A0A087XZ18_POEFO Loading...

Prolyl endopeptidase

Serine peptidase whose precise substrate specificity remains unclear. Does not cleave peptides after a arginine or lysine residue. Regulates trans-Golgi network morphology and sorting by regulating the membrane binding of the AP-1 complex. May play a role in the regulation of synaptic vesicle exocytosis.

AlphaFold DB , UniProt , Accession A0A087XZ18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	I	50.8	Low	38.1	Very low	30 Å²	30	40.3 Å²	40.3	15%	0.154	22%	0.218	C	C	.	.				0	-60.6	0	-66.3	165.9	0	0	0	113.2	T3 F4 H261 E263 D310 M311	I1-T3 VanDerWaalsContact C-N 3.34Å; I1-T3 PolarHBondContact O-N 3.28Å; I1-F4 PolarHBondContact O-N 3.09Å; I1-H261 HydrophobicContact CG2-CB 3.3Å; I1-E263 HydrophobicContact CD1-CB 3.55Å; I1-E263 HydrophobicContact CD1-CG 3.94Å; I1-D310 VanDerWaalsContact CA-OD1 3.29Å; I1-D310 WeakPolarHBondContact CA-OD1 3.12Å; I1-D310 PolarHBondContact N-OD1 3.09Å; I1-D310 PolarHBondContact N-OD2 3.34Å; I1-M311 WeakPolarHBondContact CB-O 3.24Å; I1-M311 HydrophobicContact CD1-CB 4.01Å; I1-M311 HydrophobicContact CD1-CE 3.45Å; I1-M311 VanDerWaalsContact CD1-CE 3.45Å; I1-M311 HydrophobicContact CD1-CG 4.03Å; I1-M311 WeakPolarHBondContact CD1-O 3.48Å; I1-M311 WeakPolarHBondContact CG1-O 3.27Å; I1-M311 PolarHBondContact N-O 3.24Å
2	I	53.1	Low	37	Very low	14 Å²	14	43.3 Å²	43.3	7%	0.072	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.8	-39.7	-177	-61.6	169.7	0	0	0	111.6	F4 T5 L6 L272 Y281 K309 D310	I2-F4 PolarHBondContact O-N 3.48Å; I2-T5 PolarHBondContact O-N 2.93Å; I2-L6 HydrophobicContact CG2-CD1 4.39Å; I2-L272 HydrophobicContact CD1-CD2 3.26Å; I2-L272 HydrophobicContact CD1-CG 4.44Å; I2-L272 HydrophobicContact CG1-CD2 3.44Å; I2-L272 VanDerWaalsContact CG1-CD2 3.44Å; I2-Y281 HydrophobicContact CD1-CD2 4.21Å; I2-Y281 HydrophobicContact CD1-CE2 4.1Å; I2-K309 VanDerWaalsContact CD1-O 3.29Å; I2-K309 WeakPolarHBondContact CD1-O 3.19Å; I2-D310 PolarHBondContact N-OD1 3.36Å
3	T	42.7	Very low	36.1	Very low	84 Å²	84	44.9 Å²	44.9	52%	0.515	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26	-179.5	-47.1	0	0	0	0	112.3	I1 F7 D310	I1-T3 VanDerWaalsContact C-N 3.34Å; I1-T3 PolarHBondContact O-N 3.28Å; T3-F7 VanDerWaalsContact O-CD2 3.25Å; T3-F7 WeakPolarHBondContact O-CD2 3.17Å; T3-F7 WeakPolarHBondContact O-CE2 3.44Å; T3-D310 PolarHBondContact OG1-OD2 2.76Å
4	F	34.7	Very low	35.3	Very low	47 Å²	47	45.7 Å²	45.7	21%	0.206	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-75.6	-24.5	178.1	-71.8	-76.6	0	0	0	114.4	I1 I2 F7 K358	I1-F4 PolarHBondContact O-N 3.09Å; I2-F4 PolarHBondContact O-N 3.48Å; F4-F7 HydrophobicContact CD1-CE2 4.22Å; F4-F7 WeakPolarHBondContact O-CD2 3.42Å; F4-K358 HydrophobicContact CE1-CD 4.46Å; F4-K358 VanDerWaalsContact CE2-CE 3.46Å; F4-K358 HydrophobicContact CZ-CD 3.93Å
5	T	32.5	Very low	35	Very low	25 Å²	25	46 Å²	46	15%	0.153	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-17.4	-170.1	-58.8	0	0	0	0	114.1	I2 F7 E214 N229 H261	I2-T5 PolarHBondContact O-N 2.93Å; T5-F7 PolarHBondContact O-N 3.13Å; T5-E214 PolarHBondContact OG1-OE1 2.98Å; T5-N229 HydrophobicContact CG2-CB 3.44Å; T5-N229 VanDerWaalsContact CG2-CB 3.44Å; T5-N229 WeakPolarHBondContact CG2-ND2 3.3Å; T5-H261 VanDerWaalsContact CB-CE1 3.47Å; T5-H261 WeakPolarHBondContact CB-CE1 3.31Å; T5-H261 PolarHBondContact OG1-CE1 2.87Å; T5-H261 VanDerWaalsContact OG1-CE1 3.29Å; T5-H261 PolarHBondContact OG1-ND1 2.91Å; T5-H261 VanDerWaalsContact OG1-ND1 3.12Å
6	L	33.7	Very low	34.8	Very low	79 Å²	79	45.4 Å²	45.4	41%	0.414	27%	0.269	S	S	.	.			trans	-99	52.9	-179.5	-70.7	161.3	0	0	0	111.6	I2 C10	I2-L6 HydrophobicContact CG2-CD1 4.39Å; L6-C10 PolarHBondContact O-SG 2.65Å
7	F	41.6	Very low	34.4	Very low	43 Å²	43	44.5 Å²	44.5	19%	0.189	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.6	-164.5	-109	-94.3	0	0	0	116.7	T3 F4 T5 E9 F164	T3-F7 VanDerWaalsContact O-CD2 3.25Å; T3-F7 WeakPolarHBondContact O-CD2 3.17Å; T3-F7 WeakPolarHBondContact O-CE2 3.44Å; F4-F7 HydrophobicContact CD1-CE2 4.22Å; F4-F7 WeakPolarHBondContact O-CD2 3.42Å; T5-F7 PolarHBondContact O-N 3.13Å; F7-E9 PolarHBondContact O-N 3.09Å; F7-F164 HydrophobicContact CB-CZ 4.06Å; F7-F164 HydrophobicContact CD1-CZ 4.01Å; F7-F164 HydrophobicContact CG-CZ 4.36Å
8	V	37.2	Very low	34.1	Very low	24 Å²	24	44.8 Å²	44.8	15%	0.145	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26	179.2	-176.8	0	0	0	0	112.1	F212 L565 R613	V8-F212 HydrophobicContact CG2-CB 4.46Å; V8-F212 HydrophobicContact CG2-CD2 3.46Å; V8-F212 VanDerWaalsContact CG2-CD2 3.46Å; V8-F212 HydrophobicContact CG2-CE2 3.77Å; V8-F212 HydrophobicContact CG2-CG 3.96Å; V8-L565 HydrophobicContact CG1-CD1 4.32Å; V8-L565 HydrophobicContact CG1-CD2 3.42Å; V8-L565 VanDerWaalsContact CG1-CD2 3.42Å; V8-R613 PolarHBondContact O-NE 3.09Å; V8-R613 PolarHBondContact O-NH2 3.32Å
9	E	33.8	Very low	34	Very low	18 Å²	18	44 Å²	44	8%	0.084	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-21.4	176	-67	-164.3	122.9	0	0	115.2	F7 N11 Y445 Y448 R450 R613	F7-E9 PolarHBondContact O-N 3.09Å; E9-N11 PolarHBondContact O-N 3.27Å; E9-N11 VanDerWaalsContact O-N 3.1Å; E9-Y445 PolarHBondContact OE1-OH 3.39Å; E9-Y445 PolarHBondContact OE2-OH 2.89Å; E9-Y448 WeakPolarHBondContact OE1-CD2 3.21Å; E9-Y448 WeakPolarHBondContact OE1-CE2 3.32Å; E9-Y448 VanDerWaalsContact OE2-CD2 3.27Å; E9-Y448 WeakPolarHBondContact OE2-CD2 3.09Å; E9-R450 WeakPolarHBondContact OE2-CD 3.36Å; E9-R450 IonicContact OE2-CZ 2.82Å; E9-R450 IonicContact OE2-NE 3.77Å; E9-R450 IonicContact OE2-NH1 3.72Å; E9-R450 PolarHBondContact OE2-NH1 2.87Å; E9-R613 PolarHBondContact O-NH1 3.12Å
10	C	29.7	Very low	33.8	Very low	33 Å²	33	44.5 Å²	44.5	22%	0.223	26%	0.263	C	S	.	.			trans	-82.8	88.6	-172.7	-67.8	0	0	0	0	112.1	L6 R450	L6-C10 PolarHBondContact O-SG 2.65Å; C10-R450 VanDerWaalsContact SG-CZ 3.59Å; C10-R450 PolarHBondContact SG-NH2 3.46Å
11	N	28.9	Very low	33.6	Very low	46 Å²	46	51.5 Å²	51.5	25%	0.246	29%	0.285	C	S	.	.			trans	-132.1	46.5	148.4	-96.8	-29.2	0	0	0	108	E9 A13 L659	E9-N11 PolarHBondContact O-N 3.27Å; E9-N11 VanDerWaalsContact O-N 3.1Å; N11-A13 PolarHBondContact O-N 3.42Å; N11-L659 HydrophobicContact CB-CD1 3.38Å; N11-L659 WeakPolarHBondContact O-CD1 3.29Å; N11-L659 WeakPolarHBondContact O-CD2 3.33Å; N11-L659 WeakPolarHBondContact O-CG 3.43Å
12	V	24.8	Very low	32.4	Very low	77 Å²	77	55.2 Å²	55.2	47%	0.467	30%	0.301	S	S	.	.			trans	-76.9	127	176	-178	0	0	0	0	108.4	L659	V12-L659 HydrophobicContact CG2-CD2 4.11Å
13	A	25.3	Very low	31.1	Very low	64 Å²	64	62.4 Å²	62.4	53%	0.529	33%	0.334	S	S	.	.			trans	63.9	102.1	173.7	0	0	0	0	0	115.2	N11 S15	N11-A13 PolarHBondContact O-N 3.42Å; A13-S15 PolarHBondContact O-N 2.94Å
14	P	25.7	Very low	30.2	Very low	56 Å²	56	67.8 Å²	67.8	36%	0.364	35%	0.351	S	S	.	.			trans	-56.5	141.1	154.2	28.3	-36.9	0	0	0	109.2	L16 F19	P14-L16 PolarHBondContact O-N 3.48Å; P14-F19 HydrophobicContact CB-CE2 3.26Å; P14-F19 HydrophobicContact CB-CZ 3.21Å; P14-F19 HydrophobicContact CG-CD2 4.46Å; P14-F19 HydrophobicContact CG-CE1 4.13Å; P14-F19 HydrophobicContact CG-CE2 3.19Å; P14-F19 HydrophobicContact CG-CZ 2.99Å; P14-F19 WeakPolarHBondContact O-CE2 3.4Å
15	S	30.8	Very low	29.7	Very low	50 Å²	50	73 Å²	73	35%	0.35	38%	0.38	S	S	.	.			trans	-57.1	138.1	-176.5	64.7	0	0	0	0	110.5	A13 S17 V18 F19	A13-S15 PolarHBondContact O-N 2.94Å; S15-S17 PolarHBondContact O-N 3.23Å; S15-S17 PolarHBondContact OG-OG 3.08Å; S15-V18 PolarHBondContact O-N 3.15Å; S15-V18 WeakPolarHBondContact OG-CG2 3.44Å; S15-F19 WeakPolarHBondContact O-CD2 3.37Å; S15-F19 VanDerWaalsContact O-CE2 3.26Å; S15-F19 WeakPolarHBondContact O-CE2 3.16Å
16	L	30.9	Very low	29.3	Very low	36 Å²	36	78.1 Å²	78.1	19%	0.188	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-48.7	-27.2	177.2	-90.3	149.3	0	0	0	113	P14 V18 F19 Y59 I65 F456 P458	P14-L16 PolarHBondContact O-N 3.48Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 2.73Å; L16-F19 PolarHBondContact O-N 3.39Å; L16-Y59 HydrophobicContact CD2-CD1 3.72Å; L16-Y59 HydrophobicContact CD2-CE1 3.79Å; L16-I65 HydrophobicContact CD1-CD1 4Å; L16-F456 HydrophobicContact CD1-CD1 4.19Å; L16-F456 HydrophobicContact CD1-CE1 4.5Å; L16-P458 HydrophobicContact CD1-CG 4.23Å; L16-P458 HydrophobicContact CD2-CG 3.92Å
17	S	28.8	Very low	28.8	Very low	31 Å²	31	83.4 Å²	83.4	22%	0.217	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-68.3	-24.2	178	61.2	0	0	0	0	115.8	S15 F19 D67	S15-S17 PolarHBondContact O-N 3.23Å; S15-S17 PolarHBondContact OG-OG 3.08Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-D67 WeakPolarHBondContact CB-OD2 3.42Å; S17-D67 PolarHBondContact OG-OD1 2.93Å; S17-D67 PolarHBondContact OG-OD2 2.96Å; S17-D67 VanDerWaalsContact OG-OD2 3.11Å
18	V	29	Very low	28.2	Very low	50 Å²	50	90.1 Å²	90.1	30%	0.303	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-76.5	-19	175.8	178.5	0	0	0	0	111.3	S15 L16	S15-V18 PolarHBondContact O-N 3.15Å; S15-V18 WeakPolarHBondContact OG-CG2 3.44Å; L16-V18 VanDerWaalsContact C-N 3.34Å; L16-V18 PolarHBondContact O-N 2.73Å
19	F	32.6	Very low	27.5	Very low	29 Å²	29	93.6 Å²	93.6	13%	0.127	49%	0.492	C	S	.	.	S	Bend	trans	-93.2	-15.3	-168	-68.6	-66	0	0	0	117.1	P14 S15 L16 S17 E662 F664	P14-F19 HydrophobicContact CB-CE2 3.26Å; P14-F19 HydrophobicContact CB-CZ 3.21Å; P14-F19 HydrophobicContact CG-CD2 4.46Å; P14-F19 HydrophobicContact CG-CE1 4.13Å; P14-F19 HydrophobicContact CG-CE2 3.19Å; P14-F19 HydrophobicContact CG-CZ 2.99Å; P14-F19 WeakPolarHBondContact O-CE2 3.4Å; S15-F19 WeakPolarHBondContact O-CD2 3.37Å; S15-F19 VanDerWaalsContact O-CE2 3.26Å; S15-F19 WeakPolarHBondContact O-CE2 3.16Å; L16-F19 PolarHBondContact O-N 3.39Å; S17-F19 VanDerWaalsContact C-N 3.29Å; F19-E662 WeakPolarHBondContact CE1-O 3.43Å; F19-F664 HydrophobicContact CB-CD2 3.99Å; F19-F664 HydrophobicContact CB-CG 4.48Å; F19-F664 HydrophobicContact CD1-CB 4.16Å; F19-F664 HydrophobicContact CG-CD2 4.47Å
20	V	30.2	Very low	27.1	Very low	53 Å²	53	98.8 Å²	98.8	32%	0.321	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.7	-163.6	-169	0	0	0	0	114.9	H63	V20-H63 HydrophobicContact CB-CB 4.4Å; V20-H63 HydrophobicContact CG1-CB 3.75Å; V20-H63 HydrophobicContact CG2-CB 4.09Å
21	W	28	Very low	26.9	Very low	192 Å²	192	100.4 Å²	100.4	73%	0.727	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	16.8	-177.4	-74.6	90.9	0	0	0	115.9	E23 A82	W21-E23 PolarHBondContact O-N 2.87Å; W21-A82 HydrophobicContact CB-CB 4.16Å
22	F	26.3	Very low	26.7	Very low	109 Å²	109	106.9 Å²	106.9	48%	0.478	59%	0.586	S	S	.	*			trans	-94.3	67.5	171.4	-92.1	-89.2	0	0	0	111.5
23	E	25.4	Very low	26.8	Very low	165 Å²	165	109 Å²	109	77%	0.771	60%	0.604	S	S	*	*			trans	-108.4	6	175.6	-132.2	-172.1	-167.8	0	0	114.9	W21	W21-E23 PolarHBondContact O-N 2.87Å
24	F	24.8	Very low	27.2	Very low	196 Å²	196	111.1 Å²	111.1	86%	0.86	62%	0.615	S	S	*	*	S	Bend	trans	-137.3	97.9	174.6	-101.6	-93.2	0	0	0	111.4
25	L	24.2	Very low	27.5	Very low	158 Å²	158	115.3 Å²	115.3	83%	0.827	63%	0.634	S	S	*	*			trans	142.6	97.8	150.4	-78.9	160.6	0	0	0	109.1
26	L	23.4	Very low	27.6	Very low	131 Å²	131	121.2 Å²	121.2	69%	0.686	66%	0.656	S	S	*	*			trans	-166.8	96.9	149.8	-100.8	167.9	0	0	0	108.8
27	Q	24.3	Very low	28	Very low	191 Å²	191	125 Å²	125	89%	0.893	68%	0.676	S	S	*	*	S	Bend	trans	-114.9	129.5	146.4	-129.4	174.1	-2.7	0	0	104.7
28	E	28.6	Very low	28.4	Very low	184 Å²	184	129 Å²	129	86%	0.86	70%	0.704	S	S	*	*			trans	82.1	92.3	177.6	-54.6	-172.9	159.4	0	0	117.7
29	A	23.1	Very low	28.9	Very low	97 Å²	97	133 Å²	133	80%	0.802	73%	0.734	S	S	*	*			trans	-160	74.8	143.3	0	0	0	0	0	109.5
30	S	24.8	Very low	29.6	Very low	126 Å²	126	133.3 Å²	133.3	88%	0.881	75%	0.745	S	S	*	*			trans	-109.1	108	167.5	57.4	0	0	0	0	109.2
31	G	24.8	Very low	30.9	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	74%	0.744	S	S	*	*			trans	158.3	102	167.1	0	0	0	0	0	112.4
32	L	24.1	Very low	33	Very low	183 Å²	183	129.5 Å²	129.5	96%	0.958	74%	0.741	S	S	*	*				169.8	146.4	119	-88.3	156.4	0	0	0	112.5
33	S	28.2	Very low	35.4	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	74%	0.741	S	S	*	*			trans	76.9	82.4	167.7	-162.7	0	0	0	0	117.6
34	S	32.8	Very low	37.8	Very low	108 Å²	108	123.8 Å²	123.8	76%	0.755	71%	0.712	S	S	*	*			trans	-103	125.3	153	59.6	0	0	0	0	108.1
35	D	31.7	Very low	40.3	Very low	144 Å²	144	117.9 Å²	117.9	77%	0.77	69%	0.687	S	S	*	*			trans	-150.1	132.1	150.9	-96.9	-30.5	0	0	0	112.4
36	H	34.6	Very low	43.1	Very low	173 Å²	173	116.8 Å²	116.8	80%	0.801	68%	0.678	S	S	*	*			trans	69.2	73.7	169.5	-57.4	-51.5	0	0	0	120
37	L	38.5	Very low	46.1	Very low	116 Å²	116	111.8 Å²	111.8	61%	0.607	65%	0.652	S	S	*	*			trans	-140.5	111.2	139.3	-85.2	113.3	0	0	0	108.5	S41	L37-S41 WeakPolarHBondContact O-CB 3.5Å
38	S	37.3	Very low	48.7	Very low	116 Å²	116	104.7 Å²	104.7	81%	0.811	62%	0.618	S	S	*	*			trans	-111.2	134.8	171.8	58.3	0	0	0	0	110.4
39	S	39	Very low	51.2	Low	133 Å²	133	102.3 Å²	102.3	93%	0.93	61%	0.605	S	S	*	*	S	Bend	trans	82.7	-35.8	-170	78.3	0	0	0	0	118
40	G	46.8	Very low	54.3	Low	36 Å²	36	101.8 Å²	101.8	37%	0.371	59%	0.586	S	S	.	*	S	Bend	trans	-87.3	-6.3	173.1	0	0	0	0	0	115.6	D42 Y44	G40-D42 PolarHBondContact O-N 3.49Å; G40-Y44 WeakPolarHBondContact O-CB 3.42Å; G40-Y44 PolarHBondContact O-N 2.99Å
41	S	59.5	Low	57.3	Low	43 Å²	43	95.9 Å²	95.9	30%	0.301	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-41.7	-170.6	-172.4	0	0	0	0	113.4	L37 Y44 Q45	L37-S41 WeakPolarHBondContact O-CB 3.5Å; S41-Y44 PolarHBondContact O-N 3.25Å; S41-Q45 WeakPolarHBondContact O-CB 3.37Å; S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.43Å
42	D	70.1	Confident	60.1	Low	121 Å²	121	94.3 Å²	94.3	65%	0.647	52%	0.521	S	S	*	.	H	α-helix	trans	-72.5	-42.1	-172.3	-69.9	-18.7	0	0	0	112.7	G40 Y44 Q45 Q46	G40-D42 PolarHBondContact O-N 3.49Å; D42-Y44 VanDerWaalsContact C-N 3.34Å; D42-Y44 PolarHBondContact O-N 2.82Å; D42-Q45 PolarHBondContact O-N 3.36Å; D42-Q46 WeakPolarHBondContact O-CB 3.2Å; D42-Q46 WeakPolarHBondContact O-CG 3.5Å; D42-Q46 PolarHBondContact O-N 2.89Å
43	K	76.9	Confident	63.1	Low	110 Å²	110	94.5 Å²	94.5	48%	0.478	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-44.6	174.4	-171.7	-176.7	178.1	-169.7	0	110.2	Q46 L47 L685	K43-Q46 PolarHBondContact O-N 3.11Å; K43-L47 HydrophobicContact CG-CD1 4.36Å; K43-L47 WeakPolarHBondContact O-CG 3.45Å; K43-L47 PolarHBondContact O-N 3.4Å; K43-L685 PolarHBondContact NZ-O 2.9Å
44	Y	76.5	Confident	66	Low	44 Å²	44	93.8 Å²	93.8	17%	0.173	49%	0.487	C	S	.	.	H	α-helix	trans	-62	-44.9	178.5	-167.2	-88.9	0	0	0	112.2	G40 S41 D42 Q46 L47 K48 H673 A677	G40-Y44 WeakPolarHBondContact O-CB 3.42Å; G40-Y44 PolarHBondContact O-N 2.99Å; S41-Y44 PolarHBondContact O-N 3.25Å; D42-Y44 VanDerWaalsContact C-N 3.34Å; D42-Y44 PolarHBondContact O-N 2.82Å; Y44-Q46 VanDerWaalsContact C-N 3.34Å; Y44-Q46 PolarHBondContact O-N 3.48Å; Y44-L47 PolarHBondContact O-N 3.49Å; Y44-K48 WeakPolarHBondContact O-CB 3.48Å; Y44-K48 PolarHBondContact O-N 3.04Å; Y44-H673 PolarHBondContact OH-O 2.84Å; Y44-A677 HydrophobicContact CD2-CB 4.33Å; Y44-A677 HydrophobicContact CE1-CB 4.29Å; Y44-A677 HydrophobicContact CE2-CB 3.86Å
45	Q	77.1	Confident	68.5	Low	73 Å²	73	88.6 Å²	88.6	34%	0.341	45%	0.452	S	S	.	.	H	α-helix	trans	-67.3	-32.8	176.9	-69.5	-62.9	-18.6	0	0	112.9	S41 D42 K49	S41-Q45 WeakPolarHBondContact O-CB 3.37Å; S41-Q45 WeakPolarHBondContact O-CG 3.35Å; S41-Q45 PolarHBondContact O-N 3.43Å; D42-Q45 PolarHBondContact O-N 3.36Å; Q45-K49 WeakPolarHBondContact O-CG 3.38Å; Q45-K49 PolarHBondContact O-N 2.66Å; Q45-K49 VanDerWaalsContact O-N 3.14Å
46	Q	84.2	Confident	71.1	Confident	134 Å²	134	86.9 Å²	86.9	63%	0.626	44%	0.437	S	S	*	.	H	α-helix	trans	-67.6	-47	173.1	-73.9	173.1	17.6	0	0	111.5	D42 K43 Y44 K48 K49 H50	D42-Q46 WeakPolarHBondContact O-CB 3.2Å; D42-Q46 WeakPolarHBondContact O-CG 3.5Å; D42-Q46 PolarHBondContact O-N 2.89Å; K43-Q46 PolarHBondContact O-N 3.11Å; Y44-Q46 VanDerWaalsContact C-N 3.34Å; Y44-Q46 PolarHBondContact O-N 3.48Å; Q46-K48 VanDerWaalsContact C-N 3.31Å; Q46-K48 PolarHBondContact O-N 3.38Å; Q46-K49 PolarHBondContact O-N 2.71Å; Q46-H50 WeakPolarHBondContact O-CB 3.27Å; Q46-H50 PolarHBondContact O-N 3.15Å
47	L	85.2	Confident	73.5	Confident	27 Å²	27	81.5 Å²	81.5	14%	0.141	42%	0.423	C	S	.	.	H	α-helix	trans	-57.9	-43.7	174.8	-75.6	172.5	0	0	0	111.3	K43 Y44 K49 H50 F51 A677	K43-L47 HydrophobicContact CG-CD1 4.36Å; K43-L47 WeakPolarHBondContact O-CG 3.45Å; K43-L47 PolarHBondContact O-N 3.4Å; Y44-L47 PolarHBondContact O-N 3.49Å; L47-K49 PolarHBondContact O-N 2.88Å; L47-H50 WeakPolarHBondContact O-CB 3.27Å; L47-H50 PolarHBondContact O-N 3.15Å; L47-F51 HydrophobicContact CB-CD2 4.38Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CE2 4.07Å; L47-F51 HydrophobicContact CD2-CZ 4.41Å; L47-F51 WeakPolarHBondContact O-CD2 3.25Å; L47-F51 PolarHBondContact O-N 3.14Å; L47-A677 HydrophobicContact CB-CB 4.29Å
48	K	79.1	Confident	75.7	Confident	42 Å²	42	76.4 Å²	76.4	18%	0.183	40%	0.397	C	S	.	.	H	α-helix	trans	-53.3	-55	173.4	178.7	-171	-172	164.1	0	111.5	Y44 Q46 H50 F51 V52 H673	Y44-K48 WeakPolarHBondContact O-CB 3.48Å; Y44-K48 PolarHBondContact O-N 3.04Å; Q46-K48 VanDerWaalsContact C-N 3.31Å; Q46-K48 PolarHBondContact O-N 3.38Å; K48-H50 VanDerWaalsContact C-N 3.26Å; K48-H50 PolarHBondContact O-N 2.87Å; K48-F51 PolarHBondContact O-N 2.64Å; K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.14Å; K48-V52 PolarHBondContact O-N 2.79Å; K48-H673 HydrophobicContact CD-CB 4.3Å; K48-H673 WeakPolarHBondContact CD-CD2 3.36Å; K48-H673 WeakPolarHBondContact CE-CD2 3.37Å; K48-H673 HydrophobicContact CG-CB 4.17Å; K48-H673 PolarHBondContact NZ-CD2 3.2Å; K48-H673 PolarHBondContact NZ-CE1 3.14Å; K48-H673 VanDerWaalsContact NZ-CE1 3.32Å; K48-H673 PolarHBondContact NZ-NE2 3.17Å
49	K	82.1	Confident	77.8	Confident	134 Å²	134	72 Å²	72	58%	0.583	36%	0.362	S	S	*	.	H	α-helix	trans	-61	-37	-179.3	-73.3	176.5	-177.7	175.9	0	111.9	Q45 Q46 L47 R53	Q45-K49 WeakPolarHBondContact O-CG 3.38Å; Q45-K49 PolarHBondContact O-N 2.66Å; Q45-K49 VanDerWaalsContact O-N 3.14Å; Q46-K49 PolarHBondContact O-N 2.71Å; L47-K49 PolarHBondContact O-N 2.88Å; K49-R53 WeakPolarHBondContact O-CG 3.14Å; K49-R53 PolarHBondContact O-N 2.84Å
50	H	87.5	Confident	79.8	Confident	86 Å²	86	71 Å²	71	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-62.9	-54.6	175.9	177.3	85.9	0	0	0	111.4	Q46 L47 K48 V52 R53 R54	Q46-H50 WeakPolarHBondContact O-CB 3.27Å; Q46-H50 PolarHBondContact O-N 3.15Å; L47-H50 WeakPolarHBondContact O-CB 3.27Å; L47-H50 PolarHBondContact O-N 3.15Å; K48-H50 VanDerWaalsContact C-N 3.26Å; K48-H50 PolarHBondContact O-N 2.87Å; H50-V52 PolarHBondContact O-N 2.84Å; H50-R53 PolarHBondContact O-N 3Å; H50-R54 WeakPolarHBondContact O-CG 3.44Å; H50-R54 PolarHBondContact O-N 3.39Å
51	F	88.4	Confident	81.5	Confident	2 Å²	2	72 Å²	72	1%	0.009	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-36.7	-177.5	-69.7	-53	0	0	0	113.3	L47 K48 R53 R54 L55 F462 L676 A677 Y680	L47-F51 HydrophobicContact CB-CD2 4.38Å; L47-F51 HydrophobicContact CB-CE2 4.14Å; L47-F51 HydrophobicContact CD2-CE2 4.07Å; L47-F51 HydrophobicContact CD2-CZ 4.41Å; L47-F51 WeakPolarHBondContact O-CD2 3.25Å; L47-F51 PolarHBondContact O-N 3.14Å; K48-F51 PolarHBondContact O-N 2.64Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 PolarHBondContact O-N 2.76Å; F51-R54 PolarHBondContact O-N 3.47Å; F51-L55 VanDerWaalsContact O-CB 3.32Å; F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.36Å; F51-F462 AromaticContact CD1-CE1 3.71Å; F51-F462 HydrophobicContact CD1-CE1 3.71Å; F51-F462 AromaticContact CD1-CZ 3.76Å; F51-F462 HydrophobicContact CD1-CZ 3.76Å; F51-F462 AromaticContact CE1-CE1 3.78Å; F51-F462 HydrophobicContact CE1-CE1 3.78Å; F51-F462 AromaticContact CE1-CZ 3.83Å; F51-F462 HydrophobicContact CE1-CZ 3.83Å; F51-L676 HydrophobicContact CB-CD1 4.32Å; F51-L676 HydrophobicContact CD1-CB 4.38Å; F51-L676 HydrophobicContact CD1-CD1 4Å; F51-L676 HydrophobicContact CD2-CB 3.81Å; F51-L676 HydrophobicContact CE2-CB 4.03Å; F51-L676 HydrophobicContact CG-CB 4.02Å; F51-L676 HydrophobicContact CG-CD1 4.11Å; F51-L676 HydrophobicContact CZ-CB 4.44Å; F51-A677 HydrophobicContact CD2-CB 4.49Å; F51-Y680 HydrophobicContact CE1-CD2 4.34Å; F51-Y680 HydrophobicContact CE1-CE1 4.5Å; F51-Y680 AromaticContact CE1-CE2 3.97Å; F51-Y680 HydrophobicContact CE1-CE2 3.97Å; F51-Y680 AromaticContact CE2-CD2 3.96Å; F51-Y680 HydrophobicContact CE2-CD2 3.96Å; F51-Y680 HydrophobicContact CE2-CE2 4.42Å; F51-Y680 HydrophobicContact CE2-CG 4.04Å; F51-Y680 AromaticContact CZ-CD1 3.84Å; F51-Y680 HydrophobicContact CZ-CD1 3.84Å; F51-Y680 AromaticContact CZ-CD2 3.44Å; F51-Y680 HydrophobicContact CZ-CD2 3.44Å; F51-Y680 VanDerWaalsContact CZ-CD2 3.44Å; F51-Y680 AromaticContact CZ-CE1 3.91Å; F51-Y680 HydrophobicContact CZ-CE1 3.91Å; F51-Y680 AromaticContact CZ-CE2 3.5Å; F51-Y680 HydrophobicContact CZ-CE2 3.5Å; F51-Y680 AromaticContact CZ-CG 3.61Å; F51-Y680 HydrophobicContact CZ-CG 3.61Å; F51-Y680 AromaticContact CZ-CZ 3.74Å
52	V	83.4	Confident	82.5	Confident	34 Å²	34	70.5 Å²	70.5	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-47.2	173.6	170	0	0	0	0	110.6	K48 H50 K56 S672	K48-V52 VanDerWaalsContact O-CG2 3.31Å; K48-V52 WeakPolarHBondContact O-CG2 3.14Å; K48-V52 PolarHBondContact O-N 2.79Å; H50-V52 PolarHBondContact O-N 2.84Å; V52-K56 HydrophobicContact CG1-CD 4.24Å; V52-K56 WeakPolarHBondContact O-CB 3.41Å; V52-K56 VanDerWaalsContact O-CG 3.27Å; V52-K56 WeakPolarHBondContact O-CG 3.42Å; V52-K56 PolarHBondContact O-N 3.04Å; V52-S672 WeakPolarHBondContact CG2-OG 3.25Å
53	R	86.5	Confident	82.4	Confident	187 Å²	187	68.9 Å²	68.9	71%	0.706	31%	0.311	S	S	*	.	H	α-helix	trans	-66.1	-45.4	-179.6	-69.6	174.9	-176.2	172.1	0.3	111.6	K49 H50 F51 A57	K49-R53 WeakPolarHBondContact O-CG 3.14Å; K49-R53 PolarHBondContact O-N 2.84Å; H50-R53 PolarHBondContact O-N 3Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 PolarHBondContact O-N 2.76Å; R53-A57 PolarHBondContact O-N 3.24Å; R53-A57 VanDerWaalsContact O-N 3.11Å
54	R	88.9	Confident	82	Confident	106 Å²	106	66.5 Å²	66.5	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-43.7	-178.2	-66.4	-72.7	-72	164.8	0.4	112.3	H50 F51 A57 T58 F462 E466	H50-R54 WeakPolarHBondContact O-CG 3.44Å; H50-R54 PolarHBondContact O-N 3.39Å; F51-R54 PolarHBondContact O-N 3.47Å; R54-A57 PolarHBondContact O-N 2.97Å; R54-T58 WeakPolarHBondContact O-CB 3.41Å; R54-T58 PolarHBondContact O-N 3.06Å; R54-T58 PolarHBondContact O-OG1 3.43Å; R54-F462 HydrophobicContact CB-CE2 3.73Å; R54-F462 HydrophobicContact CB-CZ 4.05Å; R54-F462 HydrophobicContact CG-CE2 4.33Å; R54-E466 IonicContact CZ-OE1 3.96Å; R54-E466 IonicContact NE-OE1 3.96Å; R54-E466 IonicContact NH2-OE1 3.14Å; R54-E466 PolarHBondContact NH2-OE1 2.83Å
55	L	85.9	Confident	81.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-43.8	176.5	-70.9	-174.2	0	0	0	111.2	F51 A57 T58 Y59 V459 F462 L668 V671 L676	F51-L55 VanDerWaalsContact O-CB 3.32Å; F51-L55 WeakPolarHBondContact O-CB 3.49Å; F51-L55 WeakPolarHBondContact O-CG 3.44Å; F51-L55 PolarHBondContact O-N 3.36Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.5Å; L55-T58 CarbonylContact O-C 3.56Å; L55-T58 WeakPolarHBondContact O-CA 3.41Å; L55-T58 WeakPolarHBondContact O-CB 3.38Å; L55-T58 PolarHBondContact O-N 3.38Å; L55-Y59 HydrophobicContact CB-CD2 4.39Å; L55-Y59 VanDerWaalsContact O-CD2 3.3Å; L55-Y59 WeakPolarHBondContact O-CD2 3.35Å; L55-Y59 PolarHBondContact O-N 2.95Å; L55-V459 HydrophobicContact CD2-CG1 4.45Å; L55-V459 HydrophobicContact CD2-CG2 4.24Å; L55-F462 HydrophobicContact CD2-CB 4.26Å; L55-F462 HydrophobicContact CD2-CD1 3.94Å; L55-F462 HydrophobicContact CD2-CG 4.06Å; L55-L668 HydrophobicContact CB-CD2 3.8Å; L55-L668 HydrophobicContact CD1-CD2 4.41Å; L55-V671 HydrophobicContact CD1-CB 4.22Å; L55-V671 HydrophobicContact CD1-CG1 3.65Å; L55-L676 HydrophobicContact CD1-CD1 3.88Å; L55-L676 HydrophobicContact CD2-CD1 4.19Å; L55-L676 HydrophobicContact CG-CD1 4.22Å
56	K	84.8	Confident	81	Confident	107 Å²	107	64.1 Å²	64.1	47%	0.465	30%	0.304	S	S	.	.	H	α-helix	trans	-53.8	-47.6	173.5	-79.2	-177.4	178	-167.8	0	111.9	V52 T58 H60 L668	V52-K56 HydrophobicContact CG1-CD 4.24Å; V52-K56 WeakPolarHBondContact O-CB 3.41Å; V52-K56 VanDerWaalsContact O-CG 3.27Å; V52-K56 WeakPolarHBondContact O-CG 3.42Å; V52-K56 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact C-N 3.32Å; K56-T58 PolarHBondContact O-N 3.11Å; K56-H60 WeakPolarHBondContact O-CB 3.27Å; K56-H60 PolarHBondContact O-N 3.46Å; K56-L668 HydrophobicContact CD-CD1 4.37Å; K56-L668 HydrophobicContact CG-CD1 3.51Å
57	A	85.1	Confident	80.1	Confident	61 Å²	61	59.9 Å²	59.9	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-62.6	-38.6	175.9	0	0	0	0	0	112.4	R53 R54 L55 H60 R61	R53-A57 PolarHBondContact O-N 3.24Å; R53-A57 VanDerWaalsContact O-N 3.11Å; R54-A57 PolarHBondContact O-N 2.97Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.5Å; A57-H60 PolarHBondContact O-N 3.07Å; A57-R61 PolarHBondContact O-N 2.65Å
58	T	84.8	Confident	78.9	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-48.3	178.9	-55.6	0	0	0	0	111.7	R54 L55 K56 H60 R61 F62 P458 F462	R54-T58 WeakPolarHBondContact O-CB 3.41Å; R54-T58 PolarHBondContact O-N 3.06Å; R54-T58 PolarHBondContact O-OG1 3.43Å; L55-T58 CarbonylContact O-C 3.56Å; L55-T58 WeakPolarHBondContact O-CA 3.41Å; L55-T58 WeakPolarHBondContact O-CB 3.38Å; L55-T58 PolarHBondContact O-N 3.38Å; K56-T58 VanDerWaalsContact C-N 3.32Å; K56-T58 PolarHBondContact O-N 3.11Å; T58-H60 VanDerWaalsContact C-N 3.3Å; T58-H60 PolarHBondContact O-N 3.09Å; T58-R61 WeakPolarHBondContact O-CB 3.33Å; T58-R61 PolarHBondContact O-N 3.32Å; T58-R61 VanDerWaalsContact O-N 3.15Å; T58-F62 HydrophobicContact CG2-CD2 3.96Å; T58-F62 HydrophobicContact CG2-CE2 3.83Å; T58-F62 WeakPolarHBondContact O-CD2 3.48Å; T58-F62 PolarHBondContact O-N 2.59Å; T58-P458 HydrophobicContact CG2-CB 4.09Å; T58-P458 WeakPolarHBondContact CG2-O 3.41Å; T58-F462 HydrophobicContact CG2-CB 4.22Å
59	Y	82.4	Confident	78.1	Confident	23 Å²	23	60.7 Å²	60.7	9%	0.09	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-39.4	175.6	-85.1	-85.1	0	0	0	111.4	L16 L55 R61 F62 H63 P458 V459 F664 M667 L668	L16-Y59 HydrophobicContact CD2-CD1 3.72Å; L16-Y59 HydrophobicContact CD2-CE1 3.79Å; L55-Y59 HydrophobicContact CB-CD2 4.39Å; L55-Y59 VanDerWaalsContact O-CD2 3.3Å; L55-Y59 WeakPolarHBondContact O-CD2 3.35Å; L55-Y59 PolarHBondContact O-N 2.95Å; Y59-R61 VanDerWaalsContact C-N 3.34Å; Y59-R61 PolarHBondContact O-N 2.75Å; Y59-F62 CarbonylContact O-C 3.56Å; Y59-F62 PolarHBondContact O-N 2.93Å; Y59-F62 VanDerWaalsContact O-N 3.14Å; Y59-H63 PolarHBondContact O-N 3.13Å; Y59-H63 VanDerWaalsContact O-N 3.13Å; Y59-P458 HydrophobicContact CD1-CB 4.1Å; Y59-P458 HydrophobicContact CD1-CG 3.85Å; Y59-P458 HydrophobicContact CD2-CB 4.3Å; Y59-P458 HydrophobicContact CE1-CB 3.99Å; Y59-P458 HydrophobicContact CE1-CG 3.68Å; Y59-P458 HydrophobicContact CE2-CB 4.2Å; Y59-P458 HydrophobicContact CG-CB 4.26Å; Y59-P458 HydrophobicContact CG-CG 4.47Å; Y59-V459 HydrophobicContact CE2-CG2 4.01Å; Y59-V459 WeakPolarHBondContact OH-CG2 3.42Å; Y59-F664 AromaticContact CD1-CE2 3.77Å; Y59-F664 HydrophobicContact CD1-CE2 3.77Å; Y59-F664 HydrophobicContact CD1-CZ 4.29Å; Y59-F664 HydrophobicContact CD2-CE2 4.28Å; Y59-F664 HydrophobicContact CD2-CZ 4.33Å; Y59-F664 HydrophobicContact CE1-CE2 4.19Å; Y59-F664 AromaticContact CG-CE2 3.82Å; Y59-F664 HydrophobicContact CG-CE2 3.82Å; Y59-F664 AromaticContact CG-CZ 3.9Å; Y59-F664 HydrophobicContact CG-CZ 3.9Å; Y59-M667 HydrophobicContact CE1-CE 3.98Å; Y59-M667 HydrophobicContact CE2-CE 4.2Å; Y59-L668 HydrophobicContact CD2-CD2 3.69Å; Y59-L668 HydrophobicContact CE2-CD2 3.73Å
60	H	81.3	Confident	77.4	Confident	111 Å²	111	57.1 Å²	57.1	51%	0.514	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-39.6	173.2	-171.9	-48.8	0	0	0	111.9	K56 A57 T58 F62 H63	K56-H60 WeakPolarHBondContact O-CB 3.27Å; K56-H60 PolarHBondContact O-N 3.46Å; A57-H60 PolarHBondContact O-N 3.07Å; T58-H60 VanDerWaalsContact C-N 3.3Å; T58-H60 PolarHBondContact O-N 3.09Å; H60-F62 PolarHBondContact O-N 2.71Å; H60-H63 AromaticContact CE1-CD2 3.95Å; H60-H63 AromaticContact ND1-CD2 3.98Å; H60-H63 WeakPolarHBondContact O-CB 3.41Å; H60-H63 PolarHBondContact O-N 3.2Å
61	R	81.9	Confident	76.8	Confident	59 Å²	59	54.6 Å²	54.6	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-30.7	175.2	-179.5	175.9	59.9	169.2	-11.6	112.1	A57 T58 Y59 E402 E465	A57-R61 PolarHBondContact O-N 2.65Å; T58-R61 WeakPolarHBondContact O-CB 3.33Å; T58-R61 PolarHBondContact O-N 3.32Å; T58-R61 VanDerWaalsContact O-N 3.15Å; Y59-R61 VanDerWaalsContact C-N 3.34Å; Y59-R61 PolarHBondContact O-N 2.75Å; R61-E402 IonicContact NH1-OE1 2.95Å; R61-E402 PolarHBondContact NH1-OE1 3.34Å; R61-E402 VanDerWaalsContact NH1-OE1 3.08Å; R61-E402 IonicContact NH1-OE2 3.25Å; R61-E465 IonicContact CZ-OE1 3.61Å; R61-E465 VanDerWaalsContact CZ-OE1 3.31Å; R61-E465 IonicContact CZ-OE2 2.8Å; R61-E465 IonicContact NH1-OE1 3.51Å; R61-E465 PolarHBondContact NH1-OE1 3.26Å; R61-E465 IonicContact NH1-OE2 3.13Å; R61-E465 IonicContact NH2-OE1 2.93Å; R61-E465 PolarHBondContact NH2-OE1 3.29Å; R61-E465 IonicContact NH2-OE2 2.74Å; R61-E465 PolarHBondContact NH2-OE2 3.31Å
62	F	79.4	Confident	76.2	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.048	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	20.5	-177	-65.2	-58.6	0	0	0	113.6	T58 Y59 H60 S64 I65 F456 P458 R461	T58-F62 HydrophobicContact CG2-CD2 3.96Å; T58-F62 HydrophobicContact CG2-CE2 3.83Å; T58-F62 WeakPolarHBondContact O-CD2 3.48Å; T58-F62 PolarHBondContact O-N 2.59Å; Y59-F62 CarbonylContact O-C 3.56Å; Y59-F62 PolarHBondContact O-N 2.93Å; Y59-F62 VanDerWaalsContact O-N 3.14Å; H60-F62 PolarHBondContact O-N 2.71Å; F62-S64 PolarHBondContact O-N 3.49Å; F62-I65 HydrophobicContact CB-CD1 3.68Å; F62-I65 HydrophobicContact CB-CG1 4.35Å; F62-I65 HydrophobicContact CD1-CD1 4.31Å; F62-I65 HydrophobicContact CG-CD1 4.3Å; F62-I65 WeakPolarHBondContact O-CD1 3.21Å; F62-I65 WeakPolarHBondContact O-CG1 3.41Å; F62-F456 HydrophobicContact CB-CE1 4.19Å; F62-F456 HydrophobicContact CD1-CE1 4.2Å; F62-F456 AromaticContact CD1-CZ 3.83Å; F62-F456 HydrophobicContact CD1-CZ 3.83Å; F62-F456 HydrophobicContact CD2-CE1 4.23Å; F62-F456 AromaticContact CD2-CZ 3.8Å; F62-F456 HydrophobicContact CD2-CZ 3.8Å; F62-F456 AromaticContact CE1-CZ 3.94Å; F62-F456 HydrophobicContact CE1-CZ 3.94Å; F62-F456 AromaticContact CE2-CZ 3.89Å; F62-F456 HydrophobicContact CE2-CZ 3.89Å; F62-F456 AromaticContact CG-CE1 3.95Å; F62-F456 HydrophobicContact CG-CE1 3.95Å; F62-F456 AromaticContact CG-CZ 3.78Å; F62-F456 HydrophobicContact CG-CZ 3.78Å; F62-F456 AromaticContact CZ-CZ 3.98Å; F62-F456 HydrophobicContact CZ-CZ 3.98Å; F62-P458 HydrophobicContact CD2-CB 4.16Å; F62-P458 HydrophobicContact CD2-CG 4.44Å; F62-R461 HydrophobicContact CE2-CB 4.37Å; F62-R461 HydrophobicContact CE2-CG 3.73Å; F62-R461 HydrophobicContact CZ-CG 3.72Å
63	H	69.8	Low	75.9	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.398	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.9	-175.1	66.9	0.7	0	0	0	115.3	V20 Y59 H60	V20-H63 HydrophobicContact CB-CB 4.4Å; V20-H63 HydrophobicContact CG1-CB 3.75Å; V20-H63 HydrophobicContact CG2-CB 4.09Å; Y59-H63 PolarHBondContact O-N 3.13Å; Y59-H63 VanDerWaalsContact O-N 3.13Å; H60-H63 AromaticContact CE1-CD2 3.95Å; H60-H63 AromaticContact ND1-CD2 3.98Å; H60-H63 WeakPolarHBondContact O-CB 3.41Å; H60-H63 PolarHBondContact O-N 3.2Å
64	S	67.2	Low	75.5	Confident	60 Å²	60	47.8 Å²	47.8	42%	0.42	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	30.2	-168.8	53	0	0	0	0	110.6	F62	F62-S64 PolarHBondContact O-N 3.49Å
65	I	69.5	Low	75	Confident	21 Å²	21	45.8 Å²	45.8	11%	0.108	25%	0.246	C	C	.	.			trans	-67.7	133.4	175.1	-78.4	172.4	0	0	0	108.6	L16 F62 D67 P378 P379 F456	L16-I65 HydrophobicContact CD1-CD1 4Å; F62-I65 HydrophobicContact CB-CD1 3.68Å; F62-I65 HydrophobicContact CB-CG1 4.35Å; F62-I65 HydrophobicContact CD1-CD1 4.31Å; F62-I65 HydrophobicContact CG-CD1 4.3Å; F62-I65 WeakPolarHBondContact O-CD1 3.21Å; F62-I65 WeakPolarHBondContact O-CG1 3.41Å; I65-D67 PolarHBondContact O-N 3.25Å; I65-P378 HydrophobicContact CD1-CB 3.99Å; I65-P378 HydrophobicContact CG1-CB 4.13Å; I65-P379 HydrophobicContact CG2-CB 3.97Å; I65-P379 VanDerWaalsContact CG2-CD 3.49Å; I65-P379 HydrophobicContact CG2-CG 3.53Å; I65-F456 HydrophobicContact CD1-CD1 3.57Å; I65-F456 HydrophobicContact CD1-CE1 3.32Å; I65-F456 HydrophobicContact CD1-CZ 4.33Å
66	P	63	Low	74.6	Confident	46 Å²	46	46.2 Å²	46.2	30%	0.299	25%	0.248	S	C	.	.			trans	-56.7	136.1	172.5	-20.3	30.9	0	0	0	110.7	L371 P381	P66-L371 HydrophobicContact CB-CD2 4.18Å; P66-L371 WeakPolarHBondContact O-CD1 3.02Å; P66-P381 HydrophobicContact CG-CG 4.49Å
67	D	65.4	Low	74.2	Confident	45 Å²	45	43 Å²	43	24%	0.241	24%	0.238	C	C	.	.			trans	-144.3	161.1	176	72.4	90.6	0	0	0	110.1	S17 I65 S69	S17-D67 WeakPolarHBondContact CB-OD2 3.42Å; S17-D67 PolarHBondContact OG-OD1 2.93Å; S17-D67 PolarHBondContact OG-OD2 2.96Å; S17-D67 VanDerWaalsContact OG-OD2 3.11Å; I65-D67 PolarHBondContact O-N 3.25Å; D67-S69 VanDerWaalsContact C-N 3.31Å; D67-S69 PolarHBondContact O-N 3.31Å; D67-S69 WeakPolarHBondContact OD1-CA 3.36Å; D67-S69 WeakPolarHBondContact OD1-CB 3.43Å; D67-S69 PolarHBondContact OD1-N 3.44Å; D67-S69 PolarHBondContact OD1-OG 3.31Å
68	Y	61.1	Low	73.8	Confident	61 Å²	61	40.1 Å²	40.1	24%	0.239	21%	0.214	C	C	.	.	S	Bend	trans	-90.3	26.5	-178.1	-62.5	-49.1	0	0	0	114.8	V70 E355 K357 F370 L371	Y68-V70 PolarHBondContact O-N 3.15Å; Y68-V70 VanDerWaalsContact O-N 3.13Å; Y68-E355 HydrophobicContact CD2-CG 4.12Å; Y68-E355 WeakPolarHBondContact CD2-OE1 2.98Å; Y68-E355 HydrophobicContact CE2-CB 4.42Å; Y68-E355 HydrophobicContact CE2-CG 4.01Å; Y68-E355 WeakPolarHBondContact CE2-O 3.26Å; Y68-K357 HydrophobicContact CD1-CB 3.8Å; Y68-K357 HydrophobicContact CD1-CD 3.69Å; Y68-K357 HydrophobicContact CD1-CG 3.42Å; Y68-K357 VanDerWaalsContact CD1-CG 3.42Å; Y68-K357 HydrophobicContact CD2-CB 4.3Å; Y68-K357 HydrophobicContact CD2-CG 4.5Å; Y68-K357 HydrophobicContact CE1-CB 3.42Å; Y68-K357 VanDerWaalsContact CE1-CB 3.42Å; Y68-K357 HydrophobicContact CE1-CD 3.6Å; Y68-K357 HydrophobicContact CE1-CG 3.51Å; Y68-K357 HydrophobicContact CE2-CB 3.93Å; Y68-K357 HydrophobicContact CG-CB 4.23Å; Y68-K357 HydrophobicContact CG-CG 3.95Å; Y68-K357 VanDerWaalsContact CZ-CB 3.46Å; Y68-F370 WeakPolarHBondContact OH-CA 3.25Å; Y68-F370 PolarHBondContact OH-N 2.87Å; Y68-L371 HydrophobicContact CD2-CD1 4.43Å; Y68-L371 HydrophobicContact CE1-CD2 4.37Å; Y68-L371 HydrophobicContact CE1-CG 4.3Å; Y68-L371 HydrophobicContact CE2-CD1 3.99Å; Y68-L371 HydrophobicContact CE2-CG 3.73Å; Y68-L371 WeakPolarHBondContact OH-CG 3.48Å; Y68-L371 PolarHBondContact OH-N 2.9Å; Y68-L371 VanDerWaalsContact OH-N 3.08Å
69	S	62.4	Low	73.1	Confident	25 Å²	25	41.1 Å²	41.1	18%	0.175	22%	0.218	C	C	.	.			trans	-69.2	-3.2	174.6	65.2	0	0	0	0	114.6	D67	D67-S69 VanDerWaalsContact C-N 3.31Å; D67-S69 PolarHBondContact O-N 3.31Å; D67-S69 WeakPolarHBondContact OD1-CA 3.36Å; D67-S69 WeakPolarHBondContact OD1-CB 3.43Å; D67-S69 PolarHBondContact OD1-N 3.44Å; D67-S69 PolarHBondContact OD1-OG 3.31Å
70	V	67.5	Low	72.4	Confident	59 Å²	59	42 Å²	42	36%	0.358	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123	179	-175.8	0	0	0	0	110.5	Y68 V77 Y78 F79	Y68-V70 PolarHBondContact O-N 3.15Å; Y68-V70 VanDerWaalsContact O-N 3.13Å; V70-V77 HydrophobicContact CG1-CG1 3.34Å; V70-Y78 CarbonylContact C-O 3.55Å; V70-Y78 WeakPolarHBondContact CA-O 3.47Å; V70-F79 HydrophobicContact CG2-CB 4.28Å
71	V	74	Confident	71.5	Confident	33 Å²	33	41.1 Å²	41.1	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	116.6	175.1	-179	0	0	0	0	109.6	Y78 I115 L117	V71-Y78 PolarHBondContact N-O 2.71Å; V71-Y78 PolarHBondContact O-N 3.42Å; V71-I115 HydrophobicContact CG2-CB 4.29Å; V71-L117 HydrophobicContact CG1-CD1 3.98Å; V71-L117 HydrophobicContact CG1-CG 4.4Å
72	C	76.1	Confident	70.1	Confident	20 Å²	20	41.7 Å²	41.7	14%	0.135	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.3	179	-70.7	0	0	0	0	112	G360 L361 A362 D363	C72-G360 CarbonylContact O-C 3.54Å; C72-G360 WeakPolarHBondContact O-CA 3.43Å; C72-L361 PolarHBondContact O-N 3.07Å; C72-A362 PolarHBondContact O-N 3.03Å; C72-D363 WeakPolarHBondContact CB-OD1 3.12Å; C72-D363 PolarHBondContact SG-OD1 3.24Å
73	G	77.3	Confident	69.1	Low	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	-84	162.8	165.1	0	0	0	0	0	113.4	H75 H76 K90 E121 A362	G73-H75 VanDerWaalsContact C-N 3.26Å; G73-H75 PolarHBondContact O-N 3.09Å; G73-H76 CarbonylContact C-O 3.52Å; G73-H76 WeakPolarHBondContact CA-O 3.35Å; G73-H76 PolarHBondContact N-O 3.39Å; G73-K90 WeakPolarHBondContact O-CE 3.48Å; G73-K90 PolarHBondContact O-NZ 3.31Å; G73-E121 WeakPolarHBondContact CA-OE1 3.47Å; G73-A362 VanDerWaalsContact C-CB 3.41Å; G73-A362 WeakPolarHBondContact O-CB 3.05Å
74	C	78.4	Confident	68.9	Low	60 Å²	60	39.8 Å²	39.8	41%	0.405	23%	0.229	S	C	.	.	S	Bend	trans	-44.7	-44.5	160.4	-64.5	0	0	0	0	113.8	E121	C74-E121 VanDerWaalsContact CA-OE1 3.26Å; C74-E121 WeakPolarHBondContact CA-OE1 3.48Å; C74-E121 WeakPolarHBondContact CB-OE1 3.41Å; C74-E121 PolarHBondContact N-OE1 2.63Å
75	H	77.1	Confident	69.1	Low	64 Å²	64	37 Å²	37	30%	0.296	21%	0.209	S	C	.	.	S	Bend	trans	-114.1	-33.8	-173.9	-58.8	-37	0	0	0	113.3	G73 K90 E121	G73-H75 VanDerWaalsContact C-N 3.26Å; G73-H75 PolarHBondContact O-N 3.09Å; H75-K90 PolarHBondContact O-N 3.13Å; H75-E121 PolarHBondContact N-OE1 3.36Å
76	H	79.3	Confident	69.2	Low	9 Å²	9	37.5 Å²	37.5	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157.8	-175.4	-55.3	87.2	0	0	0	111.9	G73 Y78 R87 I88 E121	G73-H76 CarbonylContact C-O 3.52Å; G73-H76 WeakPolarHBondContact CA-O 3.35Å; G73-H76 PolarHBondContact N-O 3.39Å; H76-Y78 HydrophobicContact CB-CD2 4.32Å; H76-Y78 HydrophobicContact CB-CE2 3.7Å; H76-R87 HydrophobicContact CB-CB 4.17Å; H76-I88 CarbonylContact C-O 3.59Å; H76-I88 WeakPolarHBondContact CA-O 3.27Å; H76-E121 IonicContact ND1-OE2 3.43Å; H76-E121 PolarHBondContact ND1-OE2 2.96Å
77	V	76.2	Confident	69.8	Low	41 Å²	41	35.6 Å²	35.6	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124	164.9	-179.9	0	0	0	0	107.6	V70 R87 I88 K90	V70-V77 HydrophobicContact CG1-CG1 3.34Å; V77-R87 CarbonylContact O-C 3.59Å; V77-R87 WeakPolarHBondContact O-CA 3.48Å; V77-I88 PolarHBondContact N-O 2.85Å; V77-I88 PolarHBondContact O-N 3.44Å; V77-K90 HydrophobicContact CG2-CG 3.92Å
78	Y	74.8	Confident	70.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.7	179.5	-60.9	-102.9	0	0	0	109.6	V70 V71 H76 I85 Y86 R87 L117 L124 L143	V70-Y78 CarbonylContact C-O 3.55Å; V70-Y78 WeakPolarHBondContact CA-O 3.47Å; V71-Y78 PolarHBondContact N-O 2.71Å; V71-Y78 PolarHBondContact O-N 3.42Å; H76-Y78 HydrophobicContact CB-CD2 4.32Å; H76-Y78 HydrophobicContact CB-CE2 3.7Å; Y78-I85 HydrophobicContact CD1-CG2 4.15Å; Y78-Y86 CarbonylContact C-O 3.44Å; Y78-Y86 VanDerWaalsContact CA-O 3.23Å; Y78-Y86 WeakPolarHBondContact CA-O 3.34Å; Y78-R87 HydrophobicContact CD1-CB 3.8Å; Y78-R87 HydrophobicContact CE1-CB 3.87Å; Y78-R87 HydrophobicContact CG-CB 4.29Å; Y78-L117 HydrophobicContact CD1-CD2 4.48Å; Y78-L117 HydrophobicContact CD2-CD1 3.69Å; Y78-L117 HydrophobicContact CD2-CD2 4.14Å; Y78-L117 HydrophobicContact CD2-CG 4.46Å; Y78-L117 HydrophobicContact CE1-CD2 4.01Å; Y78-L117 HydrophobicContact CE2-CD1 3.52Å; Y78-L117 HydrophobicContact CE2-CD2 3.67Å; Y78-L117 HydrophobicContact CE2-CG 4.24Å; Y78-L124 HydrophobicContact CD1-CD1 3.72Å; Y78-L124 HydrophobicContact CE1-CD1 3.74Å; Y78-L143 HydrophobicContact CE1-CD1 4.49Å; Y78-L143 HydrophobicContact CE1-CD2 4.12Å; Y78-L143 VanDerWaalsContact OH-CD1 3.22Å; Y78-L143 WeakPolarHBondContact OH-CD1 3.48Å
79	F	71.6	Confident	70.9	Confident	30 Å²	30	34.3 Å²	34.3	13%	0.132	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.7	175.7	54.2	-85.4	0	0	0	109.9	V70 K81 Y86 I88 A96	V70-F79 HydrophobicContact CG2-CB 4.28Å; F79-K81 HydrophobicContact CD2-CD 4.28Å; F79-K81 HydrophobicContact CD2-CG 3.95Å; F79-K81 HydrophobicContact CE2-CD 3.83Å; F79-K81 VanDerWaalsContact CE2-CE 3.44Å; F79-K81 HydrophobicContact CE2-CG 4.01Å; F79-Y86 HydrophobicContact CE2-CD2 4.35Å; F79-Y86 AromaticContact CE2-CG 3.84Å; F79-Y86 HydrophobicContact CE2-CG 3.84Å; F79-Y86 HydrophobicContact CZ-CG 4.24Å; F79-Y86 PolarHBondContact N-O 2.8Å; F79-Y86 PolarHBondContact O-N 3.15Å; F79-I88 HydrophobicContact CE1-CD1 3.43Å; F79-I88 VanDerWaalsContact CE1-CD1 3.43Å; F79-I88 HydrophobicContact CE1-CG1 3.71Å; F79-I88 HydrophobicContact CZ-CD1 3.8Å; F79-I88 HydrophobicContact CZ-CG1 4.15Å; F79-A96 HydrophobicContact CZ-CB 4.04Å
80	I	66.6	Low	71.3	Confident	42 Å²	42	37.4 Å²	37.4	22%	0.215	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.5	-179.7	-60.6	165.5	0	0	0	108.2	I112 I115	I80-I112 HydrophobicContact CD1-CB 4.08Å; I80-I112 HydrophobicContact CD1-CG2 3.86Å; I80-I112 HydrophobicContact CG1-CG2 4.4Å; I80-I112 HydrophobicContact CG2-CB 4.37Å; I80-I112 HydrophobicContact CG2-CD1 4.17Å; I80-I112 HydrophobicContact CG2-CG1 4.48Å; I80-I115 HydrophobicContact CD1-CD1 3.75Å; I80-I115 HydrophobicContact CG1-CD1 3.64Å
81	K	62.1	Low	71.2	Confident	92 Å²	92	42.2 Å²	42.2	40%	0.4	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	166.6	162.1	-63.8	-179.9	164.4	173.4	0	109	F79 D83 G84 Y86	F79-K81 HydrophobicContact CD2-CD 4.28Å; F79-K81 HydrophobicContact CD2-CG 3.95Å; F79-K81 HydrophobicContact CE2-CD 3.83Å; F79-K81 VanDerWaalsContact CE2-CE 3.44Å; F79-K81 HydrophobicContact CE2-CG 4.01Å; K81-D83 PolarHBondContact O-N 2.97Å; K81-G84 PolarHBondContact N-O 3.38Å; K81-G84 PolarHBondContact O-N 2.71Å; K81-Y86 HydrophobicContact CB-CD2 3.75Å; K81-Y86 HydrophobicContact CB-CE2 3.55Å; K81-Y86 HydrophobicContact CD-CD2 4Å; K81-Y86 HydrophobicContact CD-CE2 4.05Å; K81-Y86 HydrophobicContact CD-CG 4.36Å; K81-Y86 HydrophobicContact CG-CD2 3.92Å; K81-Y86 HydrophobicContact CG-CE2 4.12Å
82	A	53.3	Low	70.4	Confident	71 Å²	71	45.1 Å²	45.1	59%	0.587	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-19.7	-169.8	0	0	0	0	0	116.3	W21	W21-A82 HydrophobicContact CB-CB 4.16Å
83	D	58.5	Low	69.1	Low	54 Å²	54	55.3 Å²	55.3	29%	0.289	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	8.8	-177	69.5	-22.1	0	0	0	114.4	K81 Y86 R98	K81-D83 PolarHBondContact O-N 2.97Å; D83-Y86 VanDerWaalsContact OD1-CE2 3.23Å; D83-Y86 WeakPolarHBondContact OD1-CE2 3.45Å; D83-Y86 VanDerWaalsContact OD1-CZ 3.28Å; D83-Y86 PolarHBondContact OD1-OH 3.26Å; D83-Y86 PolarHBondContact OD2-OH 3.35Å; D83-Y86 VanDerWaalsContact OD2-OH 3.1Å; D83-R98 VanDerWaalsContact CG-NH2 3.32Å; D83-R98 PolarHBondContact O-NH2 3.17Å; D83-R98 IonicContact OD2-CZ 3.25Å; D83-R98 IonicContact OD2-NE 3.75Å; D83-R98 IonicContact OD2-NH1 3.71Å; D83-R98 PolarHBondContact OD2-NH1 2.8Å; D83-R98 IonicContact OD2-NH2 2.73Å; D83-R98 PolarHBondContact OD2-NH2 2.78Å
84	G	64.7	Low	67.4	Low	2 Å²	2	64.5 Å²	64.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.4	-170.3	172.9	0	0	0	0	0	116.2	K81 Y86 T100	K81-G84 PolarHBondContact N-O 3.38Å; K81-G84 PolarHBondContact O-N 2.71Å; G84-Y86 WeakPolarHBondContact O-CD2 3.4Å; G84-T100 WeakPolarHBondContact CA-O 3.38Å
85	I	72.9	Confident	65.7	Low	1 Å²	1	68.1 Å²	68.1	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.3	176	-54.9	169.7	0	0	0	108.7	Y78 R99 T100 I112 I115 L124 A126	Y78-I85 HydrophobicContact CD1-CG2 4.15Å; I85-R99 PolarHBondContact O-N 3.13Å; I85-T100 WeakPolarHBondContact CB-OG1 3.07Å; I85-T100 HydrophobicContact CD1-CG2 4.33Å; I85-T100 WeakPolarHBondContact CG1-OG1 3.25Å; I85-T100 PolarHBondContact N-OG1 3.37Å; I85-T100 PolarHBondContact O-N 3.06Å; I85-I112 HydrophobicContact CD1-CD1 3.99Å; I85-I112 HydrophobicContact CG1-CD1 3.39Å; I85-I115 HydrophobicContact CD1-CD1 3.6Å; I85-I115 HydrophobicContact CD1-CG1 3.91Å; I85-I115 HydrophobicContact CG1-CD1 3.83Å; I85-I115 HydrophobicContact CG2-CD1 4.16Å; I85-L124 HydrophobicContact CD1-CD1 4.49Å; I85-L124 HydrophobicContact CD1-CD2 3.82Å; I85-L124 HydrophobicContact CG2-CD1 4.32Å; I85-A126 HydrophobicContact CD1-CB 3.76Å
86	Y	71.8	Confident	64.3	Low	33 Å²	33	67.7 Å²	67.7	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	152.9	177.2	-69.5	-99.5	0	0	0	109.8	Y78 F79 K81 D83 G84 E97 R98	Y78-Y86 CarbonylContact C-O 3.44Å; Y78-Y86 VanDerWaalsContact CA-O 3.23Å; Y78-Y86 WeakPolarHBondContact CA-O 3.34Å; F79-Y86 HydrophobicContact CE2-CD2 4.35Å; F79-Y86 AromaticContact CE2-CG 3.84Å; F79-Y86 HydrophobicContact CE2-CG 3.84Å; F79-Y86 HydrophobicContact CZ-CG 4.24Å; F79-Y86 PolarHBondContact N-O 2.8Å; F79-Y86 PolarHBondContact O-N 3.15Å; K81-Y86 HydrophobicContact CB-CD2 3.75Å; K81-Y86 HydrophobicContact CB-CE2 3.55Å; K81-Y86 HydrophobicContact CD-CD2 4Å; K81-Y86 HydrophobicContact CD-CE2 4.05Å; K81-Y86 HydrophobicContact CD-CG 4.36Å; K81-Y86 HydrophobicContact CG-CD2 3.92Å; K81-Y86 HydrophobicContact CG-CE2 4.12Å; D83-Y86 VanDerWaalsContact OD1-CE2 3.23Å; D83-Y86 WeakPolarHBondContact OD1-CE2 3.45Å; D83-Y86 VanDerWaalsContact OD1-CZ 3.28Å; D83-Y86 PolarHBondContact OD1-OH 3.26Å; D83-Y86 PolarHBondContact OD2-OH 3.35Å; D83-Y86 VanDerWaalsContact OD2-OH 3.1Å; G84-Y86 WeakPolarHBondContact O-CD2 3.4Å; Y86-E97 CarbonylContact C-O 3.53Å; Y86-E97 WeakPolarHBondContact CA-O 3.21Å; Y86-R98 HydrophobicContact CD1-CB 3.98Å; Y86-R98 HydrophobicContact CD1-CG 4.36Å; Y86-R98 HydrophobicContact CE1-CB 3.68Å; Y86-R98 HydrophobicContact CE1-CG 3.85Å; Y86-R98 HydrophobicContact CE2-CG 4.42Å
87	R	74.5	Confident	62.8	Low	5 Å²	5	69.5 Å²	69.5	2%	0.019	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148	172.9	76.2	177.3	-169.6	172.6	8.1	111.9	H76 V77 Y78 E97 R99	H76-R87 HydrophobicContact CB-CB 4.17Å; V77-R87 CarbonylContact O-C 3.59Å; V77-R87 WeakPolarHBondContact O-CA 3.48Å; Y78-R87 HydrophobicContact CD1-CB 3.8Å; Y78-R87 HydrophobicContact CE1-CB 3.87Å; Y78-R87 HydrophobicContact CG-CB 4.29Å; R87-E97 HydrophobicContact CG-CB 4.31Å; R87-E97 IonicContact CZ-OE2 3.73Å; R87-E97 PolarHBondContact N-O 3.29Å; R87-E97 IonicContact NE-OE2 3.82Å; R87-E97 PolarHBondContact NE-OE2 3.48Å; R87-E97 IonicContact NH2-OE2 2.82Å; R87-E97 PolarHBondContact NH2-OE2 3.11Å; R87-E97 PolarHBondContact O-N 2.8Å; R87-R99 HydrophobicContact CG-CG 4.07Å; R87-R99 VanDerWaalsContact CZ-CZ 3.46Å; R87-R99 VanDerWaalsContact NH2-CZ 3.27Å
88	I	75.4	Confident	61.4	Low	48 Å²	48	72.4 Å²	72.4	25%	0.246	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.8	171.7	-68	163	0	0	0	108.3	H76 V77 F79 K90 A96	H76-I88 CarbonylContact C-O 3.59Å; H76-I88 WeakPolarHBondContact CA-O 3.27Å; V77-I88 PolarHBondContact N-O 2.85Å; V77-I88 PolarHBondContact O-N 3.44Å; F79-I88 HydrophobicContact CE1-CD1 3.43Å; F79-I88 VanDerWaalsContact CE1-CD1 3.43Å; F79-I88 HydrophobicContact CE1-CG1 3.71Å; F79-I88 HydrophobicContact CZ-CD1 3.8Å; F79-I88 HydrophobicContact CZ-CG1 4.15Å; I88-K90 PolarHBondContact O-N 3.28Å; I88-A96 HydrophobicContact CD1-CB 4.11Å; I88-A96 HydrophobicContact CG1-CB 3.73Å
89	D	74.8	Confident	60.2	Low	31 Å²	31	72.9 Å²	72.9	17%	0.166	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.6	171	-172.9	-44.9	0	0	0	109	R91 D92	D89-R91 PolarHBondContact O-N 2.8Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 PolarHBondContact OD1-N 2.84Å; D89-R91 IonicContact OD1-NE 3.64Å; D89-D92 CarbonylContact O-C 3.57Å; D89-D92 PolarHBondContact O-N 3.11Å
90	K	70.9	Confident	58.9	Low	90 Å²	90	72.1 Å²	72.1	39%	0.391	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	179.8	-77.1	-178.3	164.4	-178	0	113.9	G73 H75 V77 I88	G73-K90 WeakPolarHBondContact O-CE 3.48Å; G73-K90 PolarHBondContact O-NZ 3.31Å; H75-K90 PolarHBondContact O-N 3.13Å; V77-K90 HydrophobicContact CG2-CG 3.92Å; I88-K90 PolarHBondContact O-N 3.28Å
91	R	65.6	Low	57.6	Low	161 Å²	161	77.7 Å²	77.7	61%	0.608	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.6	179.3	-67.4	-177	-73.9	178.4	7.5	113.6	D89 R146	D89-R91 PolarHBondContact O-N 2.8Å; D89-R91 WeakPolarHBondContact OD1-CB 3.43Å; D89-R91 PolarHBondContact OD1-N 2.84Å; D89-R91 IonicContact OD1-NE 3.64Å; R91-R146 VanDerWaalsContact CZ-CZ 3.48Å; R91-R146 VanDerWaalsContact NH2-NH2 3.15Å
92	D	57.2	Low	56.8	Low	93 Å²	93	74.5 Å²	74.5	50%	0.497	35%	0.348	S	S	.	.			trans	-119.7	87.3	-174.8	-149.7	-13.8	0	0	0	110.6	D89 K94	D89-D92 CarbonylContact O-C 3.57Å; D89-D92 PolarHBondContact O-N 3.11Å; D92-K94 PolarHBondContact O-N 2.97Å
93	R	48.5	Very low	55.9	Low	234 Å²	234	76.4 Å²	76.4	88%	0.883	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	5.5	-175.1	-73.6	-172.3	174.2	-171.2	-2.5	114.5
94	K	41.8	Very low	54.9	Low	193 Å²	193	82.7 Å²	82.7	84%	0.839	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-9.4	-168.4	-71.4	-170.4	177.2	-177.6	0	116.6	D92	D92-K94 PolarHBondContact O-N 2.97Å
95	Q	42.9	Very low	53.2	Low	137 Å²	137	90.1 Å²	90.1	64%	0.64	40%	0.399	S	S	*	.			trans	-129.7	115.9	177.2	-83.7	-179.9	-8.8	0	0	112.5
96	A	46.5	Very low	51.5	Low	55 Å²	55	93.2 Å²	93.2	46%	0.455	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.9	169.3	0	0	0	0	0	109.7	F79 I88	F79-A96 HydrophobicContact CZ-CB 4.04Å; I88-A96 HydrophobicContact CD1-CB 4.11Å; I88-A96 HydrophobicContact CG1-CB 3.73Å
97	E	48.4	Very low	50.3	Low	47 Å²	47	103.6 Å²	103.6	22%	0.22	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.1	175.2	-68	-176.3	164.4	0	0	110.4	Y86 R87 R99 S149	Y86-E97 CarbonylContact C-O 3.53Å; Y86-E97 WeakPolarHBondContact CA-O 3.21Å; R87-E97 HydrophobicContact CG-CB 4.31Å; R87-E97 IonicContact CZ-OE2 3.73Å; R87-E97 PolarHBondContact N-O 3.29Å; R87-E97 IonicContact NE-OE2 3.82Å; R87-E97 PolarHBondContact NE-OE2 3.48Å; R87-E97 IonicContact NH2-OE2 2.82Å; R87-E97 PolarHBondContact NH2-OE2 3.11Å; R87-E97 PolarHBondContact O-N 2.8Å; E97-R99 IonicContact OE2-CZ 3.16Å; E97-R99 IonicContact OE2-NE 3.12Å; E97-R99 IonicContact OE2-NH2 2.74Å; E97-R99 PolarHBondContact OE2-NH2 2.83Å; E97-S149 WeakPolarHBondContact OE1-CA 3.35Å
98	R	47.1	Very low	49.1	Very low	102 Å²	102	106.4 Å²	106.4	39%	0.385	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.3	176.7	-174	179.1	174.2	164.8	5.8	110.6	D83 Y86	D83-R98 VanDerWaalsContact CG-NH2 3.32Å; D83-R98 PolarHBondContact O-NH2 3.17Å; D83-R98 IonicContact OD2-CZ 3.25Å; D83-R98 IonicContact OD2-NE 3.75Å; D83-R98 IonicContact OD2-NH1 3.71Å; D83-R98 PolarHBondContact OD2-NH1 2.8Å; D83-R98 IonicContact OD2-NH2 2.73Å; D83-R98 PolarHBondContact OD2-NH2 2.78Å; Y86-R98 HydrophobicContact CD1-CB 3.98Å; Y86-R98 HydrophobicContact CD1-CG 4.36Å; Y86-R98 HydrophobicContact CE1-CB 3.68Å; Y86-R98 HydrophobicContact CE1-CG 3.85Å; Y86-R98 HydrophobicContact CE2-CG 4.42Å
99	R	49	Very low	48.8	Very low	9 Å²	9	107.6 Å²	107.6	3%	0.034	49%	0.492	C	S	.	.			trans	-121.6	-25.6	-173.5	-69.7	-68.5	170.8	168.8	-12.7	116	I85 R87 E97 Y155	I85-R99 PolarHBondContact O-N 3.13Å; R87-R99 HydrophobicContact CG-CG 4.07Å; R87-R99 VanDerWaalsContact CZ-CZ 3.46Å; R87-R99 VanDerWaalsContact NH2-CZ 3.27Å; E97-R99 IonicContact OE2-CZ 3.16Å; E97-R99 IonicContact OE2-NE 3.12Å; E97-R99 IonicContact OE2-NH2 2.74Å; E97-R99 PolarHBondContact OE2-NH2 2.83Å; R99-Y155 WeakPolarHBondContact O-CE2 3.36Å
100	T	43.9	Very low	48.5	Very low	15 Å²	15	108.3 Å²	108.3	9%	0.092	49%	0.492	C	S	.	.			trans	-128.1	148.4	171.7	55.2	0	0	0	0	110.6	G84 I85 V141	G84-T100 WeakPolarHBondContact CA-O 3.38Å; I85-T100 WeakPolarHBondContact CB-OG1 3.07Å; I85-T100 HydrophobicContact CD1-CG2 4.33Å; I85-T100 WeakPolarHBondContact CG1-OG1 3.25Å; I85-T100 PolarHBondContact N-OG1 3.37Å; I85-T100 PolarHBondContact O-N 3.06Å; T100-V141 HydrophobicContact CG2-CG2 3.88Å
101	R	40.5	Very low	48.5	Very low	158 Å²	158	104.7 Å²	104.7	60%	0.596	48%	0.478	S	S	*	.			trans	-114.1	118.9	164.9	178.3	176.5	-178.9	-169.4	-2.5	105.5	E103	R101-E103 PolarHBondContact O-N 3.06Å
102	A	43.7	Very low	48.9	Very low	25 Å²	25	98.3 Å²	98.3	21%	0.207	46%	0.456	C	S	.	.			trans	-63.9	117.1	158.9	0	0	0	0	0	105.7	R104	A102-R104 PolarHBondContact O-N 3.06Å; A102-R104 VanDerWaalsContact O-N 3.14Å
103	E	35.6	Very low	49.6	Very low	112 Å²	112	97.6 Å²	97.6	52%	0.523	45%	0.449	S	S	.	.			trans	-54.1	123.4	-179.6	-72.4	-173.9	150.7	0	0	109.5	R101 E105	R101-E103 PolarHBondContact O-N 3.06Å; E103-E105 PolarHBondContact O-N 3.47Å
104	R	37.2	Very low	51	Low	186 Å²	186	88.4 Å²	88.4	70%	0.702	42%	0.415	S	S	*	.			trans	-91.4	60.2	161.9	-79.8	-172.8	176.9	-174.7	-1.6	107.2	A102	A102-R104 PolarHBondContact O-N 3.06Å; A102-R104 VanDerWaalsContact O-N 3.14Å
105	E	28	Very low	53	Low	157 Å²	157	79.7 Å²	79.7	73%	0.734	38%	0.377	S	S	*	.			trans	-103	109.1	167.1	-75.4	-160	161.5	0	0	108.3	E103	E103-E105 PolarHBondContact O-N 3.47Å
106	G	38.3	Very low	55	Low	67 Å²	67	75.5 Å²	75.5	69%	0.691	36%	0.355	S	S	*	.	S	Bend	trans	77.5	173.3	-177.5	0	0	0	0	0	114.4	V108	G106-V108 PolarHBondContact O-N 2.83Å
107	R	45.5	Very low	57	Low	251 Å²	251	73.7 Å²	73.7	95%	0.947	34%	0.338	S	S	*	.	S	Bend	trans	-67.2	14.1	-172.4	-64.1	-179.8	-176.5	179.4	-0.2	115.2
108	V	51	Low	59	Low	63 Å²	63	71.4 Å²	71.4	38%	0.382	33%	0.328	S	S	.	.			trans	-102.1	117.9	-172.9	-175.2	0	0	0	0	110.2	G106 W110 C130	G106-V108 PolarHBondContact O-N 2.83Å; V108-W110 HydrophobicContact CG1-CZ2 4.34Å; V108-C130 VanDerWaalsContact CG1-SG 3.56Å
109	Q	67.5	Low	61	Low	74 Å²	74	69 Å²	69	35%	0.346	33%	0.325	S	S	.	.			trans	-95.4	134.5	177.7	-170.8	172.9	-23.4	0	0	110.1	C131	Q109-C131 HydrophobicContact CB-CB 4.28Å; Q109-C131 PolarHBondContact O-N 3.07Å; Q109-C131 PolarHBondContact O-SG 3.35Å; Q109-C131 VanDerWaalsContact O-SG 3.36Å
