23Å; E343-A346 PolarHBondContact O-N 2.87Å; A346-V348 PolarHBondContact O-N 3.08Å
347	G	88.1	Confident	92.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-69.2	-3.8	-175.8	0	0	0	0	0	116.5	C27 H334	C27-G347 PolarHBondContact N-O 3.41Å; H334-G347 VanDerWaalsContact CD2-CA 3.43Å; H334-G347 WeakPolarHBondContact CD2-CA 3.44Å; H334-G347 VanDerWaalsContact CG-CA 3.42Å
348	V	85.1	Confident	92.4	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.4	173.8	178.2	0	0	0	0	108.9	E24 Y25 I26 K337 A346 G350 A456 L457	E24-V348 HydrophobicContact CB-CG1 3.59Å; E24-V348 HydrophobicContact CG-CG1 3.89Å; Y25-V348 VanDerWaalsContact O-CA 3.24Å; Y25-V348 WeakPolarHBondContact O-CA 3.47Å; Y25-V348 WeakPolarHBondContact O-CG1 3.47Å; I26-V348 HydrophobicContact CG1-CG2 4.26Å; K337-V348 HydrophobicContact CD-CB 3.75Å; K337-V348 HydrophobicContact CD-CG2 3.95Å; K337-V348 PolarHBondContact NZ-O 3.11Å; A346-V348 PolarHBondContact O-N 3.08Å; V348-G350 PolarHBondContact O-N 3.43Å; V348-A456 HydrophobicContact CG2-CB 3.9Å; V348-L457 HydrophobicContact CG2-CB 4.15Å; V348-L457 HydrophobicContact CG2-CD1 3.56Å; V348-L457 HydrophobicContact CG2-CG 3.63Å
349	T	76	Confident	92.6	Very high	9 Å²	9	13.1 Å²	13.1	6%	0.055	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.7	172.6	57.3	0	0	0	0	109.4	Y25 T353	Y25-T349 PolarHBondContact N-O 3.24Å; Y25-T349 PolarHBondContact O-N 2.95Å; Y25-T349 VanDerWaalsContact O-N 3.12Å; T349-T353 HydrophobicContact CG2-CG2 4.33Å
350	G	76.2	Confident	92.7	Very high	23 Å²	23	13 Å²	13	24%	0.237	7%	0.068	C	C	.	.			trans	-83.6	-158.7	169	0	0	0	0	0	112	V348 K352	V348-G350 PolarHBondContact O-N 3.43Å; G350-K352 VanDerWaalsContact C-N 3.34Å
351	V	82.9	Confident	92.8	Very high	4 Å²	4	13 Å²	13	2%	0.024	7%	0.068	C	C	.	.	S	Bend	trans	-68	-34	-179.9	177.3	0	0	0	0	112.2	K468 M476 Y478	V351-K468 HydrophobicContact CG1-CB 4.33Å; V351-K468 HydrophobicContact CG2-CB 4.12Å; V351-M476 HydrophobicContact CG1-CB 4.12Å; V351-M476 HydrophobicContact CG1-CE 3.26Å; V351-M476 HydrophobicContact CG1-CG 3.74Å; V351-M476 HydrophobicContact CG1-SD 4.22Å; V351-M476 WeakPolarHBondContact O-CE 3.27Å; V351-Y478 HydrophobicContact CB-CE2 4.08Å; V351-Y478 HydrophobicContact CG1-CD2 4.09Å; V351-Y478 HydrophobicContact CG1-CE2 4.15Å
352	K	87.8	Confident	93	Very high	59 Å²	59	12.7 Å²	12.7	26%	0.257	7%	0.065	S	C	.	.	S	Bend	trans	-139.4	146.1	173.7	-170.6	175.3	-177.4	174.4	0	108.2	G350 Y478 D480	G350-K352 VanDerWaalsContact C-N 3.34Å; K352-Y478 HydrophobicContact CB-CD2 4.36Å; K352-Y478 HydrophobicContact CB-CE1 4.11Å; K352-Y478 HydrophobicContact CB-CE2 3.79Å; K352-Y478 HydrophobicContact CD-CD1 4.04Å; K352-Y478 HydrophobicContact CD-CE1 3.93Å; K352-D480 IonicContact NZ-OD2 3.41Å; K352-D480 PolarHBondContact NZ-OD2 2.63Å
353	T	92.9	Very high	93.2	Very high	20 Å²	20	11.7 Å²	11.7	12%	0.123	6%	0.059	C	C	.	.			trans	-121.8	157.6	176.4	52.8	0	0	0	0	109.9	G225 D342 I344 T349	G225-T353 WeakPolarHBondContact CA-OG1 3.47Å; D342-T353 CarbonylContact O-C 3.52Å; D342-T353 VanDerWaalsContact O-CA 3.29Å; D342-T353 WeakPolarHBondContact O-CA 3.19Å; I344-T353 HydrophobicContact CD1-CG2 4.28Å; I344-T353 VanDerWaalsContact CD1-OG1 3.24Å; I344-T353 WeakPolarHBondContact CD1-OG1 3.44Å; T349-T353 HydrophobicContact CG2-CG2 4.33Å
354	V	95.2	Very high	93.3	Very high	13 Å²	13	14.2 Å²	14.2	8%	0.079	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-127.6	122	-175.1	-177.6	0	0	0	0	110.1	D342 I344 S356 E377 W379	D342-V354 PolarHBondContact O-N 3.03Å; I344-V354 WeakPolarHBondContact CB-O 3.39Å; I344-V354 PolarHBondContact N-O 2.91Å; V354-S356 PolarHBondContact O-N 2.82Å; V354-S356 VanDerWaalsContact O-N 3.11Å; V354-E377 HydrophobicContact CG1-CB 3.55Å; V354-W379 HydrophobicContact CG1-CB 3.81Å; V354-W379 HydrophobicContact CG1-CG 4.41Å
355	V	97.9	Very high	93.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	7%	0.074	C	C	.	.			trans	-80.5	94.8	170	-170.3	0	0	0	0	109.3	F84 I228 I344 L360 E377	F84-V355 HydrophobicContact CE1-CB 4.14Å; F84-V355 HydrophobicContact CE1-CG1 3.8Å; F84-V355 HydrophobicContact CE1-CG2 3.8Å; F84-V355 HydrophobicContact CE2-CB 4.2Å; F84-V355 HydrophobicContact CE2-CG2 4.13Å; F84-V355 HydrophobicContact CZ-CB 3.52Å; F84-V355 HydrophobicContact CZ-CG1 3.43Å; F84-V355 VanDerWaalsContact CZ-CG1 3.43Å; F84-V355 HydrophobicContact CZ-CG2 3.55Å; I228-V355 HydrophobicContact CG2-CG2 3.71Å; I344-V355 HydrophobicContact CB-CG2 4.02Å; I344-V355 HydrophobicContact CD1-CG2 4.37Å; I344-V355 HydrophobicContact CG1-CG2 4Å; I344-V355 HydrophobicContact CG2-CB 4.31Å; I344-V355 HydrophobicContact CG2-CG1 4.17Å; I344-V355 HydrophobicContact CG2-CG2 4.1Å; V355-L360 HydrophobicContact CG1-CD2 4.22Å; V355-L360 HydrophobicContact CG1-CG 4.33Å; V355-E377 PolarHBondContact N-OE2 2.91Å; V355-E377 PolarHBondContact O-N 2.89Å
356	S	98.3	Very high	93.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.074	C	C	.	.			trans	-83.5	171.1	-176.1	80.3	0	0	0	0	112.3	E343 V354 L358 T359 L360	E343-S356 VanDerWaalsContact CG-OG 3.28Å; E343-S356 WeakPolarHBondContact CG-OG 3.39Å; E343-S356 WeakPolarHBondContact OE1-CB 3.26Å; E343-S356 PolarHBondContact OE1-N 3.41Å; E343-S356 PolarHBondContact OE1-OG 2.82Å; V354-S356 PolarHBondContact O-N 2.82Å; V354-S356 VanDerWaalsContact O-N 3.11Å; S356-L358 PolarHBondContact O-N 3.42Å; S356-L358 WeakPolarHBondContact OG-CB 3.43Å; S356-L358 PolarHBondContact OG-N 2.93Å; S356-T359 PolarHBondContact O-N 2.92Å; S356-L360 WeakPolarHBondContact O-CG 3.32Å; S356-L360 PolarHBondContact O-N 2.86Å
357	R	98.7	Very high	93.4	Very high	105 Å²	105	15.2 Å²	15.2	40%	0.396	8%	0.078	S	C	.	.	H	α-helix	trans	-60.5	-22.2	168.6	-61	179.8	62.6	81.6	8.3	112.6	E307 A361 Y373 A376	E307-R357 VanDerWaalsContact CD-NE 3.3Å; E307-R357 HydrophobicContact CG-CB 4.28Å; E307-R357 IonicContact OE1-CZ 3.22Å; E307-R357 IonicContact OE1-NE 2.98Å; E307-R357 PolarHBondContact OE1-NE 2.92Å; E307-R357 IonicContact OE1-NH2 2.67Å; E307-R357 PolarHBondContact OE1-NH2 3.24Å; E307-R357 WeakPolarHBondContact OE2-CB 3.19Å; E307-R357 WeakPolarHBondContact OE2-CD 3.38Å; E307-R357 IonicContact OE2-CZ 2.73Å; E307-R357 IonicContact OE2-NE 2.83Å; E307-R357 PolarHBondContact OE2-NE 2.79Å; E307-R357 IonicContact OE2-NH2 3.84Å; R357-A361 VanDerWaalsContact O-CB 3.24Å; R357-A361 WeakPolarHBondContact O-CB 3.46Å; R357-A361 PolarHBondContact O-N 3.37Å; R357-Y373 HydrophobicContact CB-CD1 4.23Å; R357-Y373 HydrophobicContact CB-CE1 4.4Å; R357-Y373 HydrophobicContact CG-CD1 4.24Å; R357-A376 HydrophobicContact CG-CB 3.6Å
358	L	98.6	Very high	93.8	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-55	178.9	-165.1	72.7	0	0	0	111.1	L304 I320 F335 V340 S356 L360 A361 F362 W379	L304-L358 HydrophobicContact CD1-CD1 3.57Å; L304-L358 HydrophobicContact CD1-CG 3.66Å; L304-L358 WeakPolarHBondContact CD1-O 3.43Å; L304-L358 HydrophobicContact CG-CD1 4.32Å; I320-L358 HydrophobicContact CD1-CD1 4.21Å; I320-L358 HydrophobicContact CG1-CD1 4.16Å; I320-L358 HydrophobicContact CG2-CD2 4.28Å; F335-L358 HydrophobicContact CD2-CD2 4.09Å; F335-L358 HydrophobicContact CE2-CD2 3.93Å; F335-L358 HydrophobicContact CE2-CG 4.1Å; F335-L358 HydrophobicContact CZ-CD2 4.19Å; F335-L358 HydrophobicContact CZ-CG 4.1Å; V340-L358 HydrophobicContact CG1-CD2 4.01Å; S356-L358 PolarHBondContact O-N 3.42Å; S356-L358 WeakPolarHBondContact OG-CB 3.43Å; S356-L358 PolarHBondContact OG-N 2.93Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 2.82Å; L358-A361 WeakPolarHBondContact O-CB 3.41Å; L358-A361 PolarHBondContact O-N 2.97Å; L358-A361 VanDerWaalsContact O-N 3.15Å; L358-F362 PolarHBondContact O-N 3.47Å; L358-W379 HydrophobicContact CB-CZ3 4.06Å; L358-W379 HydrophobicContact CD2-CH2 3.95Å; L358-W379 HydrophobicContact CD2-CZ3 3.91Å; L358-W379 HydrophobicContact CG-CZ3 4.49Å
359	T	98.7	Very high	94.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-42.2	175.5	-74.1	0	0	0	0	111.8	W85 E343 I344 M345 S356 A361 F362 F363	W85-T359 HydrophobicContact CH2-CG2 4.01Å; E343-T359 VanDerWaalsContact OE1-CB 3.23Å; E343-T359 WeakPolarHBondContact OE1-CB 3.35Å; E343-T359 PolarHBondContact OE1-N 2.83Å; E343-T359 PolarHBondContact OE1-OG1 2.9Å; E343-T359 PolarHBondContact OE2-OG1 3.47Å; I344-T359 HydrophobicContact CG2-CG2 3.77Å; I344-T359 WeakPolarHBondContact CG2-OG1 3.46Å; M345-T359 HydrophobicContact CG-CG2 3.81Å; M345-T359 WeakPolarHBondContact CG-OG1 3.13Å; S356-T359 PolarHBondContact O-N 2.92Å; T359-A361 VanDerWaalsContact C-N 3.29Å; T359-A361 PolarHBondContact O-N 3.26Å; T359-F362 WeakPolarHBondContact O-CB 3.48Å; T359-F362 PolarHBondContact O-N 3.12Å; T359-F363 HydrophobicContact CG2-CD2 3.94Å; T359-F363 HydrophobicContact CG2-CE2 3.71Å; T359-F363 VanDerWaalsContact O-CD2 3.26Å; T359-F363 WeakPolarHBondContact O-CD2 3.49Å; T359-F363 PolarHBondContact O-N 3.11Å; T359-F363 VanDerWaalsContact O-N 3.16Å
360	L	98.8	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-38.6	176.2	-69	-173.1	0	0	0	112.2	W85 A88 V355 S356 L358 F363 Q364 V371 Y373 V375 A376	W85-L360 HydrophobicContact CZ3-CD2 4.34Å; A88-L360 HydrophobicContact CB-CD2 4.35Å; V355-L360 HydrophobicContact CG1-CD2 4.22Å; V355-L360 HydrophobicContact CG1-CG 4.33Å; S356-L360 WeakPolarHBondContact O-CG 3.32Å; S356-L360 PolarHBondContact O-N 2.86Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 2.82Å; L360-F363 PolarHBondContact O-N 2.57Å; L360-Q364 PolarHBondContact O-N 3.26Å; L360-V371 HydrophobicContact CB-CG1 3.73Å; L360-V371 HydrophobicContact CD1-CG1 4.38Å; L360-V371 HydrophobicContact CD2-CG1 4.03Å; L360-V371 HydrophobicContact CG-CG1 4.25Å; L360-Y373 HydrophobicContact CB-CD1 4.03Å; L360-Y373 HydrophobicContact CB-CE1 3.88Å; L360-Y373 HydrophobicContact CD1-CD1 4.25Å; L360-V375 HydrophobicContact CD1-CG2 3.9Å; L360-V375 HydrophobicContact CD2-CG2 4.37Å; L360-A376 HydrophobicContact CD1-CB 3.78Å
361	A	98.7	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.7	-33.7	176	0	0	0	0	0	113.2	A303 L304 E307 R357 L358 T359 Q364 D365 Y373	A303-A361 HydrophobicContact CB-CB 4.15Å; L304-A361 HydrophobicContact CB-CB 4.48Å; E307-A361 HydrophobicContact CB-CB 4.28Å; E307-A361 HydrophobicContact CG-CB 3.82Å; R357-A361 VanDerWaalsContact O-CB 3.24Å; R357-A361 WeakPolarHBondContact O-CB 3.46Å; R357-A361 PolarHBondContact O-N 3.37Å; L358-A361 WeakPolarHBondContact O-CB 3.41Å; L358-A361 PolarHBondContact O-N 2.97Å; L358-A361 VanDerWaalsContact O-N 3.15Å; T359-A361 VanDerWaalsContact C-N 3.29Å; T359-A361 PolarHBondContact O-N 3.26Å; A361-Q364 PolarHBondContact O-N 2.82Å; A361-D365 WeakPolarHBondContact O-CB 3.24Å; A361-D365 PolarHBondContact O-N 2.77Å; A361-Y373 VanDerWaalsContact CA-OH 3.32Å; A361-Y373 WeakPolarHBondContact CA-OH 3.38Å; A361-Y373 HydrophobicContact CB-CE1 4.37Å
362	F	98.7	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-48.8	167.7	167.8	-90	0	0	0	111.2	F237 F242 M245 I299 L304 L358 T359 Q364 D365 S366	F237-F362 HydrophobicContact CB-CD1 4.28Å; F237-F362 HydrophobicContact CB-CE1 3.74Å; F237-F362 HydrophobicContact CB-CZ 4.21Å; F237-F362 HydrophobicContact CD2-CB 4.22Å; F237-F362 AromaticContact CD2-CD1 3.28Å; F237-F362 HydrophobicContact CD2-CD1 3.28Å; F237-F362 AromaticContact CD2-CD2 3.98Å; F237-F362 HydrophobicContact CD2-CD2 3.98Å; F237-F362 AromaticContact CD2-CE1 3.53Å; F237-F362 HydrophobicContact CD2-CE1 3.53Å; F237-F362 HydrophobicContact CD2-CE2 4.2Å; F237-F362 AromaticContact CD2-CG 3.52Å; F237-F362 HydrophobicContact CD2-CG 3.52Å; F237-F362 AromaticContact CD2-CZ 4Å; F237-F362 HydrophobicContact CD2-CZ 4Å; F237-F362 HydrophobicContact CE2-CB 4.03Å; F237-F362 AromaticContact CE2-CD1 3.93Å; F237-F362 HydrophobicContact CE2-CD1 3.93Å; F237-F362 AromaticContact CE2-CD2 3.93Å; F237-F362 HydrophobicContact CE2-CD2 3.93Å; F237-F362 HydrophobicContact CE2-CE1 4.42Å; F237-F362 HydrophobicContact CE2-CE2 4.43Å; F237-F362 AromaticContact CE2-CG 3.65Å; F237-F362 HydrophobicContact CE2-CG 3.65Å; F237-F362 HydrophobicContact CG-CD1 4.15Å; F237-F362 AromaticContact CG-CE1 3.94Å; F237-F362 HydrophobicContact CG-CE1 3.94Å; F237-F362 HydrophobicContact CG-CZ 4.22Å; F242-F362 AromaticContact CD1-CE2 3.61Å; F242-F362 HydrophobicContact CD1-CE2 3.61Å; F242-F362 AromaticContact CD1-CZ 3.82Å; F242-F362 HydrophobicContact CD1-CZ 3.82Å; F242-F362 HydrophobicContact CE1-CD2 4.42Å; F242-F362 AromaticContact CE1-CE2 3.35Å; F242-F362 HydrophobicContact CE1-CE2 3.35Å; F242-F362 AromaticContact CE1-CZ 3.54Å; F242-F362 HydrophobicContact CE1-CZ 3.54Å; F242-F362 HydrophobicContact CZ-CE2 4.35Å; M245-F362 HydrophobicContact CE-CD2 4.33Å; M245-F362 HydrophobicContact CE-CE2 4Å; M245-F362 HydrophobicContact SD-CE2 3.86Å; M245-F362 HydrophobicContact SD-CZ 4.36Å; I299-F362 HydrophobicContact CD1-CD2 4.02Å; I299-F362 HydrophobicContact CD1-CE2 4.24Å; L304-F362 HydrophobicContact CD1-CB 4.3Å; L358-F362 PolarHBondContact O-N 3.47Å; T359-F362 WeakPolarHBondContact O-CB 3.48Å; T359-F362 PolarHBondContact O-N 3.12Å; F362-Q364 VanDerWaalsContact C-N 3.25Å; F362-Q364 PolarHBondContact O-N 2.87Å; F362-D365 PolarHBondContact O-N 2.8Å; F362-S366 PolarHBondContact O-N 3.36Å
363	F	98.6	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-32	179.9	-78.5	-71.7	0	0	0	112.5	W85 L89 M235 F237 T359 L360 S366 W369 V371	W85-F363 AromaticContact CH2-CD2 3.69Å; W85-F363 HydrophobicContact CH2-CD2 3.69Å; W85-F363 AromaticContact CH2-CE2 3.23Å; W85-F363 HydrophobicContact CH2-CE2 3.23Å; W85-F363 AromaticContact CH2-CZ 3.94Å; W85-F363 HydrophobicContact CH2-CZ 3.94Å; W85-F363 HydrophobicContact CZ2-CE2 4.1Å; W85-F363 AromaticContact CZ3-CD2 3.71Å; W85-F363 HydrophobicContact CZ3-CD2 3.71Å; W85-F363 AromaticContact CZ3-CE2 3.67Å; W85-F363 HydrophobicContact CZ3-CE2 3.67Å; W85-F363 HydrophobicContact CZ3-CG 4.4Å; W85-F363 HydrophobicContact CZ3-CZ 4.28Å; L89-F363 HydrophobicContact CD1-CD1 4.23Å; L89-F363 HydrophobicContact CD1-CG 4.42Å; L89-F363 HydrophobicContact CD2-CB 3.96Å; L89-F363 HydrophobicContact CD2-CG 4.34Å; M235-F363 HydrophobicContact CB-CE1 3.73Å; M235-F363 HydrophobicContact CB-CZ 4.3Å; M235-F363 HydrophobicContact CE-CE1 4.43Å; M235-F363 HydrophobicContact CE-CZ 4.32Å; F237-F363 HydrophobicContact CB-CZ 4.37Å; T359-F363 HydrophobicContact CG2-CD2 3.94Å; T359-F363 HydrophobicContact CG2-CE2 3.71Å; T359-F363 VanDerWaalsContact O-CD2 3.26Å; T359-F363 WeakPolarHBondContact O-CD2 3.49Å; T359-F363 PolarHBondContact O-N 3.11Å; T359-F363 VanDerWaalsContact O-N 3.16Å; L360-F363 PolarHBondContact O-N 2.57Å; F363-S366 PolarHBondContact O-OG 3.09Å; F363-W369 AromaticContact CD1-CD1 3.56Å; F363-W369 HydrophobicContact CD1-CG 4.48Å; F363-W369 AromaticContact CD1-NE1 3.72Å; F363-V371 HydrophobicContact CB-CG2 4.04Å
364	Q	98	Very high	97.8	Very high	55 Å²	55	23.1 Å²	23.1	26%	0.257	12%	0.122	S	C	.	.	H	α-helix	trans	-66.4	-50.6	171.4	179.5	-179.2	-62.1	0	0	111.6	L248 A303 L360 A361 F362 S366 G367 V371 Y373	L248-Q364 HydrophobicContact CD2-CG 4.42Å; A303-Q364 VanDerWaalsContact CB-NE2 3.25Å; L360-Q364 PolarHBondContact O-N 3.26Å; A361-Q364 PolarHBondContact O-N 2.82Å; F362-Q364 VanDerWaalsContact C-N 3.25Å; F362-Q364 PolarHBondContact O-N 2.87Å; Q364-S366 PolarHBondContact O-N 3.27Å; Q364-G367 PolarHBondContact O-N 3Å; Q364-V371 HydrophobicContact CB-CB 4.4Å; Q364-V371 HydrophobicContact CB-CG2 3.85Å; Q364-Y373 PolarHBondContact OE1-OH 2.87Å
365	D	98.4	Very high	98	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.07	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-15.8	-178.1	-79.7	-15.6	0	0	0	113.3	M245 T301 A303 L304 A361 F362 G367	M245-D365 HydrophobicContact CE-CB 4.21Å; M245-D365 WeakPolarHBondContact CE-O 3.36Å; T301-D365 WeakPolarHBondContact CB-OD2 3.34Å; T301-D365 HydrophobicContact CG2-CB 4.29Å; T301-D365 WeakPolarHBondContact OG1-CB 3.34Å; T301-D365 PolarHBondContact OG1-OD2 2.95Å; A303-D365 WeakPolarHBondContact CA-OD2 3.47Å; A303-D365 WeakPolarHBondContact CB-OD1 3.36Å; A303-D365 PolarHBondContact N-OD1 2.84Å; A303-D365 VanDerWaalsContact N-OD1 3.17Å; A303-D365 PolarHBondContact N-OD2 2.88Å; L304-D365 PolarHBondContact N-OD2 3.35Å; A361-D365 WeakPolarHBondContact O-CB 3.24Å; A361-D365 PolarHBondContact O-N 2.77Å; F362-D365 PolarHBondContact O-N 2.8Å; D365-G367 PolarHBondContact O-N 3.33Å
366	S	97.9	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.7	172.2	77.4	0	0	0	0	113.1	M245 R246 F362 F363 Q364 W368	M245-S366 WeakPolarHBondContact CA-O 3.44Å; R246-S366 PolarHBondContact N-O 2.63Å; R246-S366 CarbonylContact O-C 3.41Å; F362-S366 PolarHBondContact O-N 3.36Å; F363-S366 PolarHBondContact O-OG 3.09Å; Q364-S366 PolarHBondContact O-N 3.27Å; S366-W368 VanDerWaalsContact CB-CE3 3.45Å; S366-W368 PolarHBondContact O-N 2.04Å; S366-W368 PolarHBondContact OG-N 3.13Å; S366-W368 VanDerWaalsContact OG-N 3.17Å
367	G	96.8	Very high	97.8	Very high	10 Å²	10	28.6 Å²	28.6	10%	0.103	15%	0.153	C	C	.	.	S	Bend	trans	74.2	2.2	-174.3	0	0	0	0	0	113.9	R92 R246 Q364 D365	R92-G367 WeakPolarHBondContact CD-O 3.46Å; R246-G367 VanDerWaalsContact O-CA 3.29Å; R246-G367 WeakPolarHBondContact O-CA 3.44Å; R246-G367 PolarHBondContact O-N 2.82Å; Q364-G367 PolarHBondContact O-N 3Å; D365-G367 PolarHBondContact O-N 3.33Å
368	W	95.8	Very high	97.5	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-92.3	-28.4	-179.1	-54.4	-33.1	0	0	0	113.2	R92 R200 P201 M235 N241 L244 M245 S366	R92-W368 WeakPolarHBondContact CB-O 3.36Å; R92-W368 PolarHBondContact N-O 3.11Å; R200-W368 HydrophobicContact CB-CB 3.88Å; R200-W368 HydrophobicContact CB-CG 3.82Å; R200-W368 HydrophobicContact CG-CB 3.82Å; R200-W368 HydrophobicContact CG-CG 4.17Å; P201-W368 HydrophobicContact CG-CE3 4.39Å; P201-W368 HydrophobicContact CG-CZ3 4.28Å; M235-W368 WeakPolarHBondContact O-CZ3 3.36Å; N241-W368 HydrophobicContact CB-CH2 4.05Å; L244-W368 HydrophobicContact CB-CZ2 4.16Å; M245-W368 HydrophobicContact CG-CH2 4.15Å; M245-W368 HydrophobicContact CG-CZ2 4.09Å; S366-W368 VanDerWaalsContact CB-CE3 3.45Å; S366-W368 PolarHBondContact O-N 2.04Å; S366-W368 PolarHBondContact OG-N 3.13Å; S366-W368 VanDerWaalsContact OG-N 3.17Å
369	W	96.7	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141	-168.4	-48.1	101.8	0	0	0	111.9	L54 L89 S90 V91 Y168 R200 M235 F363 V371	L54-W369 HydrophobicContact CB-CZ3 4.28Å; L54-W369 HydrophobicContact CD1-CH2 3.95Å; L54-W369 HydrophobicContact CD1-CZ3 3.83Å; L54-W369 HydrophobicContact CD2-CH2 4.4Å; L54-W369 HydrophobicContact CD2-CZ3 4.17Å; L54-W369 HydrophobicContact CG-CZ3 4.31Å; L89-W369 HydrophobicContact CB-CB 4.45Å; L89-W369 HydrophobicContact CB-CD2 4.34Å; L89-W369 HydrophobicContact CB-CE3 4Å; L89-W369 HydrophobicContact CD1-CD2 3.97Å; L89-W369 HydrophobicContact CD1-CE3 4.3Å; L89-W369 HydrophobicContact CD1-CG 4.08Å; L89-W369 HydrophobicContact CD2-CB 3.97Å; L89-W369 HydrophobicContact CD2-CG 4.31Å; S90-W369 CarbonylContact O-C 3.28Å; S90-W369 VanDerWaalsContact O-CA 3.28Å; S90-W369 WeakPolarHBondContact O-CA 3.29Å; V91-W369 HydrophobicContact CG2-CE3 4.11Å; V91-W369 HydrophobicContact CG2-CH2 4.46Å; V91-W369 HydrophobicContact CG2-CZ3 3.58Å; Y168-W369 HydrophobicContact CD2-CH2 4.47Å; R200-W369 HydrophobicContact CG-CH2 4.24Å; R200-W369 HydrophobicContact CG-CZ2 3.96Å; M235-W369 HydrophobicContact CB-CZ2 4.19Å; M235-W369 HydrophobicContact CG-CZ2 4.27Å; M235-W369 HydrophobicContact SD-CZ2 4.37Å; F363-W369 AromaticContact CD1-CD1 3.56Å; F363-W369 HydrophobicContact CD1-CG 4.48Å; F363-W369 AromaticContact CD1-NE1 3.72Å; W369-V371 HydrophobicContact CB-CG2 4.43Å
