A0A096NVX7_PAPAN Loading...

Zinc finger FYVE domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096NVX7, Species PAPAN (Papio anubis, Olive baboon), Gene ZFYVE1, Length 789 aa.

Structure Viewer

Loading PAE data...

(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	M	28.2	Very low	27.8	Very low	249 Å²	249	144.5 Å²	144.5	100%	1.227	87%	0.868	S	S	*	*				0	145.6	0	-75.8	-159.3	117.1	0	0	108.8
2	S	29.7	Very low	28.3	Very low	124 Å²	124	143.6 Å²	143.6	87%	0.867	85%	0.854	S	S	*	*			trans	-42.8	143.6	-167	-52.5	0	0	0	0	120
3	A	25.2	Very low	29.3	Very low	92 Å²	92	141.5 Å²	141.5	76%	0.76	84%	0.836	S	S	*	*			trans	161	141.8	135.4	0	0	0	0	0	107.2
4	Q	25.8	Very low	31	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	80%	0.799	S	S	*	*			cis	-171.9	144.6	3.9	-106.9	173.3	-7.5	0	0	105
5	T	24.2	Very low	33.2	Very low	150 Å²	150	128.4 Å²	128.4	92%	0.92	77%	0.771	S	S	*	*			trans	-153.8	148.6	147.3	31.9	0	0	0	0	110.9
6	S	24.3	Very low	36.1	Very low	106 Å²	106	121.9 Å²	121.9	74%	0.741	73%	0.731	S	S	*	*			trans	-69.9	166	-165.2	43.1	0	0	0	0	116.2	A8	S6-A8 PolarHBondContact O-N 3.1Å
7	P	30.8	Very low	38.9	Very low	134 Å²	134	118.2 Å²	118.2	87%	0.87	71%	0.705	S	S	*	*			trans	-81.5	102.6	-179.2	32	-29.2	0	0	0	110.6
8	A	28.3	Very low	41.5	Very low	89 Å²	89	112 Å²	112	74%	0.736	67%	0.669	S	S	*	*			trans	-80	140.2	166.4	0	0	0	0	0	110.7	S6 K10	S6-A8 PolarHBondContact O-N 3.1Å; A8-K10 PolarHBondContact O-N 3.42Å
9	E	29.4	Very low	43.8	Very low	198 Å²	198	109.5 Å²	109.5	93%	0.925	65%	0.649	S	S	*	*			trans	-40	121.4	177.9	-64.6	168	140.5	0	0	113.5
10	K	29.7	Very low	45.7	Very low	181 Å²	181	106.5 Å²	106.5	79%	0.787	63%	0.628	S	S	*	*			trans	-107.1	85.2	167	-80.7	-174.8	176.4	178.9	0	110	A8 L12	A8-K10 PolarHBondContact O-N 3.42Å; K10-L12 VanDerWaalsContact C-N 3.29Å; K10-L12 HydrophobicContact CB-CD1 4.05Å; K10-L12 HydrophobicContact CB-CG 4.44Å; K10-L12 HydrophobicContact CD-CD1 4.11Å; K10-L12 PolarHBondContact O-N 3.34Å; K10-L12 VanDerWaalsContact O-N 3.08Å
11	G	29.8	Very low	47.1	Very low	83 Å²	83	104.6 Å²	104.6	86%	0.856	62%	0.621	S	S	*	*			trans	-70.4	86.3	155.6	0	0	0	0	0	109.4	N13	G11-N13 PolarHBondContact O-N 2.82Å
12	L	34	Very low	49.5	Very low	134 Å²	134	98.6 Å²	98.6	70%	0.702	59%	0.585	S	S	*	*			trans	-82.8	92.5	179.9	-94.7	146	0	0	0	110.5	K10 P14	K10-L12 VanDerWaalsContact C-N 3.29Å; K10-L12 HydrophobicContact CB-CD1 4.05Å; K10-L12 HydrophobicContact CB-CG 4.44Å; K10-L12 HydrophobicContact CD-CD1 4.11Å; K10-L12 PolarHBondContact O-N 3.34Å; K10-L12 VanDerWaalsContact O-N 3.08Å; L12-P14 WeakPolarHBondContact O-CD 3.28Å
13	N	41.3	Very low	52.1	Low	117 Å²	117	94.2 Å²	94.2	63%	0.626	56%	0.556	S	S	*	*			trans	-87.8	110	149.3	-108.3	-21.3	0	0	0	106.8	G11 G15	G11-N13 PolarHBondContact O-N 2.82Å; N13-G15 PolarHBondContact O-N 3.02Å
14	P	54	Low	54.9	Low	49 Å²	49	90.3 Å²	90.3	32%	0.318	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-68.2	119	172.4	27.1	-29.2	0	0	0	107.8	L12 L16	L12-P14 WeakPolarHBondContact O-CD 3.28Å; P14-L16 PolarHBondContact O-N 2.77Å
15	G	63.8	Low	57.3	Low	37 Å²	37	86 Å²	86	38%	0.381	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-47.3	128.5	176.3	0	0	0	0	0	111	N13 M17	N13-G15 PolarHBondContact O-N 3.02Å; G15-M17 PolarHBondContact O-N 3.05Å
16	L	79.4	Confident	59.7	Low	25 Å²	25	79.9 Å²	79.9	13%	0.131	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-67.5	128.6	172.8	-70.2	175.2	0	0	0	107.3	P14 A30 L40 L63 H67 P69	P14-L16 PolarHBondContact O-N 2.77Å; L16-A30 HydrophobicContact CB-CB 4.4Å; L16-A30 WeakPolarHBondContact O-CB 3.41Å; L16-A30 PolarHBondContact O-N 3.43Å; L16-L40 HydrophobicContact CB-CD1 4.2Å; L16-L40 HydrophobicContact CD1-CD2 4.41Å; L16-L40 HydrophobicContact CD2-CD1 4.16Å; L16-L63 HydrophobicContact CB-CD1 4.17Å; L16-L63 HydrophobicContact CD1-CD1 3.95Å; L16-H67 HydrophobicContact CD1-CB 4.39Å; L16-P69 HydrophobicContact CD2-CG 4.03Å
17	M	83.6	Confident	62.1	Low	59 Å²	59	79.1 Å²	79.1	29%	0.291	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-100.4	150	-176	-54	-52.9	-66.8	0	0	110.8	G15 Q19 T27 E29	G15-M17 PolarHBondContact O-N 3.05Å; M17-Q19 PolarHBondContact O-N 3.45Å; M17-T27 WeakPolarHBondContact CE-O 3.1Å; M17-E29 HydrophobicContact SD-CG 4.29Å
18	C	85.1	Confident	64.6	Low	6 Å²	6	75 Å²	75	4%	0.041	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-58.3	131.9	174.6	-174.1	0	0	0	0	111.4	C24 G26 D28 C42 C45	C18-C24 PolarHBondContact SG-SG 3.24Å; C18-G26 WeakPolarHBondContact O-CA 3.46Å; C18-D28 WeakPolarHBondContact CB-O 3.17Å; C18-D28 PolarHBondContact N-O 3.13Å; C18-C42 HydrophobicContact CB-CB 3.82Å; C18-C42 PolarHBondContact SG-N 3.47Å; C18-C45 VanDerWaalsContact SG-SG 3.67Å
19	Q	85.1	Confident	67.2	Low	64 Å²	64	77 Å²	77	30%	0.299	44%	0.436	S	S	.	.	S	Bend	trans	-100.9	-19.6	-179.1	-71.4	174.4	-35.8	0	0	112.9	M17 S21 L40 D72	M17-Q19 PolarHBondContact O-N 3.45Å; Q19-S21 PolarHBondContact O-N 2.91Å; Q19-L40 HydrophobicContact CG-CB 4.13Å; Q19-L40 PolarHBondContact N-O 3.38Å; Q19-D72 PolarHBondContact NE2-OD1 3.42Å; Q19-D72 PolarHBondContact NE2-OD2 2.75Å
20	E	81.8	Confident	69.9	Low	50 Å²	50	68.1 Å²	68.1	23%	0.234	40%	0.396	C	S	.	.			trans	-71.5	-30.9	-175.4	-71.9	-74	-165.5	0	0	113.4	Y22 C37 S39 Q41 C45	E20-Y22 PolarHBondContact O-N 3.13Å; E20-C37 WeakPolarHBondContact OE1-CB 3.25Å; E20-S39 PolarHBondContact OE1-OG 2.92Å; E20-Q41 HydrophobicContact CG-CB 4.46Å; E20-Q41 HydrophobicContact CG-CG 3.65Å; E20-Q41 PolarHBondContact OE1-NE2 3.13Å; E20-C45 HydrophobicContact CB-CB 4Å
21	S	76.2	Confident	72.6	Confident	67 Å²	67	62.1 Å²	62.1	47%	0.469	37%	0.372	S	S	.	.			trans	45.1	25.7	-176.3	-51.2	0	0	0	0	114.7	Q19 C24 G26	Q19-S21 PolarHBondContact O-N 2.91Å; S21-C24 CarbonylContact C-O 3.49Å; S21-C24 WeakPolarHBondContact CA-O 3.47Å; S21-C24 VanDerWaalsContact O-O 3.08Å; S21-G26 WeakPolarHBondContact OG-CA 3.37Å
22	Y	79.1	Confident	75.2	Confident	122 Å²	122	59.9 Å²	59.9	48%	0.478	34%	0.339	S	S	.	.	S	Bend	trans	-82.5	-51.1	-170.1	-176.5	-104.5	0	0	0	111.5	E20 E48 L49 Q52	E20-Y22 PolarHBondContact O-N 3.13Å; Y22-E48 HydrophobicContact CD1-CB 4.21Å; Y22-E48 HydrophobicContact CD1-CG 4.22Å; Y22-E48 HydrophobicContact CE1-CB 4.16Å; Y22-E48 HydrophobicContact CE1-CG 3.78Å; Y22-L49 HydrophobicContact CD1-CB 4.3Å; Y22-L49 HydrophobicContact CD1-CD1 4.08Å; Y22-L49 HydrophobicContact CD2-CD1 4.03Å; Y22-L49 HydrophobicContact CG-CD1 3.79Å; Y22-Q52 PolarHBondContact OH-NE2 2.97Å
23	A	83.8	Confident	77.7	Confident	32 Å²	32	54 Å²	54	26%	0.264	31%	0.308	S	S	.	.	S	Bend	trans	-110.9	-8.5	174.3	0	0	0	0	0	112.9	R44 C45 E48	A23-R44 HydrophobicContact CB-CB 4.33Å; A23-R44 PolarHBondContact O-NH2 2.95Å; A23-C45 PolarHBondContact N-SG 3.5Å; A23-E48 HydrophobicContact CB-CB 4.14Å
24	C	82.9	Confident	79.6	Confident	11 Å²	11	48.5 Å²	48.5	7%	0.074	28%	0.278	C	S	.	.	S	Bend	trans	-120.8	165.3	175	78.7	0	0	0	0	110.4	C18 S21 G26 D28 C42 C45	C18-C24 PolarHBondContact SG-SG 3.24Å; S21-C24 CarbonylContact C-O 3.49Å; S21-C24 WeakPolarHBondContact CA-O 3.47Å; S21-C24 VanDerWaalsContact O-O 3.08Å; C24-G26 PolarHBondContact O-N 3.4Å; C24-G26 PolarHBondContact SG-N 3.07Å; C24-D28 HydrophobicContact CB-CB 4.16Å; C24-D28 WeakPolarHBondContact CB-OD2 3.34Å; C24-C42 VanDerWaalsContact SG-SG 3.63Å; C24-C45 PolarHBondContact N-SG 3.05Å; C24-C45 VanDerWaalsContact N-SG 3.37Å; C24-C45 PolarHBondContact SG-SG 2.68Å
25	S	77.3	Confident	80.5	Confident	93 Å²	93	49.1 Å²	49.1	65%	0.65	28%	0.279	S	S	*	.			trans	-81.7	16.8	176.1	38	0	0	0	0	114.4	T27	S25-T27 PolarHBondContact O-N 3.43Å; S25-T27 PolarHBondContact OG-OG1 3.17Å
26	G	73.2	Confident	81.2	Confident	20 Å²	20	51.4 Å²	51.4	21%	0.206	28%	0.28	C	S	.	.	S	Bend	trans	70.5	13.4	-172.7	0	0	0	0	0	113.8	C18 S21 C24	C18-G26 WeakPolarHBondContact O-CA 3.46Å; S21-G26 WeakPolarHBondContact OG-CA 3.37Å; C24-G26 PolarHBondContact O-N 3.4Å; C24-G26 PolarHBondContact SG-N 3.07Å
27	T	75.2	Confident	81.1	Confident	91 Å²	91	51.6 Å²	51.6	56%	0.558	28%	0.283	S	S	*	.			trans	-105.2	-3.1	-179	51.2	0	0	0	0	113.3	M17 S25	M17-T27 WeakPolarHBondContact CE-O 3.1Å; S25-T27 PolarHBondContact O-N 3.43Å; S25-T27 PolarHBondContact OG-OG1 3.17Å
28	D	82.9	Confident	80.8	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	29%	0.289	C	S	.	.	S	Bend	trans	-87.1	145.2	178.3	-65.6	4.8	0	0	0	109.2	C18 C24 A30 C42	C18-D28 WeakPolarHBondContact CB-O 3.17Å; C18-D28 PolarHBondContact N-O 3.13Å; C24-D28 HydrophobicContact CB-CB 4.16Å; C24-D28 WeakPolarHBondContact CB-OD2 3.34Å; D28-A30 PolarHBondContact O-N 3.36Å; D28-C42 HydrophobicContact CB-CB 3.59Å
29	E	84.7	Confident	80.7	Confident	133 Å²	133	51.9 Å²	51.9	62%	0.621	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-63	131.7	172	-70	-172.4	164.7	0	0	110	M17 C42	M17-E29 HydrophobicContact SD-CG 4.29Å; E29-C42 VanDerWaalsContact O-CB 3.23Å; E29-C42 WeakPolarHBondContact O-CB 3.41Å
30	A	85	Confident	80.8	Confident	11 Å²	11	48.9 Å²	48.9	9%	0.091	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-69.9	139	170.9	0	0	0	0	0	109	L16 D28 L40 Q41 L63	L16-A30 HydrophobicContact CB-CB 4.4Å; L16-A30 WeakPolarHBondContact O-CB 3.41Å; L16-A30 PolarHBondContact O-N 3.43Å; D28-A30 PolarHBondContact O-N 3.36Å; A30-L40 HydrophobicContact CB-CB 3.7Å; A30-Q41 WeakPolarHBondContact CA-O 3.47Å; A30-L63 HydrophobicContact CB-CD1 3.66Å; A30-L63 WeakPolarHBondContact O-CD1 3.45Å
31	I	86	Confident	81.1	Confident	54 Å²	54	46.5 Å²	46.5	28%	0.277	27%	0.265	S	S	.	.			trans	-122.3	-11.1	174.7	56.2	157.1	0	0	0	111.7	Q41 L43 R62 L63	I31-Q41 PolarHBondContact N-O 2.9Å; I31-L43 HydrophobicContact CD1-CB 3.53Å; I31-L43 HydrophobicContact CD1-CD1 3.75Å; I31-L43 HydrophobicContact CD1-CG 4.17Å; I31-L43 HydrophobicContact CG1-CB 4.31Å; I31-R62 CarbonylContact O-C 3.59Å; I31-R62 WeakPolarHBondContact O-CA 3.44Å; I31-R62 WeakPolarHBondContact O-CG 3.42Å; I31-L63 PolarHBondContact O-N 3.12Å
32	F	84.7	Confident	81.8	Confident	37 Å²	37	43.5 Å²	43.5	16%	0.162	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.1	176.3	-57.1	-70.4	0	0	0	111.4	L40 Q41 L43 E46 R60 I61 R62	F32-L40 CarbonylContact O-C 3.57Å; F32-L40 WeakPolarHBondContact O-CA 3.32Å; F32-Q41 HydrophobicContact CB-CB 4.45Å; F32-Q41 PolarHBondContact N-O 2.86Å; F32-Q41 PolarHBondContact O-N 3.31Å; F32-L43 HydrophobicContact CE2-CD1 4.05Å; F32-E46 HydrophobicContact CD2-CB 3.72Å; F32-E46 HydrophobicContact CD2-CG 3.59Å; F32-E46 HydrophobicContact CE2-CB 4.17Å; F32-E46 HydrophobicContact CE2-CG 3.97Å; F32-E46 HydrophobicContact CG-CG 4.19Å; F32-R60 HydrophobicContact CB-CB 4.38Å; F32-R60 HydrophobicContact CD1-CB 4.41Å; F32-I61 CarbonylContact C-O 3.38Å; F32-I61 VanDerWaalsContact CA-O 3.26Å; F32-I61 WeakPolarHBondContact CA-O 3.44Å; F32-R62 HydrophobicContact CD1-CB 4.18Å; F32-R62 HydrophobicContact CD1-CG 4.34Å; F32-R62 HydrophobicContact CE1-CB 4.18Å; F32-R62 HydrophobicContact CE1-CG 4.11Å
33	E	86.9	Confident	82.2	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.047	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.7	160.7	-175.9	169.9	-133.1	0	0	107.1	L40 R60 I61 L63 H67 P69 Y70 R87	E33-L40 HydrophobicContact CB-CD2 3.88Å; E33-L40 HydrophobicContact CG-CD2 4.1Å; E33-R60 WeakPolarHBondContact O-CA 3.26Å; E33-I61 PolarHBondContact N-O 2.87Å; E33-I61 PolarHBondContact O-N 2.94Å; E33-L63 HydrophobicContact CB-CD2 3.82Å; E33-H67 IonicContact OE2-CD2 4Å; E33-H67 IonicContact OE2-CE1 2.99Å; E33-H67 PolarHBondContact OE2-CE1 3.22Å; E33-H67 IonicContact OE2-NE2 3.04Å; E33-H67 PolarHBondContact OE2-NE2 2.96Å; E33-P69 WeakPolarHBondContact OE1-CA 3.25Å; E33-Y70 HydrophobicContact CG-CD2 4.33Å; E33-Y70 WeakPolarHBondContact OE1-CD2 2.99Å; E33-Y70 PolarHBondContact OE1-N 3.13Å; E33-R87 IonicContact OE1-NH1 2.81Å; E33-R87 IonicContact OE2-CZ 3.58Å; E33-R87 IonicContact OE2-NH1 2.7Å; E33-R87 PolarHBondContact OE2-NH1 3.1Å; E33-R87 IonicContact OE2-NH2 3.12Å
34	C	81	Confident	82.4	Confident	1 Å²	1	47 Å²	47	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.9	177	176.2	0	0	0	0	109.7	C37 C38 S39 H58 E59 R60	C34-C37 HydrophobicContact CB-CB 3.85Å; C34-C37 VanDerWaalsContact SG-CB 3.54Å; C34-C37 PolarHBondContact SG-N 3.33Å; C34-C37 VanDerWaalsContact SG-SG 3.66Å; C34-C38 WeakPolarHBondContact O-CA 3.39Å; C34-C38 PolarHBondContact O-N 2.93Å; C34-S39 PolarHBondContact N-O 2.87Å; C34-S39 PolarHBondContact O-N 3.18Å; C34-H58 VanDerWaalsContact SG-CB 3.56Å; C34-E59 WeakPolarHBondContact CA-O 3.46Å; C34-R60 HydrophobicContact CB-CG 4.11Å
35	D	73.3	Confident	82.5	Confident	62 Å²	62	46.5 Å²	46.5	33%	0.332	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-46.4	-173.8	-167	53.5	0	0	0	111.2	C38 E59 R85	D35-C38 PolarHBondContact O-N 2.79Å; D35-C38 PolarHBondContact O-SG 3.4Å; D35-E59 PolarHBondContact N-O 3.4Å; D35-R85 PolarHBondContact O-NH1 3.23Å
36	E	78.1	Confident	83	Confident	86 Å²	86	43.3 Å²	43.3	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-34.6	-178.4	-56.1	94.6	140.4	0	0	112.9	C38 H58 E59	E36-C38 PolarHBondContact O-N 3.19Å; E36-C38 PolarHBondContact O-SG 3.14Å; E36-H58 HydrophobicContact CB-CB 4.31Å; E36-H58 WeakPolarHBondContact OE1-CA 3.47Å; E36-H58 WeakPolarHBondContact OE2-CA 3.38Å; E36-H58 WeakPolarHBondContact OE2-CB 3.49Å; E36-H58 IonicContact OE2-CG 2.63Å; E36-E59 VanDerWaalsContact CD-N 3.29Å; E36-E59 PolarHBondContact OE1-N 3.07Å; E36-E59 PolarHBondContact OE2-N 3.24Å
37	C	76.5	Confident	83.7	Confident	29 Å²	29	47.3 Å²	47.3	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	169.9	-68.1	0	0	0	0	112.7	E20 C34 S39 L49 H50 H58	E20-C37 WeakPolarHBondContact OE1-CB 3.25Å; C34-C37 HydrophobicContact CB-CB 3.85Å; C34-C37 VanDerWaalsContact SG-CB 3.54Å; C34-C37 PolarHBondContact SG-N 3.33Å; C34-C37 VanDerWaalsContact SG-SG 3.66Å; C37-S39 VanDerWaalsContact C-N 3.29Å; C37-S39 PolarHBondContact O-N 3.42Å; C37-L49 WeakPolarHBondContact SG-CD2 3.5Å; C37-H50 PolarHBondContact SG-NE2 2.83Å; C37-H58 VanDerWaalsContact SG-CE1 3.56Å; C37-H58 PolarHBondContact SG-ND1 2.76Å
38	C	77.7	Confident	84.2	Confident	62 Å²	62	46.5 Å²	46.5	42%	0.419	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	35.6	173.5	-41.5	0	0	0	0	112.8	C34 D35 E36 R85	C34-C38 WeakPolarHBondContact O-CA 3.39Å; C34-C38 PolarHBondContact O-N 2.93Å; D35-C38 PolarHBondContact O-N 2.79Å; D35-C38 PolarHBondContact O-SG 3.4Å; E36-C38 PolarHBondContact O-N 3.19Å; E36-C38 PolarHBondContact O-SG 3.14Å; C38-R85 VanDerWaalsContact CB-NH1 3.29Å; C38-R85 PolarHBondContact SG-NH1 2.86Å; C38-R85 PolarHBondContact SG-NH2 3.15Å
39	S	82.8	Confident	84.2	Confident	9 Å²	9	45 Å²	45	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.2	-165.8	67.7	0	0	0	0	112.7	E20 C34 C37 Q41	E20-S39 PolarHBondContact OE1-OG 2.92Å; C34-S39 PolarHBondContact N-O 2.87Å; C34-S39 PolarHBondContact O-N 3.18Å; C37-S39 VanDerWaalsContact C-N 3.29Å; C37-S39 PolarHBondContact O-N 3.42Å; S39-Q41 WeakPolarHBondContact OG-CG 3.33Å; S39-Q41 PolarHBondContact OG-NE2 2.83Å
40	L	87.1	Confident	84.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.7	164.3	-63.1	167.6	0	0	0	110.5	L16 Q19 A30 F32 E33 L63 P69	L16-L40 HydrophobicContact CB-CD1 4.2Å; L16-L40 HydrophobicContact CD1-CD2 4.41Å; L16-L40 HydrophobicContact CD2-CD1 4.16Å; Q19-L40 HydrophobicContact CG-CB 4.13Å; Q19-L40 PolarHBondContact N-O 3.38Å; A30-L40 HydrophobicContact CB-CB 3.7Å; F32-L40 CarbonylContact O-C 3.57Å; F32-L40 WeakPolarHBondContact O-CA 3.32Å; E33-L40 HydrophobicContact CB-CD2 3.88Å; E33-L40 HydrophobicContact CG-CD2 4.1Å; L40-L63 HydrophobicContact CD2-CD1 3.8Å; L40-L63 HydrophobicContact CD2-CD2 3.96Å; L40-P69 HydrophobicContact CD1-CB 4.09Å; L40-P69 HydrophobicContact CD2-CB 4.29Å; L40-P69 HydrophobicContact CG-CB 4.5Å
41	Q	89.8	Confident	84	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.3	-171.6	-49.6	-174.1	-25.7	0	0	111	E20 A30 I31 F32 S39 E46 H50	E20-Q41 HydrophobicContact CG-CB 4.46Å; E20-Q41 HydrophobicContact CG-CG 3.65Å; E20-Q41 PolarHBondContact OE1-NE2 3.13Å; A30-Q41 WeakPolarHBondContact CA-O 3.47Å; I31-Q41 PolarHBondContact N-O 2.9Å; F32-Q41 HydrophobicContact CB-CB 4.45Å; F32-Q41 PolarHBondContact N-O 2.86Å; F32-Q41 PolarHBondContact O-N 3.31Å; S39-Q41 WeakPolarHBondContact OG-CG 3.33Å; S39-Q41 PolarHBondContact OG-NE2 2.83Å; Q41-E46 HydrophobicContact CB-CB 4.17Å; Q41-H50 PolarHBondContact OE1-CE1 2.9Å; Q41-H50 PolarHBondContact OE1-ND1 3.32Å
42	C	89.7	Confident	83.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.02	22%	0.219	C	C	.	.			trans	-76.9	165.2	165.2	70.1	0	0	0	0	110.3	C18 C24 D28 E29 R44 C45 E46	C18-C42 HydrophobicContact CB-CB 3.82Å; C18-C42 PolarHBondContact SG-N 3.47Å; C24-C42 VanDerWaalsContact SG-SG 3.63Å; D28-C42 HydrophobicContact CB-CB 3.59Å; E29-C42 VanDerWaalsContact O-CB 3.23Å; E29-C42 WeakPolarHBondContact O-CB 3.41Å; C42-R44 VanDerWaalsContact C-N 3.26Å; C42-R44 PolarHBondContact O-N 3.1Å; C42-C45 PolarHBondContact O-N 3.27Å; C42-C45 VanDerWaalsContact O-N 3.15Å; C42-C45 VanDerWaalsContact SG-SG 3.61Å; C42-E46 WeakPolarHBondContact O-CB 3.47Å; C42-E46 PolarHBondContact O-N 3.38Å
43	L	87.2	Confident	82.8	Confident	84 Å²	84	53.2 Å²	53.2	44%	0.44	25%	0.251	S	S	.	.	H	α-helix	trans	-49.8	-47.5	-179.1	-172.5	60.9	0	0	0	112.4	I31 F32 E46 E47	I31-L43 HydrophobicContact CD1-CB 3.53Å; I31-L43 HydrophobicContact CD1-CD1 3.75Å; I31-L43 HydrophobicContact CD1-CG 4.17Å; I31-L43 HydrophobicContact CG1-CB 4.31Å; F32-L43 HydrophobicContact CE2-CD1 4.05Å; L43-E46 PolarHBondContact O-N 2.92Å; L43-E47 HydrophobicContact CD1-CG 4.47Å; L43-E47 WeakPolarHBondContact O-CG 3.19Å; L43-E47 PolarHBondContact O-N 2.9Å
44	R	88.6	Confident	82	Confident	145 Å²	145	61.9 Å²	61.9	55%	0.547	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-40.4	-176.5	-64.5	175.7	62.6	-155.4	-2.7	112.9	A23 C42 E48	A23-R44 HydrophobicContact CB-CB 4.33Å; A23-R44 PolarHBondContact O-NH2 2.95Å; C42-R44 VanDerWaalsContact C-N 3.26Å; C42-R44 PolarHBondContact O-N 3.1Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 PolarHBondContact O-N 2.83Å
45	C	84.9	Confident	81.5	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-71.7	-38.6	177.9	-70.3	0	0	0	0	111	C18 E20 A23 C24 C42 L49	C18-C45 VanDerWaalsContact SG-SG 3.67Å; E20-C45 HydrophobicContact CB-CB 4Å; A23-C45 PolarHBondContact N-SG 3.5Å; C24-C45 PolarHBondContact N-SG 3.05Å; C24-C45 VanDerWaalsContact N-SG 3.37Å; C24-C45 PolarHBondContact SG-SG 2.68Å; C42-C45 PolarHBondContact O-N 3.27Å; C42-C45 VanDerWaalsContact O-N 3.15Å; C42-C45 VanDerWaalsContact SG-SG 3.61Å; C45-L49 WeakPolarHBondContact O-CB 3.36Å; C45-L49 PolarHBondContact O-N 2.92Å
46	E	87.7	Confident	81.6	Confident	26 Å²	26	68.3 Å²	68.3	12%	0.121	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-51.4	175.6	-173.9	-81	150	0	0	111	F32 Q41 C42 L43 E48 H50 R60	F32-E46 HydrophobicContact CD2-CB 3.72Å; F32-E46 HydrophobicContact CD2-CG 3.59Å; F32-E46 HydrophobicContact CE2-CB 4.17Å; F32-E46 HydrophobicContact CE2-CG 3.97Å; F32-E46 HydrophobicContact CG-CG 4.19Å; Q41-E46 HydrophobicContact CB-CB 4.17Å; C42-E46 WeakPolarHBondContact O-CB 3.47Å; C42-E46 PolarHBondContact O-N 3.38Å; L43-E46 PolarHBondContact O-N 2.92Å; E46-E48 PolarHBondContact O-N 2.77Å; E46-H50 VanDerWaalsContact O-CB 3.23Å; E46-H50 WeakPolarHBondContact O-CB 3.18Å; E46-H50 PolarHBondContact O-N 3.19Å; E46-H50 PolarHBondContact O-ND1 3.33Å; E46-H50 VanDerWaalsContact O-ND1 3.13Å; E46-H50 IonicContact OE1-ND1 2.8Å; E46-R60 IonicContact OE1-CZ 2.63Å; E46-R60 IonicContact OE1-NE 2.83Å; E46-R60 IonicContact OE1-NH1 3.36Å; E46-R60 PolarHBondContact OE1-NH1 2.87Å
47	E	87.3	Confident	81.3	Confident	103 Å²	103	70.9 Å²	70.9	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-42	-178.2	-75.3	178.9	169.3	0	0	112.7	L43 R51	L43-E47 HydrophobicContact CD1-CG 4.47Å; L43-E47 WeakPolarHBondContact O-CG 3.19Å; L43-E47 PolarHBondContact O-N 2.9Å; E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.22Å
48	E	86	Confident	81.4	Confident	74 Å²	74	71.3 Å²	71.3	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-79.4	-38.5	-175.3	-161.3	64.8	-141.8	0	0	112.1	Y22 A23 R44 E46 R51	Y22-E48 HydrophobicContact CD1-CB 4.21Å; Y22-E48 HydrophobicContact CD1-CG 4.22Å; Y22-E48 HydrophobicContact CE1-CB 4.16Å; Y22-E48 HydrophobicContact CE1-CG 3.78Å; A23-E48 HydrophobicContact CB-CB 4.14Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 PolarHBondContact O-N 2.83Å; E46-E48 PolarHBondContact O-N 2.77Å; E48-R51 IonicContact OE1-CZ 3.76Å; E48-R51 IonicContact OE1-NH1 3.68Å; E48-R51 PolarHBondContact OE1-NH1 3.3Å; E48-R51 IonicContact OE2-CZ 2.79Å; E48-R51 IonicContact OE2-NH1 3.47Å; E48-R51 PolarHBondContact OE2-NH1 2.79Å; E48-R51 IonicContact OE2-NH2 3.92Å; E48-R51 PolarHBondContact OE2-NH2 3.18Å
49	L	83.3	Confident	81	Confident	16 Å²	16	74.4 Å²	74.4	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-70.8	-41.7	179.1	-161.7	112.2	0	0	0	110.7	Y22 C37 C45 R51 L55	Y22-L49 HydrophobicContact CD1-CB 4.3Å; Y22-L49 HydrophobicContact CD1-CD1 4.08Å; Y22-L49 HydrophobicContact CD2-CD1 4.03Å; Y22-L49 HydrophobicContact CG-CD1 3.79Å; C37-L49 WeakPolarHBondContact SG-CD2 3.5Å; C45-L49 WeakPolarHBondContact O-CB 3.36Å; C45-L49 PolarHBondContact O-N 2.92Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-L55 HydrophobicContact CD2-CD1 3.97Å; L49-L55 HydrophobicContact CG-CD1 4.05Å
50	H	82.4	Confident	80.8	Confident	7 Å²	7	77.4 Å²	77.4	3%	0.032	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.8	-178.7	-61.5	123.2	0	0	0	114.8	C37 Q41 E46 Q52 L55 R56 H58 R60	C37-H50 PolarHBondContact SG-NE2 2.83Å; Q41-H50 PolarHBondContact OE1-CE1 2.9Å; Q41-H50 PolarHBondContact OE1-ND1 3.32Å; E46-H50 VanDerWaalsContact O-CB 3.23Å; E46-H50 WeakPolarHBondContact O-CB 3.18Å; E46-H50 PolarHBondContact O-N 3.19Å; E46-H50 PolarHBondContact O-ND1 3.33Å; E46-H50 VanDerWaalsContact O-ND1 3.13Å; E46-H50 IonicContact OE1-ND1 2.8Å; H50-Q52 PolarHBondContact O-N 3.07Å; H50-L55 PolarHBondContact CD2-O 2.87Å; H50-R56 WeakPolarHBondContact O-CA 3.46Å; H50-H58 AromaticContact NE2-CG 3.95Å; H50-H58 AromaticContact NE2-ND1 3.6Å; H50-R60 PolarHBondContact CD2-NH2 3.3Å; H50-R60 PolarHBondContact CE1-NE 2.79Å; H50-R60 PolarHBondContact ND1-NE 2.82Å
51	R	83.9	Confident	80.4	Confident	159 Å²	159	80.3 Å²	80.3	60%	0.6	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.2	164.9	-164	177.4	-64.4	147.9	9	111.8	E47 E48 L49 E53	E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.22Å; E48-R51 IonicContact OE1-CZ 3.76Å; E48-R51 IonicContact OE1-NH1 3.68Å; E48-R51 PolarHBondContact OE1-NH1 3.3Å; E48-R51 IonicContact OE2-CZ 2.79Å; E48-R51 IonicContact OE2-NH1 3.47Å; E48-R51 PolarHBondContact OE2-NH1 2.79Å; E48-R51 IonicContact OE2-NH2 3.92Å; E48-R51 PolarHBondContact OE2-NH2 3.18Å; L49-R51 VanDerWaalsContact C-N 3.35Å; R51-E53 PolarHBondContact O-N 2.91Å
52	Q	75.1	Confident	80	Confident	62 Å²	62	89.2 Å²	89.2	29%	0.29	39%	0.387	S	S	.	.	S	Bend	trans	-68.6	129.7	177.9	-59.5	-175.6	9	0	0	110.6	Y22 H50 R54 L55 R56	Y22-Q52 PolarHBondContact OH-NE2 2.97Å; H50-Q52 PolarHBondContact O-N 3.07Å; Q52-R54 HydrophobicContact CB-CG 4.45Å; Q52-R54 PolarHBondContact O-N 2.88Å; Q52-R54 VanDerWaalsContact O-N 3.08Å; Q52-L55 PolarHBondContact O-N 3.41Å; Q52-R56 PolarHBondContact O-N 3.42Å
53	E	69.3	Low	79.5	Confident	179 Å²	179	90.6 Å²	90.6	84%	0.836	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.5	-174.3	-165	167.5	-154.6	0	0	113.3	R51 L55	R51-E53 PolarHBondContact O-N 2.91Å; E53-L55 PolarHBondContact O-N 2.9Å
54	R	70.7	Confident	78.8	Confident	191 Å²	191	94.2 Å²	94.2	72%	0.721	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.8	178.2	75.2	-168	175.2	113.3	0.7	115	Q52	Q52-R54 HydrophobicContact CB-CG 4.45Å; Q52-R54 PolarHBondContact O-N 2.88Å; Q52-R54 VanDerWaalsContact O-N 3.08Å
55	L	70.1	Confident	77.7	Confident	24 Å²	24	93.7 Å²	93.7	13%	0.126	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-10.8	-176.5	-49.7	178.7	0	0	0	112	L49 H50 Q52 E53 N57 H58 R60	L49-L55 HydrophobicContact CD2-CD1 3.97Å; L49-L55 HydrophobicContact CG-CD1 4.05Å; H50-L55 PolarHBondContact CD2-O 2.87Å; Q52-L55 PolarHBondContact O-N 3.41Å; E53-L55 PolarHBondContact O-N 2.9Å; L55-N57 PolarHBondContact O-N 2.92Å; L55-H58 VanDerWaalsContact CD2-CE1 3.4Å; L55-H58 WeakPolarHBondContact CD2-CE1 3.45Å; L55-H58 WeakPolarHBondContact O-CB 3.34Å; L55-H58 VanDerWaalsContact O-CG 3.3Å; L55-H58 PolarHBondContact O-N 3.08Å; L55-R60 PolarHBondContact O-NH2 2.91Å; L55-R60 VanDerWaalsContact O-NH2 3.08Å
56	R	75.7	Confident	76.9	Confident	174 Å²	174	96 Å²	96	66%	0.657	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.1	-173.1	-171.4	177.2	178.7	-169.5	0	114.6	H50 Q52 R60	H50-R56 WeakPolarHBondContact O-CA 3.46Å; Q52-R56 PolarHBondContact O-N 3.42Å; R56-R60 PolarHBondContact O-NH2 2.91Å
57	N	72.8	Confident	76.5	Confident	140 Å²	140	96.5 Å²	96.5	75%	0.749	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5.1	-176.3	-64.1	-33.9	0	0	0	114.8	L55	L55-N57 PolarHBondContact O-N 2.92Å
58	H	77.9	Confident	76.3	Confident	38 Å²	38	93 Å²	93	18%	0.176	43%	0.432	C	S	.	.			trans	-58.8	141.7	175	-68.7	-171	0	0	0	111.8	C34 E36 C37 H50 L55 R60	C34-H58 VanDerWaalsContact SG-CB 3.56Å; E36-H58 HydrophobicContact CB-CB 4.31Å; E36-H58 WeakPolarHBondContact OE1-CA 3.47Å; E36-H58 WeakPolarHBondContact OE2-CA 3.38Å; E36-H58 WeakPolarHBondContact OE2-CB 3.49Å; E36-H58 IonicContact OE2-CG 2.63Å; C37-H58 VanDerWaalsContact SG-CE1 3.56Å; C37-H58 PolarHBondContact SG-ND1 2.76Å; H50-H58 AromaticContact NE2-CG 3.95Å; H50-H58 AromaticContact NE2-ND1 3.6Å; L55-H58 VanDerWaalsContact CD2-CE1 3.4Å; L55-H58 WeakPolarHBondContact CD2-CE1 3.45Å; L55-H58 WeakPolarHBondContact O-CB 3.34Å; L55-H58 VanDerWaalsContact O-CG 3.3Å; L55-H58 PolarHBondContact O-N 3.08Å; H58-R60 VanDerWaalsContact O-CD 3.3Å; H58-R60 WeakPolarHBondContact O-CD 3.45Å; H58-R60 PolarHBondContact O-NE 2.99Å; H58-R60 PolarHBondContact O-NH2 3.02Å
59	E	68.3	Low	76.2	Confident	128 Å²	128	89.5 Å²	89.5	60%	0.598	42%	0.416	S	S	*	.			trans	-73.5	129.4	173.5	-168.5	169.8	-175.8	0	0	110.7	C34 D35 E36	C34-E59 WeakPolarHBondContact CA-O 3.46Å; D35-E59 PolarHBondContact N-O 3.4Å; E36-E59 VanDerWaalsContact CD-N 3.29Å; E36-E59 PolarHBondContact OE1-N 3.07Å; E36-E59 PolarHBondContact OE2-N 3.24Å
60	R	79.9	Confident	76.3	Confident	72 Å²	72	91.3 Å²	91.3	27%	0.272	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.7	176.1	-52.9	105.5	-168.7	-160.5	26.2	110.5	F32 E33 C34 E46 H50 L55 R56 H58	F32-R60 HydrophobicContact CB-CB 4.38Å; F32-R60 HydrophobicContact CD1-CB 4.41Å; E33-R60 WeakPolarHBondContact O-CA 3.26Å; C34-R60 HydrophobicContact CB-CG 4.11Å; E46-R60 IonicContact OE1-CZ 2.63Å; E46-R60 IonicContact OE1-NE 2.83Å; E46-R60 IonicContact OE1-NH1 3.36Å; E46-R60 PolarHBondContact OE1-NH1 2.87Å; H50-R60 PolarHBondContact CD2-NH2 3.3Å; H50-R60 PolarHBondContact CE1-NE 2.79Å; H50-R60 PolarHBondContact ND1-NE 2.82Å; L55-R60 PolarHBondContact O-NH2 2.91Å; L55-R60 VanDerWaalsContact O-NH2 3.08Å; R56-R60 PolarHBondContact O-NH2 2.91Å; H58-R60 VanDerWaalsContact O-CD 3.3Å; H58-R60 WeakPolarHBondContact O-CD 3.45Å; H58-R60 PolarHBondContact O-NE 2.99Å; H58-R60 PolarHBondContact O-NH2 3.02Å
61	I	79	Confident	76.5	Confident	62 Å²	62	91.1 Å²	91.1	32%	0.318	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.7	174.1	-57.9	171.8	0	0	0	107.8	F32 E33	F32-I61 CarbonylContact C-O 3.38Å; F32-I61 VanDerWaalsContact CA-O 3.26Å; F32-I61 WeakPolarHBondContact CA-O 3.44Å; E33-I61 PolarHBondContact N-O 2.87Å; E33-I61 PolarHBondContact O-N 2.94Å
62	R	79.7	Confident	76.3	Confident	187 Å²	187	85.7 Å²	85.7	71%	0.706	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.4	173.5	-167.6	175.4	-177.7	176	0.4	110.2	I31 F32	I31-R62 CarbonylContact O-C 3.59Å; I31-R62 WeakPolarHBondContact O-CA 3.44Å; I31-R62 WeakPolarHBondContact O-CG 3.42Å; F32-R62 HydrophobicContact CD1-CB 4.18Å; F32-R62 HydrophobicContact CD1-CG 4.34Å; F32-R62 HydrophobicContact CE1-CB 4.18Å; F32-R62 HydrophobicContact CE1-CG 4.11Å
63	L	79.7	Confident	76.5	Confident	31 Å²	31	86.5 Å²	86.5	16%	0.162	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.3	132	-177.7	-55.6	-175.8	0	0	0	110.6	L16 A30 I31 E33 L40 H67	L16-L63 HydrophobicContact CB-CD1 4.17Å; L16-L63 HydrophobicContact CD1-CD1 3.95Å; A30-L63 HydrophobicContact CB-CD1 3.66Å; A30-L63 WeakPolarHBondContact O-CD1 3.45Å; I31-L63 PolarHBondContact O-N 3.12Å; E33-L63 HydrophobicContact CB-CD2 3.82Å; L40-L63 HydrophobicContact CD2-CD1 3.8Å; L40-L63 HydrophobicContact CD2-CD2 3.96Å; L63-H67 HydrophobicContact CD2-CB 4.42Å; L63-H67 WeakPolarHBondContact CD2-CD2 3.46Å; L63-H67 WeakPolarHBondContact CD2-NE2 3.41Å
64	K	72.3	Confident	76.8	Confident	161 Å²	161	79.3 Å²	79.3	70%	0.7	38%	0.38	S	S	*	.			trans	-108.4	159.5	173.8	-64.5	-175.1	-178.7	-176.3	0	110.6	G66 H67	K64-G66 PolarHBondContact O-N 2.79Å; K64-H67 WeakPolarHBondContact O-CB 3.2Å; K64-H67 PolarHBondContact O-N 3.27Å
65	P	66.3	Low	76.2	Confident	133 Å²	133	78.1 Å²	78.1	86%	0.864	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	126.7	171.3	-25.2	34.8	0	0	0	111
66	G	67.8	Low	75.4	Confident	49 Å²	49	80.2 Å²	80.2	51%	0.505	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	6.3	-175.4	0	0	0	0	0	115.5	K64 V68	K64-G66 PolarHBondContact O-N 2.79Å; G66-V68 PolarHBondContact O-N 3.02Å
67	H	79.1	Confident	73.5	Confident	37 Å²	37	78.8 Å²	78.8	17%	0.171	41%	0.412	C	S	.	.			trans	-58.7	132	175.1	-172.2	92.2	0	0	0	112.3	L16 E33 L63 K64	L16-H67 HydrophobicContact CD1-CB 4.39Å; E33-H67 IonicContact OE2-CD2 4Å; E33-H67 IonicContact OE2-CE1 2.99Å; E33-H67 PolarHBondContact OE2-CE1 3.22Å; E33-H67 IonicContact OE2-NE2 3.04Å; E33-H67 PolarHBondContact OE2-NE2 2.96Å; L63-H67 HydrophobicContact CD2-CB 4.42Å; L63-H67 WeakPolarHBondContact CD2-CD2 3.46Å; L63-H67 WeakPolarHBondContact CD2-NE2 3.41Å; K64-H67 WeakPolarHBondContact O-CB 3.2Å; K64-H67 PolarHBondContact O-N 3.27Å
68	V	84.5	Confident	71.9	Confident	28 Å²	28	78.2 Å²	78.2	17%	0.17	42%	0.418	C	S	.	.			trans	-104.4	113.4	177	-179.1	0	0	0	0	109	G66 R87 A88 Y121	G66-V68 PolarHBondContact O-N 3.02Å; V68-R87 HydrophobicContact CG1-CB 4.28Å; V68-R87 WeakPolarHBondContact O-CD 2.93Å; V68-R87 PolarHBondContact O-NH1 3.42Å; V68-A88 WeakPolarHBondContact CG1-O 3.39Å; V68-Y121 HydrophobicContact CG1-CD2 4.2Å; V68-Y121 HydrophobicContact CG1-CG 4.08Å; V68-Y121 HydrophobicContact CG2-CD1 4.36Å; V68-Y121 HydrophobicContact CG2-CG 4.37Å
69	P	83.5	Confident	70	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.006	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-69.9	163.6	-177.7	29.4	-35.4	0	0	0	112.5	L16 E33 L40 A88 N98 Y121	L16-P69 HydrophobicContact CD2-CG 4.03Å; E33-P69 WeakPolarHBondContact OE1-CA 3.25Å; L40-P69 HydrophobicContact CD1-CB 4.09Å; L40-P69 HydrophobicContact CD2-CB 4.29Å; L40-P69 HydrophobicContact CG-CB 4.5Å; P69-A88 WeakPolarHBondContact O-CB 3.38Å; P69-A88 PolarHBondContact O-N 2.88Å; P69-N98 HydrophobicContact CG-CB 3.92Å; P69-N98 WeakPolarHBondContact CG-ND2 3.2Å; P69-Y121 HydrophobicContact CG-CE2 4.28Å; P69-Y121 WeakPolarHBondContact CG-OH 3.49Å