110	W	70.3	Confident	62.7	Low	45 Å²	45	75.9 Å²	75.9	17%	0.17	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.4	179.8	-65.5	86.1	0	0	0	110.7	V108 L128 K129 C130 E135 K137	V108-W110 HydrophobicContact CG1-CZ2 4.34Å; W110-L128 HydrophobicContact CB-CB 4.47Å; W110-L128 HydrophobicContact CD2-CB 4.46Å; W110-L128 HydrophobicContact CE3-CB 3.79Å; W110-K129 CarbonylContact C-O 3.14Å; W110-K129 VanDerWaalsContact CA-O 3.26Å; W110-K129 WeakPolarHBondContact CA-O 3.38Å; W110-K129 VanDerWaalsContact CE3-C 3.42Å; W110-C130 HydrophobicContact CE3-CB 4.23Å; W110-C130 HydrophobicContact CH2-CB 4.08Å; W110-C130 HydrophobicContact CZ2-CB 4.49Å; W110-C130 HydrophobicContact CZ3-CB 3.96Å; W110-E135 HydrophobicContact CH2-CB 4.49Å; W110-K137 HydrophobicContact CH2-CD 3.62Å; W110-K137 HydrophobicContact CH2-CG 3.81Å; W110-K137 HydrophobicContact CZ2-CD 3.96Å; W110-K137 HydrophobicContact CZ3-CB 4.32Å; W110-K137 HydrophobicContact CZ3-CD 4Å; W110-K137 HydrophobicContact CZ3-CG 3.87Å
111	T	70.2	Confident	64.7	Low	15 Å²	15	75.8 Å²	75.8	9%	0.092	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.5	174.1	53	0	0	0	0	111.1	Q113 L128 K129 E662	T111-Q113 PolarHBondContact OG1-NE2 3.48Å; T111-L128 CarbonylContact O-C 3.56Å; T111-L128 WeakPolarHBondContact O-CA 3.39Å; T111-K129 PolarHBondContact N-O 3.12Å; T111-K129 PolarHBondContact O-N 3.12Å; T111-K129 PolarHBondContact OG1-O 2.9Å; T111-E662 WeakPolarHBondContact CG2-OE2 3.5Å; T111-E662 PolarHBondContact OG1-OE2 2.91Å; T111-E662 VanDerWaalsContact OG1-OE2 3.05Å
112	I	73.9	Confident	66.9	Low	27 Å²	27	72.5 Å²	72.5	14%	0.138	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120	178.3	-53.1	-171.4	0	0	0	108.4	I80 I85 I115 A126 T127 L128	I80-I112 HydrophobicContact CD1-CB 4.08Å; I80-I112 HydrophobicContact CD1-CG2 3.86Å; I80-I112 HydrophobicContact CG1-CG2 4.4Å; I80-I112 HydrophobicContact CG2-CB 4.37Å; I80-I112 HydrophobicContact CG2-CD1 4.17Å; I80-I112 HydrophobicContact CG2-CG1 4.48Å; I85-I112 HydrophobicContact CD1-CD1 3.99Å; I85-I112 HydrophobicContact CG1-CD1 3.39Å; I112-I115 HydrophobicContact CG2-CD1 4.18Å; I112-I115 HydrophobicContact CG2-CG1 3.92Å; I112-A126 HydrophobicContact CG2-CB 4.46Å; I112-T127 WeakPolarHBondContact CA-O 3.49Å; I112-L128 HydrophobicContact CB-CD2 4.48Å; I112-L128 HydrophobicContact CD1-CD2 4.44Å; I112-L128 HydrophobicContact CG1-CD2 3.75Å
113	Q	71.6	Confident	69	Low	77 Å²	77	71.3 Å²	71.3	36%	0.36	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-36.6	-175.9	-66.5	-64.8	-36.8	0	0	112.8	T111 T127 K129	T111-Q113 PolarHBondContact OG1-NE2 3.48Å; Q113-T127 HydrophobicContact CB-CG2 4.31Å; Q113-T127 PolarHBondContact N-O 3.29Å; Q113-K129 HydrophobicContact CG-CB 3.52Å; Q113-K129 HydrophobicContact CG-CD 4.45Å
114	R	78.1	Confident	71.6	Confident	42 Å²	42	66.1 Å²	66.1	16%	0.158	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.2	-173	-176.9	172.7	-74.3	166	-8.4	110.6	A126 T127 F164 F166	R114-A126 CarbonylContact O-C 3.59Å; R114-A126 WeakPolarHBondContact O-CA 3.44Å; R114-T127 PolarHBondContact O-N 3.46Å; R114-F164 PolarHBondContact NH1-O 2.81Å; R114-F166 HydrophobicContact CB-CZ 4.48Å; R114-F166 HydrophobicContact CG-CZ 4.15Å
115	I	82.9	Confident	74.1	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.051	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.9	172.2	-59.1	172.7	0	0	0	108.8	V71 I80 I85 I112 L124 A125 A126	V71-I115 HydrophobicContact CG2-CB 4.29Å; I80-I115 HydrophobicContact CD1-CD1 3.75Å; I80-I115 HydrophobicContact CG1-CD1 3.64Å; I85-I115 HydrophobicContact CD1-CD1 3.6Å; I85-I115 HydrophobicContact CD1-CG1 3.91Å; I85-I115 HydrophobicContact CG1-CD1 3.83Å; I85-I115 HydrophobicContact CG2-CD1 4.16Å; I112-I115 HydrophobicContact CG2-CD1 4.18Å; I112-I115 HydrophobicContact CG2-CG1 3.92Å; I115-L124 HydrophobicContact CG2-CD1 3.91Å; I115-L124 HydrophobicContact CG2-CD2 4.26Å; I115-L124 HydrophobicContact CG2-CG 3.94Å; I115-A125 WeakPolarHBondContact CA-O 3.08Å; I115-A126 HydrophobicContact CG1-CB 4.19Å
116	R	86.4	Confident	76.9	Confident	48 Å²	48	49.8 Å²	49.8	18%	0.181	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.1	166.1	-61.4	-69.2	-174	-91	-6.9	111.2	L124 A125 F166 E167 W168	R116-L124 WeakPolarHBondContact O-CA 3.37Å; R116-A125 PolarHBondContact N-O 2.83Å; R116-A125 PolarHBondContact O-N 2.9Å; R116-F166 HydrophobicContact CB-CD2 4.13Å; R116-F166 HydrophobicContact CB-CE2 3.66Å; R116-F166 HydrophobicContact CG-CD2 3.88Å; R116-F166 HydrophobicContact CG-CE2 3.52Å; R116-E167 VanDerWaalsContact CD-OE2 3.27Å; R116-E167 WeakPolarHBondContact CD-OE2 3.32Å; R116-E167 IonicContact CZ-OE1 3.18Å; R116-E167 VanDerWaalsContact NE-CD 3.31Å; R116-E167 IonicContact NE-OE1 2.72Å; R116-E167 PolarHBondContact NE-OE1 3.45Å; R116-E167 IonicContact NE-OE2 2.97Å; R116-E167 PolarHBondContact NE-OE2 3.24Å; R116-E167 IonicContact NH2-OE1 3.65Å; R116-E167 PolarHBondContact NH2-OE1 3.05Å; R116-W168 PolarHBondContact O-NE1 2.93Å
117	L	88.7	Confident	79.1	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	141	172	-64.4	169.8	0	0	0	108.9	V71 Y78 L124 L143 L361	V71-L117 HydrophobicContact CG1-CD1 3.98Å; V71-L117 HydrophobicContact CG1-CG 4.4Å; Y78-L117 HydrophobicContact CD1-CD2 4.48Å; Y78-L117 HydrophobicContact CD2-CD1 3.69Å; Y78-L117 HydrophobicContact CD2-CD2 4.14Å; Y78-L117 HydrophobicContact CD2-CG 4.46Å; Y78-L117 HydrophobicContact CE1-CD2 4.01Å; Y78-L117 HydrophobicContact CE2-CD1 3.52Å; Y78-L117 HydrophobicContact CE2-CD2 3.67Å; Y78-L117 HydrophobicContact CE2-CG 4.24Å; L117-L124 HydrophobicContact CD2-CB 4.14Å; L117-L124 HydrophobicContact CD2-CD1 3.88Å; L117-L124 HydrophobicContact CD2-CG 4.18Å; L117-L143 HydrophobicContact CD2-CD1 3.88Å; L117-L361 HydrophobicContact CB-CD1 3.32Å; L117-L361 HydrophobicContact CB-CG 4.36Å; L117-L361 HydrophobicContact CD1-CD1 3.85Å; L117-L361 HydrophobicContact CG-CD1 4.23Å
118	S	90.4	Very high	80.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.			trans	-69.5	158.2	171.5	79.2	0	0	0	0	111.1	H120 E121 K122 H123 D171 L361	S118-H120 VanDerWaalsContact C-N 3.29Å; S118-H120 PolarHBondContact O-N 2.86Å; S118-H120 VanDerWaalsContact O-N 3.12Å; S118-E121 PolarHBondContact O-N 3.35Å; S118-K122 PolarHBondContact OG-N 2.82Å; S118-H123 PolarHBondContact N-O 3.35Å; S118-H123 PolarHBondContact OG-N 3.13Å; S118-H123 PolarHBondContact OG-O 3.11Å; S118-D171 WeakPolarHBondContact CB-OD1 3.4Å; S118-D171 PolarHBondContact OG-OD1 2.94Å; S118-L361 WeakPolarHBondContact O-CD1 3.33Å
119	P	87.5	Confident	82.1	Confident	51 Å²	51	33 Å²	33	33%	0.331	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.8	-170.2	-30.3	36.8	0	0	0	116.1
120	H	86.2	Confident	82.4	Confident	154 Å²	154	29.7 Å²	29.7	71%	0.713	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	20.1	177.1	-61	-48.2	0	0	0	113.3	S118 K122 D171	S118-H120 VanDerWaalsContact C-N 3.29Å; S118-H120 PolarHBondContact O-N 2.86Å; S118-H120 VanDerWaalsContact O-N 3.12Å; H120-K122 PolarHBondContact O-N 3.35Å; H120-D171 VanDerWaalsContact CB-OD2 3.25Å; H120-D171 WeakPolarHBondContact CB-OD2 3.41Å; H120-D171 IonicContact CD2-OD2 2.71Å; H120-D171 PolarHBondContact CD2-OD2 3.38Å; H120-D171 IonicContact CG-OD2 3.89Å; H120-D171 VanDerWaalsContact CG-OD2 3.27Å; H120-D171 PolarHBondContact N-OD1 2.91Å; H120-D171 PolarHBondContact N-OD2 3.23Å; H120-D171 IonicContact NE2-OD2 2.82Å
121	E	85.6	Confident	82.3	Confident	13 Å²	13	27.7 Å²	27.7	6%	0.061	13%	0.133	C	C	.	.	S	Bend	trans	54.2	31.4	-175.6	-60.9	-175.8	-169.9	0	0	114	G73 C74 H75 H76 S118 L143 L361	G73-E121 WeakPolarHBondContact CA-OE1 3.47Å; C74-E121 VanDerWaalsContact CA-OE1 3.26Å; C74-E121 WeakPolarHBondContact CA-OE1 3.48Å; C74-E121 WeakPolarHBondContact CB-OE1 3.41Å; C74-E121 PolarHBondContact N-OE1 2.63Å; H75-E121 PolarHBondContact N-OE1 3.36Å; H76-E121 IonicContact ND1-OE2 3.43Å; H76-E121 PolarHBondContact ND1-OE2 2.96Å; S118-E121 PolarHBondContact O-N 3.35Å; E121-L143 HydrophobicContact CB-CD1 4.25Å; E121-L143 VanDerWaalsContact O-CB 3.29Å; E121-L143 WeakPolarHBondContact O-CB 3.33Å; E121-L143 WeakPolarHBondContact O-CD1 3.43Å; E121-L361 HydrophobicContact CG-CD1 3.84Å
122	K	86.4	Confident	82	Confident	88 Å²	88	30.3 Å²	30.3	38%	0.383	14%	0.144	S	C	.	.	S	Bend	trans	-71.1	-37	174.2	-168.4	-176.8	179.2	-173.9	0	111.5	S118 H120 L143 D171 D172	S118-K122 PolarHBondContact OG-N 2.82Å; H120-K122 PolarHBondContact O-N 3.35Å; K122-L143 PolarHBondContact O-N 3.21Å; K122-D171 HydrophobicContact CB-CB 4.04Å; K122-D171 HydrophobicContact CD-CB 3.98Å; K122-D172 VanDerWaalsContact NZ-CG 3.25Å; K122-D172 IonicContact NZ-OD1 2.69Å; K122-D172 PolarHBondContact NZ-OD1 3.03Å; K122-D172 IonicContact NZ-OD2 3Å; K122-D172 PolarHBondContact NZ-OD2 2.92Å
123	H	88.6	Confident	81.8	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.8	-176.4	-56.1	109.9	0	0	0	112.1	S118 V141 L157 W168 D171 D172	S118-H123 PolarHBondContact N-O 3.35Å; S118-H123 PolarHBondContact OG-N 3.13Å; S118-H123 PolarHBondContact OG-O 3.11Å; H123-V141 CarbonylContact C-O 3.53Å; H123-V141 VanDerWaalsContact CA-O 3.25Å; H123-V141 WeakPolarHBondContact CA-O 3.24Å; H123-L157 WeakPolarHBondContact CD2-CD1 3.19Å; H123-L157 WeakPolarHBondContact NE2-CD1 3.36Å; H123-W168 HydrophobicContact CB-CH2 3.38Å; H123-W168 HydrophobicContact CB-CZ2 3.49Å; H123-W168 VanDerWaalsContact CB-CZ2 3.49Å; H123-W168 HydrophobicContact CB-CZ3 4.22Å; H123-W168 AromaticContact CG-CH2 3.94Å; H123-D171 PolarHBondContact CE1-O 3.36Å; H123-D171 PolarHBondContact ND1-O 3.13Å; H123-D172 IonicContact CE1-OD1 3.44Å; H123-D172 PolarHBondContact CE1-OD1 3.09Å
124	L	89.4	Confident	81.8	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.5	171.4	179.8	153.4	0	0	0	108.3	Y78 I85 I115 R116 L117 A126 V140 V141 L143	Y78-L124 HydrophobicContact CD1-CD1 3.72Å; Y78-L124 HydrophobicContact CE1-CD1 3.74Å; I85-L124 HydrophobicContact CD1-CD1 4.49Å; I85-L124 HydrophobicContact CD1-CD2 3.82Å; I85-L124 HydrophobicContact CG2-CD1 4.32Å; I115-L124 HydrophobicContact CG2-CD1 3.91Å; I115-L124 HydrophobicContact CG2-CD2 4.26Å; I115-L124 HydrophobicContact CG2-CG 3.94Å; R116-L124 WeakPolarHBondContact O-CA 3.37Å; L117-L124 HydrophobicContact CD2-CB 4.14Å; L117-L124 HydrophobicContact CD2-CD1 3.88Å; L117-L124 HydrophobicContact CD2-CG 4.18Å; L124-A126 HydrophobicContact CD2-CB 3.99Å; L124-V140 WeakPolarHBondContact O-CA 3.48Å; L124-V141 PolarHBondContact N-O 3.27Å; L124-V141 PolarHBondContact O-N 3.08Å; L124-L143 HydrophobicContact CB-CD1 4.06Å; L124-L143 HydrophobicContact CB-CD2 4.05Å; L124-L143 HydrophobicContact CB-CG 4.1Å
125	A	89.4	Confident	81.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137	169.9	0	0	0	0	0	109.3	I115 R116 V139 V140 F166 W168 L174	I115-A125 WeakPolarHBondContact CA-O 3.08Å; R116-A125 PolarHBondContact N-O 2.83Å; R116-A125 PolarHBondContact O-N 2.9Å; A125-V139 WeakPolarHBondContact CA-O 3.44Å; A125-V140 HydrophobicContact CB-CG2 4.41Å; A125-F166 HydrophobicContact CB-CD2 3.9Å; A125-F166 HydrophobicContact CB-CE2 3.47Å; A125-F166 VanDerWaalsContact CB-CE2 3.47Å; A125-F166 HydrophobicContact CB-CZ 3.88Å; A125-F166 WeakPolarHBondContact O-CZ 3.49Å; A125-W168 HydrophobicContact CB-CZ2 3.98Å; A125-L174 HydrophobicContact CB-CD1 4.46Å; A125-L174 HydrophobicContact CB-CD2 4.48Å
126	A	86.2	Confident	81.9	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.3	177.5	0	0	0	0	0	113	I85 I112 R114 I115 L124 C138 V139	I85-A126 HydrophobicContact CD1-CB 3.76Å; I112-A126 HydrophobicContact CG2-CB 4.46Å; R114-A126 CarbonylContact O-C 3.59Å; R114-A126 WeakPolarHBondContact O-CA 3.44Å; I115-A126 HydrophobicContact CG1-CB 4.19Å; L124-A126 HydrophobicContact CD2-CB 3.99Å; A126-C138 VanDerWaalsContact O-CA 3.3Å; A126-C138 WeakPolarHBondContact O-CA 3.43Å; A126-V139 HydrophobicContact CB-CG2 4.05Å; A126-V139 PolarHBondContact N-O 2.92Å; A126-V139 PolarHBondContact O-N 2.77Å
127	T	84.4	Confident	81.9	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	169.9	-53	0	0	0	0	109.9	I112 Q113 R114 L136 K137 F166	I112-T127 WeakPolarHBondContact CA-O 3.49Å; Q113-T127 HydrophobicContact CB-CG2 4.31Å; Q113-T127 PolarHBondContact N-O 3.29Å; R114-T127 PolarHBondContact O-N 3.46Å; T127-L136 HydrophobicContact CG2-CB 4.37Å; T127-L136 HydrophobicContact CG2-CD2 3.98Å; T127-K137 CarbonylContact C-O 3.42Å; T127-K137 VanDerWaalsContact CA-O 3.3Å; T127-K137 WeakPolarHBondContact CA-O 3.47Å; T127-F166 WeakPolarHBondContact OG1-CE1 3.35Å
128	L	82.1	Confident	81.9	Confident	22 Å²	22	32.4 Å²	32.4	12%	0.115	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.6	169.5	-51.8	179.2	0	0	0	108.6	W110 T111 I112 L136 K137 V139	W110-L128 HydrophobicContact CB-CB 4.47Å; W110-L128 HydrophobicContact CD2-CB 4.46Å; W110-L128 HydrophobicContact CE3-CB 3.79Å; T111-L128 CarbonylContact O-C 3.56Å; T111-L128 WeakPolarHBondContact O-CA 3.39Å; I112-L128 HydrophobicContact CB-CD2 4.48Å; I112-L128 HydrophobicContact CD1-CD2 4.44Å; I112-L128 HydrophobicContact CG1-CD2 3.75Å; L128-L136 CarbonylContact O-C 3.53Å; L128-L136 WeakPolarHBondContact O-CA 3.48Å; L128-K137 HydrophobicContact CB-CB 4.42Å; L128-K137 PolarHBondContact N-O 3.06Å; L128-K137 PolarHBondContact O-N 3.1Å; L128-V139 HydrophobicContact CD1-CG1 3.88Å; L128-V139 HydrophobicContact CD1-CG2 4.39Å; L128-V139 HydrophobicContact CG-CG2 4.49Å
129	K	77.7	Confident	81.8	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.7	172.7	-176.3	-176.8	-176.5	-173.9	0	110.1	W110 T111 Q113 E134 E135 L136 N657	W110-K129 CarbonylContact C-O 3.14Å; W110-K129 VanDerWaalsContact CA-O 3.26Å; W110-K129 WeakPolarHBondContact CA-O 3.38Å; W110-K129 VanDerWaalsContact CE3-C 3.42Å; T111-K129 PolarHBondContact N-O 3.12Å; T111-K129 PolarHBondContact O-N 3.12Å; T111-K129 PolarHBondContact OG1-O 2.9Å; Q113-K129 HydrophobicContact CG-CB 3.52Å; Q113-K129 HydrophobicContact CG-CD 4.45Å; K129-E134 WeakPolarHBondContact CE-OE2 3.35Å; K129-E134 VanDerWaalsContact NZ-CD 3.3Å; K129-E134 IonicContact NZ-OE1 3.65Å; K129-E134 PolarHBondContact NZ-OE1 2.95Å; K129-E134 IonicContact NZ-OE2 3.27Å; K129-E134 PolarHBondContact NZ-OE2 3.21Å; K129-E135 WeakPolarHBondContact CA-O 3.36Å; K129-L136 HydrophobicContact CB-CD2 3.7Å; K129-L136 HydrophobicContact CD-CD2 4.42Å; K129-L136 HydrophobicContact CG-CD2 3.81Å; K129-N657 PolarHBondContact NZ-ND2 2.8Å
130	C	74.1	Confident	81.8	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	134.1	172.1	-179.6	0	0	0	0	110.5	V108 W110 H132 T133 E135	V108-C130 VanDerWaalsContact CG1-SG 3.56Å; W110-C130 HydrophobicContact CE3-CB 4.23Å; W110-C130 HydrophobicContact CH2-CB 4.08Å; W110-C130 HydrophobicContact CZ2-CB 4.49Å; W110-C130 HydrophobicContact CZ3-CB 3.96Å; C130-H132 PolarHBondContact O-N 3.31Å; C130-H132 VanDerWaalsContact O-N 3.12Å; C130-T133 VanDerWaalsContact CB-OG1 3.25Å; C130-T133 WeakPolarHBondContact CB-OG1 3.42Å; C130-T133 PolarHBondContact SG-OG1 3.29Å; C130-E135 HydrophobicContact CB-CB 4.18Å; C130-E135 PolarHBondContact N-O 3.39Å
131	C	67.4	Low	81.8	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.027	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.2	179.9	-72	0	0	0	0	114.7	Q109 E662	Q109-C131 HydrophobicContact CB-CB 4.28Å; Q109-C131 PolarHBondContact O-N 3.07Å; Q109-C131 PolarHBondContact O-SG 3.35Å; Q109-C131 VanDerWaalsContact O-SG 3.36Å; C131-E662 HydrophobicContact CB-CB 4.2Å; C131-E662 PolarHBondContact SG-OE2 3Å
132	H	65.8	Low	81.7	Confident	70 Å²	70	28.2 Å²	28.2	32%	0.324	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-12	-170	-58.6	-50.8	0	0	0	113.8	C130 G655	C130-H132 PolarHBondContact O-N 3.31Å; C130-H132 VanDerWaalsContact O-N 3.12Å; H132-G655 CarbonylContact C-O 3.48Å; H132-G655 WeakPolarHBondContact CA-O 3.23Å; H132-G655 VanDerWaalsContact CB-O 3.24Å; H132-G655 WeakPolarHBondContact CB-O 3.37Å
133	T	69.5	Low	81.4	Confident	48 Å²	48	24.6 Å²	24.6	29%	0.294	12%	0.116	S	C	.	.	S	Bend	trans	-139.5	164.6	-176.8	61.4	0	0	0	0	109.5	C130 E135	C130-T133 VanDerWaalsContact CB-OG1 3.25Å; C130-T133 WeakPolarHBondContact CB-OG1 3.42Å; C130-T133 PolarHBondContact SG-OG1 3.29Å; T133-E135 PolarHBondContact O-N 3.11Å; T133-E135 WeakPolarHBondContact OG1-CB 3.49Å; T133-E135 WeakPolarHBondContact OG1-CG 3.27Å; T133-E135 PolarHBondContact OG1-N 2.97Å
134	E	71.6	Confident	80.4	Confident	33 Å²	33	25.3 Å²	25.3	15%	0.154	12%	0.124	C	C	.	.	S	Bend	trans	-80.8	20.2	170.9	-67.5	-63.2	144.8	0	0	112.1	K129 L182 P612 N657	K129-E134 WeakPolarHBondContact CE-OE2 3.35Å; K129-E134 VanDerWaalsContact NZ-CD 3.3Å; K129-E134 IonicContact NZ-OE1 3.65Å; K129-E134 PolarHBondContact NZ-OE1 2.95Å; K129-E134 IonicContact NZ-OE2 3.27Å; K129-E134 PolarHBondContact NZ-OE2 3.21Å; E134-L182 HydrophobicContact CB-CD2 4.46Å; E134-L182 HydrophobicContact CG-CD2 4.28Å; E134-P612 HydrophobicContact CG-CG 3.92Å; E134-N657 WeakPolarHBondContact OE1-CB 3.48Å
135	E	78.4	Confident	79.3	Confident	114 Å²	114	32.9 Å²	32.9	53%	0.533	16%	0.159	S	C	.	.			trans	-72	133.4	178.1	-70.1	176.7	-174.6	0	0	111.3	W110 K129 C130 T133	W110-E135 HydrophobicContact CH2-CB 4.49Å; K129-E135 WeakPolarHBondContact CA-O 3.36Å; C130-E135 HydrophobicContact CB-CB 4.18Å; C130-E135 PolarHBondContact N-O 3.39Å; T133-E135 PolarHBondContact O-N 3.11Å; T133-E135 WeakPolarHBondContact OG1-CB 3.49Å; T133-E135 WeakPolarHBondContact OG1-CG 3.27Å; T133-E135 PolarHBondContact OG1-N 2.97Å
136	L	83.9	Confident	77.7	Confident	15 Å²	15	38 Å²	38	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.3	-179.6	-60.4	173.4	0	0	0	110.6	T127 L128 K129 S162 F164 L179	T127-L136 HydrophobicContact CG2-CB 4.37Å; T127-L136 HydrophobicContact CG2-CD2 3.98Å; L128-L136 CarbonylContact O-C 3.53Å; L128-L136 WeakPolarHBondContact O-CA 3.48Å; K129-L136 HydrophobicContact CB-CD2 3.7Å; K129-L136 HydrophobicContact CD-CD2 4.42Å; K129-L136 HydrophobicContact CG-CD2 3.81Å; L136-S162 VanDerWaalsContact O-CA 3.25Å; L136-S162 WeakPolarHBondContact O-CA 3.33Å; L136-S162 PolarHBondContact O-N 3.42Å; L136-F164 HydrophobicContact CD1-CB 4.1Å; L136-F164 HydrophobicContact CD1-CD2 3.8Å; L136-F164 HydrophobicContact CD1-CG 4.46Å; L136-L179 HydrophobicContact CD1-CB 4.35Å; L136-L179 HydrophobicContact CD1-CD2 3.86Å
137	K	85.9	Confident	76.1	Confident	55 Å²	55	44.7 Å²	44.7	24%	0.239	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.8	169	-66.6	-176.6	177.9	-179	0	109	W110 T127 L128 L160 Q161	W110-K137 HydrophobicContact CH2-CD 3.62Å; W110-K137 HydrophobicContact CH2-CG 3.81Å; W110-K137 HydrophobicContact CZ2-CD 3.96Å; W110-K137 HydrophobicContact CZ3-CB 4.32Å; W110-K137 HydrophobicContact CZ3-CD 4Å; W110-K137 HydrophobicContact CZ3-CG 3.87Å; T127-K137 CarbonylContact C-O 3.42Å; T127-K137 VanDerWaalsContact CA-O 3.3Å; T127-K137 WeakPolarHBondContact CA-O 3.47Å; L128-K137 HydrophobicContact CB-CB 4.42Å; L128-K137 PolarHBondContact N-O 3.06Å; L128-K137 PolarHBondContact O-N 3.1Å; K137-L160 CarbonylContact C-O 3.59Å; K137-L160 WeakPolarHBondContact CA-O 3.37Å; K137-Q161 VanDerWaalsContact CE-OE1 3.24Å
138	C	89.1	Confident	74.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	168	176.3	0	0	0	0	110	A126 E159 L160 V163 F166	A126-C138 VanDerWaalsContact O-CA 3.3Å; A126-C138 WeakPolarHBondContact O-CA 3.43Å; C138-E159 WeakPolarHBondContact O-CA 3.41Å; C138-L160 HydrophobicContact CB-CB 4.31Å; C138-L160 PolarHBondContact N-O 3.35Å; C138-L160 PolarHBondContact O-N 3.3Å; C138-V163 HydrophobicContact CB-CB 3.45Å; C138-V163 VanDerWaalsContact CB-CB 3.45Å; C138-V163 HydrophobicContact CB-CG1 3.65Å; C138-V163 HydrophobicContact CB-CG2 3.8Å; C138-F166 HydrophobicContact CB-CE1 4.46Å
139	V	88.7	Confident	73.1	Confident	14 Å²	14	50.4 Å²	50.4	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.5	173.6	-64.4	0	0	0	0	109.4	A125 A126 L128 E159	A125-V139 WeakPolarHBondContact CA-O 3.44Å; A126-V139 HydrophobicContact CB-CG2 4.05Å; A126-V139 PolarHBondContact N-O 2.92Å; A126-V139 PolarHBondContact O-N 2.77Å; L128-V139 HydrophobicContact CD1-CG1 3.88Å; L128-V139 HydrophobicContact CD1-CG2 4.39Å; L128-V139 HydrophobicContact CG-CG2 4.49Å; V139-E159 HydrophobicContact CG1-CG 4.31Å
140	V	87.7	Confident	71.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.8	174.8	-176.9	0	0	0	0	108.7	L124 A125 L157 L158 W168 L174 L190 L192	L124-V140 WeakPolarHBondContact O-CA 3.48Å; A125-V140 HydrophobicContact CB-CG2 4.41Å; V140-L157 HydrophobicContact CG1-CD1 4.49Å; V140-L157 PolarHBondContact O-N 3.32Å; V140-L158 HydrophobicContact CB-CB 4.44Å; V140-L158 PolarHBondContact N-O 3.26Å; V140-L158 PolarHBondContact O-N 3Å; V140-W168 HydrophobicContact CG1-CH2 3.98Å; V140-W168 HydrophobicContact CG1-CZ2 4.2Å; V140-L174 HydrophobicContact CG2-CD2 4.28Å; V140-L190 HydrophobicContact CG2-CD2 4.43Å; V140-L192 HydrophobicContact CG1-CD1 4.18Å
141	V	86.4	Confident	70.8	Confident	2 Å²	2	60 Å²	60	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.6	-172.4	177.4	0	0	0	0	109.9	T100 H123 L124 Y155 I156	T100-V141 HydrophobicContact CG2-CG2 3.88Å; H123-V141 CarbonylContact C-O 3.53Å; H123-V141 VanDerWaalsContact CA-O 3.25Å; H123-V141 WeakPolarHBondContact CA-O 3.24Å; L124-V141 PolarHBondContact N-O 3.27Å; L124-V141 PolarHBondContact O-N 3.08Å; V141-Y155 CarbonylContact C-O 3.49Å; V141-Y155 VanDerWaalsContact CA-O 3.26Å; V141-Y155 WeakPolarHBondContact CA-O 3.2Å; V141-Y155 HydrophobicContact CG1-CD2 3.95Å; V141-Y155 WeakPolarHBondContact CG1-O 3.25Å; V141-I156 HydrophobicContact CG2-CG1 4.5Å
142	R	83.8	Confident	70.2	Confident	114 Å²	114	61.6 Å²	61.6	43%	0.43	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.7	168	-172.3	175.1	-72.9	170	0.1	109.9	Y155 L157	R142-Y155 PolarHBondContact N-O 3.2Å; R142-L157 HydrophobicContact CB-CD1 4.02Å; R142-L157 HydrophobicContact CB-CD2 4.05Å; R142-L157 HydrophobicContact CB-CG 3.97Å
143	L	79.8	Confident	69.3	Low	12 Å²	12	63.7 Å²	63.7	6%	0.063	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-84.9	132.8	173.6	-62.8	173.5	0	0	0	108.6	Y78 L117 E121 K122 L124	Y78-L143 HydrophobicContact CE1-CD1 4.49Å; Y78-L143 HydrophobicContact CE1-CD2 4.12Å; Y78-L143 VanDerWaalsContact OH-CD1 3.22Å; Y78-L143 WeakPolarHBondContact OH-CD1 3.48Å; L117-L143 HydrophobicContact CD2-CD1 3.88Å; E121-L143 HydrophobicContact CB-CD1 4.25Å; E121-L143 VanDerWaalsContact O-CB 3.29Å; E121-L143 WeakPolarHBondContact O-CB 3.33Å; E121-L143 WeakPolarHBondContact O-CD1 3.43Å; K122-L143 PolarHBondContact O-N 3.21Å; L124-L143 HydrophobicContact CB-CD1 4.06Å; L124-L143 HydrophobicContact CB-CD2 4.05Å; L124-L143 HydrophobicContact CB-CG 4.1Å
144	G	67.2	Low	68.7	Low	16 Å²	16	69.1 Å²	69.1	17%	0.165	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-72.4	162.3	177.1	0	0	0	0	0	112.2
145	E	65.4	Low	68.7	Low	161 Å²	161	70.8 Å²	70.8	75%	0.752	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-56	157.1	175.3	-67.9	-176.5	-177.7	0	0	112.6	N147 T148	E145-N147 PolarHBondContact O-N 3.02Å; E145-T148 PolarHBondContact O-N 2.76Å; E145-T148 PolarHBondContact O-OG1 2.91Å; E145-T148 VanDerWaalsContact O-OG1 3.14Å
146	R	56.9	Low	68.6	Low	108 Å²	108	68.2 Å²	68.2	41%	0.408	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-24.7	-170.1	-165.8	173.7	-175.5	-170.7	-0.1	115.6	R91	R91-R146 VanDerWaalsContact CZ-CZ 3.48Å; R91-R146 VanDerWaalsContact NH2-NH2 3.15Å
147	N	53	Low	68.3	Low	140 Å²	140	69.6 Å²	69.6	75%	0.749	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	9.4	-173.2	-68	-10.9	0	0	0	114.2	E145	E145-N147 PolarHBondContact O-N 3.02Å
148	T	54	Low	68.3	Low	60 Å²	60	68.4 Å²	68.4	37%	0.368	35%	0.353	S	S	.	.			trans	-104.1	108.2	-179.2	45.3	0	0	0	0	111.7	E145 I150	E145-T148 PolarHBondContact O-N 2.76Å; E145-T148 PolarHBondContact O-OG1 2.91Å; E145-T148 VanDerWaalsContact O-OG1 3.14Å; T148-I150 PolarHBondContact O-N 2.8Å
149	S	49.7	Very low	68.2	Low	87 Å²	87	72.8 Å²	72.8	61%	0.608	37%	0.373	S	S	*	.			trans	-70.6	-9.9	170.5	-51.3	0	0	0	0	113.1	E97	E97-S149 WeakPolarHBondContact OE1-CA 3.35Å
150	I	50.1	Low	68.2	Low	145 Å²	145	73 Å²	73	74%	0.744	37%	0.374	S	S	*	.	S	Bend	trans	-97	118.8	179.2	-56.7	175	0	0	0	108.1	T148	T148-I150 PolarHBondContact O-N 2.8Å
151	L	53.5	Low	68.3	Low	61 Å²	61	78 Å²	78	32%	0.319	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-57.3	134.4	171	-82.3	155.8	0	0	0	109.7	Y155	L151-Y155 HydrophobicContact CD2-CD1 4.5Å; L151-Y155 HydrophobicContact CD2-CD2 4.3Å; L151-Y155 HydrophobicContact CD2-CG 3.96Å
152	P	54.5	Low	68.4	Low	38 Å²	38	80 Å²	80	25%	0.247	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60.3	147.5	171.9	25.1	-31.2	0	0	0	109.7	H154	P152-H154 PolarHBondContact O-N 3.03Å
153	P	45.6	Very low	68.6	Low	115 Å²	115	74.5 Å²	74.5	75%	0.747	39%	0.39	S	S	*	.	S	Bend	trans	-56.8	133.7	169	24.2	-30.8	0	0	0	108.7
154	H	58.3	Low	68.9	Low	162 Å²	162	75.2 Å²	75.2	75%	0.75	39%	0.393	S	S	*	.			trans	64.8	60.3	-172.9	-47.8	-77.7	0	0	0	114.8	P152	P152-H154 PolarHBondContact O-N 3.03Å
155	Y	69.9	Low	69.9	Low	68 Å²	68	74.5 Å²	74.5	27%	0.267	39%	0.386	S	S	.	.			trans	-71.7	-32	177.4	70.2	-83.3	0	0	0	113.4	R99 V141 R142 L151 L157	R99-Y155 WeakPolarHBondContact O-CE2 3.36Å; V141-Y155 CarbonylContact C-O 3.49Å; V141-Y155 VanDerWaalsContact CA-O 3.26Å; V141-Y155 WeakPolarHBondContact CA-O 3.2Å; V141-Y155 HydrophobicContact CG1-CD2 3.95Å; V141-Y155 WeakPolarHBondContact CG1-O 3.25Å; R142-Y155 PolarHBondContact N-O 3.2Å; L151-Y155 HydrophobicContact CD2-CD1 4.5Å; L151-Y155 HydrophobicContact CD2-CD2 4.3Å; L151-Y155 HydrophobicContact CD2-CG 3.96Å; Y155-L157 PolarHBondContact O-N 3.11Å
156	I	77.4	Confident	71.2	Confident	59 Å²	59	66.9 Å²	66.9	30%	0.303	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	115.4	167.9	-56.4	178.1	0	0	0	106.8	V141 E159	V141-I156 HydrophobicContact CG2-CG1 4.5Å; I156-E159 HydrophobicContact CG2-CG 4.14Å
157	L	78.4	Confident	72.9	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.23	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-48.1	178	-64.8	-179.1	0	0	0	110.7	H123 V140 R142 Y155 L192	H123-L157 WeakPolarHBondContact CD2-CD1 3.19Å; H123-L157 WeakPolarHBondContact NE2-CD1 3.36Å; V140-L157 HydrophobicContact CG1-CD1 4.49Å; V140-L157 PolarHBondContact O-N 3.32Å; R142-L157 HydrophobicContact CB-CD1 4.02Å; R142-L157 HydrophobicContact CB-CD2 4.05Å; R142-L157 HydrophobicContact CB-CG 3.97Å; Y155-L157 PolarHBondContact O-N 3.11Å; L157-L192 HydrophobicContact CD1-CD1 4.34Å
158	L	84.7	Confident	74.9	Confident	30 Å²	30	56 Å²	56	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.6	-172.4	-67.4	169.5	0	0	0	111.7	V140 L190 L192 S197	V140-L158 HydrophobicContact CB-CB 4.44Å; V140-L158 PolarHBondContact N-O 3.26Å; V140-L158 PolarHBondContact O-N 3Å; L158-L190 HydrophobicContact CD1-CD1 3.61Å; L158-L190 HydrophobicContact CD1-CD2 3.8Å; L158-L190 HydrophobicContact CD1-CG 4.29Å; L158-L192 HydrophobicContact CD1-CD2 3.75Å; L158-S197 WeakPolarHBondContact CD2-O 3.43Å
159	E	87	Confident	76.7	Confident	92 Å²	92	53.4 Å²	53.4	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.6	167	-60.4	-167.9	176.6	0	0	108.8	C138 V139 I156	C138-E159 WeakPolarHBondContact O-CA 3.41Å; V139-E159 HydrophobicContact CG1-CG 4.31Å; I156-E159 HydrophobicContact CG2-CG 4.14Å
160	L	88.3	Confident	78.7	Confident	20 Å²	20	51.6 Å²	51.6	11%	0.105	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	131.3	177.9	-57.4	173.9	0	0	0	108.9	K137 C138 V163 Y176 L190	K137-L160 CarbonylContact C-O 3.59Å; K137-L160 WeakPolarHBondContact CA-O 3.37Å; C138-L160 HydrophobicContact CB-CB 4.31Å; C138-L160 PolarHBondContact N-O 3.35Å; C138-L160 PolarHBondContact O-N 3.3Å; L160-V163 HydrophobicContact CB-CG2 3.37Å; L160-V163 HydrophobicContact CD1-CG2 4.07Å; L160-V163 HydrophobicContact CG-CG2 4.39Å; L160-Y176 HydrophobicContact CD1-CD1 4.11Å; L160-Y176 HydrophobicContact CD1-CE1 3.85Å; L160-Y176 HydrophobicContact CD1-CE2 4.29Å; L160-Y176 HydrophobicContact CD1-CG 4.43Å; L160-L190 HydrophobicContact CD1-CD2 4.18Å
161	Q	89.8	Confident	80.6	Confident	103 Å²	103	45.7 Å²	45.7	48%	0.481	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	150.1	178	-56.7	-56.3	-50.7	0	0	110.9	K137 V163	K137-Q161 VanDerWaalsContact CE-OE1 3.24Å; Q161-V163 PolarHBondContact O-N 3.32Å
162	S	88.9	Confident	82.4	Confident	44 Å²	44	44.7 Å²	44.7	31%	0.308	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	18.1	171.6	-54.4	0	0	0	0	115.6	L136 F164 T178 L179	L136-S162 VanDerWaalsContact O-CA 3.25Å; L136-S162 WeakPolarHBondContact O-CA 3.33Å; L136-S162 PolarHBondContact O-N 3.42Å; S162-F164 PolarHBondContact O-N 2.64Å; S162-T178 CarbonylContact O-C 3.59Å; S162-T178 WeakPolarHBondContact O-CA 3.17Å; S162-L179 WeakPolarHBondContact CB-O 3.37Å; S162-L179 PolarHBondContact O-N 3.4Å
163	V	88.5	Confident	84.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125	-177.9	174.4	0	0	0	0	111.3	C138 L160 Q161 F166 Y176 T177	C138-V163 HydrophobicContact CB-CB 3.45Å; C138-V163 VanDerWaalsContact CB-CB 3.45Å; C138-V163 HydrophobicContact CB-CG1 3.65Å; C138-V163 HydrophobicContact CB-CG2 3.8Å; L160-V163 HydrophobicContact CB-CG2 3.37Å; L160-V163 HydrophobicContact CD1-CG2 4.07Å; L160-V163 HydrophobicContact CG-CG2 4.39Å; Q161-V163 PolarHBondContact O-N 3.32Å; V163-F166 HydrophobicContact CG1-CB 4.44Å; V163-F166 HydrophobicContact CG1-CD1 3.75Å; V163-Y176 HydrophobicContact CB-CD2 4.41Å; V163-Y176 HydrophobicContact CG1-CD2 4.11Å; V163-Y176 HydrophobicContact CG1-CG 4.38Å; V163-Y176 HydrophobicContact CG2-CD2 3.58Å; V163-Y176 HydrophobicContact CG2-CE2 3.84Å; V163-Y176 HydrophobicContact CG2-CG 4.37Å; V163-T177 WeakPolarHBondContact CA-O 3.26Å
164	F	85.8	Confident	86.5	Confident	27 Å²	27	38 Å²	38	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-58.8	-176.5	175.2	-100.4	0	0	0	113.1	F7 R114 L136 S162 T177 L179 F212	F7-F164 HydrophobicContact CB-CZ 4.06Å; F7-F164 HydrophobicContact CD1-CZ 4.01Å; F7-F164 HydrophobicContact CG-CZ 4.36Å; R114-F164 PolarHBondContact NH1-O 2.81Å; L136-F164 HydrophobicContact CD1-CB 4.1Å; L136-F164 HydrophobicContact CD1-CD2 3.8Å; L136-F164 HydrophobicContact CD1-CG 4.46Å; S162-F164 PolarHBondContact O-N 2.64Å; F164-T177 PolarHBondContact N-O 2.88Å; F164-L179 HydrophobicContact CB-CB 3.9Å; F164-L179 HydrophobicContact CD2-CD1 4.44Å; F164-L179 HydrophobicContact CD2-CD2 4.16Å; F164-L179 HydrophobicContact CG-CB 4.43Å; F164-F212 HydrophobicContact CD1-CE1 4.03Å; F164-F212 HydrophobicContact CD1-CZ 4Å; F164-F212 AromaticContact CE1-CE1 3.49Å; F164-F212 HydrophobicContact CE1-CE1 3.49Å; F164-F212 VanDerWaalsContact CE1-CE1 3.49Å; F164-F212 AromaticContact CE1-CZ 3.67Å; F164-F212 HydrophobicContact CE1-CZ 3.67Å; F164-F212 HydrophobicContact CZ-CE1 4.06Å; F164-F212 AromaticContact CZ-CZ 3.95Å; F164-F212 HydrophobicContact CZ-CZ 3.95Å
165	S	88.7	Confident	88.3	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.2	176.2	73.9	0	0	0	0	111.1	Y176 T177 V215	S165-Y176 CarbonylContact O-C 3.51Å; S165-Y176 WeakPolarHBondContact O-CA 3.33Å; S165-Y176 WeakPolarHBondContact O-CB 3.36Å; S165-T177 PolarHBondContact N-OG1 3.46Å; S165-T177 PolarHBondContact O-N 2.95Å; S165-T177 WeakPolarHBondContact OG-CG2 3.31Å; S165-T177 PolarHBondContact OG-OG1 2.79Å; S165-V215 PolarHBondContact OG-N 3.22Å
166	F	92.1	Very high	89.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	146.6	175.8	61.6	-105.2	0	0	0	111.9	R114 R116 A125 T127 C138 V163 L174 F175	R114-F166 HydrophobicContact CB-CZ 4.48Å; R114-F166 HydrophobicContact CG-CZ 4.15Å; R116-F166 HydrophobicContact CB-CD2 4.13Å; R116-F166 HydrophobicContact CB-CE2 3.66Å; R116-F166 HydrophobicContact CG-CD2 3.88Å; R116-F166 HydrophobicContact CG-CE2 3.52Å; A125-F166 HydrophobicContact CB-CD2 3.9Å; A125-F166 HydrophobicContact CB-CE2 3.47Å; A125-F166 VanDerWaalsContact CB-CE2 3.47Å; A125-F166 HydrophobicContact CB-CZ 3.88Å; A125-F166 WeakPolarHBondContact O-CZ 3.49Å; T127-F166 WeakPolarHBondContact OG1-CE1 3.35Å; C138-F166 HydrophobicContact CB-CE1 4.46Å; V163-F166 HydrophobicContact CG1-CB 4.44Å; V163-F166 HydrophobicContact CG1-CD1 3.75Å; F166-L174 HydrophobicContact CB-CD1 4.15Å; F166-L174 HydrophobicContact CB-CD2 4.45Å; F166-L174 HydrophobicContact CB-CG 4.39Å; F166-L174 HydrophobicContact CD2-CD1 4.1Å; F166-L174 HydrophobicContact CG-CD1 4.49Å; F166-F175 CarbonylContact C-O 3.54Å; F166-F175 WeakPolarHBondContact CA-O 3.31Å; F166-F175 WeakPolarHBondContact CB-O 3.03Å
167	E	93.6	Very high	90.3	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.047	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.3	174.4	-64.9	-62.5	170.5	0	0	110.7	R116 F175 L217 L224	R116-E167 VanDerWaalsContact CD-OE2 3.27Å; R116-E167 WeakPolarHBondContact CD-OE2 3.32Å; R116-E167 IonicContact CZ-OE1 3.18Å; R116-E167 VanDerWaalsContact NE-CD 3.31Å; R116-E167 IonicContact NE-OE1 2.72Å; R116-E167 PolarHBondContact NE-OE1 3.45Å; R116-E167 IonicContact NE-OE2 2.97Å; R116-E167 PolarHBondContact NE-OE2 3.24Å; R116-E167 IonicContact NH2-OE1 3.65Å; R116-E167 PolarHBondContact NH2-OE1 3.05Å; E167-F175 PolarHBondContact N-O 3.4Å; E167-F175 PolarHBondContact O-N 2.82Å; E167-L217 HydrophobicContact CB-CB 4.15Å; E167-L217 HydrophobicContact CG-CB 4Å; E167-L224 HydrophobicContact CB-CD1 4Å
168	W	93.6	Very high	90.9	Very high	9 Å²	9	23.7 Å²	23.7	3%	0.034	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.3	177.7	-70.3	100.7	0	0	0	110.1	R116 H123 A125 V140 T170 L174 L192	R116-W168 PolarHBondContact O-NE1 2.93Å; H123-W168 HydrophobicContact CB-CH2 3.38Å; H123-W168 HydrophobicContact CB-CZ2 3.49Å; H123-W168 VanDerWaalsContact CB-CZ2 3.49Å; H123-W168 HydrophobicContact CB-CZ3 4.22Å; H123-W168 AromaticContact CG-CH2 3.94Å; A125-W168 HydrophobicContact CB-CZ2 3.98Å; V140-W168 HydrophobicContact CG1-CH2 3.98Å; V140-W168 HydrophobicContact CG1-CZ2 4.2Å; W168-T170 VanDerWaalsContact CE3-O 3.31Å; W168-L174 HydrophobicContact CD2-CB 4.42Å; W168-L174 HydrophobicContact CD2-CD1 3.66Å; W168-L174 HydrophobicContact CE3-CB 3.97Å; W168-L174 HydrophobicContact CE3-CD1 4.08Å; W168-L174 HydrophobicContact CG-CD1 3.91Å; W168-L174 HydrophobicContact CH2-CB 4.43Å; W168-L174 HydrophobicContact CZ2-CD1 4.26Å; W168-L174 HydrophobicContact CZ3-CB 3.98Å; W168-L192 HydrophobicContact CH2-CD1 3.66Å; W168-L192 HydrophobicContact CZ3-CD1 3.8Å
169	A	93	Very high	91.1	Very high	7 Å²	7	23.4 Å²	23.4	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-85	-41.3	170.3	0	0	0	0	0	111.2	V173 F175 V241 L246	A169-V173 HydrophobicContact CB-CB 4.38Å; A169-V173 HydrophobicContact CB-CG1 4.3Å; A169-V173 PolarHBondContact N-O 3.37Å; A169-F175 HydrophobicContact CB-CD2 3.83Å; A169-F175 HydrophobicContact CB-CE2 3.71Å; A169-V241 HydrophobicContact CB-CB 4.3Å; A169-V241 HydrophobicContact CB-CG1 3.76Å; A169-L246 HydrophobicContact CB-CD1 4.1Å
170	T	91.4	Very high	90.9	Very high	49 Å²	49	25.7 Å²	25.7	30%	0.301	13%	0.134	S	C	.	.	S	Bend	trans	-140	-177.3	173.2	71.2	0	0	0	0	109.1	W168 D172 V173	W168-T170 VanDerWaalsContact CE3-O 3.31Å; T170-D172 PolarHBondContact O-N 3.42Å; T170-D172 PolarHBondContact OG1-N 2.95Å; T170-V173 PolarHBondContact N-O 3.29Å; T170-V173 WeakPolarHBondContact OG1-CB 3.46Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.49Å; T170-V173 PolarHBondContact OG1-N 3.46Å; T170-V173 VanDerWaalsContact OG1-N 3.17Å
171	D	89.4	Confident	90.3	Very high	21 Å²	21	28.1 Å²	28.1	11%	0.112	16%	0.163	C	C	.	.	S	Bend	trans	-64	-21.7	174.4	-75.3	-65.1	0	0	0	114.5	S118 H120 K122 H123	S118-D171 WeakPolarHBondContact CB-OD1 3.4Å; S118-D171 PolarHBondContact OG-OD1 2.94Å; H120-D171 VanDerWaalsContact CB-OD2 3.25Å; H120-D171 WeakPolarHBondContact CB-OD2 3.41Å; H120-D171 IonicContact CD2-OD2 2.71Å; H120-D171 PolarHBondContact CD2-OD2 3.38Å; H120-D171 IonicContact CG-OD2 3.89Å; H120-D171 VanDerWaalsContact CG-OD2 3.27Å; H120-D171 PolarHBondContact N-OD1 2.91Å; H120-D171 PolarHBondContact N-OD2 3.23Å; H120-D171 IonicContact NE2-OD2 2.82Å; K122-D171 HydrophobicContact CB-CB 4.04Å; K122-D171 HydrophobicContact CD-CB 3.98Å; H123-D171 PolarHBondContact CE1-O 3.36Å; H123-D171 PolarHBondContact ND1-O 3.13Å
172	D	90.9	Very high	89.9	Confident	40 Å²	40	23.9 Å²	23.9	21%	0.214	14%	0.144	C	C	.	.	S	Bend	trans	-117.7	1.9	-175	-67.3	-49.1	0	0	0	113	K122 H123 T170 D191 L192 A193	K122-D172 VanDerWaalsContact NZ-CG 3.25Å; K122-D172 IonicContact NZ-OD1 2.69Å; K122-D172 PolarHBondContact NZ-OD1 3.03Å; K122-D172 IonicContact NZ-OD2 3Å; K122-D172 PolarHBondContact NZ-OD2 2.92Å; H123-D172 IonicContact CE1-OD1 3.44Å; H123-D172 PolarHBondContact CE1-OD1 3.09Å; T170-D172 PolarHBondContact O-N 3.42Å; T170-D172 PolarHBondContact OG1-N 2.95Å; D172-D191 WeakPolarHBondContact O-CA 3.46Å; D172-L192 HydrophobicContact CB-CB 4.41Å; D172-L192 PolarHBondContact O-N 3.46Å; D172-A193 HydrophobicContact CB-CB 3.98Å
173	V	93.2	Very high	89.6	Confident	11 Å²	11	23.3 Å²	23.3	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118	-179	-174.2	0	0	0	0	110.6	A169 T170 F175 R189 L190 D191 L246	A169-V173 HydrophobicContact CB-CB 4.38Å; A169-V173 HydrophobicContact CB-CG1 4.3Å; A169-V173 PolarHBondContact N-O 3.37Å; T170-V173 PolarHBondContact N-O 3.29Å; T170-V173 WeakPolarHBondContact OG1-CB 3.46Å; T170-V173 WeakPolarHBondContact OG1-CG2 3.49Å; T170-V173 PolarHBondContact OG1-N 3.46Å; T170-V173 VanDerWaalsContact OG1-N 3.17Å; V173-F175 HydrophobicContact CG1-CD2 4.24Å; V173-F175 HydrophobicContact CG1-CE2 3.77Å; V173-R189 HydrophobicContact CG1-CG 3.85Å; V173-L190 WeakPolarHBondContact CA-O 3.38Å; V173-D191 WeakPolarHBondContact CG2-OD1 3.31Å; V173-L246 HydrophobicContact CB-CD1 4.29Å; V173-L246 HydrophobicContact CG1-CD1 3.9Å; V173-L246 HydrophobicContact CG2-CD1 4.35Å
174	L	94.5	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.4	175.8	-177.3	78.2	0	0	0	109.6	A125 V140 F166 W168 L190	A125-L174 HydrophobicContact CB-CD1 4.46Å; A125-L174 HydrophobicContact CB-CD2 4.48Å; V140-L174 HydrophobicContact CG2-CD2 4.28Å; F166-L174 HydrophobicContact CB-CD1 4.15Å; F166-L174 HydrophobicContact CB-CD2 4.45Å; F166-L174 HydrophobicContact CB-CG 4.39Å; F166-L174 HydrophobicContact CD2-CD1 4.1Å; F166-L174 HydrophobicContact CG-CD1 4.49Å; W168-L174 HydrophobicContact CD2-CB 4.42Å; W168-L174 HydrophobicContact CD2-CD1 3.66Å; W168-L174 HydrophobicContact CE3-CB 3.97Å; W168-L174 HydrophobicContact CE3-CD1 4.08Å; W168-L174 HydrophobicContact CG-CD1 3.91Å; W168-L174 HydrophobicContact CH2-CB 4.43Å; W168-L174 HydrophobicContact CZ2-CD1 4.26Å; W168-L174 HydrophobicContact CZ3-CB 3.98Å; L174-L190 HydrophobicContact CB-CB 4.3Å; L174-L190 HydrophobicContact CD2-CD2 4.29Å; L174-L190 PolarHBondContact N-O 3.34Å; L174-L190 PolarHBondContact O-N 3.31Å
175	F	96.2	Very high	90	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.5	166.7	-73.3	-101.1	0	0	0	109.1	F166 E167 A169 V173 V187 F188 R189 V203 V215 L224 I239 L246	F166-F175 CarbonylContact C-O 3.54Å; F166-F175 WeakPolarHBondContact CA-O 3.31Å; F166-F175 WeakPolarHBondContact CB-O 3.03Å; E167-F175 PolarHBondContact N-O 3.4Å; E167-F175 PolarHBondContact O-N 2.82Å; A169-F175 HydrophobicContact CB-CD2 3.83Å; A169-F175 HydrophobicContact CB-CE2 3.71Å; V173-F175 HydrophobicContact CG1-CD2 4.24Å; V173-F175 HydrophobicContact CG1-CE2 3.77Å; F175-V187 HydrophobicContact CD1-CG1 4.31Å; F175-F188 WeakPolarHBondContact CA-O 3.27Å; F175-R189 HydrophobicContact CD1-CB 4.27Å; F175-R189 HydrophobicContact CE1-CB 4.01Å; F175-R189 HydrophobicContact CE1-CG 4.4Å; F175-R189 HydrophobicContact CZ-CB 4.33Å; F175-R189 HydrophobicContact CZ-CG 4.22Å; F175-V203 HydrophobicContact CD1-CG2 4.14Å; F175-V203 HydrophobicContact CE1-CG1 4.12Å; F175-V203 HydrophobicContact CE1-CG2 3.77Å; F175-V215 HydrophobicContact CB-CG1 4.49Å; F175-L224 HydrophobicContact CB-CD1 3.92Å; F175-L224 HydrophobicContact CB-CD2 4.39Å; F175-L224 HydrophobicContact CD2-CD1 3.9Å; F175-L224 HydrophobicContact CG-CD1 4.09Å; F175-L224 HydrophobicContact CG-CD2 4.37Å; F175-I239 HydrophobicContact CD1-CD1 4.1Å; F175-I239 HydrophobicContact CE1-CD1 3.64Å; F175-I239 HydrophobicContact CZ-CD1 3.96Å; F175-L246 HydrophobicContact CE2-CD1 4.21Å; F175-L246 HydrophobicContact CZ-CB 4.16Å
176	Y	95.1	Very high	90.2	Very high	15 Å²	15	24.5 Å²	24.5	6%	0.059	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159	179.6	71.2	-87.6	0	0	0	112.8	L160 V163 S165 T178 V187 F188 L190 V200	L160-Y176 HydrophobicContact CD1-CD1 4.11Å; L160-Y176 HydrophobicContact CD1-CE1 3.85Å; L160-Y176 HydrophobicContact CD1-CE2 4.29Å; L160-Y176 HydrophobicContact CD1-CG 4.43Å; V163-Y176 HydrophobicContact CB-CD2 4.41Å; V163-Y176 HydrophobicContact CG1-CD2 4.11Å; V163-Y176 HydrophobicContact CG1-CG 4.38Å; V163-Y176 HydrophobicContact CG2-CD2 3.58Å; V163-Y176 HydrophobicContact CG2-CE2 3.84Å; V163-Y176 HydrophobicContact CG2-CG 4.37Å; S165-Y176 CarbonylContact O-C 3.51Å; S165-Y176 WeakPolarHBondContact O-CA 3.33Å; S165-Y176 WeakPolarHBondContact O-CB 3.36Å; Y176-T178 HydrophobicContact CD2-CG2 4.38Å; Y176-T178 HydrophobicContact CE2-CG2 3.99Å; Y176-V187 WeakPolarHBondContact O-CA 3.4Å; Y176-F188 HydrophobicContact CD1-CB 4.08Å; Y176-F188 HydrophobicContact CD2-CB 4.34Å; Y176-F188 HydrophobicContact CD2-CD2 4.26Å; Y176-F188 HydrophobicContact CE1-CB 3.55Å; Y176-F188 HydrophobicContact CE2-CB 3.85Å; Y176-F188 AromaticContact CE2-CD2 3.7Å; Y176-F188 HydrophobicContact CE2-CD2 3.7Å; Y176-F188 HydrophobicContact CE2-CG 4.07Å; Y176-F188 HydrophobicContact CG-CB 4.45Å; Y176-F188 VanDerWaalsContact CZ-CB 3.42Å; Y176-F188 AromaticContact CZ-CG 3.94Å; Y176-F188 PolarHBondContact N-O 3.3Å; Y176-F188 PolarHBondContact O-N 3.08Å; Y176-L190 HydrophobicContact CD1-CB 4.45Å; Y176-L190 HydrophobicContact CE1-CB 4.08Å; Y176-V200 WeakPolarHBondContact OH-CG1 3.37Å
177	T	94.3	Very high	90.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.2	171.4	71.7	0	0	0	0	111.1	V163 F164 S165 S184 S186 V187 V213 V215	V163-T177 WeakPolarHBondContact CA-O 3.26Å; F164-T177 PolarHBondContact N-O 2.88Å; S165-T177 PolarHBondContact N-OG1 3.46Å; S165-T177 PolarHBondContact O-N 2.95Å; S165-T177 WeakPolarHBondContact OG-CG2 3.31Å; S165-T177 PolarHBondContact OG-OG1 2.79Å; T177-S184 WeakPolarHBondContact CB-OG 3.48Å; T177-S184 PolarHBondContact OG1-OG 3Å; T177-S186 VanDerWaalsContact CA-O 3.29Å; T177-S186 WeakPolarHBondContact CA-O 3.44Å; T177-S186 WeakPolarHBondContact CB-O 3.4Å; T177-V187 HydrophobicContact CG2-CG2 4.03Å; T177-V213 HydrophobicContact CG2-CG1 4.42Å; T177-V215 HydrophobicContact CG2-CG1 4.06Å
178	T	91.1	Very high	90.6	Very high	18 Å²	18	26.2 Å²	26.2	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	154.9	173.6	54.5	0	0	0	0	111.2	S162 Y176 S184 F188	S162-T178 CarbonylContact O-C 3.59Å; S162-T178 WeakPolarHBondContact O-CA 3.17Å; Y176-T178 HydrophobicContact CD2-CG2 4.38Å; Y176-T178 HydrophobicContact CE2-CG2 3.99Å; T178-S184 WeakPolarHBondContact O-CA 3.28Å; T178-S184 VanDerWaalsContact O-CB 3.31Å; T178-S184 WeakPolarHBondContact O-CB 3.29Å; T178-S184 PolarHBondContact O-OG 3.22Å; T178-F188 HydrophobicContact CG2-CD2 4.1Å; T178-F188 HydrophobicContact CG2-CE2 3.78Å
179	L	87.3	Confident	90.6	Very high	24 Å²	24	29 Å²	29	13%	0.126	17%	0.169	C	C	.	.			trans	-117.2	117.6	175.7	-172.2	77.3	0	0	0	109.9	L136 S162 F164 S183 F212	L136-L179 HydrophobicContact CD1-CB 4.35Å; L136-L179 HydrophobicContact CD1-CD2 3.86Å; S162-L179 WeakPolarHBondContact CB-O 3.37Å; S162-L179 PolarHBondContact O-N 3.4Å; F164-L179 HydrophobicContact CB-CB 3.9Å; F164-L179 HydrophobicContact CD2-CD1 4.44Å; F164-L179 HydrophobicContact CD2-CD2 4.16Å; F164-L179 HydrophobicContact CG-CB 4.43Å; L179-S183 CarbonylContact C-O 3.5Å; L179-S183 WeakPolarHBondContact CA-O 3.3Å; L179-F212 HydrophobicContact CD1-CE2 3.82Å; L179-F212 HydrophobicContact CD1-CZ 3.93Å
180	E	83.8	Confident	90.6	Very high	141 Å²	141	28.7 Å²	28.7	66%	0.659	17%	0.167	S	C	*	.	B	Isolated β-bridge	trans	-122.7	119.6	177.7	-65.8	-174.7	-173.7	0	0	109.1	L182 S183	E180-L182 PolarHBondContact O-N 3.12Å; E180-L182 VanDerWaalsContact O-N 3.12Å; E180-S183 PolarHBondContact N-O 3.2Å; E180-S183 PolarHBondContact O-N 3.47Å
181	G	75.6	Confident	90.6	Very high	71 Å²	71	27.5 Å²	27.5	73%	0.732	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	31.3	176.5	0	0	0	0	0	114.9	S183	G181-S183 VanDerWaalsContact C-N 3.33Å
182	L	80.7	Confident	90.5	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.068	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	1.3	-172.7	-52.5	172.9	0	0	0	116.5	E134 E180 P564 L565 P612 R613	E134-L182 HydrophobicContact CB-CD2 4.46Å; E134-L182 HydrophobicContact CG-CD2 4.28Å; E180-L182 PolarHBondContact O-N 3.12Å; E180-L182 VanDerWaalsContact O-N 3.12Å; L182-P564 HydrophobicContact CD1-CB 4.14Å; L182-L565 HydrophobicContact CB-CD2 4.16Å; L182-L565 HydrophobicContact CD1-CD1 4.2Å; L182-L565 HydrophobicContact CD1-CD2 4.19Å; L182-L565 HydrophobicContact CD1-CG 4.13Å; L182-P612 HydrophobicContact CD1-CB 4.06Å; L182-P612 HydrophobicContact CD1-CG 4.01Å; L182-P612 HydrophobicContact CD2-CG 4Å; L182-P612 HydrophobicContact CG-CB 4.4Å; L182-P612 HydrophobicContact CG-CG 4.26Å; L182-R613 HydrophobicContact CD1-CG 3.65Å
183	S	83.4	Confident	89.9	Confident	32 Å²	32	29.5 Å²	29.5	22%	0.224	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-103.1	142.2	175.2	-175	0	0	0	0	111	L179 E180 G181	L179-S183 CarbonylContact C-O 3.5Å; L179-S183 WeakPolarHBondContact CA-O 3.3Å; E180-S183 PolarHBondContact N-O 3.2Å; E180-S183 PolarHBondContact O-N 3.47Å; G181-S183 VanDerWaalsContact C-N 3.33Å
184	S	90	Very high	88.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.			trans	-122.7	110.4	171.6	-163.7	0	0	0	0	108.3	T177 T178 V213	T177-S184 WeakPolarHBondContact CB-OG 3.48Å; T177-S184 PolarHBondContact OG1-OG 3Å; T178-S184 WeakPolarHBondContact O-CA 3.28Å; T178-S184 VanDerWaalsContact O-CB 3.31Å; T178-S184 WeakPolarHBondContact O-CB 3.29Å; T178-S184 PolarHBondContact O-OG 3.22Å; S184-V213 WeakPolarHBondContact CB-O 3.24Å; S184-V213 WeakPolarHBondContact O-CB 3.16Å; S184-V213 PolarHBondContact O-N 2.94Å; S184-V213 PolarHBondContact OG-O 3.46Å; S184-V213 VanDerWaalsContact OG-O 3.1Å
185	S	92.1	Very high	86.2	Confident	36 Å²	36	41.8 Å²	41.8	25%	0.252	24%	0.243	S	C	.	.			trans	-121.2	-16.5	-173.2	60.7	0	0	0	0	113.7	E206	S185-E206 WeakPolarHBondContact O-CB 3.23Å; S185-E206 PolarHBondContact O-N 3.06Å
186	S	94	Very high	84.3	Confident	17 Å²	17	45 Å²	45	12%	0.119	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.5	-169	-63.7	0	0	0	0	112.3	T177 H204	T177-S186 VanDerWaalsContact CA-O 3.29Å; T177-S186 WeakPolarHBondContact CA-O 3.44Å; T177-S186 WeakPolarHBondContact CB-O 3.4Å; S186-H204 WeakPolarHBondContact CA-O 3.26Å
187	V	96.4	Very high	82.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.2	174.1	-172.4	0	0	0	0	109.4	F175 Y176 T177 V203 H204 V213 V215 I226	F175-V187 HydrophobicContact CD1-CG1 4.31Å; Y176-V187 WeakPolarHBondContact O-CA 3.4Å; T177-V187 HydrophobicContact CG2-CG2 4.03Å; V187-V203 HydrophobicContact CB-CB 4.34Å; V187-V203 HydrophobicContact CG1-CB 4.23Å; V187-V203 PolarHBondContact O-N 3.02Å; V187-H204 HydrophobicContact CB-CB 4.12Å; V187-H204 HydrophobicContact CG2-CB 4.06Å; V187-H204 PolarHBondContact N-O 2.77Å; V187-H204 PolarHBondContact O-N 2.87Å; V187-V213 HydrophobicContact CG2-CG1 3.53Å; V187-V215 HydrophobicContact CG1-CG1 3.83Å; V187-V215 HydrophobicContact CG2-CG1 4.48Å; V187-I226 HydrophobicContact CB-CD1 4.48Å; V187-I226 HydrophobicContact CG1-CD1 4.12Å; V187-I226 HydrophobicContact CG1-CG1 4.32Å; V187-I226 HydrophobicContact CG2-CD1 4.3Å; V187-I226 HydrophobicContact CG2-CG1 4.36Å; V187-I226 HydrophobicContact CG2-CG2 3.63Å
188	F	96	Very high	81.6	Confident	46 Å²	46	49.9 Å²	49.9	20%	0.202	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.4	178.4	-58.3	-81.5	0	0	0	110.9	F175 Y176 T178 V200 T201	F175-F188 WeakPolarHBondContact CA-O 3.27Å; Y176-F188 HydrophobicContact CD1-CB 4.08Å; Y176-F188 HydrophobicContact CD2-CB 4.34Å; Y176-F188 HydrophobicContact CD2-CD2 4.26Å; Y176-F188 HydrophobicContact CE1-CB 3.55Å; Y176-F188 HydrophobicContact CE2-CB 3.85Å; Y176-F188 AromaticContact CE2-CD2 3.7Å; Y176-F188 HydrophobicContact CE2-CD2 3.7Å; Y176-F188 HydrophobicContact CE2-CG 4.07Å; Y176-F188 HydrophobicContact CG-CB 4.45Å; Y176-F188 VanDerWaalsContact CZ-CB 3.42Å; Y176-F188 AromaticContact CZ-CG 3.94Å; Y176-F188 PolarHBondContact N-O 3.3Å; Y176-F188 PolarHBondContact O-N 3.08Å; T178-F188 HydrophobicContact CG2-CD2 4.1Å; T178-F188 HydrophobicContact CG2-CE2 3.78Å; F188-V200 HydrophobicContact CB-CG1 4.06Å; F188-V200 HydrophobicContact CD1-CG1 4.07Å; F188-V200 HydrophobicContact CG-CG1 4.34Å; F188-T201 WeakPolarHBondContact CA-O 3.28Å
189	R	94.9	Very high	81.4	Confident	68 Å²	68	55.1 Å²	55.1	26%	0.257	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.9	169.9	171.6	-179.4	167	167.8	1.3	108.9	V173 F175 D191 V200 T201 V203	V173-R189 HydrophobicContact CG1-CG 3.85Å; F175-R189 HydrophobicContact CD1-CB 4.27Å; F175-R189 HydrophobicContact CE1-CB 4.01Å; F175-R189 HydrophobicContact CE1-CG 4.4Å; F175-R189 HydrophobicContact CZ-CB 4.33Å; F175-R189 HydrophobicContact CZ-CG 4.22Å; R189-D191 IonicContact CZ-OD1 2.7Å; R189-D191 VanDerWaalsContact CZ-OD1 3.25Å; R189-D191 IonicContact CZ-OD2 3.9Å; R189-D191 VanDerWaalsContact NE-CG 3.33Å; R189-D191 IonicContact NE-OD1 3.08Å; R189-D191 PolarHBondContact NE-OD1 3.38Å; R189-D191 IonicContact NE-OD2 3.66Å; R189-D191 PolarHBondContact NE-OD2 3.37Å; R189-D191 IonicContact NH2-OD1 3.58Å; R189-D191 PolarHBondContact NH2-OD1 3.38Å; R189-D191 IonicContact NH2-OD2 2.66Å; R189-V200 CarbonylContact O-C 3.4Å; R189-V200 VanDerWaalsContact O-CA 3.32Å; R189-V200 WeakPolarHBondContact O-CA 3.25Å; R189-T201 PolarHBondContact N-O 2.75Å; R189-T201 PolarHBondContact O-N 3.38Å; R189-V203 HydrophobicContact CB-CG2 3.53Å
190	L	93.4	Very high	81.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.3	172.5	171	65.4	0	0	0	109.8	V140 L158 L160 V173 L174 Y176 L192 K199 V200	V140-L190 HydrophobicContact CG2-CD2 4.43Å; L158-L190 HydrophobicContact CD1-CD1 3.61Å; L158-L190 HydrophobicContact CD1-CD2 3.8Å; L158-L190 HydrophobicContact CD1-CG 4.29Å; L160-L190 HydrophobicContact CD1-CD2 4.18Å; V173-L190 WeakPolarHBondContact CA-O 3.38Å; L174-L190 HydrophobicContact CB-CB 4.3Å; L174-L190 HydrophobicContact CD2-CD2 4.29Å; L174-L190 PolarHBondContact N-O 3.34Å; L174-L190 PolarHBondContact O-N 3.31Å; Y176-L190 HydrophobicContact CD1-CB 4.45Å; Y176-L190 HydrophobicContact CE1-CB 4.08Å; L190-L192 HydrophobicContact CD1-CD2 4.23Å; L190-L192 HydrophobicContact CD2-CD2 4Å; L190-L192 HydrophobicContact CD2-CG 4.47Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.33Å; L190-K199 WeakPolarHBondContact CA-O 3.47Å; L190-V200 HydrophobicContact CD1-CG2 3.89Å
191	D	91.3	Very high	82.1	Confident	25 Å²	25	53.2 Å²	53.2	13%	0.134	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	113.1	174.4	-65.8	-74.8	0	0	0	110.8	D172 V173 R189 G198 K199	D172-D191 WeakPolarHBondContact O-CA 3.46Å; V173-D191 WeakPolarHBondContact CG2-OD1 3.31Å; R189-D191 IonicContact CZ-OD1 2.7Å; R189-D191 VanDerWaalsContact CZ-OD1 3.25Å; R189-D191 IonicContact CZ-OD2 3.9Å; R189-D191 VanDerWaalsContact NE-CG 3.33Å; R189-D191 IonicContact NE-OD1 3.08Å; R189-D191 PolarHBondContact NE-OD1 3.38Å; R189-D191 IonicContact NE-OD2 3.66Å; R189-D191 PolarHBondContact NE-OD2 3.37Å; R189-D191 IonicContact NH2-OD1 3.58Å; R189-D191 PolarHBondContact NH2-OD1 3.38Å; R189-D191 IonicContact NH2-OD2 2.66Å; D191-G198 WeakPolarHBondContact O-CA 3.11Å; D191-K199 HydrophobicContact CB-CB 4.45Å; D191-K199 PolarHBondContact N-O 3.37Å; D191-K199 PolarHBondContact O-N 2.91Å
192	L	87.3	Confident	83	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.12	32%	0.324	C	S	.	.			trans	-89.8	-13.4	-178.1	-64.7	177.4	0	0	0	114.2	V140 L157 L158 W168 D172 L190 S194	V140-L192 HydrophobicContact CG1-CD1 4.18Å; L157-L192 HydrophobicContact CD1-CD1 4.34Å; L158-L192 HydrophobicContact CD1-CD2 3.75Å; W168-L192 HydrophobicContact CH2-CD1 3.66Å; W168-L192 HydrophobicContact CZ3-CD1 3.8Å; D172-L192 HydrophobicContact CB-CB 4.41Å; D172-L192 PolarHBondContact O-N 3.46Å; L190-L192 HydrophobicContact CD1-CD2 4.23Å; L190-L192 HydrophobicContact CD2-CD2 4Å; L190-L192 HydrophobicContact CD2-CG 4.47Å; L190-L192 HydrophobicContact CG-CD2 4.04Å; L190-L192 HydrophobicContact CG-CG 4.33Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.02Å
193	A	76.8	Confident	83.7	Confident	79 Å²	79	54.5 Å²	54.5	65%	0.653	33%	0.332	S	S	*	.	S	Bend	trans	-76.8	-10.7	-178.7	0	0	0	0	0	114.1	D172	D172-A193 HydrophobicContact CB-CB 3.98Å
194	S	60.5	Low	84.3	Confident	59 Å²	59	54.7 Å²	54.7	41%	0.413	33%	0.33	S	S	.	.	S	Bend	trans	-79.3	135	179.3	-59.6	0	0	0	0	110.5	L192 G196	L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 3.02Å; S194-G196 PolarHBondContact O-N 3.13Å
195	E	49.8	Very low	84.5	Confident	211 Å²	211	61.1 Å²	61.1	99%	0.986	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	99.5	177	-69.6	-174.2	163.3	0	0	110.7
196	G	56.6	Low	84.6	Confident	66 Å²	66	60.3 Å²	60.3	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	142	-175.1	-175.1	0	0	0	0	0	113.4	S194 G198	S194-G196 PolarHBondContact O-N 3.13Å; G196-G198 PolarHBondContact O-N 2.97Å
197	S	59.7	Low	84.5	Confident	102 Å²	102	65.4 Å²	65.4	71%	0.713	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	37.3	-174.9	58.5	0	0	0	0	115.6	L158	L158-S197 WeakPolarHBondContact CD2-O 3.43Å
198	G	72.9	Confident	84.2	Confident	17 Å²	17	69.3 Å²	69.3	18%	0.175	40%	0.401	C	S	.	.			trans	67	137.6	-174.5	0	0	0	0	0	113.3	D191 G196	D191-G198 WeakPolarHBondContact O-CA 3.11Å; G196-G198 PolarHBondContact O-N 2.97Å
199	K	87.4	Confident	83.6	Confident	127 Å²	127	71 Å²	71	55%	0.552	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.7	174.8	-177.3	-178.3	175	-175.4	0	109.3	L190 D191	L190-K199 WeakPolarHBondContact CA-O 3.47Å; D191-K199 HydrophobicContact CB-CB 4.45Å; D191-K199 PolarHBondContact N-O 3.37Å; D191-K199 PolarHBondContact O-N 2.91Å
200	V	91.9	Very high	83.1	Confident	69 Å²	69	69.9 Å²	69.9	42%	0.418	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	173.7	-178.8	0	0	0	0	109.8	Y176 F188 R189 L190	Y176-V200 WeakPolarHBondContact OH-CG1 3.37Å; F188-V200 HydrophobicContact CB-CG1 4.06Å; F188-V200 HydrophobicContact CD1-CG1 4.07Å; F188-V200 HydrophobicContact CG-CG1 4.34Å; R189-V200 CarbonylContact O-C 3.4Å; R189-V200 VanDerWaalsContact O-CA 3.32Å; R189-V200 WeakPolarHBondContact O-CA 3.25Å; L190-V200 HydrophobicContact CD1-CG2 3.89Å