370	D	96.5	Very high	97.1	Very high	59 Å²	59	29.7 Å²	29.7	32%	0.316	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.3	157	-62.2	-39.4	0	0	0	108.1	S90 R92	S90-D370 PolarHBondContact N-O 2.88Å; S90-D370 PolarHBondContact O-N 3.35Å; R92-D370 IonicContact CZ-OD1 3.9Å; R92-D370 IonicContact NH1-OD1 2.85Å; R92-D370 PolarHBondContact NH1-OD1 2.99Å
371	V	97.8	Very high	96.9	Very high	27 Å²	27	29.8 Å²	29.8	16%	0.164	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.3	-165.9	180	0	0	0	0	111.8	L89 L360 F363 Q364 W369 Y373	L89-V371 HydrophobicContact CD2-CG1 4.5Å; L89-V371 HydrophobicContact CD2-CG2 3.83Å; L360-V371 HydrophobicContact CB-CG1 3.73Å; L360-V371 HydrophobicContact CD1-CG1 4.38Å; L360-V371 HydrophobicContact CD2-CG1 4.03Å; L360-V371 HydrophobicContact CG-CG1 4.25Å; F363-V371 HydrophobicContact CB-CG2 4.04Å; Q364-V371 HydrophobicContact CB-CB 4.4Å; Q364-V371 HydrophobicContact CB-CG2 3.85Å; W369-V371 HydrophobicContact CB-CG2 4.43Å; V371-Y373 HydrophobicContact CB-CD2 4.49Å; V371-Y373 HydrophobicContact CB-CE2 4.13Å; V371-Y373 HydrophobicContact CG1-CD2 4.13Å; V371-Y373 HydrophobicContact CG1-CE2 4.01Å; V371-Y373 PolarHBondContact O-N 2.84Å
372	N	98.2	Very high	96.8	Very high	61 Å²	61	29.8 Å²	29.8	33%	0.326	17%	0.166	S	C	.	.			trans	-91.3	93.9	172.1	177.6	13.7	0	0	0	110.7	K87 A88 S374 V375	K87-N372 PolarHBondContact O-ND2 3.18Å; A88-N372 PolarHBondContact O-N 3.13Å; N372-S374 VanDerWaalsContact CG-OG 3.26Å; N372-S374 PolarHBondContact ND2-OG 3.33Å; N372-S374 PolarHBondContact O-N 2.96Å; N372-S374 VanDerWaalsContact O-N 3.12Å; N372-S374 WeakPolarHBondContact OD1-CB 3.37Å; N372-S374 PolarHBondContact OD1-N 2.97Å; N372-S374 VanDerWaalsContact OD1-N 3.12Å; N372-S374 PolarHBondContact OD1-OG 3.42Å; N372-V375 WeakPolarHBondContact O-CG2 3.29Å; N372-V375 PolarHBondContact O-N 2.72Å
373	Y	98.2	Very high	96.7	Very high	41 Å²	41	33 Å²	33	16%	0.161	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-66.4	-10.6	178.6	-72.7	-93	0	0	0	115.1	R357 L360 A361 Q364 V371 V375 A376	R357-Y373 HydrophobicContact CB-CD1 4.23Å; R357-Y373 HydrophobicContact CB-CE1 4.4Å; R357-Y373 HydrophobicContact CG-CD1 4.24Å; L360-Y373 HydrophobicContact CB-CD1 4.03Å; L360-Y373 HydrophobicContact CB-CE1 3.88Å; L360-Y373 HydrophobicContact CD1-CD1 4.25Å; A361-Y373 VanDerWaalsContact CA-OH 3.32Å; A361-Y373 WeakPolarHBondContact CA-OH 3.38Å; A361-Y373 HydrophobicContact CB-CE1 4.37Å; Q364-Y373 PolarHBondContact OE1-OH 2.87Å; V371-Y373 HydrophobicContact CB-CD2 4.49Å; V371-Y373 HydrophobicContact CB-CE2 4.13Å; V371-Y373 HydrophobicContact CG1-CD2 4.13Å; V371-Y373 HydrophobicContact CG1-CE2 4.01Å; V371-Y373 PolarHBondContact O-N 2.84Å; Y373-V375 PolarHBondContact O-N 3.38Å; Y373-A376 WeakPolarHBondContact O-CB 3.06Å; Y373-A376 PolarHBondContact O-N 2.87Å; Y373-A376 VanDerWaalsContact O-N 3.08Å
374	S	98.2	Very high	96.6	Very high	94 Å²	94	37.9 Å²	37.9	66%	0.657	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-67.2	-14.4	177.4	70.5	0	0	0	0	113.4	N372 A376	N372-S374 VanDerWaalsContact CG-OG 3.26Å; N372-S374 PolarHBondContact ND2-OG 3.33Å; N372-S374 PolarHBondContact O-N 2.96Å; N372-S374 VanDerWaalsContact O-N 3.12Å; N372-S374 WeakPolarHBondContact OD1-CB 3.37Å; N372-S374 PolarHBondContact OD1-N 2.97Å; N372-S374 VanDerWaalsContact OD1-N 3.12Å; N372-S374 PolarHBondContact OD1-OG 3.42Å; S374-A376 VanDerWaalsContact C-N 3.33Å
375	V	97.9	Very high	96.6	Very high	15 Å²	15	37.3 Å²	37.3	9%	0.091	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-84.5	-8.8	174	-47.9	0	0	0	0	113.2	F84 K87 A88 L360 N372 Y373 E377	F84-V375 HydrophobicContact CE2-CB 4.2Å; F84-V375 HydrophobicContact CE2-CG2 4.08Å; F84-V375 HydrophobicContact CZ-CG2 3.91Å; K87-V375 HydrophobicContact CB-CG1 4.4Å; K87-V375 HydrophobicContact CD-CG1 3.81Å; K87-V375 HydrophobicContact CG-CG1 3.77Å; A88-V375 HydrophobicContact CB-CG2 3.78Å; L360-V375 HydrophobicContact CD1-CG2 3.9Å; L360-V375 HydrophobicContact CD2-CG2 4.37Å; N372-V375 WeakPolarHBondContact O-CG2 3.29Å; N372-V375 PolarHBondContact O-N 2.72Å; Y373-V375 PolarHBondContact O-N 3.38Å; V375-E377 PolarHBondContact O-N 3.28Å
376	A	98.1	Very high	96.5	Very high	28 Å²	28	37.3 Å²	37.3	23%	0.231	21%	0.207	C	C	.	.			trans	-61.9	132.2	-178.5	0	0	0	0	0	110.7	R357 L360 Y373 S374	R357-A376 HydrophobicContact CG-CB 3.6Å; L360-A376 HydrophobicContact CD1-CB 3.78Å; Y373-A376 WeakPolarHBondContact O-CB 3.06Å; Y373-A376 PolarHBondContact O-N 2.87Å; Y373-A376 VanDerWaalsContact O-N 3.08Å; S374-A376 VanDerWaalsContact C-N 3.33Å
377	E	95.5	Very high	96.6	Very high	87 Å²	87	39 Å²	39	41%	0.407	22%	0.219	S	C	.	.			trans	-85.5	157.4	175.2	-65.1	178.8	97.5	0	0	111	V354 V355 V375 W379	V354-E377 HydrophobicContact CG1-CB 3.55Å; V355-E377 PolarHBondContact N-OE2 2.91Å; V355-E377 PolarHBondContact O-N 2.89Å; V375-E377 PolarHBondContact O-N 3.28Å; E377-W379 PolarHBondContact O-N 3.03Å
378	D	91.8	Very high	96.6	Very high	82 Å²	82	39.3 Å²	39.3	44%	0.439	22%	0.219	S	C	.	.			trans	-76.6	98.1	177.7	178.2	55.4	0	0	0	111.1	N380 K383 K424	D378-N380 PolarHBondContact O-ND2 3.29Å; D378-N380 PolarHBondContact OD2-ND2 3.38Å; D378-N380 PolarHBondContact OD2-OD1 3.2Å; D378-K383 IonicContact OD1-NZ 3.84Å; D378-K383 PolarHBondContact OD1-NZ 3.06Å; D378-K424 PolarHBondContact O-NZ 3.19Å; D378-K424 IonicContact OD2-NZ 3.01Å; D378-K424 PolarHBondContact OD2-NZ 3.5Å
379	W	94.9	Very high	96.8	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.038	22%	0.219	C	C	.	.			trans	-83.5	124.5	174.8	-176	41.5	0	0	0	110.2	H311 Y312 V340 D342 E343 V354 L358 E377 Y381	H311-W379 AromaticContact CD2-CE3 3.67Å; H311-W379 AromaticContact CD2-CH2 3.63Å; H311-W379 AromaticContact CD2-CZ3 3.28Å; H311-W379 WeakPolarHBondContact CD2-CZ3 3.43Å; H311-W379 AromaticContact CE1-CD2 3.58Å; H311-W379 AromaticContact CE1-CE3 3.31Å; H311-W379 AromaticContact CE1-CZ3 3.79Å; H311-W379 PolarHBondContact CE1-O 2.89Å; H311-W379 VanDerWaalsContact CE1-O 3.27Å; H311-W379 AromaticContact CG-CE3 3.84Å; H311-W379 AromaticContact CG-CZ3 3.71Å; H311-W379 AromaticContact ND1-CE3 3.68Å; H311-W379 AromaticContact NE2-CD2 3.6Å; H311-W379 AromaticContact NE2-CE2 3.86Å; H311-W379 AromaticContact NE2-CE3 3.31Å; H311-W379 VanDerWaalsContact NE2-CE3 3.31Å; H311-W379 AromaticContact NE2-CH2 3.56Å; H311-W379 AromaticContact NE2-CZ2 3.78Å; H311-W379 AromaticContact NE2-CZ3 3.33Å; H311-W379 VanDerWaalsContact NE2-CZ3 3.33Å; H311-W379 WeakPolarHBondContact NE2-CZ3 3.02Å; Y312-W379 HydrophobicContact CE1-CH2 4.3Å; Y312-W379 AromaticContact CZ-CH2 3.83Å; Y312-W379 WeakPolarHBondContact OH-CH2 3.37Å; V340-W379 HydrophobicContact CB-CH2 4.4Å; V340-W379 HydrophobicContact CB-CZ2 4.03Å; V340-W379 HydrophobicContact CG1-CH2 4.23Å; V340-W379 HydrophobicContact CG1-CZ2 4.35Å; V340-W379 VanDerWaalsContact O-CZ2 3.28Å; V340-W379 WeakPolarHBondContact O-CZ2 3.14Å; V340-W379 PolarHBondContact O-NE1 3.01Å; V340-W379 VanDerWaalsContact O-NE1 3.13Å; D342-W379 PolarHBondContact OD1-NE1 3.5Å; E343-W379 HydrophobicContact CB-CZ2 4.12Å; E343-W379 HydrophobicContact CG-CD2 4.08Å; E343-W379 HydrophobicContact CG-CE3 4.34Å; E343-W379 HydrophobicContact CG-CH2 4.39Å; E343-W379 HydrophobicContact CG-CZ2 4.17Å; E343-W379 HydrophobicContact CG-CZ3 4.46Å; V354-W379 HydrophobicContact CG1-CB 3.81Å; V354-W379 HydrophobicContact CG1-CG 4.41Å; L358-W379 HydrophobicContact CB-CZ3 4.06Å; L358-W379 HydrophobicContact CD2-CH2 3.95Å; L358-W379 HydrophobicContact CD2-CZ3 3.91Å; L358-W379 HydrophobicContact CG-CZ3 4.49Å; E377-W379 PolarHBondContact O-N 3.03Å; W379-Y381 WeakPolarHBondContact CZ2-O 3.29Å
380	N	93.2	Very high	96.9	Very high	39 Å²	39	39.3 Å²	39.3	21%	0.209	22%	0.219	C	C	.	.			trans	-111.1	-26.1	-175.3	-72.5	-75.9	0	0	0	113.4	D378 G382 K383 H422 K424	D378-N380 PolarHBondContact O-ND2 3.29Å; D378-N380 PolarHBondContact OD2-ND2 3.38Å; D378-N380 PolarHBondContact OD2-OD1 3.2Å; N380-G382 PolarHBondContact O-N 3.34Å; N380-K383 WeakPolarHBondContact O-CB 3.31Å; N380-K383 PolarHBondContact O-N 3.19Å; N380-H422 HydrophobicContact CB-CB 3.78Å; N380-K424 VanDerWaalsContact ND2-CE 3.31Å; N380-K424 WeakPolarHBondContact ND2-CE 3.44Å; N380-K424 PolarHBondContact ND2-NZ 3.16Å
381	Y	95.2	Very high	96.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	126.4	176.5	-170.3	-81.6	0	0	0	110.9	H311 R338 V339 V340 G341 W379 K383 F389 P410 Y421 H422 L463	H311-Y381 PolarHBondContact NE2-O 3.38Å; R338-Y381 WeakPolarHBondContact O-CE1 3.35Å; R338-Y381 PolarHBondContact O-OH 3.17Å; V339-Y381 VanDerWaalsContact C-CE1 3.47Å; V339-Y381 WeakPolarHBondContact O-CD1 3.33Å; V339-Y381 VanDerWaalsContact O-CE1 3.25Å; V339-Y381 WeakPolarHBondContact O-CE1 3.49Å; V340-Y381 VanDerWaalsContact C-CD1 3.41Å; G341-Y381 VanDerWaalsContact N-CE1 3.31Å; W379-Y381 WeakPolarHBondContact CZ2-O 3.29Å; Y381-K383 PolarHBondContact O-N 3.41Å; Y381-F389 HydrophobicContact CD1-CZ 4.18Å; Y381-F389 HydrophobicContact CE1-CE1 4.21Å; Y381-F389 AromaticContact CE1-CZ 3.57Å; Y381-F389 HydrophobicContact CE1-CZ 3.57Å; Y381-P410 HydrophobicContact CD2-CB 3.87Å; Y381-P410 HydrophobicContact CD2-CG 3.96Å; Y381-P410 HydrophobicContact CE1-CG 4.25Å; Y381-P410 HydrophobicContact CE2-CB 3.38Å; Y381-P410 HydrophobicContact CE2-CG 3.3Å; Y381-P410 VanDerWaalsContact CZ-CG 3.46Å; Y381-Y421 HydrophobicContact CD2-CE2 4.02Å; Y381-Y421 AromaticContact CD2-CZ 3.96Å; Y381-Y421 VanDerWaalsContact CD2-OH 3.24Å; Y381-Y421 WeakPolarHBondContact CD2-OH 3.4Å; Y381-Y421 HydrophobicContact CE2-CE2 4.29Å; Y381-H422 VanDerWaalsContact CA-CE1 3.5Å; Y381-H422 WeakPolarHBondContact CA-CE1 3.27Å; Y381-H422 AromaticContact CD2-NE2 3.48Å; Y381-H422 WeakPolarHBondContact CD2-NE2 3.32Å; Y381-H422 AromaticContact CG-NE2 4Å; Y381-L463 HydrophobicContact CE2-CD2 4.31Å; Y381-L463 WeakPolarHBondContact OH-CD2 3.4Å
382	G	96.6	Very high	97	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-8	-179	0	0	0	0	0	115.9	Y312 N380 N384 L385 F389	Y312-G382 VanDerWaalsContact CD1-O 3.26Å; Y312-G382 WeakPolarHBondContact CD1-O 3.3Å; N380-G382 PolarHBondContact O-N 3.34Å; G382-N384 PolarHBondContact O-N 3.48Å; G382-L385 PolarHBondContact O-N 2.87Å; G382-L385 VanDerWaalsContact O-N 3.16Å; G382-F389 VanDerWaalsContact CA-CE1 3.43Å
383	K	96.3	Very high	97	Very high	66 Å²	66	38.3 Å²	38.3	29%	0.287	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	125.1	-173.1	-167.1	176.3	-170.6	169	0	111.3	H311 D378 N380 Y381 L385	H311-K383 CarbonylContact O-C 3.57Å; H311-K383 WeakPolarHBondContact O-CA 3.28Å; D378-K383 IonicContact OD1-NZ 3.84Å; D378-K383 PolarHBondContact OD1-NZ 3.06Å; N380-K383 WeakPolarHBondContact O-CB 3.31Å; N380-K383 PolarHBondContact O-N 3.19Å; Y381-K383 PolarHBondContact O-N 3.41Å; K383-L385 PolarHBondContact O-N 2.95Å; K383-L385 VanDerWaalsContact O-N 3.14Å
384	N	96.6	Very high	97	Very high	103 Å²	103	36.3 Å²	36.3	55%	0.551	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	18.6	-177.9	-58.1	-50.9	0	0	0	115.9	H311 Y312 N313 G382 G386	H311-N384 PolarHBondContact O-N 3.15Å; Y312-N384 CarbonylContact O-C 3.6Å; N313-N384 HydrophobicContact CB-CB 4.35Å; G382-N384 PolarHBondContact O-N 3.48Å; N384-G386 VanDerWaalsContact C-N 3.27Å; N384-G386 PolarHBondContact O-N 2.88Å
385	L	97.5	Very high	97	Very high	43 Å²	43	32.9 Å²	32.9	23%	0.225	17%	0.171	C	C	.	.			trans	-81.6	-4.2	-178.7	-59	-169.2	0	0	0	114	Y312 G382 K383 F389 Y397	Y312-L385 PolarHBondContact O-N 3.21Å; G382-L385 PolarHBondContact O-N 2.87Å; G382-L385 VanDerWaalsContact O-N 3.16Å; K383-L385 PolarHBondContact O-N 2.95Å; K383-L385 VanDerWaalsContact O-N 3.14Å; L385-F389 HydrophobicContact CB-CB 3.61Å; L385-F389 HydrophobicContact CB-CD1 4.06Å; L385-F389 HydrophobicContact CB-CD2 4.09Å; L385-F389 HydrophobicContact CB-CG 3.63Å; L385-F389 HydrophobicContact CD1-CD1 4.34Å; L385-F389 HydrophobicContact CD1-CD2 3.65Å; L385-F389 HydrophobicContact CD1-CE1 4.42Å; L385-F389 HydrophobicContact CD1-CE2 3.74Å; L385-F389 HydrophobicContact CD1-CG 3.97Å; L385-F389 HydrophobicContact CD1-CZ 4.13Å; L385-F389 HydrophobicContact CG-CG 4.44Å; L385-Y397 HydrophobicContact CB-CE2 4.05Å
386	G	98	Very high	97	Very high	13 Å²	13	32.8 Å²	32.8	13%	0.134	17%	0.172	C	C	.	.	H	α-helix	trans	77.7	178.4	170.6	0	0	0	0	0	114.5	Y312 N384 T388 F389	Y312-G386 VanDerWaalsContact O-CA 3.25Å; Y312-G386 WeakPolarHBondContact O-CA 3.39Å; Y312-G386 PolarHBondContact O-N 3.27Å; N384-G386 VanDerWaalsContact C-N 3.27Å; N384-G386 PolarHBondContact O-N 2.88Å; G386-T388 VanDerWaalsContact C-N 3.33Å; G386-T388 PolarHBondContact O-N 2Å; G386-F389 WeakPolarHBondContact O-CB 3.28Å; G386-F389 PolarHBondContact O-N 2.96Å
387	C	98.5	Very high	97.1	Very high	35 Å²	35	31.6 Å²	31.6	24%	0.236	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-34.5	-173	-65.5	0	0	0	0	114.7	C314 F389 V390 R391	C314-C387 WeakPolarHBondContact CA-SG 3.34Å; C314-C387 HydrophobicContact CB-CB 4Å; C314-C387 WeakPolarHBondContact CB-SG 3.45Å; C314-C387 WeakPolarHBondContact SG-CA 3.12Å; C314-C387 WeakPolarHBondContact SG-CB 3.32Å; C314-C387 CovalentContact SG-SG 2.04Å; C314-C387 PolarHBondContact SG-SG 3.02Å; C387-F389 VanDerWaalsContact C-N 3.26Å; C387-F389 PolarHBondContact O-N 2.95Å; C387-V390 PolarHBondContact O-N 3.1Å; C387-R391 VanDerWaalsContact O-CB 3.29Å; C387-R391 WeakPolarHBondContact O-CB 3.33Å; C387-R391 PolarHBondContact O-N 2.97Å
388	T	98.3	Very high	97.2	Very high	18 Å²	18	27.7 Å²	27.7	11%	0.11	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-37.3	178.5	-53.2	0	0	0	0	111.1	G386 E392 A396 K400	G386-T388 VanDerWaalsContact C-N 3.33Å; G386-T388 PolarHBondContact O-N 2Å; T388-E392 HydrophobicContact CG2-CB 4.36Å; T388-E392 WeakPolarHBondContact O-CB 3.25Å; T388-E392 PolarHBondContact O-N 2.62Å; T388-A396 HydrophobicContact CG2-CB 4.22Å; T388-K400 HydrophobicContact CG2-CD 4.24Å; T388-K400 PolarHBondContact OG1-NZ 3.38Å
389	F	98.5	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-51.2	178	177	-96.7	0	0	0	112.2	Y312 R338 V339 Y381 G382 L385 G386 C387 Y397 P410 Y411	Y312-F389 AromaticContact CD1-CD1 3.98Å; Y312-F389 HydrophobicContact CD1-CD1 3.98Å; Y312-F389 HydrophobicContact CD1-CE1 4.22Å; Y312-F389 HydrophobicContact CE1-CD1 4.06Å; Y312-F389 AromaticContact CE1-CE1 3.86Å; Y312-F389 HydrophobicContact CE1-CE1 3.86Å; R338-F389 PolarHBondContact NH1-O 3.22Å; V339-F389 HydrophobicContact CB-CE1 4.37Å; Y381-F389 HydrophobicContact CD1-CZ 4.18Å; Y381-F389 HydrophobicContact CE1-CE1 4.21Å; Y381-F389 AromaticContact CE1-CZ 3.57Å; Y381-F389 HydrophobicContact CE1-CZ 3.57Å; G382-F389 VanDerWaalsContact CA-CE1 3.43Å; L385-F389 HydrophobicContact CB-CB 3.61Å; L385-F389 HydrophobicContact CB-CD1 4.06Å; L385-F389 HydrophobicContact CB-CD2 4.09Å; L385-F389 HydrophobicContact CB-CG 3.63Å; L385-F389 HydrophobicContact CD1-CD1 4.34Å; L385-F389 HydrophobicContact CD1-CD2 3.65Å; L385-F389 HydrophobicContact CD1-CE1 4.42Å; L385-F389 HydrophobicContact CD1-CE2 3.74Å; L385-F389 HydrophobicContact CD1-CG 3.97Å; L385-F389 HydrophobicContact CD1-CZ 4.13Å; L385-F389 HydrophobicContact CG-CG 4.44Å; G386-F389 WeakPolarHBondContact O-CB 3.28Å; G386-F389 PolarHBondContact O-N 2.96Å; C387-F389 VanDerWaalsContact C-N 3.26Å; C387-F389 PolarHBondContact O-N 2.95Å; F389-Y397 HydrophobicContact CB-CD2 3.64Å; F389-Y397 HydrophobicContact CB-CE2 3.9Å; F389-Y397 HydrophobicContact CB-CG 4.31Å; F389-Y397 HydrophobicContact CD2-CD1 4.18Å; F389-Y397 HydrophobicContact CD2-CD2 4.05Å; F389-Y397 HydrophobicContact CD2-CE1 4.17Å; F389-Y397 HydrophobicContact CD2-CE2 4.07Å; F389-Y397 HydrophobicContact CD2-CG 4.11Å; F389-Y397 HydrophobicContact CG-CD2 4.37Å; F389-Y397 HydrophobicContact CG-CE2 4.43Å; F389-P410 HydrophobicContact CE2-CG 3.86Å; F389-P410 HydrophobicContact CZ-CG 4.14Å; F389-Y411 AromaticContact CD2-CE2 3.84Å; F389-Y411 HydrophobicContact CD2-CE2 3.84Å; F389-Y411 HydrophobicContact CE2-CD2 4.47Å; F389-Y411 AromaticContact CE2-CE2 3.54Å; F389-Y411 HydrophobicContact CE2-CE2 3.54Å; F389-Y411 AromaticContact CE2-CZ 3.88Å
390	V	98.4	Very high	97.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-85	-23.3	-171.2	59.3	0	0	0	0	113.5	Y312 C314 L317 V339 C387	Y312-V390 HydrophobicContact CD1-CB 4Å; Y312-V390 HydrophobicContact CD1-CG1 4.48Å; Y312-V390 HydrophobicContact CD1-CG2 4.33Å; Y312-V390 HydrophobicContact CD2-CB 4.09Å; Y312-V390 HydrophobicContact CD2-CG1 4.24Å; Y312-V390 HydrophobicContact CD2-CG2 3.75Å; Y312-V390 HydrophobicContact CE1-CB 4.24Å; Y312-V390 HydrophobicContact CE1-CG2 4.24Å; Y312-V390 HydrophobicContact CE2-CB 4.33Å; Y312-V390 HydrophobicContact CE2-CG2 3.64Å; Y312-V390 HydrophobicContact CG-CB 3.93Å; Y312-V390 HydrophobicContact CG-CG1 4.02Å; Y312-V390 HydrophobicContact CG-CG2 4.11Å; C314-V390 HydrophobicContact CB-CG1 4.08Å; L317-V390 HydrophobicContact CD1-CG1 3.92Å; L317-V390 HydrophobicContact CD1-CG2 3.86Å; L317-V390 HydrophobicContact CD2-CG2 4.34Å; V339-V390 HydrophobicContact CB-CG2 4.31Å; V339-V390 HydrophobicContact CG1-CG2 4.44Å; V339-V390 HydrophobicContact CG2-CG2 4.46Å; C387-V390 PolarHBondContact O-N 3.1Å
391	R	98.3	Very high	97.8	Very high	71 Å²	71	28.5 Å²	28.5	27%	0.268	14%	0.143	S	C	.	.	H	α-helix	trans	-111.6	-11.8	-175	-60.3	172	69.9	-149	3.8	115	R283 L317 D318 C387	R283-R391 WeakPolarHBondContact CB-O 3.39Å; R283-R391 WeakPolarHBondContact CD-O 3.31Å; L317-R391 HydrophobicContact CD1-CG 3.85Å; D318-R391 IonicContact OD2-NE 2.77Å; D318-R391 IonicContact OD2-NH2 3.35Å; D318-R391 PolarHBondContact OD2-NH2 2.9Å; C387-R391 VanDerWaalsContact O-CB 3.29Å; C387-R391 WeakPolarHBondContact O-CB 3.33Å; C387-R391 PolarHBondContact O-N 2.97Å
392	E	98.4	Very high	97.9	Very high	54 Å²	54	32.7 Å²	32.7	25%	0.252	16%	0.161	S	C	.	.	S	Bend	trans	-122	-179.4	-178.7	-55.1	176	-131.3	0	0	110.2	R338 T388 A396	R338-E392 PolarHBondContact NH1-O 3.29Å; T388-E392 HydrophobicContact CG2-CB 4.36Å; T388-E392 WeakPolarHBondContact O-CB 3.25Å; T388-E392 PolarHBondContact O-N 2.62Å; E392-A396 HydrophobicContact CB-CB 3.96Å; E392-A396 WeakPolarHBondContact OE2-CB 3.5Å
393	S	98.4	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.			trans	-68.7	158.9	176.3	67.3	0	0	0	0	112	V286 Y395 A396 Y397	V286-S393 VanDerWaalsContact O-CB 3.31Å; V286-S393 WeakPolarHBondContact O-CB 3.3Å; V286-S393 PolarHBondContact O-OG 3Å; S393-Y395 PolarHBondContact O-N 2.91Å; S393-A396 PolarHBondContact O-N 2.94Å; S393-A396 WeakPolarHBondContact OG-CB 3.41Å; S393-A396 PolarHBondContact OG-N 3.11Å; S393-A396 VanDerWaalsContact OG-N 3.11Å; S393-Y397 PolarHBondContact O-N 2.94Å
394	C	98.4	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.7	-35.2	170.8	49.4	0	0	0	0	112.5	Y397 M398 Y411 Y444 C461	C394-Y397 PolarHBondContact O-N 3.11Å; C394-M398 HydrophobicContact CB-SD 4.38Å; C394-M398 WeakPolarHBondContact O-CB 3.36Å; C394-M398 WeakPolarHBondContact O-CG 3.41Å; C394-M398 PolarHBondContact O-N 3.08Å; C394-Y411 HydrophobicContact CB-CD1 3.7Å; C394-Y411 HydrophobicContact CB-CD2 3.93Å; C394-Y411 HydrophobicContact CB-CE1 3.41Å; C394-Y411 VanDerWaalsContact CB-CE1 3.41Å; C394-Y411 HydrophobicContact CB-CE2 3.62Å; C394-Y411 HydrophobicContact CB-CG 3.95Å; C394-Y444 WeakPolarHBondContact SG-CE2 3.44Å; C394-Y444 VanDerWaalsContact SG-CZ 3.58Å; C394-C461 HydrophobicContact CB-CB 3.55Å; C394-C461 WeakPolarHBondContact CB-SG 3.43Å; C394-C461 WeakPolarHBondContact SG-CA 3.37Å; C394-C461 WeakPolarHBondContact SG-CB 3.26Å; C394-C461 CovalentContact SG-SG 2.03Å; C394-C461 PolarHBondContact SG-SG 2.93Å