70	Y	85.8	Confident	68.4	Low	55 Å²	55	82.3 Å²	82.3	22%	0.216	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-65.5	158.3	169	-71.4	-67.7	0	0	0	112.2	E33 D72 R85 R87	E33-Y70 HydrophobicContact CG-CD2 4.33Å; E33-Y70 WeakPolarHBondContact OE1-CD2 2.99Å; E33-Y70 PolarHBondContact OE1-N 3.13Å; Y70-D72 PolarHBondContact O-N 3.43Å; Y70-R85 HydrophobicContact CD1-CB 3.78Å; Y70-R85 HydrophobicContact CE1-CB 4.14Å; Y70-R85 HydrophobicContact CG-CB 4.39Å; Y70-R87 VanDerWaalsContact CZ-NH2 3.32Å; Y70-R87 PolarHBondContact OH-NH2 2.75Å
71	C	85.2	Confident	66.2	Low	3 Å²	3	86.6 Å²	86.6	2%	0.02	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-71	119.1	172.9	175.3	0	0	0	0	111.1	L73 C74 Q86 N98 C100 C103	C71-L73 PolarHBondContact O-N 3.26Å; C71-L73 VanDerWaalsContact O-N 3.17Å; C71-C74 HydrophobicContact CB-CB 4.13Å; C71-C74 PolarHBondContact O-N 2.94Å; C71-C74 VanDerWaalsContact O-N 3.17Å; C71-Q86 VanDerWaalsContact CB-O 3.28Å; C71-Q86 WeakPolarHBondContact CB-O 3.48Å; C71-Q86 PolarHBondContact N-O 3.5Å; C71-N98 WeakPolarHBondContact CA-O 3.42Å; C71-C100 HydrophobicContact CB-CB 3.77Å; C71-C100 PolarHBondContact SG-N 2.82Å; C71-C103 VanDerWaalsContact SG-CB 3.56Å
72	D	81.1	Confident	64.2	Low	45 Å²	45	89.7 Å²	89.7	24%	0.241	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.7	-176.8	-59.9	-30.9	0	0	0	112.5	Q19 Y70 I97 N98	Q19-D72 PolarHBondContact NE2-OD1 3.42Å; Q19-D72 PolarHBondContact NE2-OD2 2.75Å; Y70-D72 PolarHBondContact O-N 3.43Å; D72-I97 HydrophobicContact CB-CB 4.41Å; D72-I97 WeakPolarHBondContact OD2-CA 3.13Å; D72-I97 WeakPolarHBondContact OD2-CB 3.34Å; D72-N98 PolarHBondContact N-O 2.86Å; D72-N98 PolarHBondContact OD2-N 3.39Å
73	L	77.6	Confident	62.7	Low	78 Å²	78	83.7 Å²	83.7	41%	0.408	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.4	-177.7	-67.1	-176.1	0	0	0	114.2	C71 K75 I97 L99 C103 T107	C71-L73 PolarHBondContact O-N 3.26Å; C71-L73 VanDerWaalsContact O-N 3.17Å; L73-K75 PolarHBondContact O-N 3.48Å; L73-I97 HydrophobicContact CD1-CD1 4.13Å; L73-I97 HydrophobicContact CG-CD1 4.45Å; L73-L99 HydrophobicContact CB-CD2 4.17Å; L73-L99 HydrophobicContact CD1-CD2 3.37Å; L73-L99 HydrophobicContact CG-CD2 3.77Å; L73-C103 HydrophobicContact CB-CB 4.17Å; L73-T107 HydrophobicContact CD1-CG2 3.54Å
74	C	76.1	Confident	61.7	Low	28 Å²	28	88 Å²	88	19%	0.189	53%	0.53	C	S	.	.			trans	-75.9	76.4	172	-77	0	0	0	0	109.2	C71 C100	C71-C74 HydrophobicContact CB-CB 4.13Å; C71-C74 PolarHBondContact O-N 2.94Å; C71-C74 VanDerWaalsContact O-N 3.17Å; C74-C100 VanDerWaalsContact SG-SG 3.65Å
75	K	59.1	Low	61.6	Low	167 Å²	167	84 Å²	84	73%	0.726	51%	0.51	S	S	*	.			trans	-94.3	128.1	164.9	-64.6	-170	178.9	-173	0	107.7	L73 L77	L73-K75 PolarHBondContact O-N 3.48Å; K75-L77 PolarHBondContact O-N 2.89Å
76	G	52.3	Low	62.2	Low	67 Å²	67	82.9 Å²	82.9	69%	0.691	49%	0.493	S	S	*	.			trans	-51.4	110.6	171.9	0	0	0	0	0	108.5	S78	G76-S78 PolarHBondContact O-N 2.84Å
77	L	36.3	Very low	63	Low	145 Å²	145	85 Å²	85	76%	0.759	49%	0.486	S	S	*	.			trans	-60.5	132.3	178	-86.1	152.7	0	0	0	107.8	K75 G79	K75-L77 PolarHBondContact O-N 2.89Å; L77-G79 PolarHBondContact O-N 3.2Å
78	S	38	Very low	63.3	Low	127 Å²	127	83.2 Å²	83.2	89%	0.888	48%	0.478	S	S	*	.	S	Bend	trans	-44	120.2	175.5	-53.9	0	0	0	0	111.6	G76	G76-S78 PolarHBondContact O-N 2.84Å
79	G	38.8	Very low	63.3	Low	64 Å²	64	84.3 Å²	84.3	66%	0.66	48%	0.482	S	S	*	.	S	Bend	trans	86.1	107.6	167.6	0	0	0	0	0	115.2	L77	L77-G79 PolarHBondContact O-N 3.2Å
80	H	35	Very low	63.3	Low	188 Å²	188	84.4 Å²	84.4	87%	0.87	48%	0.483	S	S	*	.	S	Bend	trans	80.3	109.9	170.9	-61.2	-73.1	0	0	0	117.8
81	L	32.3	Very low	63.4	Low	162 Å²	162	82.9 Å²	82.9	85%	0.848	48%	0.477	S	S	*	.			trans	83.4	128	176.5	-68.9	146.6	0	0	0	117.3	G83	L81-G83 PolarHBondContact O-N 3.33Å; L81-G83 VanDerWaalsContact O-N 3.15Å
82	P	38.8	Very low	63.3	Low	128 Å²	128	82.7 Å²	82.7	83%	0.831	48%	0.476	S	S	*	.			trans	-77.3	100.8	173.7	29.9	-27.5	0	0	0	109.5	V84	P82-V84 PolarHBondContact O-N 3.26Å
83	G	48.2	Very low	63.2	Low	60 Å²	60	84 Å²	84	62%	0.619	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-75.4	118.3	175.9	0	0	0	0	0	111.8	L81 R85	L81-G83 PolarHBondContact O-N 3.33Å; L81-G83 VanDerWaalsContact O-N 3.15Å; G83-R85 PolarHBondContact O-N 2.8Å
84	V	58	Low	63.2	Low	122 Å²	122	84.1 Å²	84.1	74%	0.739	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-55.2	130	170.5	179	0	0	0	0	110.1	P82 Q86	P82-V84 PolarHBondContact O-N 3.26Å; V84-Q86 PolarHBondContact O-N 3.39Å
85	R	69.5	Low	63.4	Low	77 Å²	77	85.3 Å²	85.3	29%	0.291	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.5	134	173.9	-80.7	-175.3	164	153.2	7.1	111	D35 C38 Y70 G83	D35-R85 PolarHBondContact O-NH1 3.23Å; C38-R85 VanDerWaalsContact CB-NH1 3.29Å; C38-R85 PolarHBondContact SG-NH1 2.86Å; C38-R85 PolarHBondContact SG-NH2 3.15Å; Y70-R85 HydrophobicContact CD1-CB 3.78Å; Y70-R85 HydrophobicContact CE1-CB 4.14Å; Y70-R85 HydrophobicContact CG-CB 4.39Å; G83-R85 PolarHBondContact O-N 2.8Å
86	Q	78.4	Confident	64.3	Low	109 Å²	109	84.5 Å²	84.5	51%	0.509	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-95.4	141.9	178.1	-63.2	-63.1	-38.8	0	0	110	C71 V84 C100	C71-Q86 VanDerWaalsContact CB-O 3.28Å; C71-Q86 WeakPolarHBondContact CB-O 3.48Å; C71-Q86 PolarHBondContact N-O 3.5Å; V84-Q86 PolarHBondContact O-N 3.39Å; Q86-C100 HydrophobicContact CB-CB 3.67Å
87	R	84.8	Confident	65.6	Low	93 Å²	93	83.4 Å²	83.4	35%	0.351	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-65	145	171.5	-71.3	-75.2	178.9	-167.4	-7.4	110.2	E33 V68 Y70 C100	E33-R87 IonicContact OE1-NH1 2.81Å; E33-R87 IonicContact OE2-CZ 3.58Å; E33-R87 IonicContact OE2-NH1 2.7Å; E33-R87 PolarHBondContact OE2-NH1 3.1Å; E33-R87 IonicContact OE2-NH2 3.12Å; V68-R87 HydrophobicContact CG1-CB 4.28Å; V68-R87 WeakPolarHBondContact O-CD 2.93Å; V68-R87 PolarHBondContact O-NH1 3.42Å; Y70-R87 VanDerWaalsContact CZ-NH2 3.32Å; Y70-R87 PolarHBondContact OH-NH2 2.75Å; R87-C100 WeakPolarHBondContact O-CB 3.36Å
88	A	85.2	Confident	68	Low	1 Å²	1	76.5 Å²	76.5	1%	0.008	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-69.6	143	176	0	0	0	0	0	110.6	V68 P69 N98 L99 Y121	V68-A88 WeakPolarHBondContact CG1-O 3.39Å; P69-A88 WeakPolarHBondContact O-CB 3.38Å; P69-A88 PolarHBondContact O-N 2.88Å; A88-N98 HydrophobicContact CB-CB 3.63Å; A88-L99 CarbonylContact C-O 3.5Å; A88-L99 WeakPolarHBondContact CA-O 3.28Å; A88-Y121 HydrophobicContact CB-CD2 4.14Å; A88-Y121 HydrophobicContact CB-CE2 3.94Å
89	I	85.4	Confident	70.2	Confident	50 Å²	50	70.4 Å²	70.4	26%	0.256	39%	0.388	S	S	.	.	S	Bend	trans	-106.8	-18.9	171.4	62.5	153.6	0	0	0	111.6	L99 L101 Y121	I89-L99 PolarHBondContact N-O 3.5Å; I89-L101 HydrophobicContact CD1-CB 3.65Å; I89-L101 HydrophobicContact CD1-CD1 3.49Å; I89-L101 VanDerWaalsContact CD1-CD1 3.49Å; I89-L101 HydrophobicContact CD1-CG 4.15Å; I89-L101 HydrophobicContact CG1-CB 4.28Å; I89-Y121 PolarHBondContact O-N 3.43Å
90	V	83.8	Confident	72.5	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.024	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.2	176.7	-61.3	0	0	0	0	111.4	L99 Q104 V118 T119 V120	V90-L99 HydrophobicContact CG2-CB 3.99Å; V90-L99 PolarHBondContact N-O 3.36Å; V90-L99 PolarHBondContact O-N 3Å; V90-Q104 HydrophobicContact CG2-CB 4.07Å; V90-Q104 HydrophobicContact CG2-CG 3.76Å; V90-V118 HydrophobicContact CB-CB 4.22Å; V90-V118 HydrophobicContact CG2-CG1 4.5Å; V90-T119 CarbonylContact C-O 3.59Å; V90-T119 VanDerWaalsContact CA-O 3.23Å; V90-T119 WeakPolarHBondContact CA-O 3.17Å; V90-V120 HydrophobicContact CG1-CG2 4.14Å
91	R	86.5	Confident	74.8	Confident	22 Å²	22	63.1 Å²	63.1	8%	0.083	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.9	164.1	-177.4	168.1	-179.8	73.4	1.8	109.4	Q93 K96 N98 V118 T119 Y121	R91-Q93 PolarHBondContact O-N 3.22Å; R91-K96 PolarHBondContact NH1-O 3.48Å; R91-K96 VanDerWaalsContact NH1-O 3.13Å; R91-K96 PolarHBondContact NH2-O 3.37Å; R91-N98 PolarHBondContact NH1-OD1 3.27Å; R91-V118 CarbonylContact O-C 3.59Å; R91-V118 VanDerWaalsContact O-CA 3.28Å; R91-V118 WeakPolarHBondContact O-CA 3.48Å; R91-T119 PolarHBondContact N-O 3.45Å; R91-T119 PolarHBondContact O-N 3.42Å; R91-Y121 HydrophobicContact CB-CE2 3.96Å
92	C	83.2	Confident	77.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	115.4	172.8	-179	0	0	0	0	109.2	T94 C95 K96 I97 L99 H108 H116 V118	C92-T94 VanDerWaalsContact C-N 3.3Å; C92-T94 PolarHBondContact O-N 3.32Å; C92-C95 HydrophobicContact CB-CB 4.05Å; C92-C95 VanDerWaalsContact SG-CB 3.59Å; C92-C95 PolarHBondContact SG-N 3.21Å; C92-K96 VanDerWaalsContact O-CA 3.22Å; C92-K96 WeakPolarHBondContact O-CA 3.36Å; C92-K96 PolarHBondContact O-N 3.42Å; C92-I97 HydrophobicContact CB-CG1 4.25Å; C92-I97 PolarHBondContact N-O 2.69Å; C92-L99 HydrophobicContact CB-CD1 4.49Å; C92-H108 PolarHBondContact SG-NE2 3.23Å; C92-H116 WeakPolarHBondContact SG-CB 3.48Å; C92-V118 HydrophobicContact CB-CG1 4.45Å
93	Q	79.6	Confident	79.2	Confident	73 Å²	73	54.4 Å²	54.4	34%	0.341	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-28.6	-176.8	-65	-60.1	-24.2	0	0	112.2	R91 P117 T119	R91-Q93 PolarHBondContact O-N 3.22Å; Q93-P117 HydrophobicContact CB-CB 4.43Å; Q93-P117 HydrophobicContact CB-CG 4.23Å; Q93-P117 WeakPolarHBondContact CB-O 3.28Å; Q93-P117 PolarHBondContact N-O 3.45Å; Q93-T119 PolarHBondContact NE2-OG1 3.46Å
94	T	78.9	Confident	80.9	Confident	80 Å²	80	53 Å²	53	49%	0.491	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-48	176.1	-52.8	0	0	0	0	112.1	C92 K96 P117	C92-T94 VanDerWaalsContact C-N 3.3Å; C92-T94 PolarHBondContact O-N 3.32Å; T94-K96 VanDerWaalsContact C-N 3.34Å; T94-P117 WeakPolarHBondContact OG1-CD 3.23Å
95	C	79.3	Confident	82	Confident	53 Å²	53	52.6 Å²	52.6	36%	0.358	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.3	-178.7	-64.2	0	0	0	0	113.4	C92 I97 H116	C92-C95 HydrophobicContact CB-CB 4.05Å; C92-C95 VanDerWaalsContact SG-CB 3.59Å; C92-C95 PolarHBondContact SG-N 3.21Å; C95-I97 HydrophobicContact CB-CD1 3.93Å; C95-I97 HydrophobicContact CB-CG1 3.72Å; C95-I97 PolarHBondContact O-N 3.11Å; C95-H116 PolarHBondContact SG-CE1 3.2Å; C95-H116 PolarHBondContact SG-ND1 3.4Å
96	K	77.9	Confident	82.3	Confident	150 Å²	150	55.9 Å²	55.9	65%	0.652	26%	0.264	S	S	*	.			trans	55.9	24.9	-174.9	-59.5	-171.3	176.6	-175.9	0	114.9	R91 C92 T94	R91-K96 PolarHBondContact NH1-O 3.48Å; R91-K96 VanDerWaalsContact NH1-O 3.13Å; R91-K96 PolarHBondContact NH2-O 3.37Å; C92-K96 VanDerWaalsContact O-CA 3.22Å; C92-K96 WeakPolarHBondContact O-CA 3.36Å; C92-K96 PolarHBondContact O-N 3.42Å; T94-K96 VanDerWaalsContact C-N 3.34Å
97	I	80.4	Confident	82	Confident	43 Å²	43	52.9 Å²	52.9	22%	0.221	25%	0.253	C	S	.	.			trans	-110.3	151.5	179.4	62.7	-178	0	0	0	112.4	D72 L73 C92 C95 L99	D72-I97 HydrophobicContact CB-CB 4.41Å; D72-I97 WeakPolarHBondContact OD2-CA 3.13Å; D72-I97 WeakPolarHBondContact OD2-CB 3.34Å; L73-I97 HydrophobicContact CD1-CD1 4.13Å; L73-I97 HydrophobicContact CG-CD1 4.45Å; C92-I97 HydrophobicContact CB-CG1 4.25Å; C92-I97 PolarHBondContact N-O 2.69Å; C95-I97 HydrophobicContact CB-CD1 3.93Å; C95-I97 HydrophobicContact CB-CG1 3.72Å; C95-I97 PolarHBondContact O-N 3.11Å; I97-L99 HydrophobicContact CD1-CD1 4.25Å; I97-L99 HydrophobicContact CD1-CD2 3.9Å; I97-L99 HydrophobicContact CD1-CG 4.29Å; I97-L99 HydrophobicContact CG1-CD1 4.23Å; I97-L99 HydrophobicContact CG1-CD2 4.19Å; I97-L99 HydrophobicContact CG1-CG 4.12Å
98	N	86.3	Confident	81.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.2	176.7	-52.5	-48.9	0	0	0	109.8	P69 C71 D72 A88 R91 Y121	P69-N98 HydrophobicContact CG-CB 3.92Å; P69-N98 WeakPolarHBondContact CG-ND2 3.2Å; C71-N98 WeakPolarHBondContact CA-O 3.42Å; D72-N98 PolarHBondContact N-O 2.86Å; D72-N98 PolarHBondContact OD2-N 3.39Å; A88-N98 HydrophobicContact CB-CB 3.63Å; R91-N98 PolarHBondContact NH1-OD1 3.27Å; N98-Y121 PolarHBondContact OD1-OH 2.93Å
99	L	84.5	Confident	80.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.9	-171.2	-61	170	0	0	0	111.5	L73 A88 I89 V90 C92 I97 C103 Q104 H108	L73-L99 HydrophobicContact CB-CD2 4.17Å; L73-L99 HydrophobicContact CD1-CD2 3.37Å; L73-L99 HydrophobicContact CG-CD2 3.77Å; A88-L99 CarbonylContact C-O 3.5Å; A88-L99 WeakPolarHBondContact CA-O 3.28Å; I89-L99 PolarHBondContact N-O 3.5Å; V90-L99 HydrophobicContact CG2-CB 3.99Å; V90-L99 PolarHBondContact N-O 3.36Å; V90-L99 PolarHBondContact O-N 3Å; C92-L99 HydrophobicContact CB-CD1 4.49Å; I97-L99 HydrophobicContact CD1-CD1 4.25Å; I97-L99 HydrophobicContact CD1-CD2 3.9Å; I97-L99 HydrophobicContact CD1-CG 4.29Å; I97-L99 HydrophobicContact CG1-CD1 4.23Å; I97-L99 HydrophobicContact CG1-CD2 4.19Å; I97-L99 HydrophobicContact CG1-CG 4.12Å; L99-C103 HydrophobicContact CB-CB 4.5Å; L99-C103 HydrophobicContact CD2-CB 4Å; L99-Q104 HydrophobicContact CB-CB 4.13Å; L99-H108 VanDerWaalsContact CD1-ND1 3.3Å; L99-H108 WeakPolarHBondContact CD1-ND1 3.45Å
100	C	86.9	Confident	78.9	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.054	27%	0.271	C	S	.	.			trans	-71	169.2	164.3	74.1	0	0	0	0	110.3	C71 C74 Q86 R87 E102 C103 Q104	C71-C100 HydrophobicContact CB-CB 3.77Å; C71-C100 PolarHBondContact SG-N 2.82Å; C74-C100 VanDerWaalsContact SG-SG 3.65Å; Q86-C100 HydrophobicContact CB-CB 3.67Å; R87-C100 WeakPolarHBondContact O-CB 3.36Å; C100-E102 VanDerWaalsContact C-N 3.27Å; C100-E102 PolarHBondContact O-N 2.83Å; C100-C103 PolarHBondContact O-N 3.45Å; C100-C103 PolarHBondContact SG-N 2.98Å; C100-C103 VanDerWaalsContact SG-N 3.4Å; C100-C103 VanDerWaalsContact SG-SG 3.61Å; C100-Q104 WeakPolarHBondContact O-CB 3.48Å; C100-Q104 PolarHBondContact O-N 3.33Å
101	L	82	Confident	77.2	Confident	90 Å²	90	56.6 Å²	56.6	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-55.7	-43.1	-176.2	-177.7	62.7	0	0	0	112.5	I89 K105	I89-L101 HydrophobicContact CD1-CB 3.65Å; I89-L101 HydrophobicContact CD1-CD1 3.49Å; I89-L101 VanDerWaalsContact CD1-CD1 3.49Å; I89-L101 HydrophobicContact CD1-CG 4.15Å; I89-L101 HydrophobicContact CG1-CB 4.28Å; L101-K105 WeakPolarHBondContact O-CG 3.29Å; L101-K105 PolarHBondContact O-N 3.12Å
102	E	81.8	Confident	75.6	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	35%	0.354	S	S	.	.	H	α-helix	trans	-70.5	-45.2	-178	-172.7	57.1	-155.2	0	0	111.6	C100 Q104 K105 R106	C100-E102 VanDerWaalsContact C-N 3.27Å; C100-E102 PolarHBondContact O-N 2.83Å; E102-Q104 VanDerWaalsContact C-N 3.34Å; E102-Q104 PolarHBondContact O-N 3.4Å; E102-K105 PolarHBondContact O-N 3.42Å; E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.35Å; E102-R106 IonicContact OE1-CZ 3.28Å; E102-R106 VanDerWaalsContact OE1-CZ 3.32Å; E102-R106 IonicContact OE1-NE 2.76Å; E102-R106 PolarHBondContact OE1-NE 3.45Å; E102-R106 IonicContact OE1-NH2 2.83Å; E102-R106 PolarHBondContact OE1-NH2 3.4Å
103	C	82.3	Confident	74.4	Confident	16 Å²	16	68.9 Å²	68.9	11%	0.108	38%	0.376	C	S	.	.	H	α-helix	trans	-65.7	-37.6	176.8	-72	0	0	0	0	111.7	C71 L73 L99 C100 R106 T107	C71-C103 VanDerWaalsContact SG-CB 3.56Å; L73-C103 HydrophobicContact CB-CB 4.17Å; L99-C103 HydrophobicContact CB-CB 4.5Å; L99-C103 HydrophobicContact CD2-CB 4Å; C100-C103 PolarHBondContact O-N 3.45Å; C100-C103 PolarHBondContact SG-N 2.98Å; C100-C103 VanDerWaalsContact SG-N 3.4Å; C100-C103 VanDerWaalsContact SG-SG 3.61Å; C103-R106 PolarHBondContact O-N 2.87Å; C103-T107 WeakPolarHBondContact O-CB 3.48Å; C103-T107 PolarHBondContact O-N 2.78Å; C103-T107 PolarHBondContact O-OG1 2.84Å
104	Q	85.1	Confident	73.4	Confident	31 Å²	31	75.9 Å²	75.9	15%	0.145	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-47.8	172.9	-176.5	-171.8	8.5	0	0	110.9	V90 L99 C100 E102 R106 T107 H108 S109	V90-Q104 HydrophobicContact CG2-CB 4.07Å; V90-Q104 HydrophobicContact CG2-CG 3.76Å; L99-Q104 HydrophobicContact CB-CB 4.13Å; C100-Q104 WeakPolarHBondContact O-CB 3.48Å; C100-Q104 PolarHBondContact O-N 3.33Å; E102-Q104 VanDerWaalsContact C-N 3.34Å; E102-Q104 PolarHBondContact O-N 3.4Å; Q104-R106 PolarHBondContact O-N 3.04Å; Q104-T107 PolarHBondContact O-N 2.84Å; Q104-H108 HydrophobicContact CG-CB 4.42Å; Q104-H108 WeakPolarHBondContact O-CA 3.36Å; Q104-H108 PolarHBondContact O-N 3.27Å; Q104-S109 PolarHBondContact O-N 3.36Å; Q104-S109 PolarHBondContact O-OG 3.28Å
105	K	79.4	Confident	72.7	Confident	113 Å²	113	83.5 Å²	83.5	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-59.2	-46.1	178.6	-76	176.6	-177.1	178.5	0	112.3	L101 E102 T107 S109	L101-K105 WeakPolarHBondContact O-CG 3.29Å; L101-K105 PolarHBondContact O-N 3.12Å; E102-K105 PolarHBondContact O-N 3.42Å; K105-T107 PolarHBondContact O-N 3.24Å; K105-S109 PolarHBondContact O-N 3.25Å
106	R	77.6	Confident	72.7	Confident	147 Å²	147	83.7 Å²	83.7	56%	0.555	42%	0.415	S	S	*	.	H	α-helix	trans	-64.8	-39	179.6	-69.3	176	-172.2	-164.3	1.4	113	E102 C103 Q104 K113	E102-R106 WeakPolarHBondContact O-CG 3.44Å; E102-R106 PolarHBondContact O-N 3.35Å; E102-R106 IonicContact OE1-CZ 3.28Å; E102-R106 VanDerWaalsContact OE1-CZ 3.32Å; E102-R106 IonicContact OE1-NE 2.76Å; E102-R106 PolarHBondContact OE1-NE 3.45Å; E102-R106 IonicContact OE1-NH2 2.83Å; E102-R106 PolarHBondContact OE1-NH2 3.4Å; C103-R106 PolarHBondContact O-N 2.87Å; Q104-R106 PolarHBondContact O-N 3.04Å; R106-K113 PolarHBondContact O-NZ 3.35Å
107	T	71.8	Confident	72.7	Confident	46 Å²	46	80.4 Å²	80.4	28%	0.282	41%	0.409	S	S	.	.	H	α-helix	trans	-97.7	-32.4	-171.6	55.9	0	0	0	0	114.4	L73 C103 Q104 K105 K113	L73-T107 HydrophobicContact CD1-CG2 3.54Å; C103-T107 WeakPolarHBondContact O-CB 3.48Å; C103-T107 PolarHBondContact O-N 2.78Å; C103-T107 PolarHBondContact O-OG1 2.84Å; Q104-T107 PolarHBondContact O-N 2.84Å; K105-T107 PolarHBondContact O-N 3.24Å; T107-K113 WeakPolarHBondContact O-CD 3.43Å
108	H	72.1	Confident	72.7	Confident	30 Å²	30	81.1 Å²	81.1	14%	0.139	42%	0.415	C	S	.	.	H	α-helix	trans	-128.8	-9.3	-167.8	-69.6	81.9	0	0	0	115.1	C92 L99 Q104 H116	C92-H108 PolarHBondContact SG-NE2 3.23Å; L99-H108 VanDerWaalsContact CD1-ND1 3.3Å; L99-H108 WeakPolarHBondContact CD1-ND1 3.45Å; Q104-H108 HydrophobicContact CG-CB 4.42Å; Q104-H108 WeakPolarHBondContact O-CA 3.36Å; Q104-H108 PolarHBondContact O-N 3.27Å; H108-H116 AromaticContact CD2-ND1 3.56Å; H108-H116 AromaticContact NE2-ND1 3.24Å; H108-H116 PolarHBondContact NE2-ND1 3.12Å
109	S	62	Low	72.5	Confident	73 Å²	73	83.5 Å²	83.5	51%	0.51	43%	0.429	S	S	.	.	S	Bend	trans	-110.5	7.4	-177.5	-42.2	0	0	0	0	115.7	Q104 K105	Q104-S109 PolarHBondContact O-N 3.36Å; Q104-S109 PolarHBondContact O-OG 3.28Å; K105-S109 PolarHBondContact O-N 3.25Å
110	G	55.1	Low	72.2	Confident	33 Å²	33	87.8 Å²	87.8	34%	0.34	46%	0.455	S	S	.	.	S	Bend	trans	-84	137.3	177.2	0	0	0	0	0	113.2	N112 K113	G110-N112 PolarHBondContact O-N 3.48Å; G110-K113 PolarHBondContact O-N 3.34Å
111	G	49.3	Very low	71.8	Confident	89 Å²	89	88.9 Å²	88.9	92%	0.918	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-4.1	-166.1	0	0	0	0	0	119.5
112	N	52.9	Low	70.8	Confident	173 Å²	173	91.4 Å²	91.4	93%	0.925	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	13.2	176.6	-82.3	-14.7	0	0	0	114.1	G110	G110-N112 PolarHBondContact O-N 3.48Å
113	K	57.8	Low	69.5	Low	108 Å²	108	90.9 Å²	90.9	47%	0.47	48%	0.475	S	S	.	.	S	Bend	trans	-103.6	141.6	-177.6	-60.4	-173	-177.8	-177.7	0	111.8	R106 T107 G110 R115	R106-K113 PolarHBondContact O-NZ 3.35Å; T107-K113 WeakPolarHBondContact O-CD 3.43Å; G110-K113 PolarHBondContact O-N 3.34Å; K113-R115 PolarHBondContact O-N 3.25Å
114	R	57.7	Low	67.6	Low	219 Å²	219	95.4 Å²	95.4	83%	0.826	51%	0.507	S	S	*	.			trans	-55.7	124.3	176.1	-71.4	-177.7	178.5	178.2	-0.5	109.3	H116	R114-H116 PolarHBondContact O-N 3.45Å; R114-H116 VanDerWaalsContact O-N 3.12Å
115	R	65.4	Low	65.3	Low	241 Å²	241	99.9 Å²	99.9	91%	0.909	53%	0.532	S	S	*	.			trans	-71.3	105.1	177.7	-64.2	-172.8	-162.5	-162.7	5.3	109.1	K113	K113-R115 PolarHBondContact O-N 3.25Å
116	H	78.6	Confident	63.5	Low	57 Å²	57	100.1 Å²	100.1	26%	0.264	54%	0.538	S	S	.	.			trans	-82.7	141.9	172.3	-63.8	160.9	0	0	0	110.7	C92 C95 H108 R114 V118	C92-H116 WeakPolarHBondContact SG-CB 3.48Å; C95-H116 PolarHBondContact SG-CE1 3.2Å; C95-H116 PolarHBondContact SG-ND1 3.4Å; H108-H116 AromaticContact CD2-ND1 3.56Å; H108-H116 AromaticContact NE2-ND1 3.24Å; H108-H116 PolarHBondContact NE2-ND1 3.12Å; R114-H116 PolarHBondContact O-N 3.45Å; R114-H116 VanDerWaalsContact O-N 3.12Å; H116-V118 PolarHBondContact O-N 3.08Å
117	P	77.1	Confident	61.6	Low	81 Å²	81	102.6 Å²	102.6	53%	0.526	56%	0.556	S	S	.	*			trans	-58	128.2	168.6	21.9	-32.8	0	0	0	110.6	Q93 T94	Q93-P117 HydrophobicContact CB-CB 4.43Å; Q93-P117 HydrophobicContact CB-CG 4.23Å; Q93-P117 WeakPolarHBondContact CB-O 3.28Å; Q93-P117 PolarHBondContact N-O 3.45Å; T94-P117 WeakPolarHBondContact OG1-CD 3.23Å
118	V	81.4	Confident	59.6	Low	57 Å²	57	103.8 Å²	103.8	35%	0.345	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.7	141.2	177.6	-67.3	0	0	0	0	110.1	V90 R91 C92 H116	V90-V118 HydrophobicContact CB-CB 4.22Å; V90-V118 HydrophobicContact CG2-CG1 4.5Å; R91-V118 CarbonylContact O-C 3.59Å; R91-V118 VanDerWaalsContact O-CA 3.28Å; R91-V118 WeakPolarHBondContact O-CA 3.48Å; C92-V118 HydrophobicContact CB-CG1 4.45Å; H116-V118 PolarHBondContact O-N 3.08Å
119	T	81.4	Confident	57.7	Low	51 Å²	51	106.3 Å²	106.3	31%	0.313	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	126.4	168.1	-59.4	0	0	0	0	108.1	V90 R91 Q93	V90-T119 CarbonylContact C-O 3.59Å; V90-T119 VanDerWaalsContact CA-O 3.23Å; V90-T119 WeakPolarHBondContact CA-O 3.17Å; R91-T119 PolarHBondContact N-O 3.45Å; R91-T119 PolarHBondContact O-N 3.42Å; Q93-T119 PolarHBondContact NE2-OG1 3.46Å
120	V	78.9	Confident	56.5	Low	90 Å²	90	109.5 Å²	109.5	55%	0.545	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	131.2	179.4	-176.7	0	0	0	0	108.9	V90 N122	V90-V120 HydrophobicContact CG1-CG2 4.14Å; V120-N122 PolarHBondContact O-N 3.23Å
121	Y	78.6	Confident	55.5	Low	30 Å²	30	117.3 Å²	117.3	12%	0.118	64%	0.637	C	S	.	*	P	Polyproline II helix	trans	-76.1	118	166.2	-67.2	-69.8	0	0	0	107.6	V68 P69 A88 I89 R91 N98 V123	V68-Y121 HydrophobicContact CG1-CD2 4.2Å; V68-Y121 HydrophobicContact CG1-CG 4.08Å; V68-Y121 HydrophobicContact CG2-CD1 4.36Å; V68-Y121 HydrophobicContact CG2-CG 4.37Å; P69-Y121 HydrophobicContact CG-CE2 4.28Å; P69-Y121 WeakPolarHBondContact CG-OH 3.49Å; A88-Y121 HydrophobicContact CB-CD2 4.14Å; A88-Y121 HydrophobicContact CB-CE2 3.94Å; I89-Y121 PolarHBondContact O-N 3.43Å; R91-Y121 HydrophobicContact CB-CE2 3.96Å; N98-Y121 PolarHBondContact OD1-OH 2.93Å; Y121-V123 WeakPolarHBondContact O-CG2 3.33Å; Y121-V123 PolarHBondContact O-N 3.32Å
122	N	61.6	Low	54.8	Low	144 Å²	144	117.1 Å²	117.1	77%	0.77	63%	0.627	S	S	*	*			trans	-72.8	95.9	179.1	-86	-21.9	0	0	0	110	V120 S124	V120-N122 PolarHBondContact O-N 3.23Å; N122-S124 PolarHBondContact O-N 3.14Å
123	V	53.5	Low	54.3	Low	80 Å²	80	118.2 Å²	118.2	49%	0.485	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-79.4	-8.1	178.3	-162.4	0	0	0	0	112	Y121 N125	Y121-V123 WeakPolarHBondContact O-CG2 3.33Å; Y121-V123 PolarHBondContact O-N 3.32Å; V123-N125 PolarHBondContact O-N 3.1Å
124	S	42	Very low	53.5	Low	111 Å²	111	121.6 Å²	121.6	78%	0.776	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-80.8	-0.4	-166.9	-50.2	0	0	0	0	116.6	N122	N122-S124 PolarHBondContact O-N 3.14Å
125	N	37.8	Very low	53	Low	125 Å²	125	115.4 Å²	115.4	67%	0.668	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-109.8	8.5	175.7	-85.7	0.5	0	0	0	114.4	V123 Q127 S129	V123-N125 PolarHBondContact O-N 3.1Å; N125-Q127 PolarHBondContact O-N 3.35Å; N125-S129 PolarHBondContact O-OG 3.49Å
126	L	41.3	Very low	53.2	Low	118 Å²	118	108.3 Å²	108.3	62%	0.618	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	5.2	179.4	-106.2	110	0	0	0	115.1
127	Q	37	Very low	52.8	Low	198 Å²	198	110.5 Å²	110.5	93%	0.925	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.8	5.7	-175.2	-134.5	128.8	14	0	0	115.1	N125	N125-Q127 PolarHBondContact O-N 3.35Å
128	G	30.4	Very low	52.7	Low	72 Å²	72	110.8 Å²	110.8	74%	0.742	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.8	4.6	-175.4	0	0	0	0	0	117.2
129	S	31.3	Very low	52.5	Low	82 Å²	82	111.1 Å²	111.1	57%	0.573	61%	0.612	S	S	*	*	S	Bend	trans	-134.6	33.2	178.3	59.9	0	0	0	0	112.9	N125	N125-S129 PolarHBondContact O-OG 3.49Å
130	L	37	Very low	52.5	Low	141 Å²	141	112.2 Å²	112.2	74%	0.738	61%	0.613	S	S	*	*			trans	-112.6	30.7	172.8	-75.8	169.2	0	0	0	111.5
131	E	34.2	Very low	52.8	Low	197 Å²	197	112.3 Å²	112.3	92%	0.921	60%	0.603	S	S	*	*	S	Bend	trans	-121.4	6.3	179.2	-74.9	-167.8	159	0	0	114.7
132	A	35.7	Very low	53.1	Low	85 Å²	85	115 Å²	115	70%	0.702	62%	0.615	S	S	*	*	S	Bend	trans	-143.9	114	167.4	0	0	0	0	0	109.6
133	E	41.5	Very low	54.3	Low	195 Å²	195	114 Å²	114	91%	0.911	60%	0.604	S	S	*	*	S	Bend	trans	88.7	109.5	173.9	-53.4	-175	168	0	0	115.9
134	E	40.3	Very low	55.9	Low	180 Å²	180	115 Å²	115	84%	0.841	61%	0.605	S	S	*	*			trans	81.2	75.2	178.6	-57.5	-165.9	162.8	0	0	118.3	D136	E134-D136 PolarHBondContact O-N 3.37Å
135	M	48.8	Very low	58.1	Low	88 Å²	88	109.9 Å²	109.9	43%	0.433	57%	0.569	S	S	.	*			trans	-50.2	127.4	159.1	-173.4	160.6	65.9	0	0	110.6	T139 K140 K143	M135-T139 HydrophobicContact CG-CG2 3.83Å; M135-T139 HydrophobicContact SD-CG2 4.23Å; M135-K140 HydrophobicContact CB-CG 4.15Å; M135-K140 HydrophobicContact CE-CB 4.27Å; M135-K140 HydrophobicContact CE-CG 3.58Å; M135-K140 HydrophobicContact CG-CG 3.98Å; M135-K140 WeakPolarHBondContact O-CE 3.45Å; M135-K143 HydrophobicContact CE-CD 4.04Å; M135-K143 HydrophobicContact SD-CD 4.25Å
136	D	68.1	Low	60.5	Low	92 Å²	92	109.4 Å²	109.4	49%	0.492	56%	0.563	S	S	.	*			trans	-49.9	136.6	176.3	160	58.1	0	0	0	112	E134 E138 T139 K140	E134-D136 PolarHBondContact O-N 3.37Å; D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 3.03Å; D136-E138 WeakPolarHBondContact OD2-CB 3.28Å; D136-T139 CarbonylContact O-C 3.52Å; D136-T139 WeakPolarHBondContact O-CA 3.45Å; D136-T139 VanDerWaalsContact O-CB 3.23Å; D136-T139 WeakPolarHBondContact O-CB 3.46Å; D136-T139 PolarHBondContact O-N 2.84Å; D136-T139 PolarHBondContact OD2-N 2.9Å; D136-T139 VanDerWaalsContact OD2-N 3.12Å; D136-T139 PolarHBondContact OD2-OG1 2.92Å; D136-K140 PolarHBondContact O-N 3.4Å
137	E	71	Confident	62.7	Low	103 Å²	103	112.1 Å²	112.1	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-59.6	-34.7	-173.8	-82.7	-62.1	135.9	0	0	112.5	K140 R141	E137-K140 PolarHBondContact O-N 2.86Å; E137-K140 WeakPolarHBondContact OE1-CD 3.39Å; E137-K140 IonicContact OE1-NZ 2.66Å; E137-K140 PolarHBondContact OE1-NZ 3.24Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.36Å; E137-R141 PolarHBondContact O-N 3.02Å
138	E	75.3	Confident	65.4	Low	88 Å²	88	103.3 Å²	103.3	41%	0.411	53%	0.529	S	S	.	.	H	α-helix	trans	-67.9	-39.2	173.4	-170.4	-178	148.3	0	0	111.1	D136 R141 K142 Y203	D136-E138 VanDerWaalsContact C-N 3.26Å; D136-E138 PolarHBondContact O-N 3.03Å; D136-E138 WeakPolarHBondContact OD2-CB 3.28Å; E138-R141 PolarHBondContact O-N 3.19Å; E138-K142 HydrophobicContact CG-CD 4.39Å; E138-K142 WeakPolarHBondContact O-CB 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.09Å; E138-K142 VanDerWaalsContact OE1-CE 3.27Å; E138-K142 WeakPolarHBondContact OE1-CE 3.45Å; E138-K142 IonicContact OE1-NZ 2.78Å; E138-K142 PolarHBondContact OE1-NZ 3.19Å; E138-Y203 HydrophobicContact CG-CD1 4.37Å; E138-Y203 HydrophobicContact CG-CE1 4.33Å
139	T	77.7	Confident	68.4	Low	64 Å²	64	104.1 Å²	104.1	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-39.3	174	-53.6	0	0	0	0	111.8	M135 D136 K142 K143	M135-T139 HydrophobicContact CG-CG2 3.83Å; M135-T139 HydrophobicContact SD-CG2 4.23Å; D136-T139 CarbonylContact O-C 3.52Å; D136-T139 WeakPolarHBondContact O-CA 3.45Å; D136-T139 VanDerWaalsContact O-CB 3.23Å; D136-T139 WeakPolarHBondContact O-CB 3.46Å; D136-T139 PolarHBondContact O-N 2.84Å; D136-T139 PolarHBondContact OD2-N 2.9Å; D136-T139 VanDerWaalsContact OD2-N 3.12Å; D136-T139 PolarHBondContact OD2-OG1 2.92Å; T139-K142 PolarHBondContact O-N 3.16Å; T139-K143 WeakPolarHBondContact O-CB 3.39Å; T139-K143 PolarHBondContact O-N 2.97Å
140	K	81.2	Confident	71.5	Confident	74 Å²	74	101.3 Å²	101.3	32%	0.322	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-48.2	171.7	-64.7	-175.1	-174.7	161	0	111.6	M135 D136 E137 K143 M144	M135-K140 HydrophobicContact CB-CG 4.15Å; M135-K140 HydrophobicContact CE-CB 4.27Å; M135-K140 HydrophobicContact CE-CG 3.58Å; M135-K140 HydrophobicContact CG-CG 3.98Å; M135-K140 WeakPolarHBondContact O-CE 3.45Å; D136-K140 PolarHBondContact O-N 3.4Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-K140 WeakPolarHBondContact OE1-CD 3.39Å; E137-K140 IonicContact OE1-NZ 2.66Å; E137-K140 PolarHBondContact OE1-NZ 3.24Å; K140-K143 PolarHBondContact O-N 3.04Å; K140-M144 WeakPolarHBondContact O-CG 3.34Å; K140-M144 PolarHBondContact O-N 3.15Å
141	R	84.4	Confident	74.4	Confident	91 Å²	91	95.6 Å²	95.6	34%	0.343	47%	0.469	S	S	.	.	H	α-helix	trans	-64.2	-41.2	179.7	-67.7	170.1	-177.8	-154.2	-1.2	112	E137 E138 M144 T145 Y203 V228	E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.36Å; E137-R141 PolarHBondContact O-N 3.02Å; E138-R141 PolarHBondContact O-N 3.19Å; R141-M144 PolarHBondContact O-N 3.05Å; R141-T145 PolarHBondContact O-N 2.88Å; R141-T145 PolarHBondContact O-OG1 3.07Å; R141-Y203 HydrophobicContact CB-CE1 4.27Å; R141-Y203 HydrophobicContact CB-CE2 3.86Å; R141-Y203 WeakPolarHBondContact CB-OH 3.37Å; R141-Y203 VanDerWaalsContact CD-OH 3.27Å; R141-Y203 WeakPolarHBondContact CD-OH 3.39Å; R141-V228 HydrophobicContact CB-CG2 4.03Å; R141-V228 HydrophobicContact CG-CG1 4.04Å; R141-V228 HydrophobicContact CG-CG2 4.25Å
142	K	85	Confident	77.2	Confident	86 Å²	86	88.7 Å²	88.7	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-56.8	-50.5	172.1	-80.9	171.6	172.5	161.4	0	110.7	E138 T139 M144 T145 E146 Y203	E138-K142 HydrophobicContact CG-CD 4.39Å; E138-K142 WeakPolarHBondContact O-CB 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.44Å; E138-K142 PolarHBondContact O-N 3.09Å; E138-K142 VanDerWaalsContact OE1-CE 3.27Å; E138-K142 WeakPolarHBondContact OE1-CE 3.45Å; E138-K142 IonicContact OE1-NZ 2.78Å; E138-K142 PolarHBondContact OE1-NZ 3.19Å; T139-K142 PolarHBondContact O-N 3.16Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 3.46Å; K142-T145 PolarHBondContact O-N 3.12Å; K142-T145 PolarHBondContact O-OG1 2.93Å; K142-E146 PolarHBondContact O-N 2.97Å; K142-Y203 HydrophobicContact CG-CD1 4.15Å; K142-Y203 HydrophobicContact CG-CD2 4.22Å; K142-Y203 HydrophobicContact CG-CG 3.78Å
143	K	86.3	Confident	80	Confident	124 Å²	124	84.8 Å²	84.8	54%	0.539	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-38.8	178.1	-166.1	175	-174.9	174	0	113.3	M135 T139 K140 T145 E146	M135-K143 HydrophobicContact CE-CD 4.04Å; M135-K143 HydrophobicContact SD-CD 4.25Å; T139-K143 WeakPolarHBondContact O-CB 3.39Å; T139-K143 PolarHBondContact O-N 2.97Å; K140-K143 PolarHBondContact O-N 3.04Å; K143-T145 PolarHBondContact O-N 3.12Å; K143-E146 PolarHBondContact O-N 2.89Å
144	M	86.7	Confident	82.3	Confident	101 Å²	101	75.7 Å²	75.7	50%	0.498	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-32.6	175.2	-70.5	176.5	65	0	0	112.7	K140 R141 K142 P227 V228	K140-M144 WeakPolarHBondContact O-CG 3.34Å; K140-M144 PolarHBondContact O-N 3.15Å; R141-M144 PolarHBondContact O-N 3.05Å; K142-M144 VanDerWaalsContact C-N 3.31Å; K142-M144 PolarHBondContact O-N 3.46Å; M144-P227 HydrophobicContact CB-CG 4.16Å; M144-P227 HydrophobicContact CE-CB 4.05Å; M144-P227 WeakPolarHBondContact CE-O 3.38Å; M144-P227 WeakPolarHBondContact O-CG 3.43Å; M144-V228 HydrophobicContact CB-CG2 4.41Å