201	T	93.6	Very high	82.8	Confident	57 Å²	57	69.9 Å²	69.9	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136	177	-49.5	0	0	0	0	109.7	F188 R189	F188-T201 WeakPolarHBondContact CA-O 3.28Å; R189-T201 PolarHBondContact N-O 2.75Å; R189-T201 PolarHBondContact O-N 3.38Å
202	S	94.7	Very high	82.8	Confident	71 Å²	71	69.5 Å²	69.5	50%	0.497	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.3	171.8	-176.3	0	0	0	0	110.4
203	V	95.4	Very high	83	Confident	39 Å²	39	68.4 Å²	68.4	24%	0.236	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-43.8	-176.2	177.8	0	0	0	0	110.9	F175 V187 R189 I226 P248	F175-V203 HydrophobicContact CD1-CG2 4.14Å; F175-V203 HydrophobicContact CE1-CG1 4.12Å; F175-V203 HydrophobicContact CE1-CG2 3.77Å; V187-V203 HydrophobicContact CB-CB 4.34Å; V187-V203 HydrophobicContact CG1-CB 4.23Å; V187-V203 PolarHBondContact O-N 3.02Å; R189-V203 HydrophobicContact CB-CG2 3.53Å; V203-I226 HydrophobicContact CG1-CD1 4.08Å; V203-P248 HydrophobicContact CG1-CG 3.97Å
204	H	95.4	Very high	83.8	Confident	36 Å²	36	64.9 Å²	64.9	17%	0.167	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.7	-178.9	178.7	78.9	0	0	0	109.9	S186 V187 I226 M237	S186-H204 WeakPolarHBondContact CA-O 3.26Å; V187-H204 HydrophobicContact CB-CB 4.12Å; V187-H204 HydrophobicContact CG2-CB 4.06Å; V187-H204 PolarHBondContact N-O 2.77Å; V187-H204 PolarHBondContact O-N 2.87Å; H204-I226 HydrophobicContact CB-CD1 4.43Å; H204-M237 HydrophobicContact CB-CE 4.39Å; H204-M237 VanDerWaalsContact CE1-CE 3.46Å; H204-M237 WeakPolarHBondContact CE1-CE 3.42Å; H204-M237 WeakPolarHBondContact ND1-CE 3.43Å
205	E	95.4	Very high	85.4	Confident	135 Å²	135	62.3 Å²	62.3	63%	0.631	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	120.6	175.7	-174.7	174.6	-177.7	0	0	108.3
206	E	94	Very high	87.4	Confident	20 Å²	20	53 Å²	53	9%	0.093	32%	0.318	C	S	.	.			trans	-87.4	134.2	175.3	176.5	56.8	-102.3	0	0	110.3	S185 Q208 V211 V213 R254	S185-E206 WeakPolarHBondContact O-CB 3.23Å; S185-E206 PolarHBondContact O-N 3.06Å; E206-Q208 WeakPolarHBondContact OE1-CB 3.47Å; E206-Q208 PolarHBondContact OE1-N 3.04Å; E206-V211 HydrophobicContact CG-CB 3.7Å; E206-V211 HydrophobicContact CG-CG1 3.69Å; E206-V213 HydrophobicContact CB-CG2 3.62Å; E206-V213 HydrophobicContact CG-CG2 4.23Å; E206-R254 IonicContact OE1-NH1 2.67Å; E206-R254 PolarHBondContact OE1-NH1 3.46Å; E206-R254 IonicContact OE2-CZ 3.98Å; E206-R254 VanDerWaalsContact OE2-CZ 3.27Å; E206-R254 IonicContact OE2-NH1 3.82Å; E206-R254 PolarHBondContact OE2-NH1 3.19Å; E206-R254 IonicContact OE2-NH2 3.75Å; E206-R254 PolarHBondContact OE2-NH2 2.76Å
207	T	91.8	Very high	89	Confident	123 Å²	123	51.9 Å²	51.9	76%	0.755	30%	0.296	S	S	*	.			trans	-100.8	-20	-175.4	60.8	0	0	0	0	113
208	Q	89.4	Confident	90.5	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	26%	0.264	S	S	.	.			trans	-82.5	119.9	178.3	-68.6	179	24.9	0	0	109.5	E206 D210 V211	E206-Q208 WeakPolarHBondContact OE1-CB 3.47Å; E206-Q208 PolarHBondContact OE1-N 3.04Å; Q208-D210 PolarHBondContact O-N 3.02Å; Q208-V211 HydrophobicContact CB-CB 4.28Å; Q208-V211 HydrophobicContact CB-CG2 3.75Å; Q208-V211 PolarHBondContact O-N 2.84Å
209	P	84.5	Confident	91.2	Very high	81 Å²	81	47.6 Å²	47.6	53%	0.526	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.3	-174	28.9	-36.1	0	0	0	113.3	V211 V567	P209-V211 VanDerWaalsContact C-N 3.31Å; P209-V567 HydrophobicContact CG-CG1 4.17Å
210	D	82.9	Confident	91.3	Very high	45 Å²	45	44.1 Å²	44.1	24%	0.241	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.9	179.9	63.3	-58.7	0	0	0	114.3	Q208 S230 V567 E568	Q208-D210 PolarHBondContact O-N 3.02Å; D210-S230 WeakPolarHBondContact O-CB 3.41Å; D210-V567 HydrophobicContact CB-CG1 4.43Å; D210-E568 HydrophobicContact CB-CG 4.11Å
211	V	88.4	Confident	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.			trans	-108.9	128.6	-175.9	175	0	0	0	0	109.9	E206 Q208 P209 C228	E206-V211 HydrophobicContact CG-CB 3.7Å; E206-V211 HydrophobicContact CG-CG1 3.69Å; Q208-V211 HydrophobicContact CB-CB 4.28Å; Q208-V211 HydrophobicContact CB-CG2 3.75Å; Q208-V211 PolarHBondContact O-N 2.84Å; P209-V211 VanDerWaalsContact C-N 3.31Å; V211-C228 HydrophobicContact CG1-CB 3.87Å
212	F	89.8	Confident	91.1	Very high	17 Å²	17	45.5 Å²	45.5	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.7	179	-160.8	-88.3	0	0	0	110.8	V8 F164 L179 N229	V8-F212 HydrophobicContact CG2-CB 4.46Å; V8-F212 HydrophobicContact CG2-CD2 3.46Å; V8-F212 VanDerWaalsContact CG2-CD2 3.46Å; V8-F212 HydrophobicContact CG2-CE2 3.77Å; V8-F212 HydrophobicContact CG2-CG 3.96Å; F164-F212 HydrophobicContact CD1-CE1 4.03Å; F164-F212 HydrophobicContact CD1-CZ 4Å; F164-F212 AromaticContact CE1-CE1 3.49Å; F164-F212 HydrophobicContact CE1-CE1 3.49Å; F164-F212 VanDerWaalsContact CE1-CE1 3.49Å; F164-F212 AromaticContact CE1-CZ 3.67Å; F164-F212 HydrophobicContact CE1-CZ 3.67Å; F164-F212 HydrophobicContact CZ-CE1 4.06Å; F164-F212 AromaticContact CZ-CZ 3.95Å; F164-F212 HydrophobicContact CZ-CZ 3.95Å; L179-F212 HydrophobicContact CD1-CE2 3.82Å; L179-F212 HydrophobicContact CD1-CZ 3.93Å; F212-N229 PolarHBondContact N-O 3.38Å; F212-N229 PolarHBondContact O-N 2.98Å
213	V	92.7	Very high	91	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	-174.9	-173.9	0	0	0	0	110.6	T177 S184 V187 E206 I226 N227 C228	T177-V213 HydrophobicContact CG2-CG1 4.42Å; S184-V213 WeakPolarHBondContact CB-O 3.24Å; S184-V213 WeakPolarHBondContact O-CB 3.16Å; S184-V213 PolarHBondContact O-N 2.94Å; S184-V213 PolarHBondContact OG-O 3.46Å; S184-V213 VanDerWaalsContact OG-O 3.1Å; V187-V213 HydrophobicContact CG2-CG1 3.53Å; E206-V213 HydrophobicContact CB-CG2 3.62Å; E206-V213 HydrophobicContact CG-CG2 4.23Å; V213-I226 HydrophobicContact CG1-CG2 3.74Å; V213-N227 WeakPolarHBondContact CA-O 3.21Å; V213-C228 HydrophobicContact CG2-CB 4.34Å
214	E	92.4	Very high	91	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.3	174.7	62.8	170.7	175.5	0	0	111.9	T5 I226 N227	T5-E214 PolarHBondContact OG1-OE1 2.98Å; E214-I226 WeakPolarHBondContact O-CA 3.29Å; E214-N227 HydrophobicContact CG-CB 3.82Å; E214-N227 PolarHBondContact N-O 2.81Å; E214-N227 PolarHBondContact O-N 3.37Å
215	V	93.9	Very high	91	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.8	168.6	-63.3	0	0	0	0	111.4	S165 F175 T177 V187 L224 T225 I226	S165-V215 PolarHBondContact OG-N 3.22Å; F175-V215 HydrophobicContact CB-CG1 4.49Å; T177-V215 HydrophobicContact CG2-CG1 4.06Å; V187-V215 HydrophobicContact CG1-CG1 3.83Å; V187-V215 HydrophobicContact CG2-CG1 4.48Å; V215-L224 HydrophobicContact CB-CD2 4.44Å; V215-L224 HydrophobicContact CG1-CD2 4.43Å; V215-T225 VanDerWaalsContact CA-O 3.31Å; V215-T225 WeakPolarHBondContact CA-O 2.82Å; V215-I226 HydrophobicContact CG1-CG1 4.15Å
216	A	91.7	Very high	91	Very high	16 Å²	16	32.8 Å²	32.8	13%	0.132	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.2	175.4	0	0	0	0	0	110.9	L224 T225	A216-L224 CarbonylContact O-C 3.48Å; A216-L224 WeakPolarHBondContact O-CA 3.49Å; A216-T225 PolarHBondContact N-O 3.34Å; A216-T225 PolarHBondContact O-N 2.75Å; A216-T225 PolarHBondContact O-OG1 2.91Å
217	L	90.9	Very high	91.1	Very high	42 Å²	42	32.5 Å²	32.5	22%	0.22	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131	177	-171.2	69.5	0	0	0	108.4	E167 R221 L224	E167-L217 HydrophobicContact CB-CB 4.15Å; E167-L217 HydrophobicContact CG-CB 4Å; L217-R221 HydrophobicContact CD2-CB 3.9Å; L217-R221 HydrophobicContact CD2-CG 3.83Å; L217-R221 HydrophobicContact CG-CB 4.32Å; L217-R221 HydrophobicContact CG-CG 4.4Å; L217-L224 HydrophobicContact CD1-CB 4.13Å
218	S	91.5	Very high	91.2	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.042	14%	0.136	C	C	.	.			trans	-52.9	150.8	171.7	49.4	0	0	0	0	111.2	D220 R221 Q222 I223 E263	S218-D220 PolarHBondContact O-N 3.27Å; S218-D220 PolarHBondContact OG-OD1 3Å; S218-D220 VanDerWaalsContact OG-OD1 3.13Å; S218-R221 WeakPolarHBondContact O-CA 3.36Å; S218-R221 PolarHBondContact O-N 3.26Å; S218-Q222 PolarHBondContact OG-N 2.6Å; S218-I223 VanDerWaalsContact CB-O 3.3Å; S218-I223 WeakPolarHBondContact CB-O 3.19Å; S218-I223 PolarHBondContact N-O 3.48Å; S218-I223 WeakPolarHBondContact OG-CA 3.32Å; S218-I223 PolarHBondContact OG-N 2.98Å; S218-I223 PolarHBondContact OG-O 2.97Å; S218-E263 WeakPolarHBondContact CA-OE1 3.37Å; S218-E263 WeakPolarHBondContact CB-OE1 3.41Å
219	R	88	Confident	91.3	Very high	24 Å²	24	23.1 Å²	23.1	9%	0.091	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.8	-176.7	-162.4	-158.8	179.2	85.5	-3.5	112.4	R221 E263 D312 V313 P359 V367	R219-R221 PolarHBondContact O-N 2.92Å; R219-E263 PolarHBondContact N-OE1 2.92Å; R219-E263 VanDerWaalsContact N-OE1 3.07Å; R219-D312 IonicContact CZ-OD1 3Å; R219-D312 IonicContact NH1-OD1 2.68Å; R219-D312 PolarHBondContact NH1-OD1 2.86Å; R219-D312 IonicContact NH1-OD2 2.94Å; R219-D312 PolarHBondContact NH1-OD2 2.86Å; R219-V313 WeakPolarHBondContact CD-O 2.96Å; R219-V313 PolarHBondContact NE-O 2.86Å; R219-P359 HydrophobicContact CG-CG 4.2Å; R219-V367 PolarHBondContact NH2-O 3.34Å; R219-V367 VanDerWaalsContact NH2-O 3.17Å
220	D	88.6	Confident	91.5	Very high	53 Å²	53	19.9 Å²	19.9	28%	0.283	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.7	175.8	81	-15	0	0	0	114	S218 Q222 H264	S218-D220 PolarHBondContact O-N 3.27Å; S218-D220 PolarHBondContact OG-OD1 3Å; S218-D220 VanDerWaalsContact OG-OD1 3.13Å; D220-Q222 PolarHBondContact O-N 2.83Å; D220-Q222 PolarHBondContact OD1-N 2.89Å; D220-Q222 PolarHBondContact OD2-NE2 3.01Å; D220-H264 VanDerWaalsContact CG-ND1 3.29Å; D220-H264 IonicContact OD1-CG 3.63Å; D220-H264 IonicContact OD1-ND1 2.69Å; D220-H264 PolarHBondContact OD1-ND1 3.17Å; D220-H264 VanDerWaalsContact OD1-ND1 3.14Å; D220-H264 IonicContact OD2-CE1 3.33Å; D220-H264 PolarHBondContact OD2-CE1 3.26Å; D220-H264 VanDerWaalsContact OD2-CE1 3.25Å; D220-H264 IonicContact OD2-CG 2.73Å; D220-H264 IonicContact OD2-ND1 2.89Å; D220-H264 PolarHBondContact OD2-ND1 3.4Å
221	R	89.8	Confident	91.5	Very high	76 Å²	76	20.1 Å²	20.1	29%	0.287	10%	0.097	S	C	.	.	S	Bend	trans	63.4	23.7	172.9	-49.9	-177.9	-175.9	-163.7	1.2	114.8	L217 S218 R219 V241 P359 G360 L361	L217-R221 HydrophobicContact CD2-CB 3.9Å; L217-R221 HydrophobicContact CD2-CG 3.83Å; L217-R221 HydrophobicContact CG-CB 4.32Å; L217-R221 HydrophobicContact CG-CG 4.4Å; S218-R221 WeakPolarHBondContact O-CA 3.36Å; S218-R221 PolarHBondContact O-N 3.26Å; R219-R221 PolarHBondContact O-N 2.92Å; R221-V241 WeakPolarHBondContact O-CG2 3.48Å; R221-P359 PolarHBondContact NH2-O 3.08Å; R221-G360 PolarHBondContact NH2-O 2.99Å; R221-L361 VanDerWaalsContact NH1-CG 3.33Å
222	Q	91.6	Very high	91.4	Very high	80 Å²	80	20.6 Å²	20.6	37%	0.374	10%	0.099	S	C	.	.	S	Bend	trans	-97.1	-25.8	177.8	-65.7	-174.8	64.3	0	0	112.5	S218 D220 V241 T242	S218-Q222 PolarHBondContact OG-N 2.6Å; D220-Q222 PolarHBondContact O-N 2.83Å; D220-Q222 PolarHBondContact OD1-N 2.89Å; D220-Q222 PolarHBondContact OD2-NE2 3.01Å; Q222-V241 VanDerWaalsContact O-CG2 3.32Å; Q222-V241 WeakPolarHBondContact O-CG2 3.44Å; Q222-V241 PolarHBondContact O-N 2.94Å; Q222-T242 HydrophobicContact CB-CG2 4.14Å; Q222-T242 HydrophobicContact CG-CG2 4.17Å
223	I	93.3	Very high	91.5	Very high	5 Å²	5	20 Å²	20	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.6	-177.9	-58.1	-60.6	0	0	0	110.1	S218 T225 L238 I239 D240 H264	S218-I223 VanDerWaalsContact CB-O 3.3Å; S218-I223 WeakPolarHBondContact CB-O 3.19Å; S218-I223 PolarHBondContact N-O 3.48Å; S218-I223 WeakPolarHBondContact OG-CA 3.32Å; S218-I223 PolarHBondContact OG-N 2.98Å; S218-I223 PolarHBondContact OG-O 2.97Å; I223-T225 HydrophobicContact CG2-CG2 4.32Å; I223-L238 HydrophobicContact CG2-CB 4.14Å; I223-L238 HydrophobicContact CG2-CD1 4.46Å; I223-L238 HydrophobicContact CG2-CD2 3.65Å; I223-L238 HydrophobicContact CG2-CG 4.29Å; I223-I239 WeakPolarHBondContact CA-O 3.48Å; I223-D240 HydrophobicContact CD1-CB 4.06Å; I223-H264 HydrophobicContact CB-CB 4.01Å; I223-H264 HydrophobicContact CG1-CB 3.72Å; I223-H264 VanDerWaalsContact CG1-CG 3.46Å
224	L	95	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.1	165.2	-175.7	151.1	0	0	0	108.6	E167 F175 V215 A216 L217 I226 I239 V241	E167-L224 HydrophobicContact CB-CD1 4Å; F175-L224 HydrophobicContact CB-CD1 3.92Å; F175-L224 HydrophobicContact CB-CD2 4.39Å; F175-L224 HydrophobicContact CD2-CD1 3.9Å; F175-L224 HydrophobicContact CG-CD1 4.09Å; F175-L224 HydrophobicContact CG-CD2 4.37Å; V215-L224 HydrophobicContact CB-CD2 4.44Å; V215-L224 HydrophobicContact CG1-CD2 4.43Å; A216-L224 CarbonylContact O-C 3.48Å; A216-L224 WeakPolarHBondContact O-CA 3.49Å; L217-L224 HydrophobicContact CD1-CB 4.13Å; L224-I226 HydrophobicContact CD2-CG1 4.48Å; L224-I239 HydrophobicContact CB-CB 4.26Å; L224-I239 HydrophobicContact CD2-CB 4.43Å; L224-I239 HydrophobicContact CD2-CD1 3.83Å; L224-I239 PolarHBondContact N-O 3.23Å; L224-I239 PolarHBondContact O-N 2.73Å; L224-V241 HydrophobicContact CB-CG1 3.83Å
225	T	95.2	Very high	91.7	Very high	9 Å²	9	21.3 Å²	21.3	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.8	179.5	63.7	0	0	0	0	110.3	V215 A216 I223 N227 V236 M237 L238	V215-T225 VanDerWaalsContact CA-O 3.31Å; V215-T225 WeakPolarHBondContact CA-O 2.82Å; A216-T225 PolarHBondContact N-O 3.34Å; A216-T225 PolarHBondContact O-N 2.75Å; A216-T225 PolarHBondContact O-OG1 2.91Å; I223-T225 HydrophobicContact CG2-CG2 4.32Å; T225-N227 WeakPolarHBondContact CB-OD1 3.48Å; T225-N227 PolarHBondContact OG1-ND2 3.05Å; T225-N227 PolarHBondContact OG1-OD1 2.85Å; T225-V236 HydrophobicContact CG2-CG1 4.36Å; T225-M237 CarbonylContact C-O 3.43Å; T225-M237 VanDerWaalsContact CA-O 3.3Å; T225-M237 WeakPolarHBondContact CA-O 3.49Å; T225-L238 HydrophobicContact CG2-CD2 3.71Å
226	I	96.2	Very high	91.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.9	160.6	-56.5	167.8	0	0	0	106.1	V187 V203 H204 V213 E214 V215 L224 V236 M237 I239 P248	V187-I226 HydrophobicContact CB-CD1 4.48Å; V187-I226 HydrophobicContact CG1-CD1 4.12Å; V187-I226 HydrophobicContact CG1-CG1 4.32Å; V187-I226 HydrophobicContact CG2-CD1 4.3Å; V187-I226 HydrophobicContact CG2-CG1 4.36Å; V187-I226 HydrophobicContact CG2-CG2 3.63Å; V203-I226 HydrophobicContact CG1-CD1 4.08Å; H204-I226 HydrophobicContact CB-CD1 4.43Å; V213-I226 HydrophobicContact CG1-CG2 3.74Å; E214-I226 WeakPolarHBondContact O-CA 3.29Å; V215-I226 HydrophobicContact CG1-CG1 4.15Å; L224-I226 HydrophobicContact CD2-CG1 4.48Å; I226-V236 WeakPolarHBondContact O-CA 3.18Å; I226-M237 HydrophobicContact CB-CB 4.18Å; I226-M237 HydrophobicContact CB-CE 3.89Å; I226-M237 HydrophobicContact CD1-CE 4.41Å; I226-M237 HydrophobicContact CD1-SD 4.43Å; I226-M237 HydrophobicContact CG2-CE 3.52Å; I226-M237 PolarHBondContact N-O 3.1Å; I226-M237 PolarHBondContact O-N 2.96Å; I226-I239 HydrophobicContact CD1-CD1 3.96Å; I226-I239 HydrophobicContact CG1-CD1 4.3Å; I226-P248 HydrophobicContact CD1-CB 4.2Å
227	N	95	Very high	91.9	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.07	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.3	-177.4	-49.6	-51.2	0	0	0	109.1	V213 E214 T225 N229 V236	V213-N227 WeakPolarHBondContact CA-O 3.21Å; E214-N227 HydrophobicContact CG-CB 3.82Å; E214-N227 PolarHBondContact N-O 2.81Å; E214-N227 PolarHBondContact O-N 3.37Å; T225-N227 WeakPolarHBondContact CB-OD1 3.48Å; T225-N227 PolarHBondContact OG1-ND2 3.05Å; T225-N227 PolarHBondContact OG1-OD1 2.85Å; N227-N229 WeakPolarHBondContact CB-ND2 3.4Å; N227-V236 WeakPolarHBondContact OD1-CG1 3.39Å
228	C	94.7	Very high	92	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	106	177	-53.8	0	0	0	0	108.5	V211 V213 S234 E235 M237	V211-C228 HydrophobicContact CG1-CB 3.87Å; V213-C228 HydrophobicContact CG2-CB 4.34Å; C228-S234 CarbonylContact O-C 3.52Å; C228-E235 HydrophobicContact CB-CB 4.33Å; C228-E235 PolarHBondContact N-O 2.95Å; C228-E235 PolarHBondContact O-N 3.46Å; C228-M237 VanDerWaalsContact SG-CE 3.56Å
229	N	91.4	Very high	92.2	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.043	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.5	-170.5	-60.2	-72	0	0	0	112.4	T5 F212 N227 S233 S234	T5-N229 HydrophobicContact CG2-CB 3.44Å; T5-N229 VanDerWaalsContact CG2-CB 3.44Å; T5-N229 WeakPolarHBondContact CG2-ND2 3.3Å; F212-N229 PolarHBondContact N-O 3.38Å; F212-N229 PolarHBondContact O-N 2.98Å; N227-N229 WeakPolarHBondContact CB-ND2 3.4Å; N229-S233 WeakPolarHBondContact CA-O 3.16Å; N229-S234 WeakPolarHBondContact OD1-CB 3.16Å; N229-S234 PolarHBondContact OD1-OG 2.83Å
230	S	87.6	Confident	92.4	Very high	13 Å²	13	18.7 Å²	18.7	9%	0.091	9%	0.089	C	C	.	.			trans	-103.5	-178.3	159.6	75.7	0	0	0	0	109.8	D210 T232 S233	D210-S230 WeakPolarHBondContact O-CB 3.41Å; S230-T232 PolarHBondContact O-N 2.89Å; S230-T232 PolarHBondContact OG-N 3.07Å; S230-T232 PolarHBondContact OG-OG1 2.97Å; S230-S233 PolarHBondContact N-O 3.1Å; S230-S233 PolarHBondContact OG-N 2.98Å; S230-S233 PolarHBondContact OG-OG 3.39Å
231	R	83.6	Confident	92.6	Very high	51 Å²	51	17.1 Å²	17.1	19%	0.192	8%	0.081	C	C	.	.	S	Bend	trans	-67	-17.5	175.2	-69.4	-173.3	168.3	104.9	-5.1	113.7	E568 D569 D571	R231-E568 VanDerWaalsContact NH1-CB 3.3Å; R231-E568 PolarHBondContact NH1-O 3.47Å; R231-D569 IonicContact CZ-OD1 3.56Å; R231-D569 IonicContact NH1-OD1 3.93Å; R231-D569 PolarHBondContact NH1-OD1 3.15Å; R231-D569 IonicContact NH2-OD1 2.89Å; R231-D569 PolarHBondContact NH2-OD1 3.36Å; R231-D571 HydrophobicContact CB-CB 4.02Å
232	T	86.3	Confident	92.6	Very high	9 Å²	9	18 Å²	18	6%	0.055	10%	0.095	C	C	.	.	S	Bend	trans	-122.8	-12.5	-172.5	45.1	0	0	0	0	113.2	S230 D257 L258 D571	S230-T232 PolarHBondContact O-N 2.89Å; S230-T232 PolarHBondContact OG-N 3.07Å; S230-T232 PolarHBondContact OG-OG1 2.97Å; T232-D257 CarbonylContact O-C 3.5Å; T232-D257 WeakPolarHBondContact O-CA 3.35Å; T232-D257 PolarHBondContact O-N 3.37Å; T232-L258 PolarHBondContact O-N 2.86Å; T232-D571 HydrophobicContact CG2-CB 4.44Å; T232-D571 WeakPolarHBondContact CG2-OD2 3.47Å; T232-D571 PolarHBondContact OG1-OD2 3.5Å
233	S	92	Very high	92.4	Very high	5 Å²	5	19.9 Å²	19.9	4%	0.035	10%	0.102	C	C	.	.			trans	-149.6	150.8	-176.4	68.6	0	0	0	0	113.7	N229 S230 R254 Q255 L258	N229-S233 WeakPolarHBondContact CA-O 3.16Å; S230-S233 PolarHBondContact N-O 3.1Å; S230-S233 PolarHBondContact OG-N 2.98Å; S230-S233 PolarHBondContact OG-OG 3.39Å; S233-R254 VanDerWaalsContact OG-CD 3.28Å; S233-R254 WeakPolarHBondContact OG-CD 3.47Å; S233-R254 WeakPolarHBondContact OG-CG 3.49Å; S233-Q255 WeakPolarHBondContact CB-O 3.43Å; S233-L258 CarbonylContact C-O 3.54Å; S233-L258 WeakPolarHBondContact CA-O 3.39Å
234	S	93.8	Very high	92	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	149.4	174.5	-61.7	0	0	0	0	111	C228 N229 L258 Y260	C228-S234 CarbonylContact O-C 3.52Å; N229-S234 WeakPolarHBondContact OD1-CB 3.16Å; N229-S234 PolarHBondContact OD1-OG 2.83Å; S234-L258 PolarHBondContact N-O 3.42Å; S234-Y260 WeakPolarHBondContact CB-O 3.4Å; S234-Y260 WeakPolarHBondContact O-CE1 3.47Å; S234-Y260 PolarHBondContact OG-N 2.78Å; S234-Y260 PolarHBondContact OG-O 2.85Å
235	E	94.8	Very high	91.5	Very high	34 Å²	34	34.3 Å²	34.3	16%	0.159	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127	163.5	-178	171.5	94.8	0	0	108.6	C228 V250 P253 R254 Y260	C228-E235 HydrophobicContact CB-CB 4.33Å; C228-E235 PolarHBondContact N-O 2.95Å; C228-E235 PolarHBondContact O-N 3.46Å; E235-V250 HydrophobicContact CG-CG1 4.16Å; E235-P253 VanDerWaalsContact OE2-CA 3.3Å; E235-P253 WeakPolarHBondContact OE2-CA 3.21Å; E235-R254 HydrophobicContact CB-CB 4.2Å; E235-R254 PolarHBondContact OE2-N 2.91Å; E235-Y260 WeakPolarHBondContact CA-OH 3.48Å
236	V	94.9	Very high	91.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128	-178.2	-179	0	0	0	0	109.7	T225 I226 N227 L238 I251 Y260 V262	T225-V236 HydrophobicContact CG2-CG1 4.36Å; I226-V236 WeakPolarHBondContact O-CA 3.18Å; N227-V236 WeakPolarHBondContact OD1-CG1 3.39Å; V236-L238 HydrophobicContact CG1-CD2 4.19Å; V236-I251 HydrophobicContact CB-CD1 4.1Å; V236-I251 HydrophobicContact CG1-CD1 3.92Å; V236-I251 PolarHBondContact O-N 2.76Å; V236-Y260 HydrophobicContact CB-CE2 3.81Å; V236-Y260 HydrophobicContact CG2-CD2 4.16Å; V236-Y260 HydrophobicContact CG2-CE2 3.65Å; V236-Y260 PolarHBondContact N-OH 2.92Å; V236-V262 HydrophobicContact CB-CG2 4.39Å; V236-V262 HydrophobicContact CG1-CB 4.35Å; V236-V262 HydrophobicContact CG1-CG2 4.31Å; V236-V262 HydrophobicContact CG2-CG2 4.38Å
237	M	95.2	Very high	91	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.044	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	143	169.5	-62.9	164.6	-90.8	0	0	110.5	H204 T225 I226 C228 P248 F249 V250	H204-M237 HydrophobicContact CB-CE 4.39Å; H204-M237 VanDerWaalsContact CE1-CE 3.46Å; H204-M237 WeakPolarHBondContact CE1-CE 3.42Å; H204-M237 WeakPolarHBondContact ND1-CE 3.43Å; T225-M237 CarbonylContact C-O 3.43Å; T225-M237 VanDerWaalsContact CA-O 3.3Å; T225-M237 WeakPolarHBondContact CA-O 3.49Å; I226-M237 HydrophobicContact CB-CB 4.18Å; I226-M237 HydrophobicContact CB-CE 3.89Å; I226-M237 HydrophobicContact CD1-CE 4.41Å; I226-M237 HydrophobicContact CD1-SD 4.43Å; I226-M237 HydrophobicContact CG2-CE 3.52Å; I226-M237 PolarHBondContact N-O 3.1Å; I226-M237 PolarHBondContact O-N 2.96Å; C228-M237 VanDerWaalsContact SG-CE 3.56Å; M237-P248 HydrophobicContact CB-CB 4.15Å; M237-P248 HydrophobicContact SD-CB 4.37Å; M237-F249 CarbonylContact C-O 3.54Å; M237-F249 VanDerWaalsContact CA-O 3.24Å; M237-F249 WeakPolarHBondContact CA-O 3.45Å; M237-V250 HydrophobicContact CG-CB 4.46Å; M237-V250 HydrophobicContact CG-CG2 3.67Å; M237-V250 HydrophobicContact SD-CG2 4.46Å
238	L	94.3	Very high	90.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	140.3	178.3	-59.7	-174	0	0	0	111.2	I223 T225 V236 P248 F249 I251 L269	I223-L238 HydrophobicContact CG2-CB 4.14Å; I223-L238 HydrophobicContact CG2-CD1 4.46Å; I223-L238 HydrophobicContact CG2-CD2 3.65Å; I223-L238 HydrophobicContact CG2-CG 4.29Å; T225-L238 HydrophobicContact CG2-CD2 3.71Å; V236-L238 HydrophobicContact CG1-CD2 4.19Å; L238-P248 WeakPolarHBondContact O-CA 3.29Å; L238-F249 HydrophobicContact CB-CD1 4.23Å; L238-F249 HydrophobicContact CB-CD2 4.48Å; L238-F249 HydrophobicContact CB-CE1 3.67Å; L238-F249 HydrophobicContact CB-CE2 3.96Å; L238-F249 HydrophobicContact CB-CZ 3.53Å; L238-F249 HydrophobicContact CD1-CE2 3.94Å; L238-F249 HydrophobicContact CD1-CZ 3.79Å; L238-F249 HydrophobicContact CG-CE2 4.3Å; L238-F249 HydrophobicContact CG-CZ 4.19Å; L238-F249 PolarHBondContact N-O 3.46Å; L238-F249 WeakPolarHBondContact O-CD1 3.21Å; L238-F249 PolarHBondContact O-N 3.35Å; L238-I251 HydrophobicContact CD1-CD1 3.76Å; L238-I251 HydrophobicContact CD1-CG1 3.81Å; L238-I251 HydrophobicContact CD2-CD1 3.73Å; L238-I251 HydrophobicContact CD2-CG1 4.31Å; L238-I251 HydrophobicContact CG-CD1 3.64Å; L238-I251 HydrophobicContact CG-CG1 3.68Å; L238-L269 HydrophobicContact CD1-CD1 3.79Å; L238-L269 HydrophobicContact CD1-CD2 3.71Å; L238-L269 HydrophobicContact CD1-CG 4.41Å
239	I	94.9	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.7	169.3	-65.2	163.1	0	0	0	107.1	F175 I223 L224 I226 V241 L246 P248	F175-I239 HydrophobicContact CD1-CD1 4.1Å; F175-I239 HydrophobicContact CE1-CD1 3.64Å; F175-I239 HydrophobicContact CZ-CD1 3.96Å; I223-I239 WeakPolarHBondContact CA-O 3.48Å; L224-I239 HydrophobicContact CB-CB 4.26Å; L224-I239 HydrophobicContact CD2-CB 4.43Å; L224-I239 HydrophobicContact CD2-CD1 3.83Å; L224-I239 PolarHBondContact N-O 3.23Å; L224-I239 PolarHBondContact O-N 2.73Å; I226-I239 HydrophobicContact CD1-CD1 3.96Å; I226-I239 HydrophobicContact CG1-CD1 4.3Å; I239-V241 PolarHBondContact O-N 3.48Å; I239-L246 HydrophobicContact CG2-CB 3.98Å; I239-L246 HydrophobicContact CG2-CD2 4.07Å; I239-P248 HydrophobicContact CD1-CB 4.13Å; I239-P248 HydrophobicContact CG1-CB 3.81Å
240	D	93.1	Very high	90.7	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.144	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.3	175.4	-178.4	-13.5	0	0	0	109.5	I223 T242 K243	I223-D240 HydrophobicContact CD1-CB 4.06Å; D240-T242 PolarHBondContact O-N 3.42Å; D240-T242 WeakPolarHBondContact OD1-CB 3.35Å; D240-T242 PolarHBondContact OD1-N 3.34Å; D240-T242 PolarHBondContact OD1-OG1 3.38Å; D240-K243 HydrophobicContact CB-CD 4.08Å; D240-K243 HydrophobicContact CB-CG 4.3Å; D240-K243 PolarHBondContact O-N 2.89Å; D240-K243 WeakPolarHBondContact OD2-CD 3.14Å; D240-K243 WeakPolarHBondContact OD2-CE 3.25Å; D240-K243 IonicContact OD2-NZ 2.66Å; D240-K243 PolarHBondContact OD2-NZ 3.03Å
241	V	93	Very high	90.8	Very high	20 Å²	20	48.3 Å²	48.3	12%	0.121	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.8	-174.5	-54.1	0	0	0	0	112.9	A169 R221 Q222 L224 I239 K243 L246	A169-V241 HydrophobicContact CB-CB 4.3Å; A169-V241 HydrophobicContact CB-CG1 3.76Å; R221-V241 WeakPolarHBondContact O-CG2 3.48Å; Q222-V241 VanDerWaalsContact O-CG2 3.32Å; Q222-V241 WeakPolarHBondContact O-CG2 3.44Å; Q222-V241 PolarHBondContact O-N 2.94Å; L224-V241 HydrophobicContact CB-CG1 3.83Å; I239-V241 PolarHBondContact O-N 3.48Å; V241-K243 VanDerWaalsContact C-N 3.34Å; V241-L246 HydrophobicContact CB-CD2 4.49Å
242	T	88.3	Confident	90.9	Very high	93 Å²	93	48 Å²	48	57%	0.571	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-16.1	175.2	76.6	0	0	0	0	112.5	Q222 D240	Q222-T242 HydrophobicContact CB-CG2 4.14Å; Q222-T242 HydrophobicContact CG-CG2 4.17Å; D240-T242 PolarHBondContact O-N 3.42Å; D240-T242 WeakPolarHBondContact OD1-CB 3.35Å; D240-T242 PolarHBondContact OD1-N 3.34Å; D240-T242 PolarHBondContact OD1-OG1 3.38Å
243	K	88.2	Confident	91.1	Very high	120 Å²	120	52 Å²	52	52%	0.522	27%	0.27	S	S	.	.	S	Bend	trans	-88.9	151.4	178.7	-70.9	179.5	179.6	126.8	0	111.7	D240 V241 R245	D240-K243 HydrophobicContact CB-CD 4.08Å; D240-K243 HydrophobicContact CB-CG 4.3Å; D240-K243 PolarHBondContact O-N 2.89Å; D240-K243 WeakPolarHBondContact OD2-CD 3.14Å; D240-K243 WeakPolarHBondContact OD2-CE 3.25Å; D240-K243 IonicContact OD2-NZ 2.66Å; D240-K243 PolarHBondContact OD2-NZ 3.03Å; V241-K243 VanDerWaalsContact C-N 3.34Å; K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 2.81Å
244	S	84.1	Confident	91.1	Very high	123 Å²	123	54.2 Å²	54.2	86%	0.86	28%	0.278	S	S	*	.	S	Bend	trans	-68.7	-29.3	175.1	57.3	0	0	0	0	113.1
245	R	86	Confident	91.1	Very high	186 Å²	186	58.7 Å²	58.7	70%	0.702	30%	0.299	S	S	*	.			trans	-98.2	110.6	173.6	-67.3	-170.3	-177.4	-149.2	3.3	109.8	K243 E247	K243-R245 VanDerWaalsContact C-N 3.3Å; K243-R245 PolarHBondContact O-N 2.81Å; R245-E247 VanDerWaalsContact C-N 3.32Å; R245-E247 PolarHBondContact O-N 2.54Å
246	L	89.3	Confident	90.9	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.073	32%	0.321	C	S	.	.			trans	-92.1	62.3	178.8	-57.7	175	0	0	0	110.2	A169 V173 F175 I239 V241	A169-L246 HydrophobicContact CB-CD1 4.1Å; V173-L246 HydrophobicContact CB-CD1 4.29Å; V173-L246 HydrophobicContact CG1-CD1 3.9Å; V173-L246 HydrophobicContact CG2-CD1 4.35Å; F175-L246 HydrophobicContact CE2-CD1 4.21Å; F175-L246 HydrophobicContact CZ-CB 4.16Å; I239-L246 HydrophobicContact CG2-CB 3.98Å; I239-L246 HydrophobicContact CG2-CD2 4.07Å; V241-L246 HydrophobicContact CB-CD2 4.49Å
247	E	89.7	Confident	90.7	Very high	128 Å²	128	66.5 Å²	66.5	60%	0.598	34%	0.341	S	S	*	.			trans	-97.9	131	178.1	-71.3	176.3	-166.8	0	0	110	R245	R245-E247 VanDerWaalsContact C-N 3.32Å; R245-E247 PolarHBondContact O-N 2.54Å
248	P	92.8	Very high	90.6	Very high	50 Å²	50	66.4 Å²	66.4	33%	0.325	34%	0.34	S	S	.	.			trans	-72.7	143.6	177.9	29.3	-33.6	0	0	0	111.5	V203 I226 M237 L238 I239	V203-P248 HydrophobicContact CG1-CG 3.97Å; I226-P248 HydrophobicContact CD1-CB 4.2Å; M237-P248 HydrophobicContact CB-CB 4.15Å; M237-P248 HydrophobicContact SD-CB 4.37Å; L238-P248 WeakPolarHBondContact O-CA 3.29Å; I239-P248 HydrophobicContact CD1-CB 4.13Å; I239-P248 HydrophobicContact CG1-CB 3.81Å
249	F	90.9	Very high	90.6	Very high	74 Å²	74	67.5 Å²	67.5	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.1	168.8	66.9	-87.1	0	0	0	111.4	M237 L238 P291	M237-F249 CarbonylContact C-O 3.54Å; M237-F249 VanDerWaalsContact CA-O 3.24Å; M237-F249 WeakPolarHBondContact CA-O 3.45Å; L238-F249 HydrophobicContact CB-CD1 4.23Å; L238-F249 HydrophobicContact CB-CD2 4.48Å; L238-F249 HydrophobicContact CB-CE1 3.67Å; L238-F249 HydrophobicContact CB-CE2 3.96Å; L238-F249 HydrophobicContact CB-CZ 3.53Å; L238-F249 HydrophobicContact CD1-CE2 3.94Å; L238-F249 HydrophobicContact CD1-CZ 3.79Å; L238-F249 HydrophobicContact CG-CE2 4.3Å; L238-F249 HydrophobicContact CG-CZ 4.19Å; L238-F249 PolarHBondContact N-O 3.46Å; L238-F249 WeakPolarHBondContact O-CD1 3.21Å; L238-F249 PolarHBondContact O-N 3.35Å; F249-P291 HydrophobicContact CE2-CG 4.24Å
250	V	91.6	Very high	90.6	Very high	62 Å²	62	67.5 Å²	67.5	38%	0.376	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.3	-177.6	177.1	0	0	0	0	110.4	E235 M237 R252	E235-V250 HydrophobicContact CG-CG1 4.16Å; M237-V250 HydrophobicContact CG-CB 4.46Å; M237-V250 HydrophobicContact CG-CG2 3.67Å; M237-V250 HydrophobicContact SD-CG2 4.46Å; V250-R252 VanDerWaalsContact CG1-C 3.43Å
251	I	89.4	Confident	90.7	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.041	34%	0.341	C	S	.	.	S	Bend	trans	-73.3	-55.9	172.1	-65.4	177.8	0	0	0	109.9	V236 L238 Y260 V262 L269 P291 W296	V236-I251 HydrophobicContact CB-CD1 4.1Å; V236-I251 HydrophobicContact CG1-CD1 3.92Å; V236-I251 PolarHBondContact O-N 2.76Å; L238-I251 HydrophobicContact CD1-CD1 3.76Å; L238-I251 HydrophobicContact CD1-CG1 3.81Å; L238-I251 HydrophobicContact CD2-CD1 3.73Å; L238-I251 HydrophobicContact CD2-CG1 4.31Å; L238-I251 HydrophobicContact CG-CD1 3.64Å; L238-I251 HydrophobicContact CG-CG1 3.68Å; I251-Y260 HydrophobicContact CG2-CE2 4.31Å; I251-V262 HydrophobicContact CD1-CB 4.03Å; I251-V262 HydrophobicContact CD1-CG1 3.82Å; I251-V262 HydrophobicContact CD1-CG2 3.58Å; I251-L269 HydrophobicContact CD1-CD1 4.21Å; I251-L269 HydrophobicContact CG1-CD1 4.49Å; I251-P291 HydrophobicContact CB-CB 4.19Å; I251-P291 HydrophobicContact CG1-CB 4.19Å; I251-P291 HydrophobicContact CG2-CB 3.91Å; I251-P291 WeakPolarHBondContact CG2-O 3.1Å; I251-W296 HydrophobicContact CG2-CZ2 4.26Å
252	R	86.8	Confident	90.7	Very high	46 Å²	46	66.2 Å²	66.2	17%	0.174	34%	0.339	C	S	.	.	S	Bend	trans	-146.4	130.4	179.2	-171.3	-162.6	176.4	130.4	-1.5	109.5	V250 L258 Y260 T293 W296	V250-R252 VanDerWaalsContact CG1-C 3.43Å; R252-L258 VanDerWaalsContact CD-CD2 3.47Å; R252-L258 VanDerWaalsContact NE-CD2 3.29Å; R252-Y260 HydrophobicContact CB-CE1 4.44Å; R252-Y260 PolarHBondContact O-OH 3.37Å; R252-T293 WeakPolarHBondContact CD-OG1 3.19Å; R252-T293 VanDerWaalsContact NH1-CB 3.29Å; R252-T293 PolarHBondContact NH1-OG1 3.4Å; R252-W296 HydrophobicContact CB-CZ2 4.49Å
253	P	90.4	Very high	91	Very high	93 Å²	93	62.6 Å²	62.6	60%	0.604	32%	0.315	S	S	*	.			trans	-55.7	147.8	171.1	-24.3	34.1	0	0	0	112.1	E235 Q255	E235-P253 VanDerWaalsContact OE2-CA 3.3Å; E235-P253 WeakPolarHBondContact OE2-CA 3.21Å; P253-Q255 PolarHBondContact O-N 3.24Å
254	R	92.3	Very high	91.3	Very high	50 Å²	50	57.3 Å²	57.3	19%	0.189	29%	0.293	C	S	.	.			trans	-49.7	134.4	176.6	-173.7	172.3	-68	139.7	17.9	111.7	E206 S233 E235	E206-R254 IonicContact OE1-NH1 2.67Å; E206-R254 PolarHBondContact OE1-NH1 3.46Å; E206-R254 IonicContact OE2-CZ 3.98Å; E206-R254 VanDerWaalsContact OE2-CZ 3.27Å; E206-R254 IonicContact OE2-NH1 3.82Å; E206-R254 PolarHBondContact OE2-NH1 3.19Å; E206-R254 IonicContact OE2-NH2 3.75Å; E206-R254 PolarHBondContact OE2-NH2 2.76Å; S233-R254 VanDerWaalsContact OG-CD 3.28Å; S233-R254 WeakPolarHBondContact OG-CD 3.47Å; S233-R254 WeakPolarHBondContact OG-CG 3.49Å; E235-R254 HydrophobicContact CB-CB 4.2Å; E235-R254 PolarHBondContact OE2-N 2.91Å
255	Q	92.8	Very high	91.7	Very high	94 Å²	94	53 Å²	53	44%	0.439	26%	0.258	S	S	.	.			trans	-134	136.5	171	-171.8	-174.4	-71.5	0	0	109.4	S233 P253 L258	S233-Q255 WeakPolarHBondContact CB-O 3.43Å; P253-Q255 PolarHBondContact O-N 3.24Å; Q255-L258 HydrophobicContact CB-CB 4.12Å; Q255-L258 HydrophobicContact CB-CD2 4.24Å; Q255-L258 PolarHBondContact O-N 3.25Å
256	L	91.7	Very high	91.9	Very high	120 Å²	120	49.9 Å²	49.9	63%	0.628	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	139.9	174.1	-171.2	66.5	0	0	0	110.9	L258	L256-L258 PolarHBondContact O-N 3.46Å
257	D	90.6	Very high	91.9	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	15	-178.5	-61.5	-41.9	0	0	0	115.6	T232 N274	T232-D257 CarbonylContact O-C 3.5Å; T232-D257 WeakPolarHBondContact O-CA 3.35Å; T232-D257 PolarHBondContact O-N 3.37Å; D257-N274 PolarHBondContact O-ND2 3.49Å
258	L	93.5	Very high	92	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.245	C	C	.	.			trans	-109.6	105.2	173.3	-178.6	67.1	0	0	0	110.6	T232 S233 S234 R252 Q255 L256 Y260 N274 T275	T232-L258 PolarHBondContact O-N 2.86Å; S233-L258 CarbonylContact C-O 3.54Å; S233-L258 WeakPolarHBondContact CA-O 3.39Å; S234-L258 PolarHBondContact N-O 3.42Å; R252-L258 VanDerWaalsContact CD-CD2 3.47Å; R252-L258 VanDerWaalsContact NE-CD2 3.29Å; Q255-L258 HydrophobicContact CB-CB 4.12Å; Q255-L258 HydrophobicContact CB-CD2 4.24Å; Q255-L258 PolarHBondContact O-N 3.25Å; L256-L258 PolarHBondContact O-N 3.46Å; L258-Y260 HydrophobicContact CD2-CD1 4.31Å; L258-Y260 HydrophobicContact CG-CD1 4.16Å; L258-N274 WeakPolarHBondContact CA-OD1 3.18Å; L258-T275 HydrophobicContact CD1-CG2 3.65Å
259	L	93.9	Very high	92.1	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	23%	0.23	C	C	.	.			trans	-98	130.2	171.1	-62.3	175.1	0	0	0	108.9	A273 N274 Y281 L483	L259-A273 VanDerWaalsContact O-CA 3.31Å; L259-A273 WeakPolarHBondContact O-CA 3.46Å; L259-N274 HydrophobicContact CB-CB 4.38Å; L259-N274 PolarHBondContact N-OD1 3.29Å; L259-N274 PolarHBondContact O-N 2.73Å; L259-N274 PolarHBondContact O-OD1 3.49Å; L259-Y281 HydrophobicContact CB-CE1 4.25Å; L259-L483 HydrophobicContact CD1-CD2 4.39Å
260	Y	94.4	Very high	92.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.8	173.6	71.8	-84.2	0	0	0	112.8	S234 E235 V236 I251 R252 L258 V262 I271 L272 W296	S234-Y260 WeakPolarHBondContact CB-O 3.4Å; S234-Y260 WeakPolarHBondContact O-CE1 3.47Å; S234-Y260 PolarHBondContact OG-N 2.78Å; S234-Y260 PolarHBondContact OG-O 2.85Å; E235-Y260 WeakPolarHBondContact CA-OH 3.48Å; V236-Y260 HydrophobicContact CB-CE2 3.81Å; V236-Y260 HydrophobicContact CG2-CD2 4.16Å; V236-Y260 HydrophobicContact CG2-CE2 3.65Å; V236-Y260 PolarHBondContact N-OH 2.92Å; I251-Y260 HydrophobicContact CG2-CE2 4.31Å; R252-Y260 HydrophobicContact CB-CE1 4.44Å; R252-Y260 PolarHBondContact O-OH 3.37Å; L258-Y260 HydrophobicContact CD2-CD1 4.31Å; L258-Y260 HydrophobicContact CG-CD1 4.16Å; Y260-V262 HydrophobicContact CD2-CG2 3.83Å; Y260-V262 HydrophobicContact CE2-CG2 4.05Å; Y260-I271 HydrophobicContact CD2-CG2 4.21Å; Y260-L272 CarbonylContact C-O 3.27Å; Y260-L272 WeakPolarHBondContact CA-O 3.42Å; Y260-W296 HydrophobicContact CD1-CH2 4.41Å; Y260-W296 HydrophobicContact CD2-CH2 4.18Å; Y260-W296 HydrophobicContact CG-CH2 4.05Å
261	H	94.4	Very high	92.6	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.7	175	-47.2	-91.2	0	0	0	109.5	I1 T5 I271 L272 Y281	I1-H261 HydrophobicContact CG2-CB 3.3Å; T5-H261 VanDerWaalsContact CB-CE1 3.47Å; T5-H261 WeakPolarHBondContact CB-CE1 3.31Å; T5-H261 PolarHBondContact OG1-CE1 2.87Å; T5-H261 VanDerWaalsContact OG1-CE1 3.29Å; T5-H261 PolarHBondContact OG1-ND1 2.91Å; T5-H261 VanDerWaalsContact OG1-ND1 3.12Å; H261-I271 CarbonylContact O-C 3.22Å; H261-I271 WeakPolarHBondContact O-CA 3.42Å; H261-L272 PolarHBondContact N-O 3.5Å; H261-L272 PolarHBondContact O-N 2.87Å; H261-Y281 PolarHBondContact NE2-OH 3.35Å
262	V	93.9	Very high	92.9	Very high	11 Å²	11	37 Å²	37	7%	0.067	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.1	-170.7	-176.3	0	0	0	0	111.2	V236 I251 Y260 L269 L270 I271	V236-V262 HydrophobicContact CB-CG2 4.39Å; V236-V262 HydrophobicContact CG1-CB 4.35Å; V236-V262 HydrophobicContact CG1-CG2 4.31Å; V236-V262 HydrophobicContact CG2-CG2 4.38Å; I251-V262 HydrophobicContact CD1-CB 4.03Å; I251-V262 HydrophobicContact CD1-CG1 3.82Å; I251-V262 HydrophobicContact CD1-CG2 3.58Å; Y260-V262 HydrophobicContact CD2-CG2 3.83Å; Y260-V262 HydrophobicContact CE2-CG2 4.05Å; V262-L269 HydrophobicContact CG1-CB 4.09Å; V262-L269 HydrophobicContact CG1-CD1 4.49Å; V262-L269 HydrophobicContact CG1-CD2 3.98Å; V262-L269 HydrophobicContact CG1-CG 4.4Å; V262-L270 WeakPolarHBondContact CA-O 3.48Å; V262-I271 HydrophobicContact CG2-CG1 4.21Å; V262-I271 HydrophobicContact CG2-CG2 4.43Å
263	E	94.1	Very high	93.3	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.7	170.3	-171.8	54.7	-93.7	0	0	109.8	I1 S218 R219 L269 L270 M311 V313	I1-E263 HydrophobicContact CD1-CB 3.55Å; I1-E263 HydrophobicContact CD1-CG 3.94Å; S218-E263 WeakPolarHBondContact CA-OE1 3.37Å; S218-E263 WeakPolarHBondContact CB-OE1 3.41Å; R219-E263 PolarHBondContact N-OE1 2.92Å; R219-E263 VanDerWaalsContact N-OE1 3.07Å; E263-L269 WeakPolarHBondContact O-CA 3.26Å; E263-L270 PolarHBondContact N-O 2.98Å; E263-L270 PolarHBondContact O-N 3.45Å; E263-M311 HydrophobicContact CB-CE 4.06Å; E263-V313 HydrophobicContact CB-CG2 4.27Å; E263-V313 HydrophobicContact CG-CB 4.08Å; E263-V313 HydrophobicContact CG-CG2 3.51Å
264	H	94.1	Very high	93.5	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.046	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.7	-178.8	178.8	-104.5	0	0	0	111.7	D220 I223 G267 S268	D220-H264 VanDerWaalsContact CG-ND1 3.29Å; D220-H264 IonicContact OD1-CG 3.63Å; D220-H264 IonicContact OD1-ND1 2.69Å; D220-H264 PolarHBondContact OD1-ND1 3.17Å; D220-H264 VanDerWaalsContact OD1-ND1 3.14Å; D220-H264 IonicContact OD2-CE1 3.33Å; D220-H264 PolarHBondContact OD2-CE1 3.26Å; D220-H264 VanDerWaalsContact OD2-CE1 3.25Å; D220-H264 IonicContact OD2-CG 2.73Å; D220-H264 IonicContact OD2-ND1 2.89Å; D220-H264 PolarHBondContact OD2-ND1 3.4Å; I223-H264 HydrophobicContact CB-CB 4.01Å; I223-H264 HydrophobicContact CG1-CB 3.72Å; I223-H264 VanDerWaalsContact CG1-CG 3.46Å; H264-G267 PolarHBondContact NE2-N 2.91Å; H264-G267 VanDerWaalsContact NE2-N 3.11Å; H264-S268 PolarHBondContact CD2-O 3.22Å
265	W	93.1	Very high	93.6	Very high	32 Å²	32	31.2 Å²	31.2	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	108.7	172.1	174.5	73.3	0	0	0	110.6	G267 S268 L270 V313 G315 D316 L336 R337	W265-G267 VanDerWaalsContact C-N 3.35Å; W265-G267 PolarHBondContact O-N 3.39Å; W265-G267 VanDerWaalsContact O-N 3.15Å; W265-S268 PolarHBondContact N-O 3.31Å; W265-S268 WeakPolarHBondContact O-CA 3.44Å; W265-S268 WeakPolarHBondContact O-CB 3.44Å; W265-S268 PolarHBondContact O-N 3.09Å; W265-L270 HydrophobicContact CB-CD1 4.49Å; W265-L270 HydrophobicContact CB-CG 4.48Å; W265-V313 HydrophobicContact CB-CG1 4.26Å; W265-V313 HydrophobicContact CG-CG1 4.4Å; W265-G315 PolarHBondContact NE1-O 2.93Å; W265-D316 PolarHBondContact NE1-OD1 2.84Å; W265-L336 HydrophobicContact CB-CD1 4.18Å; W265-L336 HydrophobicContact CD2-CB 3.96Å; W265-L336 HydrophobicContact CD2-CD1 3.53Å; W265-L336 HydrophobicContact CD2-CG 4.31Å; W265-L336 HydrophobicContact CE3-CB 4.02Å; W265-L336 HydrophobicContact CE3-CD1 4.12Å; W265-L336 HydrophobicContact CG-CD1 3.52Å; W265-L336 HydrophobicContact CH2-CB 3.54Å; W265-L336 WeakPolarHBondContact CH2-O 3.49Å; W265-L336 HydrophobicContact CZ2-CB 3.45Å; W265-L336 VanDerWaalsContact CZ2-CB 3.45Å; W265-L336 HydrophobicContact CZ2-CD1 4.38Å; W265-L336 HydrophobicContact CZ3-CB 3.83Å; W265-R337 HydrophobicContact CZ2-CG 4.4Å
266	K	90.1	Very high	93.6	Very high	120 Å²	120	27.1 Å²	27.1	52%	0.522	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	48.4	168.7	-65.3	-176.3	174.1	173.5	0	114.8	S268 D316	K266-S268 VanDerWaalsContact C-N 3.28Å; K266-S268 PolarHBondContact O-N 3.21Å; K266-D316 VanDerWaalsContact CE-OD1 3.24Å; K266-D316 WeakPolarHBondContact CE-OD1 3.45Å; K266-D316 VanDerWaalsContact NZ-CG 3.29Å; K266-D316 IonicContact NZ-OD1 3.31Å; K266-D316 PolarHBondContact NZ-OD1 3.2Å; K266-D316 IonicContact NZ-OD2 2.74Å; K266-D316 PolarHBondContact NZ-OD2 3.08Å; K266-D316 VanDerWaalsContact NZ-OD2 3.1Å
267	G	89.4	Confident	93.6	Very high	42 Å²	42	26 Å²	26	43%	0.433	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	5.9	179.4	0	0	0	0	0	114.8	H264 W265 T288	H264-G267 PolarHBondContact NE2-N 2.91Å; H264-G267 VanDerWaalsContact NE2-N 3.11Å; W265-G267 VanDerWaalsContact C-N 3.35Å; W265-G267 PolarHBondContact O-N 3.39Å; W265-G267 VanDerWaalsContact O-N 3.15Å; G267-T288 WeakPolarHBondContact O-CB 3.42Å; G267-T288 PolarHBondContact O-N 3.15Å; G267-T288 PolarHBondContact O-OG1 2.65Å; G267-T288 VanDerWaalsContact O-OG1 3.06Å
268	S	92.9	Very high	93.6	Very high	23 Å²	23	25.1 Å²	25.1	16%	0.161	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.9	166.2	-57.7	0	0	0	0	110.6	H264 W265 K266 Q285 S286	H264-S268 PolarHBondContact CD2-O 3.22Å; W265-S268 PolarHBondContact N-O 3.31Å; W265-S268 WeakPolarHBondContact O-CA 3.44Å; W265-S268 WeakPolarHBondContact O-CB 3.44Å; W265-S268 PolarHBondContact O-N 3.09Å; K266-S268 VanDerWaalsContact C-N 3.28Å; K266-S268 PolarHBondContact O-N 3.21Å; S268-Q285 PolarHBondContact OG-NE2 3.27Å; S268-S286 CarbonylContact C-O 3.43Å; S268-S286 WeakPolarHBondContact CA-O 3.33Å
269	L	94.8	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.5	169.7	-57	177.3	0	0	0	108.5	L238 I251 V262 E263 I271 Q285 S286 T288 P291	L238-L269 HydrophobicContact CD1-CD1 3.79Å; L238-L269 HydrophobicContact CD1-CD2 3.71Å; L238-L269 HydrophobicContact CD1-CG 4.41Å; I251-L269 HydrophobicContact CD1-CD1 4.21Å; I251-L269 HydrophobicContact CG1-CD1 4.49Å; V262-L269 HydrophobicContact CG1-CB 4.09Å; V262-L269 HydrophobicContact CG1-CD1 4.49Å; V262-L269 HydrophobicContact CG1-CD2 3.98Å; V262-L269 HydrophobicContact CG1-CG 4.4Å; E263-L269 WeakPolarHBondContact O-CA 3.26Å; L269-I271 HydrophobicContact CB-CD1 4.38Å; L269-I271 HydrophobicContact CB-CG1 4.17Å; L269-Q285 WeakPolarHBondContact O-CA 3.26Å; L269-S286 PolarHBondContact N-O 3.33Å; L269-S286 PolarHBondContact O-N 3.22Å; L269-T288 HydrophobicContact CD2-CG2 4.29Å; L269-P291 HydrophobicContact CD1-CB 3.85Å
270	L	95.9	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.1	165.6	-59.1	-175.6	0	0	0	108.1	V262 E263 W265 Q285 L299 M311 V313 C318 L336	V262-L270 WeakPolarHBondContact CA-O 3.48Å; E263-L270 PolarHBondContact N-O 2.98Å; E263-L270 PolarHBondContact O-N 3.45Å; W265-L270 HydrophobicContact CB-CD1 4.49Å; W265-L270 HydrophobicContact CB-CG 4.48Å; L270-Q285 HydrophobicContact CD2-CB 4.39Å; L270-Q285 HydrophobicContact CD2-CG 4.18Å; L270-L299 HydrophobicContact CD2-CD2 3.8Å; L270-M311 HydrophobicContact CB-CE 4.19Å; L270-M311 HydrophobicContact CB-SD 4.47Å; L270-V313 HydrophobicContact CD1-CG2 3.47Å; L270-V313 VanDerWaalsContact CD1-CG2 3.47Å; L270-C318 HydrophobicContact CD1-CB 4.18Å; L270-L336 HydrophobicContact CD1-CD1 3.82Å; L270-L336 HydrophobicContact CD1-CD2 3.78Å; L270-L336 HydrophobicContact CD1-CG 4.45Å; L270-L336 HydrophobicContact CD2-CD2 3.86Å; L270-L336 HydrophobicContact CG-CD2 4.47Å
271	I	95.5	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110.8	-169.7	-55.2	175.8	0	0	0	108	Y260 H261 V262 L269 A273 M284 W296	Y260-I271 HydrophobicContact CD2-CG2 4.21Å; H261-I271 CarbonylContact O-C 3.22Å; H261-I271 WeakPolarHBondContact O-CA 3.42Å; V262-I271 HydrophobicContact CG2-CG1 4.21Å; V262-I271 HydrophobicContact CG2-CG2 4.43Å; L269-I271 HydrophobicContact CB-CD1 4.38Å; L269-I271 HydrophobicContact CB-CG1 4.17Å; I271-A273 HydrophobicContact CG2-CB 4.19Å; I271-A273 PolarHBondContact O-N 2.93Å; I271-M284 HydrophobicContact CB-CB 4.22Å; I271-M284 PolarHBondContact N-O 2.98Å; I271-M284 PolarHBondContact O-N 3.37Å; I271-W296 HydrophobicContact CD1-CD2 3.86Å; I271-W296 HydrophobicContact CD1-CG 4.13Å; I271-W296 HydrophobicContact CD1-CH2 4.49Å; I271-W296 HydrophobicContact CD1-CZ2 3.7Å; I271-W296 HydrophobicContact CG2-CE3 4.28Å; I271-W296 HydrophobicContact CG2-CH2 3.77Å; I271-W296 HydrophobicContact CG2-CZ2 4.02Å; I271-W296 HydrophobicContact CG2-CZ3 3.92Å
272	L	96.4	Very high	93.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	104.9	172.9	-175.5	66.8	0	0	0	108.3	I2 Y260 H261 Y281 V283 I308 M311	I2-L272 HydrophobicContact CD1-CD2 3.26Å; I2-L272 HydrophobicContact CD1-CG 4.44Å; I2-L272 HydrophobicContact CG1-CD2 3.44Å; I2-L272 VanDerWaalsContact CG1-CD2 3.44Å; Y260-L272 CarbonylContact C-O 3.27Å; Y260-L272 WeakPolarHBondContact CA-O 3.42Å; H261-L272 PolarHBondContact N-O 3.5Å; H261-L272 PolarHBondContact O-N 2.87Å; L272-Y281 HydrophobicContact CD1-CG 4.48Å; L272-Y281 HydrophobicContact CG-CD1 3.98Å; L272-Y281 HydrophobicContact CG-CG 4.31Å; L272-V283 HydrophobicContact CD1-CG2 4.09Å; L272-I308 HydrophobicContact CD1-CD1 3.9Å; L272-I308 HydrophobicContact CD1-CG2 3.97Å; L272-I308 HydrophobicContact CD2-CG2 4.32Å; L272-M311 HydrophobicContact CB-CE 3.89Å; L272-M311 HydrophobicContact CB-SD 4.11Å; L272-M311 HydrophobicContact CD2-CB 4.03Å
273	A	95.6	Very high	93.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.8	-172.8	0	0	0	0	0	112.2	L259 I271 T275 Y281 Q282 W296	L259-A273 VanDerWaalsContact O-CA 3.31Å; L259-A273 WeakPolarHBondContact O-CA 3.46Å; I271-A273 HydrophobicContact CG2-CB 4.19Å; I271-A273 PolarHBondContact O-N 2.93Å; A273-T275 HydrophobicContact CB-CG2 4.21Å; A273-T275 PolarHBondContact O-N 3.11Å; A273-Y281 CarbonylContact O-C 3.59Å; A273-Y281 WeakPolarHBondContact O-CA 3.32Å; A273-Q282 PolarHBondContact N-O 3.3Å; A273-Q282 PolarHBondContact O-N 3.38Å; A273-W296 HydrophobicContact CB-CZ3 3.96Å
274	N	95.1	Very high	94	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.048	18%	0.182	C	C	.	.	S	Bend	trans	-76.2	33.8	177.4	73.5	-26.5	0	0	0	113.9	D257 L258 L259 Q279 E280 Y281 L483	D257-N274 PolarHBondContact O-ND2 3.49Å; L258-N274 WeakPolarHBondContact CA-OD1 3.18Å; L259-N274 HydrophobicContact CB-CB 4.38Å; L259-N274 PolarHBondContact N-OD1 3.29Å; L259-N274 PolarHBondContact O-N 2.73Å; L259-N274 PolarHBondContact O-OD1 3.49Å; N274-Q279 CarbonylContact O-C 3.57Å; N274-Q279 VanDerWaalsContact O-CA 3.32Å; N274-Q279 WeakPolarHBondContact O-CA 3.39Å; N274-E280 CarbonylContact C-O 3.57Å; N274-E280 VanDerWaalsContact C-O 3.27Å; N274-E280 VanDerWaalsContact CA-O 3.29Å; N274-E280 WeakPolarHBondContact CA-O 3.41Å; N274-Y281 HydrophobicContact CB-CD1 4.28Å; N274-Y281 HydrophobicContact CB-CE1 4.33Å; N274-L483 HydrophobicContact CB-CD1 3.44Å; N274-L483 VanDerWaalsContact CB-CD1 3.44Å
275	T	94.5	Very high	94	Very high	59 Å²	59	32 Å²	32	36%	0.362	19%	0.191	S	C	.	.			trans	-93.9	3.2	-178	52	0	0	0	0	113	L258 A273 Q282	L258-T275 HydrophobicContact CD1-CG2 3.65Å; A273-T275 HydrophobicContact CB-CG2 4.21Å; A273-T275 PolarHBondContact O-N 3.11Å; T275-Q282 PolarHBondContact O-NE2 3.03Å; T275-Q282 VanDerWaalsContact O-NE2 3.1Å; T275-Q282 PolarHBondContact OG1-NE2 2.88Å
276	G	92.9	Very high	94	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	19%	0.185	C	C	.	.	S	Bend	trans	-74	177.1	178.9	0	0	0	0	0	113.3	G278 Q279 E280 Q282	G276-G278 PolarHBondContact O-N 3.46Å; G276-Q279 WeakPolarHBondContact O-CA 3.25Å; G276-Q279 PolarHBondContact O-N 3.24Å; G276-E280 WeakPolarHBondContact CA-O 3.35Å; G276-E280 PolarHBondContact N-O 3.47Å; G276-Q282 VanDerWaalsContact CA-CD 3.48Å
277	P	91.8	Very high	94.2	Very high	96 Å²	96	27.4 Å²	27.4	62%	0.623	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-51.4	132.7	175.1	-25.5	34.8	0	0	0	111.8	Q279 E280 V301	P277-Q279 PolarHBondContact O-N 3.35Å; P277-E280 PolarHBondContact O-N 3.43Å; P277-V301 HydrophobicContact CG-CG1 3.97Å
278	G	89.9	Confident	94.1	Very high	61 Å²	61	26.6 Å²	26.6	63%	0.629	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	68.9	18	-177.7	0	0	0	0	0	114.8	G276 E280 R487	G276-G278 PolarHBondContact O-N 3.46Å; G278-E280 VanDerWaalsContact C-N 3.27Å; G278-E280 PolarHBondContact O-N 2.85Å; G278-R487 PolarHBondContact O-NH2 3.47Å
279	Q	93.1	Very high	93.8	Very high	95 Å²	95	30.4 Å²	30.4	44%	0.444	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	56.7	39.7	-172.1	-61.7	179.5	-22.1	0	0	112.5	N274 G276 P277 R487	N274-Q279 CarbonylContact O-C 3.57Å; N274-Q279 VanDerWaalsContact O-CA 3.32Å; N274-Q279 WeakPolarHBondContact O-CA 3.39Å; G276-Q279 WeakPolarHBondContact O-CA 3.25Å; G276-Q279 PolarHBondContact O-N 3.24Å; P277-Q279 PolarHBondContact O-N 3.35Å; Q279-R487 PolarHBondContact O-NH1 3.31Å; Q279-R487 PolarHBondContact O-NH2 3.02Å
280	E	94.8	Very high	93.3	Very high	23 Å²	23	36 Å²	36	11%	0.107	22%	0.217	C	C	.	.			trans	-90.3	162.9	170.1	-69.1	-60.8	156.2	0	0	111	N274 G276 P277 G278 G482 L483 S484 R487	N274-E280 CarbonylContact C-O 3.57Å; N274-E280 VanDerWaalsContact C-O 3.27Å; N274-E280 VanDerWaalsContact CA-O 3.29Å; N274-E280 WeakPolarHBondContact CA-O 3.41Å; G276-E280 WeakPolarHBondContact CA-O 3.35Å; G276-E280 PolarHBondContact N-O 3.47Å; P277-E280 PolarHBondContact O-N 3.43Å; G278-E280 VanDerWaalsContact C-N 3.27Å; G278-E280 PolarHBondContact O-N 2.85Å; E280-G482 WeakPolarHBondContact OE2-CA 3.34Å; E280-L483 PolarHBondContact OE1-N 2.66Å; E280-L483 PolarHBondContact OE2-N 3.11Å; E280-S484 WeakPolarHBondContact OE1-CA 3.21Å; E280-S484 WeakPolarHBondContact OE1-CB 3.16Å; E280-S484 PolarHBondContact OE1-N 3.47Å; E280-S484 PolarHBondContact OE1-OG 3.39Å; E280-R487 IonicContact OE1-NH2 3.5Å
281	Y	95.9	Very high	92.5	Very high	22 Å²	22	37 Å²	37	9%	0.086	22%	0.223	C	C	.	.			trans	-63.7	135.8	174.8	-73	-63.2	0	0	0	112	I2 L259 H261 L272 A273 N274 P302 I308 L483	I2-Y281 HydrophobicContact CD1-CD2 4.21Å; I2-Y281 HydrophobicContact CD1-CE2 4.1Å; L259-Y281 HydrophobicContact CB-CE1 4.25Å; H261-Y281 PolarHBondContact NE2-OH 3.35Å; L272-Y281 HydrophobicContact CD1-CG 4.48Å; L272-Y281 HydrophobicContact CG-CD1 3.98Å; L272-Y281 HydrophobicContact CG-CG 4.31Å; A273-Y281 CarbonylContact O-C 3.59Å; A273-Y281 WeakPolarHBondContact O-CA 3.32Å; N274-Y281 HydrophobicContact CB-CD1 4.28Å; N274-Y281 HydrophobicContact CB-CE1 4.33Å; Y281-P302 VanDerWaalsContact O-CD 3.31Å; Y281-P302 WeakPolarHBondContact O-CD 3.43Å; Y281-P302 VanDerWaalsContact O-CG 3.27Å; Y281-P302 WeakPolarHBondContact O-CG 3.34Å; Y281-I308 WeakPolarHBondContact O-CD1 3.13Å; Y281-L483 HydrophobicContact CD1-CD1 4.43Å; Y281-L483 HydrophobicContact CD2-CD1 3.89Å; Y281-L483 HydrophobicContact CD2-CD2 4.43Å; Y281-L483 HydrophobicContact CD2-CG 4.02Å; Y281-L483 HydrophobicContact CE1-CD1 4.26Å; Y281-L483 HydrophobicContact CE2-CD1 3.69Å; Y281-L483 HydrophobicContact CE2-CD2 3.69Å; Y281-L483 HydrophobicContact CE2-CG 3.76Å; Y281-L483 HydrophobicContact CG-CD1 4.26Å
282	Q	95.7	Very high	91.7	Very high	17 Å²	17	39.7 Å²	39.7	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.2	167.4	68.7	177.1	-11	0	0	109.2	A273 T275 G276 M284 F300	A273-Q282 PolarHBondContact N-O 3.3Å; A273-Q282 PolarHBondContact O-N 3.38Å; T275-Q282 PolarHBondContact O-NE2 3.03Å; T275-Q282 VanDerWaalsContact O-NE2 3.1Å; T275-Q282 PolarHBondContact OG1-NE2 2.88Å; G276-Q282 VanDerWaalsContact CA-CD 3.48Å; Q282-M284 VanDerWaalsContact CD-SD 3.57Å; Q282-M284 HydrophobicContact CG-CG 4.25Å; Q282-M284 HydrophobicContact CG-SD 3.87Å; Q282-M284 PolarHBondContact NE2-SD 2.94Å; Q282-F300 WeakPolarHBondContact CB-O 3.4Å
283	V	96.4	Very high	90.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.2	174.9	-170.2	0	0	0	0	108.9	L272 L299 F300 I308 M311 L320	L272-V283 HydrophobicContact CD1-CG2 4.09Å; V283-L299 HydrophobicContact CB-CB 4.49Å; V283-L299 HydrophobicContact CG1-CB 4.33Å; V283-L299 HydrophobicContact CG1-CD2 4.01Å; V283-L299 WeakPolarHBondContact O-CA 3.41Å; V283-L299 WeakPolarHBondContact O-CB 3.44Å; V283-L299 PolarHBondContact O-N 3.17Å; V283-F300 HydrophobicContact CB-CB 3.9Å; V283-F300 HydrophobicContact CG2-CB 4.01Å; V283-F300 HydrophobicContact CG2-CD1 4.36Å; V283-F300 PolarHBondContact N-O 2.78Å; V283-F300 PolarHBondContact O-N 3.47Å; V283-I308 HydrophobicContact CG2-CD1 4.45Å; V283-M311 HydrophobicContact CG1-SD 4Å; V283-M311 HydrophobicContact CG2-SD 4.12Å; V283-L320 HydrophobicContact CG2-CD1 3.88Å; V283-L320 HydrophobicContact CG2-CD2 3.72Å; V283-L320 HydrophobicContact CG2-CG 4.41Å
284	M	95.2	Very high	89.9	Confident	17 Å²	17	47 Å²	47	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	160.3	173.5	-52	-67.3	-70.8	0	0	109.2	I271 Q282 W296 A297 S298	I271-M284 HydrophobicContact CB-CB 4.22Å; I271-M284 PolarHBondContact N-O 2.98Å; I271-M284 PolarHBondContact O-N 3.37Å; Q282-M284 VanDerWaalsContact CD-SD 3.57Å; Q282-M284 HydrophobicContact CG-CG 4.25Å; Q282-M284 HydrophobicContact CG-SD 3.87Å; Q282-M284 PolarHBondContact NE2-SD 2.94Å; M284-W296 HydrophobicContact CB-CB 4.35Å; M284-W296 HydrophobicContact CE-CB 3.9Å; M284-W296 WeakPolarHBondContact CE-O 3.43Å; M284-W296 HydrophobicContact CG-CE3 4.44Å; M284-A297 CarbonylContact C-O 3.53Å; M284-A297 VanDerWaalsContact CA-O 3.22Å; M284-A297 WeakPolarHBondContact CA-O 3.48Å; M284-S298 VanDerWaalsContact SD-CA 3.52Å
285	Q	94.8	Very high	89.5	Confident	47 Å²	47	48 Å²	48	22%	0.22	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.8	174.8	-173.8	177	16.7	0	0	110.2	S268 L269 L270 W296 A297 L299	S268-Q285 PolarHBondContact OG-NE2 3.27Å; L269-Q285 WeakPolarHBondContact O-CA 3.26Å; L270-Q285 HydrophobicContact CD2-CB 4.39Å; L270-Q285 HydrophobicContact CD2-CG 4.18Å; Q285-W296 WeakPolarHBondContact O-CA 3.35Å; Q285-A297 PolarHBondContact N-O 2.8Å; Q285-A297 PolarHBondContact O-N 2.81Å; Q285-L299 HydrophobicContact CB-CB 4.49Å
286	S	94.3	Very high	89.4	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.7	173.6	-160.5	0	0	0	0	110.7	S268 L269 E290	S268-S286 CarbonylContact C-O 3.43Å; S268-S286 WeakPolarHBondContact CA-O 3.33Å; L269-S286 PolarHBondContact N-O 3.33Å; L269-S286 PolarHBondContact O-N 3.22Å; S286-E290 PolarHBondContact OG-O 2.87Å