395	Y	98.5	Very high	97.9	Very high	22 Å²	22	39.3 Å²	39.3	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-43.6	177.5	-178.6	-91	0	0	0	112.6	V286 T287 A288 S393 Y397 M398 M399 Y444 K446	V286-Y395 HydrophobicContact CG1-CD1 4.16Å; V286-Y395 HydrophobicContact CG1-CE1 4.3Å; T287-Y395 VanDerWaalsContact C-CD1 3.46Å; T287-Y395 VanDerWaalsContact C-CE1 3.47Å; T287-Y395 VanDerWaalsContact O-CE1 3.22Å; T287-Y395 WeakPolarHBondContact O-CE1 3.45Å; A288-Y395 HydrophobicContact CB-CD2 4.46Å; A288-Y395 HydrophobicContact CB-CE2 3.9Å; S393-Y395 PolarHBondContact O-N 2.91Å; Y395-Y397 VanDerWaalsContact C-N 3.3Å; Y395-Y397 PolarHBondContact O-N 3.14Å; Y395-M398 PolarHBondContact O-N 3.21Å; Y395-M399 HydrophobicContact CD1-CG 4.07Å; Y395-M399 HydrophobicContact CE1-CG 3.71Å; Y395-M399 HydrophobicContact CE2-CG 4.29Å; Y395-M399 HydrophobicContact CE2-SD 4.48Å; Y395-M399 HydrophobicContact CG-CG 4.5Å; Y395-M399 WeakPolarHBondContact O-CB 3.1Å; Y395-M399 VanDerWaalsContact O-CG 3.27Å; Y395-M399 WeakPolarHBondContact O-CG 3.03Å; Y395-M399 PolarHBondContact O-N 2.82Å; Y395-Y444 VanDerWaalsContact CB-CD1 3.47Å; Y395-Y444 WeakPolarHBondContact CD2-O 3.45Å; Y395-Y444 WeakPolarHBondContact CE2-O 3.32Å; Y395-Y444 HydrophobicContact CG-CD1 4.35Å; Y395-K446 WeakPolarHBondContact OH-CE 3.23Å
396	A	98.4	Very high	97.7	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-45.5	175.2	0	0	0	0	0	111.2	V286 T388 E392 S393 K400	V286-A396 HydrophobicContact CB-CB 4.22Å; T388-A396 HydrophobicContact CG2-CB 4.22Å; E392-A396 HydrophobicContact CB-CB 3.96Å; E392-A396 WeakPolarHBondContact OE2-CB 3.5Å; S393-A396 PolarHBondContact O-N 2.94Å; S393-A396 WeakPolarHBondContact OG-CB 3.41Å; S393-A396 PolarHBondContact OG-N 3.11Å; S393-A396 VanDerWaalsContact OG-N 3.11Å; A396-K400 PolarHBondContact O-N 3.32Å; A396-K400 VanDerWaalsContact O-N 3.08Å
397	Y	98.6	Very high	97.5	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-49.9	176.5	170.9	-96.4	0	0	0	112.7	L385 F389 S393 C394 Y395 M399 K400 M401 E409 Y411	L385-Y397 HydrophobicContact CB-CE2 4.05Å; F389-Y397 HydrophobicContact CB-CD2 3.64Å; F389-Y397 HydrophobicContact CB-CE2 3.9Å; F389-Y397 HydrophobicContact CB-CG 4.31Å; F389-Y397 HydrophobicContact CD2-CD1 4.18Å; F389-Y397 HydrophobicContact CD2-CD2 4.05Å; F389-Y397 HydrophobicContact CD2-CE1 4.17Å; F389-Y397 HydrophobicContact CD2-CE2 4.07Å; F389-Y397 HydrophobicContact CD2-CG 4.11Å; F389-Y397 HydrophobicContact CG-CD2 4.37Å; F389-Y397 HydrophobicContact CG-CE2 4.43Å; S393-Y397 PolarHBondContact O-N 2.94Å; C394-Y397 PolarHBondContact O-N 3.11Å; Y395-Y397 VanDerWaalsContact C-N 3.3Å; Y395-Y397 PolarHBondContact O-N 3.14Å; Y397-M399 VanDerWaalsContact C-N 3.33Å; Y397-M399 PolarHBondContact O-N 2.79Å; Y397-K400 WeakPolarHBondContact O-CB 3.24Å; Y397-K400 PolarHBondContact O-N 3.39Å; Y397-K400 VanDerWaalsContact O-N 3.14Å; Y397-M401 HydrophobicContact CD1-CG 4.25Å; Y397-M401 HydrophobicContact CD2-CE 4.34Å; Y397-M401 HydrophobicContact CD2-CG 4.21Å; Y397-M401 HydrophobicContact CE1-CG 3.73Å; Y397-M401 HydrophobicContact CE2-CE 3.94Å; Y397-M401 HydrophobicContact CE2-CG 3.66Å; Y397-M401 HydrophobicContact CE2-SD 3.8Å; Y397-M401 HydrophobicContact CG-CG 4.47Å; Y397-M401 WeakPolarHBondContact O-CG 3.48Å; Y397-M401 PolarHBondContact O-N 3.12Å; Y397-E409 PolarHBondContact OH-O 2.82Å; Y397-E409 VanDerWaalsContact OH-O 3.06Å; Y397-Y411 AromaticContact CD1-CD2 3.48Å; Y397-Y411 HydrophobicContact CD1-CD2 3.48Å; Y397-Y411 VanDerWaalsContact CD1-CD2 3.48Å; Y397-Y411 AromaticContact CD1-CE2 3.66Å; Y397-Y411 HydrophobicContact CD1-CE2 3.66Å; Y397-Y411 AromaticContact CE1-CD2 3.8Å; Y397-Y411 HydrophobicContact CE1-CD2 3.8Å; Y397-Y411 HydrophobicContact CE1-CE2 4.16Å; Y397-Y411 HydrophobicContact CG-CE2 4.38Å
398	M	98.2	Very high	97.3	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-41.8	-179.5	-70.2	165.4	72.1	0	0	111.5	C394 Y395 K400 M401 K402 M408 Y411 C412 E413 P462	C394-M398 HydrophobicContact CB-SD 4.38Å; C394-M398 WeakPolarHBondContact O-CB 3.36Å; C394-M398 WeakPolarHBondContact O-CG 3.41Å; C394-M398 PolarHBondContact O-N 3.08Å; Y395-M398 PolarHBondContact O-N 3.21Å; M398-K400 PolarHBondContact O-N 3.12Å; M398-M401 PolarHBondContact O-N 2.82Å; M398-K402 WeakPolarHBondContact O-CB 3.48Å; M398-K402 WeakPolarHBondContact O-CG 3.24Å; M398-K402 PolarHBondContact O-N 3.24Å; M398-M408 HydrophobicContact CE-SD 4Å; M398-M408 HydrophobicContact CG-CB 4.34Å; M398-Y411 HydrophobicContact CG-CD2 4.08Å; M398-Y411 HydrophobicContact CG-CG 4.17Å; M398-Y411 VanDerWaalsContact SD-CB 3.56Å; M398-Y411 HydrophobicContact SD-CD2 4.49Å; M398-Y411 HydrophobicContact SD-CG 4.07Å; M398-C412 WeakPolarHBondContact CE-O 3.31Å; M398-E413 HydrophobicContact CE-CG 3.17Å; M398-P462 HydrophobicContact CE-CG 4.07Å; M398-P462 HydrophobicContact SD-CG 4.1Å
399	M	97.7	Very high	97.1	Very high	60 Å²	60	47.3 Å²	47.3	30%	0.296	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-43.5	174.8	-75.5	-59	-53.1	0	0	111.9	Y395 Y397 K402 L403	Y395-M399 HydrophobicContact CD1-CG 4.07Å; Y395-M399 HydrophobicContact CE1-CG 3.71Å; Y395-M399 HydrophobicContact CE2-CG 4.29Å; Y395-M399 HydrophobicContact CE2-SD 4.48Å; Y395-M399 HydrophobicContact CG-CG 4.5Å; Y395-M399 WeakPolarHBondContact O-CB 3.1Å; Y395-M399 VanDerWaalsContact O-CG 3.27Å; Y395-M399 WeakPolarHBondContact O-CG 3.03Å; Y395-M399 PolarHBondContact O-N 2.82Å; Y397-M399 VanDerWaalsContact C-N 3.33Å; Y397-M399 PolarHBondContact O-N 2.79Å; M399-K402 PolarHBondContact O-N 3.22Å; M399-L403 WeakPolarHBondContact O-CG 3.21Å; M399-L403 PolarHBondContact O-N 3.37Å
400	K	98	Very high	97	Very high	74 Å²	74	47.3 Å²	47.3	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-47.4	175.6	-175.9	-175.8	177.7	-178.4	0	111.8	T388 A396 Y397 M398 K402 L403 E404	T388-K400 HydrophobicContact CG2-CD 4.24Å; T388-K400 PolarHBondContact OG1-NZ 3.38Å; A396-K400 PolarHBondContact O-N 3.32Å; A396-K400 VanDerWaalsContact O-N 3.08Å; Y397-K400 WeakPolarHBondContact O-CB 3.24Å; Y397-K400 PolarHBondContact O-N 3.39Å; Y397-K400 VanDerWaalsContact O-N 3.14Å; M398-K400 PolarHBondContact O-N 3.12Å; K400-K402 VanDerWaalsContact C-N 3.31Å; K400-K402 PolarHBondContact O-N 2.82Å; K400-L403 PolarHBondContact O-N 2.93Å; K400-E404 WeakPolarHBondContact CE-OE1 3.43Å; K400-E404 WeakPolarHBondContact O-CG 3.47Å; K400-E404 PolarHBondContact O-N 3.42Å
401	M	97.9	Very high	97	Very high	15 Å²	15	47.2 Å²	47.2	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-41.6	179.8	-67.5	-55.2	97.6	0	0	111.7	Y397 M398 E404 G405 K406 S407 M408	Y397-M401 HydrophobicContact CD1-CG 4.25Å; Y397-M401 HydrophobicContact CD2-CE 4.34Å; Y397-M401 HydrophobicContact CD2-CG 4.21Å; Y397-M401 HydrophobicContact CE1-CG 3.73Å; Y397-M401 HydrophobicContact CE2-CE 3.94Å; Y397-M401 HydrophobicContact CE2-CG 3.66Å; Y397-M401 HydrophobicContact CE2-SD 3.8Å; Y397-M401 HydrophobicContact CG-CG 4.47Å; Y397-M401 WeakPolarHBondContact O-CG 3.48Å; Y397-M401 PolarHBondContact O-N 3.12Å; M398-M401 PolarHBondContact O-N 2.82Å; M401-E404 CarbonylContact O-C 3.52Å; M401-E404 PolarHBondContact O-N 3.18Å; M401-G405 PolarHBondContact O-N 3.38Å; M401-K406 HydrophobicContact CB-CB 4.45Å; M401-K406 PolarHBondContact O-N 3.26Å; M401-K406 HydrophobicContact SD-CB 3.98Å; M401-K406 HydrophobicContact SD-CD 4.26Å; M401-S407 WeakPolarHBondContact CG-O 3.29Å; M401-M408 HydrophobicContact CB-CB 4.3Å
402	K	96.6	Very high	96.9	Very high	89 Å²	89	43.8 Å²	43.8	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-47	174.2	-76.8	173.9	167.1	-172.6	0	113.2	M398 M399 K400 E404 G405 M408 E413	M398-K402 WeakPolarHBondContact O-CB 3.48Å; M398-K402 WeakPolarHBondContact O-CG 3.24Å; M398-K402 PolarHBondContact O-N 3.24Å; M399-K402 PolarHBondContact O-N 3.22Å; K400-K402 VanDerWaalsContact C-N 3.31Å; K400-K402 PolarHBondContact O-N 2.82Å; K402-E404 PolarHBondContact O-N 3.45Å; K402-G405 PolarHBondContact O-N 3.41Å; K402-G405 VanDerWaalsContact O-N 3.1Å; K402-M408 HydrophobicContact CG-CE 4.12Å; K402-E413 VanDerWaalsContact CE-OE1 3.28Å; K402-E413 WeakPolarHBondContact CE-OE1 3.42Å; K402-E413 WeakPolarHBondContact CE-OE2 3.42Å; K402-E413 IonicContact NZ-OE1 3.2Å; K402-E413 PolarHBondContact NZ-OE1 2.82Å; K402-E413 IonicContact NZ-OE2 3.36Å; K402-E413 PolarHBondContact NZ-OE2 3.39Å
403	L	97.3	Very high	96.7	Very high	148 Å²	148	44.3 Å²	44.3	78%	0.775	24%	0.238	S	C	*	.	H	α-helix	trans	-61.9	-34.1	178.5	-72.7	171.2	0	0	0	111.8	M399 K400 G405	M399-L403 WeakPolarHBondContact O-CG 3.21Å; M399-L403 PolarHBondContact O-N 3.37Å; K400-L403 PolarHBondContact O-N 2.93Å; L403-G405 VanDerWaalsContact C-N 3.33Å
404	E	97.2	Very high	96.5	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.8	177.5	-66.3	179.7	-167.2	0	0	113.7	K400 M401 K402 K406	K400-E404 WeakPolarHBondContact CE-OE1 3.43Å; K400-E404 WeakPolarHBondContact O-CG 3.47Å; K400-E404 PolarHBondContact O-N 3.42Å; M401-E404 CarbonylContact O-C 3.52Å; M401-E404 PolarHBondContact O-N 3.18Å; K402-E404 PolarHBondContact O-N 3.45Å; E404-K406 HydrophobicContact CB-CD 4.06Å; E404-K406 HydrophobicContact CB-CG 4.07Å; E404-K406 PolarHBondContact O-N 3.03Å; E404-K406 WeakPolarHBondContact OE2-CD 3.45Å; E404-K406 VanDerWaalsContact OE2-CE 3.3Å; E404-K406 WeakPolarHBondContact OE2-CE 3.27Å; E404-K406 IonicContact OE2-NZ 3.53Å; E404-K406 PolarHBondContact OE2-NZ 3.46Å
405	G	95.4	Very high	96.2	Very high	73 Å²	73	51.6 Å²	51.6	75%	0.753	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	26.9	-175.7	0	0	0	0	0	114	M401 K402 L403	M401-G405 PolarHBondContact O-N 3.38Å; K402-G405 PolarHBondContact O-N 3.41Å; K402-G405 VanDerWaalsContact O-N 3.1Å; L403-G405 VanDerWaalsContact C-N 3.33Å
406	K	93.7	Very high	95.8	Very high	126 Å²	126	53.9 Å²	53.9	55%	0.548	29%	0.293	S	S	.	.			trans	-101.2	162.8	-178.6	-68.8	179.2	-176	164.5	0	111.9	M401 E404	M401-K406 HydrophobicContact CB-CB 4.45Å; M401-K406 PolarHBondContact O-N 3.26Å; M401-K406 HydrophobicContact SD-CB 3.98Å; M401-K406 HydrophobicContact SD-CD 4.26Å; E404-K406 HydrophobicContact CB-CD 4.06Å; E404-K406 HydrophobicContact CB-CG 4.07Å; E404-K406 PolarHBondContact O-N 3.03Å; E404-K406 WeakPolarHBondContact OE2-CD 3.45Å; E404-K406 VanDerWaalsContact OE2-CE 3.3Å; E404-K406 WeakPolarHBondContact OE2-CE 3.27Å; E404-K406 IonicContact OE2-NZ 3.53Å; E404-K406 PolarHBondContact OE2-NZ 3.46Å
407	S	92.2	Very high	95.7	Very high	81 Å²	81	53.4 Å²	53.4	57%	0.566	29%	0.289	S	S	*	.			trans	-58.5	138.6	169.8	-174.1	0	0	0	0	110.4	M401 E409	M401-S407 WeakPolarHBondContact CG-O 3.29Å; S407-E409 VanDerWaalsContact C-N 3.35Å; S407-E409 WeakPolarHBondContact OG-CB 3.44Å; S407-E409 PolarHBondContact OG-N 2.89Å
408	M	95.4	Very high	95.4	Very high	38 Å²	38	54.1 Å²	54.1	19%	0.187	29%	0.293	C	S	.	.			trans	-93.4	4.8	174.2	66.4	-179.2	77	0	0	113	M398 M401 K402 Y411 E413	M398-M408 HydrophobicContact CE-SD 4Å; M398-M408 HydrophobicContact CG-CB 4.34Å; M401-M408 HydrophobicContact CB-CB 4.3Å; K402-M408 HydrophobicContact CG-CE 4.12Å; M408-Y411 CarbonylContact C-O 3.51Å; M408-Y411 WeakPolarHBondContact CG-O 3.46Å; M408-Y411 CarbonylContact O-C 3.58Å; M408-Y411 WeakPolarHBondContact O-CA 3.2Å; M408-Y411 WeakPolarHBondContact O-CB 3.48Å; M408-Y411 PolarHBondContact O-N 3.26Å; M408-E413 HydrophobicContact SD-CG 3.99Å
409	E	94.5	Very high	95.3	Very high	33 Å²	33	56 Å²	56	15%	0.154	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	138	174.9	-173.5	-174.4	160.8	0	0	111.2	Y397 S407 H422 I464	Y397-E409 PolarHBondContact OH-O 2.82Å; Y397-E409 VanDerWaalsContact OH-O 3.06Å; S407-E409 VanDerWaalsContact C-N 3.35Å; S407-E409 WeakPolarHBondContact OG-CB 3.44Å; S407-E409 PolarHBondContact OG-N 2.89Å; E409-H422 WeakPolarHBondContact OE1-CA 3.41Å; E409-H422 IonicContact OE1-CD2 2.86Å; E409-H422 IonicContact OE1-CE1 2.62Å; E409-H422 PolarHBondContact OE1-CE1 3.12Å; E409-H422 IonicContact OE1-CG 2.8Å; E409-H422 PolarHBondContact OE1-N 2.93Å; E409-H422 IonicContact OE1-ND1 2.74Å; E409-H422 PolarHBondContact OE1-ND1 3.17Å; E409-H422 VanDerWaalsContact OE1-ND1 3.12Å; E409-H422 IonicContact OE1-NE2 3.4Å; E409-I464 HydrophobicContact CG-CD1 4.28Å
410	P	95.9	Very high	95.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	cis	-84	2.3	9.9	35.2	-37.2	0	0	0	115.2	Y381 F389 Y421 L463 I464	Y381-P410 HydrophobicContact CD2-CB 3.87Å; Y381-P410 HydrophobicContact CD2-CG 3.96Å; Y381-P410 HydrophobicContact CE1-CG 4.25Å; Y381-P410 HydrophobicContact CE2-CB 3.38Å; Y381-P410 HydrophobicContact CE2-CG 3.3Å; Y381-P410 VanDerWaalsContact CZ-CG 3.46Å; F389-P410 HydrophobicContact CE2-CG 3.86Å; F389-P410 HydrophobicContact CZ-CG 4.14Å; P410-Y421 HydrophobicContact CB-CE2 4.35Å; P410-L463 HydrophobicContact CB-CD2 4.02Å; P410-L463 HydrophobicContact CG-CD2 4.02Å; P410-I464 PolarHBondContact O-N 3.18Å
411	Y	97.4	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-86.6	169.3	178.4	-51.8	-68.5	0	0	0	112.4	R338 F389 C394 Y397 M398 M408 C461 P462 L463	R338-Y411 HydrophobicContact CG-CE1 4.41Å; R338-Y411 VanDerWaalsContact CG-OH 3.26Å; R338-Y411 WeakPolarHBondContact CG-OH 3.46Å; R338-Y411 PolarHBondContact O-OH 3.4Å; F389-Y411 AromaticContact CD2-CE2 3.84Å; F389-Y411 HydrophobicContact CD2-CE2 3.84Å; F389-Y411 HydrophobicContact CE2-CD2 4.47Å; F389-Y411 AromaticContact CE2-CE2 3.54Å; F389-Y411 HydrophobicContact CE2-CE2 3.54Å; F389-Y411 AromaticContact CE2-CZ 3.88Å; C394-Y411 HydrophobicContact CB-CD1 3.7Å; C394-Y411 HydrophobicContact CB-CD2 3.93Å; C394-Y411 HydrophobicContact CB-CE1 3.41Å; C394-Y411 VanDerWaalsContact CB-CE1 3.41Å; C394-Y411 HydrophobicContact CB-CE2 3.62Å; C394-Y411 HydrophobicContact CB-CG 3.95Å; Y397-Y411 AromaticContact CD1-CD2 3.48Å; Y397-Y411 HydrophobicContact CD1-CD2 3.48Å; Y397-Y411 VanDerWaalsContact CD1-CD2 3.48Å; Y397-Y411 AromaticContact CD1-CE2 3.66Å; Y397-Y411 HydrophobicContact CD1-CE2 3.66Å; Y397-Y411 AromaticContact CE1-CD2 3.8Å; Y397-Y411 HydrophobicContact CE1-CD2 3.8Å; Y397-Y411 HydrophobicContact CE1-CE2 4.16Å; Y397-Y411 HydrophobicContact CG-CE2 4.38Å; M398-Y411 HydrophobicContact CG-CD2 4.08Å; M398-Y411 HydrophobicContact CG-CG 4.17Å; M398-Y411 VanDerWaalsContact SD-CB 3.56Å; M398-Y411 HydrophobicContact SD-CD2 4.49Å; M398-Y411 HydrophobicContact SD-CG 4.07Å; M408-Y411 CarbonylContact C-O 3.51Å; M408-Y411 WeakPolarHBondContact CG-O 3.46Å; M408-Y411 CarbonylContact O-C 3.58Å; M408-Y411 WeakPolarHBondContact O-CA 3.2Å; M408-Y411 WeakPolarHBondContact O-CB 3.48Å; M408-Y411 PolarHBondContact O-N 3.26Å; Y411-C461 HydrophobicContact CD1-CB 3.88Å; Y411-C461 HydrophobicContact CE1-CB 3.5Å; Y411-C461 VanDerWaalsContact CE1-CB 3.5Å; Y411-P462 CarbonylContact C-O 2.96Å; Y411-P462 WeakPolarHBondContact CA-O 3.48Å; Y411-P462 WeakPolarHBondContact CB-O 3.38Å; Y411-P462 WeakPolarHBondContact CD1-O 3.42Å; Y411-L463 HydrophobicContact CD1-CD2 3.39Å; Y411-L463 HydrophobicContact CD1-CG 4.02Å; Y411-L463 HydrophobicContact CE1-CD2 3.44Å; Y411-L463 VanDerWaalsContact CE1-CD2 3.44Å; Y411-L463 HydrophobicContact CE1-CG 4.12Å; Y411-L463 HydrophobicContact CG-CD2 4.34Å
412	C	96.3	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.			trans	-159	167.7	-178	61.2	0	0	0	0	111.1	M398 M419 C429 P462 I464	M398-C412 WeakPolarHBondContact CE-O 3.31Å; C412-M419 HydrophobicContact CB-CE 4.49Å; C412-M419 HydrophobicContact CB-SD 3.66Å; C412-C429 HydrophobicContact CB-CB 3.76Å; C412-C429 WeakPolarHBondContact CB-SG 3.37Å; C412-C429 WeakPolarHBondContact SG-CA 3.37Å; C412-C429 WeakPolarHBondContact SG-CB 3.19Å; C412-C429 CovalentContact SG-SG 2.02Å; C412-C429 PolarHBondContact SG-SG 3.36Å; C412-P462 PolarHBondContact N-O 3.16Å; C412-P462 VanDerWaalsContact O-CB 3.24Å; C412-P462 WeakPolarHBondContact O-CB 3.4Å; C412-P462 WeakPolarHBondContact O-CG 3.44Å; C412-I464 HydrophobicContact CB-CD1 4.48Å; C412-I464 HydrophobicContact CB-CG1 3.87Å
413	E	94.8	Very high	94.1	Very high	65 Å²	65	50.2 Å²	50.2	30%	0.304	28%	0.277	S	S	.	.			trans	-131.3	-12	-177.6	-66.7	-179	142	0	0	114.5	M398 K402 M408 I431	M398-E413 HydrophobicContact CE-CG 3.17Å; K402-E413 VanDerWaalsContact CE-OE1 3.28Å; K402-E413 WeakPolarHBondContact CE-OE1 3.42Å; K402-E413 WeakPolarHBondContact CE-OE2 3.42Å; K402-E413 IonicContact NZ-OE1 3.2Å; K402-E413 PolarHBondContact NZ-OE1 2.82Å; K402-E413 IonicContact NZ-OE2 3.36Å; K402-E413 PolarHBondContact NZ-OE2 3.39Å; M408-E413 HydrophobicContact SD-CG 3.99Å; E413-I431 VanDerWaalsContact C-CD1 3.42Å; E413-I431 WeakPolarHBondContact O-CD1 3.41Å
414	E	93.3	Very high	93.8	Very high	110 Å²	110	46.9 Å²	46.9	51%	0.514	26%	0.256	S	S	.	.	S	Bend	trans	-103.4	97.2	-176.3	-67.2	-177.4	-125.9	0	0	109.1	S417 C429 K526	E414-S417 WeakPolarHBondContact CB-OG 3.38Å; E414-S417 WeakPolarHBondContact O-CB 3.33Å; E414-S417 PolarHBondContact O-N 3.48Å; E414-S417 VanDerWaalsContact O-N 3.15Å; E414-S417 PolarHBondContact O-OG 3.08Å; E414-S417 VanDerWaalsContact O-OG 3.09Å; E414-C429 WeakPolarHBondContact O-CB 3.45Å; E414-K526 IonicContact OE1-NZ 3.59Å; E414-K526 PolarHBondContact OE1-NZ 3.33Å; E414-K526 WeakPolarHBondContact OE2-CE 3.35Å; E414-K526 IonicContact OE2-NZ 3.6Å; E414-K526 PolarHBondContact OE2-NZ 3.15Å
415	A	93.6	Very high	93.6	Very high	43 Å²	43	42.8 Å²	42.8	36%	0.355	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	140.9	-179.1	0	0	0	0	0	111.8	S417 I431	A415-S417 PolarHBondContact O-N 3.29Å; A415-I431 HydrophobicContact CB-CB 3.89Å; A415-I431 HydrophobicContact CB-CD1 4.44Å; A415-I431 HydrophobicContact CB-CG2 4.29Å
416	D	90.4	Very high	93.5	Very high	70 Å²	70	39.4 Å²	39.4	37%	0.374	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	7.3	177.5	-51.1	-43.8	0	0	0	115.4	C429	D416-C429 PolarHBondContact N-O 3.06Å
417	S	94.5	Very high	93.5	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	18%	0.176	C	C	.	.			trans	-72.4	135	173.2	-65.1	0	0	0	0	110.8	E414 A415 T428 C429 R524	E414-S417 WeakPolarHBondContact CB-OG 3.38Å; E414-S417 WeakPolarHBondContact O-CB 3.33Å; E414-S417 PolarHBondContact O-N 3.48Å; E414-S417 VanDerWaalsContact O-N 3.15Å; E414-S417 PolarHBondContact O-OG 3.08Å; E414-S417 VanDerWaalsContact O-OG 3.09Å; A415-S417 PolarHBondContact O-N 3.29Å; S417-T428 CarbonylContact O-C 3.58Å; S417-T428 WeakPolarHBondContact O-CA 3.31Å; S417-C429 PolarHBondContact O-N 3.02Å; S417-R524 CarbonylContact C-O 3.59Å; S417-R524 VanDerWaalsContact CA-O 3.28Å; S417-R524 WeakPolarHBondContact CA-O 3.39Å
418	L	94.2	Very high	93.5	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.089	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.6	171.3	-62.4	175.6	0	0	0	109.5	F426 G427 T428 F470 R524 I525 K526 A527	L418-F426 HydrophobicContact CD2-CD2 4.34Å; L418-G427 WeakPolarHBondContact CA-O 3.4Å; L418-T428 HydrophobicContact CD2-CG2 3.58Å; L418-F470 HydrophobicContact CD1-CE2 4.02Å; L418-F470 HydrophobicContact CD1-CZ 3.58Å; L418-F470 HydrophobicContact CD2-CE2 3.79Å; L418-F470 HydrophobicContact CD2-CZ 4.21Å; L418-R524 PolarHBondContact N-O 3.16Å; L418-I525 HydrophobicContact CD1-CG1 4.18Å; L418-I525 HydrophobicContact CD1-CG2 4.36Å; L418-K526 CarbonylContact O-C 3.51Å; L418-K526 VanDerWaalsContact O-CA 3.26Å; L418-K526 WeakPolarHBondContact O-CA 3.44Å; L418-K526 WeakPolarHBondContact O-CB 3.39Å; L418-K526 PolarHBondContact O-N 2.88Å; L418-A527 WeakPolarHBondContact O-CB 3.44Å; L418-A527 PolarHBondContact O-N 2.93Å
419	M	95.2	Very high	93.5	Very high	45 Å²	45	28.4 Å²	28.4	22%	0.222	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	158.3	-175.6	-59.4	-175.3	69.9	0	0	110.2	C412 F426 G427 I464	C412-M419 HydrophobicContact CB-CE 4.49Å; C412-M419 HydrophobicContact CB-SD 3.66Å; M419-F426 CarbonylContact O-C 3.57Å; M419-F426 VanDerWaalsContact O-CA 3.24Å; M419-F426 WeakPolarHBondContact O-CA 3.3Å; M419-G427 PolarHBondContact N-O 2.99Å; M419-G427 PolarHBondContact O-N 3.3Å; M419-I464 HydrophobicContact CB-CD1 3.73Å; M419-I464 HydrophobicContact CB-CG1 4.07Å; M419-I464 HydrophobicContact CB-CG2 4.17Å; M419-I464 HydrophobicContact CE-CD1 4.27Å; M419-I464 HydrophobicContact SD-CD1 4.23Å; M419-I464 HydrophobicContact SD-CG1 4.32Å