145	T	89.5	Confident	84.6	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-90.8	-4.2	-177.3	61.6	0	0	0	0	113.8	R141 K142 K143 K147 V148 F202 Y203 R205 P227 V228	R141-T145 PolarHBondContact O-N 2.88Å; R141-T145 PolarHBondContact O-OG1 3.07Å; K142-T145 PolarHBondContact O-N 3.12Å; K142-T145 PolarHBondContact O-OG1 2.93Å; K143-T145 PolarHBondContact O-N 3.12Å; T145-K147 VanDerWaalsContact C-N 3.31Å; T145-K147 PolarHBondContact O-N 2.84Å; T145-V148 PolarHBondContact O-N 2.76Å; T145-F202 HydrophobicContact CG2-CD1 4.27Å; T145-Y203 HydrophobicContact CG2-CD2 4.17Å; T145-Y203 HydrophobicContact CG2-CE2 4.06Å; T145-R205 PolarHBondContact O-NH1 3.2Å; T145-P227 HydrophobicContact CG2-CG 4.42Å; T145-V228 HydrophobicContact CG2-CG2 3.96Å
146	E	88	Confident	86	Confident	115 Å²	115	70 Å²	70	54%	0.537	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33	-175.5	-80.7	172.5	-171.7	0	0	114.5	K142 K143 R205	K142-E146 PolarHBondContact O-N 2.97Å; K143-E146 PolarHBondContact O-N 2.89Å; E146-R205 PolarHBondContact O-NE 3.46Å; E146-R205 PolarHBondContact O-NH1 3.27Å; E146-R205 PolarHBondContact O-NH2 3.16Å
147	K	88.1	Confident	86.6	Confident	176 Å²	176	70.5 Å²	70.5	77%	0.765	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.1	-175.9	-64.7	-175.5	179.7	-178.7	0	114	T145 V149	T145-K147 VanDerWaalsContact C-N 3.31Å; T145-K147 PolarHBondContact O-N 2.84Å; K147-V149 PolarHBondContact O-N 3.49Å
148	V	93.6	Very high	87	Confident	13 Å²	13	66 Å²	66	8%	0.079	32%	0.319	C	S	.	.			trans	-63.4	134.4	-175.3	177	0	0	0	0	110.1	T145 F202 R205 V207 A224 Y225 P227	T145-V148 PolarHBondContact O-N 2.76Å; V148-F202 HydrophobicContact CB-CE1 4.38Å; V148-F202 HydrophobicContact CG1-CD1 4.23Å; V148-F202 HydrophobicContact CG1-CE1 3.69Å; V148-F202 HydrophobicContact CG1-CZ 4.15Å; V148-R205 PolarHBondContact O-NH1 3.01Å; V148-R205 PolarHBondContact O-NH2 3.46Å; V148-V207 HydrophobicContact CB-CG2 4.49Å; V148-V207 HydrophobicContact CG1-CG1 3.94Å; V148-V207 HydrophobicContact CG1-CG2 4.38Å; V148-A224 HydrophobicContact CG1-CB 4.21Å; V148-Y225 WeakPolarHBondContact CG1-O 3.31Å; V148-Y225 WeakPolarHBondContact CG2-O 3.43Å; V148-P227 HydrophobicContact CG2-CG 4.23Å
149	V	93.8	Very high	87.4	Confident	88 Å²	88	66.9 Å²	66.9	53%	0.533	32%	0.323	S	S	.	.			trans	-128.3	151.8	173.2	-67.6	0	0	0	0	109.7	K147	K147-V149 PolarHBondContact O-N 3.49Å
150	S	96.4	Very high	88	Confident	24 Å²	24	65.3 Å²	65.3	17%	0.168	31%	0.313	C	S	.	.			trans	-89.9	155	170.7	62.4	0	0	0	0	110.8	V207 A223	S150-V207 VanDerWaalsContact CB-O 3.31Å; S150-V207 WeakPolarHBondContact CB-O 3.34Å; S150-V207 PolarHBondContact OG-O 2.81Å; S150-A223 CarbonylContact C-O 3.56Å; S150-A223 VanDerWaalsContact CA-O 3.24Å; S150-A223 WeakPolarHBondContact CA-O 2.99Å
151	F	96.1	Very high	88.6	Confident	21 Å²	21	65.1 Å²	65.1	9%	0.092	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.2	172.1	71.2	-84.5	0	0	0	110.7	L153 V162 F168 K171 L172 W222 A223	F151-L153 HydrophobicContact CE2-CB 4.19Å; F151-L153 HydrophobicContact CE2-CD1 3.9Å; F151-L153 HydrophobicContact CZ-CD1 4.27Å; F151-L153 PolarHBondContact O-N 2.78Å; F151-V162 HydrophobicContact CE2-CG2 3.84Å; F151-F168 HydrophobicContact CZ-CD2 4.3Å; F151-F168 HydrophobicContact CZ-CE2 4.19Å; F151-K171 HydrophobicContact CD1-CB 3.95Å; F151-K171 WeakPolarHBondContact CD1-O 3.17Å; F151-K171 HydrophobicContact CD2-CB 3.86Å; F151-K171 HydrophobicContact CD2-CD 3.89Å; F151-K171 HydrophobicContact CD2-CG 4.45Å; F151-K171 HydrophobicContact CE1-CB 4.03Å; F151-K171 HydrophobicContact CE2-CB 3.94Å; F151-K171 HydrophobicContact CE2-CD 4.23Å; F151-K171 HydrophobicContact CG-CB 3.86Å; F151-K171 HydrophobicContact CG-CD 4.46Å; F151-K171 HydrophobicContact CZ-CB 4.02Å; F151-L172 HydrophobicContact CE1-CB 4.06Å; F151-L172 HydrophobicContact CE1-CD1 4.01Å; F151-W222 CarbonylContact O-C 3.52Å; F151-W222 VanDerWaalsContact O-CA 3.31Å; F151-W222 WeakPolarHBondContact O-CA 3.05Å; F151-A223 HydrophobicContact CD1-CB 4.4Å; F151-A223 VanDerWaalsContact CD1-O 3.29Å; F151-A223 WeakPolarHBondContact CD1-O 3.41Å; F151-A223 HydrophobicContact CE1-CB 3.76Å; F151-A223 HydrophobicContact CE2-CB 4.46Å; F151-A223 HydrophobicContact CZ-CB 3.8Å; F151-A223 PolarHBondContact N-O 3.38Å; F151-A223 PolarHBondContact O-N 3.27Å
152	L	94.5	Very high	89	Confident	51 Å²	51	61.1 Å²	61.1	27%	0.267	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	117.7	174.8	-175.1	68.5	0	0	0	108.9	V154 D155 Q161 W222	L152-V154 VanDerWaalsContact CD1-O 3.28Å; L152-V154 WeakPolarHBondContact CD1-O 3.41Å; L152-D155 HydrophobicContact CD2-CB 4.07Å; L152-Q161 HydrophobicContact CD2-CG 4.02Å; L152-Q161 HydrophobicContact CG-CG 4.04Å; L152-Q161 WeakPolarHBondContact O-CB 3.5Å; L152-W222 HydrophobicContact CB-CD2 4.36Å; L152-W222 HydrophobicContact CB-CE3 4.4Å; L152-W222 HydrophobicContact CB-CH2 4.06Å; L152-W222 HydrophobicContact CB-CZ2 4.03Å; L152-W222 HydrophobicContact CB-CZ3 4.25Å; L152-W222 HydrophobicContact CD1-CD2 4.23Å; L152-W222 HydrophobicContact CD1-CG 4.45Å; L152-W222 HydrophobicContact CD1-CZ2 3.9Å; L152-W222 HydrophobicContact CG-CZ2 4.48Å
153	L	93.9	Very high	89.2	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-44.3	-179.8	179.4	62.2	0	0	0	111.4	F151 V160 Q161 V162 F168 V221 A223 L400	F151-L153 HydrophobicContact CE2-CB 4.19Å; F151-L153 HydrophobicContact CE2-CD1 3.9Å; F151-L153 HydrophobicContact CZ-CD1 4.27Å; F151-L153 PolarHBondContact O-N 2.78Å; L153-V160 WeakPolarHBondContact O-CA 3.43Å; L153-Q161 PolarHBondContact O-N 3.31Å; L153-V162 HydrophobicContact CD1-CG2 3.87Å; L153-F168 HydrophobicContact CD1-CD2 4.13Å; L153-F168 HydrophobicContact CD1-CE2 3.82Å; L153-V221 WeakPolarHBondContact CA-O 3.38Å; L153-V221 WeakPolarHBondContact CB-O 3.23Å; L153-V221 PolarHBondContact N-O 3.27Å; L153-A223 HydrophobicContact CB-CB 4.22Å; L153-A223 HydrophobicContact CD2-CB 4.12Å; L153-L400 HydrophobicContact CD1-CD2 3.69Å; L153-L400 HydrophobicContact CD2-CD2 3.85Å; L153-L400 HydrophobicContact CG-CD2 3.9Å
154	V	90.1	Very high	89.6	Confident	4 Å²	4	59 Å²	59	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.1	176.5	-171.6	0	0	0	0	108.1	L152 E158 E159 V160 G220 V221 L252	L152-V154 VanDerWaalsContact CD1-O 3.28Å; L152-V154 WeakPolarHBondContact CD1-O 3.41Å; V154-E158 VanDerWaalsContact CG1-C 3.44Å; V154-E159 WeakPolarHBondContact CA-O 3.47Å; V154-V160 HydrophobicContact CG2-CG2 4.39Å; V154-G220 CarbonylContact O-C 3.56Å; V154-G220 WeakPolarHBondContact O-CA 3.45Å; V154-V221 HydrophobicContact CB-CB 3.98Å; V154-V221 HydrophobicContact CB-CG2 4.35Å; V154-V221 HydrophobicContact CG2-CB 4.22Å; V154-V221 PolarHBondContact N-O 2.89Å; V154-V221 VanDerWaalsContact N-O 3.08Å; V154-V221 PolarHBondContact O-N 2.78Å; V154-L252 HydrophobicContact CB-CD1 4.42Å; V154-L252 HydrophobicContact CG1-CD1 4.06Å
155	D	87.4	Confident	89.9	Confident	29 Å²	29	57.4 Å²	57.4	16%	0.155	29%	0.292	C	S	.	.			trans	-83.3	-177.8	179.1	70.9	10.1	0	0	0	113.1	L152 N157 E158 E159 Q161	L152-D155 HydrophobicContact CD2-CB 4.07Å; D155-N157 PolarHBondContact O-N 3.25Å; D155-N157 VanDerWaalsContact OD1-CA 3.32Å; D155-N157 WeakPolarHBondContact OD1-CA 3.45Å; D155-N157 WeakPolarHBondContact OD1-CB 3.15Å; D155-N157 PolarHBondContact OD1-N 2.86Å; D155-E158 PolarHBondContact O-N 3.49Å; D155-E158 VanDerWaalsContact O-N 3.13Å; D155-E158 PolarHBondContact OD1-N 3.04Å; D155-E158 VanDerWaalsContact OD1-N 3.14Å; D155-E159 PolarHBondContact N-O 3.47Å; D155-E159 VanDerWaalsContact N-O 3.08Å; D155-E159 PolarHBondContact OD1-N 3.33Å; D155-Q161 HydrophobicContact CB-CG 4.25Å; D155-Q161 PolarHBondContact OD2-NE2 3.32Å
156	E	79.4	Confident	90.2	Very high	118 Å²	118	64.4 Å²	64.4	55%	0.551	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	175.9	64.6	-166.7	-157.3	0	0	114.3	V219 Q248	E156-V219 HydrophobicContact CB-CG1 3.71Å; E156-Q248 PolarHBondContact O-NE2 3.18Å
157	N	80.2	Confident	90.5	Very high	104 Å²	104	59.4 Å²	59.4	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	6.3	177.2	-59	-56.9	0	0	0	112.2	D155 E159	D155-N157 PolarHBondContact O-N 3.25Å; D155-N157 VanDerWaalsContact OD1-CA 3.32Å; D155-N157 WeakPolarHBondContact OD1-CA 3.45Å; D155-N157 WeakPolarHBondContact OD1-CB 3.15Å; D155-N157 PolarHBondContact OD1-N 2.86Å; N157-E159 VanDerWaalsContact C-N 3.26Å; N157-E159 HydrophobicContact CB-CG 4.4Å; N157-E159 PolarHBondContact O-N 3.42Å
158	E	79.2	Confident	90.9	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	68.4	16.7	-175	-47.8	-176.6	145.2	0	0	115.5	V154 D155 Q248 R251 K255	V154-E158 VanDerWaalsContact CG1-C 3.44Å; D155-E158 PolarHBondContact O-N 3.49Å; D155-E158 VanDerWaalsContact O-N 3.13Å; D155-E158 PolarHBondContact OD1-N 3.04Å; D155-E158 VanDerWaalsContact OD1-N 3.14Å; E158-Q248 HydrophobicContact CG-CG 3.62Å; E158-Q248 WeakPolarHBondContact OE1-CA 3.13Å; E158-Q248 WeakPolarHBondContact OE1-CG 3.04Å; E158-R251 VanDerWaalsContact CD-NH2 3.28Å; E158-R251 IonicContact OE1-CZ 2.93Å; E158-R251 IonicContact OE1-NE 2.77Å; E158-R251 PolarHBondContact OE1-NE 3.49Å; E158-R251 IonicContact OE1-NH2 3.21Å; E158-R251 PolarHBondContact OE1-NH2 3.32Å; E158-R251 IonicContact OE2-CZ 3.86Å; E158-R251 IonicContact OE2-NE 2.69Å; E158-R251 PolarHBondContact OE2-NE 3.25Å; E158-R251 IonicContact OE2-NH2 3.03Å; E158-R251 PolarHBondContact OE2-NH2 2.76Å; E158-K255 PolarHBondContact O-NZ 2.84Å
159	E	84.6	Confident	91	Very high	106 Å²	106	51.4 Å²	51.4	50%	0.495	27%	0.266	S	S	.	.			trans	-88.4	131	-179.6	-68.2	-60.4	144	0	0	110.8	V154 D155 N157 Q161	V154-E159 WeakPolarHBondContact CA-O 3.47Å; D155-E159 PolarHBondContact N-O 3.47Å; D155-E159 VanDerWaalsContact N-O 3.08Å; D155-E159 PolarHBondContact OD1-N 3.33Å; N157-E159 VanDerWaalsContact C-N 3.26Å; N157-E159 HydrophobicContact CB-CG 4.4Å; N157-E159 PolarHBondContact O-N 3.42Å; E159-Q161 PolarHBondContact O-N 3.19Å; E159-Q161 PolarHBondContact O-NE2 2.81Å
160	V	89.9	Confident	91.1	Very high	31 Å²	31	55.4 Å²	55.4	19%	0.188	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-73	120.4	178.2	177.1	0	0	0	0	109.1	L153 V154 V162 L400 S404	L153-V160 WeakPolarHBondContact O-CA 3.43Å; V154-V160 HydrophobicContact CG2-CG2 4.39Å; V160-V162 HydrophobicContact CG1-CB 4.15Å; V160-V162 PolarHBondContact O-N 3.34Å; V160-V162 VanDerWaalsContact O-N 3.11Å; V160-L400 HydrophobicContact CG1-CD2 4.37Å; V160-L400 HydrophobicContact CG2-CG 4.36Å; V160-S404 WeakPolarHBondContact CG2-OG 3.23Å
161	Q	93.9	Very high	91	Very high	70 Å²	70	57.7 Å²	57.7	33%	0.327	28%	0.279	S	S	.	.	S	Bend	trans	-83.1	14.9	-173.9	-58.7	-58.5	-58.8	0	0	113.5	L152 L153 D155 E159 K171	L152-Q161 HydrophobicContact CD2-CG 4.02Å; L152-Q161 HydrophobicContact CG-CG 4.04Å; L152-Q161 WeakPolarHBondContact O-CB 3.5Å; L153-Q161 PolarHBondContact O-N 3.31Å; D155-Q161 HydrophobicContact CB-CG 4.25Å; D155-Q161 PolarHBondContact OD2-NE2 3.32Å; E159-Q161 PolarHBondContact O-N 3.19Å; E159-Q161 PolarHBondContact O-NE2 2.81Å; Q161-K171 PolarHBondContact O-NZ 3.43Å
162	V	92.7	Very high	91	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.042	28%	0.275	C	S	.	.			trans	-126.9	124.7	-174.2	-174.3	0	0	0	0	108.8	F151 L153 V160 D167 F168 K171 F397	F151-V162 HydrophobicContact CE2-CG2 3.84Å; L153-V162 HydrophobicContact CD1-CG2 3.87Å; V160-V162 HydrophobicContact CG1-CB 4.15Å; V160-V162 PolarHBondContact O-N 3.34Å; V160-V162 VanDerWaalsContact O-N 3.11Å; V162-D167 HydrophobicContact CG1-CB 3.97Å; V162-F168 VanDerWaalsContact CG1-CA 3.42Å; V162-F168 HydrophobicContact CG1-CB 3.6Å; V162-F168 HydrophobicContact CG1-CD2 4.28Å; V162-F168 HydrophobicContact CG1-CG 4.45Å; V162-F168 HydrophobicContact CG2-CD2 4.4Å; V162-K171 HydrophobicContact CG2-CD 4.2Å; V162-F397 HydrophobicContact CB-CE2 4.17Å; V162-F397 HydrophobicContact CG1-CD2 4.25Å; V162-F397 HydrophobicContact CG1-CE2 3.88Å
163	T	89.4	Confident	91	Very high	93 Å²	93	59.6 Å²	59.6	57%	0.571	29%	0.29	S	S	*	.			trans	-84.7	-40.1	-166.3	53.1	0	0	0	0	113	D167 K401	T163-D167 PolarHBondContact N-OD2 2.89Å; T163-D167 VanDerWaalsContact N-OD2 3.12Å; T163-D167 PolarHBondContact OG1-OD2 2.81Å; T163-K401 PolarHBondContact O-NZ 3.2Å; T163-K401 VanDerWaalsContact O-NZ 3.17Å
164	N	93.5	Very high	90.9	Very high	71 Å²	71	60.2 Å²	60.2	38%	0.38	29%	0.294	S	S	.	.	S	Bend	trans	-148.2	174.8	-176.3	62.7	47.9	0	0	0	111.9	E166 D167 F168 F397	N164-E166 VanDerWaalsContact C-N 3.33Å; N164-E166 PolarHBondContact O-N 2.81Å; N164-E166 PolarHBondContact OD1-N 3.33Å; N164-E166 VanDerWaalsContact OD1-N 3.16Å; N164-D167 PolarHBondContact O-N 2.87Å; N164-D167 WeakPolarHBondContact OD1-CB 3.31Å; N164-D167 PolarHBondContact OD1-N 3.01Å; N164-F168 PolarHBondContact O-N 3.44Å; N164-F397 VanDerWaalsContact C-CE1 3.45Å; N164-F397 VanDerWaalsContact C-CZ 3.41Å; N164-F397 VanDerWaalsContact CA-CZ 3.44Å
165	E	93.8	Very high	91	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-59.3	-40.4	-178.1	173.4	169.4	170.8	0	0	112.6	F168 I169 G394 F397 K398	E165-F168 WeakPolarHBondContact O-CB 3.17Å; E165-F168 PolarHBondContact O-N 3.13Å; E165-I169 HydrophobicContact CG-CD1 3.85Å; E165-I169 WeakPolarHBondContact O-CD1 3.3Å; E165-I169 VanDerWaalsContact O-CG1 3.32Å; E165-I169 WeakPolarHBondContact O-CG1 3.39Å; E165-I169 PolarHBondContact O-N 3.39Å; E165-G394 VanDerWaalsContact CD-CA 3.4Å; E165-G394 VanDerWaalsContact OE1-CA 3.28Å; E165-G394 WeakPolarHBondContact OE1-CA 3.42Å; E165-F397 HydrophobicContact CB-CD1 3.94Å; E165-F397 HydrophobicContact CB-CE1 4.37Å; E165-F397 VanDerWaalsContact N-CE1 3.34Å; E165-K398 WeakPolarHBondContact OE2-CE 3.43Å; E165-K398 IonicContact OE2-NZ 3.84Å; E165-K398 PolarHBondContact OE2-NZ 3.33Å; E165-K398 VanDerWaalsContact OE2-NZ 3.16Å
166	E	94.9	Very high	91.1	Very high	151 Å²	151	69.2 Å²	69.2	71%	0.706	34%	0.341	S	S	*	.	H	α-helix	trans	-67.2	-41.1	179.6	-61.5	177	177.8	0	0	111.9	N164 F168 I169 R170	N164-E166 VanDerWaalsContact C-N 3.33Å; N164-E166 PolarHBondContact O-N 2.81Å; N164-E166 PolarHBondContact OD1-N 3.33Å; N164-E166 VanDerWaalsContact OD1-N 3.16Å; E166-F168 VanDerWaalsContact C-N 3.33Å; E166-I169 PolarHBondContact O-N 2.84Å; E166-R170 VanDerWaalsContact O-CB 3.23Å; E166-R170 WeakPolarHBondContact O-CB 3.22Å; E166-R170 PolarHBondContact O-N 2.89Å
167	D	95.8	Very high	91.5	Very high	9 Å²	9	68.5 Å²	68.5	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-39	175	-175.3	35.6	0	0	0	111.2	V162 T163 N164 R170 K171	V162-D167 HydrophobicContact CG1-CB 3.97Å; T163-D167 PolarHBondContact N-OD2 2.89Å; T163-D167 VanDerWaalsContact N-OD2 3.12Å; T163-D167 PolarHBondContact OG1-OD2 2.81Å; N164-D167 PolarHBondContact O-N 2.87Å; N164-D167 WeakPolarHBondContact OD1-CB 3.31Å; N164-D167 PolarHBondContact OD1-N 3.01Å; D167-R170 IonicContact OD1-CZ 3.99Å; D167-R170 IonicContact OD1-NE 2.84Å; D167-R170 IonicContact OD1-NH2 2.68Å; D167-R170 PolarHBondContact OD1-NH2 2.8Å; D167-K171 WeakPolarHBondContact O-CB 3.37Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 3Å; D167-K171 WeakPolarHBondContact OD1-CE 3.42Å; D167-K171 IonicContact OD2-NZ 2.74Å
168	F	95.7	Very high	92.1	Very high	5 Å²	5	65.1 Å²	65.1	2%	0.022	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-51.9	175.1	-175.4	-111.6	0	0	0	111.7	F151 L153 V162 N164 E165 E166 R170 K171 L172 P393 I396 F397	F151-F168 HydrophobicContact CZ-CD2 4.3Å; F151-F168 HydrophobicContact CZ-CE2 4.19Å; L153-F168 HydrophobicContact CD1-CD2 4.13Å; L153-F168 HydrophobicContact CD1-CE2 3.82Å; V162-F168 VanDerWaalsContact CG1-CA 3.42Å; V162-F168 HydrophobicContact CG1-CB 3.6Å; V162-F168 HydrophobicContact CG1-CD2 4.28Å; V162-F168 HydrophobicContact CG1-CG 4.45Å; V162-F168 HydrophobicContact CG2-CD2 4.4Å; N164-F168 PolarHBondContact O-N 3.44Å; E165-F168 WeakPolarHBondContact O-CB 3.17Å; E165-F168 PolarHBondContact O-N 3.13Å; E166-F168 VanDerWaalsContact C-N 3.33Å; F168-R170 VanDerWaalsContact C-N 3.3Å; F168-R170 PolarHBondContact O-N 2.76Å; F168-K171 PolarHBondContact O-N 2.97Å; F168-L172 HydrophobicContact CE1-CD2 3.94Å; F168-L172 HydrophobicContact CZ-CD2 4.04Å; F168-L172 WeakPolarHBondContact O-CB 2.85Å; F168-L172 PolarHBondContact O-N 3.3Å; F168-P393 HydrophobicContact CD1-CB 4.12Å; F168-P393 HydrophobicContact CE1-CB 4.01Å; F168-P393 WeakPolarHBondContact CE1-O 3.14Å; F168-I396 HydrophobicContact CE1-CB 4.41Å; F168-I396 HydrophobicContact CE1-CG2 4.41Å; F168-I396 HydrophobicContact CZ-CG2 4.23Å; F168-F397 HydrophobicContact CB-CB 4.14Å; F168-F397 HydrophobicContact CB-CD2 3.76Å; F168-F397 HydrophobicContact CB-CE2 4.49Å; F168-F397 HydrophobicContact CB-CG 4.08Å; F168-F397 HydrophobicContact CD1-CB 3.78Å; F168-F397 HydrophobicContact CD2-CD2 4.26Å; F168-F397 HydrophobicContact CE1-CB 4.34Å; F168-F397 HydrophobicContact CG-CB 3.94Å; F168-F397 AromaticContact CG-CD2 4Å; F168-F397 HydrophobicContact CG-CD2 4Å; F168-F397 HydrophobicContact CG-CG 4.3Å
169	I	95.7	Very high	92.6	Very high	17 Å²	17	68.7 Å²	68.7	9%	0.087	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-42.9	-179.5	-68.6	162.8	0	0	0	110.5	E165 E166 L172 D173 C174 P176 P393	E165-I169 HydrophobicContact CG-CD1 3.85Å; E165-I169 WeakPolarHBondContact O-CD1 3.3Å; E165-I169 VanDerWaalsContact O-CG1 3.32Å; E165-I169 WeakPolarHBondContact O-CG1 3.39Å; E165-I169 PolarHBondContact O-N 3.39Å; E166-I169 PolarHBondContact O-N 2.84Å; I169-L172 PolarHBondContact O-N 3.46Å; I169-D173 PolarHBondContact O-N 3.06Å; I169-C174 WeakPolarHBondContact CG2-O 3.5Å; I169-C174 PolarHBondContact O-N 3.47Å; I169-P176 HydrophobicContact CD1-CB 4.24Å; I169-P176 HydrophobicContact CG2-CG 4.19Å; I169-P393 HydrophobicContact CG1-CB 3.81Å; I169-P393 HydrophobicContact CG1-CG 4.17Å
170	R	95.5	Very high	93.1	Very high	171 Å²	171	63.6 Å²	63.6	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-64	-47.8	178.2	-179.3	-177.5	62.8	-149.5	0.8	112.3	E166 D167 F168 L172 D173	E166-R170 VanDerWaalsContact O-CB 3.23Å; E166-R170 WeakPolarHBondContact O-CB 3.22Å; E166-R170 PolarHBondContact O-N 2.89Å; D167-R170 IonicContact OD1-CZ 3.99Å; D167-R170 IonicContact OD1-NE 2.84Å; D167-R170 IonicContact OD1-NH2 2.68Å; D167-R170 PolarHBondContact OD1-NH2 2.8Å; F168-R170 VanDerWaalsContact C-N 3.3Å; F168-R170 PolarHBondContact O-N 2.76Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-D173 PolarHBondContact O-N 2.79Å
171	K	95.7	Very high	93.3	Very high	73 Å²	73	62.7 Å²	62.7	32%	0.317	31%	0.308	S	S	.	.	H	α-helix	trans	-68	-33.5	179.3	-76.4	-178	176.8	-176.8	0	112.4	F151 Q161 V162 D167 F168 D173	F151-K171 HydrophobicContact CD1-CB 3.95Å; F151-K171 WeakPolarHBondContact CD1-O 3.17Å; F151-K171 HydrophobicContact CD2-CB 3.86Å; F151-K171 HydrophobicContact CD2-CD 3.89Å; F151-K171 HydrophobicContact CD2-CG 4.45Å; F151-K171 HydrophobicContact CE1-CB 4.03Å; F151-K171 HydrophobicContact CE2-CB 3.94Å; F151-K171 HydrophobicContact CE2-CD 4.23Å; F151-K171 HydrophobicContact CG-CB 3.86Å; F151-K171 HydrophobicContact CG-CD 4.46Å; F151-K171 HydrophobicContact CZ-CB 4.02Å; Q161-K171 PolarHBondContact O-NZ 3.43Å; V162-K171 HydrophobicContact CG2-CD 4.2Å; D167-K171 WeakPolarHBondContact O-CB 3.37Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 3Å; D167-K171 WeakPolarHBondContact OD1-CE 3.42Å; D167-K171 IonicContact OD2-NZ 2.74Å; F168-K171 PolarHBondContact O-N 2.97Å; K171-D173 PolarHBondContact O-N 2.6Å
172	L	94.9	Very high	93.5	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-73.3	-15.7	174.3	-169.2	59.8	0	0	0	112.6	F151 F168 I169 R170 C174 L180 Y225 A232	F151-L172 HydrophobicContact CE1-CB 4.06Å; F151-L172 HydrophobicContact CE1-CD1 4.01Å; F168-L172 HydrophobicContact CE1-CD2 3.94Å; F168-L172 HydrophobicContact CZ-CD2 4.04Å; F168-L172 WeakPolarHBondContact O-CB 2.85Å; F168-L172 PolarHBondContact O-N 3.3Å; I169-L172 PolarHBondContact O-N 3.46Å; R170-L172 VanDerWaalsContact C-N 3.32Å; L172-C174 HydrophobicContact CG-CB 4.48Å; L172-C174 PolarHBondContact O-N 3.49Å; L172-L180 HydrophobicContact CD2-CD1 3.78Å; L172-Y225 WeakPolarHBondContact O-CB 2.96Å; L172-A232 HydrophobicContact CD1-CB 4.43Å; L172-A232 HydrophobicContact CD2-CB 4.28Å
173	D	94.4	Very high	93.7	Very high	108 Å²	108	59 Å²	59	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	46.8	-179.1	-164.1	33.1	0	0	0	113	I169 R170 K171 Y225	I169-D173 PolarHBondContact O-N 3.06Å; R170-D173 PolarHBondContact O-N 2.79Å; K171-D173 PolarHBondContact O-N 2.6Å; D173-Y225 WeakPolarHBondContact O-CD1 3.47Å
174	C	92.8	Very high	94.1	Very high	16 Å²	16	54.6 Å²	54.6	11%	0.108	26%	0.263	C	S	.	.			trans	-124.5	165.8	178.6	70.6	0	0	0	0	111.5	I169 L172 Y225 P393	I169-C174 WeakPolarHBondContact CG2-O 3.5Å; I169-C174 PolarHBondContact O-N 3.47Å; L172-C174 HydrophobicContact CG-CB 4.48Å; L172-C174 PolarHBondContact O-N 3.49Å; C174-Y225 HydrophobicContact CB-CD1 3.89Å; C174-Y225 HydrophobicContact CB-CD2 4.28Å; C174-Y225 HydrophobicContact CB-CE1 4Å; C174-Y225 HydrophobicContact CB-CE2 4.39Å; C174-Y225 HydrophobicContact CB-CG 4.05Å; C174-P393 VanDerWaalsContact SG-CG 3.55Å
175	K	91.9	Very high	94.2	Very high	135 Å²	135	51.2 Å²	51.2	59%	0.587	25%	0.245	S	C	*	.			trans	-79.2	145	176.7	-56.4	-178.5	177.1	179.9	0	111	D177 Q178	K175-D177 VanDerWaalsContact C-N 3.25Å; K175-D177 WeakPolarHBondContact CB-OD1 3.39Å; K175-D177 PolarHBondContact O-N 3.4Å; K175-Q178 HydrophobicContact CB-CB 4.2Å; K175-Q178 WeakPolarHBondContact O-CB 3.2Å; K175-Q178 PolarHBondContact O-N 3.3Å
176	P	89.6	Confident	94.1	Very high	87 Å²	87	48 Å²	48	57%	0.565	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.4	177.6	-22.6	31.8	0	0	0	113.9	I169 Q178 H392	I169-P176 HydrophobicContact CD1-CB 4.24Å; I169-P176 HydrophobicContact CG2-CG 4.19Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; P176-H392 PolarHBondContact O-ND1 3.38Å
177	D	88.1	Confident	93.8	Very high	104 Å²	104	40.9 Å²	40.9	56%	0.556	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.6	179.4	65.2	-40.6	0	0	0	113.5	K175 H179 H392	K175-D177 VanDerWaalsContact C-N 3.25Å; K175-D177 WeakPolarHBondContact CB-OD1 3.39Å; K175-D177 PolarHBondContact O-N 3.4Å; D177-H179 PolarHBondContact O-ND1 2.85Å; D177-H179 VanDerWaalsContact O-ND1 3.08Å; D177-H392 VanDerWaalsContact CA-CE1 3.49Å; D177-H392 WeakPolarHBondContact CA-CE1 3.39Å; D177-H392 PolarHBondContact O-CE1 3.49Å
178	Q	91.1	Very high	93.3	Very high	33 Å²	33	43.2 Å²	43.2	15%	0.154	21%	0.21	C	C	.	.			trans	-64.4	138.7	179.8	-169.3	58.9	50.1	0	0	110.4	K175 P176 L180 K230 P393	K175-Q178 HydrophobicContact CB-CB 4.2Å; K175-Q178 WeakPolarHBondContact O-CB 3.2Å; K175-Q178 PolarHBondContact O-N 3.3Å; P176-Q178 VanDerWaalsContact C-N 3.29Å; Q178-L180 HydrophobicContact CB-CD2 4.46Å; Q178-L180 HydrophobicContact CG-CD2 3.53Å; Q178-L180 HydrophobicContact CG-CG 4.16Å; Q178-K230 VanDerWaalsContact NE2-CD 3.31Å; Q178-P393 WeakPolarHBondContact O-CD 3.09Å
179	H	91.5	Very high	92.6	Very high	83 Å²	83	45.5 Å²	45.5	38%	0.384	22%	0.224	S	C	.	.			trans	-100.7	124	172.5	-71.7	56.6	0	0	0	109.5	D177 P390 H392	D177-H179 PolarHBondContact O-ND1 2.85Å; D177-H179 VanDerWaalsContact O-ND1 3.08Å; H179-P390 HydrophobicContact CB-CB 3.76Å; H179-P390 PolarHBondContact CD2-O 3.24Å; H179-H392 AromaticContact CE1-CE1 3.58Å; H179-H392 AromaticContact CE1-NE2 3.3Å; H179-H392 PolarHBondContact CE1-NE2 3.25Å; H179-H392 VanDerWaalsContact CE1-NE2 3.3Å; H179-H392 AromaticContact NE2-NE2 3.76Å
180	L	94.4	Very high	91.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-121.8	144.4	-171.5	-58.5	-178	0	0	0	112	L172 Q178 Y225 K230 P390 R391 P393 I396	L172-L180 HydrophobicContact CD2-CD1 3.78Å; Q178-L180 HydrophobicContact CB-CD2 4.46Å; Q178-L180 HydrophobicContact CG-CD2 3.53Å; Q178-L180 HydrophobicContact CG-CG 4.16Å; L180-Y225 HydrophobicContact CD2-CD2 3.95Å; L180-Y225 HydrophobicContact CD2-CE2 3.37Å; L180-K230 WeakPolarHBondContact CA-O 3.43Å; L180-K230 HydrophobicContact CD2-CB 4.49Å; L180-K230 WeakPolarHBondContact CD2-O 3.31Å; L180-P390 WeakPolarHBondContact O-CA 3.44Å; L180-R391 PolarHBondContact N-O 3.26Å; L180-R391 PolarHBondContact O-N 3.24Å; L180-P393 HydrophobicContact CD1-CB 4.09Å; L180-P393 HydrophobicContact CD1-CG 3.76Å; L180-P393 HydrophobicContact CG-CG 4.38Å; L180-I396 HydrophobicContact CB-CD1 3.92Å
181	K	94.8	Very high	91.5	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	161.4	155.9	-76.9	-171.1	171.4	-175.7	0	110.6	K230 V231 A232 D261 L382 N384 N385 P390	K181-K230 PolarHBondContact N-O 2.8Å; K181-V231 HydrophobicContact CB-CG1 4.13Å; K181-V231 CarbonylContact O-C 3.56Å; K181-V231 VanDerWaalsContact O-CA 3.23Å; K181-V231 WeakPolarHBondContact O-CA 3.34Å; K181-A232 PolarHBondContact O-N 3.01Å; K181-D261 VanDerWaalsContact CA-OD2 3.22Å; K181-D261 WeakPolarHBondContact CA-OD2 3.44Å; K181-D261 HydrophobicContact CB-CB 4.24Å; K181-D261 WeakPolarHBondContact CB-OD2 3.49Å; K181-D261 HydrophobicContact CD-CB 4.29Å; K181-D261 HydrophobicContact CG-CB 4.33Å; K181-L382 HydrophobicContact CB-CD2 4.07Å; K181-L382 HydrophobicContact CD-CD2 3.91Å; K181-L382 WeakPolarHBondContact CE-O 3.39Å; K181-L382 PolarHBondContact NZ-O 3.03Å; K181-N384 PolarHBondContact NZ-O 3.38Å; K181-N385 VanDerWaalsContact CE-OD1 3.24Å; K181-N385 WeakPolarHBondContact CE-OD1 3.15Å; K181-N385 PolarHBondContact NZ-OD1 3.39Å; K181-P390 HydrophobicContact CG-CB 4.44Å; K181-P390 HydrophobicContact CG-CG 4.07Å
182	V	96.6	Very high	91.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.6	179.1	-177.5	0	0	0	0	109.4	A232 I234 I259 D261 L262 I396	V182-A232 WeakPolarHBondContact CA-O 3.45Å; V182-A232 HydrophobicContact CG2-CB 4.4Å; V182-I234 HydrophobicContact CG1-CD1 3.38Å; V182-I234 HydrophobicContact CG1-CG1 3.98Å; V182-I259 WeakPolarHBondContact CB-O 3.35Å; V182-I259 HydrophobicContact CG1-CG1 4.46Å; V182-I259 WeakPolarHBondContact CG2-O 3.37Å; V182-D261 PolarHBondContact N-OD2 2.77Å; V182-D261 WeakPolarHBondContact O-CB 3.31Å; V182-D261 PolarHBondContact O-N 2.92Å; V182-L262 PolarHBondContact O-N 2.84Å; V182-I396 HydrophobicContact CG2-CD1 3.69Å; V182-I396 HydrophobicContact CG2-CG1 4.16Å; V182-I396 HydrophobicContact CG2-CG2 3.97Å
183	V	97.9	Very high	91	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	171.5	-175.7	0	0	0	0	108.6	F201 V231 A232 V233 I234 L262 I264 L378 L382	V183-F201 HydrophobicContact CB-CZ 4.18Å; V183-F201 HydrophobicContact CG1-CE2 4.3Å; V183-F201 HydrophobicContact CG1-CZ 3.9Å; V183-F201 HydrophobicContact CG2-CZ 4.22Å; V183-V231 HydrophobicContact CG2-CB 4.35Å; V183-V231 HydrophobicContact CG2-CG1 4.42Å; V183-V231 HydrophobicContact CG2-CG2 4.49Å; V183-A232 PolarHBondContact N-O 3.19Å; V183-V233 CarbonylContact O-C 3.55Å; V183-V233 WeakPolarHBondContact O-CA 3.5Å; V183-I234 PolarHBondContact O-N 2.86Å; V183-L262 VanDerWaalsContact CA-O 3.31Å; V183-L262 WeakPolarHBondContact CA-O 3.04Å; V183-L262 HydrophobicContact CG2-CB 4.37Å; V183-I264 HydrophobicContact CG1-CD1 4.01Å; V183-I264 HydrophobicContact CG1-CG1 4.21Å; V183-L378 HydrophobicContact CG1-CD2 4.34Å; V183-L382 HydrophobicContact CG2-CD1 4.45Å; V183-L382 HydrophobicContact CG2-CD2 3.77Å
184	S	97	Very high	91	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.3	173	57.9	0	0	0	0	111.7	I234 V256 S260 L262 V263 I264	S184-I234 WeakPolarHBondContact CA-O 3.44Å; S184-V256 VanDerWaalsContact CB-CG1 3.49Å; S184-S260 WeakPolarHBondContact CB-OG 3.47Å; S184-S260 WeakPolarHBondContact OG-CB 3.25Å; S184-S260 PolarHBondContact OG-OG 3.2Å; S184-L262 PolarHBondContact N-O 2.82Å; S184-V263 CarbonylContact O-C 3.5Å; S184-V263 WeakPolarHBondContact O-CA 3.4Å; S184-I264 PolarHBondContact O-N 3.23Å
185	I	95.4	Very high	91	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.8	173.6	-166.9	161.6	0	0	0	110.6	K193 T196 L197 I234 D235 T236 I264 R266	I185-K193 HydrophobicContact CD1-CB 4.04Å; I185-K193 HydrophobicContact CD1-CG 4.37Å; I185-K193 HydrophobicContact CG1-CB 4.18Å; I185-K193 HydrophobicContact CG1-CD 4.49Å; I185-K193 HydrophobicContact CG1-CG 4.19Å; I185-K193 HydrophobicContact CG2-CB 3.95Å; I185-K193 HydrophobicContact CG2-CD 4.43Å; I185-T196 HydrophobicContact CD1-CG2 3.95Å; I185-L197 HydrophobicContact CB-CD1 4.25Å; I185-L197 HydrophobicContact CB-CD2 4.06Å; I185-L197 HydrophobicContact CB-CG 4.22Å; I185-L197 HydrophobicContact CD1-CD2 4.13Å; I185-L197 HydrophobicContact CD1-CG 4.05Å; I185-L197 HydrophobicContact CG2-CD1 3.46Å; I185-L197 VanDerWaalsContact CG2-CD1 3.46Å; I185-L197 HydrophobicContact CG2-CD2 4.2Å; I185-L197 HydrophobicContact CG2-CG 3.84Å; I185-I234 PolarHBondContact N-O 3.25Å; I185-I234 VanDerWaalsContact N-O 3.15Å; I185-D235 WeakPolarHBondContact CG2-OD1 3.45Å; I185-T236 WeakPolarHBondContact O-CG2 3.24Å; I185-T236 PolarHBondContact O-OG1 2.84Å; I185-I264 CarbonylContact C-O 3.57Å; I185-I264 VanDerWaalsContact CA-O 3.25Å; I185-I264 WeakPolarHBondContact CA-O 3.4Å; I185-I264 HydrophobicContact CB-CB 4.32Å; I185-I264 HydrophobicContact CD1-CB 4.36Å; I185-I264 HydrophobicContact CD1-CG2 4.09Å; I185-I264 HydrophobicContact CG1-CB 3.99Å; I185-I264 HydrophobicContact CG1-CG2 4.08Å; I185-I264 WeakPolarHBondContact CG1-O 3.49Å; I185-R266 HydrophobicContact CD1-CB 3.99Å; I185-R266 HydrophobicContact CG1-CB 4.07Å
186	F	92.1	Very high	91.2	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164	170.9	-58.9	-56.2	0	0	0	110.2	T236 L239 L253 V256 L257 V263 I264 Y265 R266 F279	F186-T236 HydrophobicContact CD1-CG2 3.96Å; F186-T236 WeakPolarHBondContact CD1-OG1 3.44Å; F186-T236 HydrophobicContact CE1-CG2 3.72Å; F186-L239 HydrophobicContact CB-CD1 4.4Å; F186-L239 HydrophobicContact CD1-CD1 3.2Å; F186-L239 HydrophobicContact CD1-CG 4.23Å; F186-L239 HydrophobicContact CE1-CD1 3.56Å; F186-L239 HydrophobicContact CG-CD1 3.96Å; F186-L253 HydrophobicContact CD1-CD1 4.34Å; F186-L253 HydrophobicContact CD2-CD1 4.28Å; F186-L253 HydrophobicContact CE1-CD1 3.85Å; F186-L253 HydrophobicContact CE2-CD1 3.87Å; F186-L253 HydrophobicContact CZ-CD1 3.61Å; F186-V256 HydrophobicContact CE1-CB 4.17Å; F186-V256 HydrophobicContact CE1-CG1 3.87Å; F186-V256 HydrophobicContact CZ-CB 3.92Å; F186-V256 HydrophobicContact CZ-CG1 3.55Å; F186-L257 HydrophobicContact CE2-CD2 3.61Å; F186-L257 HydrophobicContact CE2-CG 4.05Å; F186-L257 HydrophobicContact CZ-CD2 4.2Å; F186-L257 HydrophobicContact CZ-CG 4.18Å; F186-V263 HydrophobicContact CD2-CG1 3.24Å; F186-V263 HydrophobicContact CE2-CB 4.43Å; F186-V263 HydrophobicContact CE2-CG1 3.48Å; F186-V263 VanDerWaalsContact CE2-CG1 3.48Å; F186-V263 HydrophobicContact CE2-CG2 4.04Å; F186-V263 HydrophobicContact CG-CG1 4.38Å; F186-I264 PolarHBondContact N-O 2.87Å; F186-Y265 HydrophobicContact CB-CD2 4.27Å; F186-Y265 CarbonylContact O-C 3.47Å; F186-R266 PolarHBondContact O-N 3.43Å; F186-F279 HydrophobicContact CB-CE1 4.46Å
187	G	88.9	Confident	91.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	176.5	-178.9	0	0	0	0	0	110.6	R266	G187-R266 WeakPolarHBondContact CA-O 3.49Å