287	P	92.4	Very high	89.4	Confident	55 Å²	55	48.7 Å²	48.7	36%	0.357	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.8	167.4	-19.1	32.4	0	0	0	111.1	S289 E290	P287-S289 PolarHBondContact O-N 3.44Å; P287-E290 CarbonylContact O-C 3.51Å; P287-E290 VanDerWaalsContact O-C 3.22Å; P287-E290 PolarHBondContact O-N 3.29Å; P287-E290 VanDerWaalsContact O-N 3.15Å
288	T	88	Confident	89.5	Confident	26 Å²	26	47.5 Å²	47.5	16%	0.16	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.8	175.8	-54.8	0	0	0	0	112.2	G267 L269 E290	G267-T288 WeakPolarHBondContact O-CB 3.42Å; G267-T288 PolarHBondContact O-N 3.15Å; G267-T288 PolarHBondContact O-OG1 2.65Å; G267-T288 VanDerWaalsContact O-OG1 3.06Å; L269-T288 HydrophobicContact CD2-CG2 4.29Å; T288-E290 VanDerWaalsContact C-N 3.31Å
289	S	86	Confident	89.7	Confident	102 Å²	102	45.8 Å²	45.8	71%	0.713	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.8	176.2	56.5	0	0	0	0	113.8	P287	P287-S289 PolarHBondContact O-N 3.44Å
290	E	85.6	Confident	89.7	Confident	118 Å²	118	42.6 Å²	42.6	55%	0.551	27%	0.266	S	S	*	.			trans	-136.4	73	-177.9	-67.2	-177.4	-167.8	0	0	109.2	S286 P287 T288 S292 S295	S286-E290 PolarHBondContact OG-O 2.87Å; P287-E290 CarbonylContact O-C 3.51Å; P287-E290 VanDerWaalsContact O-C 3.22Å; P287-E290 PolarHBondContact O-N 3.29Å; P287-E290 VanDerWaalsContact O-N 3.15Å; T288-E290 VanDerWaalsContact C-N 3.31Å; E290-S292 PolarHBondContact O-N 2.87Å; E290-S292 VanDerWaalsContact O-N 3.15Å; E290-S295 WeakPolarHBondContact O-CB 3.45Å
291	P	78.6	Confident	89.6	Confident	21 Å²	21	44.5 Å²	44.5	14%	0.136	28%	0.279	C	S	.	.			trans	-74.2	-3.6	-172.3	31.4	-37.7	0	0	0	113.9	F249 I251 L269 W296	F249-P291 HydrophobicContact CE2-CG 4.24Å; I251-P291 HydrophobicContact CB-CB 4.19Å; I251-P291 HydrophobicContact CG1-CB 4.19Å; I251-P291 HydrophobicContact CG2-CB 3.91Å; I251-P291 WeakPolarHBondContact CG2-O 3.1Å; L269-P291 HydrophobicContact CD1-CB 3.85Å; P291-W296 PolarHBondContact O-NE1 3.06Å
292	S	78.6	Confident	89.2	Confident	56 Å²	56	44.3 Å²	44.3	39%	0.392	28%	0.281	S	S	.	.	S	Bend	trans	-64	151.8	-175.6	84.3	0	0	0	0	112.3	E290 A294 S295 W296	E290-S292 PolarHBondContact O-N 2.87Å; E290-S292 VanDerWaalsContact O-N 3.15Å; S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.14Å; S292-S295 WeakPolarHBondContact O-CB 3.46Å; S292-S295 PolarHBondContact O-N 2.76Å; S292-W296 PolarHBondContact O-NE1 3.38Å
293	T	73.6	Confident	88.9	Confident	51 Å²	51	50.3 Å²	50.3	31%	0.313	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.4	-176.9	-50.3	0	0	0	0	114.1	R252 S295 W296	R252-T293 WeakPolarHBondContact CD-OG1 3.19Å; R252-T293 VanDerWaalsContact NH1-CB 3.29Å; R252-T293 PolarHBondContact NH1-OG1 3.4Å; T293-S295 PolarHBondContact O-N 2.93Å; T293-S295 VanDerWaalsContact O-N 3.1Å; T293-W296 HydrophobicContact CG2-CD2 3.98Å; T293-W296 HydrophobicContact CG2-CE3 3.95Å; T293-W296 HydrophobicContact CG2-CG 4.29Å; T293-W296 HydrophobicContact CG2-CZ3 4.44Å; T293-W296 WeakPolarHBondContact O-CB 3.41Å; T293-W296 PolarHBondContact O-N 2.9Å
294	A	80.8	Confident	88.5	Confident	102 Å²	102	55.8 Å²	55.8	84%	0.843	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58.5	-24.3	174.4	0	0	0	0	0	112.4	S292	S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.14Å
295	S	86.7	Confident	88	Confident	31 Å²	31	59.6 Å²	59.6	22%	0.217	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-96.2	-0.5	179.9	-50.1	0	0	0	0	113.2	E290 S292 T293 A297	E290-S295 WeakPolarHBondContact O-CB 3.45Å; S292-S295 WeakPolarHBondContact O-CB 3.46Å; S292-S295 PolarHBondContact O-N 2.76Å; T293-S295 PolarHBondContact O-N 2.93Å; T293-S295 VanDerWaalsContact O-N 3.1Å; S295-A297 PolarHBondContact O-N 2.86Å
296	W	92.2	Very high	87.8	Confident	24 Å²	24	58.3 Å²	58.3	9%	0.091	36%	0.359	C	S	.	.			trans	-77	112.1	-179.2	-67.2	12.2	0	0	0	110.6	I251 R252 Y260 I271 A273 M284 Q285 P291 S292 T293	I251-W296 HydrophobicContact CG2-CZ2 4.26Å; R252-W296 HydrophobicContact CB-CZ2 4.49Å; Y260-W296 HydrophobicContact CD1-CH2 4.41Å; Y260-W296 HydrophobicContact CD2-CH2 4.18Å; Y260-W296 HydrophobicContact CG-CH2 4.05Å; I271-W296 HydrophobicContact CD1-CD2 3.86Å; I271-W296 HydrophobicContact CD1-CG 4.13Å; I271-W296 HydrophobicContact CD1-CH2 4.49Å; I271-W296 HydrophobicContact CD1-CZ2 3.7Å; I271-W296 HydrophobicContact CG2-CE3 4.28Å; I271-W296 HydrophobicContact CG2-CH2 3.77Å; I271-W296 HydrophobicContact CG2-CZ2 4.02Å; I271-W296 HydrophobicContact CG2-CZ3 3.92Å; A273-W296 HydrophobicContact CB-CZ3 3.96Å; M284-W296 HydrophobicContact CB-CB 4.35Å; M284-W296 HydrophobicContact CE-CB 3.9Å; M284-W296 WeakPolarHBondContact CE-O 3.43Å; M284-W296 HydrophobicContact CG-CE3 4.44Å; Q285-W296 WeakPolarHBondContact O-CA 3.35Å; P291-W296 PolarHBondContact O-NE1 3.06Å; S292-W296 PolarHBondContact O-NE1 3.38Å; T293-W296 HydrophobicContact CG2-CD2 3.98Å; T293-W296 HydrophobicContact CG2-CE3 3.95Å; T293-W296 HydrophobicContact CG2-CG 4.29Å; T293-W296 HydrophobicContact CG2-CZ3 4.44Å; T293-W296 WeakPolarHBondContact O-CB 3.41Å; T293-W296 PolarHBondContact O-N 2.9Å
297	A	93.1	Very high	87.8	Confident	58 Å²	58	58.3 Å²	58.3	48%	0.479	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.6	173.6	0	0	0	0	0	110.6	M284 Q285 S295 L299	M284-A297 CarbonylContact C-O 3.53Å; M284-A297 VanDerWaalsContact CA-O 3.22Å; M284-A297 WeakPolarHBondContact CA-O 3.48Å; Q285-A297 PolarHBondContact N-O 2.8Å; Q285-A297 PolarHBondContact O-N 2.81Å; S295-A297 PolarHBondContact O-N 2.86Å; A297-L299 PolarHBondContact O-N 3.07Å
298	S	93.6	Very high	87.9	Confident	71 Å²	71	56.1 Å²	56.1	50%	0.497	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.4	175.7	-174.4	0	0	0	0	110.5	M284 V301	M284-S298 VanDerWaalsContact SD-CA 3.52Å; S298-V301 WeakPolarHBondContact OG-CG2 3.23Å
299	L	93.6	Very high	88.1	Confident	24 Å²	24	56.4 Å²	56.4	13%	0.126	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-44.7	-178.1	-172.9	68.8	0	0	0	111.4	L270 V283 Q285 A297 M334 L336 P339	L270-L299 HydrophobicContact CD2-CD2 3.8Å; V283-L299 HydrophobicContact CB-CB 4.49Å; V283-L299 HydrophobicContact CG1-CB 4.33Å; V283-L299 HydrophobicContact CG1-CD2 4.01Å; V283-L299 WeakPolarHBondContact O-CA 3.41Å; V283-L299 WeakPolarHBondContact O-CB 3.44Å; V283-L299 PolarHBondContact O-N 3.17Å; Q285-L299 HydrophobicContact CB-CB 4.49Å; A297-L299 PolarHBondContact O-N 3.07Å; L299-M334 HydrophobicContact CD1-SD 4.38Å; L299-M334 HydrophobicContact CD2-SD 4.11Å; L299-M334 HydrophobicContact CG-SD 3.77Å; L299-L336 HydrophobicContact CD2-CD2 3.82Å; L299-P339 HydrophobicContact CD1-CB 3.58Å; L299-P339 HydrophobicContact CD1-CG 3.39Å; L299-P339 HydrophobicContact CG-CB 4.5Å
300	F	93.4	Very high	88.4	Confident	28 Å²	28	52.2 Å²	52.2	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.7	177.8	-179.6	-99.1	0	0	0	111.1	Q282 V283 P302 I308 L320 M334 T342	Q282-F300 WeakPolarHBondContact CB-O 3.4Å; V283-F300 HydrophobicContact CB-CB 3.9Å; V283-F300 HydrophobicContact CG2-CB 4.01Å; V283-F300 HydrophobicContact CG2-CD1 4.36Å; V283-F300 PolarHBondContact N-O 2.78Å; V283-F300 PolarHBondContact O-N 3.47Å; F300-P302 HydrophobicContact CE1-CB 4.12Å; F300-I308 HydrophobicContact CD1-CD1 4.07Å; F300-I308 HydrophobicContact CE1-CD1 4.13Å; F300-I308 HydrophobicContact CE1-CG1 4.49Å; F300-L320 HydrophobicContact CB-CD1 4.43Å; F300-L320 HydrophobicContact CD1-CD1 3.26Å; F300-L320 HydrophobicContact CD2-CD1 4.41Å; F300-L320 HydrophobicContact CE1-CD1 3.4Å; F300-L320 HydrophobicContact CG-CD1 3.8Å; F300-L320 HydrophobicContact CZ-CD1 4.03Å; F300-M334 HydrophobicContact CB-CE 3.59Å; F300-M334 HydrophobicContact CB-SD 4.26Å; F300-M334 HydrophobicContact CD2-CE 3.41Å; F300-M334 VanDerWaalsContact CD2-CE 3.41Å; F300-M334 HydrophobicContact CE2-CE 4.46Å; F300-M334 HydrophobicContact CG-CE 3.91Å; F300-T342 HydrophobicContact CE2-CG2 4.29Å
301	V	92.6	Very high	88.7	Confident	64 Å²	64	46.7 Å²	46.7	39%	0.388	29%	0.287	S	S	.	.			trans	-117.5	124.9	171.1	-173.1	0	0	0	0	108.2	P277 S298	P277-V301 HydrophobicContact CG-CG1 3.97Å; S298-V301 WeakPolarHBondContact OG-CG2 3.23Å
302	P	88.4	Confident	89.3	Confident	18 Å²	18	46.9 Å²	46.9	12%	0.117	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64	151.5	177.5	27.3	-33.2	0	0	0	110.8	Y281 F300 I308	Y281-P302 VanDerWaalsContact O-CD 3.31Å; Y281-P302 WeakPolarHBondContact O-CD 3.43Å; Y281-P302 VanDerWaalsContact O-CG 3.27Å; Y281-P302 WeakPolarHBondContact O-CG 3.34Å; F300-P302 HydrophobicContact CE1-CB 4.12Å; P302-I308 HydrophobicContact CB-CG1 4.2Å; P302-I308 HydrophobicContact CG-CD1 4.25Å; P302-I308 HydrophobicContact CG-CG1 4.24Å
303	K	88.8	Confident	89.9	Confident	143 Å²	143	44.6 Å²	44.6	62%	0.622	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-61.2	153.4	172	-68.3	179.1	-178.1	174.2	0	109.9	D305 S306	K303-D305 PolarHBondContact O-N 2.79Å; K303-S306 WeakPolarHBondContact O-CB 3.37Å; K303-S306 PolarHBondContact O-N 3.11Å
304	P	87.6	Confident	90.7	Very high	114 Å²	114	42.2 Å²	42.2	74%	0.74	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	142.5	172	-26.1	34.4	0	0	0	111.6	S306	P304-S306 PolarHBondContact O-N 3.38Å
305	D	84.9	Confident	91.1	Very high	97 Å²	97	39.3 Å²	39.3	52%	0.519	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	9.4	-178.1	-61.6	-52.7	0	0	0	116	K303 P325 R481	K303-D305 PolarHBondContact O-N 2.79Å; D305-P325 HydrophobicContact CB-CB 3.95Å; D305-P325 HydrophobicContact CB-CG 3.91Å; D305-R481 IonicContact OD1-NH2 2.79Å; D305-R481 PolarHBondContact OD1-NH2 3.12Å
306	S	91.4	Very high	91.4	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	23%	0.233	C	C	.	.			trans	-101.3	143.5	169	-50.8	0	0	0	0	109.9	K303 P304 K323	K303-S306 WeakPolarHBondContact O-CB 3.37Å; K303-S306 PolarHBondContact O-N 3.11Å; P304-S306 PolarHBondContact O-N 3.38Å; S306-K323 CarbonylContact C-O 3.52Å; S306-K323 WeakPolarHBondContact CA-O 3.22Å; S306-K323 WeakPolarHBondContact CB-O 3.43Å
307	A	93.3	Very high	91.4	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.1	-179.5	0	0	0	0	0	110.8	L322 K323	A307-L322 CarbonylContact O-C 3.53Å; A307-L322 VanDerWaalsContact O-CA 3.31Å; A307-L322 WeakPolarHBondContact O-CA 3.49Å; A307-K323 HydrophobicContact CB-CB 4.43Å; A307-K323 PolarHBondContact N-O 2.77Å; A307-K323 PolarHBondContact O-N 2.89Å
308	I	95.1	Very high	91.5	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.1	168.7	-54.1	176.4	0	0	0	107.9	L272 Y281 V283 F300 P302 L320 L322	L272-I308 HydrophobicContact CD1-CD1 3.9Å; L272-I308 HydrophobicContact CD1-CG2 3.97Å; L272-I308 HydrophobicContact CD2-CG2 4.32Å; Y281-I308 WeakPolarHBondContact O-CD1 3.13Å; V283-I308 HydrophobicContact CG2-CD1 4.45Å; F300-I308 HydrophobicContact CD1-CD1 4.07Å; F300-I308 HydrophobicContact CE1-CD1 4.13Å; F300-I308 HydrophobicContact CE1-CG1 4.49Å; P302-I308 HydrophobicContact CB-CG1 4.2Å; P302-I308 HydrophobicContact CG-CD1 4.25Å; P302-I308 HydrophobicContact CG-CG1 4.24Å; I308-L320 HydrophobicContact CD1-CD1 4.31Å; I308-L320 HydrophobicContact CG2-CD2 4.19Å; I308-L322 HydrophobicContact CB-CD2 4.25Å; I308-L322 HydrophobicContact CG1-CD2 3.74Å; I308-L322 HydrophobicContact CG2-CD2 4.5Å
309	K	92	Very high	91.5	Very high	33 Å²	33	34.5 Å²	34.5	14%	0.143	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-37.7	179.9	-62.2	-55.6	-173.6	168.8	0	112.7	I2 V321 K323 D451 G479 E480	I2-K309 VanDerWaalsContact CD1-O 3.29Å; I2-K309 WeakPolarHBondContact CD1-O 3.19Å; K309-V321 HydrophobicContact CB-CB 4.19Å; K309-V321 HydrophobicContact CB-CG1 3.96Å; K309-V321 PolarHBondContact N-O 3Å; K309-K323 HydrophobicContact CD-CG 4.2Å; K309-K323 HydrophobicContact CG-CG 3.95Å; K309-D451 WeakPolarHBondContact CD-OD2 2.94Å; K309-D451 WeakPolarHBondContact CE-OD2 3.34Å; K309-D451 IonicContact NZ-OD1 2.66Å; K309-D451 PolarHBondContact NZ-OD1 3.09Å; K309-D451 IonicContact NZ-OD2 2.92Å; K309-D451 PolarHBondContact NZ-OD2 2.72Å; K309-G479 PolarHBondContact NZ-O 3.48Å; K309-E480 PolarHBondContact NZ-O 3.3Å
310	D	91.7	Very high	91.6	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.07	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.7	173.3	-149.7	-1.6	0	0	0	111.6	I1 I2 T3 L320 V321	I1-D310 VanDerWaalsContact CA-OD1 3.29Å; I1-D310 WeakPolarHBondContact CA-OD1 3.12Å; I1-D310 PolarHBondContact N-OD1 3.09Å; I1-D310 PolarHBondContact N-OD2 3.34Å; I2-D310 PolarHBondContact N-OD1 3.36Å; T3-D310 PolarHBondContact OG1-OD2 2.76Å; D310-L320 CarbonylContact O-C 3.39Å; D310-L320 WeakPolarHBondContact O-CA 3.34Å; D310-V321 HydrophobicContact CB-CB 4.15Å; D310-V321 HydrophobicContact CB-CG2 4.08Å; D310-V321 PolarHBondContact N-O 3.03Å; D310-V321 PolarHBondContact O-N 2.88Å
311	M	93.1	Very high	91.6	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.6	174	-179.6	176.4	78.4	0	0	109.6	I1 E263 L270 L272 V283 L319 L320	I1-M311 WeakPolarHBondContact CB-O 3.24Å; I1-M311 HydrophobicContact CD1-CB 4.01Å; I1-M311 HydrophobicContact CD1-CE 3.45Å; I1-M311 VanDerWaalsContact CD1-CE 3.45Å; I1-M311 HydrophobicContact CD1-CG 4.03Å; I1-M311 WeakPolarHBondContact CD1-O 3.48Å; I1-M311 WeakPolarHBondContact CG1-O 3.27Å; I1-M311 PolarHBondContact N-O 3.24Å; E263-M311 HydrophobicContact CB-CE 4.06Å; L270-M311 HydrophobicContact CB-CE 4.19Å; L270-M311 HydrophobicContact CB-SD 4.47Å; L272-M311 HydrophobicContact CB-CE 3.89Å; L272-M311 HydrophobicContact CB-SD 4.11Å; L272-M311 HydrophobicContact CD2-CB 4.03Å; V283-M311 HydrophobicContact CG1-SD 4Å; V283-M311 HydrophobicContact CG2-SD 4.12Å; M311-L319 CarbonylContact C-O 3.6Å; M311-L319 WeakPolarHBondContact CA-O 3.44Å; M311-L320 HydrophobicContact CB-CD2 3.73Å; M311-L320 HydrophobicContact CG-CD2 3.66Å; M311-L320 HydrophobicContact SD-CD2 4.23Å
312	D	91.3	Very high	91.7	Very high	25 Å²	25	30.1 Å²	30.1	13%	0.134	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	163.1	171	-156.9	-22	0	0	0	109.1	R219 L319 L368	R219-D312 IonicContact CZ-OD1 3Å; R219-D312 IonicContact NH1-OD1 2.68Å; R219-D312 PolarHBondContact NH1-OD1 2.86Å; R219-D312 IonicContact NH1-OD2 2.94Å; R219-D312 PolarHBondContact NH1-OD2 2.86Å; D312-L319 HydrophobicContact CB-CB 4.48Å; D312-L319 PolarHBondContact N-O 3.3Å; D312-L319 PolarHBondContact O-N 3.47Å; D312-L368 WeakPolarHBondContact OD2-CD1 3.36Å
313	V	91.6	Very high	91.9	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.2	-178.5	175.1	0	0	0	0	109.5	R219 E263 W265 L270 Y317 L336	R219-V313 WeakPolarHBondContact CD-O 2.96Å; R219-V313 PolarHBondContact NE-O 2.86Å; E263-V313 HydrophobicContact CB-CG2 4.27Å; E263-V313 HydrophobicContact CG-CB 4.08Å; E263-V313 HydrophobicContact CG-CG2 3.51Å; W265-V313 HydrophobicContact CB-CG1 4.26Å; W265-V313 HydrophobicContact CG-CG1 4.4Å; L270-V313 HydrophobicContact CD1-CG2 3.47Å; L270-V313 VanDerWaalsContact CD1-CG2 3.47Å; V313-Y317 CarbonylContact C-O 3.54Å; V313-Y317 WeakPolarHBondContact CA-O 3.06Å; V313-L336 HydrophobicContact CG1-CD1 4.09Å
314	V	90.3	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.4	-179.5	173.4	0	0	0	0	109.6	D316 Y317 L319 Q365 D366 L368 P386	V314-D316 PolarHBondContact O-N 2.88Å; V314-Y317 PolarHBondContact N-O 2.94Å; V314-Y317 WeakPolarHBondContact O-CB 3.36Å; V314-Y317 PolarHBondContact O-N 3.37Å; V314-L319 HydrophobicContact CB-CD1 3.46Å; V314-L319 VanDerWaalsContact CB-CD1 3.46Å; V314-L319 HydrophobicContact CG1-CD1 4.49Å; V314-L319 HydrophobicContact CG2-CD1 3.27Å; V314-Q365 WeakPolarHBondContact CG1-O 3.31Å; V314-D366 WeakPolarHBondContact CG1-O 3.14Å; V314-L368 HydrophobicContact CG2-CB 4.09Å; V314-L368 HydrophobicContact CG2-CD1 4.38Å; V314-P386 HydrophobicContact CB-CG 4.42Å; V314-P386 HydrophobicContact CG1-CG 4.08Å
315	G	88.9	Confident	92	Very high	42 Å²	42	22.7 Å²	22.7	43%	0.433	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-110.2	-174.1	0	0	0	0	0	112	W265 Q365	W265-G315 PolarHBondContact NE1-O 2.93Å; G315-Q365 PolarHBondContact N-O 2.84Å
316	D	91.8	Very high	92.1	Very high	29 Å²	29	20 Å²	20	16%	0.155	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	22.6	178.5	-70.9	-40.2	0	0	0	113.3	W265 K266 V314 L336 R337	W265-D316 PolarHBondContact NE1-OD1 2.84Å; K266-D316 VanDerWaalsContact CE-OD1 3.24Å; K266-D316 WeakPolarHBondContact CE-OD1 3.45Å; K266-D316 VanDerWaalsContact NZ-CG 3.29Å; K266-D316 IonicContact NZ-OD1 3.31Å; K266-D316 PolarHBondContact NZ-OD1 3.2Å; K266-D316 IonicContact NZ-OD2 2.74Å; K266-D316 PolarHBondContact NZ-OD2 3.08Å; K266-D316 VanDerWaalsContact NZ-OD2 3.1Å; V314-D316 PolarHBondContact O-N 2.88Å; D316-L336 VanDerWaalsContact O-CB 3.31Å; D316-L336 WeakPolarHBondContact O-CB 3.49Å; D316-L336 PolarHBondContact O-N 3.39Å; D316-R337 HydrophobicContact CB-CG 4.33Å; D316-R337 VanDerWaalsContact CG-NE 3.35Å; D316-R337 IonicContact OD1-NE 2.87Å; D316-R337 IonicContact OD2-CZ 3.31Å; D316-R337 IonicContact OD2-NE 2.87Å; D316-R337 PolarHBondContact OD2-NE 2.8Å; D316-R337 IonicContact OD2-NH2 2.87Å; D316-R337 PolarHBondContact OD2-NH2 3.42Å
317	Y	93.5	Very high	92	Very high	48 Å²	48	19.2 Å²	19.2	19%	0.188	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	-177.1	-62.1	-95.3	0	0	0	111.6	V313 V314 V333 M334 P386 E387	V313-Y317 CarbonylContact C-O 3.54Å; V313-Y317 WeakPolarHBondContact CA-O 3.06Å; V314-Y317 PolarHBondContact N-O 2.94Å; V314-Y317 WeakPolarHBondContact O-CB 3.36Å; V314-Y317 PolarHBondContact O-N 3.37Å; Y317-V333 HydrophobicContact CD1-CG1 3.92Å; Y317-V333 HydrophobicContact CG-CG1 4.4Å; Y317-M334 CarbonylContact C-O 3.56Å; Y317-M334 WeakPolarHBondContact CA-O 3.35Å; Y317-P386 HydrophobicContact CD1-CB 3.67Å; Y317-P386 HydrophobicContact CD2-CB 3.32Å; Y317-P386 HydrophobicContact CD2-CG 3.74Å; Y317-P386 HydrophobicContact CE1-CB 3.95Å; Y317-P386 HydrophobicContact CE2-CB 3.64Å; Y317-P386 HydrophobicContact CE2-CG 4.4Å; Y317-P386 HydrophobicContact CG-CB 3.34Å; Y317-P386 HydrophobicContact CG-CG 3.88Å; Y317-E387 HydrophobicContact CE2-CG 4.27Å; Y317-E387 WeakPolarHBondContact OH-CG 3.49Å
318	C	94.3	Very high	91.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.7	166.1	179.4	0	0	0	0	108.7	L270 M334 L336	L270-C318 HydrophobicContact CD1-CB 4.18Å; C318-M334 HydrophobicContact CB-CB 4.46Å; C318-M334 PolarHBondContact N-O 3.32Å; C318-M334 PolarHBondContact O-N 3.42Å; C318-L336 HydrophobicContact CB-CD1 4.38Å; C318-L336 HydrophobicContact CB-CD2 3.73Å; C318-L336 HydrophobicContact CB-CG 4.11Å
319	L	94.4	Very high	91.9	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128	-178.7	-74	149.8	0	0	0	108.8	M311 D312 V314 S332 V333 L368 L384	M311-L319 CarbonylContact C-O 3.6Å; M311-L319 WeakPolarHBondContact CA-O 3.44Å; D312-L319 HydrophobicContact CB-CB 4.48Å; D312-L319 PolarHBondContact N-O 3.3Å; D312-L319 PolarHBondContact O-N 3.47Å; V314-L319 HydrophobicContact CB-CD1 3.46Å; V314-L319 VanDerWaalsContact CB-CD1 3.46Å; V314-L319 HydrophobicContact CG1-CD1 4.49Å; V314-L319 HydrophobicContact CG2-CD1 3.27Å; L319-S332 CarbonylContact C-O 3.54Å; L319-S332 WeakPolarHBondContact CA-O 3.5Å; L319-V333 HydrophobicContact CD2-CB 4.3Å; L319-V333 HydrophobicContact CD2-CG1 4.1Å; L319-V333 HydrophobicContact CD2-CG2 3.77Å; L319-L368 HydrophobicContact CD1-CB 4.14Å; L319-L368 HydrophobicContact CD1-CD2 4.24Å; L319-L384 HydrophobicContact CD2-CD2 3.41Å; L319-L384 VanDerWaalsContact CD2-CD2 3.41Å; L319-L384 HydrophobicContact CD2-CG 4.38Å
320	L	94.8	Very high	92	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	178	-54.5	172.4	0	0	0	109.7	V283 F300 I308 D310 M311 L322 L331 S332	V283-L320 HydrophobicContact CG2-CD1 3.88Å; V283-L320 HydrophobicContact CG2-CD2 3.72Å; V283-L320 HydrophobicContact CG2-CG 4.41Å; F300-L320 HydrophobicContact CB-CD1 4.43Å; F300-L320 HydrophobicContact CD1-CD1 3.26Å; F300-L320 HydrophobicContact CD2-CD1 4.41Å; F300-L320 HydrophobicContact CE1-CD1 3.4Å; F300-L320 HydrophobicContact CG-CD1 3.8Å; F300-L320 HydrophobicContact CZ-CD1 4.03Å; I308-L320 HydrophobicContact CD1-CD1 4.31Å; I308-L320 HydrophobicContact CG2-CD2 4.19Å; D310-L320 CarbonylContact O-C 3.39Å; D310-L320 WeakPolarHBondContact O-CA 3.34Å; M311-L320 HydrophobicContact CB-CD2 3.73Å; M311-L320 HydrophobicContact CG-CD2 3.66Å; M311-L320 HydrophobicContact SD-CD2 4.23Å; L320-L322 HydrophobicContact CB-CD2 3.93Å; L320-L322 HydrophobicContact CB-CG 4.36Å; L320-L331 CarbonylContact O-C 3.45Å; L320-L331 WeakPolarHBondContact O-CA 3.4Å; L320-S332 PolarHBondContact N-O 3.49Å; L320-S332 PolarHBondContact O-N 3.39Å
321	V	94.3	Very high	92.1	Very high	12 Å²	12	21.2 Å²	21.2	7%	0.073	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.8	165	-177.1	0	0	0	0	107.3	K309 D310 L329 L331 I354	K309-V321 HydrophobicContact CB-CB 4.19Å; K309-V321 HydrophobicContact CB-CG1 3.96Å; K309-V321 PolarHBondContact N-O 3Å; D310-V321 HydrophobicContact CB-CB 4.15Å; D310-V321 HydrophobicContact CB-CG2 4.08Å; D310-V321 PolarHBondContact N-O 3.03Å; D310-V321 PolarHBondContact O-N 2.88Å; V321-L329 HydrophobicContact CG1-CD2 4.33Å; V321-L331 HydrophobicContact CB-CD2 4.45Å; V321-L331 HydrophobicContact CG2-CD2 3.88Å; V321-I354 HydrophobicContact CG1-CG2 3.65Å; V321-I354 HydrophobicContact CG2-CD1 4.27Å; V321-I354 HydrophobicContact CG2-CG2 4.42Å
322	L	94.4	Very high	92.1	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.063	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.1	-177.5	-57.1	-177.2	0	0	0	111.4	A307 I308 L320 L329 A330	A307-L322 CarbonylContact O-C 3.53Å; A307-L322 VanDerWaalsContact O-CA 3.31Å; A307-L322 WeakPolarHBondContact O-CA 3.49Å; I308-L322 HydrophobicContact CB-CD2 4.25Å; I308-L322 HydrophobicContact CG1-CD2 3.74Å; I308-L322 HydrophobicContact CG2-CD2 4.5Å; L320-L322 HydrophobicContact CB-CD2 3.93Å; L320-L322 HydrophobicContact CB-CG 4.36Å; L322-L329 WeakPolarHBondContact O-CA 3.42Å; L322-A330 HydrophobicContact CB-CB 4.49Å; L322-A330 PolarHBondContact N-O 3.25Å; L322-A330 PolarHBondContact O-N 3.42Å
323	K	92.6	Very high	92.3	Very high	13 Å²	13	20.3 Å²	20.3	6%	0.057	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.5	155	-80.9	-66.5	-166.4	176.7	0	109.8	S306 A307 K309 N327 E328 L329	S306-K323 CarbonylContact C-O 3.52Å; S306-K323 WeakPolarHBondContact CA-O 3.22Å; S306-K323 WeakPolarHBondContact CB-O 3.43Å; A307-K323 HydrophobicContact CB-CB 4.43Å; A307-K323 PolarHBondContact N-O 2.77Å; A307-K323 PolarHBondContact O-N 2.89Å; K309-K323 HydrophobicContact CD-CG 4.2Å; K309-K323 HydrophobicContact CG-CG 3.95Å; K323-N327 PolarHBondContact NZ-O 3.33Å; K323-E328 WeakPolarHBondContact CA-O 3.49Å; K323-L329 HydrophobicContact CD-CD2 3.9Å; K323-L329 HydrophobicContact CD-CG 4.47Å; K323-L329 HydrophobicContact CG-CD2 4.49Å
324	T	91.6	Very high	92.4	Very high	38 Å²	38	20.1 Å²	20.1	23%	0.233	12%	0.123	C	C	.	.			trans	-77.6	167.7	174.6	72.4	0	0	0	0	111	A326 N327 E328 A330	T324-A326 PolarHBondContact O-N 3.42Å; T324-A326 PolarHBondContact OG1-N 3.48Å; T324-N327 WeakPolarHBondContact O-CA 3.31Å; T324-N327 PolarHBondContact O-N 3.31Å; T324-E328 PolarHBondContact N-O 2.94Å; T324-E328 PolarHBondContact OG1-N 3.22Å; T324-A330 HydrophobicContact CG2-CB 3.97Å
325	P	87.8	Confident	92.5	Very high	67 Å²	67	20.5 Å²	20.5	44%	0.435	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-15.8	172.8	-24.5	35.3	0	0	0	114.4	D305 N327	D305-P325 HydrophobicContact CB-CB 3.95Å; D305-P325 HydrophobicContact CB-CG 3.91Å; P325-N327 VanDerWaalsContact C-N 3.29Å
326	A	86.9	Confident	92.6	Very high	42 Å²	42	18.9 Å²	18.9	35%	0.347	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.4	172	0	0	0	0	0	113.3	T324 E328	T324-A326 PolarHBondContact O-N 3.42Å; T324-A326 PolarHBondContact OG1-N 3.48Å; A326-E328 VanDerWaalsContact C-N 3.27Å; A326-E328 HydrophobicContact CB-CG 4.21Å
327	N	88.8	Confident	92.5	Very high	3 Å²	3	26 Å²	26	2%	0.016	13%	0.132	C	C	.	.	S	Bend	trans	64.9	25.1	-173.8	-161.5	32.8	0	0	0	114.4	K323 T324 P325 P423 H474	K323-N327 PolarHBondContact NZ-O 3.33Å; T324-N327 WeakPolarHBondContact O-CA 3.31Å; T324-N327 PolarHBondContact O-N 3.31Å; P325-N327 VanDerWaalsContact C-N 3.29Å; N327-P423 HydrophobicContact CB-CB 4.06Å; N327-P423 HydrophobicContact CB-CG 4.35Å; N327-H474 PolarHBondContact ND2-CD2 3.39Å; N327-H474 PolarHBondContact ND2-NE2 3.31Å
328	E	91.9	Very high	92.2	Very high	77 Å²	77	26.8 Å²	26.8	36%	0.36	14%	0.14	S	C	.	.			trans	-92.2	151.8	175.6	-63.7	173	146.2	0	0	110.6	K323 T324 A326	K323-E328 WeakPolarHBondContact CA-O 3.49Å; T324-E328 PolarHBondContact N-O 2.94Å; T324-E328 PolarHBondContact OG1-N 3.22Å; A326-E328 VanDerWaalsContact C-N 3.27Å; A326-E328 HydrophobicContact CB-CG 4.21Å
329	L	93.3	Very high	91.6	Very high	15 Å²	15	29 Å²	29	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.5	174.9	-67.8	171.5	0	0	0	110	V321 L322 K323 L347 C352 I354	V321-L329 HydrophobicContact CG1-CD2 4.33Å; L322-L329 WeakPolarHBondContact O-CA 3.42Å; K323-L329 HydrophobicContact CD-CD2 3.9Å; K323-L329 HydrophobicContact CD-CG 4.47Å; K323-L329 HydrophobicContact CG-CD2 4.49Å; L329-L347 HydrophobicContact CB-CD1 3.81Å; L329-C352 VanDerWaalsContact CD1-C 3.48Å; L329-I354 HydrophobicContact CD1-CB 4.35Å; L329-I354 HydrophobicContact CD1-CG2 4.19Å; L329-I354 HydrophobicContact CD2-CG2 4.42Å
330	A	93.9	Very high	90.9	Very high	4 Å²	4	38 Å²	38	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.4	171.9	0	0	0	0	0	110.1	L322 T324 I344	L322-A330 HydrophobicContact CB-CB 4.49Å; L322-A330 PolarHBondContact N-O 3.25Å; L322-A330 PolarHBondContact O-N 3.42Å; T324-A330 HydrophobicContact CG2-CB 3.97Å; A330-I344 HydrophobicContact CB-CG2 4.16Å
331	L	94.4	Very high	90.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.9	171.5	-65.6	176.6	0	0	0	109.6	L320 V321 I344 I345 L347 I354 F370 L384	L320-L331 CarbonylContact O-C 3.45Å; L320-L331 WeakPolarHBondContact O-CA 3.4Å; V321-L331 HydrophobicContact CB-CD2 4.45Å; V321-L331 HydrophobicContact CG2-CD2 3.88Å; L331-I344 CarbonylContact O-C 3.49Å; L331-I344 WeakPolarHBondContact O-CA 3.43Å; L331-I345 HydrophobicContact CB-CB 4.33Å; L331-I345 PolarHBondContact N-O 2.69Å; L331-I345 PolarHBondContact O-N 3.44Å; L331-L347 HydrophobicContact CD1-CD2 3.99Å; L331-L347 HydrophobicContact CG-CD1 4.22Å; L331-L347 HydrophobicContact CG-CD2 4.13Å; L331-L347 HydrophobicContact CG-CG 4.42Å; L331-I354 HydrophobicContact CD2-CD1 3.87Å; L331-F370 HydrophobicContact CD1-CE1 3.88Å; L331-F370 HydrophobicContact CD1-CE2 4.32Å; L331-F370 HydrophobicContact CD1-CZ 3.59Å; L331-L384 HydrophobicContact CD1-CD2 3.84Å
332	S	93.9	Very high	89.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.6	168.5	-180	0	0	0	0	109.2	L319 L320 T342 C343	L319-S332 CarbonylContact C-O 3.54Å; L319-S332 WeakPolarHBondContact CA-O 3.5Å; L320-S332 PolarHBondContact N-O 3.49Å; L320-S332 PolarHBondContact O-N 3.39Å; S332-T342 WeakPolarHBondContact OG-CG2 3.49Å; S332-C343 CarbonylContact C-O 3.52Å; S332-C343 WeakPolarHBondContact CA-O 3.39Å
333	V	94.2	Very high	89.7	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.7	179.8	-168.5	0	0	0	0	107.9	Y317 L319 T342 C343 I345 L384 P386	Y317-V333 HydrophobicContact CD1-CG1 3.92Å; Y317-V333 HydrophobicContact CG-CG1 4.4Å; L319-V333 HydrophobicContact CD2-CB 4.3Å; L319-V333 HydrophobicContact CD2-CG1 4.1Å; L319-V333 HydrophobicContact CD2-CG2 3.77Å; V333-T342 CarbonylContact O-C 3.6Å; V333-T342 WeakPolarHBondContact O-CA 3.39Å; V333-C343 PolarHBondContact N-O 2.99Å; V333-C343 PolarHBondContact O-N 3.18Å; V333-I345 HydrophobicContact CG2-CD1 3.63Å; V333-I345 HydrophobicContact CG2-CG1 4.19Å; V333-L384 HydrophobicContact CG2-CD2 4.01Å; V333-P386 HydrophobicContact CG1-CB 3.91Å
334	M	94	Very high	89.6	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.02	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.7	-178.8	171.4	-179.3	-75.7	0	0	110.5	L299 F300 Y317 C318 L336 P339 T342	L299-M334 HydrophobicContact CD1-SD 4.38Å; L299-M334 HydrophobicContact CD2-SD 4.11Å; L299-M334 HydrophobicContact CG-SD 3.77Å; F300-M334 HydrophobicContact CB-CE 3.59Å; F300-M334 HydrophobicContact CB-SD 4.26Å; F300-M334 HydrophobicContact CD2-CE 3.41Å; F300-M334 VanDerWaalsContact CD2-CE 3.41Å; F300-M334 HydrophobicContact CE2-CE 4.46Å; F300-M334 HydrophobicContact CG-CE 3.91Å; Y317-M334 CarbonylContact C-O 3.56Å; Y317-M334 WeakPolarHBondContact CA-O 3.35Å; C318-M334 HydrophobicContact CB-CB 4.46Å; C318-M334 PolarHBondContact N-O 3.32Å; C318-M334 PolarHBondContact O-N 3.42Å; M334-L336 PolarHBondContact O-N 2.92Å; M334-P339 HydrophobicContact SD-CB 4.19Å; M334-T342 HydrophobicContact CB-CG2 4.49Å; M334-T342 VanDerWaalsContact CE-OG1 3.25Å; M334-T342 WeakPolarHBondContact CE-OG1 3.47Å
335	S	92.6	Very high	89.6	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.063	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.2	170.6	176.2	0	0	0	0	110.9	R337 N338 P339 E341	S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact OG-N 3.28Å; S335-N338 CarbonylContact O-C 3.55Å; S335-N338 PolarHBondContact OG-N 2.86Å; S335-P339 WeakPolarHBondContact O-CA 3.47Å; S335-P339 VanDerWaalsContact O-N 3.13Å; S335-E341 PolarHBondContact N-O 2.69Å
336	L	91.6	Very high	89.7	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-77.7	-19.4	176.8	-66.7	171.5	0	0	0	112.5	W265 L270 L299 V313 D316 C318 M334	W265-L336 HydrophobicContact CB-CD1 4.18Å; W265-L336 HydrophobicContact CD2-CB 3.96Å; W265-L336 HydrophobicContact CD2-CD1 3.53Å; W265-L336 HydrophobicContact CD2-CG 4.31Å; W265-L336 HydrophobicContact CE3-CB 4.02Å; W265-L336 HydrophobicContact CE3-CD1 4.12Å; W265-L336 HydrophobicContact CG-CD1 3.52Å; W265-L336 HydrophobicContact CH2-CB 3.54Å; W265-L336 WeakPolarHBondContact CH2-O 3.49Å; W265-L336 HydrophobicContact CZ2-CB 3.45Å; W265-L336 VanDerWaalsContact CZ2-CB 3.45Å; W265-L336 HydrophobicContact CZ2-CD1 4.38Å; W265-L336 HydrophobicContact CZ3-CB 3.83Å; L270-L336 HydrophobicContact CD1-CD1 3.82Å; L270-L336 HydrophobicContact CD1-CD2 3.78Å; L270-L336 HydrophobicContact CD1-CG 4.45Å; L270-L336 HydrophobicContact CD2-CD2 3.86Å; L270-L336 HydrophobicContact CG-CD2 4.47Å; L299-L336 HydrophobicContact CD2-CD2 3.82Å; V313-L336 HydrophobicContact CG1-CD1 4.09Å; D316-L336 VanDerWaalsContact O-CB 3.31Å; D316-L336 WeakPolarHBondContact O-CB 3.49Å; D316-L336 PolarHBondContact O-N 3.39Å; C318-L336 HydrophobicContact CB-CD1 4.38Å; C318-L336 HydrophobicContact CB-CD2 3.73Å; C318-L336 HydrophobicContact CB-CG 4.11Å; M334-L336 PolarHBondContact O-N 2.92Å
337	R	89.8	Confident	89.9	Confident	178 Å²	178	55 Å²	55	67%	0.672	27%	0.27	S	S	*	.	S	Bend	trans	-78.7	-33.8	172.9	-65.1	-179	-176.7	-111.3	8.3	112	W265 D316 S335	W265-R337 HydrophobicContact CZ2-CG 4.4Å; D316-R337 HydrophobicContact CB-CG 4.33Å; D316-R337 VanDerWaalsContact CG-NE 3.35Å; D316-R337 IonicContact OD1-NE 2.87Å; D316-R337 IonicContact OD2-CZ 3.31Å; D316-R337 IonicContact OD2-NE 2.87Å; D316-R337 PolarHBondContact OD2-NE 2.8Å; D316-R337 IonicContact OD2-NH2 2.87Å; D316-R337 PolarHBondContact OD2-NH2 3.42Å; S335-R337 VanDerWaalsContact C-N 3.31Å; S335-R337 PolarHBondContact OG-N 3.28Å
338	N	86.8	Confident	89.9	Confident	65 Å²	65	56.8 Å²	56.8	35%	0.348	28%	0.281	S	S	.	.	S	Bend	trans	-139.1	86.9	175.6	-173.3	9.3	0	0	0	110.3	S335 K340 E341	S335-N338 CarbonylContact O-C 3.55Å; S335-N338 PolarHBondContact OG-N 2.86Å; N338-K340 PolarHBondContact O-N 2.89Å; N338-E341 HydrophobicContact CB-CG 4.4Å; N338-E341 PolarHBondContact ND2-OE1 3.25Å; N338-E341 WeakPolarHBondContact O-CB 3.5Å; N338-E341 PolarHBondContact O-N 2.97Å
339	P	81.4	Confident	89.7	Confident	46 Å²	46	57.4 Å²	57.4	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.7	-173.8	-27.7	36.9	0	0	0	115.4	L299 M334 S335 E341 T342	L299-P339 HydrophobicContact CD1-CB 3.58Å; L299-P339 HydrophobicContact CD1-CG 3.39Å; L299-P339 HydrophobicContact CG-CB 4.5Å; M334-P339 HydrophobicContact SD-CB 4.19Å; S335-P339 WeakPolarHBondContact O-CA 3.47Å; S335-P339 VanDerWaalsContact O-N 3.13Å; P339-E341 PolarHBondContact O-N 2.89Å; P339-T342 PolarHBondContact O-OG1 2.89Å
340	K	80.8	Confident	89.5	Confident	195 Å²	195	58.5 Å²	58.5	85%	0.848	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.8	174.1	-63.2	-176.6	179.9	179.3	0	112.8	N338 T342	N338-K340 PolarHBondContact O-N 2.89Å; K340-T342 PolarHBondContact O-N 2.87Å
341	E	81.3	Confident	89.3	Confident	114 Å²	114	58.5 Å²	58.5	53%	0.533	30%	0.297	S	S	.	.			trans	-85.2	87.5	174.2	-67.6	168.9	-160.4	0	0	108.9	S335 N338 P339	S335-E341 PolarHBondContact N-O 2.69Å; N338-E341 HydrophobicContact CB-CG 4.4Å; N338-E341 PolarHBondContact ND2-OE1 3.25Å; N338-E341 WeakPolarHBondContact O-CB 3.5Å; N338-E341 PolarHBondContact O-N 2.97Å; P339-E341 PolarHBondContact O-N 2.89Å
342	T	86.4	Confident	89.3	Confident	57 Å²	57	58.8 Å²	58.8	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	173.3	-59	0	0	0	0	110	F300 S332 V333 M334 P339 K340	F300-T342 HydrophobicContact CE2-CG2 4.29Å; S332-T342 WeakPolarHBondContact OG-CG2 3.49Å; V333-T342 CarbonylContact O-C 3.6Å; V333-T342 WeakPolarHBondContact O-CA 3.39Å; M334-T342 HydrophobicContact CB-CG2 4.49Å; M334-T342 VanDerWaalsContact CE-OG1 3.25Å; M334-T342 WeakPolarHBondContact CE-OG1 3.47Å; P339-T342 PolarHBondContact O-OG1 2.89Å; K340-T342 PolarHBondContact O-N 2.87Å
343	C	89.8	Confident	89.2	Confident	73 Å²	73	59.8 Å²	59.8	49%	0.493	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.1	176	-176.1	0	0	0	0	109.7	S332 V333	S332-C343 CarbonylContact C-O 3.52Å; S332-C343 WeakPolarHBondContact CA-O 3.39Å; V333-C343 PolarHBondContact N-O 2.99Å; V333-C343 PolarHBondContact O-N 3.18Å
344	I	90.6	Very high	89	Confident	80 Å²	80	60.9 Å²	60.9	41%	0.41	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.9	170.9	-60.6	175.3	0	0	0	107.6	A330 L331	A330-I344 HydrophobicContact CB-CG2 4.16Å; L331-I344 CarbonylContact O-C 3.49Å; L331-I344 WeakPolarHBondContact O-CA 3.43Å
345	I	91.3	Very high	88.7	Confident	28 Å²	28	65 Å²	65	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.2	175	-57.9	176.3	0	0	0	107.6	L331 V333 L384 L390	L331-I345 HydrophobicContact CB-CB 4.33Å; L331-I345 PolarHBondContact N-O 2.69Å; L331-I345 PolarHBondContact O-N 3.44Å; V333-I345 HydrophobicContact CG2-CD1 3.63Å; V333-I345 HydrophobicContact CG2-CG1 4.19Å; I345-L384 HydrophobicContact CD1-CD1 3.4Å; I345-L384 VanDerWaalsContact CD1-CD1 3.4Å; I345-L384 HydrophobicContact CD1-CD2 4.08Å; I345-L384 HydrophobicContact CD1-CG 4.41Å; I345-L390 HydrophobicContact CG2-CB 4.15Å; I345-L390 HydrophobicContact CG2-CD2 4.17Å
346	E	90.3	Very high	88.3	Confident	171 Å²	171	66.5 Å²	66.5	80%	0.799	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.3	171.5	-65	-176.1	174	0	0	109.5
347	L	91.6	Very high	87.9	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.094	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-89.7	159.7	174.6	-62	-179.4	0	0	0	109.9	L329 L331 S349 F370 L372 L390	L329-L347 HydrophobicContact CB-CD1 3.81Å; L331-L347 HydrophobicContact CD1-CD2 3.99Å; L331-L347 HydrophobicContact CG-CD1 4.22Å; L331-L347 HydrophobicContact CG-CD2 4.13Å; L331-L347 HydrophobicContact CG-CG 4.42Å; L347-S349 PolarHBondContact O-N 3.44Å; L347-F370 HydrophobicContact CD2-CE2 4.46Å; L347-F370 HydrophobicContact CD2-CZ 4.49Å; L347-L372 HydrophobicContact CB-CD1 4.37Å; L347-L372 HydrophobicContact CD1-CD1 4.47Å; L347-L372 HydrophobicContact CD1-CD2 4.03Å; L347-L372 HydrophobicContact CD2-CD1 4.16Å; L347-L390 HydrophobicContact CD2-CD2 4.16Å
348	P	89	Confident	87.1	Confident	41 Å²	41	63.4 Å²	63.4	27%	0.266	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-51.8	136	176	-25.8	33.9	0	0	0	112	W350 A351 L372 F382	P348-W350 HydrophobicContact CB-CD2 4.32Å; P348-W350 HydrophobicContact CB-CG 4.27Å; P348-W350 HydrophobicContact CB-CZ2 4.28Å; P348-W350 VanDerWaalsContact CB-NE1 3.28Å; P348-W350 HydrophobicContact CG-CZ2 4.43Å; P348-W350 PolarHBondContact O-N 3.32Å; P348-W350 VanDerWaalsContact O-N 3.08Å; P348-A351 WeakPolarHBondContact O-CB 3.29Å; P348-A351 PolarHBondContact O-N 2.84Å; P348-L372 HydrophobicContact CG-CD1 4.28Å; P348-F382 HydrophobicContact CG-CZ 4.12Å
349	S	86.4	Confident	86.4	Confident	89 Å²	89	61.4 Å²	61.4	62%	0.622	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.6	-174.2	57.9	0	0	0	0	114.4	L347 A351	L347-S349 PolarHBondContact O-N 3.44Å; S349-A351 VanDerWaalsContact C-N 3.32Å
350	W	88.7	Confident	85.8	Confident	39 Å²	39	59.6 Å²	59.6	15%	0.148	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.7	174.5	63.5	-103.1	0	0	0	113.2	P348 C352 L372 S374 H377 V380	P348-W350 HydrophobicContact CB-CD2 4.32Å; P348-W350 HydrophobicContact CB-CG 4.27Å; P348-W350 HydrophobicContact CB-CZ2 4.28Å; P348-W350 VanDerWaalsContact CB-NE1 3.28Å; P348-W350 HydrophobicContact CG-CZ2 4.43Å; P348-W350 PolarHBondContact O-N 3.32Å; P348-W350 VanDerWaalsContact O-N 3.08Å; W350-C352 PolarHBondContact O-N 2.91Å; W350-C352 PolarHBondContact O-SG 3.01Å; W350-C352 VanDerWaalsContact O-SG 3.37Å; W350-L372 HydrophobicContact CH2-CB 3.91Å; W350-L372 HydrophobicContact CZ3-CB 4.32Å; W350-S374 VanDerWaalsContact O-CB 3.25Å; W350-S374 WeakPolarHBondContact O-CB 3.39Å; W350-H377 HydrophobicContact CE3-CB 3.75Å; W350-H377 AromaticContact CE3-CG 3.93Å; W350-H377 HydrophobicContact CZ3-CB 3.89Å; W350-V380 HydrophobicContact CH2-CB 4.15Å; W350-V380 HydrophobicContact CH2-CG2 3.87Å; W350-V380 HydrophobicContact CZ2-CG2 4.25Å
351	A	91.5	Very high	85.4	Confident	3 Å²	3	52 Å²	52	3%	0.025	28%	0.279	C	S	.	.			trans	-67.2	127.5	-176.4	0	0	0	0	0	110.5	P348 S349 L372	P348-A351 WeakPolarHBondContact O-CB 3.29Å; P348-A351 PolarHBondContact O-N 2.84Å; S349-A351 VanDerWaalsContact C-N 3.32Å; A351-L372 HydrophobicContact CB-CB 4.24Å; A351-L372 HydrophobicContact CB-CD1 4.12Å; A351-L372 HydrophobicContact CB-CD2 4.44Å
352	C	92.6	Very high	84.8	Confident	8 Å²	8	48.5 Å²	48.5	5%	0.054	27%	0.27	C	S	.	.			trans	-123.1	-21.9	179.6	-61.2	0	0	0	0	113	L329 W350 S373 M454	L329-C352 VanDerWaalsContact CD1-C 3.48Å; W350-C352 PolarHBondContact O-N 2.91Å; W350-C352 PolarHBondContact O-SG 3.01Å; W350-C352 VanDerWaalsContact O-SG 3.37Å; C352-S373 PolarHBondContact N-O 3.24Å; C352-M454 HydrophobicContact CB-CB 3.57Å; C352-M454 HydrophobicContact CB-CE 3.77Å; C352-M454 HydrophobicContact CB-CG 4.21Å
353	S	91.9	Very high	84.2	Confident	20 Å²	20	46.9 Å²	46.9	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.8	174.3	-175.5	0	0	0	0	110.7	L372 S373 E455	S353-L372 WeakPolarHBondContact O-CA 3.34Å; S353-S373 PolarHBondContact N-O 3.03Å; S353-S373 PolarHBondContact O-N 3.36Å; S353-S373 VanDerWaalsContact O-N 3.07Å; S353-E455 WeakPolarHBondContact OG-CG 3.34Å
354	I	91.3	Very high	83.4	Confident	32 Å²	32	49.7 Å²	49.7	16%	0.164	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.6	173.5	180	168.6	0	0	0	108.7	V321 L329 L331 F370 L371 L372	V321-I354 HydrophobicContact CG1-CG2 3.65Å; V321-I354 HydrophobicContact CG2-CD1 4.27Å; V321-I354 HydrophobicContact CG2-CG2 4.42Å; L329-I354 HydrophobicContact CD1-CB 4.35Å; L329-I354 HydrophobicContact CD1-CG2 4.19Å; L329-I354 HydrophobicContact CD2-CG2 4.42Å; L331-I354 HydrophobicContact CD2-CD1 3.87Å; I354-F370 HydrophobicContact CD1-CB 4.33Å; I354-F370 HydrophobicContact CD1-CD2 3.66Å; I354-F370 HydrophobicContact CD1-CE2 4.03Å; I354-F370 HydrophobicContact CD1-CG 4.01Å; I354-F370 HydrophobicContact CG1-CB 4.11Å; I354-F370 HydrophobicContact CG1-CD2 3.82Å; I354-F370 HydrophobicContact CG1-CG 4.2Å; I354-L371 WeakPolarHBondContact CA-O 3.46Å; I354-L372 HydrophobicContact CB-CD2 3.82Å; I354-L372 HydrophobicContact CD1-CD2 4.15Å; I354-L372 HydrophobicContact CG1-CD2 3.91Å
355	E	87.6	Confident	82.8	Confident	91 Å²	91	49 Å²	49	43%	0.425	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.6	175.6	-172.1	-172.4	168.4	0	0	108.6	Y68 F370 L371	Y68-E355 HydrophobicContact CD2-CG 4.12Å; Y68-E355 WeakPolarHBondContact CD2-OE1 2.98Å; Y68-E355 HydrophobicContact CE2-CB 4.42Å; Y68-E355 HydrophobicContact CE2-CG 4.01Å; Y68-E355 WeakPolarHBondContact CE2-O 3.26Å; E355-F370 CarbonylContact O-C 3.56Å; E355-F370 WeakPolarHBondContact O-CA 3.48Å; E355-F370 VanDerWaalsContact O-CB 3.31Å; E355-F370 WeakPolarHBondContact O-CB 3.16Å; E355-L371 HydrophobicContact CB-CB 4.38Å; E355-L371 PolarHBondContact N-O 3.38Å; E355-L371 PolarHBondContact O-N 2.67Å
356	T	84.9	Confident	82.5	Confident	41 Å²	41	51.2 Å²	51.2	25%	0.252	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.4	-180	55.2	0	0	0	0	111.3	L368 F370	T356-L368 HydrophobicContact CG2-CD1 4.44Å; T356-F370 HydrophobicContact CG2-CB 4.33Å
357	K	81.6	Confident	82.4	Confident	30 Å²	30	43.3 Å²	43.3	13%	0.13	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-72.8	131	172.3	-166.6	-179	168.3	-162.4	0	110.8	Y68 D363 E369	Y68-K357 HydrophobicContact CD1-CB 3.8Å; Y68-K357 HydrophobicContact CD1-CD 3.69Å; Y68-K357 HydrophobicContact CD1-CG 3.42Å; Y68-K357 VanDerWaalsContact CD1-CG 3.42Å; Y68-K357 HydrophobicContact CD2-CB 4.3Å; Y68-K357 HydrophobicContact CD2-CG 4.5Å; Y68-K357 HydrophobicContact CE1-CB 3.42Å; Y68-K357 VanDerWaalsContact CE1-CB 3.42Å; Y68-K357 HydrophobicContact CE1-CD 3.6Å; Y68-K357 HydrophobicContact CE1-CG 3.51Å; Y68-K357 HydrophobicContact CE2-CB 3.93Å; Y68-K357 HydrophobicContact CG-CB 4.23Å; Y68-K357 HydrophobicContact CG-CG 3.95Å; Y68-K357 VanDerWaalsContact CZ-CB 3.46Å; K357-D363 VanDerWaalsContact CE-OD2 3.26Å; K357-D363 WeakPolarHBondContact CE-OD2 3.47Å; K357-D363 IonicContact NZ-OD1 2.87Å; K357-D363 IonicContact NZ-OD2 4Å; K357-D363 PolarHBondContact NZ-OD2 2.85Å; K357-E369 HydrophobicContact CB-CB 3.97Å; K357-E369 VanDerWaalsContact CB-O 3.31Å; K357-E369 WeakPolarHBondContact CB-O 3.48Å; K357-E369 HydrophobicContact CD-CB 4.07Å; K357-E369 WeakPolarHBondContact CD-OE2 3.43Å; K357-E369 PolarHBondContact N-O 3.13Å; K357-E369 IonicContact NZ-OE2 3.43Å; K357-E369 PolarHBondContact NZ-OE2 3.28Å
358	K	73.9	Confident	82.3	Confident	90 Å²	90	42.6 Å²	42.6	39%	0.391	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-74.8	122.6	162.7	-79.9	-168.8	156.4	175.7	0	110	F4 G360	F4-K358 HydrophobicContact CE1-CD 4.46Å; F4-K358 VanDerWaalsContact CE2-CE 3.46Å; F4-K358 HydrophobicContact CZ-CD 3.93Å; K358-G360 PolarHBondContact O-N 3.39Å
359	P	71	Confident	82.3	Confident	24 Å²	24	43.8 Å²	43.8	16%	0.156	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.8	127.8	-178.3	27.4	-34.6	0	0	0	111	R219 R221 D363	R219-P359 HydrophobicContact CG-CG 4.2Å; R221-P359 PolarHBondContact NH2-O 3.08Å; P359-D363 HydrophobicContact CB-CB 3.91Å
360	G	69.1	Low	82.4	Confident	8 Å²	8	39.6 Å²	39.6	8%	0.082	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63	172.5	167.6	0	0	0	0	0	112.6	C72 R221 K358 A362 D363	C72-G360 CarbonylContact O-C 3.54Å; C72-G360 WeakPolarHBondContact O-CA 3.43Å; R221-G360 PolarHBondContact NH2-O 2.99Å; K358-G360 PolarHBondContact O-N 3.39Å; G360-A362 PolarHBondContact O-N 3.26Å; G360-D363 PolarHBondContact N-OD2 2.89Å; G360-D363 PolarHBondContact O-N 3.22Å
361	L	73.6	Confident	82.5	Confident	34 Å²	34	37.9 Å²	37.9	18%	0.178	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-39.8	179.3	-85.1	160.7	0	0	0	113.6	C72 L117 S118 E121 R221	C72-L361 PolarHBondContact O-N 3.07Å; L117-L361 HydrophobicContact CB-CD1 3.32Å; L117-L361 HydrophobicContact CB-CG 4.36Å; L117-L361 HydrophobicContact CD1-CD1 3.85Å; L117-L361 HydrophobicContact CG-CD1 4.23Å; S118-L361 WeakPolarHBondContact O-CD1 3.33Å; E121-L361 HydrophobicContact CG-CD1 3.84Å; R221-L361 VanDerWaalsContact NH1-CG 3.33Å
362	A	67.8	Low	82.5	Confident	41 Å²	41	37.8 Å²	37.8	34%	0.339	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	7.9	-177.5	0	0	0	0	0	114.1	C72 G73 G360	C72-A362 PolarHBondContact O-N 3.03Å; G73-A362 VanDerWaalsContact C-CB 3.41Å; G73-A362 WeakPolarHBondContact O-CB 3.05Å; G360-A362 PolarHBondContact O-N 3.26Å
363	D	74.4	Confident	82.4	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.128	19%	0.192	C	C	.	.	S	Bend	trans	-73.3	151.7	174.9	-74.2	-17.9	0	0	0	109.6	C72 K357 P359 G360 Q365	C72-D363 WeakPolarHBondContact CB-OD1 3.12Å; C72-D363 PolarHBondContact SG-OD1 3.24Å; K357-D363 VanDerWaalsContact CE-OD2 3.26Å; K357-D363 WeakPolarHBondContact CE-OD2 3.47Å; K357-D363 IonicContact NZ-OD1 2.87Å; K357-D363 IonicContact NZ-OD2 4Å; K357-D363 PolarHBondContact NZ-OD2 2.85Å; P359-D363 HydrophobicContact CB-CB 3.91Å; G360-D363 PolarHBondContact N-OD2 2.89Å; G360-D363 PolarHBondContact O-N 3.22Å; D363-Q365 PolarHBondContact O-N 2.94Å
364	R	72.6	Confident	82.5	Confident	131 Å²	131	36.9 Å²	36.9	49%	0.494	19%	0.185	S	C	.	.			trans	-60.8	125.5	175.4	-80.4	-174.6	69.7	-167.8	2.3	109.8	D366 V367	R364-D366 VanDerWaalsContact CB-OD1 3.28Å; R364-D366 WeakPolarHBondContact CB-OD1 3.44Å; R364-D366 IonicContact CZ-OD1 3.94Å; R364-D366 IonicContact CZ-OD2 3.79Å; R364-D366 IonicContact NE-OD1 3.5Å; R364-D366 PolarHBondContact NE-OD1 2.84Å; R364-D366 IonicContact NE-OD2 3.02Å; R364-D366 PolarHBondContact NE-OD2 2.73Å; R364-D366 IonicContact NH2-OD1 3.92Å; R364-D366 IonicContact NH2-OD2 2.91Å; R364-D366 PolarHBondContact NH2-OD2 3.45Å; R364-V367 HydrophobicContact CB-CG2 3.69Å
365	Q	78.6	Confident	82.5	Confident	66 Å²	66	35.3 Å²	35.3	31%	0.308	18%	0.177	S	C	.	.	S	Bend	trans	-88.6	-9.1	178.4	-66.5	-67.9	-9.8	0	0	112.7	V314 G315 D363	V314-Q365 WeakPolarHBondContact CG1-O 3.31Å; G315-Q365 PolarHBondContact N-O 2.84Å; D363-Q365 PolarHBondContact O-N 2.94Å
366	D	83.6	Confident	82.7	Confident	75 Å²	75	31 Å²	31	40%	0.401	16%	0.157	S	C	.	.	S	Bend	trans	-96	2.7	-177.7	63.8	-36	0	0	0	113.5	V314 R364 P386	V314-D366 WeakPolarHBondContact CG1-O 3.14Å; R364-D366 VanDerWaalsContact CB-OD1 3.28Å; R364-D366 WeakPolarHBondContact CB-OD1 3.44Å; R364-D366 IonicContact CZ-OD1 3.94Å; R364-D366 IonicContact CZ-OD2 3.79Å; R364-D366 IonicContact NE-OD1 3.5Å; R364-D366 PolarHBondContact NE-OD1 2.84Å; R364-D366 IonicContact NE-OD2 3.02Å; R364-D366 PolarHBondContact NE-OD2 2.73Å; R364-D366 IonicContact NH2-OD1 3.92Å; R364-D366 IonicContact NH2-OD2 2.91Å; R364-D366 PolarHBondContact NH2-OD2 3.45Å; D366-P386 WeakPolarHBondContact O-CD 3.49Å
367	V	88.4	Confident	82.9	Confident	5 Å²	5	29.1 Å²	29.1	3%	0.03	15%	0.146	C	C	.	.	S	Bend	trans	-131.1	150.6	173.7	-60.1	0	0	0	0	111.4	R219 R364 E369 L384 D385	R219-V367 PolarHBondContact NH2-O 3.34Å; R219-V367 VanDerWaalsContact NH2-O 3.17Å; R364-V367 HydrophobicContact CB-CG2 3.69Å; V367-E369 HydrophobicContact CG2-CG 4.37Å; V367-L384 WeakPolarHBondContact CA-O 3.4Å; V367-D385 HydrophobicContact CG1-CB 4.11Å
368	L	89.3	Confident	83.2	Confident	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.1	166.9	-173.9	68.3	0	0	0	109	D312 V314 L319 T356 F370 S383 L384	D312-L368 WeakPolarHBondContact OD2-CD1 3.36Å; V314-L368 HydrophobicContact CG2-CB 4.09Å; V314-L368 HydrophobicContact CG2-CD1 4.38Å; L319-L368 HydrophobicContact CD1-CB 4.14Å; L319-L368 HydrophobicContact CD1-CD2 4.24Å; T356-L368 HydrophobicContact CG2-CD1 4.44Å; L368-F370 HydrophobicContact CD2-CD1 3.99Å; L368-F370 HydrophobicContact CD2-CE1 4.41Å; L368-F370 HydrophobicContact CG-CD1 4.02Å; L368-S383 CarbonylContact O-C 3.35Å; L368-S383 WeakPolarHBondContact O-CA 3.38Å; L368-L384 HydrophobicContact CB-CB 4.32Å; L368-L384 PolarHBondContact N-O 2.99Å; L368-L384 PolarHBondContact O-N 3.25Å
369	E	89.2	Confident	83.9	Confident	66 Å²	66	26 Å²	26	31%	0.308	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.8	169.8	-62.3	-176.3	134.5	0	0	109.1	K357 V367 F382	K357-E369 HydrophobicContact CB-CB 3.97Å; K357-E369 VanDerWaalsContact CB-O 3.31Å; K357-E369 WeakPolarHBondContact CB-O 3.48Å; K357-E369 HydrophobicContact CD-CB 4.07Å; K357-E369 WeakPolarHBondContact CD-OE2 3.43Å; K357-E369 PolarHBondContact N-O 3.13Å; K357-E369 IonicContact NZ-OE2 3.43Å; K357-E369 PolarHBondContact NZ-OE2 3.28Å; V367-E369 HydrophobicContact CG2-CG 4.37Å; E369-F382 WeakPolarHBondContact CA-O 3.31Å
370	F	89.8	Confident	84.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.2	179.3	59.5	-87.1	0	0	0	111.5	Y68 L331 L347 I354 E355 T356 L368 L372 F382 L384 L390	Y68-F370 WeakPolarHBondContact OH-CA 3.25Å; Y68-F370 PolarHBondContact OH-N 2.87Å; L331-F370 HydrophobicContact CD1-CE1 3.88Å; L331-F370 HydrophobicContact CD1-CE2 4.32Å; L331-F370 HydrophobicContact CD1-CZ 3.59Å; L347-F370 HydrophobicContact CD2-CE2 4.46Å; L347-F370 HydrophobicContact CD2-CZ 4.49Å; I354-F370 HydrophobicContact CD1-CB 4.33Å; I354-F370 HydrophobicContact CD1-CD2 3.66Å; I354-F370 HydrophobicContact CD1-CE2 4.03Å; I354-F370 HydrophobicContact CD1-CG 4.01Å; I354-F370 HydrophobicContact CG1-CB 4.11Å; I354-F370 HydrophobicContact CG1-CD2 3.82Å; I354-F370 HydrophobicContact CG1-CG 4.2Å; E355-F370 CarbonylContact O-C 3.56Å; E355-F370 WeakPolarHBondContact O-CA 3.48Å; E355-F370 VanDerWaalsContact O-CB 3.31Å; E355-F370 WeakPolarHBondContact O-CB 3.16Å; T356-F370 HydrophobicContact CG2-CB 4.33Å; L368-F370 HydrophobicContact CD2-CD1 3.99Å; L368-F370 HydrophobicContact CD2-CE1 4.41Å; L368-F370 HydrophobicContact CG-CD1 4.02Å; F370-L372 HydrophobicContact CD2-CD2 3.77Å; F370-L372 HydrophobicContact CD2-CG 3.93Å; F370-L372 HydrophobicContact CE2-CD1 4.06Å; F370-L372 HydrophobicContact CE2-CD2 3.71Å; F370-L372 HydrophobicContact CE2-CG 3.72Å; F370-F382 HydrophobicContact CD1-CB 4.45Å; F370-F382 HydrophobicContact CD2-CB 3.97Å; F370-F382 HydrophobicContact CE1-CB 4.07Å; F370-F382 HydrophobicContact CE2-CB 3.55Å; F370-F382 HydrophobicContact CE2-CD2 4.45Å; F370-F382 HydrophobicContact CE2-CG 4.09Å; F370-F382 HydrophobicContact CG-CB 4.43Å; F370-F382 HydrophobicContact CZ-CB 3.63Å; F370-F382 HydrophobicContact CZ-CG 4.38Å; F370-F382 PolarHBondContact N-O 2.78Å; F370-F382 PolarHBondContact O-N 2.97Å; F370-L384 HydrophobicContact CE1-CB 3.89Å; F370-L390 HydrophobicContact CE1-CD1 4.02Å; F370-L390 HydrophobicContact CE2-CD1 4.5Å; F370-L390 HydrophobicContact CZ-CD1 3.49Å; F370-L390 VanDerWaalsContact CZ-CD1 3.49Å
371	L	90	Very high	85.6	Confident	4 Å²	4	27.6 Å²	27.6	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.1	171.2	-53.9	179.5	0	0	0	109.1	P66 Y68 I354 E355 P379 V380 P381	P66-L371 HydrophobicContact CB-CD2 4.18Å; P66-L371 WeakPolarHBondContact O-CD1 3.02Å; Y68-L371 HydrophobicContact CD2-CD1 4.43Å; Y68-L371 HydrophobicContact CE1-CD2 4.37Å; Y68-L371 HydrophobicContact CE1-CG 4.3Å; Y68-L371 HydrophobicContact CE2-CD1 3.99Å; Y68-L371 HydrophobicContact CE2-CG 3.73Å; Y68-L371 WeakPolarHBondContact OH-CG 3.48Å; Y68-L371 PolarHBondContact OH-N 2.9Å; Y68-L371 VanDerWaalsContact OH-N 3.08Å; I354-L371 WeakPolarHBondContact CA-O 3.46Å; E355-L371 HydrophobicContact CB-CB 4.38Å; E355-L371 PolarHBondContact N-O 3.38Å; E355-L371 PolarHBondContact O-N 2.67Å; L371-P379 HydrophobicContact CB-CB 4.07Å; L371-P379 HydrophobicContact CD1-CB 3.87Å; L371-P379 HydrophobicContact CG-CB 4.42Å; L371-V380 WeakPolarHBondContact CA-O 3.34Å; L371-P381 HydrophobicContact CD2-CB 3.77Å
372	L	91.6	Very high	86.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.4	165.8	-63.5	-176.5	0	0	0	109.6	L347 P348 W350 A351 S353 I354 F370 P379 V380 F382	L347-L372 HydrophobicContact CB-CD1 4.37Å; L347-L372 HydrophobicContact CD1-CD1 4.47Å; L347-L372 HydrophobicContact CD1-CD2 4.03Å; L347-L372 HydrophobicContact CD2-CD1 4.16Å; P348-L372 HydrophobicContact CG-CD1 4.28Å; W350-L372 HydrophobicContact CH2-CB 3.91Å; W350-L372 HydrophobicContact CZ3-CB 4.32Å; A351-L372 HydrophobicContact CB-CB 4.24Å; A351-L372 HydrophobicContact CB-CD1 4.12Å; A351-L372 HydrophobicContact CB-CD2 4.44Å; S353-L372 WeakPolarHBondContact O-CA 3.34Å; I354-L372 HydrophobicContact CB-CD2 3.82Å; I354-L372 HydrophobicContact CD1-CD2 4.15Å; I354-L372 HydrophobicContact CG1-CD2 3.91Å; F370-L372 HydrophobicContact CD2-CD2 3.77Å; F370-L372 HydrophobicContact CD2-CG 3.93Å; F370-L372 HydrophobicContact CE2-CD1 4.06Å; F370-L372 HydrophobicContact CE2-CD2 3.71Å; F370-L372 HydrophobicContact CE2-CG 3.72Å; L372-P379 CarbonylContact O-C 3.58Å; L372-P379 WeakPolarHBondContact O-CA 3.42Å; L372-V380 PolarHBondContact N-O 3.31Å; L372-V380 PolarHBondContact O-N 2.92Å; L372-F382 HydrophobicContact CB-CD2 4.1Å; L372-F382 HydrophobicContact CB-CE2 3.94Å; L372-F382 HydrophobicContact CD1-CD2 3.79Å; L372-F382 HydrophobicContact CD1-CE2 3.61Å; L372-F382 HydrophobicContact CD1-CG 4.36Å; L372-F382 HydrophobicContact CD1-CZ 4Å; L372-F382 HydrophobicContact CG-CD2 3.77Å; L372-F382 HydrophobicContact CG-CE2 3.92Å
373	S	91.6	Very high	87.5	Confident	9 Å²	9	25.5 Å²	25.5	6%	0.063	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	171.2	176.4	70.3	0	0	0	0	111.5	C352 S353	C352-S373 PolarHBondContact N-O 3.24Å; S353-S373 PolarHBondContact N-O 3.03Å; S353-S373 PolarHBondContact O-N 3.36Å; S353-S373 VanDerWaalsContact O-N 3.07Å
374	S	92.3	Very high	88.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	171.6	164.5	76.6	0	0	0	0	108	W350 V376 H377 M454 F456	W350-S374 VanDerWaalsContact O-CB 3.25Å; W350-S374 WeakPolarHBondContact O-CB 3.39Å; S374-V376 PolarHBondContact O-N 3.19Å; S374-V376 PolarHBondContact OG-N 3.1Å; S374-H377 PolarHBondContact N-O 3.28Å; S374-H377 PolarHBondContact O-N 3.1Å; S374-H377 VanDerWaalsContact OG-CB 3.26Å; S374-H377 WeakPolarHBondContact OG-CB 3.5Å; S374-H377 PolarHBondContact OG-N 3.2Å; S374-H377 PolarHBondContact OG-ND1 3.26Å; S374-M454 CarbonylContact C-O 3.59Å; S374-M454 WeakPolarHBondContact CA-O 3.07Å; S374-F456 WeakPolarHBondContact O-CA 3.33Å; S374-F456 WeakPolarHBondContact O-CB 3.39Å; S374-F456 PolarHBondContact O-N 3.39Å
375	P	92.3	Very high	89.1	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-26	179.8	-30.8	39.2	0	0	0	115.3	L427 M454 E455 C457 R460 Y472	P375-L427 HydrophobicContact CB-CD2 4.44Å; P375-L427 HydrophobicContact CG-CD1 4.22Å; P375-L427 HydrophobicContact CG-CD2 4.43Å; P375-M454 WeakPolarHBondContact CD-O 3.27Å; P375-M454 HydrophobicContact CG-CB 4.28Å; P375-M454 HydrophobicContact CG-CE 3.73Å; P375-M454 HydrophobicContact CG-SD 3.91Å; P375-E455 WeakPolarHBondContact CA-O 3.45Å; P375-C457 PolarHBondContact O-N 2.82Å; P375-R460 HydrophobicContact CB-CB 4.32Å; P375-Y472 HydrophobicContact CB-CE2 4.04Å; P375-Y472 WeakPolarHBondContact CB-OH 3.47Å; P375-Y472 HydrophobicContact CG-CE1 4.21Å; P375-Y472 HydrophobicContact CG-CE2 3.64Å; P375-Y472 VanDerWaalsContact CG-CZ 3.44Å; P375-Y472 VanDerWaalsContact CG-OH 3.26Å; P375-Y472 WeakPolarHBondContact CG-OH 3.34Å