420	C	95.1	Very high	93.5	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.047	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	145.5	173.3	-71.1	0	0	0	0	111.3	I464 C504 A527	C420-I464 WeakPolarHBondContact O-CD1 3.49Å; C420-C504 WeakPolarHBondContact CA-SG 3.43Å; C420-C504 HydrophobicContact CB-CB 3.79Å; C420-C504 WeakPolarHBondContact CB-SG 3.4Å; C420-C504 WeakPolarHBondContact SG-CB 3.21Å; C420-C504 PolarHBondContact SG-O 2.83Å; C420-C504 CovalentContact SG-SG 2.05Å; C420-C504 PolarHBondContact SG-SG 2.91Å; C420-A527 HydrophobicContact CB-CB 4.43Å; C420-A527 VanDerWaalsContact N-CB 3.33Å
421	Y	93	Very high	93.5	Very high	14 Å²	14	28 Å²	28	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	105.9	173.1	-176.9	-96.2	0	0	0	108	Y381 P410 H423 K424 A425 I464 P466	Y381-Y421 HydrophobicContact CD2-CE2 4.02Å; Y381-Y421 AromaticContact CD2-CZ 3.96Å; Y381-Y421 VanDerWaalsContact CD2-OH 3.24Å; Y381-Y421 WeakPolarHBondContact CD2-OH 3.4Å; Y381-Y421 HydrophobicContact CE2-CE2 4.29Å; P410-Y421 HydrophobicContact CB-CE2 4.35Å; Y421-H423 PolarHBondContact O-N 2.89Å; Y421-K424 PolarHBondContact O-N 3.41Å; Y421-A425 HydrophobicContact CD1-CB 4.45Å; Y421-A425 PolarHBondContact N-O 3.16Å; Y421-A425 PolarHBondContact O-N 2.93Å; Y421-I464 HydrophobicContact CD2-CB 4.29Å; Y421-I464 HydrophobicContact CD2-CG2 4.39Å; Y421-I464 WeakPolarHBondContact CD2-O 3.44Å; Y421-P466 HydrophobicContact CD1-CG 3.53Å; Y421-P466 HydrophobicContact CD2-CG 4.34Å; Y421-P466 HydrophobicContact CE1-CG 4.01Å; Y421-P466 HydrophobicContact CG-CG 3.71Å
422	H	88.8	Confident	93.4	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	33.7	-175.9	-55.7	-63.9	0	0	0	114.4	N380 Y381 E409 K424	N380-H422 HydrophobicContact CB-CB 3.78Å; Y381-H422 VanDerWaalsContact CA-CE1 3.5Å; Y381-H422 WeakPolarHBondContact CA-CE1 3.27Å; Y381-H422 AromaticContact CD2-NE2 3.48Å; Y381-H422 WeakPolarHBondContact CD2-NE2 3.32Å; Y381-H422 AromaticContact CG-NE2 4Å; E409-H422 WeakPolarHBondContact OE1-CA 3.41Å; E409-H422 IonicContact OE1-CD2 2.86Å; E409-H422 IonicContact OE1-CE1 2.62Å; E409-H422 PolarHBondContact OE1-CE1 3.12Å; E409-H422 IonicContact OE1-CG 2.8Å; E409-H422 PolarHBondContact OE1-N 2.93Å; E409-H422 IonicContact OE1-ND1 2.74Å; E409-H422 PolarHBondContact OE1-ND1 3.17Å; E409-H422 VanDerWaalsContact OE1-ND1 3.12Å; E409-H422 IonicContact OE1-NE2 3.4Å; H422-K424 WeakPolarHBondContact O-CG 3.49Å; H422-K424 PolarHBondContact O-N 2.96Å
423	H	88.4	Confident	93.4	Very high	66 Å²	66	35 Å²	35	31%	0.306	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	4	-168.4	-59.8	-71.3	0	0	0	115.2	Y421 V503 C504	Y421-H423 PolarHBondContact O-N 2.89Å; H423-V503 CarbonylContact O-C 3.57Å; H423-V503 WeakPolarHBondContact O-CA 3.32Å; H423-V503 WeakPolarHBondContact O-CB 3.45Å; H423-C504 PolarHBondContact O-N 2.72Å
424	K	90.6	Very high	93.4	Very high	78 Å²	78	34.8 Å²	34.8	34%	0.339	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-30.4	-176.6	-72	-171.9	-177.1	-176.2	0	112.4	D378 N380 Y421 H422 C479	D378-K424 PolarHBondContact O-NZ 3.19Å; D378-K424 IonicContact OD2-NZ 3.01Å; D378-K424 PolarHBondContact OD2-NZ 3.5Å; N380-K424 VanDerWaalsContact ND2-CE 3.31Å; N380-K424 WeakPolarHBondContact ND2-CE 3.44Å; N380-K424 PolarHBondContact ND2-NZ 3.16Å; Y421-K424 PolarHBondContact O-N 3.41Å; H422-K424 WeakPolarHBondContact O-CG 3.49Å; H422-K424 PolarHBondContact O-N 2.96Å; K424-C479 WeakPolarHBondContact O-CB 3.35Å; K424-C479 PolarHBondContact O-N 3.2Å
425	A	93.4	Very high	93.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164.3	179.2	0	0	0	0	0	110.1	Y421 P466 T477 Y478 C504	Y421-A425 HydrophobicContact CD1-CB 4.45Å; Y421-A425 PolarHBondContact N-O 3.16Å; Y421-A425 PolarHBondContact O-N 2.93Å; A425-P466 HydrophobicContact CB-CB 4.22Å; A425-P466 HydrophobicContact CB-CG 4.05Å; A425-T477 WeakPolarHBondContact CA-O 3.14Å; A425-T477 WeakPolarHBondContact CB-O 3.3Å; A425-Y478 HydrophobicContact CB-CD1 3.98Å; A425-Y478 HydrophobicContact CB-CD2 4.17Å; A425-Y478 HydrophobicContact CB-CE1 4.24Å; A425-Y478 HydrophobicContact CB-CE2 4.41Å; A425-Y478 HydrophobicContact CB-CG 3.94Å; A425-C504 WeakPolarHBondContact O-CB 3.4Å; A425-C504 PolarHBondContact O-SG 3.36Å
426	F	93.4	Very high	93.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	158	154.8	63.2	-85.5	0	0	0	109.6	L418 M419 F470 L475 T477 F498 A527 C529	L418-F426 HydrophobicContact CD2-CD2 4.34Å; M419-F426 CarbonylContact O-C 3.57Å; M419-F426 VanDerWaalsContact O-CA 3.24Å; M419-F426 WeakPolarHBondContact O-CA 3.3Å; F426-F470 HydrophobicContact CE2-CD1 4.24Å; F426-F470 HydrophobicContact CE2-CD2 4.03Å; F426-F470 HydrophobicContact CE2-CE1 4.04Å; F426-F470 AromaticContact CE2-CE2 3.84Å; F426-F470 HydrophobicContact CE2-CE2 3.84Å; F426-F470 HydrophobicContact CE2-CG 4.23Å; F426-F470 AromaticContact CE2-CZ 3.83Å; F426-F470 HydrophobicContact CE2-CZ 3.83Å; F426-F470 HydrophobicContact CZ-CD1 4.28Å; F426-F470 HydrophobicContact CZ-CE1 4.29Å; F426-F470 HydrophobicContact CZ-CG 4.49Å; F426-L475 HydrophobicContact CZ-CD2 4.01Å; F426-T477 WeakPolarHBondContact CD1-O 3.29Å; F426-T477 HydrophobicContact CD2-CG2 3.94Å; F426-T477 HydrophobicContact CE1-CG2 4.24Å; F426-T477 HydrophobicContact CE2-CG2 3.38Å; F426-T477 HydrophobicContact CZ-CG2 3.56Å; F426-T477 PolarHBondContact N-O 2.91Å; F426-T477 VanDerWaalsContact N-O 3.08Å; F426-T477 WeakPolarHBondContact O-CB 3.43Å; F426-T477 PolarHBondContact O-OG1 2.95Å; F426-F498 HydrophobicContact CE1-CE1 4.39Å; F426-F498 HydrophobicContact CE1-CZ 4.36Å; F426-A527 HydrophobicContact CB-CB 4.1Å; F426-C529 WeakPolarHBondContact CD1-SG 3.34Å
427	G	93.1	Very high	94	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.8	178.3	0	0	0	0	0	111.5	L418 M419 Q465	L418-G427 WeakPolarHBondContact CA-O 3.4Å; M419-G427 PolarHBondContact N-O 2.99Å; M419-G427 PolarHBondContact O-N 3.3Å; G427-Q465 CarbonylContact C-O 3.58Å; G427-Q465 WeakPolarHBondContact CA-O 3.27Å
428	T	93	Very high	94.2	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.086	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.5	174.5	47.9	0	0	0	0	110.2	F20 S417 L418 A430 Q465	F20-T428 HydrophobicContact CD1-CG2 4.41Å; F20-T428 HydrophobicContact CE1-CG2 3.63Å; F20-T428 HydrophobicContact CE2-CG2 4.02Å; F20-T428 HydrophobicContact CZ-CG2 3.42Å; F20-T428 VanDerWaalsContact CZ-CG2 3.42Å; S417-T428 CarbonylContact O-C 3.58Å; S417-T428 WeakPolarHBondContact O-CA 3.31Å; L418-T428 HydrophobicContact CD2-CG2 3.58Å; T428-A430 PolarHBondContact O-N 3.44Å; T428-Q465 PolarHBondContact N-O 2.88Å; T428-Q465 PolarHBondContact O-N 3.5Å
429	C	95	Very high	94.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	104.5	167.5	-175.8	0	0	0	0	110.4	C412 E414 D416 S417 I431	C412-C429 HydrophobicContact CB-CB 3.76Å; C412-C429 WeakPolarHBondContact CB-SG 3.37Å; C412-C429 WeakPolarHBondContact SG-CA 3.37Å; C412-C429 WeakPolarHBondContact SG-CB 3.19Å; C412-C429 CovalentContact SG-SG 2.02Å; C412-C429 PolarHBondContact SG-SG 3.36Å; E414-C429 WeakPolarHBondContact O-CB 3.45Å; D416-C429 PolarHBondContact N-O 3.06Å; S417-C429 PolarHBondContact O-N 3.02Å; C429-I431 PolarHBondContact O-N 3.08Å; C429-I431 WeakPolarHBondContact SG-CD1 3.39Å
430	A	93.6	Very high	94.5	Very high	7 Å²	7	55.7 Å²	55.7	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	82.4	-168.4	0	0	0	0	0	111.4	T428 G453 T454 L463 Q465	T428-A430 PolarHBondContact O-N 3.44Å; A430-G453 VanDerWaalsContact O-CA 3.25Å; A430-G453 WeakPolarHBondContact O-CA 3.4Å; A430-T454 WeakPolarHBondContact CB-OG1 3.41Å; A430-T454 PolarHBondContact O-N 3.1Å; A430-L463 WeakPolarHBondContact CB-O 3.13Å; A430-L463 PolarHBondContact N-O 3.25Å; A430-Q465 HydrophobicContact CB-CB 4.2Å; A430-Q465 HydrophobicContact CB-CG 3.58Å
431	I	96	Very high	94.6	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.087	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.3	177.8	-62.3	168.7	0	0	0	108.5	E413 A415 C429 F445 Y451 G452 P462	E413-I431 VanDerWaalsContact C-CD1 3.42Å; E413-I431 WeakPolarHBondContact O-CD1 3.41Å; A415-I431 HydrophobicContact CB-CB 3.89Å; A415-I431 HydrophobicContact CB-CD1 4.44Å; A415-I431 HydrophobicContact CB-CG2 4.29Å; C429-I431 PolarHBondContact O-N 3.08Å; C429-I431 WeakPolarHBondContact SG-CD1 3.39Å; I431-F445 HydrophobicContact CD1-CE1 3.79Å; I431-F445 HydrophobicContact CD1-CZ 3.53Å; I431-F445 HydrophobicContact CG1-CZ 3.81Å; I431-F445 HydrophobicContact CG2-CE1 4.48Å; I431-F445 HydrophobicContact CG2-CE2 4.29Å; I431-F445 HydrophobicContact CG2-CZ 3.99Å; I431-Y451 HydrophobicContact CG2-CD1 4.11Å; I431-G452 WeakPolarHBondContact CA-O 3.39Å; I431-P462 HydrophobicContact CD1-CB 4Å; I431-P462 HydrophobicContact CG1-CB 3.6Å
432	G	95.4	Very high	94.8	Very high	18 Å²	18	59.6 Å²	59.6	19%	0.186	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163	179.2	0	0	0	0	0	112.6	Y451 G452	G432-Y451 WeakPolarHBondContact O-CA 3.19Å; G432-G452 PolarHBondContact N-O 3.34Å; G432-G452 PolarHBondContact O-N 3.18Å; G432-G452 VanDerWaalsContact O-N 3.17Å
433	Q	96.3	Very high	95.2	Very high	129 Å²	129	59.3 Å²	59.3	60%	0.603	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.4	176.1	-168.9	179.8	16	0	0	110.3	D450 Y451	Q433-D450 CarbonylContact C-O 3.55Å; Q433-D450 WeakPolarHBondContact CA-O 3.47Å; Q433-D450 HydrophobicContact CG-CB 4.44Å; Q433-D450 WeakPolarHBondContact CG-OD2 3.45Å; Q433-D450 PolarHBondContact NE2-OD2 2.88Å; Q433-Y451 HydrophobicContact CB-CE1 4.19Å; Q433-Y451 HydrophobicContact CB-CE2 4.1Å; Q433-Y451 HydrophobicContact CG-CD2 4.3Å; Q433-Y451 HydrophobicContact CG-CE2 3.81Å
434	Y	95.5	Very high	95.7	Very high	61 Å²	61	56.5 Å²	56.5	24%	0.239	27%	0.267	C	S	.	.			trans	-98.5	147.7	175.9	-72.8	-96.2	0	0	0	110.6	K436 L438 D450 G453 K460	Y434-K436 WeakPolarHBondContact CB-O 3.12Å; Y434-K436 PolarHBondContact O-N 2.91Å; Y434-K436 VanDerWaalsContact O-N 3.12Å; Y434-L438 HydrophobicContact CD1-CD2 4.08Å; Y434-L438 HydrophobicContact CD2-CD1 4.24Å; Y434-L438 HydrophobicContact CD2-CD2 3.77Å; Y434-L438 HydrophobicContact CD2-CG 4.27Å; Y434-L438 HydrophobicContact CE1-CD2 4.37Å; Y434-L438 HydrophobicContact CE2-CD1 4.39Å; Y434-L438 HydrophobicContact CE2-CD2 4.09Å; Y434-L438 HydrophobicContact CG-CD2 3.76Å; Y434-D450 WeakPolarHBondContact CB-O 3.39Å; Y434-D450 PolarHBondContact N-O 3.48Å; Y434-G453 PolarHBondContact OH-O 3.17Å; Y434-K460 HydrophobicContact CE1-CD 4.35Å; Y434-K460 HydrophobicContact CE2-CD 4.33Å; Y434-K460 VanDerWaalsContact OH-CD 3.28Å; Y434-K460 WeakPolarHBondContact OH-CD 3.32Å; Y434-K460 PolarHBondContact OH-NZ 3.31Å
435	M	95.9	Very high	96	Very high	192 Å²	192	54.4 Å²	54.4	95%	0.946	26%	0.258	S	S	*	.	S	Bend	trans	-65.5	-15.2	179.1	-64.5	-60.6	-64.3	0	0	113.9
436	K	96.4	Very high	96.1	Very high	169 Å²	169	62 Å²	62	74%	0.735	29%	0.291	S	S	*	.	S	Bend	trans	-136.6	155	179.6	-64.8	-176.6	-179.1	179.5	0	108.7	Y434 L438	Y434-K436 WeakPolarHBondContact CB-O 3.12Å; Y434-K436 PolarHBondContact O-N 2.91Å; Y434-K436 VanDerWaalsContact O-N 3.12Å; K436-L438 PolarHBondContact O-N 3.31Å
437	Y	97.9	Very high	96.2	Very high	168 Å²	168	66 Å²	66	66%	0.659	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-59	135.7	172.2	-66.9	-2	0	0	0	110.1	P449 D450	Y437-P449 HydrophobicContact CD1-CB 4.33Å; Y437-P449 HydrophobicContact CD1-CG 3.91Å; Y437-P449 HydrophobicContact CD2-CB 4.26Å; Y437-P449 HydrophobicContact CD2-CG 4.07Å; Y437-P449 HydrophobicContact CE1-CG 3.8Å; Y437-P449 HydrophobicContact CE2-CG 3.95Å; Y437-P449 HydrophobicContact CG-CB 4.11Å; Y437-P449 HydrophobicContact CG-CG 4.05Å; Y437-D450 HydrophobicContact CD1-CB 4Å; Y437-D450 HydrophobicContact CE1-CB 4.38Å
438	L	97.9	Very high	96.4	Very high	14 Å²	14	66.9 Å²	66.9	7%	0.073	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67	160.6	173.9	-62.7	178.2	0	0	0	110	Y434 K436 E442 Q443 P449 Y451 K460	Y434-L438 HydrophobicContact CD1-CD2 4.08Å; Y434-L438 HydrophobicContact CD2-CD1 4.24Å; Y434-L438 HydrophobicContact CD2-CD2 3.77Å; Y434-L438 HydrophobicContact CD2-CG 4.27Å; Y434-L438 HydrophobicContact CE1-CD2 4.37Å; Y434-L438 HydrophobicContact CE2-CD1 4.39Å; Y434-L438 HydrophobicContact CE2-CD2 4.09Å; Y434-L438 HydrophobicContact CG-CD2 3.76Å; K436-L438 PolarHBondContact O-N 3.31Å; L438-E442 HydrophobicContact CB-CB 4.24Å; L438-Q443 HydrophobicContact CB-CG 3.99Å; L438-Q443 PolarHBondContact O-NE2 2.83Å; L438-P449 PolarHBondContact N-O 2.92Å; L438-Y451 VanDerWaalsContact CD1-O 3.29Å; L438-Y451 WeakPolarHBondContact CD1-O 3.33Å; L438-K460 HydrophobicContact CD1-CB 4.24Å; L438-K460 HydrophobicContact CD1-CG 4.28Å; L438-K460 HydrophobicContact CD2-CD 4.21Å; L438-K460 HydrophobicContact CD2-CG 4.19Å
439	Q	97.3	Very high	96.6	Very high	126 Å²	126	67.6 Å²	67.6	59%	0.589	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-63.3	149.1	173.9	-64.5	-59.5	-33.8	0	0	110	Q441 E442 Q443	Q439-Q441 PolarHBondContact O-N 2.82Å; Q439-E442 HydrophobicContact CB-CG 4.36Å; Q439-E442 WeakPolarHBondContact CB-OE2 3.23Å; Q439-E442 PolarHBondContact N-OE2 3.29Å; Q439-E442 WeakPolarHBondContact O-CA 3.18Å; Q439-E442 WeakPolarHBondContact O-CB 3.14Å; Q439-E442 PolarHBondContact O-N 2.75Å; Q439-Q443 WeakPolarHBondContact O-CG 3.32Å; Q439-Q443 PolarHBondContact O-N 3.18Å
440	P	97.9	Very high	96.7	Very high	57 Å²	57	68.9 Å²	68.9	37%	0.37	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-52.5	-32.2	-179.5	-29.6	35.8	0	0	0	114.2	T287 V289 F292 E442	T287-P440 WeakPolarHBondContact CG2-O 3.48Å; T287-P440 PolarHBondContact OG1-O 2.8Å; V289-P440 HydrophobicContact CG2-CB 4.01Å; V289-P440 WeakPolarHBondContact CG2-O 3.19Å; F292-P440 HydrophobicContact CE1-CB 4.03Å; F292-P440 HydrophobicContact CE2-CB 4.13Å; F292-P440 HydrophobicContact CZ-CB 3.46Å; F292-P440 VanDerWaalsContact CZ-CB 3.46Å; P440-E442 PolarHBondContact O-N 2.85Å
441	Q	97.3	Very high	96.9	Very high	67 Å²	67	72.7 Å²	72.7	31%	0.313	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-73.2	-7.2	177.2	-67.1	-176.9	46.8	0	0	114.5	W285 T287 F292 I293 Q439 Y444	W285-Q441 VanDerWaalsContact CD1-O 3.29Å; W285-Q441 PolarHBondContact NE1-O 2.6Å; T287-Q441 WeakPolarHBondContact CG2-O 3.2Å; F292-Q441 HydrophobicContact CB-CG 3.77Å; F292-Q441 HydrophobicContact CD1-CG 3.86Å; F292-Q441 HydrophobicContact CD2-CG 3.92Å; F292-Q441 HydrophobicContact CE1-CG 4.44Å; F292-Q441 HydrophobicContact CE2-CG 4.49Å; F292-Q441 HydrophobicContact CG-CG 3.57Å; I293-Q441 PolarHBondContact O-OE1 3.22Å; Q439-Q441 PolarHBondContact O-N 2.82Å; Q441-Y444 PolarHBondContact O-OH 3.2Å
442	E	97.6	Very high	97	Very high	36 Å²	36	71.9 Å²	71.9	17%	0.168	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-120.2	2.1	-176.3	-59.8	176.1	137.6	0	0	112.2	L438 Q439 P440 Y444 K460	L438-E442 HydrophobicContact CB-CB 4.24Å; Q439-E442 HydrophobicContact CB-CG 4.36Å; Q439-E442 WeakPolarHBondContact CB-OE2 3.23Å; Q439-E442 PolarHBondContact N-OE2 3.29Å; Q439-E442 WeakPolarHBondContact O-CA 3.18Å; Q439-E442 WeakPolarHBondContact O-CB 3.14Å; Q439-E442 PolarHBondContact O-N 2.75Å; P440-E442 PolarHBondContact O-N 2.85Å; E442-Y444 WeakPolarHBondContact O-CD2 3.41Å; E442-Y444 PolarHBondContact O-N 3.25Å; E442-K460 HydrophobicContact CB-CB 4.09Å; E442-K460 HydrophobicContact CB-CG 3.84Å; E442-K460 HydrophobicContact CG-CG 4.16Å
443	Q	98	Very high	97	Very high	23 Å²	23	71 Å²	71	11%	0.107	35%	0.353	C	S	.	.			trans	-88.2	99.2	-179.7	-71.3	178.7	24.5	0	0	110.9	T287 A288 V289 L438 Q439 P449	T287-Q443 WeakPolarHBondContact CB-O 2.96Å; A288-Q443 VanDerWaalsContact CB-O 3.28Å; A288-Q443 WeakPolarHBondContact CB-O 3.45Å; A288-Q443 PolarHBondContact N-O 3.02Å; V289-Q443 HydrophobicContact CG1-CB 4.26Å; V289-Q443 HydrophobicContact CG2-CB 4.29Å; L438-Q443 HydrophobicContact CB-CG 3.99Å; L438-Q443 PolarHBondContact O-NE2 2.83Å; Q439-Q443 WeakPolarHBondContact O-CG 3.32Å; Q439-Q443 PolarHBondContact O-N 3.18Å; Q443-P449 HydrophobicContact CG-CB 4.38Å
444	Y	97.9	Very high	96.9	Very high	7 Å²	7	66.7 Å²	66.7	3%	0.027	34%	0.335	C	S	.	.			trans	-103.4	-6.1	-177.5	-50.1	-54.2	0	0	0	114.4	T287 C394 Y395 Q441 E442 D459 K460 C461	T287-Y444 HydrophobicContact CG2-CD1 4.34Å; T287-Y444 HydrophobicContact CG2-CE1 4.03Å; C394-Y444 WeakPolarHBondContact SG-CE2 3.44Å; C394-Y444 VanDerWaalsContact SG-CZ 3.58Å; Y395-Y444 VanDerWaalsContact CB-CD1 3.47Å; Y395-Y444 WeakPolarHBondContact CD2-O 3.45Å; Y395-Y444 WeakPolarHBondContact CE2-O 3.32Å; Y395-Y444 HydrophobicContact CG-CD1 4.35Å; Q441-Y444 PolarHBondContact O-OH 3.2Å; E442-Y444 WeakPolarHBondContact O-CD2 3.41Å; E442-Y444 PolarHBondContact O-N 3.25Å; Y444-D459 WeakPolarHBondContact CE2-O 3.34Å; Y444-D459 PolarHBondContact OH-O 3.34Å; Y444-K460 WeakPolarHBondContact CD2-O 3.49Å; Y444-K460 HydrophobicContact CE2-CB 4.22Å; Y444-K460 WeakPolarHBondContact CE2-O 3.29Å; Y444-C461 HydrophobicContact CE2-CB 4.42Å
445	F	97.2	Very high	96.6	Very high	35 Å²	35	64 Å²	64	15%	0.154	33%	0.326	C	S	.	.	S	Bend	trans	-109.1	118.7	-179.2	-63.4	-86.9	0	0	0	111	I431 G447 A448 Y451 P462	I431-F445 HydrophobicContact CD1-CE1 3.79Å; I431-F445 HydrophobicContact CD1-CZ 3.53Å; I431-F445 HydrophobicContact CG1-CZ 3.81Å; I431-F445 HydrophobicContact CG2-CE1 4.48Å; I431-F445 HydrophobicContact CG2-CE2 4.29Å; I431-F445 HydrophobicContact CG2-CZ 3.99Å; F445-G447 PolarHBondContact O-N 3.06Å; F445-A448 HydrophobicContact CB-CB 3.97Å; F445-A448 PolarHBondContact O-N 3.12Å; F445-Y451 WeakPolarHBondContact CD2-O 3.33Å; F445-P462 HydrophobicContact CE2-CB 4.23Å; F445-P462 HydrophobicContact CE2-CG 4.19Å; F445-P462 HydrophobicContact CZ-CB 3.74Å; F445-P462 HydrophobicContact CZ-CG 3.76Å
446	K	95.4	Very high	96.4	Very high	158 Å²	158	56 Å²	56	69%	0.687	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	127.5	-179.8	-69.9	-175.9	-179	-179.1	0	110.7	A288 Y395 A448	A288-K446 HydrophobicContact CB-CG 4.02Å; Y395-K446 WeakPolarHBondContact OH-CE 3.23Å; K446-A448 PolarHBondContact O-N 3.18Å
447	G	95.7	Very high	96.2	Very high	86 Å²	86	48.5 Å²	48.5	89%	0.887	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	5	178.8	0	0	0	0	0	115	F445	F445-G447 PolarHBondContact O-N 3.06Å
448	A	96.9	Very high	96	Very high	21 Å²	21	40.5 Å²	40.5	17%	0.174	23%	0.226	C	C	.	.			trans	-131.8	68.9	-178	0	0	0	0	0	110.4	F445 K446 D450 Y451	F445-A448 HydrophobicContact CB-CB 3.97Å; F445-A448 PolarHBondContact O-N 3.12Å; K446-A448 PolarHBondContact O-N 3.18Å; A448-D450 PolarHBondContact O-N 2.83Å; A448-D450 VanDerWaalsContact O-N 3.16Å; A448-Y451 HydrophobicContact CB-CD2 3.76Å; A448-Y451 HydrophobicContact CB-CG 4.09Å; A448-Y451 PolarHBondContact O-N 2.59Å
449	P	97.6	Very high	96	Very high	28 Å²	28	39.8 Å²	39.8	18%	0.182	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.5	-173.4	30.2	-37.3	0	0	0	114.1	Y437 L438 Q443	Y437-P449 HydrophobicContact CD1-CB 4.33Å; Y437-P449 HydrophobicContact CD1-CG 3.91Å; Y437-P449 HydrophobicContact CD2-CB 4.26Å; Y437-P449 HydrophobicContact CD2-CG 4.07Å; Y437-P449 HydrophobicContact CE1-CG 3.8Å; Y437-P449 HydrophobicContact CE2-CG 3.95Å; Y437-P449 HydrophobicContact CG-CB 4.11Å; Y437-P449 HydrophobicContact CG-CG 4.05Å; L438-P449 PolarHBondContact N-O 2.92Å; Q443-P449 HydrophobicContact CG-CB 4.38Å