188	N	85	Confident	91.8	Very high	58 Å²	58	21.5 Å²	21.5	31%	0.31	13%	0.134	S	C	.	.			trans	-65.5	162.9	177.1	-61.4	-36.4	0	0	0	111.2	G190 D191 K193 L240	N188-G190 PolarHBondContact O-N 3.01Å; N188-D191 WeakPolarHBondContact CA-OD2 3.45Å; N188-D191 VanDerWaalsContact CB-OD2 3.25Å; N188-D191 WeakPolarHBondContact CB-OD2 3.16Å; N188-D191 PolarHBondContact N-OD2 3.5Å; N188-D191 PolarHBondContact O-N 3.21Å; N188-K193 PolarHBondContact O-NZ 2.79Å; N188-L240 WeakPolarHBondContact OD1-CB 3.44Å; N188-L240 WeakPolarHBondContact OD1-CD1 3.46Å; N188-L240 WeakPolarHBondContact OD1-CG 3.36Å
189	T	82.3	Confident	91.9	Very high	52 Å²	52	22.6 Å²	22.6	32%	0.319	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	131.4	163.8	-55.4	0	0	0	0	108.6	C217 G238 G241	T189-C217 HydrophobicContact CG2-CB 3.98Å; T189-C217 WeakPolarHBondContact CG2-SG 3.49Å; T189-G238 PolarHBondContact OG1-O 3.28Å; T189-G241 WeakPolarHBondContact OG1-CA 3.36Å
190	G	80.5	Confident	92.1	Very high	71 Å²	71	18.8 Å²	18.8	73%	0.732	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	-6.6	-178.1	0	0	0	0	0	116.5	N188 G192	N188-G190 PolarHBondContact O-N 3.01Å; G190-G192 PolarHBondContact O-N 2.98Å
191	D	86.3	Confident	92.1	Very high	19 Å²	19	18.9 Å²	18.9	10%	0.102	12%	0.122	C	C	.	.	S	Bend	trans	-70	1.7	-178.6	-81.5	-9.8	0	0	0	115	N188 R266	N188-D191 WeakPolarHBondContact CA-OD2 3.45Å; N188-D191 VanDerWaalsContact CB-OD2 3.25Å; N188-D191 WeakPolarHBondContact CB-OD2 3.16Å; N188-D191 PolarHBondContact N-OD2 3.5Å; N188-D191 PolarHBondContact O-N 3.21Å; D191-R266 HydrophobicContact CB-CG 4.08Å; D191-R266 WeakPolarHBondContact O-CG 3.34Å; D191-R266 PolarHBondContact O-NE 3.16Å; D191-R266 PolarHBondContact O-NH2 3.25Å
192	G	89.2	Confident	92.1	Very high	27 Å²	27	18.4 Å²	18.4	28%	0.278	12%	0.12	S	C	.	.			trans	74.3	39.5	-179.5	0	0	0	0	0	114	G190 T196	G190-G192 PolarHBondContact O-N 2.98Å; G192-T196 WeakPolarHBondContact O-CB 3.39Å; G192-T196 PolarHBondContact O-N 3.3Å; G192-T196 PolarHBondContact O-OG1 2.94Å
193	K	91.9	Very high	91.8	Very high	12 Å²	12	20.4 Å²	20.4	5%	0.052	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-58.3	179	-64.2	-172.3	-59.3	-63.2	0	112.6	I185 N188 H195 T196 L197 T236 G238 R266	I185-K193 HydrophobicContact CD1-CB 4.04Å; I185-K193 HydrophobicContact CD1-CG 4.37Å; I185-K193 HydrophobicContact CG1-CB 4.18Å; I185-K193 HydrophobicContact CG1-CD 4.49Å; I185-K193 HydrophobicContact CG1-CG 4.19Å; I185-K193 HydrophobicContact CG2-CB 3.95Å; I185-K193 HydrophobicContact CG2-CD 4.43Å; N188-K193 PolarHBondContact O-NZ 2.79Å; K193-H195 VanDerWaalsContact C-N 3.27Å; K193-H195 PolarHBondContact O-N 2.95Å; K193-T196 WeakPolarHBondContact O-CA 3.46Å; K193-T196 WeakPolarHBondContact O-CB 2.86Å; K193-T196 PolarHBondContact O-N 3Å; K193-L197 PolarHBondContact O-N 3.39Å; K193-T236 WeakPolarHBondContact CE-O 3.49Å; K193-G238 VanDerWaalsContact NZ-CA 3.33Å; K193-R266 HydrophobicContact CG-CB 4.33Å; K193-R266 HydrophobicContact CG-CG 4.44Å
194	S	93.6	Very high	91.4	Very high	11 Å²	11	21.9 Å²	21.9	8%	0.077	14%	0.143	C	C	.	.	H	α-helix	trans	-57.7	-40.8	178.2	-40.6	0	0	0	0	111.8	L197 N198 T218 D235	S194-L197 PolarHBondContact O-N 3.44Å; S194-N198 WeakPolarHBondContact O-CB 3.22Å; S194-N198 PolarHBondContact O-N 3.13Å; S194-N198 PolarHBondContact O-ND2 3.4Å; S194-T218 PolarHBondContact OG-OG1 3.26Å; S194-D235 WeakPolarHBondContact CB-OD2 3.35Å; S194-D235 PolarHBondContact OG-OD2 2.81Å
195	H	93.1	Very high	91.1	Very high	68 Å²	68	25.9 Å²	25.9	32%	0.315	16%	0.158	S	C	.	.	H	α-helix	trans	-60.5	-46.4	173.1	177.6	-90	0	0	0	112.1	K193 L197 N198 H199 T210 F371	K193-H195 VanDerWaalsContact C-N 3.27Å; K193-H195 PolarHBondContact O-N 2.95Å; H195-L197 VanDerWaalsContact C-N 3.35Å; H195-L197 PolarHBondContact O-N 2.84Å; H195-N198 PolarHBondContact O-N 2.92Å; H195-H199 AromaticContact CD2-CD2 3.68Å; H195-H199 AromaticContact CD2-NE2 3.75Å; H195-H199 AromaticContact CE1-CD2 3.54Å; H195-H199 AromaticContact CE1-NE2 3.79Å; H195-H199 AromaticContact ND1-CD2 3.92Å; H195-H199 AromaticContact NE2-CD2 3.4Å; H195-H199 PolarHBondContact NE2-CD2 2.64Å; H195-H199 AromaticContact NE2-NE2 3.25Å; H195-H199 PolarHBondContact NE2-NE2 3.05Å; H195-H199 PolarHBondContact O-CD2 3.41Å; H195-H199 VanDerWaalsContact O-CD2 3.31Å; H195-H199 PolarHBondContact O-N 3.48Å; H195-T210 HydrophobicContact CB-CG2 4.14Å; H195-F371 AromaticContact CE1-CZ 3.78Å; H195-F371 AromaticContact ND1-CZ 3.79Å
196	T	95.2	Very high	90.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-45.4	176.8	-60.5	0	0	0	0	111.2	I185 G192 K193 H199 T200 F318 F371 L374	I185-T196 HydrophobicContact CD1-CG2 3.95Å; G192-T196 WeakPolarHBondContact O-CB 3.39Å; G192-T196 PolarHBondContact O-N 3.3Å; G192-T196 PolarHBondContact O-OG1 2.94Å; K193-T196 WeakPolarHBondContact O-CA 3.46Å; K193-T196 WeakPolarHBondContact O-CB 2.86Å; K193-T196 PolarHBondContact O-N 3Å; T196-H199 PolarHBondContact O-N 3.16Å; T196-T200 WeakPolarHBondContact O-CB 3.21Å; T196-T200 PolarHBondContact O-N 3Å; T196-T200 PolarHBondContact O-OG1 3.22Å; T196-F318 HydrophobicContact CG2-CD1 3.87Å; T196-F318 HydrophobicContact CG2-CE1 3.96Å; T196-F371 HydrophobicContact CG2-CD1 4.33Å; T196-F371 HydrophobicContact CG2-CE1 3.99Å; T196-L374 HydrophobicContact CG2-CD2 3.8Å
197	L	96.6	Very high	91	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-45.8	178.3	-68.7	-179.1	0	0	0	112.3	I185 K193 S194 H195 H199 T200 F201 F208 V233 D235 I264	I185-L197 HydrophobicContact CB-CD1 4.25Å; I185-L197 HydrophobicContact CB-CD2 4.06Å; I185-L197 HydrophobicContact CB-CG 4.22Å; I185-L197 HydrophobicContact CD1-CD2 4.13Å; I185-L197 HydrophobicContact CD1-CG 4.05Å; I185-L197 HydrophobicContact CG2-CD1 3.46Å; I185-L197 VanDerWaalsContact CG2-CD1 3.46Å; I185-L197 HydrophobicContact CG2-CD2 4.2Å; I185-L197 HydrophobicContact CG2-CG 3.84Å; K193-L197 PolarHBondContact O-N 3.39Å; S194-L197 PolarHBondContact O-N 3.44Å; H195-L197 VanDerWaalsContact C-N 3.35Å; H195-L197 PolarHBondContact O-N 2.84Å; L197-H199 VanDerWaalsContact C-N 3.35Å; L197-H199 PolarHBondContact O-N 2.78Å; L197-T200 PolarHBondContact O-N 3.11Å; L197-F201 HydrophobicContact CD2-CD2 3.96Å; L197-F201 HydrophobicContact CD2-CE2 3.78Å; L197-F201 PolarHBondContact O-N 2.78Å; L197-F208 HydrophobicContact CB-CD2 3.79Å; L197-F208 HydrophobicContact CB-CE2 3.91Å; L197-F208 HydrophobicContact CD1-CD2 3.94Å; L197-F208 HydrophobicContact CD1-CE2 3.69Å; L197-F208 HydrophobicContact CD1-CZ 4.29Å; L197-F208 HydrophobicContact CG-CE2 4.45Å; L197-V233 HydrophobicContact CB-CG1 4.36Å; L197-V233 HydrophobicContact CD1-CG1 3.87Å; L197-V233 HydrophobicContact CD2-CG1 3.67Å; L197-V233 HydrophobicContact CG-CG1 4.18Å; L197-D235 HydrophobicContact CD1-CB 3.57Å; L197-I264 HydrophobicContact CD2-CD1 4.39Å
198	N	95.3	Very high	91.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-57.4	-45.2	177.3	-73.1	-20.7	0	0	0	112.3	S194 H195 F202 Y203 G204 R205 V207 F208	S194-N198 WeakPolarHBondContact O-CB 3.22Å; S194-N198 PolarHBondContact O-N 3.13Å; S194-N198 PolarHBondContact O-ND2 3.4Å; H195-N198 PolarHBondContact O-N 2.92Å; N198-F202 CarbonylContact O-C 3.51Å; N198-F202 VanDerWaalsContact O-CA 3.29Å; N198-F202 WeakPolarHBondContact O-CA 3.28Å; N198-F202 WeakPolarHBondContact O-CB 3.33Å; N198-F202 PolarHBondContact O-N 2.59Å; N198-Y203 PolarHBondContact O-N 2.97Å; N198-G204 PolarHBondContact O-N 3.45Å; N198-R205 VanDerWaalsContact CB-O 3.25Å; N198-R205 WeakPolarHBondContact CB-O 3.13Å; N198-R205 PolarHBondContact OD1-O 3.25Å; N198-V207 PolarHBondContact OD1-N 3.26Å; N198-V207 VanDerWaalsContact OD1-N 3.13Å; N198-F208 PolarHBondContact ND2-O 2.74Å; N198-F208 PolarHBondContact OD1-N 2.98Å
199	H	93.5	Very high	91.4	Very high	55 Å²	55	36.8 Å²	36.8	26%	0.255	21%	0.205	S	C	.	.	H	α-helix	trans	-73.9	-29.1	178.7	-81.8	-90.3	0	0	0	113.9	H195 T196 L197 F371	H195-H199 AromaticContact CD2-CD2 3.68Å; H195-H199 AromaticContact CD2-NE2 3.75Å; H195-H199 AromaticContact CE1-CD2 3.54Å; H195-H199 AromaticContact CE1-NE2 3.79Å; H195-H199 AromaticContact ND1-CD2 3.92Å; H195-H199 AromaticContact NE2-CD2 3.4Å; H195-H199 PolarHBondContact NE2-CD2 2.64Å; H195-H199 AromaticContact NE2-NE2 3.25Å; H195-H199 PolarHBondContact NE2-NE2 3.05Å; H195-H199 PolarHBondContact O-CD2 3.41Å; H195-H199 VanDerWaalsContact O-CD2 3.31Å; H195-H199 PolarHBondContact O-N 3.48Å; T196-H199 PolarHBondContact O-N 3.16Å; L197-H199 VanDerWaalsContact C-N 3.35Å; L197-H199 PolarHBondContact O-N 2.78Å; H199-F371 HydrophobicContact CB-CD1 4.42Å; H199-F371 HydrophobicContact CB-CD2 3.42Å; H199-F371 VanDerWaalsContact CB-CD2 3.42Å; H199-F371 HydrophobicContact CB-CE1 4.39Å; H199-F371 HydrophobicContact CB-CE2 3.38Å; H199-F371 HydrophobicContact CB-CG 3.96Å; H199-F371 HydrophobicContact CB-CZ 3.92Å; H199-F371 AromaticContact CG-CD2 3.96Å; H199-F371 AromaticContact CG-CE2 3.57Å; H199-F371 AromaticContact ND1-CE2 3.97Å
200	T	94.3	Very high	91.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-82.2	-43.8	-176.2	-59.7	0	0	0	0	112.2	T196 L197 L374 R375 L378	T196-T200 WeakPolarHBondContact O-CB 3.21Å; T196-T200 PolarHBondContact O-N 3Å; T196-T200 PolarHBondContact O-OG1 3.22Å; L197-T200 PolarHBondContact O-N 3.11Å; T200-L374 HydrophobicContact CG2-CD2 4.29Å; T200-L374 HydrophobicContact CG2-CG 4.39Å; T200-R375 HydrophobicContact CG2-CG 3.89Å; T200-R375 WeakPolarHBondContact O-CD 3.49Å; T200-L378 HydrophobicContact CG2-CD1 3.18Å
201	F	95.1	Very high	91.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-106.7	-27.8	-173.2	-65.5	-78.4	0	0	0	113.7	V183 L197 D226 V231 V233 I264 L378	V183-F201 HydrophobicContact CB-CZ 4.18Å; V183-F201 HydrophobicContact CG1-CE2 4.3Å; V183-F201 HydrophobicContact CG1-CZ 3.9Å; V183-F201 HydrophobicContact CG2-CZ 4.22Å; L197-F201 HydrophobicContact CD2-CD2 3.96Å; L197-F201 HydrophobicContact CD2-CE2 3.78Å; L197-F201 PolarHBondContact O-N 2.78Å; F201-D226 HydrophobicContact CB-CB 4.41Å; F201-D226 HydrophobicContact CD1-CB 4.37Å; F201-D226 WeakPolarHBondContact CD1-OD2 3.33Å; F201-V231 HydrophobicContact CD1-CG2 4.07Å; F201-V231 HydrophobicContact CE1-CG2 3.91Å; F201-V233 HydrophobicContact CB-CG2 4.23Å; F201-V233 HydrophobicContact CD1-CG2 3.97Å; F201-V233 HydrophobicContact CD2-CG1 3.94Å; F201-V233 HydrophobicContact CD2-CG2 4.06Å; F201-V233 HydrophobicContact CE1-CG2 4.37Å; F201-V233 HydrophobicContact CE2-CG1 4.19Å; F201-V233 HydrophobicContact CE2-CG2 4.45Å; F201-V233 HydrophobicContact CG-CG1 4.48Å; F201-V233 HydrophobicContact CG-CG2 3.81Å; F201-I264 HydrophobicContact CE2-CD1 4.26Å; F201-L378 HydrophobicContact CE2-CD1 4.37Å; F201-L378 HydrophobicContact CZ-CD1 3.93Å; F201-L378 HydrophobicContact CZ-CD2 4.27Å
202	F	94.8	Very high	90.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	23%	0.226	C	C	.	.	S	Bend	trans	-121	23.4	-170.4	-50.9	-60.3	0	0	0	113.2	T145 V148 N198 G204 R205 V207 F208 A224 D226 V233	T145-F202 HydrophobicContact CG2-CD1 4.27Å; V148-F202 HydrophobicContact CB-CE1 4.38Å; V148-F202 HydrophobicContact CG1-CD1 4.23Å; V148-F202 HydrophobicContact CG1-CE1 3.69Å; V148-F202 HydrophobicContact CG1-CZ 4.15Å; N198-F202 CarbonylContact O-C 3.51Å; N198-F202 VanDerWaalsContact O-CA 3.29Å; N198-F202 WeakPolarHBondContact O-CA 3.28Å; N198-F202 WeakPolarHBondContact O-CB 3.33Å; N198-F202 PolarHBondContact O-N 2.59Å; F202-G204 PolarHBondContact O-N 3.04Å; F202-R205 HydrophobicContact CB-CB 4.4Å; F202-R205 VanDerWaalsContact O-CB 3.23Å; F202-R205 WeakPolarHBondContact O-CB 3.29Å; F202-R205 PolarHBondContact O-N 3.33Å; F202-V207 HydrophobicContact CB-CG2 3.77Å; F202-V207 HydrophobicContact CD1-CG2 4.04Å; F202-V207 HydrophobicContact CD2-CB 3.62Å; F202-V207 HydrophobicContact CD2-CG1 4.05Å; F202-V207 HydrophobicContact CD2-CG2 3.72Å; F202-V207 HydrophobicContact CE2-CB 3.96Å; F202-V207 HydrophobicContact CE2-CG1 3.86Å; F202-V207 HydrophobicContact CE2-CG2 4.33Å; F202-V207 HydrophobicContact CG-CB 4.03Å; F202-V207 HydrophobicContact CG-CG2 3.56Å; F202-V207 HydrophobicContact CZ-CG1 4.2Å; F202-F208 HydrophobicContact CE2-CD2 4.16Å; F202-F208 AromaticContact CE2-CE2 3.68Å; F202-F208 HydrophobicContact CE2-CE2 3.68Å; F202-A224 HydrophobicContact CE2-CB 4.25Å; F202-A224 HydrophobicContact CZ-CB 3.85Å; F202-D226 HydrophobicContact CE1-CB 3.92Å; F202-D226 HydrophobicContact CZ-CB 4.34Å; F202-V233 HydrophobicContact CZ-CB 4.38Å; F202-V233 HydrophobicContact CZ-CG2 4.1Å
203	Y	89.6	Confident	88.9	Confident	42 Å²	42	44.1 Å²	44.1	17%	0.165	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	33.4	173.8	-56.9	-88.4	0	0	0	114	E138 R141 K142 T145 N198 V228	E138-Y203 HydrophobicContact CG-CD1 4.37Å; E138-Y203 HydrophobicContact CG-CE1 4.33Å; R141-Y203 HydrophobicContact CB-CE1 4.27Å; R141-Y203 HydrophobicContact CB-CE2 3.86Å; R141-Y203 WeakPolarHBondContact CB-OH 3.37Å; R141-Y203 VanDerWaalsContact CD-OH 3.27Å; R141-Y203 WeakPolarHBondContact CD-OH 3.39Å; K142-Y203 HydrophobicContact CG-CD1 4.15Å; K142-Y203 HydrophobicContact CG-CD2 4.22Å; K142-Y203 HydrophobicContact CG-CG 3.78Å; T145-Y203 HydrophobicContact CG2-CD2 4.17Å; T145-Y203 HydrophobicContact CG2-CE2 4.06Å; N198-Y203 PolarHBondContact O-N 2.97Å; Y203-V228 HydrophobicContact CE2-CG2 4.31Å
204	G	88.9	Confident	87.1	Confident	31 Å²	31	52.7 Å²	52.7	32%	0.32	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-0.4	179.5	0	0	0	0	0	114.5	N198 F202	N198-G204 PolarHBondContact O-N 3.45Å; F202-G204 PolarHBondContact O-N 3.04Å
205	R	91.5	Very high	85.2	Confident	85 Å²	85	61.3 Å²	61.3	32%	0.321	31%	0.314	S	S	.	.			trans	-70.6	136.6	174.1	-175.3	173.8	160.3	-105	-13.9	110.2	T145 E146 V148 N198 F202 V207	T145-R205 PolarHBondContact O-NH1 3.2Å; E146-R205 PolarHBondContact O-NE 3.46Å; E146-R205 PolarHBondContact O-NH1 3.27Å; E146-R205 PolarHBondContact O-NH2 3.16Å; V148-R205 PolarHBondContact O-NH1 3.01Å; V148-R205 PolarHBondContact O-NH2 3.46Å; N198-R205 VanDerWaalsContact CB-O 3.25Å; N198-R205 WeakPolarHBondContact CB-O 3.13Å; N198-R205 PolarHBondContact OD1-O 3.25Å; F202-R205 HydrophobicContact CB-CB 4.4Å; F202-R205 VanDerWaalsContact O-CB 3.23Å; F202-R205 WeakPolarHBondContact O-CB 3.29Å; F202-R205 PolarHBondContact O-N 3.33Å; R205-V207 VanDerWaalsContact C-N 3.32Å; R205-V207 HydrophobicContact CG-CG2 4.42Å; R205-V207 PolarHBondContact O-N 3.38Å
206	E	91.6	Very high	83.4	Confident	110 Å²	110	61.2 Å²	61.2	51%	0.514	32%	0.321	S	S	.	.			trans	-76.2	81.2	179.2	-166.8	174.6	-143	0	0	111.4	F208 T210	E206-F208 WeakPolarHBondContact CG-O 3.31Å; E206-T210 WeakPolarHBondContact OE1-CB 3.39Å; E206-T210 PolarHBondContact OE1-N 3.24Å; E206-T210 PolarHBondContact OE1-OG1 3.24Å
207	V	94.9	Very high	82.1	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.048	34%	0.338	C	S	.	.	S	Bend	trans	-85.3	-45.5	173.6	173.2	0	0	0	0	109.7	V148 S150 N198 F202 R205 A224	V148-V207 HydrophobicContact CB-CG2 4.49Å; V148-V207 HydrophobicContact CG1-CG1 3.94Å; V148-V207 HydrophobicContact CG1-CG2 4.38Å; S150-V207 VanDerWaalsContact CB-O 3.31Å; S150-V207 WeakPolarHBondContact CB-O 3.34Å; S150-V207 PolarHBondContact OG-O 2.81Å; N198-V207 PolarHBondContact OD1-N 3.26Å; N198-V207 VanDerWaalsContact OD1-N 3.13Å; F202-V207 HydrophobicContact CB-CG2 3.77Å; F202-V207 HydrophobicContact CD1-CG2 4.04Å; F202-V207 HydrophobicContact CD2-CB 3.62Å; F202-V207 HydrophobicContact CD2-CG1 4.05Å; F202-V207 HydrophobicContact CD2-CG2 3.72Å; F202-V207 HydrophobicContact CE2-CB 3.96Å; F202-V207 HydrophobicContact CE2-CG1 3.86Å; F202-V207 HydrophobicContact CE2-CG2 4.33Å; F202-V207 HydrophobicContact CG-CB 4.03Å; F202-V207 HydrophobicContact CG-CG2 3.56Å; F202-V207 HydrophobicContact CZ-CG1 4.2Å; R205-V207 VanDerWaalsContact C-N 3.32Å; R205-V207 HydrophobicContact CG-CG2 4.42Å; R205-V207 PolarHBondContact O-N 3.38Å; V207-A224 HydrophobicContact CG1-CB 3.68Å
208	F	93.9	Very high	80.8	Confident	2 Å²	2	65 Å²	65	1%	0.009	35%	0.346	C	S	.	.	S	Bend	trans	-92.4	132.3	166.6	-60.7	-71.5	0	0	0	109.1	L197 N198 F202 E206 T210 W222 A224 V233 D235	L197-F208 HydrophobicContact CB-CD2 3.79Å; L197-F208 HydrophobicContact CB-CE2 3.91Å; L197-F208 HydrophobicContact CD1-CD2 3.94Å; L197-F208 HydrophobicContact CD1-CE2 3.69Å; L197-F208 HydrophobicContact CD1-CZ 4.29Å; L197-F208 HydrophobicContact CG-CE2 4.45Å; N198-F208 PolarHBondContact ND2-O 2.74Å; N198-F208 PolarHBondContact OD1-N 2.98Å; F202-F208 HydrophobicContact CE2-CD2 4.16Å; F202-F208 AromaticContact CE2-CE2 3.68Å; F202-F208 HydrophobicContact CE2-CE2 3.68Å; E206-F208 WeakPolarHBondContact CG-O 3.31Å; F208-T210 PolarHBondContact O-N 3.4Å; F208-W222 HydrophobicContact CD1-CB 3.92Å; F208-W222 HydrophobicContact CE1-CB 3.88Å; F208-A224 HydrophobicContact CE1-CB 4.07Å; F208-A224 HydrophobicContact CE2-CB 4.25Å; F208-A224 HydrophobicContact CZ-CB 3.63Å; F208-V233 HydrophobicContact CE2-CB 4.28Å; F208-V233 HydrophobicContact CE2-CG1 3.76Å; F208-V233 HydrophobicContact CZ-CB 4.23Å; F208-V233 HydrophobicContact CZ-CG1 4.03Å; F208-D235 HydrophobicContact CD1-CB 3.56Å; F208-D235 HydrophobicContact CD2-CB 4.31Å; F208-D235 HydrophobicContact CE1-CB 3.66Å; F208-D235 HydrophobicContact CE2-CB 4.36Å; F208-D235 HydrophobicContact CG-CB 3.91Å; F208-D235 HydrophobicContact CZ-CB 4.07Å
209	K	88.3	Confident	80.1	Confident	170 Å²	170	68 Å²	68	74%	0.739	37%	0.365	S	S	*	.			trans	-62.5	132	-178.3	-68.2	-174.6	177.2	-179.3	0	110.5
210	T	84.9	Confident	79.7	Confident	63 Å²	63	65.5 Å²	65.5	39%	0.387	35%	0.353	S	S	.	.			trans	-108.2	151.6	171.3	64	0	0	0	0	109.3	H195 E206 F208	H195-T210 HydrophobicContact CB-CG2 4.14Å; E206-T210 WeakPolarHBondContact OE1-CB 3.39Å; E206-T210 PolarHBondContact OE1-N 3.24Å; E206-T210 PolarHBondContact OE1-OG1 3.24Å; F208-T210 PolarHBondContact O-N 3.4Å
211	S	73.2	Confident	79.6	Confident	48 Å²	48	65.4 Å²	65.4	34%	0.336	35%	0.352	S	S	.	.			trans	-138.9	138.8	172.6	179.8	0	0	0	0	110.2	T213 S216	S211-T213 VanDerWaalsContact C-N 3.27Å; S211-T213 PolarHBondContact OG-N 3.2Å; S211-T213 VanDerWaalsContact OG-N 3.11Å; S211-T213 PolarHBondContact OG-OG1 3.24Å; S211-S216 WeakPolarHBondContact CB-O 3.34Å; S211-S216 WeakPolarHBondContact CB-OG 3.49Å; S211-S216 PolarHBondContact OG-OG 2.83Å
212	P	65.3	Low	79.5	Confident	136 Å²	136	68.6 Å²	68.6	88%	0.883	36%	0.364	S	S	*	.	S	Bend	trans	-79	-9.1	171.8	33.2	-34.5	0	0	0	112.7
213	T	61.2	Low	79.7	Confident	75 Å²	75	68.6 Å²	68.6	46%	0.46	37%	0.365	S	S	.	.	S	Bend	trans	-88.4	141.1	-176.2	66.8	0	0	0	0	111.9	S211 E215 S216	S211-T213 VanDerWaalsContact C-N 3.27Å; S211-T213 PolarHBondContact OG-N 3.2Å; S211-T213 VanDerWaalsContact OG-N 3.11Å; S211-T213 PolarHBondContact OG-OG1 3.24Å; T213-E215 PolarHBondContact O-N 3.46Å; T213-S216 PolarHBondContact O-N 2.93Å; T213-S216 WeakPolarHBondContact OG1-CB 3.15Å; T213-S216 PolarHBondContact OG1-N 2.72Å
214	Q	54.6	Low	80.1	Confident	193 Å²	193	66.6 Å²	66.6	90%	0.902	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	178.3	-66.3	-176.3	-9.9	0	0	113.1
215	E	52.9	Low	80.5	Confident	192 Å²	192	66.3 Å²	66.3	90%	0.897	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-17.8	-175.3	-63	171.5	-177.3	0	0	113.3	T213	T213-E215 PolarHBondContact O-N 3.46Å
216	S	56.3	Low	80.7	Confident	65 Å²	65	62.3 Å²	62.3	46%	0.455	33%	0.331	S	S	.	.			trans	-110.5	97.3	179.3	127.7	0	0	0	0	109.9	S211 T213	S211-S216 WeakPolarHBondContact CB-O 3.34Å; S211-S216 WeakPolarHBondContact CB-OG 3.49Å; S211-S216 PolarHBondContact OG-OG 2.83Å; T213-S216 PolarHBondContact O-N 2.93Å; T213-S216 WeakPolarHBondContact OG1-CB 3.15Å; T213-S216 PolarHBondContact OG1-N 2.72Å
217	C	68	Low	80.8	Confident	54 Å²	54	58.2 Å²	58.2	37%	0.365	31%	0.314	S	S	.	.			trans	-109.3	163.2	176.9	-63.9	0	0	0	0	110.8	T189 V219	T189-C217 HydrophobicContact CG2-CB 3.98Å; T189-C217 WeakPolarHBondContact CG2-SG 3.49Å; C217-V219 PolarHBondContact O-N 3.45Å; C217-V219 VanDerWaalsContact O-N 3.14Å
218	T	69.7	Low	80.6	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.153	32%	0.322	C	S	.	.			trans	-56.6	119.1	168.4	-48.2	0	0	0	0	108.7	S194 W222 D235 E237	S194-T218 PolarHBondContact OG-OG1 3.26Å; T218-W222 HydrophobicContact CG2-CG 4.5Å; T218-D235 PolarHBondContact OG1-OD2 3.03Å; T218-E237 WeakPolarHBondContact O-CA 3.12Å; T218-E237 WeakPolarHBondContact O-CB 3.18Å; T218-E237 VanDerWaalsContact O-CG 3.28Å; T218-E237 WeakPolarHBondContact O-CG 3.39Å
219	V	79.7	Confident	80.5	Confident	69 Å²	69	61.6 Å²	61.6	42%	0.418	33%	0.332	S	S	.	.			trans	-99.9	131.3	174.1	178	0	0	0	0	108.4	E156 C217 W222	E156-V219 HydrophobicContact CB-CG1 3.71Å; C217-V219 PolarHBondContact O-N 3.45Å; C217-V219 VanDerWaalsContact O-N 3.14Å; V219-W222 PolarHBondContact O-NE1 2.75Å
220	G	85.1	Confident	80.8	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.01	32%	0.32	C	S	.	.	S	Bend	trans	72.2	-156.5	-177.8	0	0	0	0	0	113.7	V154 E237	V154-G220 CarbonylContact O-C 3.56Å; V154-G220 WeakPolarHBondContact O-CA 3.45Å; G220-E237 PolarHBondContact N-OE2 3.38Å; G220-E237 WeakPolarHBondContact O-CB 3.43Å; G220-E237 PolarHBondContact O-N 3.2Å
221	V	91.4	Very high	81.4	Confident	1 Å²	1	56 Å²	56	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128	-179.6	179.1	0	0	0	0	109.6	L153 V154 I234 D235 T236 L252 V256	L153-V221 WeakPolarHBondContact CA-O 3.38Å; L153-V221 WeakPolarHBondContact CB-O 3.23Å; L153-V221 PolarHBondContact N-O 3.27Å; V154-V221 HydrophobicContact CB-CB 3.98Å; V154-V221 HydrophobicContact CB-CG2 4.35Å; V154-V221 HydrophobicContact CG2-CB 4.22Å; V154-V221 PolarHBondContact N-O 2.89Å; V154-V221 VanDerWaalsContact N-O 3.08Å; V154-V221 PolarHBondContact O-N 2.78Å; V221-I234 HydrophobicContact CG1-CG2 3.31Å; V221-D235 WeakPolarHBondContact CA-O 3.23Å; V221-T236 HydrophobicContact CG2-CG2 4.45Å; V221-L252 HydrophobicContact CG2-CD1 3.58Å; V221-L252 HydrophobicContact CG2-CD2 3.84Å; V221-L252 HydrophobicContact CG2-CG 3.94Å; V221-V256 HydrophobicContact CG1-CG2 4.4Å; V221-V256 HydrophobicContact CG2-CG2 4.23Å
222	W	94.9	Very high	82.5	Confident	69 Å²	69	53.9 Å²	53.9	26%	0.261	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.1	-178.7	-68.1	72	0	0	0	110.4	F151 L152 F208 T218 V219 I234 D235	F151-W222 CarbonylContact O-C 3.52Å; F151-W222 VanDerWaalsContact O-CA 3.31Å; F151-W222 WeakPolarHBondContact O-CA 3.05Å; L152-W222 HydrophobicContact CB-CD2 4.36Å; L152-W222 HydrophobicContact CB-CE3 4.4Å; L152-W222 HydrophobicContact CB-CH2 4.06Å; L152-W222 HydrophobicContact CB-CZ2 4.03Å; L152-W222 HydrophobicContact CB-CZ3 4.25Å; L152-W222 HydrophobicContact CD1-CD2 4.23Å; L152-W222 HydrophobicContact CD1-CG 4.45Å; L152-W222 HydrophobicContact CD1-CZ2 3.9Å; L152-W222 HydrophobicContact CG-CZ2 4.48Å; F208-W222 HydrophobicContact CD1-CB 3.92Å; F208-W222 HydrophobicContact CE1-CB 3.88Å; T218-W222 HydrophobicContact CG2-CG 4.5Å; V219-W222 PolarHBondContact O-NE1 2.75Å; W222-I234 CarbonylContact O-C 3.55Å; W222-I234 WeakPolarHBondContact O-CA 3.49Å; W222-D235 HydrophobicContact CB-CB 4.35Å; W222-D235 PolarHBondContact N-O 3.5Å; W222-D235 PolarHBondContact O-N 2.89Å
223	A	97.4	Very high	84.1	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.8	177.7	0	0	0	0	0	111.5	S150 F151 L153 V233	S150-A223 CarbonylContact C-O 3.56Å; S150-A223 VanDerWaalsContact CA-O 3.24Å; S150-A223 WeakPolarHBondContact CA-O 2.99Å; F151-A223 HydrophobicContact CD1-CB 4.4Å; F151-A223 VanDerWaalsContact CD1-O 3.29Å; F151-A223 WeakPolarHBondContact CD1-O 3.41Å; F151-A223 HydrophobicContact CE1-CB 3.76Å; F151-A223 HydrophobicContact CE2-CB 4.46Å; F151-A223 HydrophobicContact CZ-CB 3.8Å; F151-A223 PolarHBondContact N-O 3.38Å; F151-A223 PolarHBondContact O-N 3.27Å; L153-A223 HydrophobicContact CB-CB 4.22Å; L153-A223 HydrophobicContact CD2-CB 4.12Å; A223-V233 CarbonylContact C-O 3.59Å; A223-V233 VanDerWaalsContact CA-O 3.29Å; A223-V233 WeakPolarHBondContact CA-O 3.44Å
224	A	97.9	Very high	85.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.7	172.3	0	0	0	0	0	110	V148 F202 V207 F208 V233	V148-A224 HydrophobicContact CG1-CB 4.21Å; F202-A224 HydrophobicContact CE2-CB 4.25Å; F202-A224 HydrophobicContact CZ-CB 3.85Å; V207-A224 HydrophobicContact CG1-CB 3.68Å; F208-A224 HydrophobicContact CE1-CB 4.07Å; F208-A224 HydrophobicContact CE2-CB 4.25Å; F208-A224 HydrophobicContact CZ-CB 3.63Å; A224-V233 PolarHBondContact N-O 3.4Å; A224-V233 PolarHBondContact O-N 3.37Å
225	Y	97.6	Very high	87.7	Confident	25 Å²	25	34.9 Å²	34.9	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127	175.7	175.5	-129.8	0	0	0	111.3	V148 L172 D173 C174 L180 P227 V231	V148-Y225 WeakPolarHBondContact CG1-O 3.31Å; V148-Y225 WeakPolarHBondContact CG2-O 3.43Å; L172-Y225 WeakPolarHBondContact O-CB 2.96Å; D173-Y225 WeakPolarHBondContact O-CD1 3.47Å; C174-Y225 HydrophobicContact CB-CD1 3.89Å; C174-Y225 HydrophobicContact CB-CD2 4.28Å; C174-Y225 HydrophobicContact CB-CE1 4Å; C174-Y225 HydrophobicContact CB-CE2 4.39Å; C174-Y225 HydrophobicContact CB-CG 4.05Å; L180-Y225 HydrophobicContact CD2-CD2 3.95Å; L180-Y225 HydrophobicContact CD2-CE2 3.37Å; Y225-P227 HydrophobicContact CD1-CB 4.44Å; Y225-P227 HydrophobicContact CE1-CB 3.84Å; Y225-P227 WeakPolarHBondContact O-CD 3.2Å; Y225-V231 WeakPolarHBondContact CD2-O 3.34Å
226	D	96.3	Very high	89.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	108.9	167.5	171.6	21.5	0	0	0	110.8	F201 F202 V228 H229 K230 V231 V233	F201-D226 HydrophobicContact CB-CB 4.41Å; F201-D226 HydrophobicContact CD1-CB 4.37Å; F201-D226 WeakPolarHBondContact CD1-OD2 3.33Å; F202-D226 HydrophobicContact CE1-CB 3.92Å; F202-D226 HydrophobicContact CZ-CB 4.34Å; D226-V228 VanDerWaalsContact C-N 3.28Å; D226-V228 PolarHBondContact O-N 3.07Å; D226-V228 WeakPolarHBondContact OD1-CB 3.39Å; D226-V228 PolarHBondContact OD1-N 3.4Å; D226-H229 WeakPolarHBondContact OD2-CB 3.42Å; D226-H229 IonicContact OD2-CE1 2.77Å; D226-H229 IonicContact OD2-CG 2.7Å; D226-H229 PolarHBondContact OD2-N 3.12Å; D226-H229 IonicContact OD2-ND1 3.39Å; D226-H229 PolarHBondContact OD2-ND1 3.48Å; D226-K230 VanDerWaalsContact O-CA 3.24Å; D226-K230 WeakPolarHBondContact O-CA 3.21Å; D226-K230 PolarHBondContact O-N 2.87Å; D226-V231 HydrophobicContact CB-CG2 3.77Å; D226-V231 PolarHBondContact N-O 3.24Å; D226-V231 PolarHBondContact O-N 2.71Å; D226-V231 VanDerWaalsContact O-N 3.16Å; D226-V233 HydrophobicContact CB-CG2 4.05Å
227	P	93.3	Very high	90.9	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.5	-179.7	30.6	-35.8	0	0	0	113.9	M144 T145 V148 Y225	M144-P227 HydrophobicContact CB-CG 4.16Å; M144-P227 HydrophobicContact CE-CB 4.05Å; M144-P227 WeakPolarHBondContact CE-O 3.38Å; M144-P227 WeakPolarHBondContact O-CG 3.43Å; T145-P227 HydrophobicContact CG2-CG 4.42Å; V148-P227 HydrophobicContact CG2-CG 4.23Å; Y225-P227 HydrophobicContact CD1-CB 4.44Å; Y225-P227 HydrophobicContact CE1-CB 3.84Å; Y225-P227 WeakPolarHBondContact O-CD 3.2Å
228	V	91.9	Very high	91.2	Very high	34 Å²	34	22 Å²	22	21%	0.206	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-53	-179.8	178.5	0	0	0	0	109.8	R141 M144 T145 Y203 D226	R141-V228 HydrophobicContact CB-CG2 4.03Å; R141-V228 HydrophobicContact CG-CG1 4.04Å; R141-V228 HydrophobicContact CG-CG2 4.25Å; M144-V228 HydrophobicContact CB-CG2 4.41Å; T145-V228 HydrophobicContact CG2-CG2 3.96Å; Y203-V228 HydrophobicContact CE2-CG2 4.31Å; D226-V228 VanDerWaalsContact C-N 3.28Å; D226-V228 PolarHBondContact O-N 3.07Å; D226-V228 WeakPolarHBondContact OD1-CB 3.39Å; D226-V228 PolarHBondContact OD1-N 3.4Å
229	H	91.8	Very high	91	Very high	47 Å²	47	21.4 Å²	21.4	22%	0.218	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-3.9	-179.2	-51.6	94.3	0	0	0	113.1	D226 V231 E379 L382	D226-H229 WeakPolarHBondContact OD2-CB 3.42Å; D226-H229 IonicContact OD2-CE1 2.77Å; D226-H229 IonicContact OD2-CG 2.7Å; D226-H229 PolarHBondContact OD2-N 3.12Å; D226-H229 IonicContact OD2-ND1 3.39Å; D226-H229 PolarHBondContact OD2-ND1 3.48Å; H229-V231 HydrophobicContact CB-CG1 4.14Å; H229-V231 HydrophobicContact CB-CG2 4.15Å; H229-E379 IonicContact NE2-OE1 3.59Å; H229-L382 HydrophobicContact CB-CD1 4.35Å
230	K	93.9	Very high	89.9	Confident	113 Å²	113	21.2 Å²	21.2	49%	0.491	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	51.2	-176.7	-60.9	166.6	171.8	-178.2	0	111.4	Q178 L180 K181 D226	Q178-K230 VanDerWaalsContact NE2-CD 3.31Å; L180-K230 WeakPolarHBondContact CA-O 3.43Å; L180-K230 HydrophobicContact CD2-CB 4.49Å; L180-K230 WeakPolarHBondContact CD2-O 3.31Å; K181-K230 PolarHBondContact N-O 2.8Å; D226-K230 VanDerWaalsContact O-CA 3.24Å; D226-K230 WeakPolarHBondContact O-CA 3.21Å; D226-K230 PolarHBondContact O-N 2.87Å
231	V	96.4	Very high	88.3	Confident	2 Å²	2	22 Å²	22	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.4	-177.3	-60.5	0	0	0	0	112	K181 V183 F201 Y225 D226 H229 V233 L382	K181-V231 HydrophobicContact CB-CG1 4.13Å; K181-V231 CarbonylContact O-C 3.56Å; K181-V231 VanDerWaalsContact O-CA 3.23Å; K181-V231 WeakPolarHBondContact O-CA 3.34Å; V183-V231 HydrophobicContact CG2-CB 4.35Å; V183-V231 HydrophobicContact CG2-CG1 4.42Å; V183-V231 HydrophobicContact CG2-CG2 4.49Å; F201-V231 HydrophobicContact CD1-CG2 4.07Å; F201-V231 HydrophobicContact CE1-CG2 3.91Å; Y225-V231 WeakPolarHBondContact CD2-O 3.34Å; D226-V231 HydrophobicContact CB-CG2 3.77Å; D226-V231 PolarHBondContact N-O 3.24Å; D226-V231 PolarHBondContact O-N 2.71Å; D226-V231 VanDerWaalsContact O-N 3.16Å; H229-V231 HydrophobicContact CB-CG1 4.14Å; H229-V231 HydrophobicContact CB-CG2 4.15Å; V231-V233 HydrophobicContact CG2-CG2 3.84Å; V231-L382 HydrophobicContact CG1-CD1 3.89Å; V231-L382 HydrophobicContact CG1-CD2 3.91Å
232	A	97.7	Very high	86.1	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.033	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.8	163	0	0	0	0	0	108.1	L172 K181 V182 V183	L172-A232 HydrophobicContact CD1-CB 4.43Å; L172-A232 HydrophobicContact CD2-CB 4.28Å; K181-A232 PolarHBondContact O-N 3.01Å; V182-A232 WeakPolarHBondContact CA-O 3.45Å; V182-A232 HydrophobicContact CG2-CB 4.4Å; V183-A232 PolarHBondContact N-O 3.19Å
233	V	98.1	Very high	83.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	128	178.9	-172.6	0	0	0	0	108.5	V183 L197 F201 F202 F208 A223 A224 D226 V231	V183-V233 CarbonylContact O-C 3.55Å; V183-V233 WeakPolarHBondContact O-CA 3.5Å; L197-V233 HydrophobicContact CB-CG1 4.36Å; L197-V233 HydrophobicContact CD1-CG1 3.87Å; L197-V233 HydrophobicContact CD2-CG1 3.67Å; L197-V233 HydrophobicContact CG-CG1 4.18Å; F201-V233 HydrophobicContact CB-CG2 4.23Å; F201-V233 HydrophobicContact CD1-CG2 3.97Å; F201-V233 HydrophobicContact CD2-CG1 3.94Å; F201-V233 HydrophobicContact CD2-CG2 4.06Å; F201-V233 HydrophobicContact CE1-CG2 4.37Å; F201-V233 HydrophobicContact CE2-CG1 4.19Å; F201-V233 HydrophobicContact CE2-CG2 4.45Å; F201-V233 HydrophobicContact CG-CG1 4.48Å; F201-V233 HydrophobicContact CG-CG2 3.81Å; F202-V233 HydrophobicContact CZ-CB 4.38Å; F202-V233 HydrophobicContact CZ-CG2 4.1Å; F208-V233 HydrophobicContact CE2-CB 4.28Å; F208-V233 HydrophobicContact CE2-CG1 3.76Å; F208-V233 HydrophobicContact CZ-CB 4.23Å; F208-V233 HydrophobicContact CZ-CG1 4.03Å; A223-V233 CarbonylContact C-O 3.59Å; A223-V233 VanDerWaalsContact CA-O 3.29Å; A223-V233 WeakPolarHBondContact CA-O 3.44Å; A224-V233 PolarHBondContact N-O 3.4Å; A224-V233 PolarHBondContact O-N 3.37Å; D226-V233 HydrophobicContact CB-CG2 4.05Å; V231-V233 HydrophobicContact CG2-CG2 3.84Å