376	V	91.3	Very high	89.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-8	-173.6	-56.7	0	0	0	0	113.5	S374 L427 R461 L464 L470	S374-V376 PolarHBondContact O-N 3.19Å; S374-V376 PolarHBondContact OG-N 3.1Å; V376-L427 HydrophobicContact CB-CD2 4.41Å; V376-L427 HydrophobicContact CG1-CD2 4.16Å; V376-L427 HydrophobicContact CG2-CD2 3.52Å; V376-R461 WeakPolarHBondContact O-CD 3.5Å; V376-R461 PolarHBondContact O-NH1 3.17Å; V376-L464 HydrophobicContact CB-CD2 3.64Å; V376-L464 HydrophobicContact CG1-CB 4.13Å; V376-L464 HydrophobicContact CG1-CD2 3.4Å; V376-L464 VanDerWaalsContact CG1-CD2 3.4Å; V376-L464 HydrophobicContact CG1-CG 4.28Å; V376-L464 HydrophobicContact CG2-CD2 3.77Å; V376-L470 HydrophobicContact CG1-CD1 3.91Å
377	H	89.3	Confident	89.6	Confident	2 Å²	2	20.3 Å²	20.3	1%	0.009	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.5	176.5	-62.5	102.1	0	0	0	109.6	W350 S374 H404 F456	W350-H377 HydrophobicContact CE3-CB 3.75Å; W350-H377 AromaticContact CE3-CG 3.93Å; W350-H377 HydrophobicContact CZ3-CB 3.89Å; S374-H377 PolarHBondContact N-O 3.28Å; S374-H377 PolarHBondContact O-N 3.1Å; S374-H377 VanDerWaalsContact OG-CB 3.26Å; S374-H377 WeakPolarHBondContact OG-CB 3.5Å; S374-H377 PolarHBondContact OG-N 3.2Å; S374-H377 PolarHBondContact OG-ND1 3.26Å; H377-H404 AromaticContact CD2-ND1 3.29Å; H377-H404 PolarHBondContact CD2-ND1 2.72Å; H377-H404 VanDerWaalsContact CD2-ND1 3.29Å; H377-F456 WeakPolarHBondContact O-CB 3.45Å; H377-F456 VanDerWaalsContact O-CD2 3.31Å; H377-F456 WeakPolarHBondContact O-CD2 3.41Å
378	P	88.9	Confident	89.4	Confident	35 Å²	35	27 Å²	27	23%	0.227	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	154.8	-179.3	27.1	-34.5	0	0	0	111	I65 V380 F456	I65-P378 HydrophobicContact CD1-CB 3.99Å; I65-P378 HydrophobicContact CG1-CB 4.13Å; P378-V380 WeakPolarHBondContact O-CG2 3.44Å; P378-V380 PolarHBondContact O-N 2.81Å; P378-F456 HydrophobicContact CB-CD1 4.43Å; P378-F456 HydrophobicContact CB-CD2 4.49Å; P378-F456 HydrophobicContact CB-CE1 4.31Å; P378-F456 HydrophobicContact CB-CE2 4.35Å; P378-F456 HydrophobicContact CB-CZ 4.26Å
379	P	87.4	Confident	89.2	Confident	19 Å²	19	27.9 Å²	27.9	12%	0.123	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	124.2	175.9	-26.3	34.7	0	0	0	112.7	I65 L371 L372 F456	I65-P379 HydrophobicContact CG2-CB 3.97Å; I65-P379 VanDerWaalsContact CG2-CD 3.49Å; I65-P379 HydrophobicContact CG2-CG 3.53Å; L371-P379 HydrophobicContact CB-CB 4.07Å; L371-P379 HydrophobicContact CD1-CB 3.87Å; L371-P379 HydrophobicContact CG-CB 4.42Å; L372-P379 CarbonylContact O-C 3.58Å; L372-P379 WeakPolarHBondContact O-CA 3.42Å; P379-F456 HydrophobicContact CG-CB 4.34Å
380	V	87.8	Confident	89	Confident	30 Å²	30	27.2 Å²	27.2	18%	0.182	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.6	176.8	-179.2	0	0	0	0	108.8	W350 L371 L372 P378 F382 L392	W350-V380 HydrophobicContact CH2-CB 4.15Å; W350-V380 HydrophobicContact CH2-CG2 3.87Å; W350-V380 HydrophobicContact CZ2-CG2 4.25Å; L371-V380 WeakPolarHBondContact CA-O 3.34Å; L372-V380 PolarHBondContact N-O 3.31Å; L372-V380 PolarHBondContact O-N 2.92Å; P378-V380 WeakPolarHBondContact O-CG2 3.44Å; P378-V380 PolarHBondContact O-N 2.81Å; V380-F382 HydrophobicContact CB-CE2 3.94Å; V380-F382 HydrophobicContact CG1-CD2 4.27Å; V380-F382 HydrophobicContact CG1-CE2 3.67Å; V380-F382 HydrophobicContact CG1-CZ 4.32Å; V380-F382 WeakPolarHBondContact O-CD2 3.49Å; V380-L392 HydrophobicContact CG1-CD2 4.18Å
381	P	88.7	Confident	88.6	Confident	35 Å²	35	31.3 Å²	31.3	23%	0.227	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.2	-178.3	32.2	-33.6	0	0	0	112.4	P66 L371 S393	P66-P381 HydrophobicContact CG-CG 4.49Å; L371-P381 HydrophobicContact CD2-CB 3.77Å; P381-S393 PolarHBondContact O-N 3.5Å
382	F	89.8	Confident	87.9	Confident	15 Å²	15	36.1 Å²	36.1	7%	0.066	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.5	174.3	-74.1	-97.8	0	0	0	110.6	P348 E369 F370 L372 V380 L390 L392 S393	P348-F382 HydrophobicContact CG-CZ 4.12Å; E369-F382 WeakPolarHBondContact CA-O 3.31Å; F370-F382 HydrophobicContact CD1-CB 4.45Å; F370-F382 HydrophobicContact CD2-CB 3.97Å; F370-F382 HydrophobicContact CE1-CB 4.07Å; F370-F382 HydrophobicContact CE2-CB 3.55Å; F370-F382 HydrophobicContact CE2-CD2 4.45Å; F370-F382 HydrophobicContact CE2-CG 4.09Å; F370-F382 HydrophobicContact CG-CB 4.43Å; F370-F382 HydrophobicContact CZ-CB 3.63Å; F370-F382 HydrophobicContact CZ-CG 4.38Å; F370-F382 PolarHBondContact N-O 2.78Å; F370-F382 PolarHBondContact O-N 2.97Å; L372-F382 HydrophobicContact CB-CD2 4.1Å; L372-F382 HydrophobicContact CB-CE2 3.94Å; L372-F382 HydrophobicContact CD1-CD2 3.79Å; L372-F382 HydrophobicContact CD1-CE2 3.61Å; L372-F382 HydrophobicContact CD1-CG 4.36Å; L372-F382 HydrophobicContact CD1-CZ 4Å; L372-F382 HydrophobicContact CG-CD2 3.77Å; L372-F382 HydrophobicContact CG-CE2 3.92Å; V380-F382 HydrophobicContact CB-CE2 3.94Å; V380-F382 HydrophobicContact CG1-CD2 4.27Å; V380-F382 HydrophobicContact CG1-CE2 3.67Å; V380-F382 HydrophobicContact CG1-CZ 4.32Å; V380-F382 WeakPolarHBondContact O-CD2 3.49Å; F382-L390 HydrophobicContact CB-CD1 4.07Å; F382-L390 HydrophobicContact CD1-CD1 3.8Å; F382-L390 HydrophobicContact CD1-CD2 3.96Å; F382-L390 HydrophobicContact CD1-CG 3.9Å; F382-L390 HydrophobicContact CE1-CD2 4.15Å; F382-L390 HydrophobicContact CE1-CG 4.46Å; F382-L390 HydrophobicContact CG-CD1 4.34Å; F382-L392 HydrophobicContact CD1-CD2 3.75Å; F382-L392 HydrophobicContact CD1-CG 4.34Å; F382-L392 HydrophobicContact CD2-CD2 4.42Å; F382-L392 HydrophobicContact CE1-CD2 3.24Å; F382-L392 HydrophobicContact CE1-CG 3.93Å; F382-L392 HydrophobicContact CE2-CD2 3.96Å; F382-L392 HydrophobicContact CG-CD2 4.33Å; F382-L392 HydrophobicContact CZ-CD2 3.35Å; F382-L392 HydrophobicContact CZ-CG 4.45Å; F382-S393 WeakPolarHBondContact CA-OG 3.5Å; F382-S393 PolarHBondContact O-OG 3.18Å
383	S	90.8	Very high	86.5	Confident	16 Å²	16	38.6 Å²	38.6	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	128.4	172.5	-173.7	0	0	0	0	108.6	L368 L391 S393	L368-S383 CarbonylContact O-C 3.35Å; L368-S383 WeakPolarHBondContact O-CA 3.38Å; S383-L391 PolarHBondContact N-O 3.24Å; S383-L391 WeakPolarHBondContact O-CA 3.45Å; S383-L391 PolarHBondContact O-N 3.36Å; S383-L391 VanDerWaalsContact O-O 3.06Å; S383-S393 VanDerWaalsContact CB-OG 3.31Å; S383-S393 WeakPolarHBondContact CB-OG 3.37Å; S383-S393 PolarHBondContact N-OG 2.97Å
384	L	90.5	Very high	84.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.6	175.5	172.3	60.8	0	0	0	109.2	L319 L331 V333 I345 V367 L368 F370 L390	L319-L384 HydrophobicContact CD2-CD2 3.41Å; L319-L384 VanDerWaalsContact CD2-CD2 3.41Å; L319-L384 HydrophobicContact CD2-CG 4.38Å; L331-L384 HydrophobicContact CD1-CD2 3.84Å; V333-L384 HydrophobicContact CG2-CD2 4.01Å; I345-L384 HydrophobicContact CD1-CD1 3.4Å; I345-L384 VanDerWaalsContact CD1-CD1 3.4Å; I345-L384 HydrophobicContact CD1-CD2 4.08Å; I345-L384 HydrophobicContact CD1-CG 4.41Å; V367-L384 WeakPolarHBondContact CA-O 3.4Å; L368-L384 HydrophobicContact CB-CB 4.32Å; L368-L384 PolarHBondContact N-O 2.99Å; L368-L384 PolarHBondContact O-N 3.25Å; F370-L384 HydrophobicContact CE1-CB 3.89Å; L384-L390 HydrophobicContact CB-CD1 4.3Å
385	D	90.3	Very high	82.5	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.059	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.6	165.5	178.2	-38.1	0	0	0	106.5	V367 E387 K388 G389	V367-D385 HydrophobicContact CG1-CB 4.11Å; D385-E387 PolarHBondContact O-N 3.19Å; D385-E387 VanDerWaalsContact O-N 3.07Å; D385-E387 PolarHBondContact OD1-N 3Å; D385-K388 HydrophobicContact CB-CB 3.99Å; D385-K388 HydrophobicContact CB-CG 4.37Å; D385-K388 PolarHBondContact O-N 2.88Å; D385-K388 VanDerWaalsContact O-N 3.14Å; D385-K388 PolarHBondContact OD1-N 3.31Å; D385-K388 VanDerWaalsContact OD1-N 3.13Å; D385-K388 WeakPolarHBondContact OD2-CD 3.14Å; D385-K388 WeakPolarHBondContact OD2-CG 3.31Å; D385-K388 IonicContact OD2-NZ 2.65Å; D385-K388 PolarHBondContact OD2-NZ 2.96Å; D385-G389 PolarHBondContact N-O 3.48Å; D385-G389 WeakPolarHBondContact O-CA 3.47Å; D385-G389 PolarHBondContact O-N 3.47Å
386	P	87.3	Confident	80.2	Confident	22 Å²	22	50.5 Å²	50.5	14%	0.143	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.6	-175.4	-27.5	35.8	0	0	0	114.9	V314 Y317 V333 D366	V314-P386 HydrophobicContact CB-CG 4.42Å; V314-P386 HydrophobicContact CG1-CG 4.08Å; Y317-P386 HydrophobicContact CD1-CB 3.67Å; Y317-P386 HydrophobicContact CD2-CB 3.32Å; Y317-P386 HydrophobicContact CD2-CG 3.74Å; Y317-P386 HydrophobicContact CE1-CB 3.95Å; Y317-P386 HydrophobicContact CE2-CB 3.64Å; Y317-P386 HydrophobicContact CE2-CG 4.4Å; Y317-P386 HydrophobicContact CG-CB 3.34Å; Y317-P386 HydrophobicContact CG-CG 3.88Å; V333-P386 HydrophobicContact CG1-CB 3.91Å; D366-P386 WeakPolarHBondContact O-CD 3.49Å
387	E	86.1	Confident	77.9	Confident	153 Å²	153	54.6 Å²	54.6	72%	0.715	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-36	177.5	-65.5	-174.8	173.4	0	0	112.4	Y317 D385	Y317-E387 HydrophobicContact CE2-CG 4.27Å; Y317-E387 WeakPolarHBondContact OH-CG 3.49Å; D385-E387 PolarHBondContact O-N 3.19Å; D385-E387 VanDerWaalsContact O-N 3.07Å; D385-E387 PolarHBondContact OD1-N 3Å
388	K	83.8	Confident	75.9	Confident	145 Å²	145	61 Å²	61	63%	0.63	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-14.2	-176.1	-55.2	-171.7	-171.1	97.6	0	114.4	D385	D385-K388 HydrophobicContact CB-CB 3.99Å; D385-K388 HydrophobicContact CB-CG 4.37Å; D385-K388 PolarHBondContact O-N 2.88Å; D385-K388 VanDerWaalsContact O-N 3.14Å; D385-K388 PolarHBondContact OD1-N 3.31Å; D385-K388 VanDerWaalsContact OD1-N 3.13Å; D385-K388 WeakPolarHBondContact OD2-CD 3.14Å; D385-K388 WeakPolarHBondContact OD2-CG 3.31Å; D385-K388 IonicContact OD2-NZ 2.65Å; D385-K388 PolarHBondContact OD2-NZ 2.96Å
389	G	84.4	Confident	73.6	Confident	22 Å²	22	64.4 Å²	64.4	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-165.8	-175.6	0	0	0	0	0	113.9	D385	D385-G389 PolarHBondContact N-O 3.48Å; D385-G389 WeakPolarHBondContact O-CA 3.47Å; D385-G389 PolarHBondContact O-N 3.47Å
390	L	85.1	Confident	71.6	Confident	52 Å²	52	68.3 Å²	68.3	27%	0.272	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.1	-175.1	-174.7	64	0	0	0	111.4	I345 L347 F370 F382 L384	I345-L390 HydrophobicContact CG2-CB 4.15Å; I345-L390 HydrophobicContact CG2-CD2 4.17Å; L347-L390 HydrophobicContact CD2-CD2 4.16Å; F370-L390 HydrophobicContact CE1-CD1 4.02Å; F370-L390 HydrophobicContact CE2-CD1 4.5Å; F370-L390 HydrophobicContact CZ-CD1 3.49Å; F370-L390 VanDerWaalsContact CZ-CD1 3.49Å; F382-L390 HydrophobicContact CB-CD1 4.07Å; F382-L390 HydrophobicContact CD1-CD1 3.8Å; F382-L390 HydrophobicContact CD1-CD2 3.96Å; F382-L390 HydrophobicContact CD1-CG 3.9Å; F382-L390 HydrophobicContact CE1-CD2 4.15Å; F382-L390 HydrophobicContact CE1-CG 4.46Å; F382-L390 HydrophobicContact CG-CD1 4.34Å; L384-L390 HydrophobicContact CB-CD1 4.3Å
391	L	80.9	Confident	69.4	Low	87 Å²	87	72 Å²	72	46%	0.455	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142	177.7	-59.6	174	0	0	0	110	S383	S383-L391 PolarHBondContact N-O 3.24Å; S383-L391 WeakPolarHBondContact O-CA 3.45Å; S383-L391 PolarHBondContact O-N 3.36Å; S383-L391 VanDerWaalsContact O-O 3.06Å
392	L	76.4	Confident	67.8	Low	105 Å²	105	74.2 Å²	74.2	55%	0.55	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.6	167.1	-75.9	164.6	0	0	0	108.5	V380 F382 D394	V380-L392 HydrophobicContact CG1-CD2 4.18Å; F382-L392 HydrophobicContact CD1-CD2 3.75Å; F382-L392 HydrophobicContact CD1-CG 4.34Å; F382-L392 HydrophobicContact CD2-CD2 4.42Å; F382-L392 HydrophobicContact CE1-CD2 3.24Å; F382-L392 HydrophobicContact CE1-CG 3.93Å; F382-L392 HydrophobicContact CE2-CD2 3.96Å; F382-L392 HydrophobicContact CG-CD2 4.33Å; F382-L392 HydrophobicContact CZ-CD2 3.35Å; F382-L392 HydrophobicContact CZ-CG 4.45Å; L392-D394 VanDerWaalsContact C-N 3.31Å; L392-D394 PolarHBondContact O-N 3.01Å
393	S	61.1	Low	66.1	Low	51 Å²	51	77 Å²	77	36%	0.357	44%	0.441	S	S	.	.	S	Bend	trans	-70.9	-20.5	-164.8	-60.1	0	0	0	0	114.8	P381 F382 S383	P381-S393 PolarHBondContact O-N 3.5Å; F382-S393 WeakPolarHBondContact CA-OG 3.5Å; F382-S393 PolarHBondContact O-OG 3.18Å; S383-S393 VanDerWaalsContact CB-OG 3.31Å; S383-S393 WeakPolarHBondContact CB-OG 3.37Å; S383-S393 PolarHBondContact N-OG 2.97Å
394	D	57.3	Low	64.7	Low	99 Å²	99	79.8 Å²	79.8	53%	0.529	45%	0.452	S	S	.	.			trans	-166.6	124.3	169.8	-155.4	-23.3	0	0	0	111.3	L392 G396	L392-D394 VanDerWaalsContact C-N 3.31Å; L392-D394 PolarHBondContact O-N 3.01Å; D394-G396 PolarHBondContact O-N 3Å; D394-G396 PolarHBondContact OD1-N 2.9Å
395	P	43.9	Very low	63.5	Low	99 Å²	99	86.6 Å²	86.6	64%	0.643	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-69.2	-20.4	169.5	-15.1	28.5	0	0	0	113.2	T397 Q398	P395-T397 PolarHBondContact O-N 3.2Å; P395-Q398 PolarHBondContact O-N 3.29Å
396	G	43.6	Very low	63	Low	61 Å²	61	91.9 Å²	91.9	63%	0.629	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-75.3	-17.6	-170.7	0	0	0	0	0	115.8	D394 Q398	D394-G396 PolarHBondContact O-N 3Å; D394-G396 PolarHBondContact OD1-N 2.9Å; G396-Q398 VanDerWaalsContact C-N 3.31Å
397	T	43.5	Very low	63	Low	86 Å²	86	91.4 Å²	91.4	53%	0.528	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-88	6.8	176.7	7.2	0	0	0	0	113.6	P395 T399	P395-T397 PolarHBondContact O-N 3.2Å; T397-T399 PolarHBondContact O-N 3.08Å
398	Q	45.5	Very low	63.2	Low	137 Å²	137	87.1 Å²	87.1	64%	0.64	49%	0.491	S	S	*	.			trans	-71.2	52.8	166.5	-66.1	-174.3	18.3	0	0	111.7	P395 G396 H400	P395-Q398 PolarHBondContact O-N 3.29Å; G396-Q398 VanDerWaalsContact C-N 3.31Å; Q398-H400 PolarHBondContact O-N 3.25Å
399	T	40.4	Very low	63.5	Low	107 Å²	107	81.7 Å²	81.7	66%	0.656	47%	0.47	S	S	*	.			trans	-74.2	-8.6	169.4	40.3	0	0	0	0	112.5	T397	T397-T399 PolarHBondContact O-N 3.08Å
400	H	45.8	Very low	63.9	Low	100 Å²	100	82.2 Å²	82.2	46%	0.463	47%	0.469	S	S	.	.			trans	-120.8	77.5	169.2	-64.1	-62.9	0	0	0	110.7	Q398 E402	Q398-H400 PolarHBondContact O-N 3.25Å; H400-E402 PolarHBondContact O-N 3.2Å
401	S	42.5	Very low	64.3	Low	109 Å²	109	82.5 Å²	82.5	76%	0.762	47%	0.466	S	S	*	.			trans	-63.8	60.7	162.3	159.4	0	0	0	0	110.8
402	E	54.4	Low	65	Low	80 Å²	80	79.6 Å²	79.6	37%	0.374	45%	0.451	S	S	.	.			trans	-92	121	159.1	-75.6	-172	179.7	0	0	106.5	R61 H400 H404 R461	R61-E402 IonicContact NH1-OE1 2.95Å; R61-E402 PolarHBondContact NH1-OE1 3.34Å; R61-E402 VanDerWaalsContact NH1-OE1 3.08Å; R61-E402 IonicContact NH1-OE2 3.25Å; H400-E402 PolarHBondContact O-N 3.2Å; E402-H404 PolarHBondContact O-N 3.09Å; E402-R461 IonicContact OE2-CZ 3.39Å; E402-R461 IonicContact OE2-NH2 3.09Å; E402-R461 PolarHBondContact OE2-NH2 3.16Å
403	S	54.5	Low	66	Low	74 Å²	74	80.3 Å²	80.3	52%	0.517	45%	0.45	S	S	.	.			trans	-60.8	127.8	-177.1	80.1	0	0	0	0	109.9	D405 K406	S403-D405 PolarHBondContact O-N 2.66Å; S403-D405 VanDerWaalsContact O-N 3.12Å; S403-K406 PolarHBondContact O-N 3.04Å
404	H	61.2	Low	67.8	Low	74 Å²	74	77.9 Å²	77.9	34%	0.343	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-59.8	-19.4	173.2	-71	-88.4	0	0	0	111.5	H377 E402 K406 Y407	H377-H404 AromaticContact CD2-ND1 3.29Å; H377-H404 PolarHBondContact CD2-ND1 2.72Å; H377-H404 VanDerWaalsContact CD2-ND1 3.29Å; E402-H404 PolarHBondContact O-N 3.09Å; H404-K406 PolarHBondContact O-N 3.24Å; H404-Y407 PolarHBondContact O-N 3.36Å
405	D	64.5	Low	69.7	Low	145 Å²	145	77 Å²	77	78%	0.775	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-68.3	-13.1	-178.6	-57.9	-24.4	0	0	0	114.4	S403 Y407	S403-D405 PolarHBondContact O-N 2.66Å; S403-D405 VanDerWaalsContact O-N 3.12Å; D405-Y407 VanDerWaalsContact C-N 3.29Å; D405-Y407 PolarHBondContact O-N 3.13Å
406	K	80.4	Confident	72.3	Confident	122 Å²	122	72.6 Å²	72.6	53%	0.53	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-72.6	-21.3	-179.8	-176.2	175.5	175.4	-168.4	0	113.1	S403 H404	S403-K406 PolarHBondContact O-N 3.04Å; H404-K406 PolarHBondContact O-N 3.24Å
407	Y	88	Confident	74.7	Confident	11 Å²	11	77.2 Å²	77.2	4%	0.043	41%	0.41	C	S	.	.	S	Bend	trans	-123.7	125.6	-172.7	-52.2	-77.2	0	0	0	111.1	H404 D405 A429 R461 L464 E465	H404-Y407 PolarHBondContact O-N 3.36Å; D405-Y407 VanDerWaalsContact C-N 3.29Å; D405-Y407 PolarHBondContact O-N 3.13Å; Y407-A429 HydrophobicContact CD1-CB 4.01Å; Y407-A429 HydrophobicContact CE1-CB 4.17Å; Y407-R461 PolarHBondContact OH-NE 3.14Å; Y407-R461 PolarHBondContact OH-NH2 2.82Å; Y407-R461 VanDerWaalsContact OH-NH2 3.15Å; Y407-L464 HydrophobicContact CD1-CD2 3.14Å; Y407-L464 HydrophobicContact CD1-CG 3.84Å; Y407-L464 HydrophobicContact CE1-CD2 3.76Å; Y407-L464 HydrophobicContact CE1-CG 4.12Å; Y407-L464 HydrophobicContact CG-CD2 3.79Å; Y407-E465 HydrophobicContact CE1-CG 4.46Å; Y407-E465 WeakPolarHBondContact OH-CG 3.45Å; Y407-E465 PolarHBondContact OH-OE1 3.49Å
408	V	89.3	Confident	77.3	Confident	64 Å²	64	76.4 Å²	76.4	39%	0.388	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.4	-172.6	-178	0	0	0	0	109.3	L427 H428	V408-L427 WeakPolarHBondContact O-CA 3.38Å; V408-H428 WeakPolarHBondContact CB-CE1 3.17Å; V408-H428 PolarHBondContact N-O 3.19Å; V408-H428 PolarHBondContact O-N 2.89Å; V408-H428 VanDerWaalsContact O-N 3.11Å
409	T	91.7	Very high	79.7	Confident	31 Å²	31	72 Å²	72	19%	0.19	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.6	170.8	-59.3	0	0	0	0	108.6	T425	T409-T425 HydrophobicContact CG2-CG2 3.71Å
410	T	92.6	Very high	82.4	Confident	33 Å²	33	68.2 Å²	68.2	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.9	177.4	-58.5	0	0	0	0	110.1	L412 L426 H428 V432	T410-L412 HydrophobicContact CG2-CD2 3.84Å; T410-L412 HydrophobicContact CG2-CG 4.21Å; T410-L426 PolarHBondContact N-O 2.97Å; T410-L426 PolarHBondContact O-N 3.39Å; T410-H428 PolarHBondContact OG1-NE2 2.83Å; T410-V432 HydrophobicContact CG2-CG2 4.49Å
411	R	93.2	Very high	84.9	Confident	57 Å²	57	67.4 Å²	67.4	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.9	175.4	-55.7	-66.9	-177.7	175.2	-1.2	109.2	T425	R411-T425 PolarHBondContact NH1-OG1 2.97Å
412	L	95.7	Very high	87.5	Confident	27 Å²	27	62.2 Å²	62.2	14%	0.141	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	160	176.8	-55.5	173.1	0	0	0	109.9	T410 V424 L426 L508	T410-L412 HydrophobicContact CG2-CD2 3.84Å; T410-L412 HydrophobicContact CG2-CG 4.21Å; L412-V424 HydrophobicContact CB-CB 4.19Å; L412-V424 PolarHBondContact N-O 3.07Å; L412-V424 PolarHBondContact O-N 3.27Å; L412-L426 HydrophobicContact CD1-CD2 4.48Å; L412-L508 HydrophobicContact CD1-CD2 4Å
413	K	97.1	Very high	89.6	Confident	119 Å²	119	59.1 Å²	59.1	52%	0.517	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.4	171.4	-65.2	-177.2	-179.2	-176.9	0	108.7	L421 V422 K507	K413-L421 HydrophobicContact CB-CB 4.37Å; K413-L421 HydrophobicContact CD-CD1 4.19Å; K413-V422 WeakPolarHBondContact CA-O 3.44Å; K413-K507 WeakPolarHBondContact O-CE 2.83Å
414	A	98.2	Very high	91.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.8	175.9	0	0	0	0	0	109.7	S416 L421 V422 V424 A503 C504 K507	A414-S416 PolarHBondContact O-N 2.76Å; A414-L421 CarbonylContact O-C 3.56Å; A414-L421 WeakPolarHBondContact O-CA 3.39Å; A414-V422 HydrophobicContact CB-CB 4.4Å; A414-V422 PolarHBondContact N-O 3.46Å; A414-V422 PolarHBondContact O-N 3.2Å; A414-V424 HydrophobicContact CB-CG2 4.37Å; A414-A503 HydrophobicContact CB-CB 4.33Å; A414-C504 HydrophobicContact CB-CB 4.49Å; A414-K507 HydrophobicContact CB-CB 3.62Å; A414-K507 HydrophobicContact CB-CG 4.05Å
415	C	98.3	Very high	93.4	Very high	82 Å²	82	52.1 Å²	52.1	55%	0.554	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	111	177.3	-172.4	0	0	0	0	109.4	L421 A503	C415-L421 HydrophobicContact CB-CD2 4.18Å; C415-A503 WeakPolarHBondContact O-CB 3.21Å
416	S	97.9	Very high	94.9	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.035	24%	0.242	C	C	.	.			trans	-69	170.4	172.4	-163.7	0	0	0	0	111.4	A414 D418 G419 T420 R476 D500	A414-S416 PolarHBondContact O-N 2.76Å; S416-D418 PolarHBondContact O-N 2.81Å; S416-G419 PolarHBondContact O-N 3.08Å; S416-T420 WeakPolarHBondContact CB-O 3.44Å; S416-T420 PolarHBondContact N-O 2.87Å; S416-R476 PolarHBondContact OG-NH2 3.4Å; S416-D500 WeakPolarHBondContact CB-OD1 3.43Å; S416-D500 PolarHBondContact OG-OD1 3.34Å
417	Q	95.1	Very high	95.7	Very high	158 Å²	158	39.4 Å²	39.4	74%	0.738	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-32.8	-175.4	-175.5	172.6	-6	0	0	112.9	G419	Q417-G419 VanDerWaalsContact C-N 3.28Å; Q417-G419 PolarHBondContact O-N 2.82Å
418	D	96.3	Very high	96	Very high	70 Å²	70	39.1 Å²	39.1	37%	0.374	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	10.6	177.6	65.6	5.4	0	0	0	113.8	S416 T420 R476 R496	S416-D418 PolarHBondContact O-N 2.81Å; D418-T420 VanDerWaalsContact C-N 3.29Å; D418-T420 PolarHBondContact O-N 2.93Å; D418-T420 WeakPolarHBondContact OD1-CB 3.33Å; D418-T420 PolarHBondContact OD1-N 2.85Å; D418-T420 VanDerWaalsContact OD1-N 3.11Å; D418-T420 PolarHBondContact OD1-OG1 3.27Å; D418-R476 IonicContact OD1-CZ 2.75Å; D418-R476 IonicContact OD1-NH1 3.44Å; D418-R476 IonicContact OD1-NH2 2.71Å; D418-R476 PolarHBondContact OD1-NH2 3.37Å; D418-R476 VanDerWaalsContact OD1-NH2 3.13Å; D418-R476 IonicContact OD2-CZ 2.66Å; D418-R476 IonicContact OD2-NH1 3.32Å; D418-R476 PolarHBondContact OD2-NH1 3.27Å; D418-R476 IonicContact OD2-NH2 2.84Å; D418-R476 PolarHBondContact OD2-NH2 3.24Å; D418-R476 VanDerWaalsContact OD2-NH2 3.09Å; D418-R496 IonicContact OD2-NH1 3.1Å; D418-R496 PolarHBondContact OD2-NH1 3.47Å
419	G	97.1	Very high	96.2	Very high	45 Å²	45	37.8 Å²	37.8	46%	0.464	21%	0.212	S	C	.	.	S	Bend	trans	84.7	-4.1	-178.9	0	0	0	0	0	114.4	S416 Q417 L421	S416-G419 PolarHBondContact O-N 3.08Å; Q417-G419 VanDerWaalsContact C-N 3.28Å; Q417-G419 PolarHBondContact O-N 2.82Å; G419-L421 PolarHBondContact O-N 2.93Å
420	T	96.9	Very high	96.1	Very high	27 Å²	27	39.5 Å²	39.5	17%	0.166	22%	0.222	C	C	.	.			trans	-63.8	130.4	178.3	-57.3	0	0	0	0	111	S416 D418 V422 R476 W485	S416-T420 WeakPolarHBondContact CB-O 3.44Å; S416-T420 PolarHBondContact N-O 2.87Å; D418-T420 VanDerWaalsContact C-N 3.29Å; D418-T420 PolarHBondContact O-N 2.93Å; D418-T420 WeakPolarHBondContact OD1-CB 3.33Å; D418-T420 PolarHBondContact OD1-N 2.85Å; D418-T420 VanDerWaalsContact OD1-N 3.11Å; D418-T420 PolarHBondContact OD1-OG1 3.27Å; T420-V422 PolarHBondContact O-N 2.76Å; T420-R476 PolarHBondContact OG1-NH1 3.07Å; T420-W485 HydrophobicContact CG2-CH2 3.53Å; T420-W485 HydrophobicContact CG2-CZ3 3.46Å; T420-W485 VanDerWaalsContact CG2-CZ3 3.46Å
421	L	97.3	Very high	96	Very high	83 Å²	83	41.4 Å²	41.4	44%	0.435	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	104.3	174.7	-62.1	-178.7	0	0	0	110.6	K413 A414 C415 G419	K413-L421 HydrophobicContact CB-CB 4.37Å; K413-L421 HydrophobicContact CD-CD1 4.19Å; A414-L421 CarbonylContact O-C 3.56Å; A414-L421 WeakPolarHBondContact O-CA 3.39Å; C415-L421 HydrophobicContact CB-CD2 4.18Å; G419-L421 PolarHBondContact O-N 2.93Å
422	V	98	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.8	178.6	-174.6	0	0	0	0	109.6	K413 A414 T420 I475 W485 D500 C504	K413-V422 WeakPolarHBondContact CA-O 3.44Å; A414-V422 HydrophobicContact CB-CB 4.4Å; A414-V422 PolarHBondContact N-O 3.46Å; A414-V422 PolarHBondContact O-N 3.2Å; T420-V422 PolarHBondContact O-N 2.76Å; V422-I475 HydrophobicContact CG1-CG2 4.38Å; V422-W485 HydrophobicContact CG1-CZ2 4.34Å; V422-W485 HydrophobicContact CG2-CH2 4.37Å; V422-D500 HydrophobicContact CG1-CB 4.33Å; V422-D500 HydrophobicContact CG2-CB 3.78Å; V422-D500 VanDerWaalsContact CG2-CG 3.48Å; V422-C504 VanDerWaalsContact CG1-SG 3.54Å
423	P	97.7	Very high	95.7	Very high	14 Å²	14	45.8 Å²	45.8	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.4	177.2	-17.9	31.5	0	0	0	112.1	N327 H474 R481	N327-P423 HydrophobicContact CB-CB 4.06Å; N327-P423 HydrophobicContact CB-CG 4.35Å; P423-H474 HydrophobicContact CB-CB 4.15Å; P423-H474 HydrophobicContact CG-CB 4.5Å; P423-H474 WeakPolarHBondContact O-CB 3.38Å; P423-H474 PolarHBondContact O-CD2 3.5Å; P423-H474 PolarHBondContact O-N 2.82Å; P423-R481 HydrophobicContact CG-CG 4.45Å
424	V	98.2	Very high	95.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.9	170	-179.9	0	0	0	0	108.6	L412 A414 A471 Y472 C504 L508	L412-V424 HydrophobicContact CB-CB 4.19Å; L412-V424 PolarHBondContact N-O 3.07Å; L412-V424 PolarHBondContact O-N 3.27Å; A414-V424 HydrophobicContact CB-CG2 4.37Å; V424-A471 HydrophobicContact CG1-CB 4.33Å; V424-Y472 WeakPolarHBondContact CA-O 3.49Å; V424-C504 HydrophobicContact CG2-CB 3.82Å; V424-C504 WeakPolarHBondContact CG2-SG 3.46Å; V424-L508 HydrophobicContact CG1-CD1 4.45Å; V424-L508 HydrophobicContact CG1-CD2 4.16Å; V424-L508 HydrophobicContact CG1-CG 4.48Å
425	T	97.4	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.3	172.9	-57.1	0	0	0	0	109.5	T409 R411 L427 M454 A471 Y472 H474	T409-T425 HydrophobicContact CG2-CG2 3.71Å; R411-T425 PolarHBondContact NH1-OG1 2.97Å; T425-L427 HydrophobicContact CG2-CD1 4.35Å; T425-M454 HydrophobicContact CG2-CE 3.7Å; T425-A471 CarbonylContact O-C 3.39Å; T425-A471 WeakPolarHBondContact O-CA 3.47Å; T425-Y472 PolarHBondContact N-O 2.82Å; T425-Y472 PolarHBondContact O-N 2.82Å; T425-H474 PolarHBondContact OG1-NE2 2.89Å
426	L	97.4	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.3	179.7	-179	71.4	0	0	0	109.2	T410 L412 V432 L435 L440 A469 L470 A471 L508 V513	T410-L426 PolarHBondContact N-O 2.97Å; T410-L426 PolarHBondContact O-N 3.39Å; L412-L426 HydrophobicContact CD1-CD2 4.48Å; L426-V432 HydrophobicContact CD2-CG2 4.34Å; L426-L435 HydrophobicContact CD2-CD1 4.03Å; L426-L440 HydrophobicContact CD1-CD1 4.45Å; L426-A469 HydrophobicContact CD1-CB 4.24Å; L426-L470 CarbonylContact C-O 3.38Å; L426-L470 WeakPolarHBondContact CA-O 3.42Å; L426-A471 HydrophobicContact CD1-CB 4.09Å; L426-L508 HydrophobicContact CD1-CD2 4.08Å; L426-V513 HydrophobicContact CD1-CG1 3.91Å; L426-V513 HydrophobicContact CD2-CG1 4.2Å; L426-V513 HydrophobicContact CD2-CG2 3.72Å
427	L	96.6	Very high	95.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.6	170.5	-56	100.8	0	0	0	109.1	P375 V376 V408 T425 M454 L464 L470 Y472	P375-L427 HydrophobicContact CB-CD2 4.44Å; P375-L427 HydrophobicContact CG-CD1 4.22Å; P375-L427 HydrophobicContact CG-CD2 4.43Å; V376-L427 HydrophobicContact CB-CD2 4.41Å; V376-L427 HydrophobicContact CG1-CD2 4.16Å; V376-L427 HydrophobicContact CG2-CD2 3.52Å; V408-L427 WeakPolarHBondContact O-CA 3.38Å; T425-L427 HydrophobicContact CG2-CD1 4.35Å; L427-M454 HydrophobicContact CD1-CE 4.09Å; L427-L464 HydrophobicContact CB-CD1 4.42Å; L427-L464 WeakPolarHBondContact O-CD1 3.29Å; L427-L470 HydrophobicContact CB-CB 4.38Å; L427-L470 HydrophobicContact CD1-CB 4.42Å; L427-L470 PolarHBondContact N-O 3.08Å; L427-L470 PolarHBondContact O-N 3.32Å; L427-Y472 HydrophobicContact CD1-CD2 3.57Å; L427-Y472 HydrophobicContact CD1-CE2 3.53Å
428	H	94.9	Very high	95.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158.5	-177.6	59.2	83.9	0	0	0	111.3	V408 T410 V430 V432 L435	V408-H428 WeakPolarHBondContact CB-CE1 3.17Å; V408-H428 PolarHBondContact N-O 3.19Å; V408-H428 PolarHBondContact O-N 2.89Å; V408-H428 VanDerWaalsContact O-N 3.11Å; T410-H428 PolarHBondContact OG1-NE2 2.83Å; H428-V430 PolarHBondContact CE1-O 2.93Å; H428-V430 PolarHBondContact ND1-O 3.44Å; H428-V432 WeakPolarHBondContact NE2-CG2 3.49Å; H428-L435 HydrophobicContact CB-CD1 3.74Å; H428-L435 HydrophobicContact CB-CD2 4.1Å
429	A	92.5	Very high	95.2	Very high	36 Å²	36	41.1 Å²	41.1	30%	0.298	24%	0.241	S	C	.	.	S	Bend	trans	-102.2	-13	178.7	0	0	0	0	0	113.4	Y407 L464	Y407-A429 HydrophobicContact CD1-CB 4.01Å; Y407-A429 HydrophobicContact CE1-CB 4.17Å; A429-L464 HydrophobicContact CB-CG 4.45Å
430	V	90.7	Very high	95.3	Very high	68 Å²	68	39 Å²	39	41%	0.412	22%	0.219	S	C	.	.	S	Bend	trans	-131	151.8	-178.2	-60.7	0	0	0	0	109.2	H428 D434 L435	H428-V430 PolarHBondContact CE1-O 2.93Å; H428-V430 PolarHBondContact ND1-O 3.44Å; V430-D434 HydrophobicContact CB-CB 4.4Å; V430-D434 HydrophobicContact CG2-CB 4.05Å; V430-L435 HydrophobicContact CG2-CD2 3.5Å; V430-L435 VanDerWaalsContact CG2-CD2 3.5Å; V430-L435 HydrophobicContact CG2-CG 4.37Å
431	P	90.4	Very high	95.4	Very high	73 Å²	73	37.7 Å²	37.7	47%	0.474	21%	0.211	S	C	.	.			trans	-48.5	149.6	-179.5	-26.3	35	0	0	0	113.4	E433 D434	P431-E433 WeakPolarHBondContact CB-OE2 3.2Å; P431-E433 PolarHBondContact O-N 3.33Å; P431-E433 VanDerWaalsContact O-N 3.09Å; P431-D434 PolarHBondContact O-N 3.21Å
432	V	90.6	Very high	95.5	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.17	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.3	-173.3	172.8	0	0	0	0	111.9	T410 L426 H428 D434 L435 V513	T410-V432 HydrophobicContact CG2-CG2 4.49Å; L426-V432 HydrophobicContact CD2-CG2 4.34Å; H428-V432 WeakPolarHBondContact NE2-CG2 3.49Å; V432-D434 PolarHBondContact O-N 3.21Å; V432-L435 WeakPolarHBondContact O-CB 3.4Å; V432-L435 PolarHBondContact O-N 3.34Å; V432-L435 VanDerWaalsContact O-N 3.15Å; V432-V513 HydrophobicContact CG1-CG2 3.85Å
433	E	90.4	Very high	95.5	Very high	147 Å²	147	34.3 Å²	34.3	69%	0.687	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-62.5	-27.4	179.3	-58	73.6	-158.9	0	0	112.6	P431	P431-E433 WeakPolarHBondContact CB-OE2 3.2Å; P431-E433 PolarHBondContact O-N 3.33Å; P431-E433 VanDerWaalsContact O-N 3.09Å
434	D	93.6	Very high	95.5	Very high	111 Å²	111	33.8 Å²	33.8	59%	0.594	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-92.4	1.5	-179	-63.3	-33.3	0	0	0	112.7	V430 P431 V432 S436	V430-D434 HydrophobicContact CB-CB 4.4Å; V430-D434 HydrophobicContact CG2-CB 4.05Å; P431-D434 PolarHBondContact O-N 3.21Å; V432-D434 PolarHBondContact O-N 3.21Å; D434-S436 PolarHBondContact O-N 3.42Å
435	L	96.1	Very high	95.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-87	1.7	-176.3	-62.4	179.7	0	0	0	114.7	L426 H428 V430 V432 Q437 A438 A469 G512 V513 S514	L426-L435 HydrophobicContact CD2-CD1 4.03Å; H428-L435 HydrophobicContact CB-CD1 3.74Å; H428-L435 HydrophobicContact CB-CD2 4.1Å; V430-L435 HydrophobicContact CG2-CD2 3.5Å; V430-L435 VanDerWaalsContact CG2-CD2 3.5Å; V430-L435 HydrophobicContact CG2-CG 4.37Å; V432-L435 WeakPolarHBondContact O-CB 3.4Å; V432-L435 PolarHBondContact O-N 3.34Å; V432-L435 VanDerWaalsContact O-N 3.15Å; L435-Q437 PolarHBondContact O-N 2.64Å; L435-Q437 VanDerWaalsContact O-N 3.15Å; L435-A438 HydrophobicContact CB-CB 4.28Å; L435-A438 HydrophobicContact CD2-CB 3.92Å; L435-A438 WeakPolarHBondContact O-CB 3.38Å; L435-A438 PolarHBondContact O-N 2.76Å; L435-A469 HydrophobicContact CD1-CB 4.41Å; L435-A469 HydrophobicContact CD2-CB 4.38Å; L435-G512 CarbonylContact C-O 3.4Å; L435-V513 HydrophobicContact CB-CG1 4.37Å; L435-V513 HydrophobicContact CD1-CG1 4.24Å; L435-V513 HydrophobicContact CD1-CG2 4.3Å; L435-S514 WeakPolarHBondContact O-CA 3.44Å; L435-S514 PolarHBondContact O-N 3.02Å
436	S	94.9	Very high	95.3	Very high	53 Å²	53	34.9 Å²	34.9	37%	0.371	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-62.5	-26.9	-173.4	68.6	0	0	0	0	114.1	D434 G512	D434-S436 PolarHBondContact O-N 3.42Å; S436-G512 WeakPolarHBondContact CA-O 3.45Å; S436-G512 PolarHBondContact N-O 3.04Å; S436-G512 VanDerWaalsContact N-O 3.13Å
437	Q	94.3	Very high	95.2	Very high	144 Å²	144	34.9 Å²	34.9	67%	0.673	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-110.5	6.1	175.9	-57.6	-56.5	-56	0	0	113	L435 L518	L435-Q437 PolarHBondContact O-N 2.64Å; L435-Q437 VanDerWaalsContact O-N 3.15Å; Q437-L518 WeakPolarHBondContact O-CD1 3.32Å
438	A	96.6	Very high	94.9	Very high	11 Å²	11	35.6 Å²	35.6	9%	0.091	20%	0.199	C	C	.	.	S	Bend	trans	-72.7	135.7	178.4	0	0	0	0	0	110.3	L435 L440 S514	L435-A438 HydrophobicContact CB-CB 4.28Å; L435-A438 HydrophobicContact CD2-CB 3.92Å; L435-A438 WeakPolarHBondContact O-CB 3.38Å; L435-A438 PolarHBondContact O-N 2.76Å; A438-L440 PolarHBondContact O-N 3.36Å; A438-S514 WeakPolarHBondContact O-CB 3.48Å; A438-S514 PolarHBondContact O-OG 3.21Å
439	P	98.1	Very high	94.8	Very high	15 Å²	15	36.3 Å²	36.3	10%	0.097	21%	0.208	C	C	.	.			trans	-58.4	134.8	164.8	-22.6	34.8	0	0	0	110	W468 A469 L518 L683 L685	P439-W468 HydrophobicContact CB-CD2 3.5Å; P439-W468 HydrophobicContact CB-CE3 3.68Å; P439-W468 HydrophobicContact CB-CG 3.97Å; P439-W468 HydrophobicContact CB-CH2 4.14Å; P439-W468 HydrophobicContact CB-CZ2 3.95Å; P439-W468 HydrophobicContact CB-CZ3 3.99Å; P439-W468 HydrophobicContact CG-CD2 4.43Å; P439-W468 CarbonylContact O-C 3.55Å; P439-W468 VanDerWaalsContact O-CA 3.31Å; P439-W468 WeakPolarHBondContact O-CA 3.09Å; P439-A469 PolarHBondContact O-N 3.32Å; P439-L518 WeakPolarHBondContact CA-O 3.22Å; P439-L683 HydrophobicContact CB-CD1 4.3Å; P439-L685 HydrophobicContact CB-CD1 3.9Å; P439-L685 HydrophobicContact CG-CD1 3.6Å; P439-L685 HydrophobicContact CG-CD2 3.66Å; P439-L685 HydrophobicContact CG-CG 4.29Å
440	L	98.6	Very high	94.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.2	-177.2	174	64.9	0	0	0	110.2	L426 A438 V442 A469 A471 L508 F509 V513 S514 L518 T519 A520	L426-L440 HydrophobicContact CD1-CD1 4.45Å; A438-L440 PolarHBondContact O-N 3.36Å; L440-V442 HydrophobicContact CD1-CG2 4.31Å; L440-V442 HydrophobicContact CD2-CG2 3.87Å; L440-V442 HydrophobicContact CG-CG2 3.79Å; L440-A469 WeakPolarHBondContact CA-O 3.34Å; L440-A469 HydrophobicContact CD1-CB 3.92Å; L440-A471 HydrophobicContact CD1-CB 3.87Å; L440-L508 HydrophobicContact CD2-CB 4.41Å; L440-L508 HydrophobicContact CD2-CD1 4.16Å; L440-F509 HydrophobicContact CD2-CE1 4.31Å; L440-V513 HydrophobicContact CD1-CG1 4.32Å; L440-V513 HydrophobicContact CD2-CG1 4.43Å; L440-S514 VanDerWaalsContact CB-CB 3.48Å; L440-S514 WeakPolarHBondContact CB-OG 3.17Å; L440-L518 PolarHBondContact N-O 3.39Å; L440-T519 HydrophobicContact CB-CG2 4.47Å; L440-T519 HydrophobicContact CD2-CG2 4.01Å; L440-T519 HydrophobicContact CG-CG2 4.26Å; L440-T519 WeakPolarHBondContact O-CA 3.29Å; L440-A520 PolarHBondContact O-N 2.94Å
441	L	98.6	Very high	94.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.3	168.3	-173	62.5	0	0	0	110.2	L463 W468 A469 L470 A471 A520 T522 L679	L441-L463 HydrophobicContact CD2-CD1 3.71Å; L441-W468 HydrophobicContact CB-CE3 3.9Å; L441-W468 HydrophobicContact CB-CZ3 4Å; L441-A469 PolarHBondContact N-O 2.93Å; L441-L470 HydrophobicContact CB-CD2 3.95Å; L441-L470 HydrophobicContact CD2-CD2 4.41Å; L441-L470 WeakPolarHBondContact O-CA 3.46Å; L441-A471 PolarHBondContact O-N 2.74Å; L441-A520 WeakPolarHBondContact CA-O 3.12Å; L441-A520 HydrophobicContact CD1-CB 4.03Å; L441-T522 HydrophobicContact CD1-CG2 3.92Å; L441-T522 HydrophobicContact CD2-CG2 4.24Å; L441-T522 HydrophobicContact CG-CG2 4.07Å; L441-L679 HydrophobicContact CD1-CD1 4.21Å
442	V	98.8	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125	-177.3	-179.1	0	0	0	0	110.4	L440 V444 A471 C473 L505 L508 T519 A520 L521 T522	L440-V442 HydrophobicContact CD1-CG2 4.31Å; L440-V442 HydrophobicContact CD2-CG2 3.87Å; L440-V442 HydrophobicContact CG-CG2 3.79Å; V442-V444 HydrophobicContact CG1-CG2 4.06Å; V442-A471 CarbonylContact C-O 3.48Å; V442-A471 VanDerWaalsContact CA-O 3.32Å; V442-A471 WeakPolarHBondContact CA-O 3.28Å; V442-A471 HydrophobicContact CG2-CB 4.31Å; V442-C473 WeakPolarHBondContact CG1-SG 3.35Å; V442-L505 HydrophobicContact CB-CD2 4.41Å; V442-L505 HydrophobicContact CG1-CD2 4.19Å; V442-L505 HydrophobicContact CG2-CD2 3.78Å; V442-L508 HydrophobicContact CG2-CD1 4.38Å; V442-T519 HydrophobicContact CG2-CG2 3.93Å; V442-A520 PolarHBondContact N-O 3.29Å; V442-L521 HydrophobicContact CB-CD1 4.12Å; V442-L521 HydrophobicContact CB-CG 3.94Å; V442-L521 HydrophobicContact CG1-CG 4.26Å; V442-L521 HydrophobicContact CG2-CD1 4.37Å; V442-L521 CarbonylContact O-C 3.57Å; V442-L521 WeakPolarHBondContact O-CA 3.29Å; V442-T522 PolarHBondContact O-N 3.45Å
443	H	98.6	Very high	94.6	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.4	178.5	-62.1	-58.2	0	0	0	111.2	L452 R460 A471 Y472 C473 T522	H443-L452 HydrophobicContact CB-CD2 4.31Å; H443-L452 WeakPolarHBondContact O-CD2 3.37Å; H443-R460 PolarHBondContact CE1-NE 3.47Å; H443-R460 PolarHBondContact NE2-NE 2.91Å; H443-A471 PolarHBondContact N-O 3.34Å; H443-Y472 HydrophobicContact CB-CD1 3.42Å; H443-Y472 VanDerWaalsContact CB-CD1 3.42Å; H443-Y472 HydrophobicContact CB-CE1 3.65Å; H443-Y472 HydrophobicContact CB-CG 3.98Å; H443-Y472 AromaticContact CD2-CD1 3.81Å; H443-Y472 AromaticContact CD2-CD2 3.82Å; H443-Y472 AromaticContact CD2-CE1 3.38Å; H443-Y472 WeakPolarHBondContact CD2-CE1 3.19Å; H443-Y472 AromaticContact CD2-CE2 3.35Å; H443-Y472 WeakPolarHBondContact CD2-CE2 3.44Å; H443-Y472 AromaticContact CD2-CZ 3.12Å; H443-Y472 PolarHBondContact CD2-OH 3.38Å; H443-Y472 AromaticContact CG-CD1 3.84Å; H443-Y472 AromaticContact CG-CE1 3.56Å; H443-Y472 AromaticContact CG-CZ 3.81Å; H443-Y472 AromaticContact NE2-CZ 3.81Å; H443-C473 PolarHBondContact O-N 3.1Å; H443-T522 WeakPolarHBondContact CE1-CG2 3.43Å; H443-T522 WeakPolarHBondContact ND1-CG2 3.42Å
444	V	97.6	Very high	94.7	Very high	4 Å²	4	29 Å²	29	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	143.8	-175.6	-169.4	0	0	0	0	110.5	V442 C473 I475 L501 T522 A523 P530 V531	V442-V444 HydrophobicContact CG1-CG2 4.06Å; V444-C473 HydrophobicContact CG2-CB 4.36Å; V444-I475 HydrophobicContact CG1-CD1 3.47Å; V444-I475 VanDerWaalsContact CG1-CD1 3.47Å; V444-I475 HydrophobicContact CG1-CG1 4.03Å; V444-L501 HydrophobicContact CB-CD1 4.48Å; V444-L501 HydrophobicContact CG1-CD1 4.24Å; V444-L501 HydrophobicContact CG1-CD2 4.31Å; V444-L501 HydrophobicContact CG2-CD1 3.38Å; V444-L501 HydrophobicContact CG2-CD2 4.19Å; V444-L501 HydrophobicContact CG2-CG 4.41Å; V444-T522 PolarHBondContact N-O 3.14Å; V444-A523 WeakPolarHBondContact O-CB 3.44Å; V444-P530 HydrophobicContact CG1-CG 4.26Å; V444-V531 HydrophobicContact CB-CG2 3.97Å; V444-V531 HydrophobicContact CG1-CG2 4.35Å; V444-V531 HydrophobicContact CG2-CG2 4.16Å
445	Y	96.9	Very high	94.5	Very high	15 Å²	15	27.6 Å²	27.6	6%	0.059	15%	0.152	C	C	.	.			trans	-134.1	-82.5	167.9	-167.7	-104.5	0	0	0	111.4	E9 A447 Y448 R450 G527	E9-Y445 PolarHBondContact OE1-OH 3.39Å; E9-Y445 PolarHBondContact OE2-OH 2.89Å; Y445-A447 HydrophobicContact CE1-CB 4.14Å; Y445-A447 WeakPolarHBondContact CE1-O 3.31Å; Y445-Y448 HydrophobicContact CE1-CD2 4.22Å; Y445-Y448 VanDerWaalsContact OH-CD2 3.32Å; Y445-Y448 WeakPolarHBondContact OH-CD2 3.41Å; Y445-R450 HydrophobicContact CD1-CB 4.31Å; Y445-R450 HydrophobicContact CE1-CB 4.05Å; Y445-G527 VanDerWaalsContact O-CA 3.28Å; Y445-G527 WeakPolarHBondContact O-CA 3.36Å
446	G	95.2	Very high	94.2	Very high	8 Å²	8	28.3 Å²	28.3	8%	0.082	16%	0.155	C	C	.	.			trans	76.5	36.5	168.6	0	0	0	0	0	116	G477	G446-G477 VanDerWaalsContact C-C 3.4Å
447	A	94.3	Very high	93.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	15%	0.15	C	C	.	.			trans	-146	159.5	175.7	0	0	0	0	0	112.2	Y445 G449 R450 G477 A526 E572 W573	Y445-A447 HydrophobicContact CE1-CB 4.14Å; Y445-A447 WeakPolarHBondContact CE1-O 3.31Å; A447-G449 PolarHBondContact O-N 2.88Å; A447-R450 PolarHBondContact O-N 2.81Å; A447-G477 CarbonylContact C-O 3.5Å; A447-G477 VanDerWaalsContact CA-O 3.29Å; A447-G477 WeakPolarHBondContact CA-O 3.34Å; A447-G477 PolarHBondContact N-O 3.44Å; A447-A526 HydrophobicContact CB-CB 3.82Å; A447-E572 WeakPolarHBondContact CA-OE1 3.32Å; A447-W573 HydrophobicContact CB-CH2 4.35Å
448	Y	91.9	Very high	93.5	Very high	15 Å²	15	21 Å²	21	6%	0.059	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	15.8	171.6	-47.9	-67.9	0	0	0	116	E9 Y445 R450 G477 H486 A526 D569 E572 W573	E9-Y448 WeakPolarHBondContact OE1-CD2 3.21Å; E9-Y448 WeakPolarHBondContact OE1-CE2 3.32Å; E9-Y448 VanDerWaalsContact OE2-CD2 3.27Å; E9-Y448 WeakPolarHBondContact OE2-CD2 3.09Å; Y445-Y448 HydrophobicContact CE1-CD2 4.22Å; Y445-Y448 VanDerWaalsContact OH-CD2 3.32Å; Y445-Y448 WeakPolarHBondContact OH-CD2 3.41Å; Y448-R450 PolarHBondContact O-N 2.77Å; Y448-G477 PolarHBondContact N-O 3.41Å; Y448-H486 WeakPolarHBondContact CA-NE2 3.41Å; Y448-A526 HydrophobicContact CD2-CB 4.19Å; Y448-A526 HydrophobicContact CE2-CB 3.32Å; Y448-D569 PolarHBondContact OH-OD2 2.87Å; Y448-E572 HydrophobicContact CD1-CB 3.79Å; Y448-E572 HydrophobicContact CD1-CG 3.53Å; Y448-E572 HydrophobicContact CE1-CB 3.63Å; Y448-E572 HydrophobicContact CE1-CG 3.46Å; Y448-E572 VanDerWaalsContact CE1-CG 3.46Å; Y448-E572 HydrophobicContact CG-CG 4.42Å; Y448-E572 VanDerWaalsContact N-CD 3.31Å; Y448-E572 PolarHBondContact N-OE1 2.83Å; Y448-E572 PolarHBondContact N-OE2 2.92Å; Y448-W573 AromaticContact CE1-NE1 3.99Å; Y448-W573 HydrophobicContact CE2-CZ2 4.46Å; Y448-W573 AromaticContact CZ-CZ2 3.94Å; Y448-W573 AromaticContact CZ-NE1 3.91Å; Y448-W573 PolarHBondContact OH-NE1 3.42Å
449	G	92.4	Very high	93.2	Very high	19 Å²	19	20.6 Å²	20.6	20%	0.196	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	21.4	-177.5	0	0	0	0	0	113.1	A447 G477 G479 H486	A447-G449 PolarHBondContact O-N 2.88Å; G449-G477 WeakPolarHBondContact CA-O 3.12Å; G449-G477 PolarHBondContact N-O 3.29Å; G449-G479 VanDerWaalsContact C-CA 3.45Å; G449-G479 VanDerWaalsContact C-N 3.29Å; G449-G479 WeakPolarHBondContact O-CA 3.4Å; G449-G479 PolarHBondContact O-N 3.16Å; G449-H486 VanDerWaalsContact CA-CG 3.42Å; G449-H486 PolarHBondContact N-CD2 3.29Å; G449-H486 PolarHBondContact N-NE2 2.83Å
450	R	88.4	Confident	92.9	Very high	48 Å²	48	21.5 Å²	21.5	18%	0.181	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-86.8	134.8	177.4	-65.9	-175.8	68.3	-164.9	-1.2	110.4	E9 C10 Y445 A447 Y448 G478 G479	E9-R450 WeakPolarHBondContact OE2-CD 3.36Å; E9-R450 IonicContact OE2-CZ 2.82Å; E9-R450 IonicContact OE2-NE 3.77Å; E9-R450 IonicContact OE2-NH1 3.72Å; E9-R450 PolarHBondContact OE2-NH1 2.87Å; C10-R450 VanDerWaalsContact SG-CZ 3.59Å; C10-R450 PolarHBondContact SG-NH2 3.46Å; Y445-R450 HydrophobicContact CD1-CB 4.31Å; Y445-R450 HydrophobicContact CE1-CB 4.05Å; A447-R450 PolarHBondContact O-N 2.81Å; Y448-R450 PolarHBondContact O-N 2.77Å; R450-G478 CarbonylContact O-C 3.58Å; R450-G478 WeakPolarHBondContact O-CA 3.47Å; R450-G479 VanDerWaalsContact C-N 3.3Å; R450-G479 PolarHBondContact O-N 3.05Å
451	D	91	Very high	92.5	Very high	60 Å²	60	21.8 Å²	21.8	32%	0.321	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-65.5	137.3	168.9	-72	2.6	0	0	0	109.1	K309 S453 G479 E480	K309-D451 WeakPolarHBondContact CD-OD2 2.94Å; K309-D451 WeakPolarHBondContact CE-OD2 3.34Å; K309-D451 IonicContact NZ-OD1 2.66Å; K309-D451 PolarHBondContact NZ-OD1 3.09Å; K309-D451 IonicContact NZ-OD2 2.92Å; K309-D451 PolarHBondContact NZ-OD2 2.72Å; D451-S453 PolarHBondContact O-N 3.3Å; D451-G479 WeakPolarHBondContact OD1-CA 3.21Å; D451-E480 HydrophobicContact CB-CG 4.49Å; D451-E480 WeakPolarHBondContact OD1-CA 3.24Å; D451-E480 PolarHBondContact OD1-N 3Å; D451-E480 VanDerWaalsContact OD1-N 3.08Å
452	L	92.1	Very high	92.2	Very high	19 Å²	19	21.8 Å²	21.8	10%	0.099	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-57.6	124.4	170.8	-178.8	59.4	0	0	0	109.7	H443 M454 Y472 E480	H443-L452 HydrophobicContact CB-CD2 4.31Å; H443-L452 WeakPolarHBondContact O-CD2 3.37Å; L452-M454 WeakPolarHBondContact O-CG 3.47Å; L452-M454 PolarHBondContact O-N 3.01Å; L452-Y472 HydrophobicContact CD2-CD1 3.73Å; L452-Y472 HydrophobicContact CD2-CG 4.26Å; L452-Y472 HydrophobicContact CG-CD1 3.96Å; L452-E480 WeakPolarHBondContact CB-OE1 3.47Å; L452-E480 PolarHBondContact N-OE1 3.44Å
453	S	87.8	Confident	91.9	Very high	62 Å²	62	21.8 Å²	21.8	43%	0.434	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-62.6	128	-176.1	178.8	0	0	0	0	111.5	D451 Y472	D451-S453 PolarHBondContact O-N 3.3Å; S453-Y472 WeakPolarHBondContact O-CE1 3.47Å
454	M	92.6	Very high	91.7	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.054	12%	0.116	C	C	.	.			trans	-127.2	25.6	-177.5	-66.3	-72.3	-70	0	0	111.7	C352 S374 P375 T425 L427 L452 Y472	C352-M454 HydrophobicContact CB-CB 3.57Å; C352-M454 HydrophobicContact CB-CE 3.77Å; C352-M454 HydrophobicContact CB-CG 4.21Å; S374-M454 CarbonylContact C-O 3.59Å; S374-M454 WeakPolarHBondContact CA-O 3.07Å; P375-M454 WeakPolarHBondContact CD-O 3.27Å; P375-M454 HydrophobicContact CG-CB 4.28Å; P375-M454 HydrophobicContact CG-CE 3.73Å; P375-M454 HydrophobicContact CG-SD 3.91Å; T425-M454 HydrophobicContact CG2-CE 3.7Å; L427-M454 HydrophobicContact CD1-CE 4.09Å; L452-M454 WeakPolarHBondContact O-CG 3.47Å; L452-M454 PolarHBondContact O-N 3.01Å; M454-Y472 HydrophobicContact CE-CD1 4.35Å; M454-Y472 HydrophobicContact CE-CD2 3.87Å; M454-Y472 HydrophobicContact CE-CE2 4.25Å; M454-Y472 HydrophobicContact CE-CG 3.92Å; M454-Y472 HydrophobicContact CG-CD1 4.4Å; M454-Y472 VanDerWaalsContact SD-CB 3.59Å; M454-Y472 HydrophobicContact SD-CD1 3.03Å; M454-Y472 WeakPolarHBondContact SD-CD1 3.03Å; M454-Y472 HydrophobicContact SD-CD2 3.6Å; M454-Y472 HydrophobicContact SD-CE1 3.41Å; M454-Y472 WeakPolarHBondContact SD-CE1 3.49Å; M454-Y472 HydrophobicContact SD-CE2 3.95Å; M454-Y472 HydrophobicContact SD-CG 3.11Å
455	E	89.3	Confident	91.4	Very high	81 Å²	81	23.7 Å²	23.7	38%	0.379	13%	0.127	S	C	.	.			trans	-71.8	158.1	175.2	-69.7	171.3	-177.5	0	0	111.4	S353 P375 C457	S353-E455 WeakPolarHBondContact OG-CG 3.34Å; P375-E455 WeakPolarHBondContact CA-O 3.45Å; E455-C457 PolarHBondContact O-N 2.93Å
456	F	90.4	Very high	91.1	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.079	14%	0.14	C	C	.	.			trans	-60	131.2	177.3	179.1	-108	0	0	0	112.7	L16 F62 I65 S374 H377 P378 P379 P458 R461	L16-F456 HydrophobicContact CD1-CD1 4.19Å; L16-F456 HydrophobicContact CD1-CE1 4.5Å; F62-F456 HydrophobicContact CB-CE1 4.19Å; F62-F456 HydrophobicContact CD1-CE1 4.2Å; F62-F456 AromaticContact CD1-CZ 3.83Å; F62-F456 HydrophobicContact CD1-CZ 3.83Å; F62-F456 HydrophobicContact CD2-CE1 4.23Å; F62-F456 AromaticContact CD2-CZ 3.8Å; F62-F456 HydrophobicContact CD2-CZ 3.8Å; F62-F456 AromaticContact CE1-CZ 3.94Å; F62-F456 HydrophobicContact CE1-CZ 3.94Å; F62-F456 AromaticContact CE2-CZ 3.89Å; F62-F456 HydrophobicContact CE2-CZ 3.89Å; F62-F456 AromaticContact CG-CE1 3.95Å; F62-F456 HydrophobicContact CG-CE1 3.95Å; F62-F456 AromaticContact CG-CZ 3.78Å; F62-F456 HydrophobicContact CG-CZ 3.78Å; F62-F456 AromaticContact CZ-CZ 3.98Å; F62-F456 HydrophobicContact CZ-CZ 3.98Å; I65-F456 HydrophobicContact CD1-CD1 3.57Å; I65-F456 HydrophobicContact CD1-CE1 3.32Å; I65-F456 HydrophobicContact CD1-CZ 4.33Å; S374-F456 WeakPolarHBondContact O-CA 3.33Å; S374-F456 WeakPolarHBondContact O-CB 3.39Å; S374-F456 PolarHBondContact O-N 3.39Å; H377-F456 WeakPolarHBondContact O-CB 3.45Å; H377-F456 VanDerWaalsContact O-CD2 3.31Å; H377-F456 WeakPolarHBondContact O-CD2 3.41Å; P378-F456 HydrophobicContact CB-CD1 4.43Å; P378-F456 HydrophobicContact CB-CD2 4.49Å; P378-F456 HydrophobicContact CB-CE1 4.31Å; P378-F456 HydrophobicContact CB-CE2 4.35Å; P378-F456 HydrophobicContact CB-CZ 4.26Å; P379-F456 HydrophobicContact CG-CB 4.34Å; F456-P458 HydrophobicContact CE1-CG 3.83Å; F456-P458 HydrophobicContact CZ-CG 4.42Å; F456-R461 HydrophobicContact CE2-CB 3.94Å; F456-R461 HydrophobicContact CE2-CG 4.37Å; F456-R461 HydrophobicContact CZ-CB 4.28Å
457	C	87.9	Confident	91.1	Very high	38 Å²	38	28 Å²	28	26%	0.257	16%	0.157	S	C	.	.			trans	-132.8	119.1	174.8	178.1	0	0	0	0	109.4	P375 E455 V459 R460 R461	P375-C457 PolarHBondContact O-N 2.82Å; E455-C457 PolarHBondContact O-N 2.93Å; C457-V459 PolarHBondContact O-N 3.1Å; C457-V459 VanDerWaalsContact O-N 3.08Å; C457-R460 HydrophobicContact CB-CB 4.04Å; C457-R460 HydrophobicContact CB-CG 3.66Å; C457-R460 PolarHBondContact O-N 3.49Å; C457-R461 PolarHBondContact O-N 2.9Å
458	P	87.6	Confident	91.2	Very high	4 Å²	4	28 Å²	28	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-53.2	-32.9	177.6	-30.4	36.9	0	0	0	113.7	L16 T58 Y59 F62 F456 F462	L16-P458 HydrophobicContact CD1-CG 4.23Å; L16-P458 HydrophobicContact CD2-CG 3.92Å; T58-P458 HydrophobicContact CG2-CB 4.09Å; T58-P458 WeakPolarHBondContact CG2-O 3.41Å; Y59-P458 HydrophobicContact CD1-CB 4.1Å; Y59-P458 HydrophobicContact CD1-CG 3.85Å; Y59-P458 HydrophobicContact CD2-CB 4.3Å; Y59-P458 HydrophobicContact CE1-CB 3.99Å; Y59-P458 HydrophobicContact CE1-CG 3.68Å; Y59-P458 HydrophobicContact CE2-CB 4.2Å; Y59-P458 HydrophobicContact CG-CB 4.26Å; Y59-P458 HydrophobicContact CG-CG 4.47Å; F62-P458 HydrophobicContact CD2-CB 4.16Å; F62-P458 HydrophobicContact CD2-CG 4.44Å; F456-P458 HydrophobicContact CE1-CG 3.83Å; F456-P458 HydrophobicContact CZ-CG 4.42Å; P458-F462 WeakPolarHBondContact O-CB 3.38Å; P458-F462 PolarHBondContact O-N 2.86Å
459	V	89	Confident	91.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-40.7	178	-174.6	0	0	0	0	111.3	L55 Y59 C457 F462 L463 V671 L676	L55-V459 HydrophobicContact CD2-CG1 4.45Å; L55-V459 HydrophobicContact CD2-CG2 4.24Å; Y59-V459 HydrophobicContact CE2-CG2 4.01Å; Y59-V459 WeakPolarHBondContact OH-CG2 3.42Å; C457-V459 PolarHBondContact O-N 3.1Å; C457-V459 VanDerWaalsContact O-N 3.08Å; V459-F462 WeakPolarHBondContact O-CB 3.19Å; V459-F462 PolarHBondContact O-N 2.77Å; V459-L463 WeakPolarHBondContact O-CG 3.29Å; V459-L463 PolarHBondContact O-N 2.88Å; V459-V671 HydrophobicContact CB-CG1 4.34Å; V459-V671 HydrophobicContact CG1-CG1 3.66Å; V459-V671 HydrophobicContact CG2-CG1 3.71Å; V459-L676 HydrophobicContact CG1-CD1 4.39Å; V459-L676 HydrophobicContact CG1-CD2 4.37Å
460	R	91.4	Very high	91.8	Very high	33 Å²	33	26.4 Å²	26.4	13%	0.125	15%	0.145	C	C	.	.	H	α-helix	trans	-68.7	-40.6	176.9	-59.6	-57.7	173.6	-140.9	-1.6	110.6	P375 H443 C457 F462 L463 L464 L470 E675	P375-R460 HydrophobicContact CB-CB 4.32Å; H443-R460 PolarHBondContact CE1-NE 3.47Å; H443-R460 PolarHBondContact NE2-NE 2.91Å; C457-R460 HydrophobicContact CB-CB 4.04Å; C457-R460 HydrophobicContact CB-CG 3.66Å; C457-R460 PolarHBondContact O-N 3.49Å; R460-F462 VanDerWaalsContact C-N 3.35Å; R460-F462 PolarHBondContact O-N 2.97Å; R460-L463 PolarHBondContact O-N 2.85Å; R460-L464 PolarHBondContact O-N 3.27Å; R460-L464 VanDerWaalsContact O-N 3.08Å; R460-L470 HydrophobicContact CB-CD1 3.77Å; R460-E675 IonicContact CZ-OE1 3.73Å; R460-E675 IonicContact NH1-OE1 3.34Å; R460-E675 PolarHBondContact NH1-OE1 2.93Å; R460-E675 IonicContact NH2-OE1 3.13Å
461	R	91.1	Very high	92.3	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-47	169.2	176.5	51.7	168.8	-134.4	-0.4	112.1	F62 V376 E402 Y407 F456 C457 L464 E465	F62-R461 HydrophobicContact CE2-CB 4.37Å; F62-R461 HydrophobicContact CE2-CG 3.73Å; F62-R461 HydrophobicContact CZ-CG 3.72Å; V376-R461 WeakPolarHBondContact O-CD 3.5Å; V376-R461 PolarHBondContact O-NH1 3.17Å; E402-R461 IonicContact OE2-CZ 3.39Å; E402-R461 IonicContact OE2-NH2 3.09Å; E402-R461 PolarHBondContact OE2-NH2 3.16Å; Y407-R461 PolarHBondContact OH-NE 3.14Å; Y407-R461 PolarHBondContact OH-NH2 2.82Å; Y407-R461 VanDerWaalsContact OH-NH2 3.15Å; F456-R461 HydrophobicContact CE2-CB 3.94Å; F456-R461 HydrophobicContact CE2-CG 4.37Å; F456-R461 HydrophobicContact CZ-CB 4.28Å; C457-R461 PolarHBondContact O-N 2.9Å; R461-L464 PolarHBondContact O-N 3.49Å; R461-E465 IonicContact CZ-OE1 3.57Å; R461-E465 IonicContact NE-OE1 2.76Å; R461-E465 PolarHBondContact NE-OE1 3.03Å; R461-E465 IonicContact NH2-OE1 3.35Å; R461-E465 WeakPolarHBondContact O-CG 3.21Å; R461-E465 PolarHBondContact O-N 3.19Å; R461-E465 VanDerWaalsContact O-N 3.11Å
462	F	91.6	Very high	92.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-48.8	176.9	169.6	-102.2	0	0	0	112.3	F51 R54 L55 T58 P458 V459 R460 L464 E465 E466 L676	F51-F462 AromaticContact CD1-CE1 3.71Å; F51-F462 HydrophobicContact CD1-CE1 3.71Å; F51-F462 AromaticContact CD1-CZ 3.76Å; F51-F462 HydrophobicContact CD1-CZ 3.76Å; F51-F462 AromaticContact CE1-CE1 3.78Å; F51-F462 HydrophobicContact CE1-CE1 3.78Å; F51-F462 AromaticContact CE1-CZ 3.83Å; F51-F462 HydrophobicContact CE1-CZ 3.83Å; R54-F462 HydrophobicContact CB-CE2 3.73Å; R54-F462 HydrophobicContact CB-CZ 4.05Å; R54-F462 HydrophobicContact CG-CE2 4.33Å; L55-F462 HydrophobicContact CD2-CB 4.26Å; L55-F462 HydrophobicContact CD2-CD1 3.94Å; L55-F462 HydrophobicContact CD2-CG 4.06Å; T58-F462 HydrophobicContact CG2-CB 4.22Å; P458-F462 WeakPolarHBondContact O-CB 3.38Å; P458-F462 PolarHBondContact O-N 2.86Å; V459-F462 WeakPolarHBondContact O-CB 3.19Å; V459-F462 PolarHBondContact O-N 2.77Å; R460-F462 VanDerWaalsContact C-N 3.35Å; R460-F462 PolarHBondContact O-N 2.97Å; F462-L464 VanDerWaalsContact C-N 3.3Å; F462-L464 PolarHBondContact O-N 3.38Å; F462-E465 WeakPolarHBondContact O-CB 3.34Å; F462-E465 PolarHBondContact O-N 2.95Å; F462-E465 VanDerWaalsContact O-N 3.09Å; F462-E466 HydrophobicContact CD1-CG 4.44Å; F462-E466 HydrophobicContact CD2-CG 4.13Å; F462-E466 HydrophobicContact CE1-CG 3.96Å; F462-E466 HydrophobicContact CE2-CG 3.6Å; F462-E466 VanDerWaalsContact CE2-OE1 3.32Å; F462-E466 WeakPolarHBondContact CE2-OE1 3.48Å; F462-E466 HydrophobicContact CZ-CG 3.51Å; F462-E466 WeakPolarHBondContact O-CG 3.43Å; F462-E466 PolarHBondContact O-N 2.79Å; F462-L676 HydrophobicContact CD1-CD1 4.22Å; F462-L676 HydrophobicContact CE1-CD1 4.04Å
463	L	93.6	Very high	92.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.1	-44.2	178.1	-76	174.9	0	0	0	112.2	L441 V459 R460 E465 E466 G467 W468 L470 L676 Y680	L441-L463 HydrophobicContact CD2-CD1 3.71Å; V459-L463 WeakPolarHBondContact O-CG 3.29Å; V459-L463 PolarHBondContact O-N 2.88Å; R460-L463 PolarHBondContact O-N 2.85Å; L463-E465 VanDerWaalsContact C-N 3.28Å; L463-E465 PolarHBondContact O-N 3.25Å; L463-E466 CarbonylContact O-C 3.56Å; L463-E466 PolarHBondContact O-N 2.76Å; L463-E466 VanDerWaalsContact O-N 3.13Å; L463-G467 PolarHBondContact O-N 3.42Å; L463-W468 HydrophobicContact CB-CB 4.1Å; L463-W468 HydrophobicContact CB-CG 4.16Å; L463-W468 HydrophobicContact CD2-CD2 3.93Å; L463-W468 HydrophobicContact CD2-CG 4Å; L463-W468 HydrophobicContact CD2-CZ2 4.43Å; L463-W468 VanDerWaalsContact O-CB 3.26Å; L463-W468 WeakPolarHBondContact O-CB 3.4Å; L463-W468 PolarHBondContact O-N 2.93Å; L463-L470 HydrophobicContact CB-CD2 4.27Å; L463-L470 HydrophobicContact CD1-CD2 4.33Å; L463-L676 HydrophobicContact CD1-CD2 4.22Å; L463-L676 HydrophobicContact CD2-CD2 3.64Å; L463-L676 HydrophobicContact CG-CD2 4.12Å; L463-Y680 HydrophobicContact CD2-CE2 4.31Å