450	D	97.7	Very high	95.9	Very high	28 Å²	28	35.7 Å²	35.7	15%	0.15	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1	174.7	57.3	-28.6	0	0	0	113.4	Q433 Y434 Y437 A448	Q433-D450 CarbonylContact C-O 3.55Å; Q433-D450 WeakPolarHBondContact CA-O 3.47Å; Q433-D450 HydrophobicContact CG-CB 4.44Å; Q433-D450 WeakPolarHBondContact CG-OD2 3.45Å; Q433-D450 PolarHBondContact NE2-OD2 2.88Å; Y434-D450 WeakPolarHBondContact CB-O 3.39Å; Y434-D450 PolarHBondContact N-O 3.48Å; Y437-D450 HydrophobicContact CD1-CB 4Å; Y437-D450 HydrophobicContact CE1-CB 4.38Å; A448-D450 PolarHBondContact O-N 2.83Å; A448-D450 VanDerWaalsContact O-N 3.16Å
451	Y	97.7	Very high	95.9	Very high	87 Å²	87	33 Å²	33	34%	0.341	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.1	176.2	-79.1	-106.9	0	0	0	111.4	I431 G432 Q433 L438 F445 A448	I431-Y451 HydrophobicContact CG2-CD1 4.11Å; G432-Y451 WeakPolarHBondContact O-CA 3.19Å; Q433-Y451 HydrophobicContact CB-CE1 4.19Å; Q433-Y451 HydrophobicContact CB-CE2 4.1Å; Q433-Y451 HydrophobicContact CG-CD2 4.3Å; Q433-Y451 HydrophobicContact CG-CE2 3.81Å; L438-Y451 VanDerWaalsContact CD1-O 3.29Å; L438-Y451 WeakPolarHBondContact CD1-O 3.33Å; F445-Y451 WeakPolarHBondContact CD2-O 3.33Å; A448-Y451 HydrophobicContact CB-CD2 3.76Å; A448-Y451 HydrophobicContact CB-CG 4.09Å; A448-Y451 PolarHBondContact O-N 2.59Å
452	G	97.2	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	175	177.4	0	0	0	0	0	112	I431 G432	I431-G452 WeakPolarHBondContact CA-O 3.39Å; G432-G452 PolarHBondContact N-O 3.34Å; G432-G452 PolarHBondContact O-N 3.18Å; G432-G452 VanDerWaalsContact O-N 3.17Å
453	G	96.4	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	137.4	168.2	0	0	0	0	0	111.3	A430 Y434 K460	A430-G453 VanDerWaalsContact O-CA 3.25Å; A430-G453 WeakPolarHBondContact O-CA 3.4Å; Y434-G453 PolarHBondContact OH-O 3.17Å; G453-K460 WeakPolarHBondContact CA-O 3.46Å; G453-K460 PolarHBondContact N-O 2.82Å
454	T	93.5	Very high	95.6	Very high	38 Å²	38	27.8 Å²	27.8	23%	0.233	16%	0.162	C	C	.	.			trans	-92.6	-10.2	-178.2	53.9	0	0	0	0	114.1	A430	A430-T454 WeakPolarHBondContact CB-OG1 3.41Å; A430-T454 PolarHBondContact O-N 3.1Å
455	G	90.3	Very high	95.3	Very high	4 Å²	4	29.5 Å²	29.5	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-61.6	148.3	176.4	0	0	0	0	0	112.4	E24 V458 Q465	E24-G455 VanDerWaalsContact OE1-CA 3.22Å; E24-G455 WeakPolarHBondContact OE1-CA 3.35Å; G455-V458 WeakPolarHBondContact O-CG2 3.38Å; G455-Q465 VanDerWaalsContact CA-NE2 3.27Å
456	A	90.2	Very high	95.1	Very high	24 Å²	24	28.8 Å²	28.8	20%	0.198	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	139.2	173.2	0	0	0	0	0	111.2	E24 K337 V348	E24-A456 PolarHBondContact OE1-N 2.97Å; E24-A456 PolarHBondContact OE2-N 3.01Å; K337-A456 VanDerWaalsContact CD-O 3.25Å; K337-A456 WeakPolarHBondContact CD-O 3.48Å; K337-A456 WeakPolarHBondContact CE-O 3.45Å; V348-A456 HydrophobicContact CG2-CB 3.9Å
457	L	92.4	Very high	94.7	Very high	11 Å²	11	21.9 Å²	21.9	6%	0.058	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	43.9	174.3	-42.1	-173.5	0	0	0	114.2	E323 E325 T330 K337 V348	E323-L457 HydrophobicContact CG-CB 4.26Å; E323-L457 HydrophobicContact CG-CD1 4.15Å; E323-L457 WeakPolarHBondContact OE1-CD1 2.85Å; E323-L457 WeakPolarHBondContact OE1-CD2 3.43Å; E325-L457 HydrophobicContact CB-CD2 3.73Å; E325-L457 WeakPolarHBondContact OE2-CA 3.26Å; T330-L457 HydrophobicContact CG2-CD1 3.36Å; T330-L457 HydrophobicContact CG2-CD2 4.5Å; K337-L457 HydrophobicContact CB-CB 4.41Å; K337-L457 VanDerWaalsContact CB-O 3.23Å; K337-L457 WeakPolarHBondContact CB-O 3.36Å; K337-L457 HydrophobicContact CD-CB 4.07Å; V348-L457 HydrophobicContact CG2-CB 4.15Å; V348-L457 HydrophobicContact CG2-CD1 3.56Å; V348-L457 HydrophobicContact CG2-CG 3.63Å
458	V	94.6	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-130	17.6	-176.8	-61.1	0	0	0	0	111.7	E325 K337 G455 K460 C461 L463	E325-V458 PolarHBondContact OE2-N 3.27Å; K337-V458 HydrophobicContact CD-CG1 3.87Å; K337-V458 HydrophobicContact CG-CG1 3.99Å; G455-V458 WeakPolarHBondContact O-CG2 3.38Å; V458-K460 PolarHBondContact O-N 2.95Å; V458-C461 WeakPolarHBondContact O-CB 3.27Å; V458-C461 PolarHBondContact O-N 3.11Å; V458-C461 PolarHBondContact O-SG 3.43Å; V458-L463 HydrophobicContact CB-CD1 3.73Å; V458-L463 HydrophobicContact CG1-CD1 3.42Å; V458-L463 VanDerWaalsContact CG1-CD1 3.42Å; V458-L463 HydrophobicContact CG2-CD1 4.18Å
459	D	96.3	Very high	93.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.4	-176.7	-59.4	-48.7	0	0	0	113.3	W285 K294 N324 E325 R338 Y444 C461	W285-D459 HydrophobicContact CZ2-CB 4.24Å; K294-D459 IonicContact NZ-OD1 2.59Å; K294-D459 PolarHBondContact NZ-OD1 3.29Å; K294-D459 IonicContact NZ-OD2 2.59Å; K294-D459 PolarHBondContact NZ-OD2 3.23Å; K294-D459 VanDerWaalsContact NZ-OD2 3.12Å; N324-D459 PolarHBondContact ND2-OD1 2.79Å; E325-D459 WeakPolarHBondContact OE2-CA 3.48Å; E325-D459 PolarHBondContact OE2-N 3.35Å; R338-D459 IonicContact NE-OD2 3.16Å; R338-D459 PolarHBondContact NE-OD2 2.87Å; Y444-D459 WeakPolarHBondContact CE2-O 3.34Å; Y444-D459 PolarHBondContact OH-O 3.34Å; D459-C461 PolarHBondContact O-N 2.91Å
460	K	96.3	Very high	92	Very high	39 Å²	39	21 Å²	21	17%	0.17	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	18.5	-173.2	-48.3	-61.1	168.2	-151.7	0	114.5	Y434 L438 E442 Y444 G453 V458	Y434-K460 HydrophobicContact CE1-CD 4.35Å; Y434-K460 HydrophobicContact CE2-CD 4.33Å; Y434-K460 VanDerWaalsContact OH-CD 3.28Å; Y434-K460 WeakPolarHBondContact OH-CD 3.32Å; Y434-K460 PolarHBondContact OH-NZ 3.31Å; L438-K460 HydrophobicContact CD1-CB 4.24Å; L438-K460 HydrophobicContact CD1-CG 4.28Å; L438-K460 HydrophobicContact CD2-CD 4.21Å; L438-K460 HydrophobicContact CD2-CG 4.19Å; E442-K460 HydrophobicContact CB-CB 4.09Å; E442-K460 HydrophobicContact CB-CG 3.84Å; E442-K460 HydrophobicContact CG-CG 4.16Å; Y444-K460 WeakPolarHBondContact CD2-O 3.49Å; Y444-K460 HydrophobicContact CE2-CB 4.22Å; Y444-K460 WeakPolarHBondContact CE2-O 3.29Å; G453-K460 WeakPolarHBondContact CA-O 3.46Å; G453-K460 PolarHBondContact N-O 2.82Å; V458-K460 PolarHBondContact O-N 2.95Å
461	C	97.9	Very high	90.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.			trans	-70.1	133.5	175.7	-70.8	0	0	0	0	111.3	R338 C394 Y411 Y444 V458 D459 L463	R338-C461 WeakPolarHBondContact CD-SG 3.23Å; R338-C461 HydrophobicContact CG-CB 4.4Å; C394-C461 HydrophobicContact CB-CB 3.55Å; C394-C461 WeakPolarHBondContact CB-SG 3.43Å; C394-C461 WeakPolarHBondContact SG-CA 3.37Å; C394-C461 WeakPolarHBondContact SG-CB 3.26Å; C394-C461 CovalentContact SG-SG 2.03Å; C394-C461 PolarHBondContact SG-SG 2.93Å; Y411-C461 HydrophobicContact CD1-CB 3.88Å; Y411-C461 HydrophobicContact CE1-CB 3.5Å; Y411-C461 VanDerWaalsContact CE1-CB 3.5Å; Y444-C461 HydrophobicContact CE2-CB 4.42Å; V458-C461 WeakPolarHBondContact O-CB 3.27Å; V458-C461 PolarHBondContact O-N 3.11Å; V458-C461 PolarHBondContact O-SG 3.43Å; D459-C461 PolarHBondContact O-N 2.91Å; C461-L463 PolarHBondContact O-N 3.39Å
462	P	96.7	Very high	89.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.			trans	-77.2	109	-177.8	32.4	-35.8	0	0	0	110.3	M398 Y411 C412 I431 F445	M398-P462 HydrophobicContact CE-CG 4.07Å; M398-P462 HydrophobicContact SD-CG 4.1Å; Y411-P462 CarbonylContact C-O 2.96Å; Y411-P462 WeakPolarHBondContact CA-O 3.48Å; Y411-P462 WeakPolarHBondContact CB-O 3.38Å; Y411-P462 WeakPolarHBondContact CD1-O 3.42Å; C412-P462 PolarHBondContact N-O 3.16Å; C412-P462 VanDerWaalsContact O-CB 3.24Å; C412-P462 WeakPolarHBondContact O-CB 3.4Å; C412-P462 WeakPolarHBondContact O-CG 3.44Å; I431-P462 HydrophobicContact CD1-CB 4Å; I431-P462 HydrophobicContact CG1-CB 3.6Å; F445-P462 HydrophobicContact CE2-CB 4.23Å; F445-P462 HydrophobicContact CE2-CG 4.19Å; F445-P462 HydrophobicContact CZ-CB 3.74Å; F445-P462 HydrophobicContact CZ-CG 3.76Å
463	L	94.9	Very high	88.4	Confident	13 Å²	13	33.3 Å²	33.3	7%	0.068	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.7	-174.7	-73.7	167.8	0	0	0	111.9	Y381 P410 Y411 A430 V458 C461 Q465	Y381-L463 HydrophobicContact CE2-CD2 4.31Å; Y381-L463 WeakPolarHBondContact OH-CD2 3.4Å; P410-L463 HydrophobicContact CB-CD2 4.02Å; P410-L463 HydrophobicContact CG-CD2 4.02Å; Y411-L463 HydrophobicContact CD1-CD2 3.39Å; Y411-L463 HydrophobicContact CD1-CG 4.02Å; Y411-L463 HydrophobicContact CE1-CD2 3.44Å; Y411-L463 VanDerWaalsContact CE1-CD2 3.44Å; Y411-L463 HydrophobicContact CE1-CG 4.12Å; Y411-L463 HydrophobicContact CG-CD2 4.34Å; A430-L463 WeakPolarHBondContact CB-O 3.13Å; A430-L463 PolarHBondContact N-O 3.25Å; V458-L463 HydrophobicContact CB-CD1 3.73Å; V458-L463 HydrophobicContact CG1-CD1 3.42Å; V458-L463 VanDerWaalsContact CG1-CD1 3.42Å; V458-L463 HydrophobicContact CG2-CD1 4.18Å; C461-L463 PolarHBondContact O-N 3.39Å; L463-Q465 HydrophobicContact CB-CG 4.46Å; L463-Q465 PolarHBondContact O-N 2.82Å
464	I	94.8	Very high	87.5	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.5	164.7	-57.7	166.9	0	0	0	107.5	E409 P410 C412 M419 C420 Y421	E409-I464 HydrophobicContact CG-CD1 4.28Å; P410-I464 PolarHBondContact O-N 3.18Å; C412-I464 HydrophobicContact CB-CD1 4.48Å; C412-I464 HydrophobicContact CB-CG1 3.87Å; M419-I464 HydrophobicContact CB-CD1 3.73Å; M419-I464 HydrophobicContact CB-CG1 4.07Å; M419-I464 HydrophobicContact CB-CG2 4.17Å; M419-I464 HydrophobicContact CE-CD1 4.27Å; M419-I464 HydrophobicContact SD-CD1 4.23Å; M419-I464 HydrophobicContact SD-CG1 4.32Å; C420-I464 WeakPolarHBondContact O-CD1 3.49Å; Y421-I464 HydrophobicContact CD2-CB 4.29Å; Y421-I464 HydrophobicContact CD2-CG2 4.39Å; Y421-I464 WeakPolarHBondContact CD2-O 3.44Å
465	Q	91.6	Very high	87	Confident	42 Å²	42	35.3 Å²	35.3	20%	0.196	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.3	-175	-67.6	-167.7	-35.6	0	0	111.6	E24 G427 T428 A430 G455 L463	E24-Q465 PolarHBondContact OE1-NE2 2.79Å; G427-Q465 CarbonylContact C-O 3.58Å; G427-Q465 WeakPolarHBondContact CA-O 3.27Å; T428-Q465 PolarHBondContact N-O 2.88Å; T428-Q465 PolarHBondContact O-N 3.5Å; A430-Q465 HydrophobicContact CB-CB 4.2Å; A430-Q465 HydrophobicContact CB-CG 3.58Å; G455-Q465 VanDerWaalsContact CA-NE2 3.27Å; L463-Q465 HydrophobicContact CB-CG 4.46Å; L463-Q465 PolarHBondContact O-N 2.82Å
466	P	92.4	Very high	86.9	Confident	21 Å²	21	35.1 Å²	35.1	14%	0.136	18%	0.175	C	C	.	.			trans	-60.5	146.5	164.2	-23.7	35.1	0	0	0	111.7	Y421 A425 T477 Y478	Y421-P466 HydrophobicContact CD1-CG 3.53Å; Y421-P466 HydrophobicContact CD2-CG 4.34Å; Y421-P466 HydrophobicContact CE1-CG 4.01Å; Y421-P466 HydrophobicContact CG-CG 3.71Å; A425-P466 HydrophobicContact CB-CB 4.22Å; A425-P466 HydrophobicContact CB-CG 4.05Å; P466-T477 VanDerWaalsContact CA-OG1 3.24Å; P466-T477 WeakPolarHBondContact CA-OG1 3.38Å; P466-T477 WeakPolarHBondContact CB-OG1 3.13Å; P466-Y478 HydrophobicContact CB-CD2 4.37Å; P466-Y478 HydrophobicContact CB-CE2 3.83Å; P466-Y478 HydrophobicContact CG-CE2 4.29Å
467	T	87.6	Confident	87	Confident	12 Å²	12	34 Å²	34	7%	0.074	17%	0.165	C	C	.	.			trans	-123	158.8	-177.8	69.5	0	0	0	0	112.1	F20 Q469 M476 T477	F20-T467 HydrophobicContact CD1-CG2 3.78Å; F20-T467 HydrophobicContact CE1-CG2 4.23Å; T467-Q469 WeakPolarHBondContact CB-O 3.08Å; T467-Q469 PolarHBondContact OG1-O 2.96Å; T467-M476 WeakPolarHBondContact O-CA 3.48Å; T467-T477 PolarHBondContact N-OG1 2.81Å; T467-T477 PolarHBondContact O-N 2.84Å; T467-T477 WeakPolarHBondContact OG1-CG2 3.38Å
468	K	82.2	Confident	87	Confident	32 Å²	32	34 Å²	34	14%	0.139	17%	0.165	C	C	.	.	S	Bend	trans	-96.6	-1.7	175	74.5	-172.6	178.8	164.9	0	114.3	S23 Y25 P218 M222 V351 L475	S23-K468 WeakPolarHBondContact OG-CG 3.36Å; S23-K468 PolarHBondContact OG-N 2.88Å; Y25-K468 PolarHBondContact OH-NZ 2.87Å; P218-K468 HydrophobicContact CB-CB 4.26Å; P218-K468 HydrophobicContact CG-CB 3.93Å; P218-K468 HydrophobicContact CG-CG 4.42Å; M222-K468 HydrophobicContact CE-CD 4.26Å; M222-K468 HydrophobicContact SD-CD 3.49Å; M222-K468 WeakPolarHBondContact SD-CD 3.23Å; V351-K468 HydrophobicContact CG1-CB 4.33Å; V351-K468 HydrophobicContact CG2-CB 4.12Å; K468-L475 CarbonylContact C-O 3.45Å; K468-L475 CarbonylContact O-C 3.6Å; K468-L475 PolarHBondContact O-N 2.84Å; K468-L475 VanDerWaalsContact O-O 3.11Å
469	Q	78.3	Confident	87	Confident	56 Å²	56	34 Å²	34	26%	0.262	17%	0.165	S	C	.	.			trans	-143.6	140.3	176.4	-170.4	178.5	3.3	0	0	107.6	T467 E472 E473 L475	T467-Q469 WeakPolarHBondContact CB-O 3.08Å; T467-Q469 PolarHBondContact OG1-O 2.96Å; Q469-E472 PolarHBondContact NE2-O 2.86Å; Q469-E473 WeakPolarHBondContact CA-O 3.3Å; Q469-E473 WeakPolarHBondContact CG-O 3.28Å; Q469-L475 PolarHBondContact N-O 3.07Å
470	F	72.9	Confident	86.9	Confident	30 Å²	30	36.4 Å²	36.4	13%	0.132	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-145.5	119.5	-179	-169.1	-111.7	0	0	0	109.6	F20 L418 F426 E472 E473 L475 T477	F20-F470 HydrophobicContact CE1-CD2 4.14Å; F20-F470 HydrophobicContact CE1-CE2 4.41Å; L418-F470 HydrophobicContact CD1-CE2 4.02Å; L418-F470 HydrophobicContact CD1-CZ 3.58Å; L418-F470 HydrophobicContact CD2-CE2 3.79Å; L418-F470 HydrophobicContact CD2-CZ 4.21Å; F426-F470 HydrophobicContact CE2-CD1 4.24Å; F426-F470 HydrophobicContact CE2-CD2 4.03Å; F426-F470 HydrophobicContact CE2-CE1 4.04Å; F426-F470 AromaticContact CE2-CE2 3.84Å; F426-F470 HydrophobicContact CE2-CE2 3.84Å; F426-F470 HydrophobicContact CE2-CG 4.23Å; F426-F470 AromaticContact CE2-CZ 3.83Å; F426-F470 HydrophobicContact CE2-CZ 3.83Å; F426-F470 HydrophobicContact CZ-CD1 4.28Å; F426-F470 HydrophobicContact CZ-CE1 4.29Å; F426-F470 HydrophobicContact CZ-CG 4.49Å; F470-E472 PolarHBondContact O-N 3.05Å; F470-E473 PolarHBondContact N-O 2.93Å; F470-E473 PolarHBondContact O-N 3.17Å; F470-L475 HydrophobicContact CB-CB 4.47Å; F470-L475 HydrophobicContact CB-CD2 3.8Å; F470-L475 HydrophobicContact CD1-CD2 4.4Å; F470-L475 HydrophobicContact CG-CD2 4.37Å; F470-T477 HydrophobicContact CB-CG2 4.5Å; F470-T477 HydrophobicContact CD2-CG2 4.47Å
471	F	72.4	Confident	86.6	Confident	130 Å²	130	35.4 Å²	35.4	57%	0.57	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	56.1	-172.2	-69.3	-87.6	0	0	0	112.8	L17 E473	L17-F471 HydrophobicContact CD2-CD1 4.02Å; L17-F471 HydrophobicContact CD2-CE1 3.35Å; L17-F471 HydrophobicContact CD2-CZ 4.06Å; F471-E473 PolarHBondContact O-N 2.75Å
472	E	70.7	Confident	86.3	Confident	170 Å²	170	39.3 Å²	39.3	79%	0.794	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	-9.4	178.9	-58.7	174.2	-175.9	0	0	116	Q469 F470	Q469-E472 PolarHBondContact NE2-O 2.86Å; F470-E472 PolarHBondContact O-N 3.05Å
473	E	73.4	Confident	86	Confident	72 Å²	72	41.3 Å²	41.3	34%	0.336	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-86.1	136.6	177.3	-70.3	-81	-179.2	0	0	111.3	Q469 F470 F471 L475 R490	Q469-E473 WeakPolarHBondContact CA-O 3.3Å; Q469-E473 WeakPolarHBondContact CG-O 3.28Å; F470-E473 PolarHBondContact N-O 2.93Å; F470-E473 PolarHBondContact O-N 3.17Å; F471-E473 PolarHBondContact O-N 2.75Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.86Å; E473-R490 VanDerWaalsContact CD-NH2 3.32Å; E473-R490 IonicContact OE1-CZ 2.67Å; E473-R490 IonicContact OE1-NH1 2.87Å; E473-R490 PolarHBondContact OE1-NH1 3.26Å; E473-R490 IonicContact OE1-NH2 3.68Å; E473-R490 PolarHBondContact OE1-NH2 3.46Å; E473-R490 IonicContact OE2-CZ 3.4Å; E473-R490 IonicContact OE2-NH1 3.12Å; E473-R490 IonicContact OE2-NH2 2.58Å; E473-R490 PolarHBondContact OE2-NH2 3.23Å
474	P	77	Confident	85.8	Confident	71 Å²	71	40.7 Å²	40.7	46%	0.461	21%	0.208	S	C	.	.			trans	-69.1	90.9	170.8	29.7	-33	0	0	0	109.2
475	L	84.4	Confident	85.6	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.047	22%	0.221	C	C	.	.			trans	-135.3	127.7	-177.7	176.7	124.2	0	0	0	108.7	F426 K468 Q469 F470 E473 T477 N484 V487 F498	F426-L475 HydrophobicContact CZ-CD2 4.01Å; K468-L475 CarbonylContact C-O 3.45Å; K468-L475 CarbonylContact O-C 3.6Å; K468-L475 PolarHBondContact O-N 2.84Å; K468-L475 VanDerWaalsContact O-O 3.11Å; Q469-L475 PolarHBondContact N-O 3.07Å; F470-L475 HydrophobicContact CB-CB 4.47Å; F470-L475 HydrophobicContact CB-CD2 3.8Å; F470-L475 HydrophobicContact CD1-CD2 4.4Å; F470-L475 HydrophobicContact CG-CD2 4.37Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.86Å; L475-T477 HydrophobicContact CD2-CG2 4.22Å; L475-N484 HydrophobicContact CD1-CB 3.93Å; L475-N484 HydrophobicContact CG-CB 4.47Å; L475-N484 WeakPolarHBondContact CG-OD1 3.48Å; L475-V487 HydrophobicContact CD1-CB 4.16Å; L475-V487 HydrophobicContact CD1-CG1 3.87Å; L475-F498 HydrophobicContact CD1-CE2 4.23Å; L475-F498 HydrophobicContact CD1-CZ 3.94Å
476	M	88.7	Confident	85.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.			trans	-83.5	129.5	169	-70.8	171.9	73.5	0	0	108.6	P218 T221 V351 T467 Y478 H481 L483 N484	P218-M476 HydrophobicContact CB-CG 3.5Å; P218-M476 VanDerWaalsContact CB-CG 3.5Å; P218-M476 HydrophobicContact CB-SD 3.44Å; P218-M476 WeakPolarHBondContact CB-SD 3.36Å; T221-M476 HydrophobicContact CG2-CE 3.88Å; V351-M476 HydrophobicContact CG1-CB 4.12Å; V351-M476 HydrophobicContact CG1-CE 3.26Å; V351-M476 HydrophobicContact CG1-CG 3.74Å; V351-M476 HydrophobicContact CG1-SD 4.22Å; V351-M476 WeakPolarHBondContact O-CE 3.27Å; T467-M476 WeakPolarHBondContact O-CA 3.48Å; M476-Y478 PolarHBondContact O-N 2.68Å; M476-H481 HydrophobicContact CB-CB 4.23Å; M476-H481 PolarHBondContact SD-CD2 3.17Å; M476-H481 PolarHBondContact SD-CE1 2.59Å; M476-H481 PolarHBondContact SD-NE2 3.05Å; M476-L483 HydrophobicContact CG-CD2 4.42Å; M476-N484 PolarHBondContact N-OD1 2.73Å; M476-N484 VanDerWaalsContact O-CG 3.27Å; M476-N484 PolarHBondContact O-ND2 3.07Å; M476-N484 PolarHBondContact O-OD1 3.06Å
477	T	91.5	Very high	85.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.237	C	C	.	.	S	Bend	trans	-74.1	3.2	-177	61.9	0	0	0	0	114.3	A425 F426 P466 T467 F470 L475	A425-T477 WeakPolarHBondContact CA-O 3.14Å; A425-T477 WeakPolarHBondContact CB-O 3.3Å; F426-T477 WeakPolarHBondContact CD1-O 3.29Å; F426-T477 HydrophobicContact CD2-CG2 3.94Å; F426-T477 HydrophobicContact CE1-CG2 4.24Å; F426-T477 HydrophobicContact CE2-CG2 3.38Å; F426-T477 HydrophobicContact CZ-CG2 3.56Å; F426-T477 PolarHBondContact N-O 2.91Å; F426-T477 VanDerWaalsContact N-O 3.08Å; F426-T477 WeakPolarHBondContact O-CB 3.43Å; F426-T477 PolarHBondContact O-OG1 2.95Å; P466-T477 VanDerWaalsContact CA-OG1 3.24Å; P466-T477 WeakPolarHBondContact CA-OG1 3.38Å; P466-T477 WeakPolarHBondContact CB-OG1 3.13Å; T467-T477 PolarHBondContact N-OG1 2.81Å; T467-T477 PolarHBondContact O-N 2.84Å; T467-T477 WeakPolarHBondContact OG1-CG2 3.38Å; F470-T477 HydrophobicContact CB-CG2 4.5Å; F470-T477 HydrophobicContact CD2-CG2 4.47Å; L475-T477 HydrophobicContact CD2-CG2 4.22Å
478	Y	93.1	Very high	85.3	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.039	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-69.1	122.1	168.1	-77.9	-95.8	0	0	0	111.1	V351 K352 A425 P466 M476 D480 H481 N484	V351-Y478 HydrophobicContact CB-CE2 4.08Å; V351-Y478 HydrophobicContact CG1-CD2 4.09Å; V351-Y478 HydrophobicContact CG1-CE2 4.15Å; K352-Y478 HydrophobicContact CB-CD2 4.36Å; K352-Y478 HydrophobicContact CB-CE1 4.11Å; K352-Y478 HydrophobicContact CB-CE2 3.79Å; K352-Y478 HydrophobicContact CD-CD1 4.04Å; K352-Y478 HydrophobicContact CD-CE1 3.93Å; A425-Y478 HydrophobicContact CB-CD1 3.98Å; A425-Y478 HydrophobicContact CB-CD2 4.17Å; A425-Y478 HydrophobicContact CB-CE1 4.24Å; A425-Y478 HydrophobicContact CB-CE2 4.41Å; A425-Y478 HydrophobicContact CB-CG 3.94Å; P466-Y478 HydrophobicContact CB-CD2 4.37Å; P466-Y478 HydrophobicContact CB-CE2 3.83Å; P466-Y478 HydrophobicContact CG-CE2 4.29Å; M476-Y478 PolarHBondContact O-N 2.68Å; Y478-D480 VanDerWaalsContact C-N 3.26Å; Y478-D480 PolarHBondContact O-N 3.33Å; Y478-H481 PolarHBondContact O-N 3.23Å; Y478-N484 PolarHBondContact O-ND2 3.44Å