234	I	97	Very high	81.8	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.5	-177.3	-60.6	-174.5	0	0	0	109.5	V182 V183 S184 I185 V221 W222 T236 V256 I259	V182-I234 HydrophobicContact CG1-CD1 3.38Å; V182-I234 HydrophobicContact CG1-CG1 3.98Å; V183-I234 PolarHBondContact O-N 2.86Å; S184-I234 WeakPolarHBondContact CA-O 3.44Å; I185-I234 PolarHBondContact N-O 3.25Å; I185-I234 VanDerWaalsContact N-O 3.15Å; V221-I234 HydrophobicContact CG1-CG2 3.31Å; W222-I234 CarbonylContact O-C 3.55Å; W222-I234 WeakPolarHBondContact O-CA 3.49Å; I234-T236 HydrophobicContact CG2-CG2 4.13Å; I234-V256 HydrophobicContact CG2-CG1 4.26Å; I234-I259 HydrophobicContact CD1-CD1 3.5Å; I234-I259 VanDerWaalsContact CD1-CD1 3.5Å; I234-I259 HydrophobicContact CD1-CG1 4.27Å
235	D	95.3	Very high	80.3	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.7	169.7	-167.9	33	0	0	0	109.4	I185 S194 L197 F208 T218 V221 W222	I185-D235 WeakPolarHBondContact CG2-OD1 3.45Å; S194-D235 WeakPolarHBondContact CB-OD2 3.35Å; S194-D235 PolarHBondContact OG-OD2 2.81Å; L197-D235 HydrophobicContact CD1-CB 3.57Å; F208-D235 HydrophobicContact CD1-CB 3.56Å; F208-D235 HydrophobicContact CD2-CB 4.31Å; F208-D235 HydrophobicContact CE1-CB 3.66Å; F208-D235 HydrophobicContact CE2-CB 4.36Å; F208-D235 HydrophobicContact CG-CB 3.91Å; F208-D235 HydrophobicContact CZ-CB 4.07Å; T218-D235 PolarHBondContact OG1-OD2 3.03Å; V221-D235 WeakPolarHBondContact CA-O 3.23Å; W222-D235 HydrophobicContact CB-CB 4.35Å; W222-D235 PolarHBondContact N-O 3.5Å; W222-D235 PolarHBondContact O-N 2.89Å
236	T	90.4	Very high	78.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152.1	-179.9	79.3	0	0	0	0	111.1	I185 F186 K193 V221 I234 V256	I185-T236 WeakPolarHBondContact O-CG2 3.24Å; I185-T236 PolarHBondContact O-OG1 2.84Å; F186-T236 HydrophobicContact CD1-CG2 3.96Å; F186-T236 WeakPolarHBondContact CD1-OG1 3.44Å; F186-T236 HydrophobicContact CE1-CG2 3.72Å; K193-T236 WeakPolarHBondContact CE-O 3.49Å; V221-T236 HydrophobicContact CG2-CG2 4.45Å; I234-T236 HydrophobicContact CG2-CG2 4.13Å; T236-V256 HydrophobicContact CG2-CG1 4.12Å; T236-V256 HydrophobicContact CG2-CG2 4.34Å
237	E	84.7	Confident	77.8	Confident	37 Å²	37	44.5 Å²	44.5	17%	0.173	26%	0.262	C	S	.	.			trans	-51.6	153.4	162.3	-179.8	166.5	166.9	0	0	111.9	T218 G220 L239 T243	T218-E237 WeakPolarHBondContact O-CA 3.12Å; T218-E237 WeakPolarHBondContact O-CB 3.18Å; T218-E237 VanDerWaalsContact O-CG 3.28Å; T218-E237 WeakPolarHBondContact O-CG 3.39Å; G220-E237 PolarHBondContact N-OE2 3.38Å; G220-E237 WeakPolarHBondContact O-CB 3.43Å; G220-E237 PolarHBondContact O-N 3.2Å; E237-L239 PolarHBondContact O-N 3.4Å; E237-T243 WeakPolarHBondContact OE1-CG2 3.35Å
238	G	75.6	Confident	76.9	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.021	27%	0.265	C	S	.	.			trans	-65.5	101.1	175.7	0	0	0	0	0	111.8	T189 K193 L240 G241	T189-G238 PolarHBondContact OG1-O 3.28Å; K193-G238 VanDerWaalsContact NZ-CA 3.33Å; G238-L240 PolarHBondContact O-N 3.38Å; G238-L240 VanDerWaalsContact O-N 3.11Å; G238-G241 PolarHBondContact O-N 2.95Å
239	L	64.4	Low	76.1	Confident	12 Å²	12	46.4 Å²	46.4	6%	0.063	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.5	-172.2	-67.3	177.3	0	0	0	114.9	F186 E237 R249 L252 L253 F279	F186-L239 HydrophobicContact CB-CD1 4.4Å; F186-L239 HydrophobicContact CD1-CD1 3.2Å; F186-L239 HydrophobicContact CD1-CG 4.23Å; F186-L239 HydrophobicContact CE1-CD1 3.56Å; F186-L239 HydrophobicContact CG-CD1 3.96Å; E237-L239 PolarHBondContact O-N 3.4Å; L239-R249 WeakPolarHBondContact O-CD 3.28Å; L239-R249 PolarHBondContact O-NH1 2.91Å; L239-L252 HydrophobicContact CD2-CD2 4.36Å; L239-L253 HydrophobicContact CD1-CB 4.29Å; L239-L253 HydrophobicContact CD1-CD1 3.75Å; L239-F279 HydrophobicContact CB-CE2 4.17Å; L239-F279 HydrophobicContact CB-CZ 4.37Å; L239-F279 HydrophobicContact CD1-CE2 4.38Å; L239-F279 HydrophobicContact CD1-CZ 3.92Å
240	L	56.2	Low	75.5	Confident	65 Å²	65	46.1 Å²	46.1	34%	0.34	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-0.5	-178.3	-72.8	163.5	0	0	0	113.1	N188 G238 R249 Y265 F279	N188-L240 WeakPolarHBondContact OD1-CB 3.44Å; N188-L240 WeakPolarHBondContact OD1-CD1 3.46Å; N188-L240 WeakPolarHBondContact OD1-CG 3.36Å; G238-L240 PolarHBondContact O-N 3.38Å; G238-L240 VanDerWaalsContact O-N 3.11Å; L240-R249 VanDerWaalsContact C-NH1 3.34Å; L240-Y265 WeakPolarHBondContact CD1-OH 3.3Å; L240-F279 HydrophobicContact CD1-CB 4.36Å; L240-F279 HydrophobicContact CD1-CD2 4.08Å; L240-F279 HydrophobicContact CD1-CG 4.17Å; L240-F279 HydrophobicContact CD2-CD2 3.82Å; L240-F279 HydrophobicContact CD2-CG 4.46Å; L240-F279 HydrophobicContact CG-CD2 4.04Å; L240-F279 HydrophobicContact CG-CE2 4.41Å
241	G	51.7	Low	74.9	Confident	18 Å²	18	42 Å²	42	19%	0.186	25%	0.247	C	C	.	.	S	Bend	trans	-120.6	144.3	179.7	0	0	0	0	0	115.6	T189 G238 T243 R249	T189-G241 WeakPolarHBondContact OG1-CA 3.36Å; G238-G241 PolarHBondContact O-N 2.95Å; G241-T243 PolarHBondContact O-N 3.32Å; G241-R249 VanDerWaalsContact C-NH2 3.25Å; G241-R249 PolarHBondContact O-NH2 3Å; G241-R249 VanDerWaalsContact O-NH2 3.14Å
242	A	45.1	Very low	74.3	Confident	103 Å²	103	42.7 Å²	42.7	85%	0.851	25%	0.251	S	S	*	.	S	Bend	trans	43.2	-4.9	161.3	0	0	0	0	0	124.5
243	T	49.1	Very low	73.7	Confident	38 Å²	38	43 Å²	43	23%	0.233	25%	0.252	C	S	.	.			trans	-74.1	132.8	168.2	39.2	0	0	0	0	111.4	E237 G241 N245 R249	E237-T243 WeakPolarHBondContact OE1-CG2 3.35Å; G241-T243 PolarHBondContact O-N 3.32Å; T243-N245 PolarHBondContact O-N 3.44Å; T243-R249 PolarHBondContact O-NE 3.34Å; T243-R249 PolarHBondContact O-NH2 3.49Å; T243-R249 WeakPolarHBondContact OG1-CG 3.26Å; T243-R249 PolarHBondContact OG1-NE 2.9Å; T243-R249 PolarHBondContact OG1-NH2 3.36Å
244	V	53.4	Low	73.2	Confident	155 Å²	155	43.1 Å²	43.1	94%	0.939	25%	0.253	S	S	*	.	S	Bend	trans	-71.3	-12.8	-167.6	-169.2	0	0	0	0	112.9
245	N	67.4	Low	72.7	Confident	75 Å²	75	43.1 Å²	43.1	40%	0.401	25%	0.253	S	S	.	.			trans	-125.2	112	-172	-163	-24	0	0	0	113.4	T243 S247 Q248 R249	T243-N245 PolarHBondContact O-N 3.44Å; N245-S247 VanDerWaalsContact C-N 3.3Å; N245-S247 PolarHBondContact O-N 2.85Å; N245-S247 WeakPolarHBondContact OD1-CB 3.39Å; N245-S247 PolarHBondContact OD1-N 3.28Å; N245-S247 VanDerWaalsContact OD1-N 3.14Å; N245-Q248 HydrophobicContact CB-CB 3.96Å; N245-Q248 WeakPolarHBondContact O-CB 3.39Å; N245-Q248 PolarHBondContact O-N 2.95Å; N245-R249 PolarHBondContact O-N 3.05Å
246	L	67.7	Low	72.4	Confident	137 Å²	137	43.2 Å²	43.2	72%	0.717	25%	0.254	S	S	*	.	H	α-helix	trans	-65.1	-32.3	-179.4	-157.3	119.3	0	0	0	112.8	Q248 T250	L246-Q248 VanDerWaalsContact C-N 3.34Å; L246-T250 PolarHBondContact O-N 2.8Å; L246-T250 PolarHBondContact O-OG1 3.41Å
247	S	73.6	Confident	72.4	Confident	61 Å²	61	43.3 Å²	43.3	43%	0.427	25%	0.254	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177	-55.7	0	0	0	0	111.2	N245 T250 R251	N245-S247 VanDerWaalsContact C-N 3.3Å; N245-S247 PolarHBondContact O-N 2.85Å; N245-S247 WeakPolarHBondContact OD1-CB 3.39Å; N245-S247 PolarHBondContact OD1-N 3.28Å; N245-S247 VanDerWaalsContact OD1-N 3.14Å; S247-T250 PolarHBondContact O-N 3.15Å; S247-R251 WeakPolarHBondContact O-CG 3.48Å; S247-R251 PolarHBondContact O-N 2.89Å
248	Q	72.9	Confident	72.5	Confident	47 Å²	47	41.5 Å²	41.5	22%	0.22	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-52	177.7	-164	-177.5	0.5	0	0	111.1	E156 E158 N245 L246 T250 R251 L252	E156-Q248 PolarHBondContact O-NE2 3.18Å; E158-Q248 HydrophobicContact CG-CG 3.62Å; E158-Q248 WeakPolarHBondContact OE1-CA 3.13Å; E158-Q248 WeakPolarHBondContact OE1-CG 3.04Å; N245-Q248 HydrophobicContact CB-CB 3.96Å; N245-Q248 WeakPolarHBondContact O-CB 3.39Å; N245-Q248 PolarHBondContact O-N 2.95Å; L246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-T250 PolarHBondContact O-N 3.49Å; Q248-T250 VanDerWaalsContact O-N 3.15Å; Q248-R251 PolarHBondContact O-N 3.09Å; Q248-R251 VanDerWaalsContact O-N 3.1Å; Q248-L252 PolarHBondContact O-N 3.48Å
249	R	75.8	Confident	73.2	Confident	52 Å²	52	41.5 Å²	41.5	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-53.9	-41.7	175.5	-63.9	176.6	-176.7	-158.6	9.9	112.9	L239 L240 G241 T243 N245 L253	L239-R249 WeakPolarHBondContact O-CD 3.28Å; L239-R249 PolarHBondContact O-NH1 2.91Å; L240-R249 VanDerWaalsContact C-NH1 3.34Å; G241-R249 VanDerWaalsContact C-NH2 3.25Å; G241-R249 PolarHBondContact O-NH2 3Å; G241-R249 VanDerWaalsContact O-NH2 3.14Å; T243-R249 PolarHBondContact O-NE 3.34Å; T243-R249 PolarHBondContact O-NH2 3.49Å; T243-R249 WeakPolarHBondContact OG1-CG 3.26Å; T243-R249 PolarHBondContact OG1-NE 2.9Å; T243-R249 PolarHBondContact OG1-NH2 3.36Å; N245-R249 PolarHBondContact O-N 3.05Å; R249-L253 WeakPolarHBondContact O-CB 3.21Å; R249-L253 PolarHBondContact O-N 3.35Å
250	T	78.4	Confident	74.6	Confident	41 Å²	41	41 Å²	41	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-66.8	-43.2	-179.4	-55.1	0	0	0	0	111.2	L246 S247 Q248 L253 L254 A286	L246-T250 PolarHBondContact O-N 2.8Å; L246-T250 PolarHBondContact O-OG1 3.41Å; S247-T250 PolarHBondContact O-N 3.15Å; Q248-T250 PolarHBondContact O-N 3.49Å; Q248-T250 VanDerWaalsContact O-N 3.15Å; T250-L253 PolarHBondContact O-N 3.25Å; T250-L254 HydrophobicContact CG2-CD1 4.18Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.5Å; T250-L254 PolarHBondContact O-N 2.93Å; T250-A286 HydrophobicContact CG2-CB 4.37Å
251	R	82.1	Confident	76.4	Confident	25 Å²	25	38.6 Å²	38.6	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-46.5	177.1	-69.2	-176	-48	-109.1	-2.8	111.6	E158 S247 Q248 L253 L254 K255 F407 G409 I411	E158-R251 VanDerWaalsContact CD-NH2 3.28Å; E158-R251 IonicContact OE1-CZ 2.93Å; E158-R251 IonicContact OE1-NE 2.77Å; E158-R251 PolarHBondContact OE1-NE 3.49Å; E158-R251 IonicContact OE1-NH2 3.21Å; E158-R251 PolarHBondContact OE1-NH2 3.32Å; E158-R251 IonicContact OE2-CZ 3.86Å; E158-R251 IonicContact OE2-NE 2.69Å; E158-R251 PolarHBondContact OE2-NE 3.25Å; E158-R251 IonicContact OE2-NH2 3.03Å; E158-R251 PolarHBondContact OE2-NH2 2.76Å; S247-R251 WeakPolarHBondContact O-CG 3.48Å; S247-R251 PolarHBondContact O-N 2.89Å; Q248-R251 PolarHBondContact O-N 3.09Å; Q248-R251 VanDerWaalsContact O-N 3.1Å; R251-L253 PolarHBondContact O-N 2.96Å; R251-L254 PolarHBondContact O-N 2.84Å; R251-K255 WeakPolarHBondContact O-CG 3.36Å; R251-K255 PolarHBondContact O-N 2.86Å; R251-F407 HydrophobicContact CB-CB 4.32Å; R251-F407 VanDerWaalsContact CD-O 3.32Å; R251-F407 WeakPolarHBondContact CD-O 3.22Å; R251-F407 HydrophobicContact CG-CB 4.32Å; R251-G409 WeakPolarHBondContact CD-O 3.21Å; R251-G409 VanDerWaalsContact CZ-O 3.28Å; R251-G409 PolarHBondContact NE-O 2.75Å; R251-G409 PolarHBondContact NH1-O 3.44Å; R251-I411 HydrophobicContact CG-CD1 3.78Å; R251-I411 HydrophobicContact CG-CG1 3.8Å
252	L	83.4	Confident	78.4	Confident	17 Å²	17	37.9 Å²	37.9	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-46	177	-170.8	62.8	0	0	0	112	V154 V221 L239 Q248 L254 K255 V256	V154-L252 HydrophobicContact CB-CD1 4.42Å; V154-L252 HydrophobicContact CG1-CD1 4.06Å; V221-L252 HydrophobicContact CG2-CD1 3.58Å; V221-L252 HydrophobicContact CG2-CD2 3.84Å; V221-L252 HydrophobicContact CG2-CG 3.94Å; L239-L252 HydrophobicContact CD2-CD2 4.36Å; Q248-L252 PolarHBondContact O-N 3.48Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.13Å; L252-K255 PolarHBondContact O-N 3.17Å; L252-V256 WeakPolarHBondContact O-CG2 3.17Å; L252-V256 PolarHBondContact O-N 3.37Å
253	L	85.8	Confident	80.9	Confident	12 Å²	12	33 Å²	33	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-46.3	176.7	174.7	62.9	0	0	0	111.6	F186 L239 R249 T250 R251 V256 L257 F279 A283	F186-L253 HydrophobicContact CD1-CD1 4.34Å; F186-L253 HydrophobicContact CD2-CD1 4.28Å; F186-L253 HydrophobicContact CE1-CD1 3.85Å; F186-L253 HydrophobicContact CE2-CD1 3.87Å; F186-L253 HydrophobicContact CZ-CD1 3.61Å; L239-L253 HydrophobicContact CD1-CB 4.29Å; L239-L253 HydrophobicContact CD1-CD1 3.75Å; R249-L253 WeakPolarHBondContact O-CB 3.21Å; R249-L253 PolarHBondContact O-N 3.35Å; T250-L253 PolarHBondContact O-N 3.25Å; R251-L253 PolarHBondContact O-N 2.96Å; L253-V256 PolarHBondContact O-N 3.3Å; L253-L257 HydrophobicContact CD1-CD1 3.71Å; L253-L257 HydrophobicContact CD1-CG 3.83Å; L253-L257 HydrophobicContact CG-CD1 3.8Å; L253-L257 HydrophobicContact CG-CG 4.3Å; L253-L257 VanDerWaalsContact O-CB 3.26Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.2Å; L253-L257 PolarHBondContact O-N 3.32Å; L253-F279 HydrophobicContact CD1-CZ 4.02Å; L253-F279 HydrophobicContact CD2-CE2 4.16Å; L253-F279 HydrophobicContact CD2-CZ 4.08Å; L253-A283 HydrophobicContact CD2-CB 3.77Å
254	L	86.4	Confident	83.1	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-42.8	178.5	-69.1	172.3	0	0	0	112	T250 R251 L252 A258 A286 H290 F291 F407	T250-L254 HydrophobicContact CG2-CD1 4.18Å; T250-L254 VanDerWaalsContact O-CG 3.24Å; T250-L254 WeakPolarHBondContact O-CG 3.5Å; T250-L254 PolarHBondContact O-N 2.93Å; R251-L254 PolarHBondContact O-N 2.84Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.13Å; L254-A258 WeakPolarHBondContact O-CB 3.35Å; L254-A258 PolarHBondContact O-N 2.74Å; L254-A286 HydrophobicContact CD2-CB 4.1Å; L254-H290 HydrophobicContact CD1-CB 4.44Å; L254-H290 VanDerWaalsContact CD1-CD2 3.5Å; L254-H290 WeakPolarHBondContact CD1-CD2 3.3Å; L254-F291 HydrophobicContact CB-CE2 4.08Å; L254-F291 HydrophobicContact CB-CZ 4.29Å; L254-F291 HydrophobicContact CD2-CE2 3.88Å; L254-F291 HydrophobicContact CG-CE2 4.49Å; L254-F407 HydrophobicContact CD1-CD1 4.47Å; L254-F407 HydrophobicContact CD1-CE1 3.94Å; L254-F407 HydrophobicContact CD1-CZ 4.34Å
255	K	87.2	Confident	85.1	Confident	4 Å²	4	24 Å²	24	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-49.6	175.9	-69.7	174.3	-170.1	-170.6	0	110.6	E158 R251 L252 I259 L403 S404 F407	E158-K255 PolarHBondContact O-NZ 2.84Å; R251-K255 WeakPolarHBondContact O-CG 3.36Å; R251-K255 PolarHBondContact O-N 2.86Å; L252-K255 PolarHBondContact O-N 3.17Å; K255-I259 PolarHBondContact O-N 2.91Å; K255-L403 HydrophobicContact CG-CB 4.25Å; K255-S404 PolarHBondContact NZ-OG 3.49Å; K255-F407 WeakPolarHBondContact CE-O 3.42Å; K255-F407 HydrophobicContact CG-CB 4.44Å; K255-F407 PolarHBondContact NZ-O 2.89Å
256	V	89.9	Confident	86.4	Confident	5 Å²	5	20.8 Å²	20.8	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-45.1	-178.6	178.5	0	0	0	0	111.8	S184 F186 V221 I234 T236 L252 L253 A258 I259 S260	S184-V256 VanDerWaalsContact CB-CG1 3.49Å; F186-V256 HydrophobicContact CE1-CB 4.17Å; F186-V256 HydrophobicContact CE1-CG1 3.87Å; F186-V256 HydrophobicContact CZ-CB 3.92Å; F186-V256 HydrophobicContact CZ-CG1 3.55Å; V221-V256 HydrophobicContact CG1-CG2 4.4Å; V221-V256 HydrophobicContact CG2-CG2 4.23Å; I234-V256 HydrophobicContact CG2-CG1 4.26Å; T236-V256 HydrophobicContact CG2-CG1 4.12Å; T236-V256 HydrophobicContact CG2-CG2 4.34Å; L252-V256 WeakPolarHBondContact O-CG2 3.17Å; L252-V256 PolarHBondContact O-N 3.37Å; L253-V256 PolarHBondContact O-N 3.3Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 3.17Å; V256-I259 VanDerWaalsContact O-CG1 3.32Å; V256-I259 WeakPolarHBondContact O-CG1 3.41Å; V256-I259 PolarHBondContact O-N 3.37Å; V256-S260 WeakPolarHBondContact O-CB 3.29Å; V256-S260 PolarHBondContact O-N 3.4Å; V256-S260 PolarHBondContact O-OG 3.19Å
257	L	89.8	Confident	87.5	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-42	177.2	-79.8	177.5	0	0	0	112.1	F186 L253 I259 S260 V263 A283 Y287 P313 F354	F186-L257 HydrophobicContact CE2-CD2 3.61Å; F186-L257 HydrophobicContact CE2-CG 4.05Å; F186-L257 HydrophobicContact CZ-CD2 4.2Å; F186-L257 HydrophobicContact CZ-CG 4.18Å; L253-L257 HydrophobicContact CD1-CD1 3.71Å; L253-L257 HydrophobicContact CD1-CG 3.83Å; L253-L257 HydrophobicContact CG-CD1 3.8Å; L253-L257 HydrophobicContact CG-CG 4.3Å; L253-L257 VanDerWaalsContact O-CB 3.26Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.2Å; L253-L257 PolarHBondContact O-N 3.32Å; L257-I259 VanDerWaalsContact C-N 3.32Å; L257-I259 PolarHBondContact O-N 2.78Å; L257-S260 PolarHBondContact O-N 3.26Å; L257-V263 HydrophobicContact CD2-CG2 3.79Å; L257-A283 HydrophobicContact CD1-CB 4.22Å; L257-Y287 HydrophobicContact CB-CD2 4.05Å; L257-Y287 HydrophobicContact CB-CE2 4.29Å; L257-P313 HydrophobicContact CD2-CG 3.95Å; L257-F354 HydrophobicContact CD1-CE1 4.4Å; L257-F354 HydrophobicContact CD2-CE1 3.88Å
258	A	86	Confident	88.2	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-39.8	179.9	0	0	0	0	0	112	L254 V256 Y287 F291 R388 L403 F422 Y426	L254-A258 WeakPolarHBondContact O-CB 3.35Å; L254-A258 PolarHBondContact O-N 2.74Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 3.17Å; A258-Y287 HydrophobicContact CB-CE2 4.38Å; A258-F291 HydrophobicContact CB-CE1 4.22Å; A258-F291 HydrophobicContact CB-CE2 4.2Å; A258-F291 HydrophobicContact CB-CZ 3.76Å; A258-R388 PolarHBondContact O-NH1 3.06Å; A258-L403 HydrophobicContact CB-CD1 3.48Å; A258-L403 VanDerWaalsContact CB-CD1 3.48Å; A258-L403 HydrophobicContact CB-CD2 3.89Å; A258-L403 HydrophobicContact CB-CG 4.35Å; A258-F422 HydrophobicContact CB-CE1 4.08Å; A258-F422 HydrophobicContact CB-CZ 3.84Å; A258-Y426 PolarHBondContact O-OH 3Å
259	I	90.4	Very high	88.8	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-85.3	-16.8	179.7	65.6	167.3	0	0	0	114.6	V182 I234 K255 V256 L257 A399 L400 L403 Y426	V182-I259 WeakPolarHBondContact CB-O 3.35Å; V182-I259 HydrophobicContact CG1-CG1 4.46Å; V182-I259 WeakPolarHBondContact CG2-O 3.37Å; I234-I259 HydrophobicContact CD1-CD1 3.5Å; I234-I259 VanDerWaalsContact CD1-CD1 3.5Å; I234-I259 HydrophobicContact CD1-CG1 4.27Å; K255-I259 PolarHBondContact O-N 2.91Å; V256-I259 VanDerWaalsContact O-CG1 3.32Å; V256-I259 WeakPolarHBondContact O-CG1 3.41Å; V256-I259 PolarHBondContact O-N 3.37Å; L257-I259 VanDerWaalsContact C-N 3.32Å; L257-I259 PolarHBondContact O-N 2.78Å; I259-A399 HydrophobicContact CG2-CB 4.31Å; I259-L400 HydrophobicContact CD1-CD1 4.23Å; I259-L400 HydrophobicContact CG2-CB 4.31Å; I259-L403 HydrophobicContact CG2-CD1 3.62Å; I259-Y426 WeakPolarHBondContact CA-OH 3.47Å; I259-Y426 PolarHBondContact O-OH 3.39Å
260	S	93.6	Very high	89.2	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.			trans	-77.8	140.1	-173.8	-63.1	0	0	0	0	112.7	S184 V256 L257 P313 R388	S184-S260 WeakPolarHBondContact CB-OG 3.47Å; S184-S260 WeakPolarHBondContact OG-CB 3.25Å; S184-S260 PolarHBondContact OG-OG 3.2Å; V256-S260 WeakPolarHBondContact O-CB 3.29Å; V256-S260 PolarHBondContact O-N 3.4Å; V256-S260 PolarHBondContact O-OG 3.19Å; L257-S260 PolarHBondContact O-N 3.26Å; S260-P313 WeakPolarHBondContact O-CB 3.28Å; S260-R388 PolarHBondContact O-NH1 3.15Å
261	D	94.1	Very high	89.5	Confident	15 Å²	15	22.6 Å²	22.6	8%	0.08	10%	0.104	C	C	.	.	S	Bend	trans	-89	-35	167.3	-63.9	-62.3	0	0	0	111	K181 V182 P313 A314 R388 R391	K181-D261 VanDerWaalsContact CA-OD2 3.22Å; K181-D261 WeakPolarHBondContact CA-OD2 3.44Å; K181-D261 HydrophobicContact CB-CB 4.24Å; K181-D261 WeakPolarHBondContact CB-OD2 3.49Å; K181-D261 HydrophobicContact CD-CB 4.29Å; K181-D261 HydrophobicContact CG-CB 4.33Å; V182-D261 PolarHBondContact N-OD2 2.77Å; V182-D261 WeakPolarHBondContact O-CB 3.31Å; V182-D261 PolarHBondContact O-N 2.92Å; D261-P313 WeakPolarHBondContact O-CA 3.45Å; D261-A314 PolarHBondContact O-N 3.45Å; D261-A314 VanDerWaalsContact O-N 3.12Å; D261-R388 WeakPolarHBondContact OD1-CB 3.4Å; D261-R388 WeakPolarHBondContact OD1-CD 3.45Å; D261-R391 IonicContact OD1-CZ 3.62Å; D261-R391 IonicContact OD1-NH1 3.35Å; D261-R391 IonicContact OD1-NH2 3.49Å; D261-R391 PolarHBondContact OD1-NH2 2.87Å; D261-R391 IonicContact OD2-CZ 3.79Å; D261-R391 IonicContact OD2-NH2 3.96Å; D261-R391 PolarHBondContact OD2-NH2 3.39Å
262	L	95.4	Very high	89.8	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.016	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.6	-178	-179.7	57.5	0	0	0	109.8	V182 V183 S184 A314 I316 L378 L381 L382	V182-L262 PolarHBondContact O-N 2.84Å; V183-L262 VanDerWaalsContact CA-O 3.31Å; V183-L262 WeakPolarHBondContact CA-O 3.04Å; V183-L262 HydrophobicContact CG2-CB 4.37Å; S184-L262 PolarHBondContact N-O 2.82Å; L262-A314 CarbonylContact C-O 3.58Å; L262-A314 WeakPolarHBondContact CA-O 3.4Å; L262-A314 HydrophobicContact CD1-CB 3.75Å; L262-A314 WeakPolarHBondContact CD1-O 3.23Å; L262-I316 HydrophobicContact CD1-CD1 4.15Å; L262-I316 HydrophobicContact CD1-CG1 4.1Å; L262-I316 HydrophobicContact CD2-CD1 4.3Å; L262-L378 HydrophobicContact CD2-CD2 3.34Å; L262-L378 HydrophobicContact CG-CD2 4.13Å; L262-L381 HydrophobicContact CD1-CB 4.25Å; L262-L381 HydrophobicContact CD1-CD1 3.74Å; L262-L381 HydrophobicContact CD2-CB 3.88Å; L262-L381 HydrophobicContact CD2-CD1 4.44Å; L262-L382 HydrophobicContact CD2-CD2 4.29Å; L262-L382 HydrophobicContact CD2-CG 4.21Å
263	V	95.8	Very high	89.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.2	-177.8	172	0	0	0	0	108.5	S184 F186 L257 P313 A314 V315 I316	S184-V263 CarbonylContact O-C 3.5Å; S184-V263 WeakPolarHBondContact O-CA 3.4Å; F186-V263 HydrophobicContact CD2-CG1 3.24Å; F186-V263 HydrophobicContact CE2-CB 4.43Å; F186-V263 HydrophobicContact CE2-CG1 3.48Å; F186-V263 VanDerWaalsContact CE2-CG1 3.48Å; F186-V263 HydrophobicContact CE2-CG2 4.04Å; F186-V263 HydrophobicContact CG-CG1 4.38Å; L257-V263 HydrophobicContact CD2-CG2 3.79Å; V263-P313 HydrophobicContact CG2-CB 3.75Å; V263-P313 HydrophobicContact CG2-CG 3.75Å; V263-A314 PolarHBondContact N-O 3Å; V263-V315 HydrophobicContact CB-CG2 4.26Å; V263-V315 CarbonylContact O-C 3.54Å; V263-V315 VanDerWaalsContact O-CA 3.28Å; V263-V315 WeakPolarHBondContact O-CA 3.27Å; V263-I316 PolarHBondContact O-N 2.98Å
264	I	97.1	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.3	170.7	-57.2	171.5	0	0	0	107.1	V183 S184 I185 F186 L197 F201 I316 F318 L378	V183-I264 HydrophobicContact CG1-CD1 4.01Å; V183-I264 HydrophobicContact CG1-CG1 4.21Å; S184-I264 PolarHBondContact O-N 3.23Å; I185-I264 CarbonylContact C-O 3.57Å; I185-I264 VanDerWaalsContact CA-O 3.25Å; I185-I264 WeakPolarHBondContact CA-O 3.4Å; I185-I264 HydrophobicContact CB-CB 4.32Å; I185-I264 HydrophobicContact CD1-CB 4.36Å; I185-I264 HydrophobicContact CD1-CG2 4.09Å; I185-I264 HydrophobicContact CG1-CB 3.99Å; I185-I264 HydrophobicContact CG1-CG2 4.08Å; I185-I264 WeakPolarHBondContact CG1-O 3.49Å; F186-I264 PolarHBondContact N-O 2.87Å; L197-I264 HydrophobicContact CD2-CD1 4.39Å; F201-I264 HydrophobicContact CE2-CD1 4.26Å; I264-I316 CarbonylContact C-O 3.59Å; I264-I316 WeakPolarHBondContact CA-O 3.35Å; I264-F318 HydrophobicContact CG2-CB 4.01Å; I264-L378 HydrophobicContact CD1-CD1 4.07Å; I264-L378 HydrophobicContact CD1-CD2 3.92Å; I264-L378 HydrophobicContact CG1-CD2 4.13Å
265	Y	95.3	Very high	89.9	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.2	165.5	-170.9	-83.5	0	0	0	108.8	F186 L240 L276 F279 L280 I316 I317 F318	F186-Y265 HydrophobicContact CB-CD2 4.27Å; F186-Y265 CarbonylContact O-C 3.47Å; L240-Y265 WeakPolarHBondContact CD1-OH 3.3Å; Y265-L276 HydrophobicContact CD1-CD1 3.57Å; Y265-L276 HydrophobicContact CD1-CG 3.9Å; Y265-L276 HydrophobicContact CE1-CB 4.02Å; Y265-L276 HydrophobicContact CE1-CD1 3.36Å; Y265-L276 HydrophobicContact CE1-CG 3.51Å; Y265-F279 AromaticContact CD2-CD1 3.95Å; Y265-F279 HydrophobicContact CD2-CD1 3.95Å; Y265-F279 AromaticContact CD2-CE1 3.92Å; Y265-F279 HydrophobicContact CD2-CE1 3.92Å; Y265-F279 AromaticContact CE2-CD1 3.35Å; Y265-F279 HydrophobicContact CE2-CD1 3.35Å; Y265-F279 AromaticContact CE2-CE1 3.61Å; Y265-F279 HydrophobicContact CE2-CE1 3.61Å; Y265-F279 HydrophobicContact CE2-CG 4.21Å; Y265-L280 HydrophobicContact CD2-CD2 4.04Å; Y265-L280 HydrophobicContact CD2-CG 4.42Å; Y265-I316 PolarHBondContact N-O 2.91Å; Y265-I317 CarbonylContact O-C 3.49Å; Y265-I317 WeakPolarHBondContact O-CA 3.31Å; Y265-F318 PolarHBondContact O-N 3.23Å
266	R	93.7	Very high	90	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.4	179.7	172.5	61.9	-173.4	-172.5	-7	110.1	I185 F186 G187 D191 K193 F318 E320	I185-R266 HydrophobicContact CD1-CB 3.99Å; I185-R266 HydrophobicContact CG1-CB 4.07Å; F186-R266 PolarHBondContact O-N 3.43Å; G187-R266 WeakPolarHBondContact CA-O 3.49Å; D191-R266 HydrophobicContact CB-CG 4.08Å; D191-R266 WeakPolarHBondContact O-CG 3.34Å; D191-R266 PolarHBondContact O-NE 3.16Å; D191-R266 PolarHBondContact O-NH2 3.25Å; K193-R266 HydrophobicContact CG-CB 4.33Å; K193-R266 HydrophobicContact CG-CG 4.44Å; R266-F318 VanDerWaalsContact NH1-CD1 3.32Å; R266-E320 IonicContact CZ-OE2 3.91Å; R266-E320 VanDerWaalsContact NH1-CB 3.32Å; R266-E320 IonicContact NH1-OE2 2.65Å; R266-E320 PolarHBondContact NH1-OE2 3.36Å; R266-E320 IonicContact NH2-OE2 3.16Å; R266-E320 PolarHBondContact NH2-OE2 3.2Å
267	T	91.6	Very high	90.1	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.1	171.3	-176.6	0	0	0	0	111.1	L272 L276 F318 H319 E320	T267-L272 HydrophobicContact CG2-CD2 3.93Å; T267-L276 HydrophobicContact CG2-CD1 4.27Å; T267-F318 PolarHBondContact N-O 2.79Å; T267-H319 HydrophobicContact CG2-CB 3.98Å; T267-E320 PolarHBondContact O-N 3.14Å
268	H	87.8	Confident	90	Very high	93 Å²	93	40.8 Å²	40.8	43%	0.431	19%	0.194	S	C	.	.			trans	-115.1	65.2	174.7	-173	-79.4	0	0	0	109.1	E320	H268-E320 IonicContact CD2-OE2 3.93Å
269	A	86	Confident	90.1	Very high	20 Å²	20	41.9 Å²	41.9	17%	0.165	20%	0.199	C	C	.	.	S	Bend	trans	-120	153.6	178.9	0	0	0	0	0	109.3	R271 H319	A269-R271 VanDerWaalsContact CB-O 3.32Å; A269-R271 WeakPolarHBondContact CB-O 3.47Å; A269-R271 PolarHBondContact O-N 3.09Å; A269-H319 PolarHBondContact O-CD2 2.94Å; A269-H319 PolarHBondContact O-NE2 3.11Å
270	D	84.2	Confident	90.1	Very high	75 Å²	75	41.9 Å²	41.9	40%	0.401	20%	0.199	S	C	.	.	S	Bend	trans	-66.2	-23.3	171.8	-84.5	-32.2	0	0	0	111.5	T324	D270-T324 HydrophobicContact CB-CG2 3.71Å; D270-T324 WeakPolarHBondContact O-CB 3.44Å; D270-T324 VanDerWaalsContact O-CG2 3.23Å; D270-T324 WeakPolarHBondContact O-CG2 3.37Å; D270-T324 PolarHBondContact O-OG1 3.23Å
271	R	85.1	Confident	90	Very high	179 Å²	179	42 Å²	42	68%	0.675	20%	0.201	S	C	*	.	S	Bend	trans	-143.2	153.8	178.5	-61.5	-177.4	-178.1	178.3	-0.2	110.6	A269 H273 T324	A269-R271 VanDerWaalsContact CB-O 3.32Å; A269-R271 WeakPolarHBondContact CB-O 3.47Å; A269-R271 PolarHBondContact O-N 3.09Å; R271-H273 PolarHBondContact O-CD2 3.31Å; R271-H273 PolarHBondContact O-N 2.65Å; R271-T324 HydrophobicContact CG-CG2 4.34Å
272	L	88.1	Confident	89.7	Confident	18 Å²	18	44.1 Å²	44.1	9%	0.094	21%	0.212	C	C	.	.			trans	-70.2	101.7	169.1	-60	-179.4	0	0	0	109.3	T267 L276 F277 I317 H319 L327 Y359	T267-L272 HydrophobicContact CG2-CD2 3.93Å; L272-L276 HydrophobicContact CD2-CD1 4.04Å; L272-F277 HydrophobicContact CB-CE2 4.11Å; L272-F277 HydrophobicContact CB-CZ 4.47Å; L272-I317 HydrophobicContact CD2-CG2 4.19Å; L272-H319 HydrophobicContact CD2-CB 4.04Å; L272-L327 HydrophobicContact CD1-CB 4.47Å; L272-L327 HydrophobicContact CD1-CD2 3.77Å; L272-Y359 HydrophobicContact CD1-CD2 4.36Å; L272-Y359 HydrophobicContact CD1-CE2 4.05Å
273	H	84.8	Confident	89.4	Confident	110 Å²	110	44.2 Å²	44.2	51%	0.509	21%	0.213	S	C	.	.			trans	-76.6	158.7	178	-68.9	-82.4	0	0	0	112.1	R271 D275 L276 F277	R271-H273 PolarHBondContact O-CD2 3.31Å; R271-H273 PolarHBondContact O-N 2.65Å; H273-D275 PolarHBondContact O-N 3.49Å; H273-D275 VanDerWaalsContact O-N 3.16Å; H273-L276 PolarHBondContact O-N 3.45Å; H273-F277 WeakPolarHBondContact O-CD2 3.5Å
274	N	87.6	Confident	89.1	Confident	91 Å²	91	44.2 Å²	44.2	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-59.7	-25.2	178.4	-71.5	-12.1	0	0	0	112.8	L276 F277 K278 L347	N274-L276 VanDerWaalsContact C-N 3.29Å; N274-L276 PolarHBondContact O-N 3.37Å; N274-F277 PolarHBondContact O-N 2.87Å; N274-F277 VanDerWaalsContact O-N 3.16Å; N274-K278 WeakPolarHBondContact O-CB 3.28Å; N274-K278 PolarHBondContact O-N 2.74Å; N274-L347 HydrophobicContact CB-CD1 4.45Å
275	D	84.2	Confident	88.6	Confident	109 Å²	109	49.7 Å²	49.7	58%	0.583	24%	0.239	S	C	*	.	H	α-helix	trans	-61.9	-34.8	-179.6	-60.7	-34.2	0	0	0	112.8	H273 K278 F279	H273-D275 PolarHBondContact O-N 3.49Å; H273-D275 VanDerWaalsContact O-N 3.16Å; D275-K278 PolarHBondContact O-N 2.81Å; D275-F279 VanDerWaalsContact O-CB 3.22Å; D275-F279 WeakPolarHBondContact O-CB 3.29Å; D275-F279 PolarHBondContact O-N 3.13Å
276	L	89.6	Confident	88.2	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-49.4	173.4	174.2	159.6	0	0	0	111	Y265 T267 L272 H273 N274 K278 F279 L280 I317	Y265-L276 HydrophobicContact CD1-CD1 3.57Å; Y265-L276 HydrophobicContact CD1-CG 3.9Å; Y265-L276 HydrophobicContact CE1-CB 4.02Å; Y265-L276 HydrophobicContact CE1-CD1 3.36Å; Y265-L276 HydrophobicContact CE1-CG 3.51Å; T267-L276 HydrophobicContact CG2-CD1 4.27Å; L272-L276 HydrophobicContact CD2-CD1 4.04Å; H273-L276 PolarHBondContact O-N 3.45Å; N274-L276 VanDerWaalsContact C-N 3.29Å; N274-L276 PolarHBondContact O-N 3.37Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-F279 PolarHBondContact O-N 3.23Å; L276-L280 HydrophobicContact CD2-CD1 3.82Å; L276-L280 HydrophobicContact CG-CD1 4.37Å; L276-L280 PolarHBondContact O-N 2.95Å; L276-I317 HydrophobicContact CD1-CG2 3.82Å; L276-I317 HydrophobicContact CD2-CD1 4Å
277	F	91.2	Very high	87.8	Confident	1 Å²	1	50 Å²	50	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-37.1	-177.7	-63.4	-86.8	0	0	0	111.3	L272 H273 N274 G281 I340 R343 F344 L347	L272-F277 HydrophobicContact CB-CE2 4.11Å; L272-F277 HydrophobicContact CB-CZ 4.47Å; H273-F277 WeakPolarHBondContact O-CD2 3.5Å; N274-F277 PolarHBondContact O-N 2.87Å; N274-F277 VanDerWaalsContact O-N 3.16Å; F277-G281 PolarHBondContact O-N 3.35Å; F277-I340 HydrophobicContact CE1-CG2 4.08Å; F277-R343 HydrophobicContact CD1-CB 4.05Å; F277-R343 HydrophobicContact CE1-CB 3.53Å; F277-R343 HydrophobicContact CE1-CG 4.39Å; F277-R343 HydrophobicContact CE2-CB 4.34Å; F277-R343 HydrophobicContact CZ-CB 3.71Å; F277-R343 HydrophobicContact CZ-CG 4.12Å; F277-F344 HydrophobicContact CB-CD1 4.3Å; F277-F344 HydrophobicContact CB-CE1 4.07Å; F277-F344 HydrophobicContact CD1-CD1 4.02Å; F277-F344 AromaticContact CD1-CD2 3.79Å; F277-F344 HydrophobicContact CD1-CD2 3.79Å; F277-F344 AromaticContact CD1-CE1 3.94Å; F277-F344 HydrophobicContact CD1-CE1 3.94Å; F277-F344 AromaticContact CD1-CE2 3.71Å; F277-F344 HydrophobicContact CD1-CE2 3.71Å; F277-F344 AromaticContact CD1-CG 3.94Å; F277-F344 HydrophobicContact CD1-CG 3.94Å; F277-F344 AromaticContact CD1-CZ 3.78Å; F277-F344 HydrophobicContact CD1-CZ 3.78Å; F277-F344 HydrophobicContact CE1-CD2 4.14Å; F277-F344 HydrophobicContact CE1-CE2 4.08Å; F277-F344 WeakPolarHBondContact O-CE1 3.42Å; F277-L347 HydrophobicContact CB-CD1 3.46Å; F277-L347 VanDerWaalsContact CB-CD1 3.46Å; F277-L347 HydrophobicContact CD2-CD1 4.26Å; F277-L347 HydrophobicContact CG-CD1 3.94Å