464	L	93.1	Very high	93.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-37	177.8	-161.4	72.2	0	0	0	112.1	V376 Y407 L427 A429 R460 R461 F462 G467 W468 L470	V376-L464 HydrophobicContact CB-CD2 3.64Å; V376-L464 HydrophobicContact CG1-CB 4.13Å; V376-L464 HydrophobicContact CG1-CD2 3.4Å; V376-L464 VanDerWaalsContact CG1-CD2 3.4Å; V376-L464 HydrophobicContact CG1-CG 4.28Å; V376-L464 HydrophobicContact CG2-CD2 3.77Å; Y407-L464 HydrophobicContact CD1-CD2 3.14Å; Y407-L464 HydrophobicContact CD1-CG 3.84Å; Y407-L464 HydrophobicContact CE1-CD2 3.76Å; Y407-L464 HydrophobicContact CE1-CG 4.12Å; Y407-L464 HydrophobicContact CG-CD2 3.79Å; L427-L464 HydrophobicContact CB-CD1 4.42Å; L427-L464 WeakPolarHBondContact O-CD1 3.29Å; A429-L464 HydrophobicContact CB-CG 4.45Å; R460-L464 PolarHBondContact O-N 3.27Å; R460-L464 VanDerWaalsContact O-N 3.08Å; R461-L464 PolarHBondContact O-N 3.49Å; F462-L464 VanDerWaalsContact C-N 3.3Å; F462-L464 PolarHBondContact O-N 3.38Å; L464-G467 PolarHBondContact O-N 2.71Å; L464-W468 WeakPolarHBondContact CD1-O 3.39Å; L464-L470 HydrophobicContact CD1-CG 4.38Å
465	E	91.8	Very high	93.7	Very high	53 Å²	53	17.7 Å²	17.7	25%	0.248	10%	0.096	C	C	.	.	H	α-helix	trans	-70.6	-29.5	175.6	-72.2	172.6	171.5	0	0	113.1	R61 Y407 R461 F462 L463 G467	R61-E465 IonicContact CZ-OE1 3.61Å; R61-E465 VanDerWaalsContact CZ-OE1 3.31Å; R61-E465 IonicContact CZ-OE2 2.8Å; R61-E465 IonicContact NH1-OE1 3.51Å; R61-E465 PolarHBondContact NH1-OE1 3.26Å; R61-E465 IonicContact NH1-OE2 3.13Å; R61-E465 IonicContact NH2-OE1 2.93Å; R61-E465 PolarHBondContact NH2-OE1 3.29Å; R61-E465 IonicContact NH2-OE2 2.74Å; R61-E465 PolarHBondContact NH2-OE2 3.31Å; Y407-E465 HydrophobicContact CE1-CG 4.46Å; Y407-E465 WeakPolarHBondContact OH-CG 3.45Å; Y407-E465 PolarHBondContact OH-OE1 3.49Å; R461-E465 IonicContact CZ-OE1 3.57Å; R461-E465 IonicContact NE-OE1 2.76Å; R461-E465 PolarHBondContact NE-OE1 3.03Å; R461-E465 IonicContact NH2-OE1 3.35Å; R461-E465 WeakPolarHBondContact O-CG 3.21Å; R461-E465 PolarHBondContact O-N 3.19Å; R461-E465 VanDerWaalsContact O-N 3.11Å; F462-E465 WeakPolarHBondContact O-CB 3.34Å; F462-E465 PolarHBondContact O-N 2.95Å; F462-E465 VanDerWaalsContact O-N 3.09Å; L463-E465 VanDerWaalsContact C-N 3.28Å; L463-E465 PolarHBondContact O-N 3.25Å; E465-G467 PolarHBondContact O-N 3.06Å
466	E	91.8	Very high	94.1	Very high	70 Å²	70	13.9 Å²	13.9	33%	0.327	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	13.8	174.1	-58.9	-67.9	145.2	0	0	112.5	R54 F462 L463 Y680	R54-E466 IonicContact CZ-OE1 3.96Å; R54-E466 IonicContact NE-OE1 3.96Å; R54-E466 IonicContact NH2-OE1 3.14Å; R54-E466 PolarHBondContact NH2-OE1 2.83Å; F462-E466 HydrophobicContact CD1-CG 4.44Å; F462-E466 HydrophobicContact CD2-CG 4.13Å; F462-E466 HydrophobicContact CE1-CG 3.96Å; F462-E466 HydrophobicContact CE2-CG 3.6Å; F462-E466 VanDerWaalsContact CE2-OE1 3.32Å; F462-E466 WeakPolarHBondContact CE2-OE1 3.48Å; F462-E466 HydrophobicContact CZ-CG 3.51Å; F462-E466 WeakPolarHBondContact O-CG 3.43Å; F462-E466 PolarHBondContact O-N 2.79Å; L463-E466 CarbonylContact O-C 3.56Å; L463-E466 PolarHBondContact O-N 2.76Å; L463-E466 VanDerWaalsContact O-N 3.13Å; E466-Y680 WeakPolarHBondContact CB-OH 3.34Å
467	G	93.7	Very high	94.3	Very high	43 Å²	43	13 Å²	13	44%	0.443	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	11.8	172.7	0	0	0	0	0	115.4	L463 L464 E465	L463-G467 PolarHBondContact O-N 3.42Å; L464-G467 PolarHBondContact O-N 2.71Å; E465-G467 PolarHBondContact O-N 3.06Å
468	W	97.1	Very high	94.7	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.011	6%	0.062	C	C	.	.			trans	-75	149.4	172.3	-70.2	58.9	0	0	0	111.3	P439 L441 L463 L464 L679 Y680 L683 L685	P439-W468 HydrophobicContact CB-CD2 3.5Å; P439-W468 HydrophobicContact CB-CE3 3.68Å; P439-W468 HydrophobicContact CB-CG 3.97Å; P439-W468 HydrophobicContact CB-CH2 4.14Å; P439-W468 HydrophobicContact CB-CZ2 3.95Å; P439-W468 HydrophobicContact CB-CZ3 3.99Å; P439-W468 HydrophobicContact CG-CD2 4.43Å; P439-W468 CarbonylContact O-C 3.55Å; P439-W468 VanDerWaalsContact O-CA 3.31Å; P439-W468 WeakPolarHBondContact O-CA 3.09Å; L441-W468 HydrophobicContact CB-CE3 3.9Å; L441-W468 HydrophobicContact CB-CZ3 4Å; L463-W468 HydrophobicContact CB-CB 4.1Å; L463-W468 HydrophobicContact CB-CG 4.16Å; L463-W468 HydrophobicContact CD2-CD2 3.93Å; L463-W468 HydrophobicContact CD2-CG 4Å; L463-W468 HydrophobicContact CD2-CZ2 4.43Å; L463-W468 VanDerWaalsContact O-CB 3.26Å; L463-W468 WeakPolarHBondContact O-CB 3.4Å; L463-W468 PolarHBondContact O-N 2.93Å; L464-W468 WeakPolarHBondContact CD1-O 3.39Å; W468-L679 HydrophobicContact CH2-CB 3.99Å; W468-L679 HydrophobicContact CH2-CD1 4.32Å; W468-Y680 AromaticContact CE2-CE2 3.83Å; W468-Y680 AromaticContact CZ2-CD2 3.91Å; W468-Y680 HydrophobicContact CZ2-CD2 3.91Å; W468-Y680 AromaticContact CZ2-CE2 3.65Å; W468-Y680 HydrophobicContact CZ2-CE2 3.65Å; W468-Y680 AromaticContact NE1-CE2 3.53Å; W468-Y680 AromaticContact NE1-CZ 3.4Å; W468-Y680 PolarHBondContact NE1-OH 3.39Å; W468-L683 HydrophobicContact CH2-CD1 3.25Å; W468-L683 HydrophobicContact CZ2-CD1 4Å; W468-L683 HydrophobicContact CZ3-CD1 3.77Å; W468-L685 HydrophobicContact CH2-CD1 4.29Å; W468-L685 HydrophobicContact CZ2-CD1 3.44Å; W468-L685 VanDerWaalsContact CZ2-CD1 3.44Å
469	A	98	Very high	94.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	143.8	160.2	0	0	0	0	0	109.9	L426 L435 P439 L440 L441 V513	L426-A469 HydrophobicContact CD1-CB 4.24Å; L435-A469 HydrophobicContact CD1-CB 4.41Å; L435-A469 HydrophobicContact CD2-CB 4.38Å; P439-A469 PolarHBondContact O-N 3.32Å; L440-A469 WeakPolarHBondContact CA-O 3.34Å; L440-A469 HydrophobicContact CD1-CB 3.92Å; L441-A469 PolarHBondContact N-O 2.93Å; A469-V513 HydrophobicContact CB-CG1 4.44Å
470	L	98.4	Very high	95.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.4	176.9	-53.9	178.2	0	0	0	109.6	V376 L426 L427 L441 R460 L463 L464 Y472	V376-L470 HydrophobicContact CG1-CD1 3.91Å; L426-L470 CarbonylContact C-O 3.38Å; L426-L470 WeakPolarHBondContact CA-O 3.42Å; L427-L470 HydrophobicContact CB-CB 4.38Å; L427-L470 HydrophobicContact CD1-CB 4.42Å; L427-L470 PolarHBondContact N-O 3.08Å; L427-L470 PolarHBondContact O-N 3.32Å; L441-L470 HydrophobicContact CB-CD2 3.95Å; L441-L470 HydrophobicContact CD2-CD2 4.41Å; L441-L470 WeakPolarHBondContact O-CA 3.46Å; R460-L470 HydrophobicContact CB-CD1 3.77Å; L463-L470 HydrophobicContact CB-CD2 4.27Å; L463-L470 HydrophobicContact CD1-CD2 4.33Å; L464-L470 HydrophobicContact CD1-CG 4.38Å; L470-Y472 HydrophobicContact CB-CE2 4.22Å
471	A	98.6	Very high	95.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.9	177	0	0	0	0	0	111.1	V424 T425 L426 L440 L441 V442 H443 L508	V424-A471 HydrophobicContact CG1-CB 4.33Å; T425-A471 CarbonylContact O-C 3.39Å; T425-A471 WeakPolarHBondContact O-CA 3.47Å; L426-A471 HydrophobicContact CD1-CB 4.09Å; L440-A471 HydrophobicContact CD1-CB 3.87Å; L441-A471 PolarHBondContact O-N 2.74Å; V442-A471 CarbonylContact C-O 3.48Å; V442-A471 VanDerWaalsContact CA-O 3.32Å; V442-A471 WeakPolarHBondContact CA-O 3.28Å; V442-A471 HydrophobicContact CG2-CB 4.31Å; H443-A471 PolarHBondContact N-O 3.34Å; A471-L508 HydrophobicContact CB-CD1 3.64Å; A471-L508 HydrophobicContact CB-CD2 4.01Å
472	Y	98.4	Very high	95.3	Very high	10 Å²	10	12.9 Å²	12.9	4%	0.039	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.1	176.7	-71.9	-100.6	0	0	0	108.6	P375 V424 T425 L427 H443 L452 S453 M454 L470 H474	P375-Y472 HydrophobicContact CB-CE2 4.04Å; P375-Y472 WeakPolarHBondContact CB-OH 3.47Å; P375-Y472 HydrophobicContact CG-CE1 4.21Å; P375-Y472 HydrophobicContact CG-CE2 3.64Å; P375-Y472 VanDerWaalsContact CG-CZ 3.44Å; P375-Y472 VanDerWaalsContact CG-OH 3.26Å; P375-Y472 WeakPolarHBondContact CG-OH 3.34Å; V424-Y472 WeakPolarHBondContact CA-O 3.49Å; T425-Y472 PolarHBondContact N-O 2.82Å; T425-Y472 PolarHBondContact O-N 2.82Å; L427-Y472 HydrophobicContact CD1-CD2 3.57Å; L427-Y472 HydrophobicContact CD1-CE2 3.53Å; H443-Y472 HydrophobicContact CB-CD1 3.42Å; H443-Y472 VanDerWaalsContact CB-CD1 3.42Å; H443-Y472 HydrophobicContact CB-CE1 3.65Å; H443-Y472 HydrophobicContact CB-CG 3.98Å; H443-Y472 AromaticContact CD2-CD1 3.81Å; H443-Y472 AromaticContact CD2-CD2 3.82Å; H443-Y472 AromaticContact CD2-CE1 3.38Å; H443-Y472 WeakPolarHBondContact CD2-CE1 3.19Å; H443-Y472 AromaticContact CD2-CE2 3.35Å; H443-Y472 WeakPolarHBondContact CD2-CE2 3.44Å; H443-Y472 AromaticContact CD2-CZ 3.12Å; H443-Y472 PolarHBondContact CD2-OH 3.38Å; H443-Y472 AromaticContact CG-CD1 3.84Å; H443-Y472 AromaticContact CG-CE1 3.56Å; H443-Y472 AromaticContact CG-CZ 3.81Å; H443-Y472 AromaticContact NE2-CZ 3.81Å; L452-Y472 HydrophobicContact CD2-CD1 3.73Å; L452-Y472 HydrophobicContact CD2-CG 4.26Å; L452-Y472 HydrophobicContact CG-CD1 3.96Å; S453-Y472 WeakPolarHBondContact O-CE1 3.47Å; M454-Y472 HydrophobicContact CE-CD1 4.35Å; M454-Y472 HydrophobicContact CE-CD2 3.87Å; M454-Y472 HydrophobicContact CE-CE2 4.25Å; M454-Y472 HydrophobicContact CE-CG 3.92Å; M454-Y472 HydrophobicContact CG-CD1 4.4Å; M454-Y472 VanDerWaalsContact SD-CB 3.59Å; M454-Y472 HydrophobicContact SD-CD1 3.03Å; M454-Y472 WeakPolarHBondContact SD-CD1 3.03Å; M454-Y472 HydrophobicContact SD-CD2 3.6Å; M454-Y472 HydrophobicContact SD-CE1 3.41Å; M454-Y472 WeakPolarHBondContact SD-CE1 3.49Å; M454-Y472 HydrophobicContact SD-CE2 3.95Å; M454-Y472 HydrophobicContact SD-CG 3.11Å; L470-Y472 HydrophobicContact CB-CE2 4.22Å; Y472-H474 PolarHBondContact O-CD2 2.7Å; Y472-H474 PolarHBondContact O-NE2 2.71Å
473	C	98.6	Very high	95.3	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.5	-175	-63.4	0	0	0	0	109.4	V442 H443 V444 I475 L501 C504	V442-C473 WeakPolarHBondContact CG1-SG 3.35Å; H443-C473 PolarHBondContact O-N 3.1Å; V444-C473 HydrophobicContact CG2-CB 4.36Å; C473-I475 HydrophobicContact CB-CG2 4.14Å; C473-I475 PolarHBondContact O-N 3.48Å; C473-L501 HydrophobicContact CB-CD1 4.27Å; C473-C504 HydrophobicContact CB-CB 3.97Å; C473-C504 WeakPolarHBondContact SG-CB 3.31Å
474	H	97.8	Very high	95.3	Very high	4 Å²	4	16 Å²	16	2%	0.019	9%	0.092	C	C	.	.			trans	-83.8	57.6	-175.6	-55.7	-68.3	0	0	0	110.8	N327 P423 T425 Y472 E480 W485	N327-H474 PolarHBondContact ND2-CD2 3.39Å; N327-H474 PolarHBondContact ND2-NE2 3.31Å; P423-H474 HydrophobicContact CB-CB 4.15Å; P423-H474 HydrophobicContact CG-CB 4.5Å; P423-H474 WeakPolarHBondContact O-CB 3.38Å; P423-H474 PolarHBondContact O-CD2 3.5Å; P423-H474 PolarHBondContact O-N 2.82Å; T425-H474 PolarHBondContact OG1-NE2 2.89Å; Y472-H474 PolarHBondContact O-CD2 2.7Å; Y472-H474 PolarHBondContact O-NE2 2.71Å; H474-E480 HydrophobicContact CB-CB 4.13Å; H474-E480 HydrophobicContact CB-CG 3.73Å; H474-E480 IonicContact ND1-OE1 2.71Å; H474-W485 WeakPolarHBondContact O-CZ2 3.35Å; H474-W485 PolarHBondContact O-NE1 3.03Å
475	I	98.3	Very high	95.4	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.093	C	C	.	.			trans	-62.7	153.2	-175.9	65	168.1	0	0	0	111.3	V422 V444 C473 G478 W485 G497 D500 L501 P530	V422-I475 HydrophobicContact CG1-CG2 4.38Å; V444-I475 HydrophobicContact CG1-CD1 3.47Å; V444-I475 VanDerWaalsContact CG1-CD1 3.47Å; V444-I475 HydrophobicContact CG1-CG1 4.03Å; C473-I475 HydrophobicContact CB-CG2 4.14Å; C473-I475 PolarHBondContact O-N 3.48Å; I475-G478 PolarHBondContact O-N 2.86Å; I475-W485 PolarHBondContact O-NE1 2.84Å; I475-G497 WeakPolarHBondContact CD1-O 3.31Å; I475-D500 HydrophobicContact CB-CB 3.77Å; I475-D500 HydrophobicContact CG2-CB 3.76Å; I475-L501 HydrophobicContact CG2-CB 4.12Å; I475-P530 HydrophobicContact CD1-CB 3.97Å; I475-P530 HydrophobicContact CD1-CG 3.88Å
476	R	97.9	Very high	95.6	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	150.2	175.3	-73	174.7	-74.9	-174.2	-4.3	111.5	S416 D418 T420 G478 W485 T489 D500	S416-R476 PolarHBondContact OG-NH2 3.4Å; D418-R476 IonicContact OD1-CZ 2.75Å; D418-R476 IonicContact OD1-NH1 3.44Å; D418-R476 IonicContact OD1-NH2 2.71Å; D418-R476 PolarHBondContact OD1-NH2 3.37Å; D418-R476 VanDerWaalsContact OD1-NH2 3.13Å; D418-R476 IonicContact OD2-CZ 2.66Å; D418-R476 IonicContact OD2-NH1 3.32Å; D418-R476 PolarHBondContact OD2-NH1 3.27Å; D418-R476 IonicContact OD2-NH2 2.84Å; D418-R476 PolarHBondContact OD2-NH2 3.24Å; D418-R476 VanDerWaalsContact OD2-NH2 3.09Å; T420-R476 PolarHBondContact OG1-NH1 3.07Å; R476-G478 VanDerWaalsContact C-N 3.3Å; R476-W485 HydrophobicContact CB-CD2 4.44Å; R476-W485 HydrophobicContact CB-CZ2 4.44Å; R476-W485 HydrophobicContact CG-CD2 3.51Å; R476-W485 HydrophobicContact CG-CE3 3.64Å; R476-W485 HydrophobicContact CG-CG 4.24Å; R476-W485 HydrophobicContact CG-CH2 3.57Å; R476-W485 HydrophobicContact CG-CZ2 3.44Å; R476-W485 VanDerWaalsContact CG-CZ2 3.44Å; R476-W485 HydrophobicContact CG-CZ3 3.66Å; R476-T489 HydrophobicContact CB-CG2 3.34Å; R476-T489 HydrophobicContact CG-CG2 4.47Å; R476-T489 PolarHBondContact O-OG1 2.97Å; R476-D500 WeakPolarHBondContact CB-OD2 3.41Å; R476-D500 VanDerWaalsContact CG-OD2 3.25Å; R476-D500 WeakPolarHBondContact CG-OD2 3.16Å; R476-D500 IonicContact CZ-OD1 2.8Å; R476-D500 IonicContact CZ-OD2 3.07Å; R476-D500 PolarHBondContact N-OD2 3.04Å; R476-D500 IonicContact NE-OD1 2.69Å; R476-D500 PolarHBondContact NE-OD1 3.11Å; R476-D500 IonicContact NE-OD2 3.27Å; R476-D500 PolarHBondContact NE-OD2 3.3Å; R476-D500 IonicContact NH2-OD1 3.96Å; R476-D500 PolarHBondContact NH2-OD1 3.3Å; R476-D500 IonicContact NH2-OD2 3.52Å
477	G	95.1	Very high	95.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.4	-25.9	-172.4	0	0	0	0	0	111.7	G446 A447 Y448 G449 W485 H486 T489	G446-G477 VanDerWaalsContact C-C 3.4Å; A447-G477 CarbonylContact C-O 3.5Å; A447-G477 VanDerWaalsContact CA-O 3.29Å; A447-G477 WeakPolarHBondContact CA-O 3.34Å; A447-G477 PolarHBondContact N-O 3.44Å; Y448-G477 PolarHBondContact N-O 3.41Å; G449-G477 WeakPolarHBondContact CA-O 3.12Å; G449-G477 PolarHBondContact N-O 3.29Å; G477-W485 PolarHBondContact N-O 3.28Å; G477-H486 PolarHBondContact O-CD2 3.01Å; G477-H486 VanDerWaalsContact O-CD2 3.28Å; G477-T489 WeakPolarHBondContact CA-OG1 2.71Å; G477-T489 PolarHBondContact N-OG1 3.1Å
478	G	94.8	Very high	95.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-71.8	178.6	160.8	0	0	0	0	0	112	R450 I475 R476 E480 H486	R450-G478 CarbonylContact O-C 3.58Å; R450-G478 WeakPolarHBondContact O-CA 3.47Å; I475-G478 PolarHBondContact O-N 2.86Å; R476-G478 VanDerWaalsContact C-N 3.3Å; G478-E480 VanDerWaalsContact C-OE2 3.32Å; G478-E480 WeakPolarHBondContact CA-OE2 3.31Å; G478-H486 PolarHBondContact O-N 2.9Å
479	G	92.9	Very high	95.6	Very high	5 Å²	5	15.8 Å²	15.8	5%	0.052	8%	0.076	C	C	.	.	S	Bend	trans	-93.7	-6.6	-176.1	0	0	0	0	0	114.5	K309 G449 R450 D451 R481 G482	K309-G479 PolarHBondContact NZ-O 3.48Å; G449-G479 VanDerWaalsContact C-CA 3.45Å; G449-G479 VanDerWaalsContact C-N 3.29Å; G449-G479 WeakPolarHBondContact O-CA 3.4Å; G449-G479 PolarHBondContact O-N 3.16Å; R450-G479 VanDerWaalsContact C-N 3.3Å; R450-G479 PolarHBondContact O-N 3.05Å; D451-G479 WeakPolarHBondContact OD1-CA 3.21Å; G479-R481 PolarHBondContact O-N 2.96Å; G479-G482 PolarHBondContact O-N 2.96Å
480	E	92.3	Very high	95.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.7	-153.1	-67.2	87	172.5	0	0	113.4	K309 D451 L452 H474 G478	K309-E480 PolarHBondContact NZ-O 3.3Å; D451-E480 HydrophobicContact CB-CG 4.49Å; D451-E480 WeakPolarHBondContact OD1-CA 3.24Å; D451-E480 PolarHBondContact OD1-N 3Å; D451-E480 VanDerWaalsContact OD1-N 3.08Å; L452-E480 WeakPolarHBondContact CB-OE1 3.47Å; L452-E480 PolarHBondContact N-OE1 3.44Å; H474-E480 HydrophobicContact CB-CB 4.13Å; H474-E480 HydrophobicContact CB-CG 3.73Å; H474-E480 IonicContact ND1-OE1 2.71Å; G478-E480 VanDerWaalsContact C-OE2 3.32Å; G478-E480 WeakPolarHBondContact CA-OE2 3.31Å
481	R	93.4	Very high	95.1	Very high	67 Å²	67	18.9 Å²	18.9	25%	0.253	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	21.2	177.4	-58.8	-172.7	63.3	-166.3	-5.2	114.7	D305 P423 G479 W485	D305-R481 IonicContact OD1-NH2 2.79Å; D305-R481 PolarHBondContact OD1-NH2 3.12Å; P423-R481 HydrophobicContact CG-CG 4.45Å; G479-R481 PolarHBondContact O-N 2.96Å; R481-W485 HydrophobicContact CB-CB 3.85Å; R481-W485 HydrophobicContact CB-CD2 3.83Å; R481-W485 HydrophobicContact CB-CE3 3.98Å; R481-W485 HydrophobicContact CB-CG 3.79Å; R481-W485 HydrophobicContact CG-CD2 4.09Å; R481-W485 HydrophobicContact CG-CE3 4.26Å; R481-W485 HydrophobicContact CG-CG 4.39Å
482	G	93.1	Very high	94.9	Very high	8 Å²	8	25.2 Å²	25.2	8%	0.082	12%	0.12	C	C	.	.			trans	98.5	-173.1	176.3	0	0	0	0	0	114	E280 G479 S484 W485 H486	E280-G482 WeakPolarHBondContact OE2-CA 3.34Å; G479-G482 PolarHBondContact O-N 2.96Å; G482-S484 VanDerWaalsContact C-N 3.29Å; G482-S484 PolarHBondContact O-N 3.45Å; G482-W485 VanDerWaalsContact O-CB 3.25Å; G482-W485 WeakPolarHBondContact O-CB 3.31Å; G482-W485 PolarHBondContact O-N 2.74Å; G482-W485 VanDerWaalsContact O-N 3.1Å; G482-H486 PolarHBondContact O-N 3.22Å
483	L	93.4	Very high	94.6	Very high	23 Å²	23	25 Å²	25	12%	0.12	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-32.5	-173.9	-65	176.5	0	0	0	112.3	L259 N274 E280 Y281 W485 H486 R487	L259-L483 HydrophobicContact CD1-CD2 4.39Å; N274-L483 HydrophobicContact CB-CD1 3.44Å; N274-L483 VanDerWaalsContact CB-CD1 3.44Å; E280-L483 PolarHBondContact OE1-N 2.66Å; E280-L483 PolarHBondContact OE2-N 3.11Å; Y281-L483 HydrophobicContact CD1-CD1 4.43Å; Y281-L483 HydrophobicContact CD2-CD1 3.89Å; Y281-L483 HydrophobicContact CD2-CD2 4.43Å; Y281-L483 HydrophobicContact CD2-CG 4.02Å; Y281-L483 HydrophobicContact CE1-CD1 4.26Å; Y281-L483 HydrophobicContact CE2-CD1 3.69Å; Y281-L483 HydrophobicContact CE2-CD2 3.69Å; Y281-L483 HydrophobicContact CE2-CG 3.76Å; Y281-L483 HydrophobicContact CG-CD1 4.26Å; L483-W485 VanDerWaalsContact C-N 3.29Å; L483-W485 PolarHBondContact O-N 3.28Å; L483-H486 WeakPolarHBondContact O-CB 2.96Å; L483-H486 PolarHBondContact O-N 2.81Å; L483-R487 WeakPolarHBondContact O-CB 3.33Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 2.98Å
484	S	93.4	Very high	94.4	Very high	43 Å²	43	25.7 Å²	25.7	30%	0.301	12%	0.124	S	C	.	.	H	α-helix	trans	-67.3	-29.1	175.3	60.5	0	0	0	0	112.8	E280 G482 Q488	E280-S484 WeakPolarHBondContact OE1-CA 3.21Å; E280-S484 WeakPolarHBondContact OE1-CB 3.16Å; E280-S484 PolarHBondContact OE1-N 3.47Å; E280-S484 PolarHBondContact OE1-OG 3.39Å; G482-S484 VanDerWaalsContact C-N 3.29Å; G482-S484 PolarHBondContact O-N 3.45Å; S484-Q488 VanDerWaalsContact O-CG 3.27Å; S484-Q488 WeakPolarHBondContact O-CG 3.4Å; S484-Q488 PolarHBondContact O-N 3.47Å; S484-Q488 PolarHBondContact O-NE2 2.92Å; S484-Q488 VanDerWaalsContact O-NE2 3.08Å
485	W	95.4	Very high	94.2	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-40.4	174.8	-163.9	-114	0	0	0	111.4	T420 V422 H474 I475 R476 G477 R481 G482 L483	T420-W485 HydrophobicContact CG2-CH2 3.53Å; T420-W485 HydrophobicContact CG2-CZ3 3.46Å; T420-W485 VanDerWaalsContact CG2-CZ3 3.46Å; V422-W485 HydrophobicContact CG1-CZ2 4.34Å; V422-W485 HydrophobicContact CG2-CH2 4.37Å; H474-W485 WeakPolarHBondContact O-CZ2 3.35Å; H474-W485 PolarHBondContact O-NE1 3.03Å; I475-W485 PolarHBondContact O-NE1 2.84Å; R476-W485 HydrophobicContact CB-CD2 4.44Å; R476-W485 HydrophobicContact CB-CZ2 4.44Å; R476-W485 HydrophobicContact CG-CD2 3.51Å; R476-W485 HydrophobicContact CG-CE3 3.64Å; R476-W485 HydrophobicContact CG-CG 4.24Å; R476-W485 HydrophobicContact CG-CH2 3.57Å; R476-W485 HydrophobicContact CG-CZ2 3.44Å; R476-W485 VanDerWaalsContact CG-CZ2 3.44Å; R476-W485 HydrophobicContact CG-CZ3 3.66Å; G477-W485 PolarHBondContact N-O 3.28Å; R481-W485 HydrophobicContact CB-CB 3.85Å; R481-W485 HydrophobicContact CB-CD2 3.83Å; R481-W485 HydrophobicContact CB-CE3 3.98Å; R481-W485 HydrophobicContact CB-CG 3.79Å; R481-W485 HydrophobicContact CG-CD2 4.09Å; R481-W485 HydrophobicContact CG-CE3 4.26Å; R481-W485 HydrophobicContact CG-CG 4.39Å; G482-W485 VanDerWaalsContact O-CB 3.25Å; G482-W485 WeakPolarHBondContact O-CB 3.31Å; G482-W485 PolarHBondContact O-N 2.74Å; G482-W485 VanDerWaalsContact O-N 3.1Å; L483-W485 VanDerWaalsContact C-N 3.29Å; L483-W485 PolarHBondContact O-N 3.28Å
486	H	94.8	Very high	94.1	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.069	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-53.3	173.2	172.9	-143.8	0	0	0	112	Y448 G449 G477 G478 G482 L483 Q488 T489 R490 E572	Y448-H486 WeakPolarHBondContact CA-NE2 3.41Å; G449-H486 VanDerWaalsContact CA-CG 3.42Å; G449-H486 PolarHBondContact N-CD2 3.29Å; G449-H486 PolarHBondContact N-NE2 2.83Å; G477-H486 PolarHBondContact O-CD2 3.01Å; G477-H486 VanDerWaalsContact O-CD2 3.28Å; G478-H486 PolarHBondContact O-N 2.9Å; G482-H486 PolarHBondContact O-N 3.22Å; L483-H486 WeakPolarHBondContact O-CB 2.96Å; L483-H486 PolarHBondContact O-N 2.81Å; H486-Q488 PolarHBondContact O-N 3.15Å; H486-Q488 VanDerWaalsContact O-N 3.12Å; H486-T489 PolarHBondContact O-N 2.69Å; H486-R490 VanDerWaalsContact CE1-CD 3.47Å; H486-R490 WeakPolarHBondContact CE1-CD 3.38Å; H486-R490 WeakPolarHBondContact NE2-CD 3.48Å; H486-R490 WeakPolarHBondContact NE2-CG 3.34Å; H486-R490 PolarHBondContact O-N 3.05Å; H486-E572 IonicContact CD2-OE2 2.93Å; H486-E572 IonicContact CE1-OE2 3.48Å; H486-E572 IonicContact NE2-OE1 3.55Å; H486-E572 IonicContact NE2-OE2 2.99Å; H486-E572 PolarHBondContact NE2-OE2 3.15Å
487	R	93.9	Very high	94	Very high	70 Å²	70	36.8 Å²	36.8	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-54.9	-34.9	-175.9	-77.6	-172.6	-65.9	-106.9	-6	113.4	G278 Q279 E280 L483 T489 R490	G278-R487 PolarHBondContact O-NH2 3.47Å; Q279-R487 PolarHBondContact O-NH1 3.31Å; Q279-R487 PolarHBondContact O-NH2 3.02Å; E280-R487 IonicContact OE1-NH2 3.5Å; L483-R487 WeakPolarHBondContact O-CB 3.33Å; L483-R487 WeakPolarHBondContact O-CG 3.3Å; L483-R487 PolarHBondContact O-N 2.98Å; R487-T489 PolarHBondContact O-N 2.8Å; R487-T489 VanDerWaalsContact O-N 3.12Å; R487-R490 PolarHBondContact O-N 3.03Å
488	Q	95	Very high	94.2	Very high	73 Å²	73	36.9 Å²	36.9	34%	0.341	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.7	-179.7	-80	174.4	62.9	0	0	114.8	S484 H486 G493 R496	S484-Q488 VanDerWaalsContact O-CG 3.27Å; S484-Q488 WeakPolarHBondContact O-CG 3.4Å; S484-Q488 PolarHBondContact O-N 3.47Å; S484-Q488 PolarHBondContact O-NE2 2.92Å; S484-Q488 VanDerWaalsContact O-NE2 3.08Å; H486-Q488 PolarHBondContact O-N 3.15Å; H486-Q488 VanDerWaalsContact O-N 3.12Å; Q488-G493 WeakPolarHBondContact O-CA 3.39Å; Q488-R496 PolarHBondContact O-NE 3.45Å
489	T	94.1	Very high	94.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	27.3	-179.9	60.3	0	0	0	0	113.6	R476 G477 H486 R487 G493 K494 R496	R476-T489 HydrophobicContact CB-CG2 3.34Å; R476-T489 HydrophobicContact CG-CG2 4.47Å; R476-T489 PolarHBondContact O-OG1 2.97Å; G477-T489 WeakPolarHBondContact CA-OG1 2.71Å; G477-T489 PolarHBondContact N-OG1 3.1Å; H486-T489 PolarHBondContact O-N 2.69Å; R487-T489 PolarHBondContact O-N 2.8Å; R487-T489 VanDerWaalsContact O-N 3.12Å; T489-G493 WeakPolarHBondContact CG2-O 3.35Å; T489-K494 WeakPolarHBondContact O-CD 3.27Å; T489-K494 WeakPolarHBondContact O-CE 3.45Å; T489-K494 WeakPolarHBondContact O-CG 3.45Å; T489-R496 HydrophobicContact CG2-CB 3.8Å; T489-R496 HydrophobicContact CG2-CG 4.46Å
490	R	93	Very high	94.6	Very high	43 Å²	43	38 Å²	38	16%	0.162	17%	0.171	C	C	.	.	S	Bend	trans	-83.8	150.5	160.9	-68.6	172.9	64.9	-169.5	-11.5	109.6	H486 R487 E492 G493 D571	H486-R490 VanDerWaalsContact CE1-CD 3.47Å; H486-R490 WeakPolarHBondContact CE1-CD 3.38Å; H486-R490 WeakPolarHBondContact NE2-CD 3.48Å; H486-R490 WeakPolarHBondContact NE2-CG 3.34Å; H486-R490 PolarHBondContact O-N 3.05Å; R487-R490 PolarHBondContact O-N 3.03Å; R490-E492 PolarHBondContact O-N 2.66Å; R490-G493 PolarHBondContact O-N 2.84Å; R490-D571 PolarHBondContact NE-O 3.05Å; R490-D571 PolarHBondContact NH2-O 3.05Å
491	V	93.6	Very high	94.9	Very high	22 Å²	22	37.8 Å²	37.8	13%	0.133	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	46.5	-104.3	171.4	-168.2	0	0	0	0	111.6	G493 K494 E572 H582 I585	V491-G493 PolarHBondContact O-N 3.08Å; V491-K494 WeakPolarHBondContact O-CB 3.45Å; V491-K494 WeakPolarHBondContact O-CG 3.32Å; V491-K494 PolarHBondContact O-N 2.81Å; V491-E572 PolarHBondContact N-O 3.46Å; V491-H582 VanDerWaalsContact CG1-CD2 3.48Å; V491-H582 WeakPolarHBondContact CG1-CD2 3.32Å; V491-H582 WeakPolarHBondContact CG1-NE2 3.45Å; V491-I585 WeakPolarHBondContact O-CG2 3.47Å
492	E	93.2	Very high	95.2	Very high	134 Å²	134	36.5 Å²	36.5	63%	0.626	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-60.8	-28.8	-177.8	-50.8	-171.3	151	0	0	113.9	R490 I585	R490-E492 PolarHBondContact O-N 2.66Å; E492-I585 HydrophobicContact CB-CD1 4.15Å; E492-I585 HydrophobicContact CG-CD1 3.84Å
493	G	93.3	Very high	95.4	Very high	6 Å²	6	36.4 Å²	36.4	6%	0.062	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-87	-4.3	-176.9	0	0	0	0	0	115.1	Q488 T489 R490 V491 R495 R496	Q488-G493 WeakPolarHBondContact O-CA 3.39Å; T489-G493 WeakPolarHBondContact CG2-O 3.35Å; R490-G493 PolarHBondContact O-N 2.84Å; V491-G493 PolarHBondContact O-N 3.08Å; G493-R495 PolarHBondContact O-N 3.3Å; G493-R496 WeakPolarHBondContact O-CG 3.46Å; G493-R496 PolarHBondContact O-N 3.14Å
494	K	93.5	Very high	95.7	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.065	16%	0.16	C	C	.	.	H	α-helix	trans	-54.5	-30.8	-169	-85.1	-76.6	172.8	178.2	0	114.6	T489 V491 R496 G497 E572 W573 Y589	T489-K494 WeakPolarHBondContact O-CD 3.27Å; T489-K494 WeakPolarHBondContact O-CE 3.45Å; T489-K494 WeakPolarHBondContact O-CG 3.45Å; V491-K494 WeakPolarHBondContact O-CB 3.45Å; V491-K494 WeakPolarHBondContact O-CG 3.32Å; V491-K494 PolarHBondContact O-N 2.81Å; K494-R496 VanDerWaalsContact C-N 3.28Å; K494-R496 PolarHBondContact O-N 3.23Å; K494-G497 PolarHBondContact O-N 3.46Å; K494-E572 WeakPolarHBondContact CE-O 3.37Å; K494-E572 WeakPolarHBondContact CE-OE1 3.42Å; K494-E572 IonicContact NZ-OE1 3.69Å; K494-E572 PolarHBondContact NZ-OE1 3.02Å; K494-W573 HydrophobicContact CD-CE3 3.63Å; K494-W573 HydrophobicContact CD-CZ3 3.64Å; K494-W573 HydrophobicContact CG-CE3 4.3Å; K494-Y589 HydrophobicContact CB-CD1 4.01Å; K494-Y589 HydrophobicContact CB-CE1 3.43Å; K494-Y589 VanDerWaalsContact CB-CE1 3.43Å; K494-Y589 HydrophobicContact CB-CE2 4.25Å; K494-Y589 HydrophobicContact CG-CE1 4.16Å
495	R	93.4	Very high	95.9	Very high	129 Å²	129	33.3 Å²	33.3	49%	0.487	15%	0.146	S	C	.	.	H	α-helix	trans	-58.4	-35.4	176.1	-165.9	-174.5	164.1	134.9	3.1	113.2	G493 G497 V498 E499 W537	G493-R495 PolarHBondContact O-N 3.3Å; R495-G497 VanDerWaalsContact C-N 3.26Å; R495-G497 PolarHBondContact O-N 2.95Å; R495-V498 WeakPolarHBondContact O-CB 3.43Å; R495-V498 PolarHBondContact O-N 3.13Å; R495-V498 VanDerWaalsContact O-N 3.11Å; R495-E499 IonicContact NE-OE1 3.71Å; R495-E499 PolarHBondContact NE-OE1 2.88Å; R495-E499 VanDerWaalsContact NE-OE1 3.13Å; R495-E499 PolarHBondContact O-N 3.44Å; R495-W537 HydrophobicContact CG-CH2 3.37Å; R495-W537 HydrophobicContact CG-CZ2 3.97Å; R495-W537 HydrophobicContact CG-CZ3 4.34Å
496	R	96.4	Very high	96.1	Very high	104 Å²	104	37.7 Å²	37.7	39%	0.392	17%	0.167	S	C	.	.	H	α-helix	trans	-66.9	-26.9	-175.7	-43.9	173.5	-159.9	-109.5	-3.4	112.5	D418 Q488 T489 G493 K494 V498 E499 D500	D418-R496 IonicContact OD2-NH1 3.1Å; D418-R496 PolarHBondContact OD2-NH1 3.47Å; Q488-R496 PolarHBondContact O-NE 3.45Å; T489-R496 HydrophobicContact CG2-CB 3.8Å; T489-R496 HydrophobicContact CG2-CG 4.46Å; G493-R496 WeakPolarHBondContact O-CG 3.46Å; G493-R496 PolarHBondContact O-N 3.14Å; K494-R496 VanDerWaalsContact C-N 3.28Å; K494-R496 PolarHBondContact O-N 3.23Å; R496-V498 PolarHBondContact O-N 2.8Å; R496-E499 PolarHBondContact O-N 3.02Å; R496-E499 VanDerWaalsContact O-N 3.15Å; R496-D500 WeakPolarHBondContact O-CB 3.15Å; R496-D500 PolarHBondContact O-N 3.33Å
497	G	96.7	Very high	96.3	Very high	5 Å²	5	40.2 Å²	40.2	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-33.3	174.9	0	0	0	0	0	112.4	I475 K494 R495 L501	I475-G497 WeakPolarHBondContact CD1-O 3.31Å; K494-G497 PolarHBondContact O-N 3.46Å; R495-G497 VanDerWaalsContact C-N 3.26Å; R495-G497 PolarHBondContact O-N 2.95Å; G497-L501 PolarHBondContact O-N 2.85Å; G497-L501 VanDerWaalsContact O-N 3.11Å
498	V	97.9	Very high	96.5	Very high	2 Å²	2	37 Å²	37	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-73.6	-39.5	175.1	-166.9	0	0	0	0	111.1	R495 R496 L501 Q502 P530 A533 L534 W537	R495-V498 WeakPolarHBondContact O-CB 3.43Å; R495-V498 PolarHBondContact O-N 3.13Å; R495-V498 VanDerWaalsContact O-N 3.11Å; R496-V498 PolarHBondContact O-N 2.8Å; V498-L501 PolarHBondContact O-N 3.39Å; V498-Q502 PolarHBondContact O-N 2.84Å; V498-P530 HydrophobicContact CG2-CB 4.34Å; V498-A533 HydrophobicContact CG1-CB 4.19Å; V498-A533 HydrophobicContact CG2-CB 3.79Å; V498-L534 HydrophobicContact CG1-CB 3.92Å; V498-L534 HydrophobicContact CG1-CD1 4.26Å; V498-W537 HydrophobicContact CB-CE3 4.08Å; V498-W537 HydrophobicContact CB-CH2 3.46Å; V498-W537 VanDerWaalsContact CB-CH2 3.46Å; V498-W537 HydrophobicContact CB-CZ2 4.3Å; V498-W537 HydrophobicContact CB-CZ3 3.38Å; V498-W537 HydrophobicContact CG1-CD2 3.98Å; V498-W537 HydrophobicContact CG1-CE3 3.43Å; V498-W537 VanDerWaalsContact CG1-CE3 3.43Å; V498-W537 HydrophobicContact CG1-CH2 3.69Å; V498-W537 HydrophobicContact CG1-CZ2 4.26Å; V498-W537 HydrophobicContact CG1-CZ3 3.29Å; V498-W537 HydrophobicContact CG2-CH2 3.78Å; V498-W537 HydrophobicContact CG2-CZ2 4.26Å; V498-W537 HydrophobicContact CG2-CZ3 4.21Å
499	E	98.3	Very high	96.6	Very high	28 Å²	28	36 Å²	36	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-41	176.1	-64.5	166	-178.3	0	0	111.2	R495 R496 Q502 A503 W537	R495-E499 IonicContact NE-OE1 3.71Å; R495-E499 PolarHBondContact NE-OE1 2.88Å; R495-E499 VanDerWaalsContact NE-OE1 3.13Å; R495-E499 PolarHBondContact O-N 3.44Å; R496-E499 PolarHBondContact O-N 3.02Å; R496-E499 VanDerWaalsContact O-N 3.15Å; E499-Q502 WeakPolarHBondContact O-CB 3.19Å; E499-Q502 PolarHBondContact O-N 2.92Å; E499-A503 WeakPolarHBondContact O-CB 3.1Å; E499-A503 PolarHBondContact O-N 3.06Å; E499-W537 HydrophobicContact CG-CZ3 4.16Å
500	D	98.7	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-44.4	173.7	-72.9	-1.5	0	0	0	111.6	S416 V422 I475 R476 R496 A503 C504	S416-D500 WeakPolarHBondContact CB-OD1 3.43Å; S416-D500 PolarHBondContact OG-OD1 3.34Å; V422-D500 HydrophobicContact CG1-CB 4.33Å; V422-D500 HydrophobicContact CG2-CB 3.78Å; V422-D500 VanDerWaalsContact CG2-CG 3.48Å; I475-D500 HydrophobicContact CB-CB 3.77Å; I475-D500 HydrophobicContact CG2-CB 3.76Å; R476-D500 WeakPolarHBondContact CB-OD2 3.41Å; R476-D500 VanDerWaalsContact CG-OD2 3.25Å; R476-D500 WeakPolarHBondContact CG-OD2 3.16Å; R476-D500 IonicContact CZ-OD1 2.8Å; R476-D500 IonicContact CZ-OD2 3.07Å; R476-D500 PolarHBondContact N-OD2 3.04Å; R476-D500 IonicContact NE-OD1 2.69Å; R476-D500 PolarHBondContact NE-OD1 3.11Å; R476-D500 IonicContact NE-OD2 3.27Å; R476-D500 PolarHBondContact NE-OD2 3.3Å; R476-D500 IonicContact NH2-OD1 3.96Å; R476-D500 PolarHBondContact NH2-OD1 3.3Å; R476-D500 IonicContact NH2-OD2 3.52Å; R496-D500 WeakPolarHBondContact O-CB 3.15Å; R496-D500 PolarHBondContact O-N 3.33Å; D500-A503 PolarHBondContact O-N 2.81Å; D500-C504 PolarHBondContact O-N 3Å; D500-C504 PolarHBondContact O-SG 3.2Å
501	L	98.7	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-43.4	176.4	179.6	56.6	0	0	0	111.4	V444 C473 I475 G497 V498 A503 C504 L505 L521 V531 L534	V444-L501 HydrophobicContact CB-CD1 4.48Å; V444-L501 HydrophobicContact CG1-CD1 4.24Å; V444-L501 HydrophobicContact CG1-CD2 4.31Å; V444-L501 HydrophobicContact CG2-CD1 3.38Å; V444-L501 HydrophobicContact CG2-CD2 4.19Å; V444-L501 HydrophobicContact CG2-CG 4.41Å; C473-L501 HydrophobicContact CB-CD1 4.27Å; I475-L501 HydrophobicContact CG2-CB 4.12Å; G497-L501 PolarHBondContact O-N 2.85Å; G497-L501 VanDerWaalsContact O-N 3.11Å; V498-L501 PolarHBondContact O-N 3.39Å; L501-A503 VanDerWaalsContact C-N 3.31Å; L501-A503 PolarHBondContact O-N 3.35Å; L501-C504 WeakPolarHBondContact O-CB 3.26Å; L501-C504 PolarHBondContact O-N 3.26Å; L501-L505 PolarHBondContact O-N 2.83Å; L501-L505 VanDerWaalsContact O-N 3.11Å; L501-L521 HydrophobicContact CD1-CD2 4.38Å; L501-L521 HydrophobicContact CD2-CD2 3.95Å; L501-L521 HydrophobicContact CG-CD2 4.47Å; L501-V531 HydrophobicContact CD2-CG2 4.04Å; L501-L534 HydrophobicContact CB-CD2 4.44Å; L501-L534 HydrophobicContact CD2-CB 4.31Å; L501-L534 HydrophobicContact CD2-CD2 3.7Å; L501-L534 HydrophobicContact CG-CD2 3.7Å
502	Q	98.6	Very high	97.1	Very high	40 Å²	40	40.3 Å²	40.3	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-46	175.5	-167.7	-170	-57.7	0	0	111.1	V498 E499 C504 L505 Q506 L534 M541	V498-Q502 PolarHBondContact O-N 2.84Å; E499-Q502 WeakPolarHBondContact O-CB 3.19Å; E499-Q502 PolarHBondContact O-N 2.92Å; Q502-C504 PolarHBondContact O-N 3.06Å; Q502-L505 PolarHBondContact O-N 3.37Å; Q502-Q506 WeakPolarHBondContact O-CG 3.25Å; Q502-Q506 PolarHBondContact O-N 3.36Å; Q502-L534 HydrophobicContact CB-CD1 4.02Å; Q502-L534 HydrophobicContact CG-CD1 4.22Å; Q502-M541 HydrophobicContact CG-CE 3.76Å; Q502-M541 HydrophobicContact CG-SD 3.63Å
503	A	98.8	Very high	97.3	Very high	7 Å²	7	33.9 Å²	33.9	6%	0.058	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-40.3	177.8	0	0	0	0	0	112.3	A414 C415 E499 D500 L501 Q506 K507	A414-A503 HydrophobicContact CB-CB 4.33Å; C415-A503 WeakPolarHBondContact O-CB 3.21Å; E499-A503 WeakPolarHBondContact O-CB 3.1Å; E499-A503 PolarHBondContact O-N 3.06Å; D500-A503 PolarHBondContact O-N 2.81Å; L501-A503 VanDerWaalsContact C-N 3.31Å; L501-A503 PolarHBondContact O-N 3.35Å; A503-Q506 PolarHBondContact O-N 3.41Å; A503-K507 WeakPolarHBondContact O-CB 3.45Å; A503-K507 PolarHBondContact O-N 3.41Å
504	C	98.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-47.9	175.8	-67.7	0	0	0	0	112.1	A414 V422 V424 C473 D500 L501 Q502 Q506 K507 L508	A414-C504 HydrophobicContact CB-CB 4.49Å; V422-C504 VanDerWaalsContact CG1-SG 3.54Å; V424-C504 HydrophobicContact CG2-CB 3.82Å; V424-C504 WeakPolarHBondContact CG2-SG 3.46Å; C473-C504 HydrophobicContact CB-CB 3.97Å; C473-C504 WeakPolarHBondContact SG-CB 3.31Å; D500-C504 PolarHBondContact O-N 3Å; D500-C504 PolarHBondContact O-SG 3.2Å; L501-C504 WeakPolarHBondContact O-CB 3.26Å; L501-C504 PolarHBondContact O-N 3.26Å; Q502-C504 PolarHBondContact O-N 3.06Å; C504-Q506 PolarHBondContact O-N 2.81Å; C504-K507 PolarHBondContact O-N 2.56Å; C504-L508 WeakPolarHBondContact O-CG 3.42Å; C504-L508 PolarHBondContact O-N 3.5Å
505	L	98.8	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-44.6	177.4	-67.5	-180	0	0	0	111.8	V442 L501 Q502 K507 L508 F509 T519 L521 L534 M541 M542	V442-L505 HydrophobicContact CB-CD2 4.41Å; V442-L505 HydrophobicContact CG1-CD2 4.19Å; V442-L505 HydrophobicContact CG2-CD2 3.78Å; L501-L505 PolarHBondContact O-N 2.83Å; L501-L505 VanDerWaalsContact O-N 3.11Å; Q502-L505 PolarHBondContact O-N 3.37Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 2.93Å; L505-L508 PolarHBondContact O-N 2.75Å; L505-F509 HydrophobicContact CB-CE2 4.14Å; L505-F509 HydrophobicContact CB-CZ 4.38Å; L505-F509 VanDerWaalsContact O-CD2 3.27Å; L505-F509 WeakPolarHBondContact O-CD2 3.07Å; L505-F509 VanDerWaalsContact O-CG 3.27Å; L505-F509 WeakPolarHBondContact O-CG 3.42Å; L505-F509 PolarHBondContact O-N 2.85Å; L505-T519 HydrophobicContact CD2-CG2 4.28Å; L505-L521 HydrophobicContact CD1-CD1 4.33Å; L505-L521 HydrophobicContact CD1-CD2 4.43Å; L505-L521 HydrophobicContact CD2-CD1 4.14Å; L505-L534 HydrophobicContact CD1-CD2 3.74Å; L505-M541 HydrophobicContact CB-CE 3.64Å; L505-M541 HydrophobicContact CD1-CB 4.15Å; L505-M541 HydrophobicContact CD1-CE 4.05Å; L505-M541 HydrophobicContact CG-CE 4.49Å; L505-M542 HydrophobicContact CD1-CE 4.25Å
506	Q	98.5	Very high	97.9	Very high	98 Å²	98	30.3 Å²	30.3	46%	0.458	17%	0.17	S	C	.	.	H	α-helix	trans	-60.5	-40.1	175.8	-71.9	176.5	-14.7	0	0	111.9	Q502 A503 C504 S510 M541	Q502-Q506 WeakPolarHBondContact O-CG 3.25Å; Q502-Q506 PolarHBondContact O-N 3.36Å; A503-Q506 PolarHBondContact O-N 3.41Å; C504-Q506 PolarHBondContact O-N 2.81Å; Q506-S510 VanDerWaalsContact O-CB 3.29Å; Q506-S510 WeakPolarHBondContact O-CB 3.36Å; Q506-S510 PolarHBondContact O-N 2.9Å; Q506-S510 PolarHBondContact O-OG 3.27Å; Q506-M541 HydrophobicContact CG-CE 3.87Å
507	K	98.6	Very high	97.9	Very high	68 Å²	68	29 Å²	29	30%	0.296	18%	0.177	S	C	.	.	H	α-helix	trans	-65.1	-41.1	177.1	179.7	56	-178.7	150.8	0	111.9	K413 A414 A503 C504 L505 S510 S511	K413-K507 WeakPolarHBondContact O-CE 2.83Å; A414-K507 HydrophobicContact CB-CB 3.62Å; A414-K507 HydrophobicContact CB-CG 4.05Å; A503-K507 WeakPolarHBondContact O-CB 3.45Å; A503-K507 PolarHBondContact O-N 3.41Å; C504-K507 PolarHBondContact O-N 2.56Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 2.93Å; K507-S510 WeakPolarHBondContact CA-OG 3.17Å; K507-S510 PolarHBondContact O-OG 3.14Å; K507-S511 WeakPolarHBondContact CE-OG 3.3Å; K507-S511 PolarHBondContact NZ-OG 2.72Å; K507-S511 VanDerWaalsContact O-CB 3.3Å; K507-S511 WeakPolarHBondContact O-CB 3.5Å; K507-S511 PolarHBondContact O-N 3.42Å; K507-S511 VanDerWaalsContact O-N 3.09Å; K507-S511 PolarHBondContact O-OG 3.3Å
508	L	98.6	Very high	97.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-53.4	176.6	-71.3	162	0	0	0	110.6	L412 V424 L426 L440 V442 A471 C504 L505 S510 S511 G512 V513	L412-L508 HydrophobicContact CD1-CD2 4Å; V424-L508 HydrophobicContact CG1-CD1 4.45Å; V424-L508 HydrophobicContact CG1-CD2 4.16Å; V424-L508 HydrophobicContact CG1-CG 4.48Å; L426-L508 HydrophobicContact CD1-CD2 4.08Å; L440-L508 HydrophobicContact CD2-CB 4.41Å; L440-L508 HydrophobicContact CD2-CD1 4.16Å; V442-L508 HydrophobicContact CG2-CD1 4.38Å; A471-L508 HydrophobicContact CB-CD1 3.64Å; A471-L508 HydrophobicContact CB-CD2 4.01Å; C504-L508 WeakPolarHBondContact O-CG 3.42Å; C504-L508 PolarHBondContact O-N 3.5Å; L505-L508 PolarHBondContact O-N 2.75Å; L508-S510 PolarHBondContact O-N 2.98Å; L508-S511 PolarHBondContact O-N 2.93Å; L508-S511 VanDerWaalsContact O-N 3.09Å; L508-G512 PolarHBondContact O-N 3.28Å; L508-V513 CarbonylContact C-O 3.46Å; L508-V513 HydrophobicContact CB-CB 4.3Å; L508-V513 HydrophobicContact CD2-CB 4.3Å; L508-V513 HydrophobicContact CD2-CG1 4.18Å; L508-V513 WeakPolarHBondContact O-CB 3.23Å; L508-V513 PolarHBondContact O-N 2.96Å
509	F	98.1	Very high	98	Very high	53 Å²	53	29.9 Å²	29.9	23%	0.232	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-44.4	-179.3	-55.9	-28.1	0	0	0	112.8	L440 L505 S511 G512 V513 A516 T519	L440-F509 HydrophobicContact CD2-CE1 4.31Å; L505-F509 HydrophobicContact CB-CE2 4.14Å; L505-F509 HydrophobicContact CB-CZ 4.38Å; L505-F509 VanDerWaalsContact O-CD2 3.27Å; L505-F509 WeakPolarHBondContact O-CD2 3.07Å; L505-F509 VanDerWaalsContact O-CG 3.27Å; L505-F509 WeakPolarHBondContact O-CG 3.42Å; L505-F509 PolarHBondContact O-N 2.85Å; F509-S511 PolarHBondContact O-N 3.44Å; F509-G512 PolarHBondContact O-N 2.82Å; F509-G512 VanDerWaalsContact O-N 3.08Å; F509-V513 WeakPolarHBondContact CD1-O 3.47Å; F509-A516 HydrophobicContact CE2-CB 4.32Å; F509-A516 HydrophobicContact CZ-CB 4.38Å; F509-T519 HydrophobicContact CE1-CG2 4.39Å; F509-T519 VanDerWaalsContact CE1-OG1 3.25Å; F509-T519 WeakPolarHBondContact CE1-OG1 3.47Å; F509-T519 HydrophobicContact CZ-CG2 4.23Å
510	S	97.2	Very high	98	Very high	92 Å²	92	28.6 Å²	28.6	64%	0.643	17%	0.174	S	C	*	.	H	α-helix	trans	-68	-19	178	58.1	0	0	0	0	113.7	Q506 K507 L508 G512	Q506-S510 VanDerWaalsContact O-CB 3.29Å; Q506-S510 WeakPolarHBondContact O-CB 3.36Å; Q506-S510 PolarHBondContact O-N 2.9Å; Q506-S510 PolarHBondContact O-OG 3.27Å; K507-S510 WeakPolarHBondContact CA-OG 3.17Å; K507-S510 PolarHBondContact O-OG 3.14Å; L508-S510 PolarHBondContact O-N 2.98Å; S510-G512 VanDerWaalsContact C-N 3.29Å
511	S	96.9	Very high	98	Very high	33 Å²	33	28.6 Å²	28.6	23%	0.231	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	10.5	174.4	-49.9	0	0	0	0	112.4	K507 L508 F509 V513	K507-S511 WeakPolarHBondContact CE-OG 3.3Å; K507-S511 PolarHBondContact NZ-OG 2.72Å; K507-S511 VanDerWaalsContact O-CB 3.3Å; K507-S511 WeakPolarHBondContact O-CB 3.5Å; K507-S511 PolarHBondContact O-N 3.42Å; K507-S511 VanDerWaalsContact O-N 3.09Å; K507-S511 PolarHBondContact O-OG 3.3Å; L508-S511 PolarHBondContact O-N 2.93Å; L508-S511 VanDerWaalsContact O-N 3.09Å; F509-S511 PolarHBondContact O-N 3.44Å; S511-V513 VanDerWaalsContact C-N 3.34Å
512	G	96.6	Very high	97.9	Very high	31 Å²	31	29.2 Å²	29.2	32%	0.32	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	10.2	179.9	0	0	0	0	0	114.4	L435 S436 L508 F509 S510 S514	L435-G512 CarbonylContact C-O 3.4Å; S436-G512 WeakPolarHBondContact CA-O 3.45Å; S436-G512 PolarHBondContact N-O 3.04Å; S436-G512 VanDerWaalsContact N-O 3.13Å; L508-G512 PolarHBondContact O-N 3.28Å; F509-G512 PolarHBondContact O-N 2.82Å; F509-G512 VanDerWaalsContact O-N 3.08Å; S510-G512 VanDerWaalsContact C-N 3.29Å; G512-S514 PolarHBondContact O-N 3.32Å
513	V	97.8	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.173	C	C	.	.			trans	-92.3	104.3	-179.3	-174.4	0	0	0	0	109.7	L426 V432 L435 L440 A469 L508 F509 S511	L426-V513 HydrophobicContact CD1-CG1 3.91Å; L426-V513 HydrophobicContact CD2-CG1 4.2Å; L426-V513 HydrophobicContact CD2-CG2 3.72Å; V432-V513 HydrophobicContact CG1-CG2 3.85Å; L435-V513 HydrophobicContact CB-CG1 4.37Å; L435-V513 HydrophobicContact CD1-CG1 4.24Å; L435-V513 HydrophobicContact CD1-CG2 4.3Å; L440-V513 HydrophobicContact CD1-CG1 4.32Å; L440-V513 HydrophobicContact CD2-CG1 4.43Å; A469-V513 HydrophobicContact CB-CG1 4.44Å; L508-V513 CarbonylContact C-O 3.46Å; L508-V513 HydrophobicContact CB-CB 4.3Å; L508-V513 HydrophobicContact CD2-CB 4.3Å; L508-V513 HydrophobicContact CD2-CG1 4.18Å; L508-V513 WeakPolarHBondContact O-CB 3.23Å; L508-V513 PolarHBondContact O-N 2.96Å; F509-V513 WeakPolarHBondContact CD1-O 3.47Å; S511-V513 VanDerWaalsContact C-N 3.34Å
514	S	97.8	Very high	97.5	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.063	19%	0.187	C	C	.	.			trans	55.9	-166.1	176.9	-159.8	0	0	0	0	114.3	L435 A438 L440 G512 L518	L435-S514 WeakPolarHBondContact O-CA 3.44Å; L435-S514 PolarHBondContact O-N 3.02Å; A438-S514 WeakPolarHBondContact O-CB 3.48Å; A438-S514 PolarHBondContact O-OG 3.21Å; L440-S514 VanDerWaalsContact CB-CB 3.48Å; L440-S514 WeakPolarHBondContact CB-OG 3.17Å; G512-S514 PolarHBondContact O-N 3.32Å; S514-L518 WeakPolarHBondContact OG-CB 3.45Å
515	S	97.3	Very high	97.3	Very high	35 Å²	35	30.1 Å²	30.1	25%	0.245	19%	0.189	C	C	.	.			trans	-146.9	164.3	176.5	62.1	0	0	0	0	110.6	S517 L518 T519	S515-S517 PolarHBondContact O-N 3.12Å; S515-S517 VanDerWaalsContact O-N 3.13Å; S515-S517 PolarHBondContact OG-OG 3.15Å; S515-S517 VanDerWaalsContact OG-OG 3.14Å; S515-L518 CarbonylContact O-C 3.51Å; S515-L518 PolarHBondContact O-N 3.38Å; S515-T519 WeakPolarHBondContact O-CB 3.14Å; S515-T519 PolarHBondContact O-N 3.14Å; S515-T519 VanDerWaalsContact O-N 3.09Å; S515-T519 PolarHBondContact O-OG1 2.91Å
516	A	96.7	Very high	97.1	Very high	30 Å²	30	30.1 Å²	30.1	25%	0.248	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.1	-34.1	-179.7	0	0	0	0	0	113.4	F509 L518 T519 N540 M542 R543	F509-A516 HydrophobicContact CE2-CB 4.32Å; F509-A516 HydrophobicContact CZ-CB 4.38Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 3.29Å; A516-T519 PolarHBondContact O-N 3.15Å; A516-N540 WeakPolarHBondContact CB-O 3.04Å; A516-M542 CarbonylContact O-C 3.57Å; A516-R543 PolarHBondContact O-N 3.29Å
517	S	96.2	Very high	97	Very high	76 Å²	76	25.5 Å²	25.5	53%	0.531	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-71.7	-20.3	178.2	49.7	0	0	0	0	114.2	S515 R543	S515-S517 PolarHBondContact O-N 3.12Å; S515-S517 VanDerWaalsContact O-N 3.13Å; S515-S517 PolarHBondContact OG-OG 3.15Å; S515-S517 VanDerWaalsContact OG-OG 3.14Å; S517-R543 WeakPolarHBondContact O-CB 3.08Å; S517-R543 WeakPolarHBondContact O-CG 3.41Å
518	L	97.6	Very high	97	Very high	27 Å²	27	22.2 Å²	22.2	14%	0.141	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-110.1	7.9	179.6	-67.9	176.3	0	0	0	112.6	Q437 P439 L440 S514 S515 A516 L685	Q437-L518 WeakPolarHBondContact O-CD1 3.32Å; P439-L518 WeakPolarHBondContact CA-O 3.22Å; L440-L518 PolarHBondContact N-O 3.39Å; S514-L518 WeakPolarHBondContact OG-CB 3.45Å; S515-L518 CarbonylContact O-C 3.51Å; S515-L518 PolarHBondContact O-N 3.38Å; A516-L518 VanDerWaalsContact C-N 3.29Å; A516-L518 PolarHBondContact O-N 3.29Å; L518-L685 HydrophobicContact CD2-CD2 4.46Å
519	T	98.5	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.6	-175.8	-62.2	0	0	0	0	111.4	L440 V442 L505 F509 S515 A516 L521 R543	L440-T519 HydrophobicContact CB-CG2 4.47Å; L440-T519 HydrophobicContact CD2-CG2 4.01Å; L440-T519 HydrophobicContact CG-CG2 4.26Å; L440-T519 WeakPolarHBondContact O-CA 3.29Å; V442-T519 HydrophobicContact CG2-CG2 3.93Å; L505-T519 HydrophobicContact CD2-CG2 4.28Å; F509-T519 HydrophobicContact CE1-CG2 4.39Å; F509-T519 VanDerWaalsContact CE1-OG1 3.25Å; F509-T519 WeakPolarHBondContact CE1-OG1 3.47Å; F509-T519 HydrophobicContact CZ-CG2 4.23Å; S515-T519 WeakPolarHBondContact O-CB 3.14Å; S515-T519 PolarHBondContact O-N 3.14Å; S515-T519 VanDerWaalsContact O-N 3.09Å; S515-T519 PolarHBondContact O-OG1 2.91Å; A516-T519 PolarHBondContact O-N 3.15Å; T519-L521 HydrophobicContact CG2-CD1 3.94Å; T519-R543 PolarHBondContact O-N 3.22Å
520	A	98.5	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.1	167.7	0	0	0	0	0	111.4	L440 L441 V442 A544 L679	L440-A520 PolarHBondContact O-N 2.94Å; L441-A520 WeakPolarHBondContact CA-O 3.12Å; L441-A520 HydrophobicContact CD1-CB 4.03Å; V442-A520 PolarHBondContact N-O 3.29Å; A520-A544 CarbonylContact C-O 3.5Å; A520-A544 WeakPolarHBondContact CA-O 3.5Å; A520-A544 HydrophobicContact CB-CB 4.2Å; A520-L679 HydrophobicContact CB-CD2 3.43Å; A520-L679 VanDerWaalsContact CB-CD2 3.43Å
521	L	98.6	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.4	172.8	-81.9	64.6	0	0	0	110.1	V442 L501 L505 T519 V531 M542 A544 V545 T546	V442-L521 HydrophobicContact CB-CD1 4.12Å; V442-L521 HydrophobicContact CB-CG 3.94Å; V442-L521 HydrophobicContact CG1-CG 4.26Å; V442-L521 HydrophobicContact CG2-CD1 4.37Å; V442-L521 CarbonylContact O-C 3.57Å; V442-L521 WeakPolarHBondContact O-CA 3.29Å; L501-L521 HydrophobicContact CD1-CD2 4.38Å; L501-L521 HydrophobicContact CD2-CD2 3.95Å; L501-L521 HydrophobicContact CG-CD2 4.47Å; L505-L521 HydrophobicContact CD1-CD1 4.33Å; L505-L521 HydrophobicContact CD1-CD2 4.43Å; L505-L521 HydrophobicContact CD2-CD1 4.14Å; T519-L521 HydrophobicContact CG2-CD1 3.94Å; L521-V531 HydrophobicContact CB-CG1 3.97Å; L521-V531 HydrophobicContact CD2-CG1 3.91Å; L521-V531 HydrophobicContact CD2-CG2 4.26Å; L521-M542 HydrophobicContact CD1-CB 3.7Å; L521-M542 HydrophobicContact CD1-CE 3.98Å; L521-M542 HydrophobicContact CD1-CG 4.26Å; L521-M542 HydrophobicContact CD2-CE 3.54Å; L521-M542 HydrophobicContact CG-CE 4.35Å; L521-A544 PolarHBondContact N-O 2.92Å; L521-V545 HydrophobicContact CB-CG1 4.39Å; L521-V545 HydrophobicContact CB-CG2 4.38Å; L521-V545 CarbonylContact O-C 3.58Å; L521-V545 VanDerWaalsContact O-CA 3.26Å; L521-V545 WeakPolarHBondContact O-CA 3.35Å; L521-T546 PolarHBondContact O-N 3.3Å
522	T	97.4	Very high	97.1	Very high	14 Å²	14	14.5 Å²	14.5	9%	0.086	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.9	170.8	-172.5	0	0	0	0	111.9	L441 V442 H443 V444 T546	L441-T522 HydrophobicContact CD1-CG2 3.92Å; L441-T522 HydrophobicContact CD2-CG2 4.24Å; L441-T522 HydrophobicContact CG-CG2 4.07Å; V442-T522 PolarHBondContact O-N 3.45Å; H443-T522 WeakPolarHBondContact CE1-CG2 3.43Å; H443-T522 WeakPolarHBondContact ND1-CG2 3.42Å; V444-T522 PolarHBondContact N-O 3.14Å; T522-T546 VanDerWaalsContact CA-O 3.24Å; T522-T546 WeakPolarHBondContact CA-O 3.5Å; T522-T546 WeakPolarHBondContact CB-OG1 3.3Å; T522-T546 PolarHBondContact OG1-O 3.1Å; T522-T546 PolarHBondContact OG1-OG1 3.37Å
523	A	96.1	Very high	97.2	Very high	8 Å²	8	13 Å²	13	7%	0.066	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	161.1	178.8	0	0	0	0	0	111	V444 G527 V531 T546 L547 Q548	V444-A523 WeakPolarHBondContact O-CB 3.44Å; A523-G527 VanDerWaalsContact CB-C 3.49Å; A523-G527 VanDerWaalsContact CB-O 3.31Å; A523-G527 WeakPolarHBondContact CB-O 3.35Å; A523-V531 HydrophobicContact CB-CG2 3.78Å; A523-T546 PolarHBondContact N-O 2.99Å; A523-L547 HydrophobicContact CB-CD2 4.15Å; A523-L547 WeakPolarHBondContact O-CA 3.3Å; A523-Q548 PolarHBondContact O-N 2.95Å
524	C	92.8	Very high	97.2	Very high	53 Å²	53	13 Å²	13	36%	0.358	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.6	177.3	64.4	0	0	0	0	112.2	A526 G527 Q548	C524-A526 PolarHBondContact O-N 2.63Å; C524-G527 WeakPolarHBondContact O-CA 3.28Å; C524-G527 PolarHBondContact O-N 2.82Å; C524-Q548 CarbonylContact C-O 3.48Å; C524-Q548 WeakPolarHBondContact CA-O 3.42Å; C524-Q548 HydrophobicContact CB-CB 4.12Å
525	S	94.3	Very high	97.2	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.035	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	51.6	-131.3	174.9	-168.8	0	0	0	0	112.4	G527 A528 Q548 A549 F551 H658	S525-G527 PolarHBondContact O-N 2.78Å; S525-A528 VanDerWaalsContact O-CB 3.26Å; S525-A528 WeakPolarHBondContact O-CB 3.42Å; S525-A528 PolarHBondContact O-N 3Å; S525-A528 VanDerWaalsContact O-N 3.1Å; S525-Q548 PolarHBondContact N-O 3.07Å; S525-A549 WeakPolarHBondContact CA-O 3.42Å; S525-A549 PolarHBondContact N-O 2.71Å; S525-F551 PolarHBondContact O-N 3.5Å; S525-H658 WeakPolarHBondContact CB-NE2 3.42Å; S525-H658 PolarHBondContact OG-CE1 2.74Å; S525-H658 VanDerWaalsContact OG-CE1 3.29Å; S525-H658 PolarHBondContact OG-NE2 3.42Å
526	A	95.2	Very high	97.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-56.9	-26.8	173.7	0	0	0	0	0	114.5	A447 Y448 C524 A528 V529 W573	A447-A526 HydrophobicContact CB-CB 3.82Å; Y448-A526 HydrophobicContact CD2-CB 4.19Å; Y448-A526 HydrophobicContact CE2-CB 3.32Å; C524-A526 PolarHBondContact O-N 2.63Å; A526-A528 PolarHBondContact O-N 3.4Å; A526-V529 WeakPolarHBondContact O-CB 3.41Å; A526-V529 WeakPolarHBondContact O-CG2 3.35Å; A526-V529 PolarHBondContact O-N 2.7Å; A526-W573 HydrophobicContact CB-CH2 3.92Å; A526-W573 HydrophobicContact CB-CZ2 3.63Å
527	G	96.1	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-63.6	-19.7	175.5	0	0	0	0	0	113.9	Y445 A523 C524 S525 V529 P530	Y445-G527 VanDerWaalsContact O-CA 3.28Å; Y445-G527 WeakPolarHBondContact O-CA 3.36Å; A523-G527 VanDerWaalsContact CB-C 3.49Å; A523-G527 VanDerWaalsContact CB-O 3.31Å; A523-G527 WeakPolarHBondContact CB-O 3.35Å; C524-G527 WeakPolarHBondContact O-CA 3.28Å; C524-G527 PolarHBondContact O-N 2.82Å; S525-G527 PolarHBondContact O-N 2.78Å; G527-V529 PolarHBondContact O-N 2.78Å; G527-P530 VanDerWaalsContact O-CD 3.29Å; G527-P530 WeakPolarHBondContact O-CD 3.29Å; G527-P530 WeakPolarHBondContact O-CG 3.41Å
528	A	97.8	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.8	-25.2	173.1	0	0	0	0	0	112.8	S525 A526 V531 A532 L547 P550 L552	S525-A528 VanDerWaalsContact O-CB 3.26Å; S525-A528 WeakPolarHBondContact O-CB 3.42Å; S525-A528 PolarHBondContact O-N 3Å; S525-A528 VanDerWaalsContact O-N 3.1Å; A526-A528 PolarHBondContact O-N 3.4Å; A528-V531 PolarHBondContact O-N 2.84Å; A528-A532 WeakPolarHBondContact O-CB 3.4Å; A528-A532 PolarHBondContact O-N 2.82Å; A528-L547 HydrophobicContact CB-CD1 4.28Å; A528-L547 HydrophobicContact CB-CD2 4.14Å; A528-P550 HydrophobicContact CB-CB 3.42Å; A528-P550 VanDerWaalsContact CB-CB 3.42Å; A528-L552 HydrophobicContact CB-CD2 4.35Å
529	V	98.3	Very high	97.3	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.024	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-58.1	-178.2	177.8	0	0	0	0	111.8	A526 G527 V531 A532 A533 F551 V554 W573 Y589 P591	A526-V529 WeakPolarHBondContact O-CB 3.41Å; A526-V529 WeakPolarHBondContact O-CG2 3.35Å; A526-V529 PolarHBondContact O-N 2.7Å; G527-V529 PolarHBondContact O-N 2.78Å; V529-V531 VanDerWaalsContact C-N 3.3Å; V529-V531 PolarHBondContact O-N 2.82Å; V529-A532 PolarHBondContact O-N 3.39Å; V529-A533 VanDerWaalsContact O-CB 3.24Å; V529-A533 WeakPolarHBondContact O-CB 3.28Å; V529-A533 PolarHBondContact O-N 2.76Å; V529-F551 HydrophobicContact CG2-CB 4.17Å; V529-F551 HydrophobicContact CG2-CD1 3.88Å; V529-F551 HydrophobicContact CG2-CG 4.26Å; V529-F551 WeakPolarHBondContact CG2-O 3.5Å; V529-V554 HydrophobicContact CG1-CG2 4.11Å; V529-V554 HydrophobicContact CG2-CG2 3.67Å; V529-W573 HydrophobicContact CB-CH2 4.15Å; V529-W573 HydrophobicContact CB-CZ3 4.17Å; V529-W573 HydrophobicContact CG1-CH2 4.47Å; V529-W573 HydrophobicContact CG1-CZ3 3.98Å; V529-W573 HydrophobicContact CG2-CH2 3.76Å; V529-W573 HydrophobicContact CG2-CZ3 4Å; V529-Y589 HydrophobicContact CG1-CD2 3.9Å; V529-Y589 HydrophobicContact CG1-CE2 3.85Å; V529-P591 HydrophobicContact CG1-CG 4.3Å
530	P	98.2	Very high	97.1	Very high	12 Å²	12	19.8 Å²	19.8	8%	0.078	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-34.5	-178.9	23.9	-34.7	0	0	0	113	V444 I475 V498 G527 L534	V444-P530 HydrophobicContact CG1-CG 4.26Å; I475-P530 HydrophobicContact CD1-CB 3.97Å; I475-P530 HydrophobicContact CD1-CG 3.88Å; V498-P530 HydrophobicContact CG2-CB 4.34Å; G527-P530 VanDerWaalsContact O-CD 3.29Å; G527-P530 WeakPolarHBondContact O-CD 3.29Å; G527-P530 WeakPolarHBondContact O-CG 3.41Å; P530-L534 WeakPolarHBondContact O-CB 3.43Å; P530-L534 PolarHBondContact O-N 3.23Å