479	C	94.3	Very high	85.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.2	-172.7	-58.2	0	0	0	0	113.3	K424 F498 G499 S502 C504 C529	K424-C479 WeakPolarHBondContact O-CB 3.35Å; K424-C479 PolarHBondContact O-N 3.2Å; C479-F498 CarbonylContact O-C 3.57Å; C479-F498 VanDerWaalsContact O-CA 3.25Å; C479-F498 WeakPolarHBondContact O-CA 2.97Å; C479-F498 WeakPolarHBondContact O-CB 3.31Å; C479-G499 PolarHBondContact O-N 3.38Å; C479-S502 WeakPolarHBondContact CB-O 3.11Å; C479-S502 WeakPolarHBondContact O-CB 3.02Å; C479-C504 PolarHBondContact SG-N 3.42Å; C479-C529 WeakPolarHBondContact CA-SG 3.43Å; C479-C529 HydrophobicContact CB-CB 3.64Å; C479-C529 WeakPolarHBondContact CB-SG 2.92Å; C479-C529 VanDerWaalsContact SG-CA 3.55Å; C479-C529 WeakPolarHBondContact SG-CB 3.36Å; C479-C529 CovalentContact SG-SG 2.03Å; C479-C529 PolarHBondContact SG-SG 3.31Å
480	D	93.2	Very high	86.1	Confident	51 Å²	51	56 Å²	56	27%	0.273	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	179.5	65.9	-19.3	0	0	0	113.7	K352 Y478 S482	K352-D480 IonicContact NZ-OD2 3.41Å; K352-D480 PolarHBondContact NZ-OD2 2.63Å; Y478-D480 VanDerWaalsContact C-N 3.26Å; Y478-D480 PolarHBondContact O-N 3.33Å; D480-S482 PolarHBondContact O-N 3.17Å
481	H	91.4	Very high	86.7	Confident	19 Å²	19	56.3 Å²	56.3	9%	0.088	30%	0.295	C	S	.	.			trans	-75.1	127	-172.8	-158.2	-82.6	0	0	0	112.7	E217 T221 M476 Y478 L483 N484	E217-H481 IonicContact OE2-CE1 3.27Å; E217-H481 IonicContact OE2-NE2 2.95Å; T221-H481 PolarHBondContact OG1-NE2 2.91Å; M476-H481 HydrophobicContact CB-CB 4.23Å; M476-H481 PolarHBondContact SD-CD2 3.17Å; M476-H481 PolarHBondContact SD-CE1 2.59Å; M476-H481 PolarHBondContact SD-NE2 3.05Å; Y478-H481 PolarHBondContact O-N 3.23Å; H481-L483 VanDerWaalsContact C-N 3.33Å; H481-L483 WeakPolarHBondContact ND1-CB 3.4Å; H481-L483 PolarHBondContact ND1-N 2.98Å; H481-L483 PolarHBondContact O-N 3.25Å; H481-N484 WeakPolarHBondContact O-CB 3.37Å; H481-N484 PolarHBondContact O-N 2.98Å; H481-N484 PolarHBondContact O-ND2 2.87Å
482	S	90.3	Very high	87.6	Confident	82 Å²	82	51.7 Å²	51.7	57%	0.573	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-30	-173.6	57.7	0	0	0	0	113.8	D480 N484 I485	D480-S482 PolarHBondContact O-N 3.17Å; S482-N484 PolarHBondContact O-N 3.02Å; S482-I485 WeakPolarHBondContact O-CB 2.99Å; S482-I485 PolarHBondContact O-N 2.02Å; S482-I485 VanDerWaalsContact O-N 3.08Å
483	L	90.5	Very high	88.6	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.215	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-32.8	173.1	179	63.9	0	0	0	112.5	E217 P218 M476 H481 P486	E217-L483 HydrophobicContact CB-CB 4.34Å; E217-L483 HydrophobicContact CB-CD1 3.96Å; E217-L483 HydrophobicContact CB-CD2 4.03Å; E217-L483 HydrophobicContact CB-CG 4.32Å; P218-L483 HydrophobicContact CB-CD2 4.04Å; P218-L483 HydrophobicContact CG-CD2 4.45Å; M476-L483 HydrophobicContact CG-CD2 4.42Å; H481-L483 VanDerWaalsContact C-N 3.33Å; H481-L483 WeakPolarHBondContact ND1-CB 3.4Å; H481-L483 PolarHBondContact ND1-N 2.98Å; H481-L483 PolarHBondContact O-N 3.25Å; L483-P486 WeakPolarHBondContact O-CD 3.26Å
484	N	91	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-82.7	-15.7	-172.4	-54.3	-26.1	0	0	0	112.9	L475 M476 Y478 H481 S482 V487 A488 F498	L475-N484 HydrophobicContact CD1-CB 3.93Å; L475-N484 HydrophobicContact CG-CB 4.47Å; L475-N484 WeakPolarHBondContact CG-OD1 3.48Å; M476-N484 PolarHBondContact N-OD1 2.73Å; M476-N484 VanDerWaalsContact O-CG 3.27Å; M476-N484 PolarHBondContact O-ND2 3.07Å; M476-N484 PolarHBondContact O-OD1 3.06Å; Y478-N484 PolarHBondContact O-ND2 3.44Å; H481-N484 WeakPolarHBondContact O-CB 3.37Å; H481-N484 PolarHBondContact O-N 2.98Å; H481-N484 PolarHBondContact O-ND2 2.87Å; S482-N484 PolarHBondContact O-N 3.02Å; N484-V487 PolarHBondContact O-N 3.1Å; N484-A488 PolarHBondContact O-N 2.76Å; N484-F498 HydrophobicContact CB-CB 3.69Å; N484-F498 HydrophobicContact CB-CD1 3.36Å; N484-F498 HydrophobicContact CB-CD2 3.7Å; N484-F498 HydrophobicContact CB-CE1 3.82Å; N484-F498 HydrophobicContact CB-CE2 4.13Å; N484-F498 HydrophobicContact CB-CG 3.29Å; N484-F498 HydrophobicContact CB-CZ 4.18Å; N484-F498 WeakPolarHBondContact ND2-CD1 3.43Å; N484-F498 WeakPolarHBondContact ND2-CE1 3.29Å
485	I	91.4	Very high	90.3	Very high	60 Å²	60	40 Å²	40	31%	0.308	22%	0.218	S	C	.	.	H	α-helix	trans	-61.2	-52	-175.3	-63.1	171.1	0	0	0	110.9	S482 V487 A488 Q489 F498	S482-I485 WeakPolarHBondContact O-CB 2.99Å; S482-I485 PolarHBondContact O-N 2.02Å; S482-I485 VanDerWaalsContact O-N 3.08Å; I485-V487 VanDerWaalsContact C-N 3.29Å; I485-V487 PolarHBondContact O-N 3.07Å; I485-A488 PolarHBondContact O-N 3.21Å; I485-Q489 HydrophobicContact CG2-CG 4.47Å; I485-Q489 VanDerWaalsContact O-CG 3.31Å; I485-Q489 WeakPolarHBondContact O-CG 3.46Å; I485-Q489 PolarHBondContact O-N 2.8Å; I485-F498 HydrophobicContact CG1-CB 4.26Å
486	P	90.3	Very high	90.7	Very high	75 Å²	75	40.8 Å²	40.8	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-33.8	177.7	-21.2	34.6	0	0	0	112.8	L483 Q489 R490	L483-P486 WeakPolarHBondContact O-CD 3.26Å; P486-Q489 PolarHBondContact O-N 2.75Å; P486-R490 PolarHBondContact O-N 2.9Å
487	V	85.7	Confident	90.9	Very high	30 Å²	30	41.9 Å²	41.9	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-46	176.7	-177.5	0	0	0	0	110.4	L475 N484 I485 R490	L475-V487 HydrophobicContact CD1-CB 4.16Å; L475-V487 HydrophobicContact CD1-CG1 3.87Å; N484-V487 PolarHBondContact O-N 3.1Å; I485-V487 VanDerWaalsContact C-N 3.29Å; I485-V487 PolarHBondContact O-N 3.07Å; V487-R490 PolarHBondContact O-N 2.68Å
488	A	88.1	Confident	91	Very high	15 Å²	15	42.4 Å²	42.4	12%	0.124	23%	0.233	C	C	.	.	H	α-helix	trans	-69.1	-33.8	177.6	0	0	0	0	0	113.6	N484 I485 R490 G491 F498	N484-A488 PolarHBondContact O-N 2.76Å; I485-A488 PolarHBondContact O-N 3.21Å; A488-R490 VanDerWaalsContact C-N 3.26Å; A488-R490 PolarHBondContact O-N 3.35Å; A488-G491 WeakPolarHBondContact O-CA 3.18Å; A488-G491 PolarHBondContact O-N 3.45Å; A488-F498 HydrophobicContact CB-CD2 3.59Å; A488-F498 HydrophobicContact CB-CE2 3.96Å
489	Q	89.5	Confident	90.9	Very high	151 Å²	151	42.3 Å²	42.3	71%	0.706	24%	0.235	S	C	*	.	H	α-helix	trans	-63.7	-26.8	177.2	-75.4	173	-12.6	0	0	113.5	I485 P486 G491	I485-Q489 HydrophobicContact CG2-CG 4.47Å; I485-Q489 VanDerWaalsContact O-CG 3.31Å; I485-Q489 WeakPolarHBondContact O-CG 3.46Å; I485-Q489 PolarHBondContact O-N 2.8Å; P486-Q489 PolarHBondContact O-N 2.75Å; Q489-G491 PolarHBondContact O-N 2.71Å
490	R	87.7	Confident	90.7	Very high	158 Å²	158	49.3 Å²	49.3	60%	0.596	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15.3	169.9	-70.2	-174.8	-80.4	159.2	-2.3	113.2	E473 P486 V487 A488	E473-R490 VanDerWaalsContact CD-NH2 3.32Å; E473-R490 IonicContact OE1-CZ 2.67Å; E473-R490 IonicContact OE1-NH1 2.87Å; E473-R490 PolarHBondContact OE1-NH1 3.26Å; E473-R490 IonicContact OE1-NH2 3.68Å; E473-R490 PolarHBondContact OE1-NH2 3.46Å; E473-R490 IonicContact OE2-CZ 3.4Å; E473-R490 IonicContact OE2-NH1 3.12Å; E473-R490 IonicContact OE2-NH2 2.58Å; E473-R490 PolarHBondContact OE2-NH2 3.23Å; P486-R490 PolarHBondContact O-N 2.9Å; V487-R490 PolarHBondContact O-N 2.68Å; A488-R490 VanDerWaalsContact C-N 3.26Å; A488-R490 PolarHBondContact O-N 3.35Å
491	G	86.5	Confident	90.6	Very high	38 Å²	38	51.7 Å²	51.7	39%	0.392	29%	0.285	S	S	.	.			trans	91.4	134.6	-177.4	0	0	0	0	0	112.2	A488 Q489	A488-G491 WeakPolarHBondContact O-CA 3.18Å; A488-G491 PolarHBondContact O-N 3.45Å; Q489-G491 PolarHBondContact O-N 2.71Å
492	N	90.4	Very high	90.8	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.171	28%	0.283	C	S	.	.			trans	-135.4	155.1	179.2	66.7	82.7	0	0	0	110.6	F494 G495 Q496 R560	N492-F494 VanDerWaalsContact C-N 3.26Å; N492-F494 PolarHBondContact O-N 2.92Å; N492-F494 PolarHBondContact OD1-N 3.05Å; N492-G495 PolarHBondContact O-N 2.8Å; N492-G495 VanDerWaalsContact O-N 3.09Å; N492-G495 PolarHBondContact OD1-N 2.77Å; N492-Q496 PolarHBondContact ND2-N 3.44Å; N492-Q496 PolarHBondContact ND2-O 2.94Å; N492-Q496 WeakPolarHBondContact OD1-CB 3.45Å; N492-Q496 WeakPolarHBondContact OD1-CG 3.28Å; N492-Q496 PolarHBondContact OD1-N 3.4Å; N492-R560 PolarHBondContact O-NH1 3.11Å
493	I	91.6	Very high	91.1	Very high	43 Å²	43	48 Å²	48	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-32.7	-169.2	-165.8	166	0	0	0	112.9	A513 L515 K518 T520 R560	I493-A513 HydrophobicContact CG1-CB 4.01Å; I493-L515 HydrophobicContact CB-CB 4.29Å; I493-L515 HydrophobicContact CG1-CB 4.05Å; I493-K518 HydrophobicContact CD1-CB 4.37Å; I493-T520 HydrophobicContact CD1-CG2 3.79Å; I493-T520 HydrophobicContact CG1-CG2 4.37Å; I493-R560 WeakPolarHBondContact O-CD 2.95Å
494	F	93.4	Very high	91.3	Very high	18 Å²	18	46 Å²	46	8%	0.079	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.3	179.1	-68.4	-72.4	0	0	0	114.1	N492 Q496 A513 T520 I525 T528 H530 I561	N492-F494 VanDerWaalsContact C-N 3.26Å; N492-F494 PolarHBondContact O-N 2.92Å; N492-F494 PolarHBondContact OD1-N 3.05Å; F494-Q496 HydrophobicContact CB-CG 4.02Å; F494-Q496 PolarHBondContact O-N 2.83Å; F494-A513 HydrophobicContact CD1-CB 3.81Å; F494-A513 HydrophobicContact CE1-CB 3.72Å; F494-A513 HydrophobicContact CZ-CB 4.43Å; F494-T520 HydrophobicContact CE1-CG2 4.04Å; F494-T520 HydrophobicContact CE2-CG2 4.13Å; F494-T520 HydrophobicContact CZ-CG2 3.44Å; F494-T520 VanDerWaalsContact CZ-CG2 3.44Å; F494-I525 HydrophobicContact CE1-CG2 4.22Å; F494-I525 HydrophobicContact CE2-CD1 3.5Å; F494-I525 VanDerWaalsContact CE2-CD1 3.5Å; F494-I525 HydrophobicContact CE2-CG2 4.02Å; F494-I525 HydrophobicContact CZ-CB 4.29Å; F494-I525 HydrophobicContact CZ-CD1 3.44Å; F494-I525 VanDerWaalsContact CZ-CD1 3.44Å; F494-I525 HydrophobicContact CZ-CG1 4.44Å; F494-I525 HydrophobicContact CZ-CG2 3.82Å; F494-T528 HydrophobicContact CB-CG2 3.89Å; F494-T528 HydrophobicContact CD1-CG2 4.47Å; F494-T528 HydrophobicContact CD2-CG2 4.29Å; F494-T528 HydrophobicContact CG-CG2 3.96Å; F494-H530 PolarHBondContact O-CE1 2.99Å; F494-H530 VanDerWaalsContact O-CE1 3.22Å; F494-I561 WeakPolarHBondContact O-CD1 3.5Å
495	G	92.3	Very high	91.6	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	25%	0.251	C	S	.	.			trans	60.3	28.4	177.3	0	0	0	0	0	114	N492 D543	N492-G495 PolarHBondContact O-N 2.8Å; N492-G495 VanDerWaalsContact O-N 3.09Å; N492-G495 PolarHBondContact OD1-N 2.77Å; G495-D543 PolarHBondContact O-N 2.78Å
496	Q	93	Very high	91.8	Very high	25 Å²	25	45.2 Å²	45.2	12%	0.117	25%	0.248	C	C	.	.			trans	-61.3	148	-179.7	-60.7	-170.3	93.4	0	0	111.8	N492 F494 F498 T528 C529	N492-Q496 PolarHBondContact ND2-N 3.44Å; N492-Q496 PolarHBondContact ND2-O 2.94Å; N492-Q496 WeakPolarHBondContact OD1-CB 3.45Å; N492-Q496 WeakPolarHBondContact OD1-CG 3.28Å; N492-Q496 PolarHBondContact OD1-N 3.4Å; F494-Q496 HydrophobicContact CB-CG 4.02Å; F494-Q496 PolarHBondContact O-N 2.83Å; Q496-F498 HydrophobicContact CB-CE2 4.04Å; Q496-T528 HydrophobicContact CG-CG2 4.26Å; Q496-C529 WeakPolarHBondContact CA-O 2.97Å; Q496-C529 VanDerWaalsContact CB-O 3.27Å; Q496-C529 WeakPolarHBondContact CB-O 3.42Å
497	A	93.8	Very high	92.1	Very high	23 Å²	23	42.2 Å²	42.2	19%	0.19	23%	0.228	C	C	.	.			trans	-133.1	150.2	172.9	0	0	0	0	0	110.1	S502 C529 Q531	A497-S502 WeakPolarHBondContact O-CB 3.34Å; A497-C529 PolarHBondContact N-O 3.12Å; A497-C529 VanDerWaalsContact N-O 3.1Å; A497-C529 CarbonylContact O-C 3.55Å; A497-Q531 HydrophobicContact CB-CG 3.85Å
498	F	93.6	Very high	92.6	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.048	24%	0.24	C	C	.	.			trans	-130.4	160.8	-177.7	-63	-97.1	0	0	0	111	F426 L475 C479 N484 I485 A488 Q496 S502 C529	F426-F498 HydrophobicContact CE1-CE1 4.39Å; F426-F498 HydrophobicContact CE1-CZ 4.36Å; L475-F498 HydrophobicContact CD1-CE2 4.23Å; L475-F498 HydrophobicContact CD1-CZ 3.94Å; C479-F498 CarbonylContact O-C 3.57Å; C479-F498 VanDerWaalsContact O-CA 3.25Å; C479-F498 WeakPolarHBondContact O-CA 2.97Å; C479-F498 WeakPolarHBondContact O-CB 3.31Å; N484-F498 HydrophobicContact CB-CB 3.69Å; N484-F498 HydrophobicContact CB-CD1 3.36Å; N484-F498 HydrophobicContact CB-CD2 3.7Å; N484-F498 HydrophobicContact CB-CE1 3.82Å; N484-F498 HydrophobicContact CB-CE2 4.13Å; N484-F498 HydrophobicContact CB-CG 3.29Å; N484-F498 HydrophobicContact CB-CZ 4.18Å; N484-F498 WeakPolarHBondContact ND2-CD1 3.43Å; N484-F498 WeakPolarHBondContact ND2-CE1 3.29Å; I485-F498 HydrophobicContact CG1-CB 4.26Å; A488-F498 HydrophobicContact CB-CD2 3.59Å; A488-F498 HydrophobicContact CB-CE2 3.96Å; Q496-F498 HydrophobicContact CB-CE2 4.04Å; F498-S502 WeakPolarHBondContact CA-OG 3.36Å; F498-C529 HydrophobicContact CD1-CB 4.07Å; F498-C529 HydrophobicContact CE1-CB 3.72Å; F498-C529 VanDerWaalsContact CE1-SG 3.53Å; F498-C529 HydrophobicContact CZ-CB 4.01Å
499	G	91.7	Very high	92.9	Very high	8 Å²	8	47.5 Å²	47.5	8%	0.082	26%	0.261	C	S	.	.	S	Bend	trans	123.5	-179.4	179.7	0	0	0	0	0	112.2	C479 N501 S502	C479-G499 PolarHBondContact O-N 3.38Å; G499-N501 PolarHBondContact O-N 3.13Å; G499-S502 PolarHBondContact N-OG 3.1Å; G499-S502 VanDerWaalsContact O-CB 3.27Å; G499-S502 WeakPolarHBondContact O-CB 3.45Å; G499-S502 PolarHBondContact O-N 2.88Å; G499-S502 PolarHBondContact O-OG 2.88Å; G499-S502 VanDerWaalsContact O-OG 3.12Å
500	N	90.1	Very high	93.2	Very high	148 Å²	148	41.8 Å²	41.8	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-26.2	-166.6	-66.7	0.1	0	0	0	116.5
501	N	91.1	Very high	93.7	Very high	100 Å²	100	34.4 Å²	34.4	54%	0.535	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	26.8	177.8	-62.9	-10.7	0	0	0	112.2	G499 Q531 Y532	G499-N501 PolarHBondContact O-N 3.13Å; N501-Q531 CarbonylContact O-C 3.5Å; N501-Q531 VanDerWaalsContact O-CA 3.25Å; N501-Q531 WeakPolarHBondContact O-CA 3.2Å; N501-Y532 HydrophobicContact CB-CE1 4.46Å; N501-Y532 WeakPolarHBondContact O-CD1 3.34Å; N501-Y532 WeakPolarHBondContact O-CE1 3.5Å; N501-Y532 PolarHBondContact O-N 2.83Å
502	S	95.1	Very high	94.2	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	179.3	-43.9	0	0	0	0	110.7	C479 A497 F498 G499 H530 Q531	C479-S502 WeakPolarHBondContact CB-O 3.11Å; C479-S502 WeakPolarHBondContact O-CB 3.02Å; A497-S502 WeakPolarHBondContact O-CB 3.34Å; F498-S502 WeakPolarHBondContact CA-OG 3.36Å; G499-S502 PolarHBondContact N-OG 3.1Å; G499-S502 VanDerWaalsContact O-CB 3.27Å; G499-S502 WeakPolarHBondContact O-CB 3.45Å; G499-S502 PolarHBondContact O-N 2.88Å; G499-S502 PolarHBondContact O-OG 2.88Å; G499-S502 VanDerWaalsContact O-OG 3.12Å; S502-H530 CarbonylContact C-O 3.32Å; S502-H530 VanDerWaalsContact CA-O 3.22Å; S502-H530 WeakPolarHBondContact CA-O 3.39Å; S502-Q531 WeakPolarHBondContact OG-CG 3.3Å
503	V	95.4	Very high	94.5	Very high	17 Å²	17	35.8 Å²	35.8	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.8	-179	-67.4	0	0	0	0	109.6	H423 I505 C529 H530 Y532 P568 V573	H423-V503 CarbonylContact O-C 3.57Å; H423-V503 WeakPolarHBondContact O-CA 3.32Å; H423-V503 WeakPolarHBondContact O-CB 3.45Å; V503-I505 HydrophobicContact CG2-CD1 3.76Å; V503-I505 HydrophobicContact CG2-CG1 4.5Å; V503-I505 PolarHBondContact O-N 3.17Å; V503-C529 WeakPolarHBondContact O-CA 3Å; V503-H530 PolarHBondContact N-O 2.74Å; V503-H530 PolarHBondContact O-N 3.22Å; V503-Y532 HydrophobicContact CB-CD1 4.44Å; V503-Y532 HydrophobicContact CG1-CD1 3.84Å; V503-Y532 HydrophobicContact CG1-CE1 3.69Å; V503-Y532 HydrophobicContact CG2-CD1 3.85Å; V503-Y532 HydrophobicContact CG2-CG 4.49Å; V503-P568 HydrophobicContact CG2-CG 4.42Å; V503-V573 HydrophobicContact CG1-CG1 4.05Å
504	C	96.1	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.8	170.9	-174.3	0	0	0	0	109.8	C420 H423 A425 C479	C420-C504 WeakPolarHBondContact CA-SG 3.43Å; C420-C504 HydrophobicContact CB-CB 3.79Å; C420-C504 WeakPolarHBondContact CB-SG 3.4Å; C420-C504 WeakPolarHBondContact SG-CB 3.21Å; C420-C504 PolarHBondContact SG-O 2.83Å; C420-C504 CovalentContact SG-SG 2.05Å; C420-C504 PolarHBondContact SG-SG 2.91Å; H423-C504 PolarHBondContact O-N 2.72Å; A425-C504 WeakPolarHBondContact O-CB 3.4Å; A425-C504 PolarHBondContact O-SG 3.36Å; C479-C504 PolarHBondContact SG-N 3.42Å
505	I	96.4	Very high	94.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.8	176.6	-60.2	-58.5	0	0	0	109	V503 W511 A527 T528 H530 V540 A565 P568	V503-I505 HydrophobicContact CG2-CD1 3.76Å; V503-I505 HydrophobicContact CG2-CG1 4.5Å; V503-I505 PolarHBondContact O-N 3.17Å; I505-W511 HydrophobicContact CG2-CH2 4.49Å; I505-A527 WeakPolarHBondContact O-CA 3.15Å; I505-T528 PolarHBondContact N-O 3.12Å; I505-T528 PolarHBondContact O-N 2.99Å; I505-H530 HydrophobicContact CG1-CB 3.85Å; I505-V540 HydrophobicContact CD1-CG1 3.7Å; I505-V540 HydrophobicContact CG1-CG1 4.35Å; I505-A565 HydrophobicContact CG2-CB 3.58Å; I505-P568 HydrophobicContact CD1-CG 4.3Å
506	T	95.9	Very high	94.5	Very high	42 Å²	42	49.4 Å²	49.4	26%	0.258	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.8	173	-53.8	0	0	0	0	109.8	K526 I566	T506-K526 CarbonylContact C-O 3.56Å; T506-K526 WeakPolarHBondContact CA-O 3.4Å; T506-I566 HydrophobicContact CG2-CD1 3.92Å; T506-I566 PolarHBondContact O-N 2.83Å
507	H	96.3	Very high	94.4	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.5	176.5	-60.7	-174.5	0	0	0	109.8	G509 W511 I525 K526 T528	H507-G509 WeakPolarHBondContact CB-O 3.09Å; H507-G509 PolarHBondContact O-N 3.37Å; H507-W511 AromaticContact CD2-CD2 3.95Å; H507-W511 AromaticContact CD2-CE2 3.58Å; H507-W511 AromaticContact CD2-CH2 3.87Å; H507-W511 AromaticContact CD2-CZ2 3.53Å; H507-W511 AromaticContact CE1-CD2 3.72Å; H507-W511 AromaticContact CE1-CE3 3.76Å; H507-W511 AromaticContact CG-CD1 3.91Å; H507-W511 AromaticContact CG-CD2 3.9Å; H507-W511 AromaticContact CG-CE2 3.63Å; H507-W511 AromaticContact CG-NE1 3.66Å; H507-W511 AromaticContact ND1-CD1 3.91Å; H507-W511 AromaticContact ND1-CD2 3.76Å; H507-W511 AromaticContact ND1-CG 3.72Å; H507-W511 AromaticContact NE2-CD2 3.83Å; H507-W511 AromaticContact NE2-CE2 3.91Å; H507-W511 AromaticContact NE2-CE3 3.73Å; H507-W511 AromaticContact NE2-CH2 3.82Å; H507-W511 AromaticContact NE2-CZ2 3.91Å; H507-W511 AromaticContact NE2-CZ3 3.74Å; H507-I525 PolarHBondContact ND1-O 2.8Å; H507-K526 PolarHBondContact N-O 3.14Å; H507-T528 PolarHBondContact NE2-OG1 3.36Å
508	K	95.7	Very high	94.4	Very high	101 Å²	101	59 Å²	59	44%	0.439	33%	0.328	S	S	.	.	S	Bend	trans	-90.7	91.6	167.6	-174.8	179	172.8	-142.4	0	108.4	V553 E564 I566	K508-V553 HydrophobicContact CD-CG1 4.24Å; K508-V553 HydrophobicContact CD-CG2 4.12Å; K508-E564 HydrophobicContact CB-CB 3.9Å; K508-E564 WeakPolarHBondContact CB-O 3.38Å; K508-E564 HydrophobicContact CD-CB 4.22Å; K508-E564 WeakPolarHBondContact CD-OE2 3.42Å; K508-E564 WeakPolarHBondContact CE-OE2 3.49Å; K508-E564 HydrophobicContact CG-CB 4.42Å; K508-E564 PolarHBondContact N-O 2.93Å; K508-E564 IonicContact NZ-OE2 2.73Å; K508-E564 PolarHBondContact NZ-OE2 2.73Å; K508-I566 HydrophobicContact CB-CG1 3.94Å
509	G	95.4	Very high	94.4	Very high	55 Å²	55	62.5 Å²	62.5	57%	0.567	36%	0.359	S	S	*	.	S	Bend	trans	77.1	177.6	-171.5	0	0	0	0	0	112.9	H507 W511	H507-G509 WeakPolarHBondContact CB-O 3.09Å; H507-G509 PolarHBondContact O-N 3.37Å; G509-W511 PolarHBondContact O-N 3.35Å
510	A	96.5	Very high	94.5	Very high	32 Å²	32	63.9 Å²	63.9	26%	0.264	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-77.3	119.4	-175.5	0	0	0	0	0	111.6	Q521 P523	A510-Q521 HydrophobicContact CB-CG 4.02Å; A510-P523 HydrophobicContact CB-CB 4.37Å