278	K	88.5	Confident	87.5	Confident	113 Å²	113	51 Å²	51	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-49.6	172.6	-176.9	178.9	176.4	-171.5	0	110.5	N274 D275 L276 G281 D282	N274-K278 WeakPolarHBondContact O-CB 3.28Å; N274-K278 PolarHBondContact O-N 2.74Å; D275-K278 PolarHBondContact O-N 2.81Å; L276-K278 VanDerWaalsContact C-N 3.34Å; K278-G281 PolarHBondContact O-N 3.02Å; K278-D282 WeakPolarHBondContact CG-OD2 3.32Å; K278-D282 WeakPolarHBondContact O-CB 3.39Å; K278-D282 PolarHBondContact O-N 2.96Å
279	F	88.3	Confident	87.3	Confident	24 Å²	24	53.6 Å²	53.6	11%	0.105	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-52	178.7	174	-94.2	0	0	0	112.3	F186 L239 L240 L253 Y265 D275 L276 G281 D282 A283	F186-F279 HydrophobicContact CB-CE1 4.46Å; L239-F279 HydrophobicContact CB-CE2 4.17Å; L239-F279 HydrophobicContact CB-CZ 4.37Å; L239-F279 HydrophobicContact CD1-CE2 4.38Å; L239-F279 HydrophobicContact CD1-CZ 3.92Å; L240-F279 HydrophobicContact CD1-CB 4.36Å; L240-F279 HydrophobicContact CD1-CD2 4.08Å; L240-F279 HydrophobicContact CD1-CG 4.17Å; L240-F279 HydrophobicContact CD2-CD2 3.82Å; L240-F279 HydrophobicContact CD2-CG 4.46Å; L240-F279 HydrophobicContact CG-CD2 4.04Å; L240-F279 HydrophobicContact CG-CE2 4.41Å; L253-F279 HydrophobicContact CD1-CZ 4.02Å; L253-F279 HydrophobicContact CD2-CE2 4.16Å; L253-F279 HydrophobicContact CD2-CZ 4.08Å; Y265-F279 AromaticContact CD2-CD1 3.95Å; Y265-F279 HydrophobicContact CD2-CD1 3.95Å; Y265-F279 AromaticContact CD2-CE1 3.92Å; Y265-F279 HydrophobicContact CD2-CE1 3.92Å; Y265-F279 AromaticContact CE2-CD1 3.35Å; Y265-F279 HydrophobicContact CE2-CD1 3.35Å; Y265-F279 AromaticContact CE2-CE1 3.61Å; Y265-F279 HydrophobicContact CE2-CE1 3.61Å; Y265-F279 HydrophobicContact CE2-CG 4.21Å; D275-F279 VanDerWaalsContact O-CB 3.22Å; D275-F279 WeakPolarHBondContact O-CB 3.29Å; D275-F279 PolarHBondContact O-N 3.13Å; L276-F279 PolarHBondContact O-N 3.23Å; F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 3.01Å; F279-D282 PolarHBondContact O-N 2.87Å; F279-A283 WeakPolarHBondContact O-CB 3.4Å; F279-A283 PolarHBondContact O-N 2.94Å
280	L	91.3	Very high	87.1	Confident	2 Å²	2	54 Å²	54	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-35.4	179.2	-70.2	179.2	0	0	0	112	Y265 L276 S284 V315 I317 F344 F354	Y265-L280 HydrophobicContact CD2-CD2 4.04Å; Y265-L280 HydrophobicContact CD2-CG 4.42Å; L276-L280 HydrophobicContact CD2-CD1 3.82Å; L276-L280 HydrophobicContact CG-CD1 4.37Å; L276-L280 PolarHBondContact O-N 2.95Å; L280-S284 VanDerWaalsContact O-CB 3.27Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.82Å; L280-V315 HydrophobicContact CD2-CG1 4.42Å; L280-I317 HydrophobicContact CD1-CD1 4.05Å; L280-I317 HydrophobicContact CD1-CG1 4.21Å; L280-F344 HydrophobicContact CB-CE1 4.12Å; L280-F344 HydrophobicContact CB-CZ 3.87Å; L280-F344 HydrophobicContact CD1-CZ 4.08Å; L280-F354 HydrophobicContact CB-CE2 4.2Å; L280-F354 HydrophobicContact CD2-CE2 4.15Å; L280-F354 HydrophobicContact CD2-CZ 4.29Å; L280-F354 WeakPolarHBondContact O-CE2 3.17Å
281	G	90.4	Very high	87	Confident	3 Å²	3	50.5 Å²	50.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-50.3	174	0	0	0	0	0	112.6	F277 K278 F279 A283 S284 E285	F277-G281 PolarHBondContact O-N 3.35Å; K278-G281 PolarHBondContact O-N 3.02Å; F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 3.01Å; G281-A283 VanDerWaalsContact C-N 3.34Å; G281-A283 PolarHBondContact O-N 3.4Å; G281-S284 WeakPolarHBondContact O-CB 3.4Å; G281-S284 PolarHBondContact O-N 2.9Å; G281-E285 PolarHBondContact O-N 3.49Å
282	D	88.3	Confident	86.8	Confident	59 Å²	59	43.6 Å²	43.6	32%	0.316	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-40.6	178.3	-69.4	-22.7	0	0	0	111	K278 F279 S284 E285 A286 R349	K278-D282 WeakPolarHBondContact CG-OD2 3.32Å; K278-D282 WeakPolarHBondContact O-CB 3.39Å; K278-D282 PolarHBondContact O-N 2.96Å; F279-D282 PolarHBondContact O-N 2.87Å; D282-S284 VanDerWaalsContact C-N 3.35Å; D282-S284 PolarHBondContact O-N 2.87Å; D282-E285 PolarHBondContact O-N 3.27Å; D282-A286 WeakPolarHBondContact O-CB 3.26Å; D282-A286 PolarHBondContact O-N 3.47Å; D282-R349 IonicContact OD1-CZ 3.84Å; D282-R349 IonicContact OD1-NH1 3.6Å; D282-R349 PolarHBondContact OD1-NH1 3.44Å; D282-R349 IonicContact OD1-NH2 3.8Å; D282-R349 PolarHBondContact OD1-NH2 3.24Å; D282-R349 IonicContact OD2-NH2 3.7Å
283	A	88.1	Confident	86.3	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-44	174.5	0	0	0	0	0	111.9	L253 L257 F279 G281 Y287 F354	L253-A283 HydrophobicContact CD2-CB 3.77Å; L257-A283 HydrophobicContact CD1-CB 4.22Å; F279-A283 WeakPolarHBondContact O-CB 3.4Å; F279-A283 PolarHBondContact O-N 2.94Å; G281-A283 VanDerWaalsContact C-N 3.34Å; G281-A283 PolarHBondContact O-N 3.4Å; A283-Y287 VanDerWaalsContact O-CB 3.27Å; A283-Y287 WeakPolarHBondContact O-CB 3.46Å; A283-Y287 PolarHBondContact O-N 3.09Å; A283-F354 HydrophobicContact CB-CZ 4.28Å
284	S	89.8	Confident	85.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-46.5	177.5	169.8	0	0	0	0	111.8	L280 G281 D282 Y287 L288 F350 P351 E352 A353	L280-S284 VanDerWaalsContact O-CB 3.27Å; L280-S284 WeakPolarHBondContact O-CB 3.43Å; L280-S284 PolarHBondContact O-N 2.82Å; G281-S284 WeakPolarHBondContact O-CB 3.4Å; G281-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact C-N 3.35Å; D282-S284 PolarHBondContact O-N 2.87Å; S284-Y287 PolarHBondContact O-N 3.15Å; S284-L288 WeakPolarHBondContact O-CG 3.25Å; S284-L288 PolarHBondContact O-N 3.09Å; S284-F350 PolarHBondContact OG-O 3.28Å; S284-P351 VanDerWaalsContact OG-C 3.25Å; S284-P351 WeakPolarHBondContact OG-CA 3.44Å; S284-E352 PolarHBondContact OG-N 2.81Å; S284-A353 WeakPolarHBondContact OG-CB 3.42Å; S284-A353 PolarHBondContact OG-N 3.45Å
285	E	87.6	Confident	85.3	Confident	115 Å²	115	40.4 Å²	40.4	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-46.3	178.1	-173.2	175	179.6	0	0	111.5	G281 D282 Y287 L288 K289 R349	G281-E285 PolarHBondContact O-N 3.49Å; D282-E285 PolarHBondContact O-N 3.27Å; E285-Y287 PolarHBondContact O-N 3.48Å; E285-L288 PolarHBondContact O-N 2.95Å; E285-K289 VanDerWaalsContact O-CB 3.3Å; E285-K289 WeakPolarHBondContact O-CB 3.41Å; E285-K289 PolarHBondContact O-N 2.98Å; E285-R349 IonicContact OE2-NH1 3.69Å; E285-R349 PolarHBondContact OE2-NH1 2.88Å
286	A	85.6	Confident	84.9	Confident	19 Å²	19	41 Å²	41	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-44.7	175.6	0	0	0	0	0	111.6	T250 L254 D282 L288 K289 H290	T250-A286 HydrophobicContact CG2-CB 4.37Å; L254-A286 HydrophobicContact CD2-CB 4.1Å; D282-A286 WeakPolarHBondContact O-CB 3.26Å; D282-A286 PolarHBondContact O-N 3.47Å; A286-L288 PolarHBondContact O-N 3.19Å; A286-K289 PolarHBondContact O-N 2.94Å; A286-H290 PolarHBondContact O-CD2 2.84Å; A286-H290 PolarHBondContact O-N 3.33Å
287	Y	86.6	Confident	84.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-51.1	177.9	-174.8	-85.4	0	0	0	111.3	L257 A258 A283 S284 E285 K289 H290 F291 L295 A353 R388	L257-Y287 HydrophobicContact CB-CD2 4.05Å; L257-Y287 HydrophobicContact CB-CE2 4.29Å; A258-Y287 HydrophobicContact CB-CE2 4.38Å; A283-Y287 VanDerWaalsContact O-CB 3.27Å; A283-Y287 WeakPolarHBondContact O-CB 3.46Å; A283-Y287 PolarHBondContact O-N 3.09Å; S284-Y287 PolarHBondContact O-N 3.15Å; E285-Y287 PolarHBondContact O-N 3.48Å; Y287-K289 PolarHBondContact O-N 3Å; Y287-H290 PolarHBondContact O-N 3.13Å; Y287-F291 HydrophobicContact CD1-CD2 4.1Å; Y287-F291 AromaticContact CD2-CD2 3.43Å; Y287-F291 HydrophobicContact CD2-CD2 3.43Å; Y287-F291 VanDerWaalsContact CD2-CD2 3.43Å; Y287-F291 AromaticContact CD2-CE2 3.62Å; Y287-F291 HydrophobicContact CD2-CE2 3.62Å; Y287-F291 HydrophobicContact CE1-CB 4.26Å; Y287-F291 HydrophobicContact CE1-CD2 4.19Å; Y287-F291 AromaticContact CE2-CD2 3.54Å; Y287-F291 HydrophobicContact CE2-CD2 3.54Å; Y287-F291 AromaticContact CE2-CE2 3.78Å; Y287-F291 HydrophobicContact CE2-CE2 3.78Å; Y287-F291 HydrophobicContact CE2-CG 4.33Å; Y287-F291 AromaticContact CG-CD2 3.72Å; Y287-F291 HydrophobicContact CG-CD2 3.72Å; Y287-F291 HydrophobicContact CG-CE2 4.3Å; Y287-F291 AromaticContact CZ-CD2 3.93Å; Y287-F291 WeakPolarHBondContact O-CB 3.23Å; Y287-F291 WeakPolarHBondContact O-CD2 3.34Å; Y287-F291 PolarHBondContact O-N 3.43Å; Y287-L295 HydrophobicContact CE1-CD1 3.96Å; Y287-A353 HydrophobicContact CD1-CB 3.68Å; Y287-A353 HydrophobicContact CG-CB 4.02Å; Y287-R388 PolarHBondContact OH-NH2 3.02Å; Y287-R388 VanDerWaalsContact OH-NH2 3.13Å
288	L	84.8	Confident	83.1	Confident	30 Å²	30	42.6 Å²	42.6	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-42.2	178.6	-69.1	173.3	0	0	0	111.5	S284 E285 A286 H290 T292 E352 A353	S284-L288 WeakPolarHBondContact O-CG 3.25Å; S284-L288 PolarHBondContact O-N 3.09Å; E285-L288 PolarHBondContact O-N 2.95Å; A286-L288 PolarHBondContact O-N 3.19Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 2.77Å; L288-T292 WeakPolarHBondContact O-CB 3.48Å; L288-T292 PolarHBondContact O-N 3.46Å; L288-T292 PolarHBondContact O-OG1 3.37Å; L288-E352 HydrophobicContact CD1-CB 3.79Å; L288-A353 HydrophobicContact CD2-CB 4.47Å; L288-A353 HydrophobicContact CG-CB 4.1Å
289	K	84.1	Confident	82.2	Confident	146 Å²	146	38.2 Å²	38.2	64%	0.635	19%	0.19	S	C	*	.	H	α-helix	trans	-54.4	-46.7	177.5	-174.5	-175.7	176.8	-172.2	0	111.9	E285 A286 Y287	E285-K289 VanDerWaalsContact O-CB 3.3Å; E285-K289 WeakPolarHBondContact O-CB 3.41Å; E285-K289 PolarHBondContact O-N 2.98Å; A286-K289 PolarHBondContact O-N 2.94Å; Y287-K289 PolarHBondContact O-N 3Å
290	H	80.5	Confident	81.4	Confident	30 Å²	30	40.9 Å²	40.9	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-89.2	-26.6	-172.5	-66.6	-66.2	0	0	0	114.6	L254 A286 Y287 L288 R406 F407 I411	L254-H290 HydrophobicContact CD1-CB 4.44Å; L254-H290 VanDerWaalsContact CD1-CD2 3.5Å; L254-H290 WeakPolarHBondContact CD1-CD2 3.3Å; A286-H290 PolarHBondContact O-CD2 2.84Å; A286-H290 PolarHBondContact O-N 3.33Å; Y287-H290 PolarHBondContact O-N 3.13Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 2.77Å; H290-R406 PolarHBondContact O-NH1 2.83Å; H290-F407 HydrophobicContact CB-CE1 4.11Å; H290-F407 HydrophobicContact CB-CZ 3.97Å; H290-I411 VanDerWaalsContact CE1-CG2 3.47Å; H290-I411 WeakPolarHBondContact CE1-CG2 3.41Å
291	F	81.6	Confident	80.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-105.7	-15.8	-174.8	-62.4	-67.4	0	0	0	114.5	L254 A258 Y287 K293 E294 L295 L403 F407 F422	L254-F291 HydrophobicContact CB-CE2 4.08Å; L254-F291 HydrophobicContact CB-CZ 4.29Å; L254-F291 HydrophobicContact CD2-CE2 3.88Å; L254-F291 HydrophobicContact CG-CE2 4.49Å; A258-F291 HydrophobicContact CB-CE1 4.22Å; A258-F291 HydrophobicContact CB-CE2 4.2Å; A258-F291 HydrophobicContact CB-CZ 3.76Å; Y287-F291 HydrophobicContact CD1-CD2 4.1Å; Y287-F291 AromaticContact CD2-CD2 3.43Å; Y287-F291 HydrophobicContact CD2-CD2 3.43Å; Y287-F291 VanDerWaalsContact CD2-CD2 3.43Å; Y287-F291 AromaticContact CD2-CE2 3.62Å; Y287-F291 HydrophobicContact CD2-CE2 3.62Å; Y287-F291 HydrophobicContact CE1-CB 4.26Å; Y287-F291 HydrophobicContact CE1-CD2 4.19Å; Y287-F291 AromaticContact CE2-CD2 3.54Å; Y287-F291 HydrophobicContact CE2-CD2 3.54Å; Y287-F291 AromaticContact CE2-CE2 3.78Å; Y287-F291 HydrophobicContact CE2-CE2 3.78Å; Y287-F291 HydrophobicContact CE2-CG 4.33Å; Y287-F291 AromaticContact CG-CD2 3.72Å; Y287-F291 HydrophobicContact CG-CD2 3.72Å; Y287-F291 HydrophobicContact CG-CE2 4.3Å; Y287-F291 AromaticContact CZ-CD2 3.93Å; Y287-F291 WeakPolarHBondContact O-CB 3.23Å; Y287-F291 WeakPolarHBondContact O-CD2 3.34Å; Y287-F291 PolarHBondContact O-N 3.43Å; F291-K293 VanDerWaalsContact C-N 3.34Å; F291-K293 PolarHBondContact O-N 3.49Å; F291-E294 PolarHBondContact O-N 2.85Å; F291-E294 VanDerWaalsContact O-N 3.15Å; F291-L295 HydrophobicContact CB-CD1 3.8Å; F291-L295 HydrophobicContact CB-CG 4.1Å; F291-L295 WeakPolarHBondContact O-CB 3.4Å; F291-L295 VanDerWaalsContact O-CG 3.28Å; F291-L295 WeakPolarHBondContact O-CG 3.39Å; F291-L295 PolarHBondContact O-N 3.34Å; F291-L403 HydrophobicContact CE1-CD2 3.46Å; F291-L403 VanDerWaalsContact CE1-CD2 3.46Å; F291-L403 HydrophobicContact CZ-CD2 3.76Å; F291-F407 AromaticContact CE1-CE2 3.76Å; F291-F407 HydrophobicContact CE1-CE2 3.76Å; F291-F407 AromaticContact CE1-CZ 3.96Å; F291-F407 HydrophobicContact CE1-CZ 3.96Å; F291-F407 HydrophobicContact CE2-CZ 4.43Å; F291-F407 AromaticContact CZ-CE2 3.57Å; F291-F407 HydrophobicContact CZ-CE2 3.57Å; F291-F407 AromaticContact CZ-CZ 3.71Å; F291-F407 HydrophobicContact CZ-CZ 3.71Å; F291-F422 AromaticContact CD1-CE2 3.99Å; F291-F422 HydrophobicContact CD1-CE2 3.99Å; F291-F422 HydrophobicContact CD1-CZ 4.22Å; F291-F422 HydrophobicContact CE1-CE2 4.42Å; F291-F422 HydrophobicContact CE1-CZ 4.29Å
292	T	81.1	Confident	78.9	Confident	34 Å²	34	47.2 Å²	47.2	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-54.1	-44.8	-176	-74.2	0	0	0	0	113.5	L288 E294 L295 K296 L308	L288-T292 WeakPolarHBondContact O-CB 3.48Å; L288-T292 PolarHBondContact O-N 3.46Å; L288-T292 PolarHBondContact O-OG1 3.37Å; T292-E294 PolarHBondContact O-N 3.18Å; T292-L295 PolarHBondContact O-N 2.84Å; T292-K296 HydrophobicContact CG2-CD 3.98Å; T292-K296 HydrophobicContact CG2-CG 4.39Å; T292-K296 WeakPolarHBondContact O-CB 3.39Å; T292-K296 VanDerWaalsContact O-CG 3.28Å; T292-K296 WeakPolarHBondContact O-CG 3.18Å; T292-K296 PolarHBondContact O-N 2.98Å; T292-L308 HydrophobicContact CG2-CD1 3.82Å
293	K	77.6	Confident	77.8	Confident	128 Å²	128	47.3 Å²	47.3	56%	0.557	26%	0.256	S	S	*	.	H	α-helix	trans	-61.4	-45.9	-179.2	-67.7	-176.1	-178.1	179.8	0	111.4	F291 A297 D414	F291-K293 VanDerWaalsContact C-N 3.34Å; F291-K293 PolarHBondContact O-N 3.49Å; K293-A297 PolarHBondContact O-N 2.94Å; K293-D414 IonicContact NZ-OD1 2.82Å; K293-D414 PolarHBondContact NZ-OD1 3.43Å; K293-D414 IonicContact NZ-OD2 2.61Å; K293-D414 PolarHBondContact NZ-OD2 3.4Å
294	E	75.9	Confident	76.6	Confident	25 Å²	25	48.5 Å²	48.5	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-71.5	-41.8	179.9	-170.6	62.5	-150.5	0	0	112.2	F291 T292 K296 A297 T298 R301 S420 F421 F422	F291-E294 PolarHBondContact O-N 2.85Å; F291-E294 VanDerWaalsContact O-N 3.15Å; T292-E294 PolarHBondContact O-N 3.18Å; E294-K296 VanDerWaalsContact C-N 3.3Å; E294-K296 PolarHBondContact O-N 2.83Å; E294-A297 PolarHBondContact O-N 2.93Å; E294-A297 VanDerWaalsContact O-N 3.16Å; E294-T298 WeakPolarHBondContact O-CB 3.37Å; E294-T298 PolarHBondContact O-N 3.3Å; E294-T298 PolarHBondContact O-OG1 3.12Å; E294-R301 IonicContact OE1-NH1 2.78Å; E294-R301 PolarHBondContact OE1-NH1 2.7Å; E294-R301 IonicContact OE1-NH2 3.19Å; E294-S420 WeakPolarHBondContact OE1-CA 3.37Å; E294-S420 PolarHBondContact OE1-OG 2.88Å; E294-S420 VanDerWaalsContact OE1-OG 3.13Å; E294-F421 HydrophobicContact CB-CD2 4.14Å; E294-F421 HydrophobicContact CG-CD2 3.83Å; E294-F422 HydrophobicContact CG-CD2 4.46Å
295	L	75.9	Confident	75.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-40.7	178.5	-68.5	171.4	0	0	0	110.4	Y287 F291 T292 T298 T299 L308 L311 F422 F427	Y287-L295 HydrophobicContact CE1-CD1 3.96Å; F291-L295 HydrophobicContact CB-CD1 3.8Å; F291-L295 HydrophobicContact CB-CG 4.1Å; F291-L295 WeakPolarHBondContact O-CB 3.4Å; F291-L295 VanDerWaalsContact O-CG 3.28Å; F291-L295 WeakPolarHBondContact O-CG 3.39Å; F291-L295 PolarHBondContact O-N 3.34Å; T292-L295 PolarHBondContact O-N 2.84Å; L295-T298 PolarHBondContact O-N 2.7Å; L295-T299 WeakPolarHBondContact O-CG2 3.49Å; L295-T299 PolarHBondContact O-N 3.04Å; L295-T299 PolarHBondContact O-OG1 3.26Å; L295-L308 HydrophobicContact CB-CD2 3.72Å; L295-L311 HydrophobicContact CB-CD1 4.08Å; L295-L311 HydrophobicContact CD2-CB 4.28Å; L295-L311 HydrophobicContact CD2-CD1 4.01Å; L295-L311 HydrophobicContact CG-CD1 4.45Å; L295-F422 HydrophobicContact CD2-CD2 4.48Å; L295-F422 HydrophobicContact CD2-CE2 4.25Å; L295-F427 HydrophobicContact CD2-CE1 4.33Å; L295-F427 HydrophobicContact CD2-CZ 3.83Å
296	K	76.7	Confident	74.2	Confident	121 Å²	121	53.8 Å²	53.8	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-41.8	172.3	-74.9	-179.8	177.3	-179	0	112.8	T292 E294 T298 T299 A300 L308	T292-K296 HydrophobicContact CG2-CD 3.98Å; T292-K296 HydrophobicContact CG2-CG 4.39Å; T292-K296 WeakPolarHBondContact O-CB 3.39Å; T292-K296 VanDerWaalsContact O-CG 3.28Å; T292-K296 WeakPolarHBondContact O-CG 3.18Å; T292-K296 PolarHBondContact O-N 2.98Å; E294-K296 VanDerWaalsContact C-N 3.3Å; E294-K296 PolarHBondContact O-N 2.83Å; K296-T298 VanDerWaalsContact C-N 3.32Å; K296-T299 WeakPolarHBondContact CA-OG1 3.37Å; K296-T299 PolarHBondContact O-OG1 2.86Å; K296-A300 VanDerWaalsContact O-CB 3.32Å; K296-A300 WeakPolarHBondContact O-CB 3.45Å; K296-A300 PolarHBondContact O-N 3.5Å; K296-L308 HydrophobicContact CD-CD1 4.21Å; K296-L308 HydrophobicContact CG-CD1 3.67Å; K296-L308 HydrophobicContact CG-CD2 4Å; K296-L308 HydrophobicContact CG-CG 4.37Å
297	A	72.9	Confident	73.3	Confident	39 Å²	39	56.7 Å²	56.7	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-42.3	176.1	0	0	0	0	0	110.8	K293 E294 A300 R301	K293-A297 PolarHBondContact O-N 2.94Å; E294-A297 PolarHBondContact O-N 2.93Å; E294-A297 VanDerWaalsContact O-N 3.16Å; A297-A300 PolarHBondContact O-N 3.21Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.5Å; A297-R301 PolarHBondContact O-N 2.97Å
298	T	69.5	Low	72.3	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-45.5	179.4	-54.2	0	0	0	0	111.5	E294 L295 K296 A300 R301 C302 F427	E294-T298 WeakPolarHBondContact O-CB 3.37Å; E294-T298 PolarHBondContact O-N 3.3Å; E294-T298 PolarHBondContact O-OG1 3.12Å; L295-T298 PolarHBondContact O-N 2.7Å; K296-T298 VanDerWaalsContact C-N 3.32Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 2.85Å; T298-R301 PolarHBondContact O-N 2.89Å; T298-R301 PolarHBondContact OG1-NH2 2.93Å; T298-C302 WeakPolarHBondContact O-CB 3.45Å; T298-C302 PolarHBondContact O-N 2.9Å; T298-C302 PolarHBondContact O-SG 3.03Å; T298-F427 HydrophobicContact CG2-CD2 3.76Å; T298-F427 HydrophobicContact CG2-CE2 3.6Å
299	T	69	Low	71.4	Confident	20 Å²	20	59 Å²	59	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-38.7	177	55.2	0	0	0	0	111.8	L295 K296 C302 G303 L304 L308 L311	L295-T299 WeakPolarHBondContact O-CG2 3.49Å; L295-T299 PolarHBondContact O-N 3.04Å; L295-T299 PolarHBondContact O-OG1 3.26Å; K296-T299 WeakPolarHBondContact CA-OG1 3.37Å; K296-T299 PolarHBondContact O-OG1 2.86Å; T299-C302 PolarHBondContact O-N 2.83Å; T299-G303 PolarHBondContact O-N 3.27Å; T299-L304 HydrophobicContact CG2-CB 4.05Å; T299-L304 PolarHBondContact O-N 3.39Å; T299-L308 HydrophobicContact CG2-CD2 4.44Å; T299-L311 HydrophobicContact CG2-CD1 3.67Å
300	A	71.1	Confident	70.7	Confident	81 Å²	81	54.2 Å²	54.2	67%	0.669	31%	0.312	S	S	*	.	H	α-helix	trans	-65.3	-43.1	174.7	0	0	0	0	0	112.5	K296 A297 T298 C302	K296-A300 VanDerWaalsContact O-CB 3.32Å; K296-A300 WeakPolarHBondContact O-CB 3.45Å; K296-A300 PolarHBondContact O-N 3.5Å; A297-A300 PolarHBondContact O-N 3.21Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 2.85Å; A300-C302 VanDerWaalsContact C-N 3.32Å
301	R	67.9	Low	70.4	Confident	126 Å²	126	53 Å²	53	48%	0.475	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-35.8	174.4	-70.7	-170.7	-48	-117.3	3	112.3	E294 A297 T298 S420 D424	E294-R301 IonicContact OE1-NH1 2.78Å; E294-R301 PolarHBondContact OE1-NH1 2.7Å; E294-R301 IonicContact OE1-NH2 3.19Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.5Å; A297-R301 PolarHBondContact O-N 2.97Å; T298-R301 PolarHBondContact O-N 2.89Å; T298-R301 PolarHBondContact OG1-NH2 2.93Å; R301-S420 PolarHBondContact NH2-OG 3.08Å; R301-D424 IonicContact NE-OD1 2.75Å; R301-D424 IonicContact NH2-OD1 3.59Å
302	C	62.9	Low	70.5	Confident	11 Å²	11	53.1 Å²	53.1	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-91.9	-6.4	-173.3	-68.4	0	0	0	0	114.4	T298 T299 A300 L304 M444	T298-C302 WeakPolarHBondContact O-CB 3.45Å; T298-C302 PolarHBondContact O-N 2.9Å; T298-C302 PolarHBondContact O-SG 3.03Å; T299-C302 PolarHBondContact O-N 2.83Å; A300-C302 VanDerWaalsContact C-N 3.32Å; C302-L304 HydrophobicContact CB-CD1 3.78Å; C302-L304 HydrophobicContact CB-CG 4Å; C302-L304 PolarHBondContact O-N 2.64Å; C302-M444 HydrophobicContact CB-CE 3.72Å
303	G	64.1	Low	71	Confident	61 Å²	61	51.6 Å²	51.6	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	29.6	-174.7	0	0	0	0	0	113.6	T299	T299-G303 PolarHBondContact O-N 3.27Å
304	L	63.9	Low	71.7	Confident	30 Å²	30	46 Å²	46	16%	0.157	28%	0.276	C	S	.	.			trans	-85.7	111	177.9	-76.8	162.9	0	0	0	109.4	T299 C302 V306	T299-L304 HydrophobicContact CG2-CB 4.05Å; T299-L304 PolarHBondContact O-N 3.39Å; C302-L304 HydrophobicContact CB-CD1 3.78Å; C302-L304 HydrophobicContact CB-CG 4Å; C302-L304 PolarHBondContact O-N 2.64Å; L304-V306 VanDerWaalsContact C-N 3.35Å; L304-V306 HydrophobicContact CB-CG2 4.29Å; L304-V306 PolarHBondContact O-N 2.99Å
305	D	62.1	Low	72.6	Confident	168 Å²	168	44.8 Å²	44.8	90%	0.898	27%	0.27	S	S	*	.			trans	-93	67.1	172.1	-166.9	22.1	0	0	0	110.1
306	V	65	Low	73.6	Confident	58 Å²	58	44.8 Å²	44.8	35%	0.352	27%	0.27	S	S	.	.			trans	-127.7	143.5	178.9	-60.4	0	0	0	0	111	L304 L308 L311	L304-V306 VanDerWaalsContact C-N 3.35Å; L304-V306 HydrophobicContact CB-CG2 4.29Å; L304-V306 PolarHBondContact O-N 2.99Å; V306-L308 PolarHBondContact O-N 2.91Å; V306-L311 HydrophobicContact CG2-CD2 3.81Å; V306-L311 HydrophobicContact CG2-CG 4.31Å
307	P	65.4	Low	74.6	Confident	81 Å²	81	39 Å²	39	53%	0.526	25%	0.245	S	C	.	.			trans	-55.7	139.6	172.2	-23.3	33.6	0	0	0	110.8	S309 T310	P307-S309 WeakPolarHBondContact CB-OG 3.1Å; P307-S309 PolarHBondContact O-N 3.27Å; P307-T310 HydrophobicContact CB-CG2 4.37Å; P307-T310 HydrophobicContact CG-CG2 4.46Å; P307-T310 PolarHBondContact O-N 2.98Å; P307-T310 PolarHBondContact O-OG1 3.49Å
308	L	67.3	Low	75.7	Confident	33 Å²	33	37.2 Å²	37.2	17%	0.173	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24	178.7	-61	172.4	0	0	0	112.7	T292 L295 K296 T299 V306 T310 L311	T292-L308 HydrophobicContact CG2-CD1 3.82Å; L295-L308 HydrophobicContact CB-CD2 3.72Å; K296-L308 HydrophobicContact CD-CD1 4.21Å; K296-L308 HydrophobicContact CG-CD1 3.67Å; K296-L308 HydrophobicContact CG-CD2 4Å; K296-L308 HydrophobicContact CG-CG 4.37Å; T299-L308 HydrophobicContact CG2-CD2 4.44Å; V306-L308 PolarHBondContact O-N 2.91Å; L308-T310 PolarHBondContact O-N 3.01Å; L308-L311 HydrophobicContact CD2-CD1 3.95Å; L308-L311 WeakPolarHBondContact O-CB 3.38Å; L308-L311 PolarHBondContact O-N 2.86Å; L308-L311 VanDerWaalsContact O-N 3.16Å
309	S	64.8	Low	76.9	Confident	46 Å²	46	37.4 Å²	37.4	32%	0.322	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.3	-22.4	175.4	50.5	0	0	0	0	114.2	P307 L311 E352 F354	P307-S309 WeakPolarHBondContact CB-OG 3.1Å; P307-S309 PolarHBondContact O-N 3.27Å; S309-L311 VanDerWaalsContact C-N 3.31Å; S309-E352 CarbonylContact C-O 3.51Å; S309-E352 WeakPolarHBondContact CA-O 3.24Å; S309-E352 WeakPolarHBondContact CB-O 3.4Å; S309-F354 CarbonylContact O-C 3.6Å
310	T	68.6	Low	77.9	Confident	45 Å²	45	36.8 Å²	36.8	28%	0.276	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-85.9	-4.8	177.9	66.4	0	0	0	0	112.9	P307 L308 T387	P307-T310 HydrophobicContact CB-CG2 4.37Å; P307-T310 HydrophobicContact CG-CG2 4.46Å; P307-T310 PolarHBondContact O-N 2.98Å; P307-T310 PolarHBondContact O-OG1 3.49Å; L308-T310 PolarHBondContact O-N 3.01Å; T310-T387 WeakPolarHBondContact O-CB 3.29Å; T310-T387 WeakPolarHBondContact O-CG2 3.39Å; T310-T387 PolarHBondContact O-OG1 2.9Å
311	L	74.8	Confident	78.7	Confident	5 Å²	5	33 Å²	33	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-90.7	-16	-171.9	-63.9	177.9	0	0	0	115	L295 T299 V306 L308 S309 T387 R388 F427	L295-L311 HydrophobicContact CB-CD1 4.08Å; L295-L311 HydrophobicContact CD2-CB 4.28Å; L295-L311 HydrophobicContact CD2-CD1 4.01Å; L295-L311 HydrophobicContact CG-CD1 4.45Å; T299-L311 HydrophobicContact CG2-CD1 3.67Å; V306-L311 HydrophobicContact CG2-CD2 3.81Å; V306-L311 HydrophobicContact CG2-CG 4.31Å; L308-L311 HydrophobicContact CD2-CD1 3.95Å; L308-L311 WeakPolarHBondContact O-CB 3.38Å; L308-L311 PolarHBondContact O-N 2.86Å; L308-L311 VanDerWaalsContact O-N 3.16Å; S309-L311 VanDerWaalsContact C-N 3.31Å; L311-T387 VanDerWaalsContact CA-CG2 3.46Å; L311-T387 HydrophobicContact CB-CG2 4.47Å; L311-T387 HydrophobicContact CD2-CG2 3.97Å; L311-R388 VanDerWaalsContact O-CZ 3.28Å; L311-R388 PolarHBondContact O-NE 2.95Å; L311-R388 PolarHBondContact O-NH2 2.63Å; L311-F427 HydrophobicContact CD2-CD1 4.27Å; L311-F427 HydrophobicContact CD2-CE1 4.23Å
312	G	83.6	Confident	79.5	Confident	2 Å²	2	29 Å²	29	2%	0.021	18%	0.184	C	C	.	.	S	Bend	trans	-86.7	177.2	176.7	0	0	0	0	0	114	A353 S355	G312-A353 WeakPolarHBondContact CA-O 3.23Å; G312-A353 PolarHBondContact N-O 3.14Å; G312-S355 WeakPolarHBondContact O-CB 3.25Å; G312-S355 PolarHBondContact O-OG 2.76Å; G312-S355 VanDerWaalsContact O-OG 3.14Å
313	P	91.3	Very high	80.3	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.013	21%	0.212	C	C	.	.			trans	-64.9	156	-178	25.3	-32	0	0	0	112	L257 S260 D261 V263 F354 S355	L257-P313 HydrophobicContact CD2-CG 3.95Å; S260-P313 WeakPolarHBondContact O-CB 3.28Å; D261-P313 WeakPolarHBondContact O-CA 3.45Å; V263-P313 HydrophobicContact CG2-CB 3.75Å; V263-P313 HydrophobicContact CG2-CG 3.75Å; P313-F354 HydrophobicContact CG-CD1 4.13Å; P313-F354 HydrophobicContact CG-CE1 4.44Å; P313-F354 WeakPolarHBondContact O-CA 3.34Å; P313-S355 PolarHBondContact O-N 2.88Å; P313-S355 VanDerWaalsContact O-N 3.14Å; P313-S355 PolarHBondContact O-OG 3.33Å
314	A	93.5	Very high	81.1	Confident	10 Å²	10	33.7 Å²	33.7	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	151.5	161.8	0	0	0	0	0	109.6	D261 L262 V263 S355 S356	D261-A314 PolarHBondContact O-N 3.45Å; D261-A314 VanDerWaalsContact O-N 3.12Å; L262-A314 CarbonylContact C-O 3.58Å; L262-A314 WeakPolarHBondContact CA-O 3.4Å; L262-A314 HydrophobicContact CD1-CB 3.75Å; L262-A314 WeakPolarHBondContact CD1-O 3.23Å; V263-A314 PolarHBondContact N-O 3Å; A314-S355 PolarHBondContact N-OG 3.46Å; A314-S356 VanDerWaalsContact CB-OG 3.26Å; A314-S356 WeakPolarHBondContact CB-OG 3.23Å
315	V	95.1	Very high	82	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.8	178.9	-177.4	0	0	0	0	110.2	V263 L280 F354 S356 I357 H358	V263-V315 HydrophobicContact CB-CG2 4.26Å; V263-V315 CarbonylContact O-C 3.54Å; V263-V315 VanDerWaalsContact O-CA 3.28Å; V263-V315 WeakPolarHBondContact O-CA 3.27Å; L280-V315 HydrophobicContact CD2-CG1 4.42Å; V315-F354 HydrophobicContact CG2-CB 3.92Å; V315-F354 HydrophobicContact CG2-CD1 3.54Å; V315-F354 HydrophobicContact CG2-CD2 3.88Å; V315-F354 HydrophobicContact CG2-CE1 4Å; V315-F354 HydrophobicContact CG2-CE2 4.31Å; V315-F354 HydrophobicContact CG2-CG 3.48Å; V315-F354 VanDerWaalsContact CG2-CG 3.48Å; V315-F354 HydrophobicContact CG2-CZ 4.37Å; V315-S356 PolarHBondContact N-O 3.47Å; V315-I357 HydrophobicContact CB-CG1 4.28Å; V315-I357 CarbonylContact O-C 3.59Å; V315-I357 WeakPolarHBondContact O-CA 3.27Å; V315-H358 PolarHBondContact O-N 3.3Å
316	I	96.8	Very high	83.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	165.1	-63.6	167.8	0	0	0	108.4	L262 V263 I264 Y265 F318 H358 K360 L374 A377 L378 L381	L262-I316 HydrophobicContact CD1-CD1 4.15Å; L262-I316 HydrophobicContact CD1-CG1 4.1Å; L262-I316 HydrophobicContact CD2-CD1 4.3Å; V263-I316 PolarHBondContact O-N 2.98Å; I264-I316 CarbonylContact C-O 3.59Å; I264-I316 WeakPolarHBondContact CA-O 3.35Å; Y265-I316 PolarHBondContact N-O 2.91Å; I316-F318 PolarHBondContact O-N 3.22Å; I316-H358 CarbonylContact C-O 3.47Å; I316-H358 WeakPolarHBondContact CA-O 3.29Å; I316-H358 HydrophobicContact CG1-CB 4.26Å; I316-K360 HydrophobicContact CG2-CB 4.06Å; I316-L374 HydrophobicContact CD1-CD1 4.34Å; I316-L374 HydrophobicContact CG2-CD1 3.85Å; I316-A377 HydrophobicContact CD1-CB 4.25Å; I316-L378 HydrophobicContact CD1-CD2 3.87Å; I316-L378 HydrophobicContact CD1-CG 3.98Å; I316-L381 HydrophobicContact CD1-CD1 3.55Å; I316-L381 HydrophobicContact CG1-CD1 3.48Å; I316-L381 VanDerWaalsContact CG1-CD1 3.48Å
317	I	96.6	Very high	84.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	101.3	166.7	-65.2	161	0	0	0	107.4	Y265 L272 L276 L280 I340 I357 H358 Y359 K360	Y265-I317 CarbonylContact O-C 3.49Å; Y265-I317 WeakPolarHBondContact O-CA 3.31Å; L272-I317 HydrophobicContact CD2-CG2 4.19Å; L276-I317 HydrophobicContact CD1-CG2 3.82Å; L276-I317 HydrophobicContact CD2-CD1 4Å; L280-I317 HydrophobicContact CD1-CD1 4.05Å; L280-I317 HydrophobicContact CD1-CG1 4.21Å; I317-I340 HydrophobicContact CD1-CD1 3.94Å; I317-I340 HydrophobicContact CD1-CG2 4.3Å; I317-I357 HydrophobicContact CD1-CG2 3.66Å; I317-I357 HydrophobicContact CG1-CG2 4.31Å; I317-H358 PolarHBondContact N-O 2.9Å; I317-Y359 HydrophobicContact CG2-CD2 4.32Å; I317-K360 PolarHBondContact O-N 3.45Å
318	F	96.3	Very high	85	Confident	1 Å²	1	28 Å²	28	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	105.5	174.4	-175.8	-128.1	0	0	0	109.9	T196 I264 Y265 R266 T267 I316 K360 T362 T369 F371 L374	T196-F318 HydrophobicContact CG2-CD1 3.87Å; T196-F318 HydrophobicContact CG2-CE1 3.96Å; I264-F318 HydrophobicContact CG2-CB 4.01Å; Y265-F318 PolarHBondContact O-N 3.23Å; R266-F318 VanDerWaalsContact NH1-CD1 3.32Å; T267-F318 PolarHBondContact N-O 2.79Å; I316-F318 PolarHBondContact O-N 3.22Å; F318-K360 WeakPolarHBondContact CA-O 3.38Å; F318-K360 HydrophobicContact CD2-CB 4.32Å; F318-K360 HydrophobicContact CD2-CG 4.36Å; F318-K360 WeakPolarHBondContact CD2-O 3.46Å; F318-T362 HydrophobicContact CE2-CG2 3.8Å; F318-T362 HydrophobicContact CZ-CG2 3.72Å; F318-T369 HydrophobicContact CZ-CG2 4.39Å; F318-F371 AromaticContact CE1-CD1 3.79Å; F318-F371 HydrophobicContact CE1-CD1 3.79Å; F318-F371 AromaticContact CE1-CE1 3.66Å; F318-F371 HydrophobicContact CE1-CE1 3.66Å; F318-F371 AromaticContact CZ-CD1 3.79Å; F318-F371 HydrophobicContact CZ-CD1 3.79Å; F318-F371 HydrophobicContact CZ-CE1 4Å; F318-L374 HydrophobicContact CB-CD1 4.19Å; F318-L374 HydrophobicContact CB-CD2 4.41Å; F318-L374 HydrophobicContact CD1-CD2 3.72Å; F318-L374 HydrophobicContact CD2-CB 4.09Å; F318-L374 HydrophobicContact CD2-CD1 4.13Å; F318-L374 HydrophobicContact CD2-CD2 4.05Å; F318-L374 HydrophobicContact CD2-CG 4.31Å; F318-L374 HydrophobicContact CE1-CD2 3.9Å; F318-L374 HydrophobicContact CE2-CB 3.97Å; F318-L374 HydrophobicContact CE2-CD2 4.25Å; F318-L374 HydrophobicContact CG-CD1 4.18Å; F318-L374 HydrophobicContact CG-CD2 3.8Å; F318-L374 HydrophobicContact CG-CG 4.43Å; F318-L374 HydrophobicContact CZ-CB 4.41Å; F318-L374 HydrophobicContact CZ-CD2 4.18Å
319	H	94.3	Very high	85.6	Confident	5 Å²	5	29 Å²	29	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.6	-173.7	179.9	-159.5	0	0	0	110	T267 A269 L272 T321 Y359 K360 G361 T362	T267-H319 HydrophobicContact CG2-CB 3.98Å; A269-H319 PolarHBondContact O-CD2 2.94Å; A269-H319 PolarHBondContact O-NE2 3.11Å; L272-H319 HydrophobicContact CD2-CB 4.04Å; H319-T321 WeakPolarHBondContact CE1-CG2 3.49Å; H319-T321 WeakPolarHBondContact NE2-CG2 3.36Å; H319-Y359 HydrophobicContact CB-CE2 3.55Å; H319-Y359 AromaticContact ND1-CE2 3.72Å; H319-Y359 AromaticContact ND1-CZ 3.8Å; H319-Y359 PolarHBondContact ND1-OH 2.79Å; H319-K360 PolarHBondContact N-O 2.83Å; H319-G361 CarbonylContact O-C 3.38Å; H319-G361 VanDerWaalsContact O-CA 3.26Å; H319-G361 WeakPolarHBondContact O-CA 3.27Å; H319-T362 PolarHBondContact O-N 3.39Å