531	V	98.7	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-50.2	177.8	177.9	0	0	0	0	111.1	V444 L501 L521 A523 A528 V529 A533 L534 C535 V545 L547	V444-V531 HydrophobicContact CB-CG2 3.97Å; V444-V531 HydrophobicContact CG1-CG2 4.35Å; V444-V531 HydrophobicContact CG2-CG2 4.16Å; L501-V531 HydrophobicContact CD2-CG2 4.04Å; L521-V531 HydrophobicContact CB-CG1 3.97Å; L521-V531 HydrophobicContact CD2-CG1 3.91Å; L521-V531 HydrophobicContact CD2-CG2 4.26Å; A523-V531 HydrophobicContact CB-CG2 3.78Å; A528-V531 PolarHBondContact O-N 2.84Å; V529-V531 VanDerWaalsContact C-N 3.3Å; V529-V531 PolarHBondContact O-N 2.82Å; V531-A533 VanDerWaalsContact C-N 3.35Å; V531-A533 PolarHBondContact O-N 2.87Å; V531-L534 WeakPolarHBondContact O-CB 3.14Å; V531-L534 PolarHBondContact O-N 3.16Å; V531-C535 PolarHBondContact O-N 2.84Å; V531-C535 PolarHBondContact O-SG 3.25Å; V531-V545 HydrophobicContact CG1-CG1 3.49Å; V531-V545 VanDerWaalsContact CG1-CG1 3.49Å; V531-V545 HydrophobicContact CG1-CG2 4.37Å; V531-L547 HydrophobicContact CB-CD2 4.22Å; V531-L547 HydrophobicContact CG1-CD2 3.94Å
532	A	98.6	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.2	-31.5	-179.1	0	0	0	0	0	112.4	A528 V529 C535 N536 L547 L552 P591 Y622	A528-A532 WeakPolarHBondContact O-CB 3.4Å; A528-A532 PolarHBondContact O-N 2.82Å; V529-A532 PolarHBondContact O-N 3.39Å; A532-C535 WeakPolarHBondContact O-CB 3.26Å; A532-C535 PolarHBondContact O-N 3.26Å; A532-N536 PolarHBondContact O-N 3.13Å; A532-L547 HydrophobicContact CB-CD1 4.35Å; A532-L552 HydrophobicContact CB-CD2 3.5Å; A532-L552 VanDerWaalsContact CB-CD2 3.5Å; A532-P591 HydrophobicContact CB-CB 3.61Å; A532-P591 HydrophobicContact CB-CG 3.84Å; A532-Y622 HydrophobicContact CB-CE2 4.45Å
533	A	98.4	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-42.8	169.5	0	0	0	0	0	111.5	V498 V529 V531 C535 N536 W537	V498-A533 HydrophobicContact CG1-CB 4.19Å; V498-A533 HydrophobicContact CG2-CB 3.79Å; V529-A533 VanDerWaalsContact O-CB 3.24Å; V529-A533 WeakPolarHBondContact O-CB 3.28Å; V529-A533 PolarHBondContact O-N 2.76Å; V531-A533 VanDerWaalsContact C-N 3.35Å; V531-A533 PolarHBondContact O-N 2.87Å; A533-C535 VanDerWaalsContact C-N 3.31Å; A533-C535 PolarHBondContact O-N 3.14Å; A533-N536 WeakPolarHBondContact O-CA 2.82Å; A533-N536 WeakPolarHBondContact O-CB 3.37Å; A533-N536 PolarHBondContact O-N 3.13Å; A533-W537 PolarHBondContact O-N 3.02Å
534	L	98.6	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-38	174.7	-174.7	62.8	0	0	0	111.9	V498 L501 Q502 L505 P530 V531 N536 W537 K538 M542	V498-L534 HydrophobicContact CG1-CB 3.92Å; V498-L534 HydrophobicContact CG1-CD1 4.26Å; L501-L534 HydrophobicContact CB-CD2 4.44Å; L501-L534 HydrophobicContact CD2-CB 4.31Å; L501-L534 HydrophobicContact CD2-CD2 3.7Å; L501-L534 HydrophobicContact CG-CD2 3.7Å; Q502-L534 HydrophobicContact CB-CD1 4.02Å; Q502-L534 HydrophobicContact CG-CD1 4.22Å; L505-L534 HydrophobicContact CD1-CD2 3.74Å; P530-L534 WeakPolarHBondContact O-CB 3.43Å; P530-L534 PolarHBondContact O-N 3.23Å; V531-L534 WeakPolarHBondContact O-CB 3.14Å; V531-L534 PolarHBondContact O-N 3.16Å; L534-N536 PolarHBondContact O-N 2.8Å; L534-W537 PolarHBondContact O-N 2.88Å; L534-W537 VanDerWaalsContact O-N 3.1Å; L534-K538 HydrophobicContact CD1-CB 3.93Å; L534-K538 HydrophobicContact CD1-CG 4.19Å; L534-K538 CarbonylContact O-C 3.02Å; L534-K538 PolarHBondContact O-N 2.84Å; L534-M542 HydrophobicContact CD2-CE 3.69Å; L534-M542 HydrophobicContact CG-CE 3.98Å
535	C	98.4	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-32.4	172.4	-66.3	0	0	0	0	112.6	V531 A532 A533 P539 Y600 P601 M603	V531-C535 PolarHBondContact O-N 2.84Å; V531-C535 PolarHBondContact O-SG 3.25Å; A532-C535 WeakPolarHBondContact O-CB 3.26Å; A532-C535 PolarHBondContact O-N 3.26Å; A533-C535 VanDerWaalsContact C-N 3.31Å; A533-C535 PolarHBondContact O-N 3.14Å; C535-P539 WeakPolarHBondContact O-CB 3.26Å; C535-Y600 HydrophobicContact CB-CD1 4.31Å; C535-Y600 WeakPolarHBondContact O-CE1 3.37Å; C535-P601 HydrophobicContact CB-CG 4.32Å; C535-M603 HydrophobicContact CB-CE 3.63Å
536	N	98.3	Very high	97.5	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.053	10%	0.1	C	C	.	.	H	α-helix	trans	-73.9	-37.9	173	-71.9	-31.2	0	0	0	112.2	A532 A533 L534 P591 N594 Q598 Y600	A532-N536 PolarHBondContact O-N 3.13Å; A533-N536 WeakPolarHBondContact O-CA 2.82Å; A533-N536 WeakPolarHBondContact O-CB 3.37Å; A533-N536 PolarHBondContact O-N 3.13Å; L534-N536 PolarHBondContact O-N 2.8Å; N536-P591 PolarHBondContact ND2-O 3.23Å; N536-N594 HydrophobicContact CB-CB 4.48Å; N536-Q598 PolarHBondContact O-NE2 3.05Å; N536-Y600 WeakPolarHBondContact OD1-CE1 3.48Å; N536-Y600 PolarHBondContact OD1-OH 3.11Å
537	W	96.7	Very high	97.5	Very high	65 Å²	65	21.6 Å²	21.6	25%	0.246	10%	0.101	C	C	.	.	H	α-helix	trans	-84.7	-41.1	-174.3	-63.6	0.7	0	0	0	114	R495 V498 E499 A533 L534	R495-W537 HydrophobicContact CG-CH2 3.37Å; R495-W537 HydrophobicContact CG-CZ2 3.97Å; R495-W537 HydrophobicContact CG-CZ3 4.34Å; V498-W537 HydrophobicContact CB-CE3 4.08Å; V498-W537 HydrophobicContact CB-CH2 3.46Å; V498-W537 VanDerWaalsContact CB-CH2 3.46Å; V498-W537 HydrophobicContact CB-CZ2 4.3Å; V498-W537 HydrophobicContact CB-CZ3 3.38Å; V498-W537 HydrophobicContact CG1-CD2 3.98Å; V498-W537 HydrophobicContact CG1-CE3 3.43Å; V498-W537 VanDerWaalsContact CG1-CE3 3.43Å; V498-W537 HydrophobicContact CG1-CH2 3.69Å; V498-W537 HydrophobicContact CG1-CZ2 4.26Å; V498-W537 HydrophobicContact CG1-CZ3 3.29Å; V498-W537 HydrophobicContact CG2-CH2 3.78Å; V498-W537 HydrophobicContact CG2-CZ2 4.26Å; V498-W537 HydrophobicContact CG2-CZ3 4.21Å; E499-W537 HydrophobicContact CG-CZ3 4.16Å; A533-W537 PolarHBondContact O-N 3.02Å; L534-W537 PolarHBondContact O-N 2.88Å; L534-W537 VanDerWaalsContact O-N 3.1Å
538	K	97.3	Very high	97.4	Very high	101 Å²	101	24.6 Å²	24.6	44%	0.439	12%	0.115	S	C	.	.			trans	-140.8	62.2	-171.3	-60.4	-65.7	178.4	-177.3	0	111	L534 N540 M541	L534-K538 HydrophobicContact CD1-CB 3.93Å; L534-K538 HydrophobicContact CD1-CG 4.19Å; L534-K538 CarbonylContact O-C 3.02Å; L534-K538 PolarHBondContact O-N 2.84Å; K538-N540 PolarHBondContact O-N 3.39Å; K538-M541 HydrophobicContact CB-CG 3.91Å; K538-M541 HydrophobicContact CB-SD 3.6Å; K538-M541 HydrophobicContact CG-SD 3.96Å; K538-M541 PolarHBondContact O-N 3.49Å; K538-M541 VanDerWaalsContact O-N 3.15Å
539	P	95.8	Very high	97.1	Very high	15 Å²	15	24.7 Å²	24.7	10%	0.097	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.4	-17.9	-175.5	22.2	-33.9	0	0	0	115.1	C535 R599	C535-P539 WeakPolarHBondContact O-CB 3.26Å; P539-R599 WeakPolarHBondContact CB-O 3.21Å; P539-R599 VanDerWaalsContact CG-O 3.27Å; P539-R599 WeakPolarHBondContact CG-O 3.31Å
540	N	95.3	Very high	97	Very high	128 Å²	128	24.5 Å²	24.5	68%	0.684	12%	0.115	S	C	*	.	G	3₁₀ helix	trans	-89.4	3.1	-177.4	-58	-26.8	0	0	0	113.9	A516 K538 M542	A516-N540 WeakPolarHBondContact CB-O 3.04Å; K538-N540 PolarHBondContact O-N 3.39Å; N540-M542 VanDerWaalsContact C-N 3.34Å
541	M	96.8	Very high	97	Very high	25 Å²	25	24.3 Å²	24.3	12%	0.123	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-86.4	-6.5	-179.2	-72.1	-173.6	67.2	0	0	113.9	Q502 L505 Q506 K538	Q502-M541 HydrophobicContact CG-CE 3.76Å; Q502-M541 HydrophobicContact CG-SD 3.63Å; L505-M541 HydrophobicContact CB-CE 3.64Å; L505-M541 HydrophobicContact CD1-CB 4.15Å; L505-M541 HydrophobicContact CD1-CE 4.05Å; L505-M541 HydrophobicContact CG-CE 4.49Å; Q506-M541 HydrophobicContact CG-CE 3.87Å; K538-M541 HydrophobicContact CB-CG 3.91Å; K538-M541 HydrophobicContact CB-SD 3.6Å; K538-M541 HydrophobicContact CG-SD 3.96Å; K538-M541 PolarHBondContact O-N 3.49Å; K538-M541 VanDerWaalsContact O-N 3.15Å
542	M	97.4	Very high	96.9	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.034	11%	0.113	C	C	.	.			trans	-148.2	157.3	177.4	63.5	-76.3	-80.6	0	0	109.8	L505 A516 L521 L534 N540 V545 P601	L505-M542 HydrophobicContact CD1-CE 4.25Å; A516-M542 CarbonylContact O-C 3.57Å; L521-M542 HydrophobicContact CD1-CB 3.7Å; L521-M542 HydrophobicContact CD1-CE 3.98Å; L521-M542 HydrophobicContact CD1-CG 4.26Å; L521-M542 HydrophobicContact CD2-CE 3.54Å; L521-M542 HydrophobicContact CG-CE 4.35Å; L534-M542 HydrophobicContact CD2-CE 3.69Å; L534-M542 HydrophobicContact CG-CE 3.98Å; N540-M542 VanDerWaalsContact C-N 3.34Å; M542-V545 HydrophobicContact CG-CG2 3.98Å; M542-P601 HydrophobicContact CG-CB 3.92Å; M542-P601 HydrophobicContact CG-CG 3.99Å; M542-P601 HydrophobicContact SD-CG 4.3Å
543	R	97.8	Very high	96.9	Very high	78 Å²	78	25 Å²	25	29%	0.294	12%	0.116	S	C	.	.	S	Bend	trans	-92.1	-39.1	177	178.6	60.1	178.1	177.8	4.2	112.1	A516 S517 T519 P601 S602 E682 L683	A516-R543 PolarHBondContact O-N 3.29Å; S517-R543 WeakPolarHBondContact O-CB 3.08Å; S517-R543 WeakPolarHBondContact O-CG 3.41Å; T519-R543 PolarHBondContact O-N 3.22Å; R543-P601 WeakPolarHBondContact O-CB 3.3Å; R543-S602 PolarHBondContact O-N 3.06Å; R543-S602 VanDerWaalsContact O-N 3.09Å; R543-E682 WeakPolarHBondContact CG-O 3.39Å; R543-E682 PolarHBondContact NE-O 3.43Å; R543-L683 HydrophobicContact CB-CD2 3.61Å; R543-L683 HydrophobicContact CG-CD2 3.64Å
544	A	97.8	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.5	-175.5	0	0	0	0	0	112.7	A520 L521 S602 F678 L679 E682	A520-A544 CarbonylContact C-O 3.5Å; A520-A544 WeakPolarHBondContact CA-O 3.5Å; A520-A544 HydrophobicContact CB-CB 4.2Å; L521-A544 PolarHBondContact N-O 2.92Å; A544-S602 CarbonylContact C-O 3.56Å; A544-S602 VanDerWaalsContact CA-O 3.23Å; A544-S602 WeakPolarHBondContact CA-O 3.03Å; A544-F678 HydrophobicContact CB-CE1 4.08Å; A544-F678 HydrophobicContact CB-CZ 4.46Å; A544-L679 HydrophobicContact CB-CD2 4.24Å; A544-E682 HydrophobicContact CB-CB 3.98Å
545	V	98.2	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.6	174.8	-173.8	0	0	0	0	110.6	L521 V531 M542 L547 P601 S602 M603 L604	L521-V545 HydrophobicContact CB-CG1 4.39Å; L521-V545 HydrophobicContact CB-CG2 4.38Å; L521-V545 CarbonylContact O-C 3.58Å; L521-V545 VanDerWaalsContact O-CA 3.26Å; L521-V545 WeakPolarHBondContact O-CA 3.35Å; V531-V545 HydrophobicContact CG1-CG1 3.49Å; V531-V545 VanDerWaalsContact CG1-CG1 3.49Å; V531-V545 HydrophobicContact CG1-CG2 4.37Å; M542-V545 HydrophobicContact CG-CG2 3.98Å; V545-L547 HydrophobicContact CG1-CD1 4.28Å; V545-L547 HydrophobicContact CG1-CD2 3.47Å; V545-L547 VanDerWaalsContact CG1-CD2 3.47Å; V545-L547 HydrophobicContact CG1-CG 3.65Å; V545-P601 HydrophobicContact CG2-CB 4.33Å; V545-P601 HydrophobicContact CG2-CG 3.91Å; V545-S602 PolarHBondContact N-O 2.98Å; V545-M603 HydrophobicContact CB-CG 4.43Å; V545-M603 WeakPolarHBondContact O-CA 3.4Å; V545-L604 PolarHBondContact O-N 2.89Å
546	T	97.2	Very high	96.6	Very high	5 Å²	5	26 Å²	26	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.6	171	63.1	0	0	0	0	109.6	L521 T522 A523 L604 E675 F678 L679	L521-T546 PolarHBondContact O-N 3.3Å; T522-T546 VanDerWaalsContact CA-O 3.24Å; T522-T546 WeakPolarHBondContact CA-O 3.5Å; T522-T546 WeakPolarHBondContact CB-OG1 3.3Å; T522-T546 PolarHBondContact OG1-O 3.1Å; T522-T546 PolarHBondContact OG1-OG1 3.37Å; A523-T546 PolarHBondContact N-O 2.99Å; T546-L604 WeakPolarHBondContact CA-O 3.23Å; T546-L604 HydrophobicContact CG2-CB 4.17Å; T546-L604 HydrophobicContact CG2-CD2 4.18Å; T546-E675 HydrophobicContact CG2-CG 3.93Å; T546-F678 HydrophobicContact CG2-CD1 3.83Å; T546-F678 HydrophobicContact CG2-CE1 3.99Å; T546-L679 HydrophobicContact CG2-CD1 4.39Å; T546-L679 HydrophobicContact CG2-CD2 3.78Å; T546-L679 HydrophobicContact CG2-CG 4.01Å
547	L	96.3	Very high	96.5	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.7	-177.2	-55.1	179.8	0	0	0	110.6	A523 A528 V531 A532 V545 P550 L552 L604 L605 T606	A523-L547 HydrophobicContact CB-CD2 4.15Å; A523-L547 WeakPolarHBondContact O-CA 3.3Å; A528-L547 HydrophobicContact CB-CD1 4.28Å; A528-L547 HydrophobicContact CB-CD2 4.14Å; V531-L547 HydrophobicContact CB-CD2 4.22Å; V531-L547 HydrophobicContact CG1-CD2 3.94Å; A532-L547 HydrophobicContact CB-CD1 4.35Å; V545-L547 HydrophobicContact CG1-CD1 4.28Å; V545-L547 HydrophobicContact CG1-CD2 3.47Å; V545-L547 VanDerWaalsContact CG1-CD2 3.47Å; V545-L547 HydrophobicContact CG1-CG 3.65Å; L547-P550 HydrophobicContact CB-CB 3.73Å; L547-P550 HydrophobicContact CB-CG 4.12Å; L547-P550 HydrophobicContact CD1-CB 4.4Å; L547-L552 HydrophobicContact CD1-CD2 4.14Å; L547-L604 PolarHBondContact N-O 3.29Å; L547-L605 HydrophobicContact CB-CD2 4.03Å; L547-L605 HydrophobicContact CD1-CD2 3.8Å; L547-L605 HydrophobicContact CG-CD2 4.21Å; L547-T606 PolarHBondContact O-N 3.23Å
548	Q	92.9	Very high	96.4	Very high	63 Å²	63	23.2 Å²	23.2	29%	0.294	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132	-177.6	-172.2	-175.1	-6.6	0	0	111.3	A523 C524 S525 P550 T606 Y608 L659	A523-Q548 PolarHBondContact O-N 2.95Å; C524-Q548 CarbonylContact C-O 3.48Å; C524-Q548 WeakPolarHBondContact CA-O 3.42Å; C524-Q548 HydrophobicContact CB-CB 4.12Å; S525-Q548 PolarHBondContact N-O 3.07Å; Q548-P550 VanDerWaalsContact C-N 3.3Å; Q548-T606 CarbonylContact C-O 3.55Å; Q548-Y608 HydrophobicContact CG-CE2 4Å; Q548-Y608 WeakPolarHBondContact CG-OH 3.34Å; Q548-Y608 PolarHBondContact NE2-OH 3.12Å; Q548-L659 PolarHBondContact NE2-O 2.77Å
549	A	92.9	Very high	96.3	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.017	11%	0.109	C	C	.	.	S	Bend	trans	41.1	52.1	-171.5	0	0	0	0	0	113	S525 F551 T606 Y608 H658	S525-A549 WeakPolarHBondContact CA-O 3.42Å; S525-A549 PolarHBondContact N-O 2.71Å; A549-F551 PolarHBondContact O-N 2.93Å; A549-T606 PolarHBondContact N-O 3.38Å; A549-Y608 HydrophobicContact CB-CD2 4.03Å; A549-Y608 HydrophobicContact CB-CE2 3.97Å; A549-H658 WeakPolarHBondContact CB-O 3.38Å
550	P	96.2	Very high	96.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.			trans	-81.3	128.9	-158.7	32.9	-37.6	0	0	0	113.8	A528 L547 Q548 L552 T606 V619	A528-P550 HydrophobicContact CB-CB 3.42Å; A528-P550 VanDerWaalsContact CB-CB 3.42Å; L547-P550 HydrophobicContact CB-CB 3.73Å; L547-P550 HydrophobicContact CB-CG 4.12Å; L547-P550 HydrophobicContact CD1-CB 4.4Å; Q548-P550 VanDerWaalsContact C-N 3.3Å; P550-L552 HydrophobicContact CB-CD1 3.88Å; P550-L552 HydrophobicContact CB-CD2 4.26Å; P550-L552 HydrophobicContact CB-CG 3.84Å; P550-L552 HydrophobicContact CG-CD1 3.64Å; P550-L552 HydrophobicContact CG-CG 4.13Å; P550-L552 PolarHBondContact O-N 3.22Å; P550-T606 VanDerWaalsContact CD-O 3.29Å; P550-T606 WeakPolarHBondContact CD-O 3.19Å; P550-V619 HydrophobicContact CG-CG1 4.07Å; P550-V619 HydrophobicContact CG-CG2 4.08Å; P550-V619 WeakPolarHBondContact O-CG2 3.06Å
551	F	96.9	Very high	95.6	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.031	11%	0.109	C	C	.	.			trans	-78	101.8	172.2	-170.8	-151.3	0	0	0	110.4	S525 V529 A549 V554 T557 W573 I614	S525-F551 PolarHBondContact O-N 3.5Å; V529-F551 HydrophobicContact CG2-CB 4.17Å; V529-F551 HydrophobicContact CG2-CD1 3.88Å; V529-F551 HydrophobicContact CG2-CG 4.26Å; V529-F551 WeakPolarHBondContact CG2-O 3.5Å; A549-F551 PolarHBondContact O-N 2.93Å; F551-V554 HydrophobicContact CD1-CG2 4.1Å; F551-V554 HydrophobicContact CE1-CB 4.2Å; F551-V554 HydrophobicContact CE1-CG1 3.93Å; F551-V554 HydrophobicContact CE1-CG2 3.85Å; F551-V554 HydrophobicContact CE2-CG2 4.46Å; F551-V554 HydrophobicContact CZ-CB 4.05Å; F551-V554 HydrophobicContact CZ-CG1 3.98Å; F551-V554 HydrophobicContact CZ-CG2 4.06Å; F551-T557 HydrophobicContact CE2-CG2 3.95Å; F551-T557 HydrophobicContact CZ-CG2 4.08Å; F551-W573 HydrophobicContact CD1-CH2 4.3Å; F551-W573 AromaticContact CD1-CZ2 3.82Å; F551-W573 HydrophobicContact CD1-CZ2 3.82Å; F551-W573 HydrophobicContact CE1-CD2 4.21Å; F551-W573 AromaticContact CE1-CE2 3.68Å; F551-W573 AromaticContact CE1-CZ2 3.89Å; F551-W573 HydrophobicContact CE1-CZ2 3.89Å; F551-W573 AromaticContact CE1-NE1 3.73Å; F551-I614 HydrophobicContact CB-CD1 3.74Å; F551-I614 HydrophobicContact CD2-CD1 4.15Å; F551-I614 HydrophobicContact CG-CD1 4.02Å
552	L	97.8	Very high	95.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	14%	0.139	C	C	.	.			trans	-117.5	-20.3	-170.4	-64.2	170.1	0	0	0	114.4	A528 A532 L547 P550 P591 L592 L605 V619 Y622	A528-L552 HydrophobicContact CB-CD2 4.35Å; A532-L552 HydrophobicContact CB-CD2 3.5Å; A532-L552 VanDerWaalsContact CB-CD2 3.5Å; L547-L552 HydrophobicContact CD1-CD2 4.14Å; P550-L552 HydrophobicContact CB-CD1 3.88Å; P550-L552 HydrophobicContact CB-CD2 4.26Å; P550-L552 HydrophobicContact CB-CG 3.84Å; P550-L552 HydrophobicContact CG-CD1 3.64Å; P550-L552 HydrophobicContact CG-CG 4.13Å; P550-L552 PolarHBondContact O-N 3.22Å; L552-P591 HydrophobicContact CD2-CB 4.21Å; L552-L592 WeakPolarHBondContact O-CB 2.9Å; L552-L592 PolarHBondContact O-N 3.33Å; L552-L605 HydrophobicContact CD1-CD2 4.42Å; L552-V619 HydrophobicContact CD1-CG1 4.32Å; L552-Y622 HydrophobicContact CB-CD2 3.94Å; L552-Y622 HydrophobicContact CB-CG 4.05Å; L552-Y622 HydrophobicContact CD1-CD1 3.7Å; L552-Y622 HydrophobicContact CD1-CD2 4.25Å; L552-Y622 HydrophobicContact CD1-CE1 4.27Å; L552-Y622 HydrophobicContact CD1-CG 3.68Å; L552-Y622 HydrophobicContact CD2-CD2 4.31Å; L552-Y622 HydrophobicContact CD2-CE2 4.26Å; L552-Y622 HydrophobicContact CG-CD2 4.39Å; L552-Y622 HydrophobicContact CG-CG 4.3Å
553	D	97.4	Very high	94.6	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.064	15%	0.147	C	C	.	.			trans	-112.3	65.3	179.1	-169.6	7.5	0	0	0	110.9	L555 G556 T557 L592 H593	D553-L555 PolarHBondContact O-N 3.38Å; D553-G556 WeakPolarHBondContact OD1-CA 3.13Å; D553-G556 PolarHBondContact OD1-N 3.29Å; D553-T557 WeakPolarHBondContact O-CB 3.37Å; D553-T557 PolarHBondContact O-N 3.24Å; D553-T557 PolarHBondContact O-OG1 2.8Å; D553-L592 HydrophobicContact CB-CB 4.35Å; D553-L592 HydrophobicContact CB-CD2 3.76Å; D553-L592 WeakPolarHBondContact OD2-CD2 3.46Å; D553-H593 IonicContact OD1-CE1 3.35Å; D553-H593 PolarHBondContact OD1-CE1 3.17Å; D553-H593 IonicContact OD1-ND1 2.89Å
554	V	97.3	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-49	-176.6	-172.2	0	0	0	0	111.2	V529 F551 T557 M558 W573 I586 Y589 C590	V529-V554 HydrophobicContact CG1-CG2 4.11Å; V529-V554 HydrophobicContact CG2-CG2 3.67Å; F551-V554 HydrophobicContact CD1-CG2 4.1Å; F551-V554 HydrophobicContact CE1-CB 4.2Å; F551-V554 HydrophobicContact CE1-CG1 3.93Å; F551-V554 HydrophobicContact CE1-CG2 3.85Å; F551-V554 HydrophobicContact CE2-CG2 4.46Å; F551-V554 HydrophobicContact CZ-CB 4.05Å; F551-V554 HydrophobicContact CZ-CG1 3.98Å; F551-V554 HydrophobicContact CZ-CG2 4.06Å; V554-T557 PolarHBondContact O-N 3.31Å; V554-M558 HydrophobicContact CG1-CG 4.12Å; V554-M558 WeakPolarHBondContact O-CB 3.43Å; V554-M558 WeakPolarHBondContact O-CG 3Å; V554-M558 PolarHBondContact O-N 2.76Å; V554-W573 HydrophobicContact CG1-CB 4.22Å; V554-W573 HydrophobicContact CG1-CD2 4.12Å; V554-W573 HydrophobicContact CG1-CE3 4.08Å; V554-W573 HydrophobicContact CG1-CG 4.17Å; V554-I586 HydrophobicContact CB-CG2 4.04Å; V554-I586 HydrophobicContact CG1-CG2 3.69Å; V554-Y589 HydrophobicContact CG1-CE2 4.48Å; V554-C590 HydrophobicContact CB-CB 4.48Å; V554-C590 PolarHBondContact N-SG 3.34Å; V554-C590 VanDerWaalsContact N-SG 3.36Å
555	L	97	Very high	93.1	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-49.3	-179	-176.6	61.5	0	0	0	111.7	D553 T557 M558 E559 A576 R583 I586 A587 C590	D553-L555 PolarHBondContact O-N 3.38Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.44Å; L555-M558 PolarHBondContact O-N 3.11Å; L555-E559 HydrophobicContact CD1-CG 4.41Å; L555-E559 WeakPolarHBondContact O-CG 3.49Å; L555-E559 PolarHBondContact O-N 3.43Å; L555-E559 VanDerWaalsContact O-N 3.09Å; L555-A576 HydrophobicContact CD1-CB 4.15Å; L555-R583 HydrophobicContact CD1-CG 3.93Å; L555-I586 HydrophobicContact CB-CG2 3.89Å; L555-I586 HydrophobicContact CD1-CB 4.34Å; L555-I586 HydrophobicContact CD1-CG2 4.09Å; L555-A587 HydrophobicContact CD2-CB 3.99Å; L555-C590 HydrophobicContact CB-CB 4.33Å; L555-C590 PolarHBondContact N-SG 2.98Å
556	G	96	Very high	92.6	Very high	11 Å²	11	28.4 Å²	28.4	11%	0.113	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-31.3	-177.3	0	0	0	0	0	113.4	D553 K560	D553-G556 WeakPolarHBondContact OD1-CA 3.13Å; D553-G556 PolarHBondContact OD1-N 3.29Å; G556-K560 WeakPolarHBondContact O-CG 3.4Å
557	T	95.2	Very high	92.1	Very high	15 Å²	15	30.4 Å²	30.4	9%	0.092	17%	0.169	C	C	.	.	H	α-helix	trans	-72.4	-45.7	172.6	-67.6	0	0	0	0	111.4	F551 D553 V554 L555 E559 K560 L563 T566 P615	F551-T557 HydrophobicContact CE2-CG2 3.95Å; F551-T557 HydrophobicContact CZ-CG2 4.08Å; D553-T557 WeakPolarHBondContact O-CB 3.37Å; D553-T557 PolarHBondContact O-N 3.24Å; D553-T557 PolarHBondContact O-OG1 2.8Å; V554-T557 PolarHBondContact O-N 3.31Å; L555-T557 VanDerWaalsContact C-N 3.29Å; L555-T557 PolarHBondContact O-N 3.44Å; T557-E559 PolarHBondContact O-N 2.91Å; T557-K560 PolarHBondContact O-N 3.27Å; T557-L563 HydrophobicContact CG2-CD1 3.98Å; T557-T566 PolarHBondContact O-OG1 2.87Å; T557-P615 HydrophobicContact CG2-CG 4.48Å
558	M	95.4	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-15.8	-175.4	-62	-88.5	40.4	0	0	113.6	V554 L555 K560 T566 D569 R570 W573 A576 I586	V554-M558 HydrophobicContact CG1-CG 4.12Å; V554-M558 WeakPolarHBondContact O-CB 3.43Å; V554-M558 WeakPolarHBondContact O-CG 3Å; V554-M558 PolarHBondContact O-N 2.76Å; L555-M558 PolarHBondContact O-N 3.11Å; M558-K560 VanDerWaalsContact C-N 3.35Å; M558-T566 HydrophobicContact CE-CG2 3.63Å; M558-T566 WeakPolarHBondContact CE-O 3.4Å; M558-D569 HydrophobicContact CE-CB 4.12Å; M558-D569 HydrophobicContact SD-CB 4.28Å; M558-R570 HydrophobicContact CE-CG 4.31Å; M558-W573 HydrophobicContact CG-CB 4.32Å; M558-W573 HydrophobicContact SD-CB 3.59Å; M558-W573 VanDerWaalsContact SD-CB 3.59Å; M558-W573 VanDerWaalsContact SD-CD1 3.59Å; M558-W573 HydrophobicContact SD-CG 3.9Å; M558-A576 HydrophobicContact CB-CB 3.92Å; M558-I586 HydrophobicContact CB-CD1 4.34Å; M558-I586 HydrophobicContact CG-CD1 4.48Å
559	E	94.9	Very high	91.4	Very high	69 Å²	69	28.9 Å²	28.9	32%	0.322	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.8	169.7	-73.2	179.1	142	0	0	113.9	L555 T557 A576 V577 R583	L555-E559 HydrophobicContact CD1-CG 4.41Å; L555-E559 WeakPolarHBondContact O-CG 3.49Å; L555-E559 PolarHBondContact O-N 3.43Å; L555-E559 VanDerWaalsContact O-N 3.09Å; T557-E559 PolarHBondContact O-N 2.91Å; E559-A576 HydrophobicContact CG-CB 4.21Å; E559-V577 WeakPolarHBondContact O-CG2 3.37Å; E559-R583 IonicContact OE1-CZ 2.71Å; E559-R583 IonicContact OE1-NH1 3.17Å; E559-R583 PolarHBondContact OE1-NH1 2.53Å; E559-R583 IonicContact OE1-NH2 3.44Å; E559-R583 PolarHBondContact OE1-NH2 2.86Å
560	K	92.5	Very high	91.3	Very high	79 Å²	79	32.3 Å²	32.3	34%	0.343	18%	0.175	S	C	.	.			trans	-112.4	91.5	-173.2	-68	178	-179.2	-178.1	0	111.7	G556 T557 M558 D562 L563 T566 E617	G556-K560 WeakPolarHBondContact O-CG 3.4Å; T557-K560 PolarHBondContact O-N 3.27Å; M558-K560 VanDerWaalsContact C-N 3.35Å; K560-D562 PolarHBondContact O-N 2.92Å; K560-L563 HydrophobicContact CB-CD1 3.75Å; K560-L563 HydrophobicContact CB-CG 3.88Å; K560-L563 HydrophobicContact CD-CD1 3.87Å; K560-L563 HydrophobicContact CD-CG 4.32Å; K560-L563 HydrophobicContact CG-CD1 4.48Å; K560-L563 PolarHBondContact O-N 3.47Å; K560-T566 WeakPolarHBondContact O-CB 3.43Å; K560-T566 VanDerWaalsContact O-CG2 3.29Å; K560-T566 WeakPolarHBondContact O-CG2 3.26Å; K560-T566 PolarHBondContact O-OG1 3.46Å; K560-T566 VanDerWaalsContact O-OG1 3.06Å; K560-E617 IonicContact NZ-OE2 3.57Å; K560-E617 PolarHBondContact NZ-OE2 3.45Å; K560-E617 VanDerWaalsContact NZ-OE2 3.07Å
561	A	84.8	Confident	91	Very high	52 Å²	52	34.4 Å²	34.4	43%	0.43	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.9	-175.9	0	0	0	0	0	114.9
562	D	85.9	Confident	90.8	Very high	141 Å²	141	34.1 Å²	34.1	75%	0.754	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.6	178.4	62.8	-38.7	0	0	0	113.6	K560	K560-D562 PolarHBondContact O-N 2.92Å
563	L	86.4	Confident	90.6	Very high	41 Å²	41	34.1 Å²	34.1	22%	0.215	19%	0.185	C	C	.	.	S	Bend	trans	-72.8	146.5	173.9	-67.1	176.9	0	0	0	111.1	T557 K560 L565 T566 P615	T557-L563 HydrophobicContact CG2-CD1 3.98Å; K560-L563 HydrophobicContact CB-CD1 3.75Å; K560-L563 HydrophobicContact CB-CG 3.88Å; K560-L563 HydrophobicContact CD-CD1 3.87Å; K560-L563 HydrophobicContact CD-CG 4.32Å; K560-L563 HydrophobicContact CG-CD1 4.48Å; K560-L563 PolarHBondContact O-N 3.47Å; L563-L565 PolarHBondContact O-N 2.83Å; L563-T566 PolarHBondContact O-N 3.15Å; L563-P615 HydrophobicContact CD1-CG 3.77Å; L563-P615 HydrophobicContact CD2-CG 4.44Å
564	P	79.8	Confident	90.5	Very high	56 Å²	56	33.5 Å²	33.5	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	141.8	172.8	-23.6	34	0	0	0	111.1	L182 T566 P612	L182-P564 HydrophobicContact CD1-CB 4.14Å; P564-T566 PolarHBondContact O-N 3.11Å; P564-P612 WeakPolarHBondContact CB-O 3.13Å; P564-P612 WeakPolarHBondContact CG-O 3.46Å
565	L	85.1	Confident	90.3	Very high	24 Å²	24	35.3 Å²	35.3	13%	0.126	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-16.9	178	-45.8	178.8	0	0	0	116.8	V8 L182 L563 V567 E568 D569 R613	V8-L565 HydrophobicContact CG1-CD1 4.32Å; V8-L565 HydrophobicContact CG1-CD2 3.42Å; V8-L565 VanDerWaalsContact CG1-CD2 3.42Å; L182-L565 HydrophobicContact CB-CD2 4.16Å; L182-L565 HydrophobicContact CD1-CD1 4.2Å; L182-L565 HydrophobicContact CD1-CD2 4.19Å; L182-L565 HydrophobicContact CD1-CG 4.13Å; L563-L565 PolarHBondContact O-N 2.83Å; L565-V567 PolarHBondContact O-N 3.25Å; L565-V567 VanDerWaalsContact O-N 3.11Å; L565-E568 WeakPolarHBondContact CD2-OE2 3.42Å; L565-E568 WeakPolarHBondContact O-CB 3.24Å; L565-E568 PolarHBondContact O-N 3.07Å; L565-D569 WeakPolarHBondContact O-CB 3.34Å; L565-D569 PolarHBondContact O-N 3.24Å; L565-R613 HydrophobicContact CD1-CB 4.04Å; L565-R613 HydrophobicContact CD1-CG 4.11Å
566	T	87.1	Confident	90.2	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-51.7	-42.4	-175.2	-74.9	0	0	0	0	112.9	T557 M558 K560 L563 P564 D569 R570	T557-T566 PolarHBondContact O-OG1 2.87Å; M558-T566 HydrophobicContact CE-CG2 3.63Å; M558-T566 WeakPolarHBondContact CE-O 3.4Å; K560-T566 WeakPolarHBondContact O-CB 3.43Å; K560-T566 VanDerWaalsContact O-CG2 3.29Å; K560-T566 WeakPolarHBondContact O-CG2 3.26Å; K560-T566 PolarHBondContact O-OG1 3.46Å; K560-T566 VanDerWaalsContact O-OG1 3.06Å; L563-T566 PolarHBondContact O-N 3.15Å; P564-T566 PolarHBondContact O-N 3.11Å; T566-D569 PolarHBondContact O-N 3.3Å; T566-R570 PolarHBondContact O-N 2.84Å
567	V	86.4	Confident	90.1	Very high	46 Å²	46	38.7 Å²	38.7	28%	0.279	21%	0.21	S	C	.	.	H	α-helix	trans	-67.3	-46.3	-179.5	179	0	0	0	0	111.1	P209 D210 L565 D569 R570	P209-V567 HydrophobicContact CG-CG1 4.17Å; D210-V567 HydrophobicContact CB-CG1 4.43Å; L565-V567 PolarHBondContact O-N 3.25Å; L565-V567 VanDerWaalsContact O-N 3.11Å; V567-D569 VanDerWaalsContact C-N 3.26Å; V567-D569 PolarHBondContact O-N 2.74Å; V567-R570 WeakPolarHBondContact O-CB 3.18Å; V567-R570 PolarHBondContact O-N 3.14Å
568	E	84.8	Confident	90.1	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-39.5	175.7	-65.6	165.9	-151.5	0	0	111.3	D210 R231 L565 R570	D210-E568 HydrophobicContact CB-CG 4.11Å; R231-E568 VanDerWaalsContact NH1-CB 3.3Å; R231-E568 PolarHBondContact NH1-O 3.47Å; L565-E568 WeakPolarHBondContact CD2-OE2 3.42Å; L565-E568 WeakPolarHBondContact O-CB 3.24Å; L565-E568 PolarHBondContact O-N 3.07Å; E568-R570 VanDerWaalsContact C-N 3.26Å; E568-R570 PolarHBondContact O-N 2.83Å
569	D	90.3	Very high	90.1	Very high	13 Å²	13	43 Å²	43	7%	0.07	25%	0.246	C	C	.	.	H	α-helix	trans	-76	-9.5	-172	-97.8	34.7	0	0	0	113.9	R231 Y448 M558 L565 T566 V567 D571 E572 W573	R231-D569 IonicContact CZ-OD1 3.56Å; R231-D569 IonicContact NH1-OD1 3.93Å; R231-D569 PolarHBondContact NH1-OD1 3.15Å; R231-D569 IonicContact NH2-OD1 2.89Å; R231-D569 PolarHBondContact NH2-OD1 3.36Å; Y448-D569 PolarHBondContact OH-OD2 2.87Å; M558-D569 HydrophobicContact CE-CB 4.12Å; M558-D569 HydrophobicContact SD-CB 4.28Å; L565-D569 WeakPolarHBondContact O-CB 3.34Å; L565-D569 PolarHBondContact O-N 3.24Å; T566-D569 PolarHBondContact O-N 3.3Å; V567-D569 VanDerWaalsContact C-N 3.26Å; V567-D569 PolarHBondContact O-N 2.74Å; D569-D571 PolarHBondContact O-N 3.06Å; D569-E572 PolarHBondContact O-N 3.25Å; D569-W573 VanDerWaalsContact O-CD1 3.25Å; D569-W573 PolarHBondContact O-N 3.3Å; D569-W573 PolarHBondContact OD2-NE1 3.01Å
570	R	91.1	Very high	90.1	Very high	74 Å²	74	44.2 Å²	44.2	28%	0.279	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-34.9	173.2	-71.8	176.8	172.8	157.6	0.1	112.5	M558 T566 V567 E568 E572 G574 D575	M558-R570 HydrophobicContact CE-CG 4.31Å; T566-R570 PolarHBondContact O-N 2.84Å; V567-R570 WeakPolarHBondContact O-CB 3.18Å; V567-R570 PolarHBondContact O-N 3.14Å; E568-R570 VanDerWaalsContact C-N 3.26Å; E568-R570 PolarHBondContact O-N 2.83Å; R570-E572 PolarHBondContact O-N 3.29Å; R570-G574 WeakPolarHBondContact O-CA 3.41Å; R570-G574 PolarHBondContact O-N 2.98Å; R570-D575 HydrophobicContact CG-CB 4.18Å; R570-D575 IonicContact CZ-OD1 3.75Å; R570-D575 IonicContact NE-OD1 3.76Å; R570-D575 PolarHBondContact NE-OD1 3.29Å; R570-D575 IonicContact NH2-OD1 2.99Å
571	D	88.3	Confident	90.3	Very high	45 Å²	45	44.2 Å²	44.2	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-26.5	176.6	-86.5	-4.3	0	0	0	112.2	R231 T232 R490 D569	R231-D571 HydrophobicContact CB-CB 4.02Å; T232-D571 HydrophobicContact CG2-CB 4.44Å; T232-D571 WeakPolarHBondContact CG2-OD2 3.47Å; T232-D571 PolarHBondContact OG1-OD2 3.5Å; R490-D571 PolarHBondContact NE-O 3.05Å; R490-D571 PolarHBondContact NH2-O 3.05Å; D569-D571 PolarHBondContact O-N 3.06Å
572	E	92.9	Very high	90.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-90.9	-49.7	-179.7	-176.2	68.1	-170.7	0	0	112.3	A447 Y448 H486 V491 K494 D569 R570	A447-E572 WeakPolarHBondContact CA-OE1 3.32Å; Y448-E572 HydrophobicContact CD1-CB 3.79Å; Y448-E572 HydrophobicContact CD1-CG 3.53Å; Y448-E572 HydrophobicContact CE1-CB 3.63Å; Y448-E572 HydrophobicContact CE1-CG 3.46Å; Y448-E572 VanDerWaalsContact CE1-CG 3.46Å; Y448-E572 HydrophobicContact CG-CG 4.42Å; Y448-E572 VanDerWaalsContact N-CD 3.31Å; Y448-E572 PolarHBondContact N-OE1 2.83Å; Y448-E572 PolarHBondContact N-OE2 2.92Å; H486-E572 IonicContact CD2-OE2 2.93Å; H486-E572 IonicContact CE1-OE2 3.48Å; H486-E572 IonicContact NE2-OE1 3.55Å; H486-E572 IonicContact NE2-OE2 2.99Å; H486-E572 PolarHBondContact NE2-OE2 3.15Å; V491-E572 PolarHBondContact N-O 3.46Å; K494-E572 WeakPolarHBondContact CE-O 3.37Å; K494-E572 WeakPolarHBondContact CE-OE1 3.42Å; K494-E572 IonicContact NZ-OE1 3.69Å; K494-E572 PolarHBondContact NZ-OE1 3.02Å; D569-E572 PolarHBondContact O-N 3.25Å; R570-E572 PolarHBondContact O-N 3.29Å
573	W	94.9	Very high	91.4	Very high	2 Å²	2	42 Å²	42	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-105.2	-25.6	-169.6	-48.1	101.9	0	0	0	113.6	A447 Y448 K494 A526 V529 F551 V554 M558 D569 I586 Y589	A447-W573 HydrophobicContact CB-CH2 4.35Å; Y448-W573 AromaticContact CE1-NE1 3.99Å; Y448-W573 HydrophobicContact CE2-CZ2 4.46Å; Y448-W573 AromaticContact CZ-CZ2 3.94Å; Y448-W573 AromaticContact CZ-NE1 3.91Å; Y448-W573 PolarHBondContact OH-NE1 3.42Å; K494-W573 HydrophobicContact CD-CE3 3.63Å; K494-W573 HydrophobicContact CD-CZ3 3.64Å; K494-W573 HydrophobicContact CG-CE3 4.3Å; A526-W573 HydrophobicContact CB-CH2 3.92Å; A526-W573 HydrophobicContact CB-CZ2 3.63Å; V529-W573 HydrophobicContact CB-CH2 4.15Å; V529-W573 HydrophobicContact CB-CZ3 4.17Å; V529-W573 HydrophobicContact CG1-CH2 4.47Å; V529-W573 HydrophobicContact CG1-CZ3 3.98Å; V529-W573 HydrophobicContact CG2-CH2 3.76Å; V529-W573 HydrophobicContact CG2-CZ3 4Å; F551-W573 HydrophobicContact CD1-CH2 4.3Å; F551-W573 AromaticContact CD1-CZ2 3.82Å; F551-W573 HydrophobicContact CD1-CZ2 3.82Å; F551-W573 HydrophobicContact CE1-CD2 4.21Å; F551-W573 AromaticContact CE1-CE2 3.68Å; F551-W573 AromaticContact CE1-CZ2 3.89Å; F551-W573 HydrophobicContact CE1-CZ2 3.89Å; F551-W573 AromaticContact CE1-NE1 3.73Å; V554-W573 HydrophobicContact CG1-CB 4.22Å; V554-W573 HydrophobicContact CG1-CD2 4.12Å; V554-W573 HydrophobicContact CG1-CE3 4.08Å; V554-W573 HydrophobicContact CG1-CG 4.17Å; M558-W573 HydrophobicContact CG-CB 4.32Å; M558-W573 HydrophobicContact SD-CB 3.59Å; M558-W573 VanDerWaalsContact SD-CB 3.59Å; M558-W573 VanDerWaalsContact SD-CD1 3.59Å; M558-W573 HydrophobicContact SD-CG 3.9Å; D569-W573 VanDerWaalsContact O-CD1 3.25Å; D569-W573 PolarHBondContact O-N 3.3Å; D569-W573 PolarHBondContact OD2-NE1 3.01Å; W573-I586 WeakPolarHBondContact O-CD1 3.43Å; W573-I586 VanDerWaalsContact O-CG1 3.25Å; W573-I586 WeakPolarHBondContact O-CG1 3.21Å; W573-Y589 HydrophobicContact CE3-CE2 4.34Å; W573-Y589 HydrophobicContact CZ3-CE2 4.48Å
574	G	94.2	Very high	91.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.			trans	109.1	155.8	-175.6	0	0	0	0	0	113.6	R570 A576	R570-G574 WeakPolarHBondContact O-CA 3.41Å; R570-G574 PolarHBondContact O-N 2.98Å; G574-A576 PolarHBondContact O-N 2.91Å
575	D	94.3	Very high	92.7	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.203	24%	0.241	C	C	.	.			trans	-82.2	95.3	173.4	-174.9	5.1	0	0	0	112.5	R570 V577 G578 N579 H582	R570-D575 HydrophobicContact CG-CB 4.18Å; R570-D575 IonicContact CZ-OD1 3.75Å; R570-D575 IonicContact NE-OD1 3.76Å; R570-D575 PolarHBondContact NE-OD1 3.29Å; R570-D575 IonicContact NH2-OD1 2.99Å; D575-V577 PolarHBondContact O-N 2.82Å; D575-V577 PolarHBondContact OD1-N 2.76Å; D575-V577 VanDerWaalsContact OD1-N 3.12Å; D575-G578 VanDerWaalsContact CG-N 3.27Å; D575-G578 PolarHBondContact OD1-N 3.27Å; D575-G578 VanDerWaalsContact OD2-CA 3.28Å; D575-G578 WeakPolarHBondContact OD2-CA 3.05Å; D575-G578 PolarHBondContact OD2-N 3.3Å; D575-N579 WeakPolarHBondContact O-CB 3.43Å; D575-N579 PolarHBondContact O-N 2.97Å; D575-H582 PolarHBondContact N-ND1 2.93Å; D575-H582 VanDerWaalsContact N-ND1 3.2Å
576	A	94.8	Very high	93.2	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.5	179.6	0	0	0	0	0	114.3	L555 M558 E559 G574 R583 I586	L555-A576 HydrophobicContact CD1-CB 4.15Å; M558-A576 HydrophobicContact CB-CB 3.92Å; E559-A576 HydrophobicContact CG-CB 4.21Å; G574-A576 PolarHBondContact O-N 2.91Å; A576-R583 HydrophobicContact CB-CB 4.44Å; A576-I586 HydrophobicContact CB-CD1 3.9Å
577	V	94.1	Very high	93.7	Very high	89 Å²	89	44 Å²	44	54%	0.539	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-49	-178.7	-178.2	0	0	0	0	110.3	E559 D575	E559-V577 WeakPolarHBondContact O-CG2 3.37Å; D575-V577 PolarHBondContact O-N 2.82Å; D575-V577 PolarHBondContact OD1-N 2.76Å; D575-V577 VanDerWaalsContact OD1-N 3.12Å
578	G	94.1	Very high	94.2	Very high	56 Å²	56	44.3 Å²	44.3	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.8	-176.4	0	0	0	0	0	114.8	D575	D575-G578 VanDerWaalsContact CG-N 3.27Å; D575-G578 PolarHBondContact OD1-N 3.27Å; D575-G578 VanDerWaalsContact OD2-CA 3.28Å; D575-G578 WeakPolarHBondContact OD2-CA 3.05Å; D575-G578 PolarHBondContact OD2-N 3.3Å
579	N	95.7	Very high	94.7	Very high	52 Å²	52	43.4 Å²	43.4	28%	0.278	25%	0.247	S	C	.	.			trans	-134.5	108	-176.8	-172.2	-23.5	0	0	0	112.7	D575 N581 H582 R583	D575-N579 WeakPolarHBondContact O-CB 3.43Å; D575-N579 PolarHBondContact O-N 2.97Å; N579-N581 VanDerWaalsContact C-N 3.28Å; N579-N581 PolarHBondContact O-N 3.08Å; N579-N581 WeakPolarHBondContact OD1-CB 3.42Å; N579-N581 PolarHBondContact OD1-N 2.95Å; N579-H582 HydrophobicContact CB-CB 3.99Å; N579-H582 PolarHBondContact ND2-CD2 3.23Å; N579-H582 PolarHBondContact ND2-CE1 3.22Å; N579-H582 VanDerWaalsContact ND2-CE1 3.35Å; N579-H582 PolarHBondContact ND2-NE2 2.81Å; N579-H582 WeakPolarHBondContact O-CB 3.37Å; N579-H582 PolarHBondContact O-N 2.99Å; N579-H582 VanDerWaalsContact O-N 3.11Å; N579-H582 PolarHBondContact OD1-N 3.48Å; N579-R583 PolarHBondContact O-N 2.93Å
580	P	95.6	Very high	95	Very high	94 Å²	94	42.8 Å²	42.8	61%	0.61	24%	0.244	S	C	*	.	H	α-helix	trans	-57.8	-34.7	177.6	-26.4	35	0	0	0	114.5	R583 D584	P580-R583 WeakPolarHBondContact O-CB 2.89Å; P580-R583 PolarHBondContact O-N 3.2Å; P580-D584 PolarHBondContact O-N 2.83Å
581	N	96.5	Very high	95.4	Very high	79 Å²	79	39.2 Å²	39.2	42%	0.422	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-43	176.7	-176.1	52.6	0	0	0	110.9	N579 R583 D584 I585	N579-N581 VanDerWaalsContact C-N 3.28Å; N579-N581 PolarHBondContact O-N 3.08Å; N579-N581 WeakPolarHBondContact OD1-CB 3.42Å; N579-N581 PolarHBondContact OD1-N 2.95Å; N581-R583 VanDerWaalsContact C-N 3.32Å; N581-R583 PolarHBondContact O-N 3.13Å; N581-D584 PolarHBondContact O-N 2.66Å; N581-I585 WeakPolarHBondContact O-CB 3.03Å; N581-I585 WeakPolarHBondContact O-CD1 3.46Å; N581-I585 VanDerWaalsContact O-CG1 3.27Å; N581-I585 WeakPolarHBondContact O-CG1 3.34Å; N581-I585 PolarHBondContact O-N 3.29Å
582	H	96.8	Very high	95.8	Very high	39 Å²	39	37.5 Å²	37.5	18%	0.181	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-41.6	174.7	-66.1	174.4	0	0	0	111.4	V491 D575 N579 D584 I585 I586	V491-H582 VanDerWaalsContact CG1-CD2 3.48Å; V491-H582 WeakPolarHBondContact CG1-CD2 3.32Å; V491-H582 WeakPolarHBondContact CG1-NE2 3.45Å; D575-H582 PolarHBondContact N-ND1 2.93Å; D575-H582 VanDerWaalsContact N-ND1 3.2Å; N579-H582 HydrophobicContact CB-CB 3.99Å; N579-H582 PolarHBondContact ND2-CD2 3.23Å; N579-H582 PolarHBondContact ND2-CE1 3.22Å; N579-H582 VanDerWaalsContact ND2-CE1 3.35Å; N579-H582 PolarHBondContact ND2-NE2 2.81Å; N579-H582 WeakPolarHBondContact O-CB 3.37Å; N579-H582 PolarHBondContact O-N 2.99Å; N579-H582 VanDerWaalsContact O-N 3.11Å; N579-H582 PolarHBondContact OD1-N 3.48Å; H582-D584 PolarHBondContact O-N 2.89Å; H582-I585 PolarHBondContact O-N 3.26Å; H582-I586 WeakPolarHBondContact O-CB 3.41Å; H582-I586 WeakPolarHBondContact O-CD1 3.47Å; H582-I586 WeakPolarHBondContact O-CG1 3.36Å; H582-I586 PolarHBondContact O-N 2.84Å
583	R	96.7	Very high	96.1	Very high	106 Å²	106	42.1 Å²	42.1	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-56.3	-48.8	174.6	-173.7	-162.6	173.8	89.5	14.4	111.7	L555 E559 A576 N579 P580 N581 I586 A587	L555-R583 HydrophobicContact CD1-CG 3.93Å; E559-R583 IonicContact OE1-CZ 2.71Å; E559-R583 IonicContact OE1-NH1 3.17Å; E559-R583 PolarHBondContact OE1-NH1 2.53Å; E559-R583 IonicContact OE1-NH2 3.44Å; E559-R583 PolarHBondContact OE1-NH2 2.86Å; A576-R583 HydrophobicContact CB-CB 4.44Å; N579-R583 PolarHBondContact O-N 2.93Å; P580-R583 WeakPolarHBondContact O-CB 2.89Å; P580-R583 PolarHBondContact O-N 3.2Å; N581-R583 VanDerWaalsContact C-N 3.32Å; N581-R583 PolarHBondContact O-N 3.13Å; R583-I586 PolarHBondContact O-N 3.34Å; R583-A587 VanDerWaalsContact O-CB 3.31Å; R583-A587 WeakPolarHBondContact O-CB 3.3Å; R583-A587 PolarHBondContact O-N 2.89Å
584	D	96.3	Very high	96.2	Very high	107 Å²	107	44.4 Å²	44.4	57%	0.572	26%	0.255	S	S	*	.	H	α-helix	trans	-64.5	-40.3	179.4	-71.2	-17.9	0	0	0	111.7	P580 N581 H582 A587 S588	P580-D584 PolarHBondContact O-N 2.83Å; N581-D584 PolarHBondContact O-N 2.66Å; H582-D584 PolarHBondContact O-N 2.89Å; D584-A587 PolarHBondContact O-N 2.87Å; D584-S588 PolarHBondContact O-N 3.13Å
585	I	96.1	Very high	96.4	Very high	28 Å²	28	45.8 Å²	45.8	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-51.8	174.1	-72.5	158.9	0	0	0	110.7	V491 E492 N581 H582 A587 S588 Y589	V491-I585 WeakPolarHBondContact O-CG2 3.47Å; E492-I585 HydrophobicContact CB-CD1 4.15Å; E492-I585 HydrophobicContact CG-CD1 3.84Å; N581-I585 WeakPolarHBondContact O-CB 3.03Å; N581-I585 WeakPolarHBondContact O-CD1 3.46Å; N581-I585 VanDerWaalsContact O-CG1 3.27Å; N581-I585 WeakPolarHBondContact O-CG1 3.34Å; N581-I585 PolarHBondContact O-N 3.29Å; H582-I585 PolarHBondContact O-N 3.26Å; I585-A587 VanDerWaalsContact C-N 3.29Å; I585-A587 PolarHBondContact O-N 3.4Å; I585-S588 WeakPolarHBondContact O-CB 3.47Å; I585-S588 PolarHBondContact O-N 3.01Å; I585-S588 VanDerWaalsContact O-N 3.09Å; I585-S588 PolarHBondContact O-OG 2.67Å; I585-Y589 HydrophobicContact CG2-CE1 4.14Å; I585-Y589 WeakPolarHBondContact O-CD1 3.31Å; I585-Y589 WeakPolarHBondContact O-CE1 3.38Å
586	I	97.1	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-45	178.5	-65.4	161.6	0	0	0	110.1	V554 L555 M558 W573 A576 H582 R583 S588 Y589 C590	V554-I586 HydrophobicContact CB-CG2 4.04Å; V554-I586 HydrophobicContact CG1-CG2 3.69Å; L555-I586 HydrophobicContact CB-CG2 3.89Å; L555-I586 HydrophobicContact CD1-CB 4.34Å; L555-I586 HydrophobicContact CD1-CG2 4.09Å; M558-I586 HydrophobicContact CB-CD1 4.34Å; M558-I586 HydrophobicContact CG-CD1 4.48Å; W573-I586 WeakPolarHBondContact O-CD1 3.43Å; W573-I586 VanDerWaalsContact O-CG1 3.25Å; W573-I586 WeakPolarHBondContact O-CG1 3.21Å; A576-I586 HydrophobicContact CB-CD1 3.9Å; H582-I586 WeakPolarHBondContact O-CB 3.41Å; H582-I586 WeakPolarHBondContact O-CD1 3.47Å; H582-I586 WeakPolarHBondContact O-CG1 3.36Å; H582-I586 PolarHBondContact O-N 2.84Å; R583-I586 PolarHBondContact O-N 3.34Å; I586-S588 PolarHBondContact O-N 3.21Å; I586-Y589 PolarHBondContact O-N 2.92Å; I586-C590 WeakPolarHBondContact O-CB 3.21Å; I586-C590 PolarHBondContact O-N 3.35Å
587	A	97	Very high	96.7	Very high	32 Å²	32	49.7 Å²	49.7	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-32.8	177.8	0	0	0	0	0	112.8	L555 R583 D584 I585 Y589 N594	L555-A587 HydrophobicContact CD2-CB 3.99Å; R583-A587 VanDerWaalsContact O-CB 3.31Å; R583-A587 WeakPolarHBondContact O-CB 3.3Å; R583-A587 PolarHBondContact O-N 2.89Å; D584-A587 PolarHBondContact O-N 2.87Å; I585-A587 VanDerWaalsContact C-N 3.29Å; I585-A587 PolarHBondContact O-N 3.4Å; A587-Y589 VanDerWaalsContact C-N 3.3Å; A587-Y589 PolarHBondContact O-N 2.85Å; A587-N594 PolarHBondContact O-ND2 2.99Å
588	S	95.8	Very high	96.7	Very high	52 Å²	52	47.1 Å²	47.1	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-25.2	-177.3	79.1	0	0	0	0	114.9	D584 I585 I586	D584-S588 PolarHBondContact O-N 3.13Å; I585-S588 WeakPolarHBondContact O-CB 3.47Å; I585-S588 PolarHBondContact O-N 3.01Å; I585-S588 VanDerWaalsContact O-N 3.09Å; I585-S588 PolarHBondContact O-OG 2.67Å; I586-S588 PolarHBondContact O-N 3.21Å
589	Y	95.6	Very high	96.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-123.2	-13.6	-179.2	69.7	-97.3	0	0	0	114.1	K494 V529 V554 W573 I585 I586 A587 P591	K494-Y589 HydrophobicContact CB-CD1 4.01Å; K494-Y589 HydrophobicContact CB-CE1 3.43Å; K494-Y589 VanDerWaalsContact CB-CE1 3.43Å; K494-Y589 HydrophobicContact CB-CE2 4.25Å; K494-Y589 HydrophobicContact CG-CE1 4.16Å; V529-Y589 HydrophobicContact CG1-CD2 3.9Å; V529-Y589 HydrophobicContact CG1-CE2 3.85Å; V554-Y589 HydrophobicContact CG1-CE2 4.48Å; W573-Y589 HydrophobicContact CE3-CE2 4.34Å; W573-Y589 HydrophobicContact CZ3-CE2 4.48Å; I585-Y589 HydrophobicContact CG2-CE1 4.14Å; I585-Y589 WeakPolarHBondContact O-CD1 3.31Å; I585-Y589 WeakPolarHBondContact O-CE1 3.38Å; I586-Y589 PolarHBondContact O-N 2.92Å; A587-Y589 VanDerWaalsContact C-N 3.3Å; A587-Y589 PolarHBondContact O-N 2.85Å; Y589-P591 WeakPolarHBondContact O-CD 3.21Å; Y589-P591 VanDerWaalsContact O-N 3.13Å
590	C	97.9	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.			trans	-50	120	-177.1	179.5	0	0	0	0	111.1	V554 L555 I586 L592 H593 N594	V554-C590 HydrophobicContact CB-CB 4.48Å; V554-C590 PolarHBondContact N-SG 3.34Å; V554-C590 VanDerWaalsContact N-SG 3.36Å; L555-C590 HydrophobicContact CB-CB 4.33Å; L555-C590 PolarHBondContact N-SG 2.98Å; I586-C590 WeakPolarHBondContact O-CB 3.21Å; I586-C590 PolarHBondContact O-N 3.35Å; C590-L592 PolarHBondContact O-N 2.89Å; C590-H593 HydrophobicContact CB-CB 4.21Å; C590-H593 PolarHBondContact O-N 2.95Å; C590-H593 PolarHBondContact SG-ND1 2.84Å; C590-N594 PolarHBondContact N-ND2 3.3Å; C590-N594 PolarHBondContact O-N 2.89Å; C590-N594 PolarHBondContact O-ND2 3.17Å
591	P	98.2	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-46.5	-172.5	-28.7	34.9	0	0	0	113.9	V529 A532 N536 L552 Y589 H593 I595 Y622	V529-P591 HydrophobicContact CG1-CG 4.3Å; A532-P591 HydrophobicContact CB-CB 3.61Å; A532-P591 HydrophobicContact CB-CG 3.84Å; N536-P591 PolarHBondContact ND2-O 3.23Å; L552-P591 HydrophobicContact CD2-CB 4.21Å; Y589-P591 WeakPolarHBondContact O-CD 3.21Å; Y589-P591 VanDerWaalsContact O-N 3.13Å; P591-H593 PolarHBondContact O-N 3.36Å; P591-I595 WeakPolarHBondContact O-CG1 3.2Å; P591-Y622 HydrophobicContact CB-CD2 4.31Å; P591-Y622 HydrophobicContact CB-CE2 3.77Å
592	L	98.4	Very high	96.8	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-43.5	179.8	-179.2	67	0	0	0	113.3	L552 D553 C590 N594 I595 K621 Y622 Y625	L552-L592 WeakPolarHBondContact O-CB 2.9Å; L552-L592 PolarHBondContact O-N 3.33Å; D553-L592 HydrophobicContact CB-CB 4.35Å; D553-L592 HydrophobicContact CB-CD2 3.76Å; D553-L592 WeakPolarHBondContact OD2-CD2 3.46Å; C590-L592 PolarHBondContact O-N 2.89Å; L592-N594 VanDerWaalsContact C-N 3.34Å; L592-I595 HydrophobicContact CD1-CD1 4.23Å; L592-I595 WeakPolarHBondContact O-CG1 3.24Å; L592-K621 HydrophobicContact CD1-CB 3.9Å; L592-K621 HydrophobicContact CD2-CB 4.02Å; L592-K621 HydrophobicContact CD2-CD 4.23Å; L592-Y622 HydrophobicContact CB-CD2 4.36Å; L592-Y622 HydrophobicContact CD1-CD2 4.34Å; L592-Y625 HydrophobicContact CD1-CD2 3.72Å; L592-Y625 HydrophobicContact CD1-CE2 4.32Å; L592-Y625 HydrophobicContact CD1-CG 4.44Å; L592-Y625 HydrophobicContact CG-CD2 4.42Å
593	H	97.4	Very high	96.8	Very high	97 Å²	97	36.2 Å²	36.2	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.4	-171.9	-70.7	86.4	0	0	0	113.3	D553 C590 P591	D553-H593 IonicContact OD1-CE1 3.35Å; D553-H593 PolarHBondContact OD1-CE1 3.17Å; D553-H593 IonicContact OD1-ND1 2.89Å; C590-H593 HydrophobicContact CB-CB 4.21Å; C590-H593 PolarHBondContact O-N 2.95Å; C590-H593 PolarHBondContact SG-ND1 2.84Å; P591-H593 PolarHBondContact O-N 3.36Å
594	N	98.3	Very high	96.8	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	15.2	-179.5	-72.1	-85.4	0	0	0	113.4	N536 A587 C590 L592 T596	N536-N594 HydrophobicContact CB-CB 4.48Å; A587-N594 PolarHBondContact O-ND2 2.99Å; C590-N594 PolarHBondContact N-ND2 3.3Å; C590-N594 PolarHBondContact O-N 2.89Å; C590-N594 PolarHBondContact O-ND2 3.17Å; L592-N594 VanDerWaalsContact C-N 3.34Å; N594-T596 PolarHBondContact O-N 2.79Å
595	I	98.4	Very high	96.8	Very high	29 Å²	29	26.3 Å²	26.3	15%	0.149	14%	0.144	C	C	.	.			trans	-70.8	123.8	174.6	-62.9	172.3	0	0	0	109.5	P591 L592 Y600 Y622 I626 A629	P591-I595 WeakPolarHBondContact O-CG1 3.2Å; L592-I595 HydrophobicContact CD1-CD1 4.23Å; L592-I595 WeakPolarHBondContact O-CG1 3.24Å; I595-Y600 WeakPolarHBondContact CA-OH 3.33Å; I595-Y622 HydrophobicContact CD1-CD2 3.79Å; I595-Y622 HydrophobicContact CD1-CE2 3.89Å; I595-Y622 HydrophobicContact CD1-CG 4.34Å; I595-Y622 HydrophobicContact CG1-CE2 4.23Å; I595-I626 HydrophobicContact CD1-CB 4.3Å; I595-A629 HydrophobicContact CG2-CB 3.52Å
596	T	97.6	Very high	96.6	Very high	68 Å²	68	25.4 Å²	25.4	42%	0.417	14%	0.14	S	C	.	.			trans	-125.9	159.5	177.3	65.9	0	0	0	0	111.2	N594 Q598 Y600 A629	N594-T596 PolarHBondContact O-N 2.79Å; T596-Q598 VanDerWaalsContact C-N 3.35Å; T596-Q598 WeakPolarHBondContact O-CG 3.37Å; T596-Q598 PolarHBondContact O-N 3.48Å; T596-Y600 PolarHBondContact N-OH 3.05Å; T596-Y600 WeakPolarHBondContact O-CE2 3.31Å; T596-A629 WeakPolarHBondContact O-CB 3.45Å
597	P	97.2	Very high	96.4	Very high	55 Å²	55	25.6 Å²	25.6	36%	0.357	14%	0.141	S	C	.	.	S	Bend	trans	-64.8	86.8	175	-24.6	36.3	0	0	0	113.7	T632 H633	P597-T632 HydrophobicContact CB-CG2 3.96Å; P597-T632 HydrophobicContact CG-CG2 4.03Å; P597-H633 PolarHBondContact O-ND1 3.46Å
598	Q	94.8	Very high	96	Very high	36 Å²	36	24.2 Å²	24.2	17%	0.168	13%	0.129	C	C	.	.	S	Bend	trans	-139.9	176.3	178.4	62.2	-177.2	-8.7	0	0	112	N536 T596 Y600 H633	N536-Q598 PolarHBondContact O-NE2 3.05Å; T596-Q598 VanDerWaalsContact C-N 3.35Å; T596-Q598 WeakPolarHBondContact O-CG 3.37Å; T596-Q598 PolarHBondContact O-N 3.48Å; Q598-Y600 HydrophobicContact CG-CD2 3.96Å; Q598-Y600 HydrophobicContact CG-CE1 4.48Å; Q598-Y600 HydrophobicContact CG-CE2 3.39Å; Q598-Y600 VanDerWaalsContact NE2-CZ 3.34Å; Q598-Y600 PolarHBondContact NE2-OH 3.15Å; Q598-Y600 VanDerWaalsContact NE2-OH 3.11Å; Q598-H633 WeakPolarHBondContact CA-ND1 3.4Å
599	R	91.9	Very high	95.5	Very high	71 Å²	71	24.9 Å²	24.9	27%	0.268	13%	0.134	S	C	.	.			trans	-72.9	149.4	163.9	-73.7	-168.9	175.2	167.7	-1.5	109.6	P539 E643	P539-R599 WeakPolarHBondContact CB-O 3.21Å; P539-R599 VanDerWaalsContact CG-O 3.27Å; P539-R599 WeakPolarHBondContact CG-O 3.31Å; R599-E643 IonicContact CZ-OE1 2.76Å; R599-E643 IonicContact CZ-OE2 3.8Å; R599-E643 IonicContact NH1-OE1 3.61Å; R599-E643 PolarHBondContact NH1-OE1 2.55Å; R599-E643 IonicContact NH1-OE2 3.79Å; R599-E643 PolarHBondContact NH1-OE2 3.12Å; R599-E643 IonicContact NH2-OE1 3.23Å; R599-E643 PolarHBondContact NH2-OE1 2.89Å; R599-E643 VanDerWaalsContact NH2-OE1 3.17Å; R599-E643 IonicContact NH2-OE2 2.92Å
600	Y	96.7	Very high	94.8	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.043	15%	0.151	C	C	.	.			trans	-133.1	156.7	176.6	-79.4	-85.2	0	0	0	109	C535 N536 I595 T596 Q598 M603 I626 A629 I630 P646	C535-Y600 HydrophobicContact CB-CD1 4.31Å; C535-Y600 WeakPolarHBondContact O-CE1 3.37Å; N536-Y600 WeakPolarHBondContact OD1-CE1 3.48Å; N536-Y600 PolarHBondContact OD1-OH 3.11Å; I595-Y600 WeakPolarHBondContact CA-OH 3.33Å; T596-Y600 PolarHBondContact N-OH 3.05Å; T596-Y600 WeakPolarHBondContact O-CE2 3.31Å; Q598-Y600 HydrophobicContact CG-CD2 3.96Å; Q598-Y600 HydrophobicContact CG-CE1 4.48Å; Q598-Y600 HydrophobicContact CG-CE2 3.39Å; Q598-Y600 VanDerWaalsContact NE2-CZ 3.34Å; Q598-Y600 PolarHBondContact NE2-OH 3.15Å; Q598-Y600 VanDerWaalsContact NE2-OH 3.11Å; Y600-M603 HydrophobicContact CD1-CE 3.92Å; Y600-I626 HydrophobicContact CD1-CD1 3.66Å; Y600-I626 HydrophobicContact CD1-CG1 4.09Å; Y600-I626 HydrophobicContact CD2-CD1 4.3Å; Y600-I626 HydrophobicContact CD2-CG1 3.85Å; Y600-I626 HydrophobicContact CE1-CD1 4.03Å; Y600-I626 HydrophobicContact CE1-CG1 4.25Å; Y600-I626 HydrophobicContact CE2-CG1 4.03Å; Y600-I626 HydrophobicContact CG-CD1 3.8Å; Y600-I626 HydrophobicContact CG-CG1 3.87Å; Y600-A629 HydrophobicContact CE2-CB 4.4Å; Y600-I630 HydrophobicContact CD2-CD1 4.36Å; Y600-I630 HydrophobicContact CD2-CG1 3.78Å; Y600-I630 HydrophobicContact CG-CG1 4.42Å; Y600-P646 WeakPolarHBondContact O-CB 3.38Å; Y600-P646 WeakPolarHBondContact O-CG 3.48Å
601	P	97.3	Very high	94.3	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.039	16%	0.156	C	C	.	.			trans	-64.2	161.2	167.9	29.3	-34.9	0	0	0	110.3	C535 M542 R543 V545 M603	C535-P601 HydrophobicContact CB-CG 4.32Å; M542-P601 HydrophobicContact CG-CB 3.92Å; M542-P601 HydrophobicContact CG-CG 3.99Å; M542-P601 HydrophobicContact SD-CG 4.3Å; R543-P601 WeakPolarHBondContact O-CB 3.3Å; V545-P601 HydrophobicContact CG2-CB 4.33Å; V545-P601 HydrophobicContact CG2-CG 3.91Å; P601-M603 HydrophobicContact CG-CE 3.77Å; P601-M603 WeakPolarHBondContact O-CG 2.93Å
602	S	97.6	Very high	93.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139.3	168.3	-65.8	0	0	0	0	109.2	R543 A544 V545 S647 E682	R543-S602 PolarHBondContact O-N 3.06Å; R543-S602 VanDerWaalsContact O-N 3.09Å; A544-S602 CarbonylContact C-O 3.56Å; A544-S602 VanDerWaalsContact CA-O 3.23Å; A544-S602 WeakPolarHBondContact CA-O 3.03Å; V545-S602 PolarHBondContact N-O 2.98Å; S602-S647 CarbonylContact C-O 3.58Å; S602-S647 VanDerWaalsContact CA-O 3.24Å; S602-S647 WeakPolarHBondContact CA-O 3.38Å; S602-S647 WeakPolarHBondContact CB-O 3.49Å; S602-S647 PolarHBondContact OG-N 2.78Å; S602-E682 VanDerWaalsContact CB-CD 3.49Å; S602-E682 WeakPolarHBondContact CB-OE2 3.14Å; S602-E682 VanDerWaalsContact OG-CD 3.28Å; S602-E682 PolarHBondContact OG-OE2 2.83Å
603	M	97.5	Very high	92.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.2	-175.9	-59	-172.7	-177.5	0	0	112.2	C535 V545 Y600 P601 L605 Y622 I626 S647 I648 V649	C535-M603 HydrophobicContact CB-CE 3.63Å; V545-M603 HydrophobicContact CB-CG 4.43Å; V545-M603 WeakPolarHBondContact O-CA 3.4Å; Y600-M603 HydrophobicContact CD1-CE 3.92Å; P601-M603 HydrophobicContact CG-CE 3.77Å; P601-M603 WeakPolarHBondContact O-CG 2.93Å; M603-L605 HydrophobicContact CB-CD2 4.42Å; M603-Y622 HydrophobicContact SD-CE1 4.04Å; M603-I626 HydrophobicContact CE-CD1 3.44Å; M603-I626 VanDerWaalsContact CE-CD1 3.44Å; M603-I626 HydrophobicContact SD-CD1 3.41Å; M603-I626 WeakPolarHBondContact SD-CD1 3.15Å; M603-S647 PolarHBondContact N-O 3.36Å; M603-I648 HydrophobicContact CB-CD1 3.84Å; M603-I648 HydrophobicContact CG-CD1 3.91Å; M603-I648 WeakPolarHBondContact O-CA 3.22Å; M603-I648 HydrophobicContact SD-CD1 4.4Å; M603-V649 PolarHBondContact O-N 3.48Å
604	L	96.4	Very high	92.5	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	162.8	174.8	68.6	0	0	0	108.8	V545 T546 L547 V649 N651 K674 F678	V545-L604 PolarHBondContact O-N 2.89Å; T546-L604 WeakPolarHBondContact CA-O 3.23Å; T546-L604 HydrophobicContact CG2-CB 4.17Å; T546-L604 HydrophobicContact CG2-CD2 4.18Å; L547-L604 PolarHBondContact N-O 3.29Å; L604-V649 WeakPolarHBondContact CA-O 3.42Å; L604-V649 HydrophobicContact CD1-CB 3.85Å; L604-V649 HydrophobicContact CD1-CG1 3.68Å; L604-N651 HydrophobicContact CD1-CB 4.4Å; L604-K674 VanDerWaalsContact CD2-C 3.46Å; L604-K674 HydrophobicContact CD2-CB 4.15Å; L604-K674 WeakPolarHBondContact CD2-O 3.25Å; L604-F678 HydrophobicContact CB-CD1 3.83Å; L604-F678 HydrophobicContact CB-CD2 4.39Å; L604-F678 HydrophobicContact CB-CE1 3.8Å; L604-F678 HydrophobicContact CB-CE2 4.36Å; L604-F678 HydrophobicContact CB-CG 4.13Å; L604-F678 HydrophobicContact CB-CZ 4.08Å; L604-F678 HydrophobicContact CD2-CD1 4.47Å
605	L	96.1	Very high	92.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.4	176.2	-52.4	177.5	0	0	0	108.3	L547 L552 M603 V619 Y622 A623 V649 L650 N651	L547-L605 HydrophobicContact CB-CD2 4.03Å; L547-L605 HydrophobicContact CD1-CD2 3.8Å; L547-L605 HydrophobicContact CG-CD2 4.21Å; L552-L605 HydrophobicContact CD1-CD2 4.42Å; M603-L605 HydrophobicContact CB-CD2 4.42Å; L605-V619 HydrophobicContact CB-CG1 4.42Å; L605-Y622 HydrophobicContact CD1-CD1 3.92Å; L605-Y622 HydrophobicContact CD1-CE1 4.41Å; L605-A623 HydrophobicContact CD1-CB 3.89Å; L605-V649 PolarHBondContact N-O 3.01Å; L605-L650 HydrophobicContact CB-CD1 3.9Å; L605-N651 PolarHBondContact O-N 2.75Å