511	W	97	Very high	94.8	Very high	3 Å²	3	62 Å²	62	1%	0.011	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-72.3	139.1	175.7	-70.6	10.8	0	0	0	111.4	I505 H507 G509 Q521 H530 I542 I556 I561 E564 A565	I505-W511 HydrophobicContact CG2-CH2 4.49Å; H507-W511 AromaticContact CD2-CD2 3.95Å; H507-W511 AromaticContact CD2-CE2 3.58Å; H507-W511 AromaticContact CD2-CH2 3.87Å; H507-W511 AromaticContact CD2-CZ2 3.53Å; H507-W511 AromaticContact CE1-CD2 3.72Å; H507-W511 AromaticContact CE1-CE3 3.76Å; H507-W511 AromaticContact CG-CD1 3.91Å; H507-W511 AromaticContact CG-CD2 3.9Å; H507-W511 AromaticContact CG-CE2 3.63Å; H507-W511 AromaticContact CG-NE1 3.66Å; H507-W511 AromaticContact ND1-CD1 3.91Å; H507-W511 AromaticContact ND1-CD2 3.76Å; H507-W511 AromaticContact ND1-CG 3.72Å; H507-W511 AromaticContact NE2-CD2 3.83Å; H507-W511 AromaticContact NE2-CE2 3.91Å; H507-W511 AromaticContact NE2-CE3 3.73Å; H507-W511 AromaticContact NE2-CH2 3.82Å; H507-W511 AromaticContact NE2-CZ2 3.91Å; H507-W511 AromaticContact NE2-CZ3 3.74Å; G509-W511 PolarHBondContact O-N 3.35Å; W511-Q521 WeakPolarHBondContact O-CA 3.44Å; W511-H530 AromaticContact CH2-NE2 3.99Å; W511-H530 AromaticContact CZ3-NE2 3.73Å; W511-I542 HydrophobicContact CH2-CD1 3.59Å; W511-I542 HydrophobicContact CH2-CG1 4.44Å; W511-I542 HydrophobicContact CZ2-CD1 4.45Å; W511-I542 HydrophobicContact CZ3-CD1 4.15Å; W511-I542 HydrophobicContact CZ3-CG2 4.35Å; W511-I556 HydrophobicContact CH2-CG1 4.44Å; W511-I556 HydrophobicContact CZ2-CG1 4.27Å; W511-I561 HydrophobicContact CD2-CG2 4.27Å; W511-I561 HydrophobicContact CE3-CG2 3.64Å; W511-I561 HydrophobicContact CZ3-CG2 4.21Å; W511-E564 PolarHBondContact NE1-O 2.87Å; W511-A565 HydrophobicContact CH2-CB 4.37Å; W511-A565 HydrophobicContact CZ2-CB 3.79Å
512	K	97.8	Very high	94.9	Very high	95 Å²	95	59.1 Å²	59.1	41%	0.413	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.5	166.1	-64.9	174.7	-173.3	168.1	0	108.1	T520 Q521 I561 E562	K512-T520 WeakPolarHBondContact CA-O 3.37Å; K512-Q521 HydrophobicContact CG-CB 4.28Å; K512-Q521 HydrophobicContact CG-CG 3.75Å; K512-I561 CarbonylContact O-C 3.52Å; K512-I561 VanDerWaalsContact O-CA 3.31Å; K512-I561 WeakPolarHBondContact O-CA 3.49Å; K512-E562 HydrophobicContact CB-CB 4.31Å; K512-E562 PolarHBondContact N-O 2.68Å; K512-E562 PolarHBondContact O-N 2.84Å
513	A	96.2	Very high	94.9	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.025	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.3	178.2	0	0	0	0	0	111.2	I493 F494 A519 T520 R560 I561	I493-A513 HydrophobicContact CG1-CB 4.01Å; F494-A513 HydrophobicContact CD1-CB 3.81Å; F494-A513 HydrophobicContact CE1-CB 3.72Å; F494-A513 HydrophobicContact CZ-CB 4.43Å; A513-A519 CarbonylContact O-C 3.56Å; A513-A519 VanDerWaalsContact O-CA 3.25Å; A513-A519 WeakPolarHBondContact O-CA 3.32Å; A513-T520 HydrophobicContact CB-CG2 4.02Å; A513-T520 PolarHBondContact N-O 2.99Å; A513-T520 PolarHBondContact O-N 2.67Å; A513-R560 CarbonylContact C-O 3.51Å; A513-R560 VanDerWaalsContact CA-O 3.3Å; A513-R560 WeakPolarHBondContact CA-O 3.26Å; A513-I561 HydrophobicContact CB-CG1 4.33Å
514	R	94.7	Very high	94.9	Very high	162 Å²	162	65.9 Å²	65.9	61%	0.611	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	131	179.3	63.3	-177.6	176.9	-154.3	-6.1	113.1	K518 A519 K559 R560	R514-K518 CarbonylContact C-O 3.47Å; R514-K518 WeakPolarHBondContact CA-O 3.28Å; R514-A519 HydrophobicContact CB-CB 4.23Å; R514-K559 PolarHBondContact NE-O 3.11Å; R514-K559 PolarHBondContact NH2-O 3.37Å; R514-R560 PolarHBondContact N-O 2.89Å; R514-R560 WeakPolarHBondContact O-CG 3.43Å
515	L	92.1	Very high	94.8	Very high	42 Å²	42	66.8 Å²	66.8	22%	0.22	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	134.6	176.4	-178.2	66.9	0	0	0	110	I493 G517 K518	I493-L515 HydrophobicContact CB-CB 4.29Å; I493-L515 HydrophobicContact CG1-CB 4.05Å; L515-G517 VanDerWaalsContact C-N 3.28Å; L515-G517 PolarHBondContact O-N 2.95Å; L515-K518 PolarHBondContact N-O 2.83Å; L515-K518 WeakPolarHBondContact O-CB 3.03Å; L515-K518 PolarHBondContact O-N 2.62Å
516	N	91.5	Very high	94.8	Very high	152 Å²	152	69 Å²	69	81%	0.813	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	45.1	175.7	-60	-16.1	0	0	0	113.7	K518	N516-K518 PolarHBondContact O-N 3.02Å
517	G	90.5	Very high	94.8	Very high	87 Å²	87	67 Å²	67	90%	0.897	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-9.8	-179.7	0	0	0	0	0	115.5	L515	L515-G517 VanDerWaalsContact C-N 3.28Å; L515-G517 PolarHBondContact O-N 2.95Å
518	K	92.5	Very high	94.7	Very high	162 Å²	162	66.7 Å²	66.7	70%	0.704	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	139.6	172.2	-60.8	-177.3	-179.7	-178.4	0	109.8	I493 R514 L515 N516	I493-K518 HydrophobicContact CD1-CB 4.37Å; R514-K518 CarbonylContact C-O 3.47Å; R514-K518 WeakPolarHBondContact CA-O 3.28Å; L515-K518 PolarHBondContact N-O 2.83Å; L515-K518 WeakPolarHBondContact O-CB 3.03Å; L515-K518 PolarHBondContact O-N 2.62Å; N516-K518 PolarHBondContact O-N 3.02Å
519	A	94	Very high	94.7	Very high	85 Å²	85	61.9 Å²	61.9	70%	0.702	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	149.1	174.1	0	0	0	0	0	110.4	A513 R514	A513-A519 CarbonylContact O-C 3.56Å; A513-A519 VanDerWaalsContact O-CA 3.25Å; A513-A519 WeakPolarHBondContact O-CA 3.32Å; R514-A519 HydrophobicContact CB-CB 4.23Å
520	T	94.2	Very high	94.8	Very high	37 Å²	37	59.2 Å²	59.2	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.9	176.2	-176	0	0	0	0	110.8	I493 F494 K512 A513 D522	I493-T520 HydrophobicContact CD1-CG2 3.79Å; I493-T520 HydrophobicContact CG1-CG2 4.37Å; F494-T520 HydrophobicContact CE1-CG2 4.04Å; F494-T520 HydrophobicContact CE2-CG2 4.13Å; F494-T520 HydrophobicContact CZ-CG2 3.44Å; F494-T520 VanDerWaalsContact CZ-CG2 3.44Å; K512-T520 WeakPolarHBondContact CA-O 3.37Å; A513-T520 HydrophobicContact CB-CG2 4.02Å; A513-T520 PolarHBondContact N-O 2.99Å; A513-T520 PolarHBondContact O-N 2.67Å; T520-D522 PolarHBondContact OG1-N 2.98Å
521	Q	95.7	Very high	94.7	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	33%	0.329	S	S	.	.			trans	-142.6	42.4	165.8	-163.2	-179.4	0.3	0	0	108.3	A510 W511 K512 P523	A510-Q521 HydrophobicContact CB-CG 4.02Å; W511-Q521 WeakPolarHBondContact O-CA 3.44Å; K512-Q521 HydrophobicContact CG-CB 4.28Å; K512-Q521 HydrophobicContact CG-CG 3.75Å; Q521-P523 WeakPolarHBondContact O-CD 3.44Å
522	D	94.6	Very high	94.6	Very high	39 Å²	39	63.3 Å²	63.3	21%	0.209	34%	0.337	C	S	.	.			trans	-67.5	118.4	-174.5	-170	-25.6	0	0	0	110.9	T520 R524 I525	T520-D522 PolarHBondContact OG1-N 2.98Å; D522-R524 PolarHBondContact O-N 3.19Å; D522-R524 VanDerWaalsContact OD1-CB 3.26Å; D522-R524 WeakPolarHBondContact OD1-CB 3.39Å; D522-R524 WeakPolarHBondContact OD1-CG 3.17Å; D522-R524 IonicContact OD1-CZ 3.94Å; D522-R524 PolarHBondContact OD1-N 2.95Å; D522-R524 IonicContact OD1-NE 3.03Å; D522-R524 PolarHBondContact OD1-NE 2.96Å; D522-R524 IonicContact OD1-NH2 3.95Å; D522-R524 IonicContact OD2-CZ 3.34Å; D522-R524 IonicContact OD2-NE 3.17Å; D522-R524 PolarHBondContact OD2-NE 2.02Å; D522-R524 VanDerWaalsContact OD2-NE 3.17Å; D522-R524 IonicContact OD2-NH2 2.7Å; D522-R524 PolarHBondContact OD2-NH2 3.37Å; D522-I525 HydrophobicContact CB-CD1 4.01Å; D522-I525 HydrophobicContact CB-CG1 4.11Å; D522-I525 PolarHBondContact O-N 3.03Å; D522-I525 VanDerWaalsContact O-N 3.16Å
523	P	94.8	Very high	94.5	Very high	92 Å²	92	60.2 Å²	60.2	60%	0.597	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.7	-178.7	30.2	-37.1	0	0	0	114.2	A510 Q521 I525 K526	A510-P523 HydrophobicContact CB-CB 4.37Å; Q521-P523 WeakPolarHBondContact O-CD 3.44Å; P523-I525 VanDerWaalsContact C-N 3.27Å; P523-K526 WeakPolarHBondContact O-CE 3.26Å
524	R	94.4	Very high	94.3	Very high	74 Å²	74	62.6 Å²	62.6	28%	0.279	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20	175	-60.2	174.5	-66.8	172.8	3	112.2	S417 L418 D522 K526	S417-R524 CarbonylContact C-O 3.59Å; S417-R524 VanDerWaalsContact CA-O 3.28Å; S417-R524 WeakPolarHBondContact CA-O 3.39Å; L418-R524 PolarHBondContact N-O 3.16Å; D522-R524 PolarHBondContact O-N 3.19Å; D522-R524 VanDerWaalsContact OD1-CB 3.26Å; D522-R524 WeakPolarHBondContact OD1-CB 3.39Å; D522-R524 WeakPolarHBondContact OD1-CG 3.17Å; D522-R524 IonicContact OD1-CZ 3.94Å; D522-R524 PolarHBondContact OD1-N 2.95Å; D522-R524 IonicContact OD1-NE 3.03Å; D522-R524 PolarHBondContact OD1-NE 2.96Å; D522-R524 IonicContact OD1-NH2 3.95Å; D522-R524 IonicContact OD2-CZ 3.34Å; D522-R524 IonicContact OD2-NE 3.17Å; D522-R524 PolarHBondContact OD2-NE 2.02Å; D522-R524 VanDerWaalsContact OD2-NE 3.17Å; D522-R524 IonicContact OD2-NH2 2.7Å; D522-R524 PolarHBondContact OD2-NH2 3.37Å; R524-K526 PolarHBondContact O-N 2.82Å
525	I	94.3	Very high	94	Very high	20 Å²	20	59 Å²	59	10%	0.103	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-87.3	100.5	179.1	-56.2	179.2	0	0	0	107.8	L418 F494 H507 D522 P523 T528	L418-I525 HydrophobicContact CD1-CG1 4.18Å; L418-I525 HydrophobicContact CD1-CG2 4.36Å; F494-I525 HydrophobicContact CE1-CG2 4.22Å; F494-I525 HydrophobicContact CE2-CD1 3.5Å; F494-I525 VanDerWaalsContact CE2-CD1 3.5Å; F494-I525 HydrophobicContact CE2-CG2 4.02Å; F494-I525 HydrophobicContact CZ-CB 4.29Å; F494-I525 HydrophobicContact CZ-CD1 3.44Å; F494-I525 VanDerWaalsContact CZ-CD1 3.44Å; F494-I525 HydrophobicContact CZ-CG1 4.44Å; F494-I525 HydrophobicContact CZ-CG2 3.82Å; H507-I525 PolarHBondContact ND1-O 2.8Å; D522-I525 HydrophobicContact CB-CD1 4.01Å; D522-I525 HydrophobicContact CB-CG1 4.11Å; D522-I525 PolarHBondContact O-N 3.03Å; D522-I525 VanDerWaalsContact O-N 3.16Å; P523-I525 VanDerWaalsContact C-N 3.27Å; I525-T528 HydrophobicContact CG2-CG2 4.33Å
526	K	95.8	Very high	93.7	Very high	47 Å²	47	60.2 Å²	60.2	20%	0.204	37%	0.365	C	S	.	.			trans	-115.3	2.4	-176.5	-45.5	-176.7	178.4	-166.3	0	113.3	E414 L418 T506 H507 P523 R524	E414-K526 IonicContact OE1-NZ 3.59Å; E414-K526 PolarHBondContact OE1-NZ 3.33Å; E414-K526 WeakPolarHBondContact OE2-CE 3.35Å; E414-K526 IonicContact OE2-NZ 3.6Å; E414-K526 PolarHBondContact OE2-NZ 3.15Å; L418-K526 CarbonylContact O-C 3.51Å; L418-K526 VanDerWaalsContact O-CA 3.26Å; L418-K526 WeakPolarHBondContact O-CA 3.44Å; L418-K526 WeakPolarHBondContact O-CB 3.39Å; L418-K526 PolarHBondContact O-N 2.88Å; T506-K526 CarbonylContact C-O 3.56Å; T506-K526 WeakPolarHBondContact CA-O 3.4Å; H507-K526 PolarHBondContact N-O 3.14Å; P523-K526 WeakPolarHBondContact O-CE 3.26Å; R524-K526 PolarHBondContact O-N 2.82Å
527	A	96.2	Very high	93.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	140.1	-173	0	0	0	0	0	111.7	L418 C420 F426 I505	L418-A527 WeakPolarHBondContact O-CB 3.44Å; L418-A527 PolarHBondContact O-N 2.93Å; C420-A527 HydrophobicContact CB-CB 4.43Å; C420-A527 VanDerWaalsContact N-CB 3.33Å; F426-A527 HydrophobicContact CB-CB 4.1Å; I505-A527 WeakPolarHBondContact O-CA 3.15Å
528	T	95.1	Very high	93.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	153.2	176.3	51.9	0	0	0	0	111.1	F494 Q496 I505 H507 I525 H530	F494-T528 HydrophobicContact CB-CG2 3.89Å; F494-T528 HydrophobicContact CD1-CG2 4.47Å; F494-T528 HydrophobicContact CD2-CG2 4.29Å; F494-T528 HydrophobicContact CG-CG2 3.96Å; Q496-T528 HydrophobicContact CG-CG2 4.26Å; I505-T528 PolarHBondContact N-O 3.12Å; I505-T528 PolarHBondContact O-N 2.99Å; H507-T528 PolarHBondContact NE2-OG1 3.36Å; I525-T528 HydrophobicContact CG2-CG2 4.33Å; T528-H530 PolarHBondContact O-CD2 3.2Å; T528-H530 PolarHBondContact OG1-CD2 2.72Å; T528-H530 VanDerWaalsContact OG1-CD2 3.27Å; T528-H530 PolarHBondContact OG1-NE2 2.88Å
529	C	95.8	Very high	93.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.5	178.2	-67	0	0	0	0	112.9	F426 C479 Q496 A497 F498 V503	F426-C529 WeakPolarHBondContact CD1-SG 3.34Å; C479-C529 WeakPolarHBondContact CA-SG 3.43Å; C479-C529 HydrophobicContact CB-CB 3.64Å; C479-C529 WeakPolarHBondContact CB-SG 2.92Å; C479-C529 VanDerWaalsContact SG-CA 3.55Å; C479-C529 WeakPolarHBondContact SG-CB 3.36Å; C479-C529 CovalentContact SG-SG 2.03Å; C479-C529 PolarHBondContact SG-SG 3.31Å; Q496-C529 WeakPolarHBondContact CA-O 2.97Å; Q496-C529 VanDerWaalsContact CB-O 3.27Å; Q496-C529 WeakPolarHBondContact CB-O 3.42Å; A497-C529 PolarHBondContact N-O 3.12Å; A497-C529 VanDerWaalsContact N-O 3.1Å; A497-C529 CarbonylContact O-C 3.55Å; F498-C529 HydrophobicContact CD1-CB 4.07Å; F498-C529 HydrophobicContact CE1-CB 3.72Å; F498-C529 VanDerWaalsContact CE1-SG 3.53Å; F498-C529 HydrophobicContact CZ-CB 4.01Å; V503-C529 WeakPolarHBondContact O-CA 3Å
530	H	96.3	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	155	176.7	-66.4	-72.5	0	0	0	111.9	F494 S502 V503 I505 W511 T528 I542	F494-H530 PolarHBondContact O-CE1 2.99Å; F494-H530 VanDerWaalsContact O-CE1 3.22Å; S502-H530 CarbonylContact C-O 3.32Å; S502-H530 VanDerWaalsContact CA-O 3.22Å; S502-H530 WeakPolarHBondContact CA-O 3.39Å; V503-H530 PolarHBondContact N-O 2.74Å; V503-H530 PolarHBondContact O-N 3.22Å; I505-H530 HydrophobicContact CG1-CB 3.85Å; W511-H530 AromaticContact CH2-NE2 3.99Å; W511-H530 AromaticContact CZ3-NE2 3.73Å; T528-H530 PolarHBondContact O-CD2 3.2Å; T528-H530 PolarHBondContact OG1-CD2 2.72Å; T528-H530 VanDerWaalsContact OG1-CD2 3.27Å; T528-H530 PolarHBondContact OG1-NE2 2.88Å; H530-I542 HydrophobicContact CB-CG1 4.15Å; H530-I542 WeakPolarHBondContact ND1-CG1 3.22Å
531	Q	95.7	Very high	94.1	Very high	77 Å²	77	41.6 Å²	41.6	36%	0.36	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	156	172.4	-78.9	176	-6.5	0	0	111.1	A497 N501 S502 I541	A497-Q531 HydrophobicContact CB-CG 3.85Å; N501-Q531 CarbonylContact O-C 3.5Å; N501-Q531 VanDerWaalsContact O-CA 3.25Å; N501-Q531 WeakPolarHBondContact O-CA 3.2Å; S502-Q531 WeakPolarHBondContact OG-CG 3.3Å; Q531-I541 HydrophobicContact CB-CB 3.92Å; Q531-I541 HydrophobicContact CB-CD1 4.19Å; Q531-I541 PolarHBondContact O-N 2.79Å
532	Y	94.8	Very high	94.1	Very high	44 Å²	44	36.4 Å²	36.4	17%	0.173	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.5	171.2	73.2	-85.5	0	0	0	111.3	N501 V503 Q539 V573	N501-Y532 HydrophobicContact CB-CE1 4.46Å; N501-Y532 WeakPolarHBondContact O-CD1 3.34Å; N501-Y532 WeakPolarHBondContact O-CE1 3.5Å; N501-Y532 PolarHBondContact O-N 2.83Å; V503-Y532 HydrophobicContact CB-CD1 4.44Å; V503-Y532 HydrophobicContact CG1-CD1 3.84Å; V503-Y532 HydrophobicContact CG1-CE1 3.69Å; V503-Y532 HydrophobicContact CG2-CD1 3.85Å; V503-Y532 HydrophobicContact CG2-CG 4.49Å; Y532-Q539 CarbonylContact C-O 3.49Å; Y532-Q539 WeakPolarHBondContact CA-O 3.4Å; Y532-Q539 WeakPolarHBondContact CB-O 3.37Å; Y532-V573 HydrophobicContact CD2-CB 3.92Å; Y532-V573 HydrophobicContact CD2-CG2 4.13Å; Y532-V573 HydrophobicContact CE1-CB 4.32Å; Y532-V573 HydrophobicContact CE1-CG1 4.37Å; Y532-V573 HydrophobicContact CE2-CB 3.54Å; Y532-V573 HydrophobicContact CE2-CG1 4.42Å; Y532-V573 HydrophobicContact CE2-CG2 4.15Å; Y532-V573 VanDerWaalsContact CE2-O 3.23Å; Y532-V573 WeakPolarHBondContact CE2-O 3.47Å; Y532-V573 HydrophobicContact CG-CB 4.46Å; Y532-V573 PolarHBondContact OH-O 2.83Å
533	S	94.6	Very high	94	Very high	29 Å²	29	36.7 Å²	36.7	20%	0.203	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148	171.4	178.7	0	0	0	0	110.1	S535 V538 Q539	S533-S535 PolarHBondContact OG-N 2.91Å; S533-S535 PolarHBondContact OG-OG 3.06Å; S533-V538 CarbonylContact O-C 3.57Å; S533-V538 WeakPolarHBondContact O-CA 3.21Å; S533-Q539 PolarHBondContact N-O 2.69Å; S533-Q539 PolarHBondContact O-N 2.95Å
534	C	92.4	Very high	93.9	Very high	53 Å²	53	35.8 Å²	35.8	36%	0.358	23%	0.232	S	C	.	.			trans	-104.2	1.3	174.9	-57.6	0	0	0	0	112.3	G536 G537 C574	C534-G536 PolarHBondContact O-N 2.71Å; C534-G536 VanDerWaalsContact O-N 3.13Å; C534-G537 CarbonylContact C-O 3.58Å; C534-G537 VanDerWaalsContact C-O 3.23Å; C534-G537 WeakPolarHBondContact CA-O 3.48Å; C534-G537 PolarHBondContact O-N 2.78Å; C534-C574 HydrophobicContact CB-CB 3.82Å; C534-C574 WeakPolarHBondContact CB-SG 3.36Å; C534-C574 WeakPolarHBondContact SG-CA 3.4Å; C534-C574 WeakPolarHBondContact SG-CB 3.18Å; C534-C574 CovalentContact SG-SG 2.03Å; C534-C574 PolarHBondContact SG-SG 3.22Å
535	S	88.3	Confident	94	Very high	88 Å²	88	37.3 Å²	37.3	62%	0.615	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	110.3	179.7	-58	0	0	0	0	110.4	S533 Q539	S533-S535 PolarHBondContact OG-N 2.91Å; S533-S535 PolarHBondContact OG-OG 3.06Å; S535-Q539 PolarHBondContact O-NE2 3.37Å
536	G	85.7	Confident	94.1	Very high	67 Å²	67	39.7 Å²	39.7	69%	0.691	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	25.5	-179.7	0	0	0	0	0	114.3	C534	C534-G536 PolarHBondContact O-N 2.71Å; C534-G536 VanDerWaalsContact O-N 3.13Å
537	G	89.1	Confident	94.1	Very high	39 Å²	39	38.8 Å²	38.8	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	108.9	173.5	-173.9	0	0	0	0	0	111.9	C534 Q539	C534-G537 CarbonylContact C-O 3.58Å; C534-G537 VanDerWaalsContact C-O 3.23Å; C534-G537 WeakPolarHBondContact CA-O 3.48Å; C534-G537 PolarHBondContact O-N 2.78Å; G537-Q539 PolarHBondContact O-N 2.97Å
538	V	93.6	Very high	94.1	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.091	28%	0.283	C	S	.	.			trans	-68.4	127.7	177.3	-177.1	0	0	0	0	109.3	S533 C549 P568 P570 V573	S533-V538 CarbonylContact O-C 3.57Å; S533-V538 WeakPolarHBondContact O-CA 3.21Å; V538-C549 HydrophobicContact CB-CB 4.2Å; V538-C549 HydrophobicContact CG1-CB 4.41Å; V538-C549 VanDerWaalsContact O-CB 3.22Å; V538-C549 WeakPolarHBondContact O-CB 3.47Å; V538-C549 PolarHBondContact O-N 2.78Å; V538-C549 PolarHBondContact O-SG 3.12Å; V538-P568 HydrophobicContact CG1-CG 3.97Å; V538-P570 HydrophobicContact CG2-CB 3.77Å; V538-P570 HydrophobicContact CG2-CG 3.65Å; V538-V573 HydrophobicContact CG1-CG2 4.47Å; V538-V573 HydrophobicContact CG2-CG2 4.44Å
539	Q	95.9	Very high	94.1	Very high	45 Å²	45	47.3 Å²	47.3	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.2	172	-50.8	-173.8	29.3	0	0	108.9	Y532 S533 S535 G537 S546 F547	Y532-Q539 CarbonylContact C-O 3.49Å; Y532-Q539 WeakPolarHBondContact CA-O 3.4Å; Y532-Q539 WeakPolarHBondContact CB-O 3.37Å; S533-Q539 PolarHBondContact N-O 2.69Å; S533-Q539 PolarHBondContact O-N 2.95Å; S535-Q539 PolarHBondContact O-NE2 3.37Å; G537-Q539 PolarHBondContact O-N 2.97Å; Q539-S546 VanDerWaalsContact OE1-CB 3.23Å; Q539-F547 CarbonylContact C-O 3.47Å; Q539-F547 VanDerWaalsContact CA-O 3.23Å; Q539-F547 WeakPolarHBondContact CA-O 3.36Å
540	V	96.3	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.6	169.8	-63.2	0	0	0	0	109	I505 I542 F547 A554 I556 A565	I505-V540 HydrophobicContact CD1-CG1 3.7Å; I505-V540 HydrophobicContact CG1-CG1 4.35Å; V540-I542 HydrophobicContact CB-CD1 4.38Å; V540-I542 HydrophobicContact CG2-CD1 3.82Å; V540-I542 HydrophobicContact CG2-CG1 4.48Å; V540-F547 HydrophobicContact CG2-CB 4.03Å; V540-F547 PolarHBondContact N-O 3.43Å; V540-F547 PolarHBondContact O-N 3.29Å; V540-A554 HydrophobicContact CG2-CB 3.68Å; V540-I556 HydrophobicContact CG2-CD1 4.03Å; V540-A565 HydrophobicContact CG2-CB 4.42Å
541	I	96.1	Very high	93.7	Very high	32 Å²	32	60.3 Å²	60.3	16%	0.164	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108.3	-178.4	-56.9	169.9	0	0	0	107.7	Q531 K545	Q531-I541 HydrophobicContact CB-CB 3.92Å; Q531-I541 HydrophobicContact CB-CD1 4.19Å; Q531-I541 PolarHBondContact O-N 2.79Å; I541-K545 CarbonylContact C-O 3.58Å; I541-K545 VanDerWaalsContact CA-O 3.3Å; I541-K545 WeakPolarHBondContact CA-O 3.39Å