320	E	91.3	Very high	86.1	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	172.3	179.4	168	-173.1	0	0	110.6	R266 T267 H268 T362 T364 T369	R266-E320 IonicContact CZ-OE2 3.91Å; R266-E320 VanDerWaalsContact NH1-CB 3.32Å; R266-E320 IonicContact NH1-OE2 2.65Å; R266-E320 PolarHBondContact NH1-OE2 3.36Å; R266-E320 IonicContact NH2-OE2 3.16Å; R266-E320 PolarHBondContact NH2-OE2 3.2Å; T267-E320 PolarHBondContact O-N 3.14Å; H268-E320 IonicContact CD2-OE2 3.93Å; E320-T362 WeakPolarHBondContact CA-O 3.4Å; E320-T362 HydrophobicContact CB-CG2 4.04Å; E320-T362 HydrophobicContact CG-CG2 4.06Å; E320-T364 WeakPolarHBondContact OE1-CB 3.41Å; E320-T364 PolarHBondContact OE1-OG1 2.78Å; E320-T369 VanDerWaalsContact CD-CG2 3.47Å; E320-T369 HydrophobicContact CG-CG2 4.4Å; E320-T369 WeakPolarHBondContact OE1-CB 3.24Å; E320-T369 WeakPolarHBondContact OE1-CG2 3.49Å; E320-T369 PolarHBondContact OE1-OG1 3.13Å; E320-T369 WeakPolarHBondContact OE2-CG2 3.42Å; E320-T369 PolarHBondContact OE2-OG1 3.44Å
321	T	88.2	Confident	86.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.2	175.9	71.6	0	0	0	0	111.4	H319 T324 L326 T362 R363 T364	H319-T321 WeakPolarHBondContact CE1-CG2 3.49Å; H319-T321 WeakPolarHBondContact NE2-CG2 3.36Å; T321-T324 VanDerWaalsContact CB-OG1 3.3Å; T321-T324 WeakPolarHBondContact CB-OG1 3.48Å; T321-T324 WeakPolarHBondContact CG2-OG1 2.97Å; T321-T324 PolarHBondContact OG1-O 3.15Å; T321-L326 HydrophobicContact CG2-CD2 4.23Å; T321-T362 PolarHBondContact N-O 3.21Å; T321-R363 CarbonylContact O-C 3.55Å; T321-R363 VanDerWaalsContact O-CA 3.31Å; T321-R363 WeakPolarHBondContact O-CA 3.39Å; T321-T364 PolarHBondContact O-N 3.03Å
322	V	83.3	Confident	85.9	Confident	41 Å²	41	41.1 Å²	41.1	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-112.2	-54	172.7	-175.4	0	0	0	0	109.9	R363	V322-R363 PolarHBondContact O-NE 3.36Å; V322-R363 PolarHBondContact O-NH2 2.97Å
323	H	79.5	Confident	85.3	Confident	144 Å²	144	46.4 Å²	46.4	67%	0.667	26%	0.262	S	S	*	.	S	Bend	trans	-103.9	-15.2	-168.6	-60.7	-61.4	0	0	0	114.3	R363	H323-R363 PolarHBondContact O-NH2 3.3Å
324	T	82	Confident	84.7	Confident	27 Å²	27	49.5 Å²	49.5	17%	0.166	28%	0.277	C	S	.	.	S	Bend	trans	-105	155.3	-175.7	52.9	0	0	0	0	112.7	D270 R271 T321 R363	D270-T324 HydrophobicContact CB-CG2 3.71Å; D270-T324 WeakPolarHBondContact O-CB 3.44Å; D270-T324 VanDerWaalsContact O-CG2 3.23Å; D270-T324 WeakPolarHBondContact O-CG2 3.37Å; D270-T324 PolarHBondContact O-OG1 3.23Å; R271-T324 HydrophobicContact CG-CG2 4.34Å; T321-T324 VanDerWaalsContact CB-OG1 3.3Å; T321-T324 WeakPolarHBondContact CB-OG1 3.48Å; T321-T324 WeakPolarHBondContact CG2-OG1 2.97Å; T321-T324 PolarHBondContact OG1-O 3.15Å; T324-R363 WeakPolarHBondContact O-CD 3.4Å
325	Q	82.3	Confident	84.3	Confident	115 Å²	115	53.4 Å²	53.4	54%	0.537	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-73.1	153.7	171.6	-52.2	-171.1	8.4	0	0	111	S329 D330	Q325-S329 WeakPolarHBondContact CB-OG 3.42Å; Q325-S329 PolarHBondContact OE1-OG 3.15Å; Q325-D330 PolarHBondContact OE1-OD1 3.41Å; Q325-D330 VanDerWaalsContact OE1-OD1 3.09Å
326	L	88.7	Confident	84	Confident	51 Å²	51	55 Å²	55	27%	0.267	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-71.3	156.2	179.8	-59.5	-179.5	0	0	0	111.2	T321 G328 S329 R363	T321-L326 HydrophobicContact CG2-CD2 4.23Å; L326-G328 PolarHBondContact O-N 3.46Å; L326-S329 WeakPolarHBondContact O-CB 2.97Å; L326-S329 PolarHBondContact O-N 3.45Å; L326-S329 VanDerWaalsContact O-N 3.13Å; L326-S329 PolarHBondContact O-OG 2.83Å; L326-R363 HydrophobicContact CD2-CB 4.46Å
327	L	85.8	Confident	83.7	Confident	34 Å²	34	57 Å²	57	18%	0.178	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	126.8	177.2	-173.8	70.4	0	0	0	110.4	L272 P336 L339 I340 Y359	L272-L327 HydrophobicContact CD1-CB 4.47Å; L272-L327 HydrophobicContact CD1-CD2 3.77Å; L327-P336 HydrophobicContact CD2-CB 4.42Å; L327-L339 HydrophobicContact CD1-CB 4.39Å; L327-L339 HydrophobicContact CD1-CD1 4.14Å; L327-L339 HydrophobicContact CD2-CB 4.21Å; L327-L339 HydrophobicContact CG-CB 4.35Å; L327-L339 HydrophobicContact CG-CD1 4.04Å; L327-I340 HydrophobicContact CD2-CD1 4.05Å; L327-I340 HydrophobicContact CD2-CG1 3.6Å; L327-Y359 HydrophobicContact CB-CD1 4.28Å; L327-Y359 HydrophobicContact CB-CE1 3.68Å; L327-Y359 HydrophobicContact CB-CE2 4.06Å; L327-Y359 HydrophobicContact CD2-CD2 4.34Å; L327-Y359 HydrophobicContact CD2-CG 4.43Å; L327-Y359 PolarHBondContact N-OH 2.74Å
328	G	81.4	Confident	83.3	Confident	18 Å²	18	62.1 Å²	62.1	19%	0.186	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	-1.4	-180	0	0	0	0	0	115.1	L326 D330 H331	L326-G328 PolarHBondContact O-N 3.46Å; G328-D330 VanDerWaalsContact C-N 3.3Å; G328-D330 PolarHBondContact O-N 3Å; G328-H331 CarbonylContact O-C 3.53Å; G328-H331 PolarHBondContact O-N 2.92Å
329	S	80.3	Confident	83.1	Confident	53 Å²	53	63.8 Å²	63.8	37%	0.371	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.2	177.3	58.3	0	0	0	0	113.8	Q325 L326 H331	Q325-S329 WeakPolarHBondContact CB-OG 3.42Å; Q325-S329 PolarHBondContact OE1-OG 3.15Å; L326-S329 WeakPolarHBondContact O-CB 2.97Å; L326-S329 PolarHBondContact O-N 3.45Å; L326-S329 VanDerWaalsContact O-N 3.13Å; L326-S329 PolarHBondContact O-OG 2.83Å; S329-H331 VanDerWaalsContact C-N 3.32Å
330	D	73.8	Confident	83	Confident	117 Å²	117	63.6 Å²	63.6	63%	0.626	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-20.4	-178.2	-60.6	-42.4	0	0	0	112.9	Q325 G328	Q325-D330 PolarHBondContact OE1-OD1 3.41Å; Q325-D330 VanDerWaalsContact OE1-OD1 3.09Å; G328-D330 VanDerWaalsContact C-N 3.3Å; G328-D330 PolarHBondContact O-N 3Å
331	H	73.9	Confident	83	Confident	113 Å²	113	68 Å²	68	52%	0.523	37%	0.37	S	S	.	.			trans	-136.2	77.4	-175.3	-64.4	-53.2	0	0	0	110.5	G328 S329 S333 E334	G328-H331 CarbonylContact O-C 3.53Å; G328-H331 PolarHBondContact O-N 2.92Å; S329-H331 VanDerWaalsContact C-N 3.32Å; H331-S333 PolarHBondContact O-N 3.06Å; H331-E334 HydrophobicContact CB-CB 4.33Å; H331-E334 HydrophobicContact CB-CG 4.32Å; H331-E334 PolarHBondContact O-N 2.77Å
332	P	66.3	Low	83.1	Confident	122 Å²	122	70 Å²	70	79%	0.792	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.9	-173.6	22.7	-32.3	0	0	0	114.4	E334	P332-E334 VanDerWaalsContact C-N 3.3Å
333	S	71.9	Confident	83.4	Confident	112 Å²	112	73.5 Å²	73.5	78%	0.783	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16	172.3	55.3	0	0	0	0	113.6	H331	H331-S333 PolarHBondContact O-N 3.06Å
334	E	76.6	Confident	84	Confident	67 Å²	67	66.8 Å²	66.8	31%	0.313	36%	0.358	S	S	.	.	S	Bend	trans	-101.5	124.4	-179.1	-65.5	-163.6	149.8	0	0	111.4	H331 P332 L339	H331-E334 HydrophobicContact CB-CB 4.33Å; H331-E334 HydrophobicContact CB-CG 4.32Å; H331-E334 PolarHBondContact O-N 2.77Å; P332-E334 VanDerWaalsContact C-N 3.3Å; E334-L339 VanDerWaalsContact OE2-CD2 3.27Å; E334-L339 WeakPolarHBondContact OE2-CD2 3.47Å
335	V	86.8	Confident	84.4	Confident	92 Å²	92	72 Å²	72	56%	0.558	38%	0.375	S	S	*	.			trans	-71.1	129	177.8	-157.9	0	0	0	0	109.1	E337 K338 L339	V335-E337 WeakPolarHBondContact CG1-OE2 3.16Å; V335-E337 PolarHBondContact O-N 3.08Å; V335-E337 VanDerWaalsContact O-N 3.1Å; V335-K338 VanDerWaalsContact O-CB 3.32Å; V335-K338 WeakPolarHBondContact O-CB 3.24Å; V335-K338 PolarHBondContact O-N 2.97Å; V335-L339 PolarHBondContact O-N 3.44Å
336	P	88.3	Confident	84.9	Confident	34 Å²	34	75.1 Å²	75.1	22%	0.221	39%	0.386	C	S	.	.	H	α-helix	trans	-53.7	-32.9	-176.5	-29.9	36.4	0	0	0	114.9	L327 K338 L339 I340 Y359	L327-P336 HydrophobicContact CD2-CB 4.42Å; P336-K338 VanDerWaalsContact C-N 3.29Å; P336-K338 PolarHBondContact O-N 2.92Å; P336-L339 WeakPolarHBondContact O-CB 3.09Å; P336-L339 PolarHBondContact O-N 3.43Å; P336-I340 PolarHBondContact O-N 3.18Å; P336-Y359 HydrophobicContact CB-CD1 3.53Å; P336-Y359 HydrophobicContact CB-CE1 4.4Å; P336-Y359 HydrophobicContact CB-CG 4.01Å; P336-Y359 HydrophobicContact CG-CD1 4.1Å
337	E	90.2	Very high	85	Confident	43 Å²	43	75.9 Å²	75.9	20%	0.201	39%	0.391	C	S	.	.	H	α-helix	trans	-59.7	-37.7	175	-74	71.1	-160.9	0	0	112.2	V335 I340 Q341 I357 Y359	V335-E337 WeakPolarHBondContact CG1-OE2 3.16Å; V335-E337 PolarHBondContact O-N 3.08Å; V335-E337 VanDerWaalsContact O-N 3.1Å; E337-I340 PolarHBondContact O-N 2.76Å; E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.47Å; E337-Q341 PolarHBondContact O-N 3.4Å; E337-I357 WeakPolarHBondContact CG-O 3.47Å; E337-Y359 PolarHBondContact OE1-N 3.04Å
338	K	89.4	Confident	85.1	Confident	107 Å²	107	76.6 Å²	76.6	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-42.3	176.1	-172.8	-177.1	175.8	-168.8	0	110.9	V335 P336 I340 Q341 D342	V335-K338 VanDerWaalsContact O-CB 3.32Å; V335-K338 WeakPolarHBondContact O-CB 3.24Å; V335-K338 PolarHBondContact O-N 2.97Å; P336-K338 VanDerWaalsContact C-N 3.29Å; P336-K338 PolarHBondContact O-N 2.92Å; K338-I340 VanDerWaalsContact C-N 3.3Å; K338-I340 PolarHBondContact O-N 2.72Å; K338-Q341 PolarHBondContact O-N 2.81Å; K338-D342 PolarHBondContact O-N 3.12Å
339	L	90.6	Very high	85.3	Confident	35 Å²	35	79 Å²	79	18%	0.183	41%	0.41	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176.1	-68.8	173.9	0	0	0	111.7	L327 E334 V335 P336 D342 R343	L327-L339 HydrophobicContact CD1-CB 4.39Å; L327-L339 HydrophobicContact CD1-CD1 4.14Å; L327-L339 HydrophobicContact CD2-CB 4.21Å; L327-L339 HydrophobicContact CG-CB 4.35Å; L327-L339 HydrophobicContact CG-CD1 4.04Å; E334-L339 VanDerWaalsContact OE2-CD2 3.27Å; E334-L339 WeakPolarHBondContact OE2-CD2 3.47Å; V335-L339 PolarHBondContact O-N 3.44Å; P336-L339 WeakPolarHBondContact O-CB 3.09Å; P336-L339 PolarHBondContact O-N 3.43Å; L339-D342 PolarHBondContact O-N 3.32Å; L339-R343 VanDerWaalsContact O-CG 3.27Å; L339-R343 WeakPolarHBondContact O-CG 3.06Å; L339-R343 PolarHBondContact O-N 2.94Å
340	I	92.4	Very high	85.4	Confident	2 Å²	2	82.3 Å²	82.3	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-63.3	-47.6	175.7	-73	174.4	0	0	0	110.9	F277 I317 L327 P336 E337 K338 D342 R343 F344 I357 Y359	F277-I340 HydrophobicContact CE1-CG2 4.08Å; I317-I340 HydrophobicContact CD1-CD1 3.94Å; I317-I340 HydrophobicContact CD1-CG2 4.3Å; L327-I340 HydrophobicContact CD2-CD1 4.05Å; L327-I340 HydrophobicContact CD2-CG1 3.6Å; P336-I340 PolarHBondContact O-N 3.18Å; E337-I340 PolarHBondContact O-N 2.76Å; K338-I340 VanDerWaalsContact C-N 3.3Å; K338-I340 PolarHBondContact O-N 2.72Å; I340-D342 VanDerWaalsContact C-N 3.32Å; I340-D342 PolarHBondContact O-N 3.48Å; I340-R343 WeakPolarHBondContact O-CB 3.43Å; I340-R343 PolarHBondContact O-N 3.13Å; I340-R343 VanDerWaalsContact O-N 3.15Å; I340-F344 HydrophobicContact CG2-CD2 3.79Å; I340-F344 HydrophobicContact CG2-CE2 3.6Å; I340-F344 VanDerWaalsContact O-CD2 3.29Å; I340-F344 WeakPolarHBondContact O-CD2 3.36Å; I340-F344 PolarHBondContact O-N 2.85Å; I340-I357 HydrophobicContact CG2-CG2 4.1Å; I340-Y359 HydrophobicContact CD1-CD2 3.98Å; I340-Y359 HydrophobicContact CD1-CG 4.08Å
341	Q	90.6	Very high	86	Confident	101 Å²	101	78.1 Å²	78.1	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-59.7	-42.7	177.1	-71.1	174.5	12.1	0	0	111.9	E337 K338 R343 F344 R345	E337-Q341 VanDerWaalsContact O-CG 3.31Å; E337-Q341 WeakPolarHBondContact O-CG 3.47Å; E337-Q341 PolarHBondContact O-N 3.4Å; K338-Q341 PolarHBondContact O-N 2.81Å; Q341-R343 VanDerWaalsContact C-N 3.3Å; Q341-R343 PolarHBondContact O-N 3.43Å; Q341-F344 WeakPolarHBondContact O-CB 3.21Å; Q341-F344 PolarHBondContact O-N 2.73Å; Q341-R345 WeakPolarHBondContact O-CG 3.2Å; Q341-R345 PolarHBondContact O-N 3.25Å
342	D	90.3	Very high	86.6	Confident	41 Å²	41	78 Å²	78	22%	0.219	40%	0.396	C	S	.	.	H	α-helix	trans	-64.6	-35	177.3	-71.2	-16.5	0	0	0	111.7	K338 L339 I340 R345 K346	K338-D342 PolarHBondContact O-N 3.12Å; L339-D342 PolarHBondContact O-N 3.32Å; I340-D342 VanDerWaalsContact C-N 3.32Å; I340-D342 PolarHBondContact O-N 3.48Å; D342-R345 PolarHBondContact O-N 3.34Å; D342-R345 IonicContact OD1-CZ 3.32Å; D342-R345 IonicContact OD1-NH1 3.77Å; D342-R345 PolarHBondContact OD1-NH1 3.41Å; D342-R345 IonicContact OD1-NH2 3.47Å; D342-K346 WeakPolarHBondContact O-CB 3.42Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.39Å; D342-K346 PolarHBondContact O-N 3.48Å
343	R	91	Very high	87.6	Confident	116 Å²	116	72.2 Å²	72.2	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-43.6	173.2	-69.2	-135.3	-175.7	-132.9	-0.4	112.5	F277 L339 I340 Q341 R345 K346 L347	F277-R343 HydrophobicContact CD1-CB 4.05Å; F277-R343 HydrophobicContact CE1-CB 3.53Å; F277-R343 HydrophobicContact CE1-CG 4.39Å; F277-R343 HydrophobicContact CE2-CB 4.34Å; F277-R343 HydrophobicContact CZ-CB 3.71Å; F277-R343 HydrophobicContact CZ-CG 4.12Å; L339-R343 VanDerWaalsContact O-CG 3.27Å; L339-R343 WeakPolarHBondContact O-CG 3.06Å; L339-R343 PolarHBondContact O-N 2.94Å; I340-R343 WeakPolarHBondContact O-CB 3.43Å; I340-R343 PolarHBondContact O-N 3.13Å; I340-R343 VanDerWaalsContact O-N 3.15Å; Q341-R343 VanDerWaalsContact C-N 3.3Å; Q341-R343 PolarHBondContact O-N 3.43Å; R343-R345 VanDerWaalsContact C-N 3.35Å; R343-R345 PolarHBondContact O-N 2.97Å; R343-K346 PolarHBondContact O-N 2.98Å; R343-L347 WeakPolarHBondContact O-CG 3.45Å; R343-L347 PolarHBondContact O-N 2.7Å; R343-L347 VanDerWaalsContact O-N 3.1Å
344	F	92.7	Very high	88.4	Confident	3 Å²	3	67.4 Å²	67.4	1%	0.013	32%	0.324	C	S	.	.	H	α-helix	trans	-55.9	-49.3	173.2	-86.5	-67.5	0	0	0	111.4	F277 L280 I340 Q341 K346 L347 G348 R349 P351 I357	F277-F344 HydrophobicContact CB-CD1 4.3Å; F277-F344 HydrophobicContact CB-CE1 4.07Å; F277-F344 HydrophobicContact CD1-CD1 4.02Å; F277-F344 AromaticContact CD1-CD2 3.79Å; F277-F344 HydrophobicContact CD1-CD2 3.79Å; F277-F344 AromaticContact CD1-CE1 3.94Å; F277-F344 HydrophobicContact CD1-CE1 3.94Å; F277-F344 AromaticContact CD1-CE2 3.71Å; F277-F344 HydrophobicContact CD1-CE2 3.71Å; F277-F344 AromaticContact CD1-CG 3.94Å; F277-F344 HydrophobicContact CD1-CG 3.94Å; F277-F344 AromaticContact CD1-CZ 3.78Å; F277-F344 HydrophobicContact CD1-CZ 3.78Å; F277-F344 HydrophobicContact CE1-CD2 4.14Å; F277-F344 HydrophobicContact CE1-CE2 4.08Å; F277-F344 WeakPolarHBondContact O-CE1 3.42Å; L280-F344 HydrophobicContact CB-CE1 4.12Å; L280-F344 HydrophobicContact CB-CZ 3.87Å; L280-F344 HydrophobicContact CD1-CZ 4.08Å; I340-F344 HydrophobicContact CG2-CD2 3.79Å; I340-F344 HydrophobicContact CG2-CE2 3.6Å; I340-F344 VanDerWaalsContact O-CD2 3.29Å; I340-F344 WeakPolarHBondContact O-CD2 3.36Å; I340-F344 PolarHBondContact O-N 2.85Å; Q341-F344 WeakPolarHBondContact O-CB 3.21Å; Q341-F344 PolarHBondContact O-N 2.73Å; F344-K346 PolarHBondContact O-N 2.81Å; F344-L347 PolarHBondContact O-N 3.17Å; F344-L347 VanDerWaalsContact O-N 3.14Å; F344-G348 PolarHBondContact O-N 2.87Å; F344-R349 CarbonylContact C-O 3.2Å; F344-R349 WeakPolarHBondContact CB-O 3.4Å; F344-R349 HydrophobicContact CD1-CB 4.16Å; F344-R349 PolarHBondContact O-N 3.49Å; F344-P351 HydrophobicContact CD1-CB 4.37Å; F344-P351 HydrophobicContact CD1-CG 4.03Å; F344-P351 HydrophobicContact CD2-CG 3.89Å; F344-P351 HydrophobicContact CE1-CB 4.03Å; F344-P351 HydrophobicContact CE1-CG 4.08Å; F344-P351 HydrophobicContact CE2-CB 4.44Å; F344-P351 HydrophobicContact CE2-CG 3.95Å; F344-P351 HydrophobicContact CG-CG 3.94Å; F344-P351 HydrophobicContact CZ-CB 4.07Å; F344-P351 HydrophobicContact CZ-CG 4.04Å; F344-I357 HydrophobicContact CE2-CD1 3.77Å; F344-I357 HydrophobicContact CZ-CD1 4.12Å
345	R	90.1	Very high	89	Confident	137 Å²	137	66.6 Å²	66.6	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-43.7	177.6	-67.4	-173.5	-140.4	128.2	10.8	112.7	Q341 D342 R343 L347 G348 F350	Q341-R345 WeakPolarHBondContact O-CG 3.2Å; Q341-R345 PolarHBondContact O-N 3.25Å; D342-R345 PolarHBondContact O-N 3.34Å; D342-R345 IonicContact OD1-CZ 3.32Å; D342-R345 IonicContact OD1-NH1 3.77Å; D342-R345 PolarHBondContact OD1-NH1 3.41Å; D342-R345 IonicContact OD1-NH2 3.47Å; R343-R345 VanDerWaalsContact C-N 3.35Å; R343-R345 PolarHBondContact O-N 2.97Å; R345-L347 PolarHBondContact O-N 3.09Å; R345-G348 PolarHBondContact O-N 3.33Å; R345-F350 HydrophobicContact CG-CE1 4.3Å
346	K	91.7	Very high	89.2	Confident	179 Å²	179	63.7 Å²	63.7	78%	0.778	31%	0.309	S	S	*	.	H	α-helix	trans	-61.1	-31.6	177.1	-77.1	173.8	-177.1	177.5	0	113	D342 R343 F344 G348	D342-K346 WeakPolarHBondContact O-CB 3.42Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.39Å; D342-K346 PolarHBondContact O-N 3.48Å; R343-K346 PolarHBondContact O-N 2.98Å; F344-K346 PolarHBondContact O-N 2.81Å; K346-G348 VanDerWaalsContact C-N 3.31Å
347	L	90.6	Very high	89.5	Confident	68 Å²	68	63.3 Å²	63.3	36%	0.356	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.8	177.6	-66.5	173.3	0	0	0	113.2	N274 F277 R343 F344 R345 R349	N274-L347 HydrophobicContact CB-CD1 4.45Å; F277-L347 HydrophobicContact CB-CD1 3.46Å; F277-L347 VanDerWaalsContact CB-CD1 3.46Å; F277-L347 HydrophobicContact CD2-CD1 4.26Å; F277-L347 HydrophobicContact CG-CD1 3.94Å; R343-L347 WeakPolarHBondContact O-CG 3.45Å; R343-L347 PolarHBondContact O-N 2.7Å; R343-L347 VanDerWaalsContact O-N 3.1Å; F344-L347 PolarHBondContact O-N 3.17Å; F344-L347 VanDerWaalsContact O-N 3.14Å; R345-L347 PolarHBondContact O-N 3.09Å; L347-R349 HydrophobicContact CB-CG 4.37Å; L347-R349 PolarHBondContact O-N 2.77Å
348	G	88.4	Confident	89.6	Confident	49 Å²	49	64.3 Å²	64.3	51%	0.505	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	27.1	-176.4	0	0	0	0	0	113.2	F344 R345 K346	F344-G348 PolarHBondContact O-N 2.87Å; R345-G348 PolarHBondContact O-N 3.33Å; K346-G348 VanDerWaalsContact C-N 3.31Å
349	R	85.4	Confident	89.9	Confident	68 Å²	68	60.2 Å²	60.2	26%	0.257	29%	0.291	S	S	.	.			trans	-116.2	138	-179.8	-64.1	-57.6	-169.2	151.3	17.4	109.8	D282 E285 F344 L347	D282-R349 IonicContact OD1-CZ 3.84Å; D282-R349 IonicContact OD1-NH1 3.6Å; D282-R349 PolarHBondContact OD1-NH1 3.44Å; D282-R349 IonicContact OD1-NH2 3.8Å; D282-R349 PolarHBondContact OD1-NH2 3.24Å; D282-R349 IonicContact OD2-NH2 3.7Å; E285-R349 IonicContact OE2-NH1 3.69Å; E285-R349 PolarHBondContact OE2-NH1 2.88Å; F344-R349 CarbonylContact C-O 3.2Å; F344-R349 WeakPolarHBondContact CB-O 3.4Å; F344-R349 HydrophobicContact CD1-CB 4.16Å; F344-R349 PolarHBondContact O-N 3.49Å; L347-R349 HydrophobicContact CB-CG 4.37Å; L347-R349 PolarHBondContact O-N 2.77Å
350	F	83.3	Confident	90.1	Very high	122 Å²	122	61.9 Å²	61.9	54%	0.535	30%	0.297	S	S	.	.			trans	-125.9	110.3	-177.5	-57.3	-81.9	0	0	0	109.4	S284 R345 E352	S284-F350 PolarHBondContact OG-O 3.28Å; R345-F350 HydrophobicContact CG-CE1 4.3Å; F350-E352 HydrophobicContact CB-CG 3.97Å; F350-E352 PolarHBondContact O-N 2.66Å
351	P	85.6	Confident	90	Very high	29 Å²	29	62.4 Å²	62.4	19%	0.188	30%	0.303	C	S	.	.			trans	-83.3	51.9	-175.4	37	-38.4	0	0	0	111.4	S284 F344 A353 F354 I357	S284-P351 VanDerWaalsContact OG-C 3.25Å; S284-P351 WeakPolarHBondContact OG-CA 3.44Å; F344-P351 HydrophobicContact CD1-CB 4.37Å; F344-P351 HydrophobicContact CD1-CG 4.03Å; F344-P351 HydrophobicContact CD2-CG 3.89Å; F344-P351 HydrophobicContact CE1-CB 4.03Å; F344-P351 HydrophobicContact CE1-CG 4.08Å; F344-P351 HydrophobicContact CE2-CB 4.44Å; F344-P351 HydrophobicContact CE2-CG 3.95Å; F344-P351 HydrophobicContact CG-CG 3.94Å; F344-P351 HydrophobicContact CZ-CB 4.07Å; F344-P351 HydrophobicContact CZ-CG 4.04Å; P351-A353 PolarHBondContact O-N 2.88Å; P351-F354 HydrophobicContact CB-CD2 3.94Å; P351-F354 HydrophobicContact CB-CE2 4.33Å; P351-F354 PolarHBondContact O-N 3.4Å; P351-I357 HydrophobicContact CB-CD1 3.63Å; P351-I357 HydrophobicContact CG-CD1 3.5Å; P351-I357 VanDerWaalsContact CG-CD1 3.5Å
352	E	86.8	Confident	90	Very high	111 Å²	111	58.6 Å²	58.6	52%	0.519	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21	-173	-68.2	-177.4	165.9	0	0	113.6	S284 L288 S309 F350 F354	S284-E352 PolarHBondContact OG-N 2.81Å; L288-E352 HydrophobicContact CD1-CB 3.79Å; S309-E352 CarbonylContact C-O 3.51Å; S309-E352 WeakPolarHBondContact CA-O 3.24Å; S309-E352 WeakPolarHBondContact CB-O 3.4Å; F350-E352 HydrophobicContact CB-CG 3.97Å; F350-E352 PolarHBondContact O-N 2.66Å; E352-F354 PolarHBondContact O-N 3.16Å
353	A	86.3	Confident	89.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	177.9	0	0	0	0	0	113.5	S284 Y287 L288 G312 P351	S284-A353 WeakPolarHBondContact OG-CB 3.42Å; S284-A353 PolarHBondContact OG-N 3.45Å; Y287-A353 HydrophobicContact CD1-CB 3.68Å; Y287-A353 HydrophobicContact CG-CB 4.02Å; L288-A353 HydrophobicContact CD2-CB 4.47Å; L288-A353 HydrophobicContact CG-CB 4.1Å; G312-A353 WeakPolarHBondContact CA-O 3.23Å; G312-A353 PolarHBondContact N-O 3.14Å; P351-A353 PolarHBondContact O-N 2.88Å
354	F	90.3	Very high	89.5	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	27%	0.273	C	S	.	.	S	Bend	trans	-96.2	132.9	-173.7	-52.8	-54	0	0	0	110.9	L257 L280 A283 S309 P313 V315 P351 E352 S356 I357	L257-F354 HydrophobicContact CD1-CE1 4.4Å; L257-F354 HydrophobicContact CD2-CE1 3.88Å; L280-F354 HydrophobicContact CB-CE2 4.2Å; L280-F354 HydrophobicContact CD2-CE2 4.15Å; L280-F354 HydrophobicContact CD2-CZ 4.29Å; L280-F354 WeakPolarHBondContact O-CE2 3.17Å; A283-F354 HydrophobicContact CB-CZ 4.28Å; S309-F354 CarbonylContact O-C 3.6Å; P313-F354 HydrophobicContact CG-CD1 4.13Å; P313-F354 HydrophobicContact CG-CE1 4.44Å; P313-F354 WeakPolarHBondContact O-CA 3.34Å; V315-F354 HydrophobicContact CG2-CB 3.92Å; V315-F354 HydrophobicContact CG2-CD1 3.54Å; V315-F354 HydrophobicContact CG2-CD2 3.88Å; V315-F354 HydrophobicContact CG2-CE1 4Å; V315-F354 HydrophobicContact CG2-CE2 4.31Å; V315-F354 HydrophobicContact CG2-CG 3.48Å; V315-F354 VanDerWaalsContact CG2-CG 3.48Å; V315-F354 HydrophobicContact CG2-CZ 4.37Å; P351-F354 HydrophobicContact CB-CD2 3.94Å; P351-F354 HydrophobicContact CB-CE2 4.33Å; P351-F354 PolarHBondContact O-N 3.4Å; E352-F354 PolarHBondContact O-N 3.16Å; F354-S356 PolarHBondContact O-N 3.04Å; F354-I357 HydrophobicContact CB-CG1 4.34Å; F354-I357 HydrophobicContact CD2-CD1 4.22Å; F354-I357 HydrophobicContact CD2-CG1 4.49Å
355	S	88.5	Confident	88.6	Confident	49 Å²	49	62.2 Å²	62.2	34%	0.343	30%	0.299	S	S	.	.	S	Bend	trans	-65.4	-28.3	-179.3	54.6	0	0	0	0	112.8	G312 P313 A314	G312-S355 WeakPolarHBondContact O-CB 3.25Å; G312-S355 PolarHBondContact O-OG 2.76Å; G312-S355 VanDerWaalsContact O-OG 3.14Å; P313-S355 PolarHBondContact O-N 2.88Å; P313-S355 VanDerWaalsContact O-N 3.14Å; P313-S355 PolarHBondContact O-OG 3.33Å; A314-S355 PolarHBondContact N-OG 3.46Å
356	S	91.4	Very high	87.9	Confident	31 Å²	31	62.3 Å²	62.3	22%	0.217	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	155.3	174.8	53.4	0	0	0	0	110.8	A314 V315 F354 H358	A314-S356 VanDerWaalsContact CB-OG 3.26Å; A314-S356 WeakPolarHBondContact CB-OG 3.23Å; V315-S356 PolarHBondContact N-O 3.47Å; F354-S356 PolarHBondContact O-N 3.04Å; S356-H358 PolarHBondContact OG-NE2 2.9Å
357	I	93.3	Very high	87.1	Confident	26 Å²	26	59.2 Å²	59.2	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.8	171.5	-58.5	179.2	0	0	0	108.2	V315 I317 E337 I340 F344 P351 F354	V315-I357 HydrophobicContact CB-CG1 4.28Å; V315-I357 CarbonylContact O-C 3.59Å; V315-I357 WeakPolarHBondContact O-CA 3.27Å; I317-I357 HydrophobicContact CD1-CG2 3.66Å; I317-I357 HydrophobicContact CG1-CG2 4.31Å; E337-I357 WeakPolarHBondContact CG-O 3.47Å; I340-I357 HydrophobicContact CG2-CG2 4.1Å; F344-I357 HydrophobicContact CE2-CD1 3.77Å; F344-I357 HydrophobicContact CZ-CD1 4.12Å; P351-I357 HydrophobicContact CB-CD1 3.63Å; P351-I357 HydrophobicContact CG-CD1 3.5Å; P351-I357 VanDerWaalsContact CG-CD1 3.5Å; F354-I357 HydrophobicContact CB-CG1 4.34Å; F354-I357 HydrophobicContact CD2-CD1 4.22Å; F354-I357 HydrophobicContact CD2-CG1 4.49Å
358	H	94.1	Very high	86.5	Confident	65 Å²	65	60.9 Å²	60.9	30%	0.301	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.6	-179.5	-69.3	-83.7	0	0	0	110.8	V315 I316 I317 S356	V315-H358 PolarHBondContact O-N 3.3Å; I316-H358 CarbonylContact C-O 3.47Å; I316-H358 WeakPolarHBondContact CA-O 3.29Å; I316-H358 HydrophobicContact CG1-CB 4.26Å; I317-H358 PolarHBondContact N-O 2.9Å; S356-H358 PolarHBondContact OG-NE2 2.9Å
359	Y	94.7	Very high	86.4	Confident	21 Å²	21	59.3 Å²	59.3	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.9	173.5	179.9	-111.2	0	0	0	110.6	L272 I317 H319 L327 P336 E337 I340 G361	L272-Y359 HydrophobicContact CD1-CD2 4.36Å; L272-Y359 HydrophobicContact CD1-CE2 4.05Å; I317-Y359 HydrophobicContact CG2-CD2 4.32Å; H319-Y359 HydrophobicContact CB-CE2 3.55Å; H319-Y359 AromaticContact ND1-CE2 3.72Å; H319-Y359 AromaticContact ND1-CZ 3.8Å; H319-Y359 PolarHBondContact ND1-OH 2.79Å; L327-Y359 HydrophobicContact CB-CD1 4.28Å; L327-Y359 HydrophobicContact CB-CE1 3.68Å; L327-Y359 HydrophobicContact CB-CE2 4.06Å; L327-Y359 HydrophobicContact CD2-CD2 4.34Å; L327-Y359 HydrophobicContact CD2-CG 4.43Å; L327-Y359 PolarHBondContact N-OH 2.74Å; P336-Y359 HydrophobicContact CB-CD1 3.53Å; P336-Y359 HydrophobicContact CB-CE1 4.4Å; P336-Y359 HydrophobicContact CB-CG 4.01Å; P336-Y359 HydrophobicContact CG-CD1 4.1Å; E337-Y359 PolarHBondContact OE1-N 3.04Å; I340-Y359 HydrophobicContact CD1-CD2 3.98Å; I340-Y359 HydrophobicContact CD1-CG 4.08Å; Y359-G361 WeakPolarHBondContact OH-CA 3.43Å
360	K	94.4	Very high	86.4	Confident	70 Å²	70	60.4 Å²	60.4	30%	0.304	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	103.1	165.9	-166	69.8	-163	177.3	0	111.5	I316 I317 F318 H319 G373	I316-K360 HydrophobicContact CG2-CB 4.06Å; I317-K360 PolarHBondContact O-N 3.45Å; F318-K360 WeakPolarHBondContact CA-O 3.38Å; F318-K360 HydrophobicContact CD2-CB 4.32Å; F318-K360 HydrophobicContact CD2-CG 4.36Å; F318-K360 WeakPolarHBondContact CD2-O 3.46Å; H319-K360 PolarHBondContact N-O 2.83Å; K360-G373 VanDerWaalsContact CE-C 3.45Å; K360-G373 VanDerWaalsContact CE-CA 3.45Å; K360-G373 WeakPolarHBondContact CE-O 3.3Å
361	G	90.8	Very high	86.7	Confident	13 Å²	13	55 Å²	55	13%	0.134	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	142.7	172.3	0	0	0	0	0	112.9	H319 Y359	H319-G361 CarbonylContact O-C 3.38Å; H319-G361 VanDerWaalsContact O-CA 3.26Å; H319-G361 WeakPolarHBondContact O-CA 3.27Å; Y359-G361 WeakPolarHBondContact OH-CA 3.43Å
362	T	90.1	Very high	86.7	Confident	20 Å²	20	55.5 Å²	55.5	12%	0.123	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.8	164	-164.7	0	0	0	0	109.6	F318 H319 E320 T321 T369 D370	F318-T362 HydrophobicContact CE2-CG2 3.8Å; F318-T362 HydrophobicContact CZ-CG2 3.72Å; H319-T362 PolarHBondContact O-N 3.39Å; E320-T362 WeakPolarHBondContact CA-O 3.4Å; E320-T362 HydrophobicContact CB-CG2 4.04Å; E320-T362 HydrophobicContact CG-CG2 4.06Å; T321-T362 PolarHBondContact N-O 3.21Å; T362-T369 HydrophobicContact CG2-CG2 3.63Å; T362-D370 PolarHBondContact OG1-O 3.03Å
363	R	86.8	Confident	86.8	Confident	78 Å²	78	50.7 Å²	50.7	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	114.6	178.6	-172.3	169.4	176.5	-169.1	4.9	109.7	T321 V322 H323 T324 L326 Y365	T321-R363 CarbonylContact O-C 3.55Å; T321-R363 VanDerWaalsContact O-CA 3.31Å; T321-R363 WeakPolarHBondContact O-CA 3.39Å; V322-R363 PolarHBondContact O-NE 3.36Å; V322-R363 PolarHBondContact O-NH2 2.97Å; H323-R363 PolarHBondContact O-NH2 3.3Å; T324-R363 WeakPolarHBondContact O-CD 3.4Å; L326-R363 HydrophobicContact CD2-CB 4.46Å; R363-Y365 HydrophobicContact CB-CE2 4.24Å; R363-Y365 VanDerWaalsContact CD-OH 3.27Å; R363-Y365 WeakPolarHBondContact CD-OH 3.36Å; R363-Y365 HydrophobicContact CG-CD2 4.28Å; R363-Y365 HydrophobicContact CG-CE1 4.28Å; R363-Y365 HydrophobicContact CG-CE2 3.79Å; R363-Y365 VanDerWaalsContact CZ-CZ 3.45Å; R363-Y365 PolarHBondContact NE-OH 3.34Å; R363-Y365 PolarHBondContact NH1-OH 2.94Å
364	T	83.6	Confident	87.1	Confident	12 Å²	12	50.8 Å²	50.8	7%	0.074	28%	0.276	C	S	.	.			trans	-102.6	96.9	-175.4	-54.3	0	0	0	0	109.6	E320 T321 T369	E320-T364 WeakPolarHBondContact OE1-CB 3.41Å; E320-T364 PolarHBondContact OE1-OG1 2.78Å; T321-T364 PolarHBondContact O-N 3.03Å; T364-T369 WeakPolarHBondContact OG1-CG2 3.11Å
365	Y	75.4	Confident	87.2	Confident	146 Å²	146	53.8 Å²	53.8	57%	0.573	29%	0.287	S	S	*	.	S	Bend	trans	-78.8	-41.9	174.9	-59.6	-88.3	0	0	0	111.8	R363	R363-Y365 HydrophobicContact CB-CE2 4.24Å; R363-Y365 VanDerWaalsContact CD-OH 3.27Å; R363-Y365 WeakPolarHBondContact CD-OH 3.36Å; R363-Y365 HydrophobicContact CG-CD2 4.28Å; R363-Y365 HydrophobicContact CG-CE1 4.28Å; R363-Y365 HydrophobicContact CG-CE2 3.79Å; R363-Y365 VanDerWaalsContact CZ-CZ 3.45Å; R363-Y365 PolarHBondContact NE-OH 3.34Å; R363-Y365 PolarHBondContact NH1-OH 2.94Å
366	N	73.7	Confident	87.2	Confident	139 Å²	139	58.8 Å²	58.8	74%	0.743	30%	0.299	S	S	*	.	S	Bend	trans	-132.9	123.2	177.3	-64.6	-41.8	0	0	0	107.6
367	P	74.8	Confident	87.2	Confident	114 Å²	114	58.2 Å²	58.2	74%	0.74	30%	0.296	S	S	*	.	S	Bend	trans	-56.8	151.7	172.8	-25.2	34.7	0	0	0	112.2
368	P	79.2	Confident	87.2	Confident	104 Å²	104	57.2 Å²	57.2	68%	0.675	29%	0.29	S	S	*	.	S	Bend	cis	-80.7	153.3	4	33	-35.1	0	0	0	113.5
369	T	85.3	Confident	87.1	Confident	16 Å²	16	57.3 Å²	57.3	10%	0.098	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-56.1	137.2	171.1	-47.2	0	0	0	0	111	F318 E320 T362 T364 F371	F318-T369 HydrophobicContact CZ-CG2 4.39Å; E320-T369 VanDerWaalsContact CD-CG2 3.47Å; E320-T369 HydrophobicContact CG-CG2 4.4Å; E320-T369 WeakPolarHBondContact OE1-CB 3.24Å; E320-T369 WeakPolarHBondContact OE1-CG2 3.49Å; E320-T369 PolarHBondContact OE1-OG1 3.13Å; E320-T369 WeakPolarHBondContact OE2-CG2 3.42Å; E320-T369 PolarHBondContact OE2-OG1 3.44Å; T362-T369 HydrophobicContact CG2-CG2 3.63Å; T364-T369 WeakPolarHBondContact OG1-CG2 3.11Å; T369-F371 HydrophobicContact CG2-CD2 4.46Å; T369-F371 HydrophobicContact CG2-CE1 4.13Å; T369-F371 HydrophobicContact CG2-CE2 4.08Å; T369-F371 HydrophobicContact CG2-CZ 3.88Å; T369-F371 WeakPolarHBondContact O-CD2 3.43Å; T369-F371 WeakPolarHBondContact O-CE2 3.44Å; T369-F371 PolarHBondContact O-N 3.25Å
370	D	85.6	Confident	86.8	Confident	90 Å²	90	62.6 Å²	62.6	48%	0.481	32%	0.317	S	S	.	.			trans	-82.2	111.9	170.9	-179.6	20.5	0	0	0	111.4	T362 S372	T362-D370 PolarHBondContact OG1-O 3.03Å; D370-S372 WeakPolarHBondContact OD1-CB 3.47Å; D370-S372 PolarHBondContact OD1-N 3.44Å; D370-S372 PolarHBondContact OD1-OG 2.92Å; D370-S372 PolarHBondContact OD2-OG 2.83Å
371	F	90.7	Very high	86.6	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.035	31%	0.309	C	S	.	.			trans	-95.4	0.6	176.8	-60.5	-87.2	0	0	0	113.5	H195 T196 H199 F318 T369 G373 L374 R375	H195-F371 AromaticContact CE1-CZ 3.78Å; H195-F371 AromaticContact ND1-CZ 3.79Å; T196-F371 HydrophobicContact CG2-CD1 4.33Å; T196-F371 HydrophobicContact CG2-CE1 3.99Å; H199-F371 HydrophobicContact CB-CD1 4.42Å; H199-F371 HydrophobicContact CB-CD2 3.42Å; H199-F371 VanDerWaalsContact CB-CD2 3.42Å; H199-F371 HydrophobicContact CB-CE1 4.39Å; H199-F371 HydrophobicContact CB-CE2 3.38Å; H199-F371 HydrophobicContact CB-CG 3.96Å; H199-F371 HydrophobicContact CB-CZ 3.92Å; H199-F371 AromaticContact CG-CD2 3.96Å; H199-F371 AromaticContact CG-CE2 3.57Å; H199-F371 AromaticContact ND1-CE2 3.97Å; F318-F371 AromaticContact CE1-CD1 3.79Å; F318-F371 HydrophobicContact CE1-CD1 3.79Å; F318-F371 AromaticContact CE1-CE1 3.66Å; F318-F371 HydrophobicContact CE1-CE1 3.66Å; F318-F371 AromaticContact CZ-CD1 3.79Å; F318-F371 HydrophobicContact CZ-CD1 3.79Å; F318-F371 HydrophobicContact CZ-CE1 4Å; T369-F371 HydrophobicContact CG2-CD2 4.46Å; T369-F371 HydrophobicContact CG2-CE1 4.13Å; T369-F371 HydrophobicContact CG2-CE2 4.08Å; T369-F371 HydrophobicContact CG2-CZ 3.88Å; T369-F371 WeakPolarHBondContact O-CD2 3.43Å; T369-F371 WeakPolarHBondContact O-CE2 3.44Å; T369-F371 PolarHBondContact O-N 3.25Å; F371-G373 VanDerWaalsContact C-N 3.26Å; F371-G373 PolarHBondContact O-N 3.12Å; F371-L374 HydrophobicContact CD1-CD2 4.39Å; F371-L374 PolarHBondContact O-N 2.93Å; F371-L374 VanDerWaalsContact O-N 3.1Å; F371-R375 PolarHBondContact O-N 3.08Å