606	T	92.7	Very high	91.8	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.4	173	-66.8	0	0	0	0	109.3	L547 Q548 A549 P550 Y608 N651 Q653	L547-T606 PolarHBondContact O-N 3.23Å; Q548-T606 CarbonylContact C-O 3.55Å; A549-T606 PolarHBondContact N-O 3.38Å; P550-T606 VanDerWaalsContact CD-O 3.29Å; P550-T606 WeakPolarHBondContact CD-O 3.19Å; T606-Y608 HydrophobicContact CG2-CE1 3.84Å; T606-Y608 HydrophobicContact CG2-CE2 4.43Å; T606-N651 CarbonylContact C-O 3.57Å; T606-N651 WeakPolarHBondContact CA-O 3.36Å; T606-N651 WeakPolarHBondContact CG2-ND2 3.22Å; T606-N651 PolarHBondContact OG1-ND2 2.99Å; T606-Q653 HydrophobicContact CG2-CG 4.38Å
607	A	91.8	Very high	91.6	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.7	176.4	0	0	0	0	0	110.5	L616 V619 N651 V652 Q653	A607-L616 HydrophobicContact CB-CD1 3.69Å; A607-V619 HydrophobicContact CB-CB 4.38Å; A607-V619 HydrophobicContact CB-CG1 4.07Å; A607-V619 HydrophobicContact CB-CG2 4.35Å; A607-N651 PolarHBondContact N-O 2.88Å; A607-V652 CarbonylContact O-C 3.58Å; A607-V652 WeakPolarHBondContact O-CA 3.39Å; A607-Q653 PolarHBondContact O-N 3.2Å
608	Y	87.9	Confident	91.5	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	-175.7	-47.5	-78.4	0	0	0	109.7	Q548 A549 T606 G610 D611 Q653 A656 N657 G660 E670	Q548-Y608 HydrophobicContact CG-CE2 4Å; Q548-Y608 WeakPolarHBondContact CG-OH 3.34Å; Q548-Y608 PolarHBondContact NE2-OH 3.12Å; A549-Y608 HydrophobicContact CB-CD2 4.03Å; A549-Y608 HydrophobicContact CB-CE2 3.97Å; T606-Y608 HydrophobicContact CG2-CE1 3.84Å; T606-Y608 HydrophobicContact CG2-CE2 4.43Å; Y608-G610 PolarHBondContact O-N 2.65Å; Y608-D611 WeakPolarHBondContact O-CB 3.27Å; Y608-D611 PolarHBondContact O-N 3.08Å; Y608-Q653 HydrophobicContact CD1-CB 3.61Å; Y608-Q653 HydrophobicContact CD1-CG 4Å; Y608-Q653 HydrophobicContact CE1-CB 4.07Å; Y608-Q653 HydrophobicContact CE1-CG 3.93Å; Y608-A656 VanDerWaalsContact CB-O 3.32Å; Y608-A656 WeakPolarHBondContact CB-O 3.38Å; Y608-A656 HydrophobicContact CD1-CB 3.5Å; Y608-A656 VanDerWaalsContact CD1-CB 3.5Å; Y608-A656 HydrophobicContact CE1-CB 4.19Å; Y608-A656 HydrophobicContact CG-CB 4.15Å; Y608-N657 VanDerWaalsContact CD2-O 3.26Å; Y608-N657 WeakPolarHBondContact CD2-O 3.32Å; Y608-N657 VanDerWaalsContact CG-O 3.29Å; Y608-G660 VanDerWaalsContact CE1-CA 3.45Å; Y608-G660 WeakPolarHBondContact OH-CA 3.32Å; Y608-E670 PolarHBondContact OH-OE1 3.23Å
609	S	86.3	Confident	91.6	Very high	66 Å²	66	23.4 Å²	23.4	46%	0.462	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.7	-175.8	71.4	0	0	0	0	113.4	Q653 G655	S609-Q653 PolarHBondContact N-O 3.1Å; S609-G655 PolarHBondContact OG-N 3.17Å; S609-G655 VanDerWaalsContact OG-N 3.08Å
610	G	81.6	Confident	91.8	Very high	36 Å²	36	23.7 Å²	23.7	37%	0.371	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	8.3	178.7	0	0	0	0	0	113.8	Y608 P612	Y608-G610 PolarHBondContact O-N 2.65Å; G610-P612 WeakPolarHBondContact O-CD 3.16Å
611	D	85.8	Confident	91.9	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.107	15%	0.153	C	C	.	.			trans	-70.4	112.5	178.9	-172	-16	0	0	0	110.6	Y608 R613 I614 H658	Y608-D611 WeakPolarHBondContact O-CB 3.27Å; Y608-D611 PolarHBondContact O-N 3.08Å; D611-R613 VanDerWaalsContact C-N 3.33Å; D611-R613 WeakPolarHBondContact OD1-CA 3.4Å; D611-R613 WeakPolarHBondContact OD1-CB 3.45Å; D611-R613 PolarHBondContact OD1-N 2.82Å; D611-I614 PolarHBondContact OD1-N 2.85Å; D611-I614 VanDerWaalsContact OD1-N 3.16Å; D611-H658 VanDerWaalsContact CG-ND1 3.35Å; D611-H658 WeakPolarHBondContact OD1-CB 3.34Å; D611-H658 IonicContact OD1-CG 3.72Å; D611-H658 IonicContact OD1-ND1 2.76Å; D611-H658 PolarHBondContact OD1-ND1 3.29Å; D611-H658 IonicContact OD2-CE1 3.63Å; D611-H658 IonicContact OD2-CG 3.66Å; D611-H658 IonicContact OD2-ND1 2.79Å; D611-H658 PolarHBondContact OD2-ND1 2.97Å
612	P	82.1	Confident	91.9	Very high	48 Å²	48	26 Å²	26	31%	0.312	15%	0.151	S	C	.	.	S	Bend	trans	-83.3	-10.8	178.5	33.9	-31.7	0	0	0	112.8	E134 L182 P564 G610	E134-P612 HydrophobicContact CG-CG 3.92Å; L182-P612 HydrophobicContact CD1-CB 4.06Å; L182-P612 HydrophobicContact CD1-CG 4.01Å; L182-P612 HydrophobicContact CD2-CG 4Å; L182-P612 HydrophobicContact CG-CB 4.4Å; L182-P612 HydrophobicContact CG-CG 4.26Å; P564-P612 WeakPolarHBondContact CB-O 3.13Å; P564-P612 WeakPolarHBondContact CG-O 3.46Å; G610-P612 WeakPolarHBondContact O-CD 3.16Å
613	R	86.2	Confident	91.9	Very high	18 Å²	18	26.1 Å²	26.1	7%	0.068	15%	0.152	C	C	.	.	S	Bend	trans	-90.3	-44.5	-174.9	-56.7	-177.4	-176	174.8	-5.4	111.7	V8 E9 L182 L565 D611 H658	V8-R613 PolarHBondContact O-NE 3.09Å; V8-R613 PolarHBondContact O-NH2 3.32Å; E9-R613 PolarHBondContact O-NH1 3.12Å; L182-R613 HydrophobicContact CD1-CG 3.65Å; L565-R613 HydrophobicContact CD1-CB 4.04Å; L565-R613 HydrophobicContact CD1-CG 4.11Å; D611-R613 VanDerWaalsContact C-N 3.33Å; D611-R613 WeakPolarHBondContact OD1-CA 3.4Å; D611-R613 WeakPolarHBondContact OD1-CB 3.45Å; D611-R613 PolarHBondContact OD1-N 2.82Å; R613-H658 HydrophobicContact CG-CB 4.41Å; R613-H658 PolarHBondContact NH1-CD2 2.74Å; R613-H658 VanDerWaalsContact NH1-CD2 3.3Å
614	I	88.4	Confident	91.9	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.087	18%	0.183	C	C	.	.	S	Bend	trans	-112	116.6	-176.5	-58.9	-57.6	0	0	0	110.8	F551 D611 L616 V619	F551-I614 HydrophobicContact CB-CD1 3.74Å; F551-I614 HydrophobicContact CD2-CD1 4.15Å; F551-I614 HydrophobicContact CG-CD1 4.02Å; D611-I614 PolarHBondContact OD1-N 2.85Å; D611-I614 VanDerWaalsContact OD1-N 3.16Å; I614-L616 PolarHBondContact O-N 2.87Å; I614-L616 VanDerWaalsContact O-N 3.14Å; I614-V619 HydrophobicContact CG2-CG2 4.46Å
615	P	89.6	Confident	92	Very high	31 Å²	31	38.1 Å²	38.1	20%	0.201	20%	0.202	C	C	.	.			trans	-61.7	117.9	178.4	-23.6	33.1	0	0	0	112.4	T557 L563 E617 G618	T557-P615 HydrophobicContact CG2-CG 4.48Å; L563-P615 HydrophobicContact CD1-CG 3.77Å; L563-P615 HydrophobicContact CD2-CG 4.44Å; P615-E617 PolarHBondContact O-N 3.42Å; P615-E617 VanDerWaalsContact O-N 3.13Å; P615-G618 PolarHBondContact O-N 2.78Å; P615-G618 VanDerWaalsContact O-N 3.13Å
616	L	91.8	Very high	92.1	Very high	49 Å²	49	38.1 Å²	38.1	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-55.1	-34.2	177.8	-179.6	62.1	0	0	0	112.4	A607 I614 G618 V619 L620 V652	A607-L616 HydrophobicContact CB-CD1 3.69Å; I614-L616 PolarHBondContact O-N 2.87Å; I614-L616 VanDerWaalsContact O-N 3.14Å; L616-G618 VanDerWaalsContact C-N 3.26Å; L616-G618 PolarHBondContact O-N 2.84Å; L616-V619 PolarHBondContact O-N 2.93Å; L616-V619 VanDerWaalsContact O-N 3.1Å; L616-L620 HydrophobicContact CD1-CD2 4.38Å; L616-L620 HydrophobicContact CD1-CG 4.33Å; L616-L620 HydrophobicContact CG-CD1 4.18Å; L616-L620 HydrophobicContact CG-CG 4.1Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 2.96Å; L616-V652 HydrophobicContact CD1-CG1 4.14Å; L616-V652 HydrophobicContact CD1-CG2 4.25Å; L616-V652 HydrophobicContact CD2-CG1 4.14Å
617	E	93.6	Very high	92.2	Very high	89 Å²	89	42.7 Å²	42.7	42%	0.416	22%	0.221	S	C	.	.	H	α-helix	trans	-51.8	-43.5	178.5	-169.9	-169.8	172.7	0	0	112.3	K560 P615 V619 L620 K621	K560-E617 IonicContact NZ-OE2 3.57Å; K560-E617 PolarHBondContact NZ-OE2 3.45Å; K560-E617 VanDerWaalsContact NZ-OE2 3.07Å; P615-E617 PolarHBondContact O-N 3.42Å; P615-E617 VanDerWaalsContact O-N 3.13Å; E617-V619 PolarHBondContact O-N 3.39Å; E617-L620 PolarHBondContact O-N 2.59Å; E617-K621 HydrophobicContact CG-CD 4.39Å; E617-K621 WeakPolarHBondContact O-CG 3.15Å; E617-K621 PolarHBondContact O-N 2.82Å; E617-K621 WeakPolarHBondContact OE1-CE 3.26Å; E617-K621 IonicContact OE1-NZ 3.86Å; E617-K621 PolarHBondContact OE1-NZ 2.74Å
618	G	95.3	Very high	92.5	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-41.3	179.9	0	0	0	0	0	112.3	P615 L616 K621 Y622	P615-G618 PolarHBondContact O-N 2.78Å; P615-G618 VanDerWaalsContact O-N 3.13Å; L616-G618 VanDerWaalsContact C-N 3.26Å; L616-G618 PolarHBondContact O-N 2.84Å; G618-K621 PolarHBondContact O-N 2.88Å; G618-Y622 WeakPolarHBondContact O-CB 3.33Å; G618-Y622 PolarHBondContact O-N 3.29Å
619	V	96.5	Very high	92.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-43.3	178.2	-171.6	0	0	0	0	111.3	P550 L552 L605 A607 I614 L616 E617 K621 Y622 A623 L650	P550-V619 HydrophobicContact CG-CG1 4.07Å; P550-V619 HydrophobicContact CG-CG2 4.08Å; P550-V619 WeakPolarHBondContact O-CG2 3.06Å; L552-V619 HydrophobicContact CD1-CG1 4.32Å; L605-V619 HydrophobicContact CB-CG1 4.42Å; A607-V619 HydrophobicContact CB-CB 4.38Å; A607-V619 HydrophobicContact CB-CG1 4.07Å; A607-V619 HydrophobicContact CB-CG2 4.35Å; I614-V619 HydrophobicContact CG2-CG2 4.46Å; L616-V619 PolarHBondContact O-N 2.93Å; L616-V619 VanDerWaalsContact O-N 3.1Å; E617-V619 PolarHBondContact O-N 3.39Å; V619-K621 PolarHBondContact O-N 2.96Å; V619-Y622 PolarHBondContact O-N 2.81Å; V619-A623 PolarHBondContact O-N 2.99Å; V619-L650 HydrophobicContact CG1-CD1 3.89Å
620	L	96.9	Very high	93.3	Very high	77 Å²	77	47.1 Å²	47.1	40%	0.403	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-45.2	177.1	-64.3	-177.5	0	0	0	111.7	L616 E617 K624 L650 V652	L616-L620 HydrophobicContact CD1-CD2 4.38Å; L616-L620 HydrophobicContact CD1-CG 4.33Å; L616-L620 HydrophobicContact CG-CD1 4.18Å; L616-L620 HydrophobicContact CG-CG 4.1Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 2.96Å; E617-L620 PolarHBondContact O-N 2.59Å; L620-K624 WeakPolarHBondContact O-CB 3.3Å; L620-K624 PolarHBondContact O-N 2.94Å; L620-K624 VanDerWaalsContact O-N 3.08Å; L620-L650 HydrophobicContact CD2-CD2 3.62Å; L620-V652 HydrophobicContact CD2-CG2 4.19Å
621	K	97.9	Very high	93.8	Very high	66 Å²	66	50.9 Å²	50.9	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-45.4	176.3	-75.3	177.1	-176.7	167.2	0	111.2	L592 E617 G618 V619 K624 Y625	L592-K621 HydrophobicContact CD1-CB 3.9Å; L592-K621 HydrophobicContact CD2-CB 4.02Å; L592-K621 HydrophobicContact CD2-CD 4.23Å; E617-K621 HydrophobicContact CG-CD 4.39Å; E617-K621 WeakPolarHBondContact O-CG 3.15Å; E617-K621 PolarHBondContact O-N 2.82Å; E617-K621 WeakPolarHBondContact OE1-CE 3.26Å; E617-K621 IonicContact OE1-NZ 3.86Å; E617-K621 PolarHBondContact OE1-NZ 2.74Å; G618-K621 PolarHBondContact O-N 2.88Å; V619-K621 PolarHBondContact O-N 2.96Å; K621-K624 PolarHBondContact O-N 2.89Å; K621-Y625 WeakPolarHBondContact O-CB 3.32Å; K621-Y625 PolarHBondContact O-N 2.91Å
622	Y	98.3	Very high	94.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-51.5	179.1	-174.7	-86.8	0	0	0	111.5	A532 L552 P591 L592 I595 M603 L605 G618 V619 K624 Y625 I626	A532-Y622 HydrophobicContact CB-CE2 4.45Å; L552-Y622 HydrophobicContact CB-CD2 3.94Å; L552-Y622 HydrophobicContact CB-CG 4.05Å; L552-Y622 HydrophobicContact CD1-CD1 3.7Å; L552-Y622 HydrophobicContact CD1-CD2 4.25Å; L552-Y622 HydrophobicContact CD1-CE1 4.27Å; L552-Y622 HydrophobicContact CD1-CG 3.68Å; L552-Y622 HydrophobicContact CD2-CD2 4.31Å; L552-Y622 HydrophobicContact CD2-CE2 4.26Å; L552-Y622 HydrophobicContact CG-CD2 4.39Å; L552-Y622 HydrophobicContact CG-CG 4.3Å; P591-Y622 HydrophobicContact CB-CD2 4.31Å; P591-Y622 HydrophobicContact CB-CE2 3.77Å; L592-Y622 HydrophobicContact CB-CD2 4.36Å; L592-Y622 HydrophobicContact CD1-CD2 4.34Å; I595-Y622 HydrophobicContact CD1-CD2 3.79Å; I595-Y622 HydrophobicContact CD1-CE2 3.89Å; I595-Y622 HydrophobicContact CD1-CG 4.34Å; I595-Y622 HydrophobicContact CG1-CE2 4.23Å; M603-Y622 HydrophobicContact SD-CE1 4.04Å; L605-Y622 HydrophobicContact CD1-CD1 3.92Å; L605-Y622 HydrophobicContact CD1-CE1 4.41Å; G618-Y622 WeakPolarHBondContact O-CB 3.33Å; G618-Y622 PolarHBondContact O-N 3.29Å; V619-Y622 PolarHBondContact O-N 2.81Å; Y622-K624 VanDerWaalsContact C-N 3.28Å; Y622-K624 PolarHBondContact O-N 3.02Å; Y622-Y625 PolarHBondContact O-N 3.28Å; Y622-I626 HydrophobicContact CE1-CD1 3.89Å; Y622-I626 HydrophobicContact CE1-CG2 4.49Å; Y622-I626 WeakPolarHBondContact O-CG2 3.34Å; Y622-I626 PolarHBondContact O-N 2.73Å
623	A	97.6	Very high	94.7	Very high	4 Å²	4	51 Å²	51	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-39.6	178.5	0	0	0	0	0	112.5	L605 V619 I626 K627 L650	L605-A623 HydrophobicContact CD1-CB 3.89Å; V619-A623 PolarHBondContact O-N 2.99Å; A623-I626 WeakPolarHBondContact O-CG2 3.12Å; A623-K627 WeakPolarHBondContact O-CB 3.37Å; A623-K627 VanDerWaalsContact O-CG 3.25Å; A623-K627 WeakPolarHBondContact O-CG 3.25Å; A623-K627 PolarHBondContact O-N 3.36Å; A623-L650 HydrophobicContact CB-CB 4.26Å; A623-L650 HydrophobicContact CB-CD1 4.4Å; A623-L650 HydrophobicContact CB-CD2 3.94Å; A623-L650 HydrophobicContact CB-CG 4.43Å
624	K	97.8	Very high	94.8	Very high	149 Å²	149	52.7 Å²	52.7	65%	0.648	25%	0.249	S	C	*	.	H	α-helix	trans	-66.8	-47.4	176.7	-179.2	-179.7	178.8	176.6	0	111.8	L620 K621 Y622 K628	L620-K624 WeakPolarHBondContact O-CB 3.3Å; L620-K624 PolarHBondContact O-N 2.94Å; L620-K624 VanDerWaalsContact O-N 3.08Å; K621-K624 PolarHBondContact O-N 2.89Å; Y622-K624 VanDerWaalsContact C-N 3.28Å; Y622-K624 PolarHBondContact O-N 3.02Å; K624-K628 PolarHBondContact O-N 2.91Å; K624-K628 VanDerWaalsContact O-N 3.11Å
625	Y	98.1	Very high	94.7	Very high	109 Å²	109	55.7 Å²	55.7	43%	0.427	27%	0.265	S	S	.	.	H	α-helix	trans	-71.5	-38.6	-174.3	-72.9	-1	0	0	0	112.3	L592 K621 Y622 K628 A629	L592-Y625 HydrophobicContact CD1-CD2 3.72Å; L592-Y625 HydrophobicContact CD1-CE2 4.32Å; L592-Y625 HydrophobicContact CD1-CG 4.44Å; L592-Y625 HydrophobicContact CG-CD2 4.42Å; K621-Y625 WeakPolarHBondContact O-CB 3.32Å; K621-Y625 PolarHBondContact O-N 2.91Å; Y622-Y625 PolarHBondContact O-N 3.28Å; Y625-K628 PolarHBondContact O-N 3.27Å; Y625-A629 WeakPolarHBondContact O-CB 3.45Å; Y625-A629 PolarHBondContact O-N 2.91Å
626	I	97.2	Very high	94.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-42.3	177.1	-156.2	174.4	0	0	0	111.4	I595 Y600 M603 Y622 A623 K628 A629 I630 I648	I595-I626 HydrophobicContact CD1-CB 4.3Å; Y600-I626 HydrophobicContact CD1-CD1 3.66Å; Y600-I626 HydrophobicContact CD1-CG1 4.09Å; Y600-I626 HydrophobicContact CD2-CD1 4.3Å; Y600-I626 HydrophobicContact CD2-CG1 3.85Å; Y600-I626 HydrophobicContact CE1-CD1 4.03Å; Y600-I626 HydrophobicContact CE1-CG1 4.25Å; Y600-I626 HydrophobicContact CE2-CG1 4.03Å; Y600-I626 HydrophobicContact CG-CD1 3.8Å; Y600-I626 HydrophobicContact CG-CG1 3.87Å; M603-I626 HydrophobicContact CE-CD1 3.44Å; M603-I626 VanDerWaalsContact CE-CD1 3.44Å; M603-I626 HydrophobicContact SD-CD1 3.41Å; M603-I626 WeakPolarHBondContact SD-CD1 3.15Å; Y622-I626 HydrophobicContact CE1-CD1 3.89Å; Y622-I626 HydrophobicContact CE1-CG2 4.49Å; Y622-I626 WeakPolarHBondContact O-CG2 3.34Å; Y622-I626 PolarHBondContact O-N 2.73Å; A623-I626 WeakPolarHBondContact O-CG2 3.12Å; I626-K628 VanDerWaalsContact C-N 3.34Å; I626-K628 PolarHBondContact O-N 2.88Å; I626-A629 PolarHBondContact O-N 2.81Å; I626-I630 HydrophobicContact CG1-CD1 4.16Å; I626-I630 WeakPolarHBondContact O-CD1 3.49Å; I626-I630 VanDerWaalsContact O-CG1 3.29Å; I626-I630 WeakPolarHBondContact O-CG1 3.25Å; I626-I630 PolarHBondContact O-N 2.81Å; I626-I648 HydrophobicContact CD1-CD1 4.46Å; I626-I648 HydrophobicContact CG2-CD1 4.37Å; I626-I648 HydrophobicContact CG2-CG1 4.28Å; I626-I648 HydrophobicContact CG2-CG2 3.8Å
627	K	96.3	Very high	93.6	Very high	105 Å²	105	65.8 Å²	65.8	46%	0.457	30%	0.299	S	S	.	.	H	α-helix	trans	-58.1	-45.4	173.6	-75.8	177.9	179.9	-174	0	111.6	A623 A629 H631 I648	A623-K627 WeakPolarHBondContact O-CB 3.37Å; A623-K627 VanDerWaalsContact O-CG 3.25Å; A623-K627 WeakPolarHBondContact O-CG 3.25Å; A623-K627 PolarHBondContact O-N 3.36Å; K627-A629 PolarHBondContact O-N 3.38Å; K627-H631 WeakPolarHBondContact O-CB 3.29Å; K627-H631 PolarHBondContact O-N 2.79Å; K627-I648 HydrophobicContact CD-CB 4.48Å; K627-I648 HydrophobicContact CD-CG2 4.44Å; K627-I648 WeakPolarHBondContact CE-O 3.34Å; K627-I648 HydrophobicContact CG-CB 3.91Å; K627-I648 HydrophobicContact CG-CG1 4.29Å; K627-I648 HydrophobicContact CG-CG2 3.99Å; K627-I648 PolarHBondContact NZ-O 2.88Å; K627-I648 VanDerWaalsContact NZ-O 3.1Å
628	K	96.8	Very high	91.8	Very high	146 Å²	146	69.2 Å²	69.2	64%	0.635	32%	0.315	S	S	*	.	H	α-helix	trans	-62	-42.6	176.4	-176.6	-178.6	177.5	-175.5	0	111.7	K624 Y625 I626 H631 T632	K624-K628 PolarHBondContact O-N 2.91Å; K624-K628 VanDerWaalsContact O-N 3.11Å; Y625-K628 PolarHBondContact O-N 3.27Å; I626-K628 VanDerWaalsContact C-N 3.34Å; I626-K628 PolarHBondContact O-N 2.88Å; K628-H631 PolarHBondContact O-N 2.82Å; K628-T632 WeakPolarHBondContact O-CB 3.35Å; K628-T632 PolarHBondContact O-N 2.85Å; K628-T632 PolarHBondContact O-OG1 2.94Å
629	A	96.6	Very high	89.6	Confident	7 Å²	7	77.1 Å²	77.1	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-45.7	-179.6	0	0	0	0	0	112.4	I595 T596 Y600 Y625 I626 K627 T632 H633	I595-A629 HydrophobicContact CG2-CB 3.52Å; T596-A629 WeakPolarHBondContact O-CB 3.45Å; Y600-A629 HydrophobicContact CE2-CB 4.4Å; Y625-A629 WeakPolarHBondContact O-CB 3.45Å; Y625-A629 PolarHBondContact O-N 2.91Å; I626-A629 PolarHBondContact O-N 2.81Å; K627-A629 PolarHBondContact O-N 3.38Å; A629-T632 PolarHBondContact O-N 3.04Å; A629-H633 PolarHBondContact O-N 2.84Å
630	I	94.8	Very high	87.4	Confident	13 Å²	13	80.7 Å²	80.7	7%	0.067	39%	0.386	C	S	.	.	H	α-helix	trans	-58.9	-50.1	174.6	-67	158.2	0	0	0	110.2	Y600 I626 T632 H633 L634 P646 I648	Y600-I630 HydrophobicContact CD2-CD1 4.36Å; Y600-I630 HydrophobicContact CD2-CG1 3.78Å; Y600-I630 HydrophobicContact CG-CG1 4.42Å; I626-I630 HydrophobicContact CG1-CD1 4.16Å; I626-I630 WeakPolarHBondContact O-CD1 3.49Å; I626-I630 VanDerWaalsContact O-CG1 3.29Å; I626-I630 WeakPolarHBondContact O-CG1 3.25Å; I626-I630 PolarHBondContact O-N 2.81Å; I630-T632 VanDerWaalsContact C-N 3.31Å; I630-T632 PolarHBondContact O-N 3.39Å; I630-H633 WeakPolarHBondContact O-CB 3.33Å; I630-H633 PolarHBondContact O-N 2.83Å; I630-H633 VanDerWaalsContact O-N 3.13Å; I630-L634 HydrophobicContact CG2-CD1 3.87Å; I630-L634 HydrophobicContact CG2-CG 4.35Å; I630-L634 WeakPolarHBondContact O-CG 3.36Å; I630-L634 PolarHBondContact O-N 3.04Å; I630-P646 HydrophobicContact CD1-CG 3.97Å; I630-P646 HydrophobicContact CG1-CG 4.33Å; I630-P646 HydrophobicContact CG2-CG 3.97Å; I630-I648 HydrophobicContact CD1-CD1 3.82Å; I630-I648 HydrophobicContact CD1-CG1 3.61Å
631	H	93.4	Very high	85.1	Confident	114 Å²	114	84.1 Å²	84.1	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-59	-42.9	178.8	-176.1	71.1	0	0	0	112	K627 K628 H633 L634 N635	K627-H631 WeakPolarHBondContact O-CB 3.29Å; K627-H631 PolarHBondContact O-N 2.79Å; K628-H631 PolarHBondContact O-N 2.82Å; H631-H633 VanDerWaalsContact C-N 3.34Å; H631-H633 PolarHBondContact O-N 2.85Å; H631-L634 PolarHBondContact O-N 2.79Å; H631-N635 PolarHBondContact CD2-ND2 3.07Å; H631-N635 VanDerWaalsContact CD2-ND2 3.34Å; H631-N635 PolarHBondContact CE1-ND2 2.9Å; H631-N635 PolarHBondContact NE2-ND2 3.04Å; H631-N635 WeakPolarHBondContact O-CB 3.19Å; H631-N635 VanDerWaalsContact O-CG 3.29Å; H631-N635 PolarHBondContact O-N 3.02Å; H631-N635 PolarHBondContact O-ND2 3.3Å
632	T	94.2	Very high	82.7	Confident	41 Å²	41	87.8 Å²	87.8	25%	0.252	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.5	-55.9	0	0	0	0	111.7	P597 K628 A629 I630 R636	P597-T632 HydrophobicContact CB-CG2 3.96Å; P597-T632 HydrophobicContact CG-CG2 4.03Å; K628-T632 WeakPolarHBondContact O-CB 3.35Å; K628-T632 PolarHBondContact O-N 2.85Å; K628-T632 PolarHBondContact O-OG1 2.94Å; A629-T632 PolarHBondContact O-N 3.04Å; I630-T632 VanDerWaalsContact C-N 3.31Å; I630-T632 PolarHBondContact O-N 3.39Å; T632-R636 WeakPolarHBondContact O-CG 3.48Å; T632-R636 PolarHBondContact O-N 3.5Å
633	H	91.8	Very high	80.9	Confident	30 Å²	30	93.3 Å²	93.3	14%	0.139	46%	0.463	C	S	.	.	H	α-helix	trans	-65.6	-46.7	177.5	-175.1	79.7	0	0	0	112.2	P597 Q598 A629 I630 H631 R636 K637	P597-H633 PolarHBondContact O-ND1 3.46Å; Q598-H633 WeakPolarHBondContact CA-ND1 3.4Å; A629-H633 PolarHBondContact O-N 2.84Å; I630-H633 WeakPolarHBondContact O-CB 3.33Å; I630-H633 PolarHBondContact O-N 2.83Å; I630-H633 VanDerWaalsContact O-N 3.13Å; H631-H633 VanDerWaalsContact C-N 3.34Å; H631-H633 PolarHBondContact O-N 2.85Å; H633-R636 PolarHBondContact O-N 2.87Å; H633-K637 PolarHBondContact NE2-NZ 2.55Å; H633-K637 PolarHBondContact O-N 2.78Å
634	L	88.3	Confident	79.5	Confident	54 Å²	54	97.4 Å²	97.4	28%	0.283	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-42.1	-179.2	-67.4	175	0	0	0	111.8	I630 H631 R636 K637 A645	I630-L634 HydrophobicContact CG2-CD1 3.87Å; I630-L634 HydrophobicContact CG2-CG 4.35Å; I630-L634 WeakPolarHBondContact O-CG 3.36Å; I630-L634 PolarHBondContact O-N 3.04Å; H631-L634 PolarHBondContact O-N 2.79Å; L634-R636 VanDerWaalsContact C-N 3.25Å; L634-R636 PolarHBondContact O-N 2.94Å; L634-K637 PolarHBondContact O-N 3.31Å; L634-K637 VanDerWaalsContact O-N 3.11Å; L634-A645 HydrophobicContact CD1-CB 3.7Å
635	N	86.8	Confident	78.8	Confident	79 Å²	79	93.3 Å²	93.3	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-64.4	-28.3	177.4	-71.1	-13.8	0	0	0	113.3	H631 K637	H631-N635 PolarHBondContact CD2-ND2 3.07Å; H631-N635 VanDerWaalsContact CD2-ND2 3.34Å; H631-N635 PolarHBondContact CE1-ND2 2.9Å; H631-N635 PolarHBondContact NE2-ND2 3.04Å; H631-N635 WeakPolarHBondContact O-CB 3.19Å; H631-N635 VanDerWaalsContact O-CG 3.29Å; H631-N635 PolarHBondContact O-N 3.02Å; H631-N635 PolarHBondContact O-ND2 3.3Å; N635-K637 VanDerWaalsContact C-N 3.31Å
636	R	84.8	Confident	78.4	Confident	183 Å²	183	89.5 Å²	89.5	69%	0.691	47%	0.474	S	S	*	.	H	α-helix	trans	-74.6	-19.5	176.3	-74.4	174.6	178.9	178.5	-0.7	113.3	T632 H633 L634	T632-R636 WeakPolarHBondContact O-CG 3.48Å; T632-R636 PolarHBondContact O-N 3.5Å; H633-R636 PolarHBondContact O-N 2.87Å; L634-R636 VanDerWaalsContact C-N 3.25Å; L634-R636 PolarHBondContact O-N 2.94Å
637	K	72.3	Confident	78.2	Confident	110 Å²	110	91.2 Å²	91.2	48%	0.478	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	19.7	-170.2	-91.6	-166.6	174.5	-179.6	0	114.8	H633 L634 N635 N639 A640	H633-K637 PolarHBondContact NE2-NZ 2.55Å; H633-K637 PolarHBondContact O-N 2.78Å; L634-K637 PolarHBondContact O-N 3.31Å; L634-K637 VanDerWaalsContact O-N 3.11Å; N635-K637 VanDerWaalsContact C-N 3.31Å; K637-N639 PolarHBondContact O-N 2.89Å; K637-A640 PolarHBondContact O-N 2.87Å
638	Q	56	Low	78.2	Confident	160 Å²	160	87 Å²	87	75%	0.748	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	7.3	-170.5	-82	-178.1	-0.6	0	0	119
639	N	50	Low	78	Confident	171 Å²	171	82.6 Å²	82.6	91%	0.914	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	19.2	179.8	-80.6	-22.8	0	0	0	116.2	K637	K637-N639 PolarHBondContact O-N 2.89Å
640	A	48.8	Very low	77.9	Confident	77 Å²	77	84.9 Å²	84.9	64%	0.636	46%	0.464	S	S	*	.	S	Bend	trans	-137.9	126.1	172.6	0	0	0	0	0	111.5	K637	K637-A640 PolarHBondContact O-N 2.87Å
641	D	49.1	Very low	77.7	Confident	148 Å²	148	85.2 Å²	85.2	79%	0.791	47%	0.466	S	S	*	.			trans	13.6	121	175	-63.9	-32.7	0	0	0	118.7	E643	D641-E643 VanDerWaalsContact C-N 3.28Å; D641-E643 PolarHBondContact O-N 3.1Å
642	C	48.6	Very low	77.5	Confident	144 Å²	144	82.5 Å²	82.5	97%	0.973	46%	0.458	S	S	*	.			trans	-65.9	74.9	-177.7	-164.2	0	0	0	0	112.2
643	E	59	Low	77	Confident	116 Å²	116	82.2 Å²	82.2	54%	0.542	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-77.4	135.1	162.9	-79.6	-179.1	-114.1	0	0	110.3	R599 D641	R599-E643 IonicContact CZ-OE1 2.76Å; R599-E643 IonicContact CZ-OE2 3.8Å; R599-E643 IonicContact NH1-OE1 3.61Å; R599-E643 PolarHBondContact NH1-OE1 2.55Å; R599-E643 IonicContact NH1-OE2 3.79Å; R599-E643 PolarHBondContact NH1-OE2 3.12Å; R599-E643 IonicContact NH2-OE1 3.23Å; R599-E643 PolarHBondContact NH2-OE1 2.89Å; R599-E643 VanDerWaalsContact NH2-OE1 3.17Å; R599-E643 IonicContact NH2-OE2 2.92Å; D641-E643 VanDerWaalsContact C-N 3.28Å; D641-E643 PolarHBondContact O-N 3.1Å
644	S	69.8	Low	76.3	Confident	89 Å²	89	85.9 Å²	85.9	62%	0.622	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59	135.6	179.5	58.6	0	0	0	0	112.1
645	A	81.9	Confident	75.2	Confident	63 Å²	63	84.8 Å²	84.8	52%	0.521	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-60.4	141.2	174.6	0	0	0	0	0	111.5	L634	L634-A645 HydrophobicContact CD1-CB 3.7Å
646	P	90.8	Very high	74	Confident	29 Å²	29	81.3 Å²	81.3	19%	0.188	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-65.8	147.4	176.3	28.9	-35.9	0	0	0	111.3	Y600 I630	Y600-P646 WeakPolarHBondContact O-CB 3.38Å; Y600-P646 WeakPolarHBondContact O-CG 3.48Å; I630-P646 HydrophobicContact CD1-CG 3.97Å; I630-P646 HydrophobicContact CG1-CG 4.33Å; I630-P646 HydrophobicContact CG2-CG 3.97Å
647	S	92.8	Very high	73.3	Confident	37 Å²	37	72.6 Å²	72.6	26%	0.259	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-85.3	123.2	178.9	-172.6	0	0	0	0	110.5	S602 M603 V649 E682	S602-S647 CarbonylContact C-O 3.58Å; S602-S647 VanDerWaalsContact CA-O 3.24Å; S602-S647 WeakPolarHBondContact CA-O 3.38Å; S602-S647 WeakPolarHBondContact CB-O 3.49Å; S602-S647 PolarHBondContact OG-N 2.78Å; M603-S647 PolarHBondContact N-O 3.36Å; S647-V649 WeakPolarHBondContact OG-CG2 3.26Å; S647-E682 WeakPolarHBondContact CB-OE1 3.44Å
648	I	95	Very high	73.5	Confident	16 Å²	16	68 Å²	68	8%	0.082	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	98.4	173.9	-52.7	-62.4	0	0	0	108.8	M603 I626 K627 I630	M603-I648 HydrophobicContact CB-CD1 3.84Å; M603-I648 HydrophobicContact CG-CD1 3.91Å; M603-I648 WeakPolarHBondContact O-CA 3.22Å; M603-I648 HydrophobicContact SD-CD1 4.4Å; I626-I648 HydrophobicContact CD1-CD1 4.46Å; I626-I648 HydrophobicContact CG2-CD1 4.37Å; I626-I648 HydrophobicContact CG2-CG1 4.28Å; I626-I648 HydrophobicContact CG2-CG2 3.8Å; K627-I648 HydrophobicContact CD-CB 4.48Å; K627-I648 HydrophobicContact CD-CG2 4.44Å; K627-I648 WeakPolarHBondContact CE-O 3.34Å; K627-I648 HydrophobicContact CG-CB 3.91Å; K627-I648 HydrophobicContact CG-CG1 4.29Å; K627-I648 HydrophobicContact CG-CG2 3.99Å; K627-I648 PolarHBondContact NZ-O 2.88Å; K627-I648 VanDerWaalsContact NZ-O 3.1Å; I630-I648 HydrophobicContact CD1-CD1 3.82Å; I630-I648 HydrophobicContact CD1-CG1 3.61Å
649	V	94.1	Very high	74.2	Confident	53 Å²	53	62.6 Å²	62.6	32%	0.321	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.4	-178.9	-174.7	0	0	0	0	108.9	M603 L604 L605 S647 F678	M603-V649 PolarHBondContact O-N 3.48Å; L604-V649 WeakPolarHBondContact CA-O 3.42Å; L604-V649 HydrophobicContact CD1-CB 3.85Å; L604-V649 HydrophobicContact CD1-CG1 3.68Å; L605-V649 PolarHBondContact N-O 3.01Å; S647-V649 WeakPolarHBondContact OG-CG2 3.26Å; V649-F678 HydrophobicContact CG2-CD2 4.43Å; V649-F678 HydrophobicContact CG2-CE2 4.39Å
650	L	93.7	Very high	75.3	Confident	56 Å²	56	54.6 Å²	54.6	29%	0.293	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.3	171.8	173.9	67.1	0	0	0	108	L605 V619 L620 A623 V652	L605-L650 HydrophobicContact CB-CD1 3.9Å; V619-L650 HydrophobicContact CG1-CD1 3.89Å; L620-L650 HydrophobicContact CD2-CD2 3.62Å; A623-L650 HydrophobicContact CB-CB 4.26Å; A623-L650 HydrophobicContact CB-CD1 4.4Å; A623-L650 HydrophobicContact CB-CD2 3.94Å; A623-L650 HydrophobicContact CB-CG 4.43Å; L650-V652 HydrophobicContact CD1-CG2 4.19Å; L650-V652 HydrophobicContact CD2-CG2 4.25Å; L650-V652 HydrophobicContact CG-CG2 4.02Å
651	N	90.6	Very high	76.2	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.102	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103	179.2	172.6	46	0	0	0	109.3	L604 L605 T606 A607 Q653 K674	L604-N651 HydrophobicContact CD1-CB 4.4Å; L605-N651 PolarHBondContact O-N 2.75Å; T606-N651 CarbonylContact C-O 3.57Å; T606-N651 WeakPolarHBondContact CA-O 3.36Å; T606-N651 WeakPolarHBondContact CG2-ND2 3.22Å; T606-N651 PolarHBondContact OG1-ND2 2.99Å; A607-N651 PolarHBondContact N-O 2.88Å; N651-Q653 PolarHBondContact ND2-NE2 3Å; N651-K674 HydrophobicContact CB-CD 4.27Å; N651-K674 VanDerWaalsContact CG-CD 3.43Å; N651-K674 WeakPolarHBondContact ND2-CD 3.22Å; N651-K674 PolarHBondContact ND2-NZ 2.92Å; N651-K674 PolarHBondContact OD1-NZ 2.79Å
652	V	89.4	Confident	77	Confident	58 Å²	58	45.8 Å²	45.8	35%	0.352	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.8	174.5	-175.2	0	0	0	0	108.8	A607 L616 L620 L650	A607-V652 CarbonylContact O-C 3.58Å; A607-V652 WeakPolarHBondContact O-CA 3.39Å; L616-V652 HydrophobicContact CD1-CG1 4.14Å; L616-V652 HydrophobicContact CD1-CG2 4.25Å; L616-V652 HydrophobicContact CD2-CG1 4.14Å; L620-V652 HydrophobicContact CD2-CG2 4.19Å; L650-V652 HydrophobicContact CD1-CG2 4.19Å; L650-V652 HydrophobicContact CD2-CG2 4.25Å; L650-V652 HydrophobicContact CG-CG2 4.02Å
653	Q	83	Confident	78	Confident	35 Å²	35	40.6 Å²	40.6	16%	0.164	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.9	-178.8	-64.5	-78.1	29.8	0	0	110.2	T606 A607 Y608 S609 N651 E670	T606-Q653 HydrophobicContact CG2-CG 4.38Å; A607-Q653 PolarHBondContact O-N 3.2Å; Y608-Q653 HydrophobicContact CD1-CB 3.61Å; Y608-Q653 HydrophobicContact CD1-CG 4Å; Y608-Q653 HydrophobicContact CE1-CB 4.07Å; Y608-Q653 HydrophobicContact CE1-CG 3.93Å; S609-Q653 PolarHBondContact N-O 3.1Å; N651-Q653 PolarHBondContact ND2-NE2 3Å; Q653-E670 WeakPolarHBondContact CG-OE2 3.36Å; Q653-E670 PolarHBondContact NE2-OE2 2.99Å
654	P	77.6	Confident	78.5	Confident	107 Å²	107	36.9 Å²	36.9	70%	0.695	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	132.9	178.8	30.7	-33	0	0	0	111	A656	P654-A656 PolarHBondContact O-N 2.68Å; P654-A656 VanDerWaalsContact O-N 3.08Å
655	G	65.3	Low	78.7	Confident	31 Å²	31	34.9 Å²	34.9	32%	0.32	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	13.4	164.6	0	0	0	0	0	116.7	H132 S609	H132-G655 CarbonylContact C-O 3.48Å; H132-G655 WeakPolarHBondContact CA-O 3.23Å; H132-G655 VanDerWaalsContact CB-O 3.24Å; H132-G655 WeakPolarHBondContact CB-O 3.37Å; S609-G655 PolarHBondContact OG-N 3.17Å; S609-G655 VanDerWaalsContact OG-N 3.08Å
656	A	61.7	Low	78.3	Confident	5 Å²	5	36.3 Å²	36.3	4%	0.041	21%	0.212	C	C	.	.			trans	-88.2	153.2	168.2	0	0	0	0	0	110.5	Y608 P654	Y608-A656 VanDerWaalsContact CB-O 3.32Å; Y608-A656 WeakPolarHBondContact CB-O 3.38Å; Y608-A656 HydrophobicContact CD1-CB 3.5Å; Y608-A656 VanDerWaalsContact CD1-CB 3.5Å; Y608-A656 HydrophobicContact CE1-CB 4.19Å; Y608-A656 HydrophobicContact CG-CB 4.15Å; P654-A656 PolarHBondContact O-N 2.68Å; P654-A656 VanDerWaalsContact O-N 3.08Å
657	N	69.2	Low	77.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-83	-178.2	175.6	68.8	31.2	0	0	0	110.6	K129 E134 Y608 L659 G660	K129-N657 PolarHBondContact NZ-ND2 2.8Å; E134-N657 WeakPolarHBondContact OE1-CB 3.48Å; Y608-N657 VanDerWaalsContact CD2-O 3.26Å; Y608-N657 WeakPolarHBondContact CD2-O 3.32Å; Y608-N657 VanDerWaalsContact CG-O 3.29Å; N657-L659 PolarHBondContact O-N 3.47Å; N657-L659 WeakPolarHBondContact OD1-CB 3.2Å; N657-L659 PolarHBondContact OD1-N 2.9Å; N657-G660 PolarHBondContact O-N 3.46Å; N657-G660 VanDerWaalsContact O-N 3.15Å; N657-G660 PolarHBondContact OD1-O 3.24Å
658	H	76.6	Confident	76.8	Confident	13 Å²	13	35.2 Å²	35.2	6%	0.06	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-20.8	-177.5	-176	71.8	0	0	0	115	S525 A549 D611 R613	S525-H658 WeakPolarHBondContact CB-NE2 3.42Å; S525-H658 PolarHBondContact OG-CE1 2.74Å; S525-H658 VanDerWaalsContact OG-CE1 3.29Å; S525-H658 PolarHBondContact OG-NE2 3.42Å; A549-H658 WeakPolarHBondContact CB-O 3.38Å; D611-H658 VanDerWaalsContact CG-ND1 3.35Å; D611-H658 WeakPolarHBondContact OD1-CB 3.34Å; D611-H658 IonicContact OD1-CG 3.72Å; D611-H658 IonicContact OD1-ND1 2.76Å; D611-H658 PolarHBondContact OD1-ND1 3.29Å; D611-H658 IonicContact OD2-CE1 3.63Å; D611-H658 IonicContact OD2-CG 3.66Å; D611-H658 IonicContact OD2-ND1 2.79Å; D611-H658 PolarHBondContact OD2-ND1 2.97Å; R613-H658 HydrophobicContact CG-CB 4.41Å; R613-H658 PolarHBondContact NH1-CD2 2.74Å; R613-H658 VanDerWaalsContact NH1-CD2 3.3Å
659	L	70.9	Confident	75.8	Confident	46 Å²	46	38.9 Å²	38.9	24%	0.241	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-3.3	-169.9	-56.8	147.6	0	0	0	112.4	N11 V12 Q548 N657	N11-L659 HydrophobicContact CB-CD1 3.38Å; N11-L659 WeakPolarHBondContact O-CD1 3.29Å; N11-L659 WeakPolarHBondContact O-CD2 3.33Å; N11-L659 WeakPolarHBondContact O-CG 3.43Å; V12-L659 HydrophobicContact CG2-CD2 4.11Å; Q548-L659 PolarHBondContact NE2-O 2.77Å; N657-L659 PolarHBondContact O-N 3.47Å; N657-L659 WeakPolarHBondContact OD1-CB 3.2Å; N657-L659 PolarHBondContact OD1-N 2.9Å
660	G	72.7	Confident	75	Confident	4 Å²	4	37.3 Å²	37.3	4%	0.041	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	94.1	-172.9	-174.4	0	0	0	0	0	113.8	Y608 N657 E662	Y608-G660 VanDerWaalsContact CE1-CA 3.45Å; Y608-G660 WeakPolarHBondContact OH-CA 3.32Å; N657-G660 PolarHBondContact O-N 3.46Å; N657-G660 VanDerWaalsContact O-N 3.15Å; N657-G660 PolarHBondContact OD1-O 3.24Å; G660-E662 PolarHBondContact O-N 3.32Å
661	P	68.8	Low	74.1	Confident	17 Å²	17	35.7 Å²	35.7	11%	0.11	20%	0.199	C	C	.	.			trans	-71.3	130.9	-176.7	28.3	-33.6	0	0	0	111.2	D663 Q666 M667	P661-D663 VanDerWaalsContact C-N 3.29Å; P661-Q666 HydrophobicContact CB-CB 3.6Å; P661-Q666 HydrophobicContact CG-CB 3.87Å; P661-M667 HydrophobicContact CG-CB 4.26Å
662	E	65.8	Low	72.9	Confident	22 Å²	22	34.8 Å²	34.8	10%	0.103	19%	0.194	C	C	.	.	S	Bend	trans	-75.2	-19.1	168.2	-66.4	-174.7	-170.8	0	0	111.6	F19 T111 C131 G660 F664	F19-E662 WeakPolarHBondContact CE1-O 3.43Å; T111-E662 WeakPolarHBondContact CG2-OE2 3.5Å; T111-E662 PolarHBondContact OG1-OE2 2.91Å; T111-E662 VanDerWaalsContact OG1-OE2 3.05Å; C131-E662 HydrophobicContact CB-CB 4.2Å; C131-E662 PolarHBondContact SG-OE2 3Å; G660-E662 PolarHBondContact O-N 3.32Å; E662-F664 PolarHBondContact O-N 2.89Å
663	D	70.3	Confident	71.7	Confident	36 Å²	36	34 Å²	34	19%	0.193	19%	0.187	C	C	.	.	S	Bend	trans	-68.9	126.2	174.4	176.8	-95.6	0	0	0	111	P661 V665 Q666 M667	P661-D663 VanDerWaalsContact C-N 3.29Å; D663-V665 VanDerWaalsContact C-N 3.3Å; D663-V665 PolarHBondContact O-N 2.91Å; D663-V665 WeakPolarHBondContact OD1-CA 3.38Å; D663-V665 WeakPolarHBondContact OD1-CB 3.5Å; D663-V665 PolarHBondContact OD1-N 2.91Å; D663-Q666 HydrophobicContact CB-CB 4.09Å; D663-Q666 HydrophobicContact CB-CG 4.08Å; D663-Q666 PolarHBondContact O-N 2.96Å; D663-Q666 WeakPolarHBondContact OD1-CG 3.47Å; D663-Q666 PolarHBondContact OD1-N 3.02Å; D663-M667 WeakPolarHBondContact O-CB 3.3Å; D663-M667 PolarHBondContact O-N 2.92Å
664	F	69.7	Low	71.1	Confident	37 Å²	37	33.9 Å²	33.9	16%	0.162	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-36.8	-175.5	179.9	-111.7	0	0	0	112.9	F19 Y59 E662 M667 L668	F19-F664 HydrophobicContact CB-CD2 3.99Å; F19-F664 HydrophobicContact CB-CG 4.48Å; F19-F664 HydrophobicContact CD1-CB 4.16Å; F19-F664 HydrophobicContact CG-CD2 4.47Å; Y59-F664 AromaticContact CD1-CE2 3.77Å; Y59-F664 HydrophobicContact CD1-CE2 3.77Å; Y59-F664 HydrophobicContact CD1-CZ 4.29Å; Y59-F664 HydrophobicContact CD2-CE2 4.28Å; Y59-F664 HydrophobicContact CD2-CZ 4.33Å; Y59-F664 HydrophobicContact CE1-CE2 4.19Å; Y59-F664 AromaticContact CG-CE2 3.82Å; Y59-F664 HydrophobicContact CG-CE2 3.82Å; Y59-F664 AromaticContact CG-CZ 3.9Å; Y59-F664 HydrophobicContact CG-CZ 3.9Å; E662-F664 PolarHBondContact O-N 2.89Å; F664-M667 HydrophobicContact CD2-CE 3.48Å; F664-M667 VanDerWaalsContact CD2-CE 3.48Å; F664-M667 HydrophobicContact CE2-CE 3.59Å; F664-L668 HydrophobicContact CD1-CD1 3.79Å; F664-L668 HydrophobicContact CD1-CG 4.33Å; F664-L668 HydrophobicContact CD2-CG 4.36Å; F664-L668 HydrophobicContact CE1-CD1 3.22Å; F664-L668 HydrophobicContact CE1-CG 3.95Å; F664-L668 HydrophobicContact CE2-CD1 4.14Å; F664-L668 HydrophobicContact CE2-CD2 4.28Å; F664-L668 HydrophobicContact CE2-CG 3.96Å; F664-L668 HydrophobicContact CG-CD1 4.47Å; F664-L668 HydrophobicContact CZ-CD1 3.42Å; F664-L668 VanDerWaalsContact CZ-CD1 3.42Å; F664-L668 HydrophobicContact CZ-CD2 4.08Å; F664-L668 HydrophobicContact CZ-CG 3.74Å; F664-L668 VanDerWaalsContact O-CB 3.3Å; F664-L668 WeakPolarHBondContact O-CB 3.46Å; F664-L668 VanDerWaalsContact O-CG 3.31Å; F664-L668 WeakPolarHBondContact O-CG 3.43Å; F664-L668 PolarHBondContact O-N 2.84Å
665	V	72.1	Confident	71.4	Confident	47 Å²	47	30.1 Å²	30.1	29%	0.285	16%	0.159	S	C	.	.	H	α-helix	trans	-69.9	-44.9	179.5	-179.9	0	0	0	0	109.7	D663 L668 E669	D663-V665 VanDerWaalsContact C-N 3.3Å; D663-V665 PolarHBondContact O-N 2.91Å; D663-V665 WeakPolarHBondContact OD1-CA 3.38Å; D663-V665 WeakPolarHBondContact OD1-CB 3.5Å; D663-V665 PolarHBondContact OD1-N 2.91Å; V665-L668 PolarHBondContact O-N 2.82Å; V665-E669 WeakPolarHBondContact O-CB 3.44Å; V665-E669 WeakPolarHBondContact O-CG 3.36Å; V665-E669 PolarHBondContact O-N 2.87Å
666	Q	73.9	Confident	72.6	Confident	93 Å²	93	28.7 Å²	28.7	44%	0.435	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-38.8	175.9	-68	179.7	16.7	0	0	112.4	P661 D663 E669 E670	P661-Q666 HydrophobicContact CB-CB 3.6Å; P661-Q666 HydrophobicContact CG-CB 3.87Å; D663-Q666 HydrophobicContact CB-CB 4.09Å; D663-Q666 HydrophobicContact CB-CG 4.08Å; D663-Q666 PolarHBondContact O-N 2.96Å; D663-Q666 WeakPolarHBondContact OD1-CG 3.47Å; D663-Q666 PolarHBondContact OD1-N 3.02Å; Q666-E669 PolarHBondContact O-N 3.5Å; Q666-E670 WeakPolarHBondContact O-CB 3.32Å; Q666-E670 PolarHBondContact O-N 2.87Å
667	M	77.8	Confident	73.9	Confident	40 Å²	40	28.4 Å²	28.4	20%	0.197	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-49.6	173.8	179.5	-77.8	-67.7	0	0	110.8	Y59 P661 D663 F664 E669 E670 V671	Y59-M667 HydrophobicContact CE1-CE 3.98Å; Y59-M667 HydrophobicContact CE2-CE 4.2Å; P661-M667 HydrophobicContact CG-CB 4.26Å; D663-M667 WeakPolarHBondContact O-CB 3.3Å; D663-M667 PolarHBondContact O-N 2.92Å; F664-M667 HydrophobicContact CD2-CE 3.48Å; F664-M667 VanDerWaalsContact CD2-CE 3.48Å; F664-M667 HydrophobicContact CE2-CE 3.59Å; M667-E669 VanDerWaalsContact C-N 3.27Å; M667-E669 PolarHBondContact O-N 3.43Å; M667-E670 PolarHBondContact O-N 2.81Å; M667-E670 VanDerWaalsContact O-N 3.14Å; M667-V671 WeakPolarHBondContact O-CG2 3.42Å; M667-V671 PolarHBondContact O-N 2.81Å; M667-V671 HydrophobicContact SD-CG2 3.83Å
668	L	74.7	Confident	75	Confident	4 Å²	4	28.6 Å²	28.6	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-43.1	176.1	-82.8	-179.3	0	0	0	111.1	L55 K56 Y59 F664 V665 S672	L55-L668 HydrophobicContact CB-CD2 3.8Å; L55-L668 HydrophobicContact CD1-CD2 4.41Å; K56-L668 HydrophobicContact CD-CD1 4.37Å; K56-L668 HydrophobicContact CG-CD1 3.51Å; Y59-L668 HydrophobicContact CD2-CD2 3.69Å; Y59-L668 HydrophobicContact CE2-CD2 3.73Å; F664-L668 HydrophobicContact CD1-CD1 3.79Å; F664-L668 HydrophobicContact CD1-CG 4.33Å; F664-L668 HydrophobicContact CD2-CG 4.36Å; F664-L668 HydrophobicContact CE1-CD1 3.22Å; F664-L668 HydrophobicContact CE1-CG 3.95Å; F664-L668 HydrophobicContact CE2-CD1 4.14Å; F664-L668 HydrophobicContact CE2-CD2 4.28Å; F664-L668 HydrophobicContact CE2-CG 3.96Å; F664-L668 HydrophobicContact CG-CD1 4.47Å; F664-L668 HydrophobicContact CZ-CD1 3.42Å; F664-L668 VanDerWaalsContact CZ-CD1 3.42Å; F664-L668 HydrophobicContact CZ-CD2 4.08Å; F664-L668 HydrophobicContact CZ-CG 3.74Å; F664-L668 VanDerWaalsContact O-CB 3.3Å; F664-L668 WeakPolarHBondContact O-CB 3.46Å; F664-L668 VanDerWaalsContact O-CG 3.31Å; F664-L668 WeakPolarHBondContact O-CG 3.43Å; F664-L668 PolarHBondContact O-N 2.84Å; V665-L668 PolarHBondContact O-N 2.82Å; L668-S672 WeakPolarHBondContact O-CB 3.45Å; L668-S672 PolarHBondContact O-N 3.35Å; L668-S672 PolarHBondContact O-OG 2.84Å
669	E	74.3	Confident	75.9	Confident	93 Å²	93	28 Å²	28	44%	0.435	14%	0.14	S	C	.	.	H	α-helix	trans	-59.6	-53.7	173.4	-76.9	-172.2	171.5	0	0	110.2	V665 Q666 M667 V671 S672 H673	V665-E669 WeakPolarHBondContact O-CB 3.44Å; V665-E669 WeakPolarHBondContact O-CG 3.36Å; V665-E669 PolarHBondContact O-N 2.87Å; Q666-E669 PolarHBondContact O-N 3.5Å; M667-E669 VanDerWaalsContact C-N 3.27Å; M667-E669 PolarHBondContact O-N 3.43Å; E669-V671 VanDerWaalsContact C-N 3.35Å; E669-V671 PolarHBondContact O-N 2.9Å; E669-S672 PolarHBondContact O-N 2.72Å; E669-S672 PolarHBondContact O-OG 2.98Å; E669-H673 VanDerWaalsContact O-CA 3.3Å; E669-H673 WeakPolarHBondContact O-CA 3.22Å; E669-H673 WeakPolarHBondContact O-CB 3.29Å; E669-H673 PolarHBondContact O-N 3.43Å
670	E	76.4	Confident	76.9	Confident	19 Å²	19	26.8 Å²	26.8	9%	0.089	13%	0.132	C	C	.	.	I	π-helix	trans	-51.9	-50	178.6	-175.7	160	119.6	0	0	113	Y608 Q653 Q666 M667 K674 E675	Y608-E670 PolarHBondContact OH-OE1 3.23Å; Q653-E670 WeakPolarHBondContact CG-OE2 3.36Å; Q653-E670 PolarHBondContact NE2-OE2 2.99Å; Q666-E670 WeakPolarHBondContact O-CB 3.32Å; Q666-E670 PolarHBondContact O-N 2.87Å; M667-E670 PolarHBondContact O-N 2.81Å; M667-E670 VanDerWaalsContact O-N 3.14Å; E670-K674 VanDerWaalsContact O-CB 3.29Å; E670-K674 WeakPolarHBondContact O-CB 3.36Å; E670-K674 PolarHBondContact O-N 3.29Å; E670-K674 VanDerWaalsContact O-N 3.09Å; E670-E675 PolarHBondContact O-N 2.93Å
671	V	76.4	Confident	77.9	Confident	22 Å²	22	28.6 Å²	28.6	13%	0.133	14%	0.143	C	C	.	.	I	π-helix	trans	-67.2	-51.4	179.9	177.9	0	0	0	0	112	L55 V459 M667 E669 E675 L676	L55-V671 HydrophobicContact CD1-CB 4.22Å; L55-V671 HydrophobicContact CD1-CG1 3.65Å; V459-V671 HydrophobicContact CB-CG1 4.34Å; V459-V671 HydrophobicContact CG1-CG1 3.66Å; V459-V671 HydrophobicContact CG2-CG1 3.71Å; M667-V671 WeakPolarHBondContact O-CG2 3.42Å; M667-V671 PolarHBondContact O-N 2.81Å; M667-V671 HydrophobicContact SD-CG2 3.83Å; E669-V671 VanDerWaalsContact C-N 3.35Å; E669-V671 PolarHBondContact O-N 2.9Å; V671-E675 PolarHBondContact O-N 2.55Å; V671-L676 HydrophobicContact CG1-CD1 4.42Å; V671-L676 HydrophobicContact CG1-CG 4.41Å; V671-L676 PolarHBondContact O-N 3.38Å
672	S	64.3	Low	79	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-73.7	-42.2	-176	62.2	0	0	0	0	113.5	V52 L668 E669	V52-S672 WeakPolarHBondContact CG2-OG 3.25Å; L668-S672 WeakPolarHBondContact O-CB 3.45Å; L668-S672 PolarHBondContact O-N 3.35Å; L668-S672 PolarHBondContact O-OG 2.84Å; E669-S672 PolarHBondContact O-N 2.72Å; E669-S672 PolarHBondContact O-OG 2.98Å
673	H	64.6	Low	80.3	Confident	43 Å²	43	28.3 Å²	28.3	20%	0.199	14%	0.14	C	C	.	.	I	π-helix	trans	-78.9	-36.4	-173.4	-179.8	-150.5	0	0	0	111.8	Y44 K48 E669	Y44-H673 PolarHBondContact OH-O 2.84Å; K48-H673 HydrophobicContact CD-CB 4.3Å; K48-H673 WeakPolarHBondContact CD-CD2 3.36Å; K48-H673 WeakPolarHBondContact CE-CD2 3.37Å; K48-H673 HydrophobicContact CG-CB 4.17Å; K48-H673 PolarHBondContact NZ-CD2 3.2Å; K48-H673 PolarHBondContact NZ-CE1 3.14Å; K48-H673 VanDerWaalsContact NZ-CE1 3.32Å; K48-H673 PolarHBondContact NZ-NE2 3.17Å; E669-H673 VanDerWaalsContact O-CA 3.3Å; E669-H673 WeakPolarHBondContact O-CA 3.22Å; E669-H673 WeakPolarHBondContact O-CB 3.29Å; E669-H673 PolarHBondContact O-N 3.43Å
674	K	71.2	Confident	81.3	Confident	32 Å²	32	32.5 Å²	32.5	14%	0.139	16%	0.162	C	C	.	.	I	π-helix	trans	-114.9	-47.1	-165.4	-50.4	-175.4	-175.4	173.6	0	111.3	L604 N651 E670 F678	L604-K674 VanDerWaalsContact CD2-C 3.46Å; L604-K674 HydrophobicContact CD2-CB 4.15Å; L604-K674 WeakPolarHBondContact CD2-O 3.25Å; N651-K674 HydrophobicContact CB-CD 4.27Å; N651-K674 VanDerWaalsContact CG-CD 3.43Å; N651-K674 WeakPolarHBondContact ND2-CD 3.22Å; N651-K674 PolarHBondContact ND2-NZ 2.92Å; N651-K674 PolarHBondContact OD1-NZ 2.79Å; E670-K674 VanDerWaalsContact O-CB 3.29Å; E670-K674 WeakPolarHBondContact O-CB 3.36Å; E670-K674 PolarHBondContact O-N 3.29Å; E670-K674 VanDerWaalsContact O-N 3.09Å; K674-F678 WeakPolarHBondContact O-CB 3.26Å
675	E	83.3	Confident	82.2	Confident	28 Å²	28	34.9 Å²	34.9	13%	0.131	18%	0.176	C	C	.	.	I	π-helix	trans	-78	-61	-179.7	-162.6	-174.7	162.4	0	0	112.3	R460 T546 E670 V671 F678 L679	R460-E675 IonicContact CZ-OE1 3.73Å; R460-E675 IonicContact NH1-OE1 3.34Å; R460-E675 PolarHBondContact NH1-OE1 2.93Å; R460-E675 IonicContact NH2-OE1 3.13Å; T546-E675 HydrophobicContact CG2-CG 3.93Å; E670-E675 PolarHBondContact O-N 2.93Å; V671-E675 PolarHBondContact O-N 2.55Å; E675-F678 PolarHBondContact O-N 3.44Å; E675-L679 HydrophobicContact CG-CD1 4.15Å; E675-L679 WeakPolarHBondContact O-CB 3.41Å; E675-L679 VanDerWaalsContact O-CG 3.27Å; E675-L679 WeakPolarHBondContact O-CG 3.49Å; E675-L679 PolarHBondContact O-N 2.83Å
676	L	90.2	Very high	82.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	I	π-helix	trans	-67.8	-46.6	-171.8	-65.5	-177.6	0	0	0	113.2	F51 L55 V459 F462 L463 V671 F678 L679 Y680	F51-L676 HydrophobicContact CB-CD1 4.32Å; F51-L676 HydrophobicContact CD1-CB 4.38Å; F51-L676 HydrophobicContact CD1-CD1 4Å; F51-L676 HydrophobicContact CD2-CB 3.81Å; F51-L676 HydrophobicContact CE2-CB 4.03Å; F51-L676 HydrophobicContact CG-CB 4.02Å; F51-L676 HydrophobicContact CG-CD1 4.11Å; F51-L676 HydrophobicContact CZ-CB 4.44Å; L55-L676 HydrophobicContact CD1-CD1 3.88Å; L55-L676 HydrophobicContact CD2-CD1 4.19Å; L55-L676 HydrophobicContact CG-CD1 4.22Å; V459-L676 HydrophobicContact CG1-CD1 4.39Å; V459-L676 HydrophobicContact CG1-CD2 4.37Å; F462-L676 HydrophobicContact CD1-CD1 4.22Å; F462-L676 HydrophobicContact CE1-CD1 4.04Å; L463-L676 HydrophobicContact CD1-CD2 4.22Å; L463-L676 HydrophobicContact CD2-CD2 3.64Å; L463-L676 HydrophobicContact CG-CD2 4.12Å; V671-L676 HydrophobicContact CG1-CD1 4.42Å; V671-L676 HydrophobicContact CG1-CG 4.41Å; V671-L676 PolarHBondContact O-N 3.38Å; L676-F678 VanDerWaalsContact C-N 3.3Å; L676-F678 PolarHBondContact O-N 2.73Å; L676-L679 PolarHBondContact O-N 2.86Å; L676-Y680 WeakPolarHBondContact O-CD2 3.48Å; L676-Y680 PolarHBondContact O-N 3.14Å
677	A	89.8	Confident	83.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-38.9	179.1	0	0	0	0	0	112.1	Y44 L47 F51 T681	Y44-A677 HydrophobicContact CD2-CB 4.33Å; Y44-A677 HydrophobicContact CE1-CB 4.29Å; Y44-A677 HydrophobicContact CE2-CB 3.86Å; L47-A677 HydrophobicContact CB-CB 4.29Å; F51-A677 HydrophobicContact CD2-CB 4.49Å; A677-T681 VanDerWaalsContact O-CB 3.31Å; A677-T681 WeakPolarHBondContact O-CB 3.45Å; A677-T681 PolarHBondContact O-N 3Å; A677-T681 PolarHBondContact O-OG1 2.96Å
678	F	91.9	Very high	83.5	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-52.5	173	171.2	-101.2	0	0	0	111.1	A544 T546 L604 V649 K674 E675 L676 Y680 T681 E682	A544-F678 HydrophobicContact CB-CE1 4.08Å; A544-F678 HydrophobicContact CB-CZ 4.46Å; T546-F678 HydrophobicContact CG2-CD1 3.83Å; T546-F678 HydrophobicContact CG2-CE1 3.99Å; L604-F678 HydrophobicContact CB-CD1 3.83Å; L604-F678 HydrophobicContact CB-CD2 4.39Å; L604-F678 HydrophobicContact CB-CE1 3.8Å; L604-F678 HydrophobicContact CB-CE2 4.36Å; L604-F678 HydrophobicContact CB-CG 4.13Å; L604-F678 HydrophobicContact CB-CZ 4.08Å; L604-F678 HydrophobicContact CD2-CD1 4.47Å; V649-F678 HydrophobicContact CG2-CD2 4.43Å; V649-F678 HydrophobicContact CG2-CE2 4.39Å; K674-F678 WeakPolarHBondContact O-CB 3.26Å; E675-F678 PolarHBondContact O-N 3.44Å; L676-F678 VanDerWaalsContact C-N 3.3Å; L676-F678 PolarHBondContact O-N 2.73Å; F678-Y680 PolarHBondContact O-N 3.31Å; F678-T681 PolarHBondContact O-N 2.69Å; F678-T681 VanDerWaalsContact O-N 3.15Å; F678-E682 HydrophobicContact CD2-CG 3.87Å; F678-E682 HydrophobicContact CE1-CG 4.3Å; F678-E682 HydrophobicContact CE2-CG 3.58Å; F678-E682 HydrophobicContact CG-CG 4.35Å; F678-E682 HydrophobicContact CZ-CG 3.8Å; F678-E682 WeakPolarHBondContact O-CG 3.38Å; F678-E682 PolarHBondContact O-N 2.8Å
679	L	94.2	Very high	84	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-48.1	-178.9	-73.2	179.2	0	0	0	112.5	L441 W468 A520 A544 T546 E675 L676 T681 E682 L683	L441-L679 HydrophobicContact CD1-CD1 4.21Å; W468-L679 HydrophobicContact CH2-CB 3.99Å; W468-L679 HydrophobicContact CH2-CD1 4.32Å; A520-L679 HydrophobicContact CB-CD2 3.43Å; A520-L679 VanDerWaalsContact CB-CD2 3.43Å; A544-L679 HydrophobicContact CB-CD2 4.24Å; T546-L679 HydrophobicContact CG2-CD1 4.39Å; T546-L679 HydrophobicContact CG2-CD2 3.78Å; T546-L679 HydrophobicContact CG2-CG 4.01Å; E675-L679 HydrophobicContact CG-CD1 4.15Å; E675-L679 WeakPolarHBondContact O-CB 3.41Å; E675-L679 VanDerWaalsContact O-CG 3.27Å; E675-L679 WeakPolarHBondContact O-CG 3.49Å; E675-L679 PolarHBondContact O-N 2.83Å; L676-L679 PolarHBondContact O-N 2.86Å; L679-T681 VanDerWaalsContact C-N 3.29Å; L679-T681 PolarHBondContact O-N 3.21Å; L679-E682 PolarHBondContact O-N 3.45Å; L679-L683 VanDerWaalsContact O-CB 3.3Å; L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 VanDerWaalsContact O-CG 3.28Å; L679-L683 WeakPolarHBondContact O-CG 3.1Å; L679-L683 PolarHBondContact O-N 2.94Å
680	Y	93.8	Very high	84.6	Confident	21 Å²	21	28.4 Å²	28.4	8%	0.082	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-36.2	177.5	-87.4	-109.3	0	0	0	112.4	F51 L463 E466 W468 L676 F678 N684 L685	F51-Y680 HydrophobicContact CE1-CD2 4.34Å; F51-Y680 HydrophobicContact CE1-CE1 4.5Å; F51-Y680 AromaticContact CE1-CE2 3.97Å; F51-Y680 HydrophobicContact CE1-CE2 3.97Å; F51-Y680 AromaticContact CE2-CD2 3.96Å; F51-Y680 HydrophobicContact CE2-CD2 3.96Å; F51-Y680 HydrophobicContact CE2-CE2 4.42Å; F51-Y680 HydrophobicContact CE2-CG 4.04Å; F51-Y680 AromaticContact CZ-CD1 3.84Å; F51-Y680 HydrophobicContact CZ-CD1 3.84Å; F51-Y680 AromaticContact CZ-CD2 3.44Å; F51-Y680 HydrophobicContact CZ-CD2 3.44Å; F51-Y680 VanDerWaalsContact CZ-CD2 3.44Å; F51-Y680 AromaticContact CZ-CE1 3.91Å; F51-Y680 HydrophobicContact CZ-CE1 3.91Å; F51-Y680 AromaticContact CZ-CE2 3.5Å; F51-Y680 HydrophobicContact CZ-CE2 3.5Å; F51-Y680 AromaticContact CZ-CG 3.61Å; F51-Y680 HydrophobicContact CZ-CG 3.61Å; F51-Y680 AromaticContact CZ-CZ 3.74Å; L463-Y680 HydrophobicContact CD2-CE2 4.31Å; E466-Y680 WeakPolarHBondContact CB-OH 3.34Å; W468-Y680 AromaticContact CE2-CE2 3.83Å; W468-Y680 AromaticContact CZ2-CD2 3.91Å; W468-Y680 HydrophobicContact CZ2-CD2 3.91Å; W468-Y680 AromaticContact CZ2-CE2 3.65Å; W468-Y680 HydrophobicContact CZ2-CE2 3.65Å; W468-Y680 AromaticContact NE1-CE2 3.53Å; W468-Y680 AromaticContact NE1-CZ 3.4Å; W468-Y680 PolarHBondContact NE1-OH 3.39Å; L676-Y680 WeakPolarHBondContact O-CD2 3.48Å; L676-Y680 PolarHBondContact O-N 3.14Å; F678-Y680 PolarHBondContact O-N 3.31Å; Y680-N684 PolarHBondContact O-N 2.7Å; Y680-L685 HydrophobicContact CD1-CB 3.47Å; Y680-L685 VanDerWaalsContact CD1-CB 3.47Å; Y680-L685 HydrophobicContact CD1-CD1 4.02Å; Y680-L685 HydrophobicContact CD1-CG 4.39Å; Y680-L685 HydrophobicContact CD2-CD1 4.47Å; Y680-L685 HydrophobicContact CE1-CB 4.02Å; Y680-L685 HydrophobicContact CE1-CD1 4.14Å; Y680-L685 HydrophobicContact CG-CB 4.09Å; Y680-L685 HydrophobicContact CG-CD1 4.2Å; Y680-L685 PolarHBondContact O-N 3.35Å
681	T	92.1	Very high	85.2	Confident	43 Å²	43	29.1 Å²	29.1	26%	0.264	15%	0.149	S	C	.	.	H	α-helix	trans	-68	-48.7	177.2	-58.2	0	0	0	0	111.1	A677 F678 L679 N684	A677-T681 VanDerWaalsContact O-CB 3.31Å; A677-T681 WeakPolarHBondContact O-CB 3.45Å; A677-T681 PolarHBondContact O-N 3Å; A677-T681 PolarHBondContact O-OG1 2.96Å; F678-T681 PolarHBondContact O-N 2.69Å; F678-T681 VanDerWaalsContact O-N 3.15Å; L679-T681 VanDerWaalsContact C-N 3.29Å; L679-T681 PolarHBondContact O-N 3.21Å; T681-N684 PolarHBondContact O-N 2.8Å
682	E	92.3	Very high	85.8	Confident	27 Å²	27	29.6 Å²	29.6	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-73.5	-29.3	-174.2	-65.2	-57.1	146.3	0	0	113.7	R543 A544 S602 S647 F678 L679 N684	R543-E682 WeakPolarHBondContact CG-O 3.39Å; R543-E682 PolarHBondContact NE-O 3.43Å; A544-E682 HydrophobicContact CB-CB 3.98Å; S602-E682 VanDerWaalsContact CB-CD 3.49Å; S602-E682 WeakPolarHBondContact CB-OE2 3.14Å; S602-E682 VanDerWaalsContact OG-CD 3.28Å; S602-E682 PolarHBondContact OG-OE2 2.83Å; S647-E682 WeakPolarHBondContact CB-OE1 3.44Å; F678-E682 HydrophobicContact CD2-CG 3.87Å; F678-E682 HydrophobicContact CE1-CG 4.3Å; F678-E682 HydrophobicContact CE2-CG 3.58Å; F678-E682 HydrophobicContact CG-CG 4.35Å; F678-E682 HydrophobicContact CZ-CG 3.8Å; F678-E682 WeakPolarHBondContact O-CG 3.38Å; F678-E682 PolarHBondContact O-N 2.8Å; L679-E682 PolarHBondContact O-N 3.45Å; E682-N684 VanDerWaalsContact C-N 3.32Å
683	L	93.1	Very high	87.5	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.6	173.8	-61.8	-174.8	0	0	0	113.4	P439 W468 R543 L679 L685	P439-L683 HydrophobicContact CB-CD1 4.3Å; W468-L683 HydrophobicContact CH2-CD1 3.25Å; W468-L683 HydrophobicContact CZ2-CD1 4Å; W468-L683 HydrophobicContact CZ3-CD1 3.77Å; R543-L683 HydrophobicContact CB-CD2 3.61Å; R543-L683 HydrophobicContact CG-CD2 3.64Å; L679-L683 VanDerWaalsContact O-CB 3.3Å; L679-L683 WeakPolarHBondContact O-CB 3.37Å; L679-L683 VanDerWaalsContact O-CG 3.28Å; L679-L683 WeakPolarHBondContact O-CG 3.1Å; L679-L683 PolarHBondContact O-N 2.94Å; L683-L685 HydrophobicContact CB-CD1 4.11Å; L683-L685 HydrophobicContact CB-CD2 4.47Å; L683-L685 HydrophobicContact CB-CG 3.89Å; L683-L685 HydrophobicContact CD1-CD1 4.26Å
684	N	90.8	Very high	89.4	Confident	125 Å²	125	30.9 Å²	30.9	67%	0.668	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	46.3	-177.4	-64	-52.3	0	0	0	114.4	Y680 T681 E682	Y680-N684 PolarHBondContact O-N 2.7Å; T681-N684 PolarHBondContact O-N 2.8Å; E682-N684 VanDerWaalsContact C-N 3.32Å
685	L	89.9	Confident	91	Very high	86 Å²	86	30.8 Å²	30.8	45%	0.45	16%	0.161	S	C	.	.			trans	-89.7	0	176.4	-54.2	176.8	0	0	0	113.1	K43 P439 W468 L518 Y680 L683	K43-L685 PolarHBondContact NZ-O 2.9Å; P439-L685 HydrophobicContact CB-CD1 3.9Å; P439-L685 HydrophobicContact CG-CD1 3.6Å; P439-L685 HydrophobicContact CG-CD2 3.66Å; P439-L685 HydrophobicContact CG-CG 4.29Å; W468-L685 HydrophobicContact CH2-CD1 4.29Å; W468-L685 HydrophobicContact CZ2-CD1 3.44Å; W468-L685 VanDerWaalsContact CZ2-CD1 3.44Å; L518-L685 HydrophobicContact CD2-CD2 4.46Å; Y680-L685 HydrophobicContact CD1-CB 3.47Å; Y680-L685 VanDerWaalsContact CD1-CB 3.47Å; Y680-L685 HydrophobicContact CD1-CD1 4.02Å; Y680-L685 HydrophobicContact CD1-CG 4.39Å; Y680-L685 HydrophobicContact CD2-CD1 4.47Å; Y680-L685 HydrophobicContact CE1-CB 4.02Å; Y680-L685 HydrophobicContact CE1-CD1 4.14Å; Y680-L685 HydrophobicContact CG-CB 4.09Å; Y680-L685 HydrophobicContact CG-CD1 4.2Å; Y680-L685 PolarHBondContact O-N 3.35Å; L683-L685 HydrophobicContact CB-CD1 4.11Å; L683-L685 HydrophobicContact CB-CD2 4.47Å; L683-L685 HydrophobicContact CB-CG 3.89Å; L683-L685 HydrophobicContact CD1-CD1 4.26Å

Retrieved 685 of 685 residues in 478 ms (Link to these results)

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