542	I	95.3	Very high	93.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.7	-175.4	-65.1	159.8	0	0	0	108.1	W511 H530 V540 G544 K545 F547 I556 I561	W511-I542 HydrophobicContact CH2-CD1 3.59Å; W511-I542 HydrophobicContact CH2-CG1 4.44Å; W511-I542 HydrophobicContact CZ2-CD1 4.45Å; W511-I542 HydrophobicContact CZ3-CD1 4.15Å; W511-I542 HydrophobicContact CZ3-CG2 4.35Å; H530-I542 HydrophobicContact CB-CG1 4.15Å; H530-I542 WeakPolarHBondContact ND1-CG1 3.22Å; V540-I542 HydrophobicContact CB-CD1 4.38Å; V540-I542 HydrophobicContact CG2-CD1 3.82Å; V540-I542 HydrophobicContact CG2-CG1 4.48Å; I542-G544 PolarHBondContact O-N 2.95Å; I542-K545 PolarHBondContact N-O 3.47Å; I542-K545 PolarHBondContact O-N 3.16Å; I542-F547 HydrophobicContact CB-CD2 4.19Å; I542-F547 HydrophobicContact CB-CE2 4.01Å; I542-I556 HydrophobicContact CB-CG2 4.32Å; I542-I556 HydrophobicContact CD1-CB 4.48Å; I542-I556 HydrophobicContact CD1-CD1 3.43Å; I542-I556 VanDerWaalsContact CD1-CD1 3.43Å; I542-I556 HydrophobicContact CD1-CG1 3.65Å; I542-I556 HydrophobicContact CD1-CG2 4.01Å; I542-I556 HydrophobicContact CG2-CG2 3.99Å; I542-I561 HydrophobicContact CG2-CD1 3.61Å
543	D	93.3	Very high	93.6	Very high	45 Å²	45	58 Å²	58	24%	0.241	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	37.1	-176.8	-161.7	28.4	0	0	0	112.2	G495 K545 T558 R560 I561	G495-D543 PolarHBondContact O-N 2.78Å; D543-K545 PolarHBondContact O-N 2.8Å; D543-T558 HydrophobicContact CB-CG2 3.79Å; D543-T558 WeakPolarHBondContact OD2-CB 3.19Å; D543-T558 PolarHBondContact OD2-OG1 2.81Å; D543-R560 IonicContact OD1-CZ 3.13Å; D543-R560 IonicContact OD1-NE 3.01Å; D543-R560 PolarHBondContact OD1-NE 2.89Å; D543-R560 IonicContact OD1-NH2 2.75Å; D543-R560 PolarHBondContact OD1-NH2 3.36Å; D543-R560 WeakPolarHBondContact OD2-CB 3.06Å; D543-R560 IonicContact OD2-NE 3.5Å; D543-I561 HydrophobicContact CB-CD1 4.26Å
544	G	92.4	Very high	93.8	Very high	72 Å²	72	56.6 Å²	56.6	74%	0.742	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	5.3	-178.6	0	0	0	0	0	115.5	I542	I542-G544 PolarHBondContact O-N 2.95Å
545	K	96.2	Very high	94	Very high	107 Å²	107	61.8 Å²	61.8	47%	0.465	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.1	178.1	-67.1	-171.6	177.5	-169.5	0	111.2	I541 I542 D543 F547 T558	I541-K545 CarbonylContact C-O 3.58Å; I541-K545 VanDerWaalsContact CA-O 3.3Å; I541-K545 WeakPolarHBondContact CA-O 3.39Å; I542-K545 PolarHBondContact N-O 3.47Å; I542-K545 PolarHBondContact O-N 3.16Å; D543-K545 PolarHBondContact O-N 2.8Å; K545-F547 HydrophobicContact CB-CE2 3.7Å; K545-F547 HydrophobicContact CB-CZ 3.89Å; K545-F547 HydrophobicContact CD-CZ 4.45Å; K545-F547 WeakPolarHBondContact O-CD2 3.46Å; K545-F547 VanDerWaalsContact O-CE2 3.26Å; K545-F547 WeakPolarHBondContact O-CE2 3.06Å; K545-T558 HydrophobicContact CD-CG2 4.42Å
546	S	96.5	Very high	94.5	Very high	70 Å²	70	57.8 Å²	57.8	49%	0.49	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	133.4	175	-50.4	0	0	0	0	111.5	Q539	Q539-S546 VanDerWaalsContact OE1-CB 3.23Å
547	F	97.2	Very high	95	Very high	28 Å²	28	60.8 Å²	60.8	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123	175.2	-60.7	-86.5	0	0	0	108.8	Q539 V540 I542 K545 A554 K555 I556 T558	Q539-F547 CarbonylContact C-O 3.47Å; Q539-F547 VanDerWaalsContact CA-O 3.23Å; Q539-F547 WeakPolarHBondContact CA-O 3.36Å; V540-F547 HydrophobicContact CG2-CB 4.03Å; V540-F547 PolarHBondContact N-O 3.43Å; V540-F547 PolarHBondContact O-N 3.29Å; I542-F547 HydrophobicContact CB-CD2 4.19Å; I542-F547 HydrophobicContact CB-CE2 4.01Å; K545-F547 HydrophobicContact CB-CE2 3.7Å; K545-F547 HydrophobicContact CB-CZ 3.89Å; K545-F547 HydrophobicContact CD-CZ 4.45Å; K545-F547 WeakPolarHBondContact O-CD2 3.46Å; K545-F547 VanDerWaalsContact O-CE2 3.26Å; K545-F547 WeakPolarHBondContact O-CE2 3.06Å; F547-A554 HydrophobicContact CB-CB 4.09Å; F547-K555 WeakPolarHBondContact CD1-O 3.47Å; F547-I556 HydrophobicContact CB-CD1 3.67Å; F547-I556 HydrophobicContact CD1-CD1 4.06Å; F547-I556 HydrophobicContact CD2-CD1 3.76Å; F547-I556 HydrophobicContact CD2-CG2 4.43Å; F547-I556 HydrophobicContact CE2-CD1 4.43Å; F547-I556 HydrophobicContact CE2-CG2 4.02Å; F547-I556 HydrophobicContact CG-CD1 3.55Å; F547-I556 HydrophobicContact CZ-CG2 4.06Å; F547-T558 HydrophobicContact CE2-CG2 4Å; F547-T558 HydrophobicContact CZ-CG2 3.66Å
548	R	95.9	Very high	95.4	Very high	157 Å²	157	59.2 Å²	59.2	59%	0.592	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.3	179.3	-173.6	177.7	179.2	154.4	3.4	110.5	D550 A554	R548-D550 IonicContact NE-OD1 3.54Å; R548-A554 WeakPolarHBondContact O-CB 2.93Å
549	C	95.2	Very high	95.3	Very high	25 Å²	25	67 Å²	67	17%	0.169	35%	0.353	C	S	.	.			trans	-84.5	112.8	170.4	-67.9	0	0	0	0	110.5	V538 C567	V538-C549 HydrophobicContact CB-CB 4.2Å; V538-C549 HydrophobicContact CG1-CB 4.41Å; V538-C549 VanDerWaalsContact O-CB 3.22Å; V538-C549 WeakPolarHBondContact O-CB 3.47Å; V538-C549 PolarHBondContact O-N 2.78Å; V538-C549 PolarHBondContact O-SG 3.12Å; C549-C567 VanDerWaalsContact CA-SG 3.53Å; C549-C567 HydrophobicContact CB-CB 3.62Å; C549-C567 WeakPolarHBondContact CB-SG 3.13Å; C549-C567 WeakPolarHBondContact SG-CB 3.29Å; C549-C567 CovalentContact SG-SG 2.02Å; C549-C567 PolarHBondContact SG-SG 3.39Å
550	D	91.9	Very high	95.2	Very high	98 Å²	98	67.4 Å²	67.4	52%	0.524	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-112.3	123.3	175.1	-63.8	-40.1	0	0	0	108.9	R548 G552 V553	R548-D550 IonicContact NE-OD1 3.54Å; D550-G552 PolarHBondContact O-N 2.89Å; D550-G552 VanDerWaalsContact O-N 3.14Å; D550-V553 PolarHBondContact N-O 3.46Å; D550-V553 PolarHBondContact O-N 2.8Å
551	N	91.3	Very high	95.2	Very high	176 Å²	176	67.5 Å²	67.5	94%	0.941	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	38.8	-177.3	-61.8	-31	0	0	0	113.8	V553	N551-V553 VanDerWaalsContact C-N 3.3Å; N551-V553 PolarHBondContact O-N 2.94Å
552	G	92.6	Very high	95.3	Very high	40 Å²	40	70.5 Å²	70.5	41%	0.412	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	5.2	179.2	0	0	0	0	0	115.2	D550 C567	D550-G552 PolarHBondContact O-N 2.89Å; D550-G552 VanDerWaalsContact O-N 3.14Å; G552-C567 WeakPolarHBondContact O-CB 3.42Å; G552-C567 PolarHBondContact O-N 2.78Å
553	V	97	Very high	95.4	Very high	32 Å²	32	71.4 Å²	71.4	19%	0.194	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	178.5	179.7	0	0	0	0	110.6	K508 D550 N551 E564 A565	K508-V553 HydrophobicContact CD-CG1 4.24Å; K508-V553 HydrophobicContact CD-CG2 4.12Å; D550-V553 PolarHBondContact N-O 3.46Å; D550-V553 PolarHBondContact O-N 2.8Å; N551-V553 VanDerWaalsContact C-N 3.3Å; N551-V553 PolarHBondContact O-N 2.94Å; V553-E564 HydrophobicContact CG1-CB 4Å; V553-E564 HydrophobicContact CG1-CG 4.4Å; V553-A565 CarbonylContact C-O 3.58Å; V553-A565 VanDerWaalsContact CA-O 3.26Å; V553-A565 WeakPolarHBondContact CA-O 3.27Å
554	A	97.4	Very high	95.7	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.8	168.3	0	0	0	0	0	110	V540 F547 R548 I556 E564 A565	V540-A554 HydrophobicContact CG2-CB 3.68Å; F547-A554 HydrophobicContact CB-CB 4.09Å; R548-A554 WeakPolarHBondContact O-CB 2.93Å; A554-I556 HydrophobicContact CB-CD1 3.87Å; A554-E564 WeakPolarHBondContact O-CA 3.37Å; A554-A565 HydrophobicContact CB-CB 4.31Å; A554-A565 PolarHBondContact N-O 3.49Å; A554-A565 PolarHBondContact O-N 2.73Å
555	K	97.8	Very high	95.9	Very high	161 Å²	161	68.5 Å²	68.5	70%	0.7	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	119	175.1	-69.2	-175.8	178.6	-179.9	0	109.7	F547 E564	F547-K555 WeakPolarHBondContact CD1-O 3.47Å; K555-E564 HydrophobicContact CG-CG 4.39Å
556	I	97.8	Very high	95.9	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.2	-170.3	-48.6	-49.7	0	0	0	109.3	W511 V540 I542 F547 A554 T558 I561 E562 G563 A565	W511-I556 HydrophobicContact CH2-CG1 4.44Å; W511-I556 HydrophobicContact CZ2-CG1 4.27Å; V540-I556 HydrophobicContact CG2-CD1 4.03Å; I542-I556 HydrophobicContact CB-CG2 4.32Å; I542-I556 HydrophobicContact CD1-CB 4.48Å; I542-I556 HydrophobicContact CD1-CD1 3.43Å; I542-I556 VanDerWaalsContact CD1-CD1 3.43Å; I542-I556 HydrophobicContact CD1-CG1 3.65Å; I542-I556 HydrophobicContact CD1-CG2 4.01Å; I542-I556 HydrophobicContact CG2-CG2 3.99Å; F547-I556 HydrophobicContact CB-CD1 3.67Å; F547-I556 HydrophobicContact CD1-CD1 4.06Å; F547-I556 HydrophobicContact CD2-CD1 3.76Å; F547-I556 HydrophobicContact CD2-CG2 4.43Å; F547-I556 HydrophobicContact CE2-CD1 4.43Å; F547-I556 HydrophobicContact CE2-CG2 4.02Å; F547-I556 HydrophobicContact CG-CD1 3.55Å; F547-I556 HydrophobicContact CZ-CG2 4.06Å; A554-I556 HydrophobicContact CB-CD1 3.87Å; I556-T558 HydrophobicContact CG2-CG2 4.41Å; I556-I561 HydrophobicContact CG2-CB 4.49Å; I556-I561 HydrophobicContact CG2-CG2 3.9Å; I556-E562 WeakPolarHBondContact O-CA 3.3Å; I556-G563 WeakPolarHBondContact CA-O 3.45Å; I556-G563 WeakPolarHBondContact CB-O 3.43Å; I556-G563 PolarHBondContact N-O 2.8Å; I556-G563 PolarHBondContact O-N 2.75Å; I556-A565 HydrophobicContact CD1-CB 4.24Å; I556-A565 HydrophobicContact CG1-CB 4.19Å
557	H	97.3	Very high	95.8	Very high	130 Å²	130	64.7 Å²	64.7	60%	0.602	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	106.9	174	-166.9	76.1	0	0	0	110.7	I561	H557-I561 CarbonylContact C-O 3.51Å; H557-I561 WeakPolarHBondContact CA-O 3.46Å
558	T	95.9	Very high	95.5	Very high	6 Å²	6	63.6 Å²	63.6	4%	0.037	32%	0.316	C	S	.	.			trans	-122.3	176.9	174	92.2	0	0	0	0	109	D543 K545 F547 I556 R560 I561	D543-T558 HydrophobicContact CB-CG2 3.79Å; D543-T558 WeakPolarHBondContact OD2-CB 3.19Å; D543-T558 PolarHBondContact OD2-OG1 2.81Å; K545-T558 HydrophobicContact CD-CG2 4.42Å; F547-T558 HydrophobicContact CE2-CG2 4Å; F547-T558 HydrophobicContact CZ-CG2 3.66Å; I556-T558 HydrophobicContact CG2-CG2 4.41Å; T558-R560 PolarHBondContact O-N 2.87Å; T558-R560 WeakPolarHBondContact OG1-CB 3.08Å; T558-R560 PolarHBondContact OG1-N 3.17Å; T558-I561 HydrophobicContact CG2-CB 4.47Å; T558-I561 PolarHBondContact N-O 2.81Å; T558-I561 PolarHBondContact OG1-N 3.09Å
559	K	92.5	Very high	95.1	Very high	180 Å²	180	59.6 Å²	59.6	78%	0.783	31%	0.307	S	S	*	.	S	Bend	trans	-61.7	-26.2	171.4	-69.6	-176.9	177.7	-179.7	0	111.8	R514	R514-K559 PolarHBondContact NE-O 3.11Å; R514-K559 PolarHBondContact NH2-O 3.37Å
560	R	93.8	Very high	94.8	Very high	53 Å²	53	61.7 Å²	61.7	20%	0.2	32%	0.32	C	S	.	.	S	Bend	trans	-99	-38.2	-173.1	-165.7	-167	-51.9	-136.9	-2	112.8	N492 I493 A513 R514 D543 T558	N492-R560 PolarHBondContact O-NH1 3.11Å; I493-R560 WeakPolarHBondContact O-CD 2.95Å; A513-R560 CarbonylContact C-O 3.51Å; A513-R560 VanDerWaalsContact CA-O 3.3Å; A513-R560 WeakPolarHBondContact CA-O 3.26Å; R514-R560 PolarHBondContact N-O 2.89Å; R514-R560 WeakPolarHBondContact O-CG 3.43Å; D543-R560 IonicContact OD1-CZ 3.13Å; D543-R560 IonicContact OD1-NE 3.01Å; D543-R560 PolarHBondContact OD1-NE 2.89Å; D543-R560 IonicContact OD1-NH2 2.75Å; D543-R560 PolarHBondContact OD1-NH2 3.36Å; D543-R560 WeakPolarHBondContact OD2-CB 3.06Å; D543-R560 IonicContact OD2-NE 3.5Å; T558-R560 PolarHBondContact O-N 2.87Å; T558-R560 WeakPolarHBondContact OG1-CB 3.08Å; T558-R560 PolarHBondContact OG1-N 3.17Å
561	I	96.9	Very high	94.5	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137	-163.8	-60.2	160.5	0	0	0	111.2	F494 W511 K512 A513 I542 D543 I556 H557 T558	F494-I561 WeakPolarHBondContact O-CD1 3.5Å; W511-I561 HydrophobicContact CD2-CG2 4.27Å; W511-I561 HydrophobicContact CE3-CG2 3.64Å; W511-I561 HydrophobicContact CZ3-CG2 4.21Å; K512-I561 CarbonylContact O-C 3.52Å; K512-I561 VanDerWaalsContact O-CA 3.31Å; K512-I561 WeakPolarHBondContact O-CA 3.49Å; A513-I561 HydrophobicContact CB-CG1 4.33Å; I542-I561 HydrophobicContact CG2-CD1 3.61Å; D543-I561 HydrophobicContact CB-CD1 4.26Å; I556-I561 HydrophobicContact CG2-CB 4.49Å; I556-I561 HydrophobicContact CG2-CG2 3.9Å; H557-I561 CarbonylContact C-O 3.51Å; H557-I561 WeakPolarHBondContact CA-O 3.46Å; T558-I561 HydrophobicContact CG2-CB 4.47Å; T558-I561 PolarHBondContact N-O 2.81Å; T558-I561 PolarHBondContact OG1-N 3.09Å
562	E	98	Very high	94.1	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.5	170.5	-174	-168.6	162.4	0	0	109.5	K512 I556	K512-E562 HydrophobicContact CB-CB 4.31Å; K512-E562 PolarHBondContact N-O 2.68Å; K512-E562 PolarHBondContact O-N 2.84Å; I556-E562 WeakPolarHBondContact O-CA 3.3Å
563	G	97.6	Very high	93.8	Very high	19 Å²	19	57.2 Å²	57.2	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-169.7	-178.5	0	0	0	0	0	113.7	I556	I556-G563 WeakPolarHBondContact CA-O 3.45Å; I556-G563 WeakPolarHBondContact CB-O 3.43Å; I556-G563 PolarHBondContact N-O 2.8Å; I556-G563 PolarHBondContact O-N 2.75Å
564	E	98	Very high	93.3	Very high	56 Å²	56	57.1 Å²	57.1	26%	0.262	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.7	174.9	-67	-168.1	135.4	0	0	110.1	K508 W511 V553 A554 K555	K508-E564 HydrophobicContact CB-CB 3.9Å; K508-E564 WeakPolarHBondContact CB-O 3.38Å; K508-E564 HydrophobicContact CD-CB 4.22Å; K508-E564 WeakPolarHBondContact CD-OE2 3.42Å; K508-E564 WeakPolarHBondContact CE-OE2 3.49Å; K508-E564 HydrophobicContact CG-CB 4.42Å; K508-E564 PolarHBondContact N-O 2.93Å; K508-E564 IonicContact NZ-OE2 2.73Å; K508-E564 PolarHBondContact NZ-OE2 2.73Å; W511-E564 PolarHBondContact NE1-O 2.87Å; V553-E564 HydrophobicContact CG1-CB 4Å; V553-E564 HydrophobicContact CG1-CG 4.4Å; A554-E564 WeakPolarHBondContact O-CA 3.37Å; K555-E564 HydrophobicContact CG-CG 4.39Å
565	A	97.2	Very high	92.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.4	176.2	0	0	0	0	0	110.5	I505 W511 V540 V553 A554 I556 C567	I505-A565 HydrophobicContact CG2-CB 3.58Å; W511-A565 HydrophobicContact CH2-CB 4.37Å; W511-A565 HydrophobicContact CZ2-CB 3.79Å; V540-A565 HydrophobicContact CG2-CB 4.42Å; V553-A565 CarbonylContact C-O 3.58Å; V553-A565 VanDerWaalsContact CA-O 3.26Å; V553-A565 WeakPolarHBondContact CA-O 3.27Å; A554-A565 HydrophobicContact CB-CB 4.31Å; A554-A565 PolarHBondContact N-O 3.49Å; A554-A565 PolarHBondContact O-N 2.73Å; I556-A565 HydrophobicContact CD1-CB 4.24Å; I556-A565 HydrophobicContact CG1-CB 4.19Å; A565-C567 PolarHBondContact O-N 3.41Å
566	I	95.6	Very high	89.8	Confident	79 Å²	79	68.9 Å²	68.9	41%	0.405	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118	162.6	-54.6	-178.3	0	0	0	106.9	T506 K508	T506-I566 HydrophobicContact CG2-CD1 3.92Å; T506-I566 PolarHBondContact O-N 2.83Å; K508-I566 HydrophobicContact CB-CG1 3.94Å
567	C	94.4	Very high	87.1	Confident	17 Å²	17	81.8 Å²	81.8	12%	0.115	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-73.8	146.4	-175.1	-73.7	0	0	0	0	112.4	C549 G552 A565	C549-C567 VanDerWaalsContact CA-SG 3.53Å; C549-C567 HydrophobicContact CB-CB 3.62Å; C549-C567 WeakPolarHBondContact CB-SG 3.13Å; C549-C567 WeakPolarHBondContact SG-CB 3.29Å; C549-C567 CovalentContact SG-SG 2.02Å; C549-C567 PolarHBondContact SG-SG 3.39Å; G552-C567 WeakPolarHBondContact O-CB 3.42Å; G552-C567 PolarHBondContact O-N 2.78Å; A565-C567 PolarHBondContact O-N 3.41Å
568	P	91.6	Very high	86.6	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.032	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.1	174.5	29.4	-34.1	0	0	0	110.3	V503 I505 V538 P570 V573	V503-P568 HydrophobicContact CG2-CG 4.42Å; I505-P568 HydrophobicContact CD1-CG 4.3Å; V538-P568 HydrophobicContact CG1-CG 3.97Å; P568-P570 WeakPolarHBondContact O-CD 3.44Å; P568-V573 HydrophobicContact CB-CG1 3.66Å; P568-V573 HydrophobicContact CB-CG2 4.05Å; P568-V573 HydrophobicContact CG-CG1 4.08Å; P568-V573 HydrophobicContact CG-CG2 3.9Å
569	N	88.3	Confident	86.1	Confident	74 Å²	74	83.2 Å²	83.2	40%	0.396	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-62.9	126.2	176.2	-178.6	-12.3	0	0	0	109.8	N571 D572 V573	N569-N571 PolarHBondContact O-N 3.49Å; N569-N571 VanDerWaalsContact O-N 3.09Å; N569-N571 WeakPolarHBondContact OD1-CB 3.31Å; N569-N571 PolarHBondContact OD1-N 3.28Å; N569-D572 HydrophobicContact CB-CB 4.28Å; N569-D572 VanDerWaalsContact CB-OD2 3.3Å; N569-D572 WeakPolarHBondContact CB-OD2 3.02Å; N569-D572 PolarHBondContact O-N 2.8Å; N569-V573 WeakPolarHBondContact O-CG2 3.29Å; N569-V573 PolarHBondContact O-N 2.61Å
570	P	88.2	Confident	85.7	Confident	69 Å²	69	77.8 Å²	77.8	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-52.5	-33.3	177.2	-23	28.2	0	0	0	113.7	V538 P568 D572 C574	V538-P570 HydrophobicContact CG2-CB 3.77Å; V538-P570 HydrophobicContact CG2-CG 3.65Å; P568-P570 WeakPolarHBondContact O-CD 3.44Å; P570-D572 PolarHBondContact O-N 3.46Å; P570-C574 CarbonylContact O-C 3.54Å; P570-C574 WeakPolarHBondContact O-CA 3.32Å; P570-C574 VanDerWaalsContact O-CB 3.3Å; P570-C574 WeakPolarHBondContact O-CB 3.25Å; P570-C574 PolarHBondContact O-N 2.89Å
571	N	84.9	Confident	85.2	Confident	113 Å²	113	79.3 Å²	79.3	60%	0.604	38%	0.38	S	S	*	.	H	α-helix	trans	-70.8	-18	178.8	-68.4	-24.2	0	0	0	113.7	N569 R575	N569-N571 PolarHBondContact O-N 3.49Å; N569-N571 VanDerWaalsContact O-N 3.09Å; N569-N571 WeakPolarHBondContact OD1-CB 3.31Å; N569-N571 PolarHBondContact OD1-N 3.28Å; N571-R575 WeakPolarHBondContact O-CG 3.32Å; N571-R575 PolarHBondContact O-NE 2.69Å
572	D	83.1	Confident	84.5	Confident	88 Å²	88	84.1 Å²	84.1	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-94.2	-34.5	179.4	-62.5	-26.8	0	0	0	111	N569 P570	N569-D572 HydrophobicContact CB-CB 4.28Å; N569-D572 VanDerWaalsContact CB-OD2 3.3Å; N569-D572 WeakPolarHBondContact CB-OD2 3.02Å; N569-D572 PolarHBondContact O-N 2.8Å; P570-D572 PolarHBondContact O-N 3.46Å
573	V	87.1	Confident	83.6	Confident	18 Å²	18	83.4 Å²	83.4	11%	0.109	40%	0.401	C	S	.	.	H	α-helix	trans	-106.8	-26.5	-174.4	-64.4	0	0	0	0	115.5	V503 Y532 V538 P568 N569	V503-V573 HydrophobicContact CG1-CG1 4.05Å; Y532-V573 HydrophobicContact CD2-CB 3.92Å; Y532-V573 HydrophobicContact CD2-CG2 4.13Å; Y532-V573 HydrophobicContact CE1-CB 4.32Å; Y532-V573 HydrophobicContact CE1-CG1 4.37Å; Y532-V573 HydrophobicContact CE2-CB 3.54Å; Y532-V573 HydrophobicContact CE2-CG1 4.42Å; Y532-V573 HydrophobicContact CE2-CG2 4.15Å; Y532-V573 VanDerWaalsContact CE2-O 3.23Å; Y532-V573 WeakPolarHBondContact CE2-O 3.47Å; Y532-V573 HydrophobicContact CG-CB 4.46Å; Y532-V573 PolarHBondContact OH-O 2.83Å; V538-V573 HydrophobicContact CG1-CG2 4.47Å; V538-V573 HydrophobicContact CG2-CG2 4.44Å; P568-V573 HydrophobicContact CB-CG1 3.66Å; P568-V573 HydrophobicContact CB-CG2 4.05Å; P568-V573 HydrophobicContact CG-CG1 4.08Å; P568-V573 HydrophobicContact CG-CG2 3.9Å; N569-V573 WeakPolarHBondContact O-CG2 3.29Å; N569-V573 PolarHBondContact O-N 2.61Å
574	C	86.5	Confident	82.6	Confident	31 Å²	31	88 Å²	88	21%	0.209	42%	0.416	C	S	.	.			trans	-114.3	21.9	-173.5	-61.7	0	0	0	0	113.8	C534 P570 Y576	C534-C574 HydrophobicContact CB-CB 3.82Å; C534-C574 WeakPolarHBondContact CB-SG 3.36Å; C534-C574 WeakPolarHBondContact SG-CA 3.4Å; C534-C574 WeakPolarHBondContact SG-CB 3.18Å; C534-C574 CovalentContact SG-SG 2.03Å; C534-C574 PolarHBondContact SG-SG 3.22Å; P570-C574 CarbonylContact O-C 3.54Å; P570-C574 WeakPolarHBondContact O-CA 3.32Å; P570-C574 VanDerWaalsContact O-CB 3.3Å; P570-C574 WeakPolarHBondContact O-CB 3.25Å; P570-C574 PolarHBondContact O-N 2.89Å; C574-Y576 PolarHBondContact O-N 3.46Å
575	R	71.3	Confident	81.4	Confident	168 Å²	168	90.5 Å²	90.5	63%	0.634	43%	0.427	S	S	*	.			trans	-49.3	124.5	171.6	-66.3	-168.5	-178.6	-179.2	1.5	108.4	N571 K577	N571-R575 WeakPolarHBondContact O-CG 3.32Å; N571-R575 PolarHBondContact O-NE 2.69Å; R575-K577 VanDerWaalsContact C-N 3.32Å; R575-K577 PolarHBondContact O-N 3.3Å
576	Y	50.2	Low	80.1	Confident	239 Å²	239	98 Å²	98	94%	0.937	46%	0.463	S	S	*	.			trans	-53.7	103.5	168.1	-73.8	-88.1	0	0	0	106.4	C574	C574-Y576 PolarHBondContact O-N 3.46Å
577	K	40.2	Very low	78.7	Confident	275 Å²	275	99.7 Å²	99.7	100%	1.196	47%	0.468	S	S	*	.			trans	-73.5	0	168.8	-83.1	-170.6	177.7	179.2	0	109.1	R575	R575-K577 VanDerWaalsContact C-N 3.32Å; R575-K577 PolarHBondContact O-N 3.3Å

Retrieved 577 of 577 residues in 220 ms (Link to these results)

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