372	S	86.1	Confident	86.6	Confident	40 Å²	40	61 Å²	61	28%	0.28	31%	0.308	S	S	.	.	H	α-helix	trans	-53.6	-44.1	179.8	71.3	0	0	0	0	112.2	D370 L374 R375 R376	D370-S372 WeakPolarHBondContact OD1-CB 3.47Å; D370-S372 PolarHBondContact OD1-N 3.44Å; D370-S372 PolarHBondContact OD1-OG 2.92Å; D370-S372 PolarHBondContact OD2-OG 2.83Å; S372-L374 VanDerWaalsContact C-N 3.34Å; S372-L374 PolarHBondContact O-N 3.5Å; S372-R375 PolarHBondContact O-N 2.76Å; S372-R376 WeakPolarHBondContact O-CG 3.22Å; S372-R376 PolarHBondContact O-N 3.36Å
373	G	88.1	Confident	86.4	Confident	11 Å²	11	66.1 Å²	66.1	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-33.5	179.8	0	0	0	0	0	113.6	K360 F371 A377	K360-G373 VanDerWaalsContact CE-C 3.45Å; K360-G373 VanDerWaalsContact CE-CA 3.45Å; K360-G373 WeakPolarHBondContact CE-O 3.3Å; F371-G373 VanDerWaalsContact C-N 3.26Å; F371-G373 PolarHBondContact O-N 3.12Å; G373-A377 PolarHBondContact O-N 2.82Å
374	L	93.1	Very high	86.3	Confident	1 Å²	1	66 Å²	66	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-72.1	-45.9	174.7	177.3	61.1	0	0	0	110.7	T196 T200 I316 F318 F371 S372 R376 A377 L378	T196-L374 HydrophobicContact CG2-CD2 3.8Å; T200-L374 HydrophobicContact CG2-CD2 4.29Å; T200-L374 HydrophobicContact CG2-CG 4.39Å; I316-L374 HydrophobicContact CD1-CD1 4.34Å; I316-L374 HydrophobicContact CG2-CD1 3.85Å; F318-L374 HydrophobicContact CB-CD1 4.19Å; F318-L374 HydrophobicContact CB-CD2 4.41Å; F318-L374 HydrophobicContact CD1-CD2 3.72Å; F318-L374 HydrophobicContact CD2-CB 4.09Å; F318-L374 HydrophobicContact CD2-CD1 4.13Å; F318-L374 HydrophobicContact CD2-CD2 4.05Å; F318-L374 HydrophobicContact CD2-CG 4.31Å; F318-L374 HydrophobicContact CE1-CD2 3.9Å; F318-L374 HydrophobicContact CE2-CB 3.97Å; F318-L374 HydrophobicContact CE2-CD2 4.25Å; F318-L374 HydrophobicContact CG-CD1 4.18Å; F318-L374 HydrophobicContact CG-CD2 3.8Å; F318-L374 HydrophobicContact CG-CG 4.43Å; F318-L374 HydrophobicContact CZ-CB 4.41Å; F318-L374 HydrophobicContact CZ-CD2 4.18Å; F371-L374 HydrophobicContact CD1-CD2 4.39Å; F371-L374 PolarHBondContact O-N 2.93Å; F371-L374 VanDerWaalsContact O-N 3.1Å; S372-L374 VanDerWaalsContact C-N 3.34Å; S372-L374 PolarHBondContact O-N 3.5Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.44Å; L374-A377 PolarHBondContact O-N 3.06Å; L374-A377 VanDerWaalsContact O-N 3.16Å; L374-L378 HydrophobicContact CD1-CD1 4.11Å; L374-L378 HydrophobicContact CD1-CG 4.29Å; L374-L378 HydrophobicContact CD2-CD1 4.48Å; L374-L378 HydrophobicContact CG-CD1 3.8Å; L374-L378 HydrophobicContact CG-CG 4.45Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.39Å
375	R	91.8	Very high	86.2	Confident	76 Å²	76	66.5 Å²	66.5	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-55.5	-46.9	177.4	-72.8	-176.6	-65.7	175.8	2	112.2	T200 F371 S372 A377 L378 E379	T200-R375 HydrophobicContact CG2-CG 3.89Å; T200-R375 WeakPolarHBondContact O-CD 3.49Å; F371-R375 PolarHBondContact O-N 3.08Å; S372-R375 PolarHBondContact O-N 2.76Å; R375-A377 PolarHBondContact O-N 2.8Å; R375-L378 WeakPolarHBondContact O-CB 3.11Å; R375-L378 PolarHBondContact O-N 3.49Å; R375-E379 WeakPolarHBondContact O-CG 3.06Å; R375-E379 PolarHBondContact O-N 3.4Å
376	R	89.3	Confident	86.1	Confident	154 Å²	154	64.9 Å²	64.9	58%	0.581	34%	0.343	S	S	*	.	H	α-helix	trans	-61.3	-41.7	176.9	-73.3	174.5	57.6	-159.4	-2.2	113.1	S372 L374 L378 Q380	S372-R376 WeakPolarHBondContact O-CG 3.22Å; S372-R376 PolarHBondContact O-N 3.36Å; L374-R376 VanDerWaalsContact C-N 3.35Å; L374-R376 PolarHBondContact O-N 3.44Å; R376-L378 VanDerWaalsContact C-N 3.33Å; R376-Q380 WeakPolarHBondContact O-CG 3.4Å; R376-Q380 PolarHBondContact O-N 3.3Å
377	A	90.9	Very high	85.9	Confident	18 Å²	18	59.2 Å²	59.2	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-66.3	-39	177.3	0	0	0	0	0	111.3	I316 G373 L374 R375 Q380 L381	I316-A377 HydrophobicContact CD1-CB 4.25Å; G373-A377 PolarHBondContact O-N 2.82Å; L374-A377 PolarHBondContact O-N 3.06Å; L374-A377 VanDerWaalsContact O-N 3.16Å; R375-A377 PolarHBondContact O-N 2.8Å; A377-Q380 PolarHBondContact O-N 3.48Å; A377-L381 WeakPolarHBondContact O-CG 3.37Å; A377-L381 PolarHBondContact O-N 3.31Å; A377-L381 VanDerWaalsContact O-N 3.1Å
378	L	93.8	Very high	86.3	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-49	174.8	-77.9	162.2	0	0	0	111.9	V183 T200 F201 L262 I264 I316 L374 R375 R376 Q380 L381 L382	V183-L378 HydrophobicContact CG1-CD2 4.34Å; T200-L378 HydrophobicContact CG2-CD1 3.18Å; F201-L378 HydrophobicContact CE2-CD1 4.37Å; F201-L378 HydrophobicContact CZ-CD1 3.93Å; F201-L378 HydrophobicContact CZ-CD2 4.27Å; L262-L378 HydrophobicContact CD2-CD2 3.34Å; L262-L378 HydrophobicContact CG-CD2 4.13Å; I264-L378 HydrophobicContact CD1-CD1 4.07Å; I264-L378 HydrophobicContact CD1-CD2 3.92Å; I264-L378 HydrophobicContact CG1-CD2 4.13Å; I316-L378 HydrophobicContact CD1-CD2 3.87Å; I316-L378 HydrophobicContact CD1-CG 3.98Å; L374-L378 HydrophobicContact CD1-CD1 4.11Å; L374-L378 HydrophobicContact CD1-CG 4.29Å; L374-L378 HydrophobicContact CD2-CD1 4.48Å; L374-L378 HydrophobicContact CG-CD1 3.8Å; L374-L378 HydrophobicContact CG-CG 4.45Å; L374-L378 WeakPolarHBondContact O-CG 3.48Å; L374-L378 PolarHBondContact O-N 3.39Å; R375-L378 WeakPolarHBondContact O-CB 3.11Å; R375-L378 PolarHBondContact O-N 3.49Å; R376-L378 VanDerWaalsContact C-N 3.33Å; L378-Q380 VanDerWaalsContact C-N 3.29Å; L378-Q380 PolarHBondContact O-N 2.91Å; L378-L381 PolarHBondContact O-N 3.06Å; L378-L382 VanDerWaalsContact O-CB 3.29Å; L378-L382 WeakPolarHBondContact O-CB 3.34Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.14Å; L378-L382 PolarHBondContact O-N 3.24Å
379	E	90.8	Very high	86.6	Confident	68 Å²	68	49.3 Å²	49.3	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-55.2	-46	177.7	-73.2	171.1	166.2	0	0	111.1	H229 R375 L381 L382 E383	H229-E379 IonicContact NE2-OE1 3.59Å; R375-E379 WeakPolarHBondContact O-CG 3.06Å; R375-E379 PolarHBondContact O-N 3.4Å; E379-L381 PolarHBondContact O-N 3.15Å; E379-L382 PolarHBondContact O-N 3.41Å; E379-E383 WeakPolarHBondContact O-CG 3.41Å; E379-E383 PolarHBondContact O-N 3.03Å; E379-E383 VanDerWaalsContact O-N 3.15Å
380	Q	88.5	Confident	86.8	Confident	132 Å²	132	50.4 Å²	50.4	62%	0.617	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-43.1	178.1	-71.7	177.4	-14.4	0	0	113.1	R376 A377 L378 E383	R376-Q380 WeakPolarHBondContact O-CG 3.4Å; R376-Q380 PolarHBondContact O-N 3.3Å; A377-Q380 PolarHBondContact O-N 3.48Å; L378-Q380 VanDerWaalsContact C-N 3.29Å; L378-Q380 PolarHBondContact O-N 2.91Å; Q380-E383 PolarHBondContact O-N 3.49Å
381	L	91	Very high	87	Confident	27 Å²	27	46.2 Å²	46.2	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-76.6	-33.9	-179	-68.3	175.7	0	0	0	112.6	L262 I316 A377 L378 E379 E383 N384	L262-L381 HydrophobicContact CD1-CB 4.25Å; L262-L381 HydrophobicContact CD1-CD1 3.74Å; L262-L381 HydrophobicContact CD2-CB 3.88Å; L262-L381 HydrophobicContact CD2-CD1 4.44Å; I316-L381 HydrophobicContact CD1-CD1 3.55Å; I316-L381 HydrophobicContact CG1-CD1 3.48Å; I316-L381 VanDerWaalsContact CG1-CD1 3.48Å; A377-L381 WeakPolarHBondContact O-CG 3.37Å; A377-L381 PolarHBondContact O-N 3.31Å; A377-L381 VanDerWaalsContact O-N 3.1Å; L378-L381 PolarHBondContact O-N 3.06Å; E379-L381 PolarHBondContact O-N 3.15Å; L381-E383 PolarHBondContact O-N 3.39Å; L381-N384 WeakPolarHBondContact O-CB 3.4Å; L381-N384 PolarHBondContact O-N 3.47Å; L381-N384 VanDerWaalsContact O-N 3.14Å
382	L	90.9	Very high	87.1	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-24.1	174.3	-73.6	173.9	0	0	0	112.1	K181 V183 H229 V231 L262 L378 E379 N384	K181-L382 HydrophobicContact CB-CD2 4.07Å; K181-L382 HydrophobicContact CD-CD2 3.91Å; K181-L382 WeakPolarHBondContact CE-O 3.39Å; K181-L382 PolarHBondContact NZ-O 3.03Å; V183-L382 HydrophobicContact CG2-CD1 4.45Å; V183-L382 HydrophobicContact CG2-CD2 3.77Å; H229-L382 HydrophobicContact CB-CD1 4.35Å; V231-L382 HydrophobicContact CG1-CD1 3.89Å; V231-L382 HydrophobicContact CG1-CD2 3.91Å; L262-L382 HydrophobicContact CD2-CD2 4.29Å; L262-L382 HydrophobicContact CD2-CG 4.21Å; L378-L382 VanDerWaalsContact O-CB 3.29Å; L378-L382 WeakPolarHBondContact O-CB 3.34Å; L378-L382 VanDerWaalsContact O-CG 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.14Å; L378-L382 PolarHBondContact O-N 3.24Å; E379-L382 PolarHBondContact O-N 3.41Å; L382-N384 VanDerWaalsContact C-N 3.33Å
383	E	85.7	Confident	87.5	Confident	128 Å²	128	46.9 Å²	46.9	60%	0.598	23%	0.232	S	C	*	.	H	α-helix	trans	-74.5	-22.4	173.3	-77.1	-179.8	-179.9	0	0	114.1	E379 Q380 L381 N385 K456	E379-E383 WeakPolarHBondContact O-CG 3.41Å; E379-E383 PolarHBondContact O-N 3.03Å; E379-E383 VanDerWaalsContact O-N 3.15Å; Q380-E383 PolarHBondContact O-N 3.49Å; L381-E383 PolarHBondContact O-N 3.39Å; E383-N385 PolarHBondContact O-N 2.83Å; E383-K456 PolarHBondContact O-NZ 3.31Å
384	N	83.9	Confident	87.6	Confident	77 Å²	77	46.4 Å²	46.4	41%	0.412	23%	0.226	S	C	.	.			trans	-75	113.9	-178.4	-176.7	1.7	0	0	0	111.6	K181 L381 L382 T386	K181-N384 PolarHBondContact NZ-O 3.38Å; L381-N384 WeakPolarHBondContact O-CB 3.4Å; L381-N384 PolarHBondContact O-N 3.47Å; L381-N384 VanDerWaalsContact O-N 3.14Å; L382-N384 VanDerWaalsContact C-N 3.33Å; N384-T386 WeakPolarHBondContact OD1-CG2 3.24Å; N384-T386 PolarHBondContact OD1-N 2.76Å; N384-T386 PolarHBondContact OD1-OG1 3.29Å; N384-T386 VanDerWaalsContact OD1-OG1 3.09Å
385	N	81.8	Confident	87.5	Confident	21 Å²	21	47.1 Å²	47.1	11%	0.112	23%	0.231	C	C	.	.			trans	-110.6	22	-179.6	-64.7	-11.5	0	0	0	112.6	K181 E383 T387 T428	K181-N385 VanDerWaalsContact CE-OD1 3.24Å; K181-N385 WeakPolarHBondContact CE-OD1 3.15Å; K181-N385 PolarHBondContact NZ-OD1 3.39Å; E383-N385 PolarHBondContact O-N 2.83Å; N385-T387 PolarHBondContact O-N 3.29Å; N385-T428 WeakPolarHBondContact O-CB 3.38Å; N385-T428 VanDerWaalsContact O-CG2 3.24Å; N385-T428 WeakPolarHBondContact O-CG2 3.48Å; N385-T428 PolarHBondContact O-OG1 2.83Å
386	T	73.6	Confident	87.5	Confident	112 Å²	112	43.7 Å²	43.7	69%	0.687	22%	0.218	S	C	*	.	S	Bend	trans	-60.4	-33.5	-175.8	50.7	0	0	0	0	113.6	N384	N384-T386 WeakPolarHBondContact OD1-CG2 3.24Å; N384-T386 PolarHBondContact OD1-N 2.76Å; N384-T386 PolarHBondContact OD1-OG1 3.29Å; N384-T386 VanDerWaalsContact OD1-OG1 3.09Å
387	T	68.8	Low	87.7	Confident	21 Å²	21	36.9 Å²	36.9	13%	0.129	19%	0.193	C	C	.	.	S	Bend	trans	-114.7	-47.6	-171.4	-53.9	0	0	0	0	112.1	T310 L311 N385 T428	T310-T387 WeakPolarHBondContact O-CB 3.29Å; T310-T387 WeakPolarHBondContact O-CG2 3.39Å; T310-T387 PolarHBondContact O-OG1 2.9Å; L311-T387 VanDerWaalsContact CA-CG2 3.46Å; L311-T387 HydrophobicContact CB-CG2 4.47Å; L311-T387 HydrophobicContact CD2-CG2 3.97Å; N385-T387 PolarHBondContact O-N 3.29Å; T387-T428 PolarHBondContact O-N 3.49Å; T387-T428 VanDerWaalsContact O-N 3.1Å; T387-T428 PolarHBondContact O-OG1 3.38Å
388	R	83.5	Confident	87.6	Confident	10 Å²	10	41.2 Å²	41.2	4%	0.038	21%	0.209	C	C	.	.			trans	-132.6	121.2	-175	-57.9	177.6	-175.2	-152.2	-10.8	108.4	A258 S260 D261 Y287 L311 Y426 T428	A258-R388 PolarHBondContact O-NH1 3.06Å; S260-R388 PolarHBondContact O-NH1 3.15Å; D261-R388 WeakPolarHBondContact OD1-CB 3.4Å; D261-R388 WeakPolarHBondContact OD1-CD 3.45Å; Y287-R388 PolarHBondContact OH-NH2 3.02Å; Y287-R388 VanDerWaalsContact OH-NH2 3.13Å; L311-R388 VanDerWaalsContact O-CZ 3.28Å; L311-R388 PolarHBondContact O-NE 2.95Å; L311-R388 PolarHBondContact O-NH2 2.63Å; R388-Y426 PolarHBondContact NH1-OH 3.19Å; R388-T428 WeakPolarHBondContact CA-OG1 3.41Å; R388-T428 PolarHBondContact N-OG1 3.27Å
389	S	85.1	Confident	87.3	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.			trans	-95.1	155.4	178.2	46	0	0	0	0	109.2	R391 T428 K441 S443	S389-R391 PolarHBondContact O-N 2.94Å; S389-T428 WeakPolarHBondContact CB-OG1 3.43Å; S389-T428 PolarHBondContact N-OG1 3.35Å; S389-T428 PolarHBondContact OG-OG1 3.4Å; S389-K441 VanDerWaalsContact CB-O 3.27Å; S389-K441 WeakPolarHBondContact CB-O 3.37Å; S389-S443 WeakPolarHBondContact OG-CA 3.39Å; S389-S443 PolarHBondContact OG-N 3.28Å
390	P	90.1	Very high	87.3	Confident	38 Å²	38	38 Å²	38	25%	0.247	19%	0.193	C	C	.	.			trans	-51.2	137.7	168.6	-24.4	34.2	0	0	0	110.8	H179 L180 K181	H179-P390 HydrophobicContact CB-CB 3.76Å; H179-P390 PolarHBondContact CD2-O 3.24Å; L180-P390 WeakPolarHBondContact O-CA 3.44Å; K181-P390 HydrophobicContact CG-CB 4.44Å; K181-P390 HydrophobicContact CG-CG 4.07Å
391	R	90.2	Very high	87.2	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.008	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-141.1	162.4	-173.6	65.2	-151.9	138.8	-162.9	-2.5	111.9	L180 D261 S389 V395 I396 Y426	L180-R391 PolarHBondContact N-O 3.26Å; L180-R391 PolarHBondContact O-N 3.24Å; D261-R391 IonicContact OD1-CZ 3.62Å; D261-R391 IonicContact OD1-NH1 3.35Å; D261-R391 IonicContact OD1-NH2 3.49Å; D261-R391 PolarHBondContact OD1-NH2 2.87Å; D261-R391 IonicContact OD2-CZ 3.79Å; D261-R391 IonicContact OD2-NH2 3.96Å; D261-R391 PolarHBondContact OD2-NH2 3.39Å; S389-R391 PolarHBondContact O-N 2.94Å; R391-V395 HydrophobicContact CB-CB 4.41Å; R391-V395 HydrophobicContact CG-CB 4.23Å; R391-V395 HydrophobicContact CG-CG1 4.29Å; R391-I396 HydrophobicContact CG-CD1 4.36Å; R391-I396 HydrophobicContact CG-CG1 3.92Å; R391-Y426 VanDerWaalsContact CZ-CZ 3.41Å; R391-Y426 VanDerWaalsContact NH1-CD1 3.3Å; R391-Y426 VanDerWaalsContact NH1-CD2 3.25Å; R391-Y426 VanDerWaalsContact NH1-CG 3.31Å; R391-Y426 PolarHBondContact NH1-O 2.79Å; R391-Y426 PolarHBondContact NH1-OH 3.36Å; R391-Y426 PolarHBondContact NH2-OH 2.94Å; R391-Y426 VanDerWaalsContact NH2-OH 3.12Å
392	H	92.2	Very high	86.9	Confident	63 Å²	63	35.9 Å²	35.9	29%	0.292	19%	0.186	S	C	.	.			trans	-59.2	143	178.2	-71.9	-81.9	0	0	0	111.8	P176 D177 H179 G394 V395 I396	P176-H392 PolarHBondContact O-ND1 3.38Å; D177-H392 VanDerWaalsContact CA-CE1 3.49Å; D177-H392 WeakPolarHBondContact CA-CE1 3.39Å; D177-H392 PolarHBondContact O-CE1 3.49Å; H179-H392 AromaticContact CE1-CE1 3.58Å; H179-H392 AromaticContact CE1-NE2 3.3Å; H179-H392 PolarHBondContact CE1-NE2 3.25Å; H179-H392 VanDerWaalsContact CE1-NE2 3.3Å; H179-H392 AromaticContact NE2-NE2 3.76Å; H392-G394 PolarHBondContact O-N 3.19Å; H392-G394 VanDerWaalsContact O-N 3.11Å; H392-V395 HydrophobicContact CB-CG2 4.32Å; H392-V395 WeakPolarHBondContact O-CB 3.24Å; H392-V395 PolarHBondContact O-N 3.29Å; H392-I396 PolarHBondContact O-N 3.36Å
393	P	93.9	Very high	86.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55	-31.5	176.9	-13.1	12.6	0	0	0	112.7	F168 I169 C174 Q178 L180 V395 I396 F397	F168-P393 HydrophobicContact CD1-CB 4.12Å; F168-P393 HydrophobicContact CE1-CB 4.01Å; F168-P393 WeakPolarHBondContact CE1-O 3.14Å; I169-P393 HydrophobicContact CG1-CB 3.81Å; I169-P393 HydrophobicContact CG1-CG 4.17Å; C174-P393 VanDerWaalsContact SG-CG 3.55Å; Q178-P393 WeakPolarHBondContact O-CD 3.09Å; L180-P393 HydrophobicContact CD1-CB 4.09Å; L180-P393 HydrophobicContact CD1-CG 3.76Å; L180-P393 HydrophobicContact CG-CG 4.38Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 2.86Å; P393-I396 WeakPolarHBondContact O-CB 3.44Å; P393-I396 PolarHBondContact O-N 3.15Å; P393-I396 VanDerWaalsContact O-N 3.16Å; P393-F397 PolarHBondContact O-N 3.09Å
394	G	91.4	Very high	86.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-35.3	174.6	0	0	0	0	0	114.7	E165 H392 I396 F397 K398	E165-G394 VanDerWaalsContact CD-CA 3.4Å; E165-G394 VanDerWaalsContact OE1-CA 3.28Å; E165-G394 WeakPolarHBondContact OE1-CA 3.42Å; H392-G394 PolarHBondContact O-N 3.19Å; H392-G394 VanDerWaalsContact O-N 3.11Å; G394-I396 VanDerWaalsContact C-N 3.35Å; G394-F397 PolarHBondContact O-N 3.41Å; G394-K398 WeakPolarHBondContact O-CB 3.5Å; G394-K398 VanDerWaalsContact O-CG 3.24Å; G394-K398 WeakPolarHBondContact O-CG 3.24Å; G394-K398 PolarHBondContact O-N 3.26Å
395	V	90.1	Very high	86.6	Confident	17 Å²	17	30.6 Å²	30.6	10%	0.103	16%	0.162	C	C	.	.	H	α-helix	trans	-67.6	-39.7	174.6	179.2	0	0	0	0	110.3	R391 H392 P393 K398 A399 P423 E425 Y426	R391-V395 HydrophobicContact CB-CB 4.41Å; R391-V395 HydrophobicContact CG-CB 4.23Å; R391-V395 HydrophobicContact CG-CG1 4.29Å; H392-V395 HydrophobicContact CB-CG2 4.32Å; H392-V395 WeakPolarHBondContact O-CB 3.24Å; H392-V395 PolarHBondContact O-N 3.29Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 2.86Å; V395-K398 PolarHBondContact O-N 3.02Å; V395-A399 WeakPolarHBondContact O-CB 3.25Å; V395-A399 PolarHBondContact O-N 3.26Å; V395-P423 HydrophobicContact CG1-CB 4.21Å; V395-P423 HydrophobicContact CG1-CG 4.15Å; V395-E425 HydrophobicContact CG1-CB 4.34Å; V395-E425 HydrophobicContact CG2-CB 4.2Å; V395-Y426 HydrophobicContact CG1-CD2 4.25Å
396	I	92.5	Very high	86.3	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-46.1	176.2	-58.9	169.7	0	0	0	110.1	F168 L180 V182 R391 H392 P393 G394 A399 L400	F168-I396 HydrophobicContact CE1-CB 4.41Å; F168-I396 HydrophobicContact CE1-CG2 4.41Å; F168-I396 HydrophobicContact CZ-CG2 4.23Å; L180-I396 HydrophobicContact CB-CD1 3.92Å; V182-I396 HydrophobicContact CG2-CD1 3.69Å; V182-I396 HydrophobicContact CG2-CG1 4.16Å; V182-I396 HydrophobicContact CG2-CG2 3.97Å; R391-I396 HydrophobicContact CG-CD1 4.36Å; R391-I396 HydrophobicContact CG-CG1 3.92Å; H392-I396 PolarHBondContact O-N 3.36Å; P393-I396 WeakPolarHBondContact O-CB 3.44Å; P393-I396 PolarHBondContact O-N 3.15Å; P393-I396 VanDerWaalsContact O-N 3.16Å; G394-I396 VanDerWaalsContact C-N 3.35Å; I396-A399 PolarHBondContact O-N 3.17Å; I396-L400 WeakPolarHBondContact O-CB 3.24Å; I396-L400 PolarHBondContact O-N 3.33Å
397	F	92.4	Very high	86.4	Confident	12 Å²	12	27.2 Å²	27.2	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-46.5	176.9	174	-102.3	0	0	0	112.5	V162 N164 E165 F168 P393 G394 A399 L400 K401	V162-F397 HydrophobicContact CB-CE2 4.17Å; V162-F397 HydrophobicContact CG1-CD2 4.25Å; V162-F397 HydrophobicContact CG1-CE2 3.88Å; N164-F397 VanDerWaalsContact C-CE1 3.45Å; N164-F397 VanDerWaalsContact C-CZ 3.41Å; N164-F397 VanDerWaalsContact CA-CZ 3.44Å; E165-F397 HydrophobicContact CB-CD1 3.94Å; E165-F397 HydrophobicContact CB-CE1 4.37Å; E165-F397 VanDerWaalsContact N-CE1 3.34Å; F168-F397 HydrophobicContact CB-CB 4.14Å; F168-F397 HydrophobicContact CB-CD2 3.76Å; F168-F397 HydrophobicContact CB-CE2 4.49Å; F168-F397 HydrophobicContact CB-CG 4.08Å; F168-F397 HydrophobicContact CD1-CB 3.78Å; F168-F397 HydrophobicContact CD2-CD2 4.26Å; F168-F397 HydrophobicContact CE1-CB 4.34Å; F168-F397 HydrophobicContact CG-CB 3.94Å; F168-F397 AromaticContact CG-CD2 4Å; F168-F397 HydrophobicContact CG-CD2 4Å; F168-F397 HydrophobicContact CG-CG 4.3Å; P393-F397 PolarHBondContact O-N 3.09Å; G394-F397 PolarHBondContact O-N 3.41Å; F397-A399 VanDerWaalsContact C-N 3.33Å; F397-A399 PolarHBondContact O-N 2.65Å; F397-L400 PolarHBondContact O-N 3.28Å; F397-K401 HydrophobicContact CE1-CD 3.98Å; F397-K401 HydrophobicContact CZ-CD 3.73Å; F397-K401 WeakPolarHBondContact O-CB 3.11Å; F397-K401 PolarHBondContact O-N 2.88Å
398	K	89.4	Confident	86.4	Confident	109 Å²	109	29.1 Å²	29.1	47%	0.474	15%	0.15	S	C	.	.	H	α-helix	trans	-59.4	-43.6	178.1	-74.6	167.8	-171	164	0	111.7	E165 G394 V395 K401 A402 P423	E165-K398 WeakPolarHBondContact OE2-CE 3.43Å; E165-K398 IonicContact OE2-NZ 3.84Å; E165-K398 PolarHBondContact OE2-NZ 3.33Å; E165-K398 VanDerWaalsContact OE2-NZ 3.16Å; G394-K398 WeakPolarHBondContact O-CB 3.5Å; G394-K398 VanDerWaalsContact O-CG 3.24Å; G394-K398 WeakPolarHBondContact O-CG 3.24Å; G394-K398 PolarHBondContact O-N 3.26Å; V395-K398 PolarHBondContact O-N 3.02Å; K398-K401 PolarHBondContact O-N 3.16Å; K398-A402 WeakPolarHBondContact O-CB 3.46Å; K398-A402 PolarHBondContact O-N 3.01Å; K398-P423 HydrophobicContact CB-CG 4.24Å
399	A	88.7	Confident	85.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-49.1	174.9	0	0	0	0	0	111.3	I259 V395 I396 F397 K401 A402 L403 Y426	I259-A399 HydrophobicContact CG2-CB 4.31Å; V395-A399 WeakPolarHBondContact O-CB 3.25Å; V395-A399 PolarHBondContact O-N 3.26Å; I396-A399 PolarHBondContact O-N 3.17Å; F397-A399 VanDerWaalsContact C-N 3.33Å; F397-A399 PolarHBondContact O-N 2.65Å; A399-K401 VanDerWaalsContact C-N 3.33Å; A399-K401 PolarHBondContact O-N 2.72Å; A399-A402 PolarHBondContact O-N 3.19Å; A399-L403 WeakPolarHBondContact O-CB 3.37Å; A399-L403 WeakPolarHBondContact O-CD1 3.34Å; A399-L403 WeakPolarHBondContact O-CG 3.42Å; A399-L403 PolarHBondContact O-N 3.02Å; A399-Y426 HydrophobicContact CB-CD2 4Å; A399-Y426 HydrophobicContact CB-CE2 4.01Å
400	L	89.4	Confident	84.4	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-43.9	177.9	178	63	0	0	0	112.1	L153 V160 I259 I396 F397 L403 S404	L153-L400 HydrophobicContact CD1-CD2 3.69Å; L153-L400 HydrophobicContact CD2-CD2 3.85Å; L153-L400 HydrophobicContact CG-CD2 3.9Å; V160-L400 HydrophobicContact CG1-CD2 4.37Å; V160-L400 HydrophobicContact CG2-CG 4.36Å; I259-L400 HydrophobicContact CD1-CD1 4.23Å; I259-L400 HydrophobicContact CG2-CB 4.31Å; I396-L400 WeakPolarHBondContact O-CB 3.24Å; I396-L400 PolarHBondContact O-N 3.33Å; F397-L400 PolarHBondContact O-N 3.28Å; L400-L403 PolarHBondContact O-N 3.39Å; L400-S404 WeakPolarHBondContact O-CB 3.31Å; L400-S404 PolarHBondContact O-N 3.32Å
401	K	87.7	Confident	83	Confident	88 Å²	88	40 Å²	40	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-48.3	179.6	-172.7	157.6	-175.3	169.8	0	111.6	T163 F397 K398 A399 L403 S404 D405	T163-K401 PolarHBondContact O-NZ 3.2Å; T163-K401 VanDerWaalsContact O-NZ 3.17Å; F397-K401 HydrophobicContact CE1-CD 3.98Å; F397-K401 HydrophobicContact CZ-CD 3.73Å; F397-K401 WeakPolarHBondContact O-CB 3.11Å; F397-K401 PolarHBondContact O-N 2.88Å; K398-K401 PolarHBondContact O-N 3.16Å; A399-K401 VanDerWaalsContact C-N 3.33Å; A399-K401 PolarHBondContact O-N 2.72Å; K401-L403 VanDerWaalsContact C-N 3.27Å; K401-L403 PolarHBondContact O-N 2.75Å; K401-S404 PolarHBondContact O-N 3.19Å; K401-D405 VanDerWaalsContact O-CG 3.24Å; K401-D405 PolarHBondContact O-N 3.47Å
402	A	84.4	Confident	81.4	Confident	26 Å²	26	43.2 Å²	43.2	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-37.7	176.3	0	0	0	0	0	112.6	K398 A399 R406	K398-A402 WeakPolarHBondContact O-CB 3.46Å; K398-A402 PolarHBondContact O-N 3.01Å; A399-A402 PolarHBondContact O-N 3.19Å; A402-R406 WeakPolarHBondContact O-CB 3.34Å; A402-R406 PolarHBondContact O-N 3.45Å
403	L	85.7	Confident	79.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-40.1	173.7	-68.7	163.5	0	0	0	111.6	K255 A258 I259 F291 A399 L400 K401 R406 F407 F421	K255-L403 HydrophobicContact CG-CB 4.25Å; A258-L403 HydrophobicContact CB-CD1 3.48Å; A258-L403 VanDerWaalsContact CB-CD1 3.48Å; A258-L403 HydrophobicContact CB-CD2 3.89Å; A258-L403 HydrophobicContact CB-CG 4.35Å; I259-L403 HydrophobicContact CG2-CD1 3.62Å; F291-L403 HydrophobicContact CE1-CD2 3.46Å; F291-L403 VanDerWaalsContact CE1-CD2 3.46Å; F291-L403 HydrophobicContact CZ-CD2 3.76Å; A399-L403 WeakPolarHBondContact O-CB 3.37Å; A399-L403 WeakPolarHBondContact O-CD1 3.34Å; A399-L403 WeakPolarHBondContact O-CG 3.42Å; A399-L403 PolarHBondContact O-N 3.02Å; L400-L403 PolarHBondContact O-N 3.39Å; K401-L403 VanDerWaalsContact C-N 3.27Å; K401-L403 PolarHBondContact O-N 2.75Å; L403-R406 PolarHBondContact O-N 3.26Å; L403-F407 HydrophobicContact CB-CD2 4.47Å; L403-F407 HydrophobicContact CD2-CD2 4.29Å; L403-F407 HydrophobicContact CD2-CE2 3.86Å; L403-F407 WeakPolarHBondContact O-CB 3.29Å; L403-F407 VanDerWaalsContact O-CD2 3.23Å; L403-F407 WeakPolarHBondContact O-CD2 3.24Å; L403-F407 PolarHBondContact O-N 2.92Å; L403-F421 HydrophobicContact CD2-CB 4.5Å
404	S	85	Confident	77.7	Confident	8 Å²	8	52.2 Å²	52.2	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-46	178	-157.9	0	0	0	0	112	V160 K255 L400 K401 R406 F407 S408	V160-S404 WeakPolarHBondContact CG2-OG 3.23Å; K255-S404 PolarHBondContact NZ-OG 3.49Å; L400-S404 WeakPolarHBondContact O-CB 3.31Å; L400-S404 PolarHBondContact O-N 3.32Å; K401-S404 PolarHBondContact O-N 3.19Å; S404-R406 PolarHBondContact O-N 3.22Å; S404-F407 CarbonylContact O-C 3.43Å; S404-F407 PolarHBondContact O-N 3.41Å; S404-S408 WeakPolarHBondContact O-CB 3.02Å; S404-S408 PolarHBondContact O-N 3.13Å
405	D	82.2	Confident	75.6	Confident	107 Å²	107	61.1 Å²	61.1	57%	0.572	32%	0.324	S	S	*	.	H	α-helix	trans	-62.2	-32.9	178.3	-62.3	-17.1	0	0	0	111.8	K401 S408	K401-D405 VanDerWaalsContact O-CG 3.24Å; K401-D405 PolarHBondContact O-N 3.47Å; D405-S408 PolarHBondContact O-OG 2.85Å
406	R	76.9	Confident	73.6	Confident	60 Å²	60	66.8 Å²	66.8	23%	0.226	35%	0.351	C	S	.	.	H	α-helix	trans	-78.6	-41.4	177.8	-164.9	-160.4	-170.4	173.1	-10.3	113.1	H290 A402 L403 S404 F421	H290-R406 PolarHBondContact O-NH1 2.83Å; A402-R406 WeakPolarHBondContact O-CB 3.34Å; A402-R406 PolarHBondContact O-N 3.45Å; L403-R406 PolarHBondContact O-N 3.26Å; S404-R406 PolarHBondContact O-N 3.22Å; R406-F421 HydrophobicContact CB-CD1 4.05Å; R406-F421 HydrophobicContact CB-CE1 3.65Å; R406-F421 HydrophobicContact CB-CZ 4.46Å; R406-F421 HydrophobicContact CG-CD1 4.22Å; R406-F421 HydrophobicContact CG-CE1 3.47Å; R406-F421 VanDerWaalsContact CG-CE1 3.47Å; R406-F421 HydrophobicContact CG-CZ 3.8Å; R406-F421 VanDerWaalsContact CZ-CZ 3.43Å
407	F	74	Confident	71.5	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.009	39%	0.385	C	S	.	.	S	Bend	trans	-102.1	34	-176.1	-62.6	-76.6	0	0	0	111.2	R251 L254 K255 H290 F291 L403 S404 I411	R251-F407 HydrophobicContact CB-CB 4.32Å; R251-F407 VanDerWaalsContact CD-O 3.32Å; R251-F407 WeakPolarHBondContact CD-O 3.22Å; R251-F407 HydrophobicContact CG-CB 4.32Å; L254-F407 HydrophobicContact CD1-CD1 4.47Å; L254-F407 HydrophobicContact CD1-CE1 3.94Å; L254-F407 HydrophobicContact CD1-CZ 4.34Å; K255-F407 WeakPolarHBondContact CE-O 3.42Å; K255-F407 HydrophobicContact CG-CB 4.44Å; K255-F407 PolarHBondContact NZ-O 2.89Å; H290-F407 HydrophobicContact CB-CE1 4.11Å; H290-F407 HydrophobicContact CB-CZ 3.97Å; F291-F407 AromaticContact CE1-CE2 3.76Å; F291-F407 HydrophobicContact CE1-CE2 3.76Å; F291-F407 AromaticContact CE1-CZ 3.96Å; F291-F407 HydrophobicContact CE1-CZ 3.96Å; F291-F407 HydrophobicContact CE2-CZ 4.43Å; F291-F407 AromaticContact CZ-CE2 3.57Å; F291-F407 HydrophobicContact CZ-CE2 3.57Å; F291-F407 AromaticContact CZ-CZ 3.71Å; F291-F407 HydrophobicContact CZ-CZ 3.71Å; L403-F407 HydrophobicContact CB-CD2 4.47Å; L403-F407 HydrophobicContact CD2-CD2 4.29Å; L403-F407 HydrophobicContact CD2-CE2 3.86Å; L403-F407 WeakPolarHBondContact O-CB 3.29Å; L403-F407 VanDerWaalsContact O-CD2 3.23Å; L403-F407 WeakPolarHBondContact O-CD2 3.24Å; L403-F407 PolarHBondContact O-N 2.92Å; S404-F407 CarbonylContact O-C 3.43Å; S404-F407 PolarHBondContact O-N 3.41Å; F407-I411 HydrophobicContact CD1-CG1 4.47Å; F407-I411 HydrophobicContact CD1-CG2 4.31Å; F407-I411 HydrophobicContact CE1-CG2 4.29Å
408	S	70.4	Confident	69.4	Low	61 Å²	61	79.3 Å²	79.3	43%	0.427	42%	0.424	S	S	.	.	S	Bend	trans	-91.9	124.7	169.3	60	0	0	0	0	109.8	S404 D405	S404-S408 WeakPolarHBondContact O-CB 3.02Å; S404-S408 PolarHBondContact O-N 3.13Å; D405-S408 PolarHBondContact O-OG 2.85Å
409	G	67.6	Low	67.6	Low	46 Å²	46	77.1 Å²	77.1	47%	0.474	42%	0.422	S	S	.	.	S	Bend	trans	78.7	-134.4	178.5	0	0	0	0	0	114.3	R251	R251-G409 WeakPolarHBondContact CD-O 3.21Å; R251-G409 VanDerWaalsContact CZ-O 3.28Å; R251-G409 PolarHBondContact NE-O 2.75Å; R251-G409 PolarHBondContact NH1-O 3.44Å
410	E	59.2	Low	66.3	Low	184 Å²	184	79.4 Å²	79.4	86%	0.86	44%	0.439	S	S	*	.	S	Bend	trans	-77.2	132.6	177.7	-66.3	-172	172.4	0	0	110.5	P412	E410-P412 WeakPolarHBondContact O-CD 3.41Å; E410-P412 VanDerWaalsContact O-N 3.16Å
411	I	59.4	Low	65.3	Low	47 Å²	47	79.5 Å²	79.5	24%	0.241	44%	0.439	C	S	.	.			trans	-69.5	111.2	-179.4	-55.6	175.3	0	0	0	107.8	R251 H290 F407 D413	R251-I411 HydrophobicContact CG-CD1 3.78Å; R251-I411 HydrophobicContact CG-CG1 3.8Å; H290-I411 VanDerWaalsContact CE1-CG2 3.47Å; H290-I411 WeakPolarHBondContact CE1-CG2 3.41Å; F407-I411 HydrophobicContact CD1-CG1 4.47Å; F407-I411 HydrophobicContact CD1-CG2 4.31Å; F407-I411 HydrophobicContact CE1-CG2 4.29Å; I411-D413 PolarHBondContact O-N 3.05Å
412	P	57.4	Low	64.4	Low	70 Å²	70	75.3 Å²	75.3	46%	0.455	42%	0.421	S	S	.	.			trans	-68	132.8	-174	-16.7	30.7	0	0	0	110.4	E410 D414	E410-P412 WeakPolarHBondContact O-CD 3.41Å; E410-P412 VanDerWaalsContact O-N 3.16Å; P412-D414 PolarHBondContact O-N 3.3Å
413	D	53.3	Low	63.7	Low	134 Å²	134	75.5 Å²	75.5	72%	0.717	42%	0.419	S	S	*	.	S	Bend	trans	-74.8	-17.9	-170.7	-106.3	-20.4	0	0	0	114.5	I411	I411-D413 PolarHBondContact O-N 3.05Å
414	D	54.2	Low	63	Low	118 Å²	118	77.4 Å²	77.4	63%	0.631	43%	0.43	S	S	*	.	S	Bend	trans	-177	15.3	170.2	-102.9	-18.7	0	0	0	119.8	K293 P412	K293-D414 IonicContact NZ-OD1 2.82Å; K293-D414 PolarHBondContact NZ-OD1 3.43Å; K293-D414 IonicContact NZ-OD2 2.61Å; K293-D414 PolarHBondContact NZ-OD2 3.4Å; P412-D414 PolarHBondContact O-N 3.3Å
415	Q	48	Very low	62.6	Low	187 Å²	187	79.9 Å²	79.9	87%	0.874	44%	0.441	S	S	*	.			trans	-108.6	19.4	-162.6	-67.9	-167.4	9.3	0	0	119.2
416	M	48.4	Very low	62.3	Low	135 Å²	135	74.8 Å²	74.8	67%	0.665	41%	0.413	S	S	*	.			trans	-125.9	98.3	174.8	-68.8	-173.1	74.1	0	0	112.2
417	A	47.6	Very low	62.5	Low	87 Å²	87	72.1 Å²	72.1	72%	0.719	40%	0.403	S	S	*	.			trans	-109	21.1	-169.9	0	0	0	0	0	115.3
418	H	48.7	Very low	63	Low	192 Å²	192	72.4 Å²	72.4	89%	0.889	41%	0.405	S	S	*	.	S	Bend	trans	-133.3	8.8	-172.4	-67	-50.8	0	0	0	117.3
419	S	51.7	Low	63.5	Low	62 Å²	62	70 Å²	70	43%	0.434	39%	0.389	S	S	.	.			trans	-127.1	123.2	170.4	60.1	0	0	0	0	111.1	F421	S419-F421 PolarHBondContact O-N 3.12Å
420	S	60.8	Low	64	Low	49 Å²	49	70.2 Å²	70.2	34%	0.343	38%	0.383	S	S	.	.			trans	-71	117.1	173.4	-175.2	0	0	0	0	108.9	E294 R301 F422	E294-S420 WeakPolarHBondContact OE1-CA 3.37Å; E294-S420 PolarHBondContact OE1-OG 2.88Å; E294-S420 VanDerWaalsContact OE1-OG 3.13Å; R301-S420 PolarHBondContact NH2-OG 3.08Å; S420-F422 VanDerWaalsContact C-N 3.27Å; S420-F422 PolarHBondContact O-N 3.39Å; S420-F422 PolarHBondContact OG-O 3.17Å
421	F	67.9	Low	65	Low	7 Å²	7	62.8 Å²	62.8	3%	0.031	35%	0.351	C	S	.	.	S	Bend	trans	-70.5	-26.7	-178.6	-53.9	-69.9	0	0	0	112.8	E294 L403 R406 S419	E294-F421 HydrophobicContact CB-CD2 4.14Å; E294-F421 HydrophobicContact CG-CD2 3.83Å; L403-F421 HydrophobicContact CD2-CB 4.5Å; R406-F421 HydrophobicContact CB-CD1 4.05Å; R406-F421 HydrophobicContact CB-CE1 3.65Å; R406-F421 HydrophobicContact CB-CZ 4.46Å; R406-F421 HydrophobicContact CG-CD1 4.22Å; R406-F421 HydrophobicContact CG-CE1 3.47Å; R406-F421 VanDerWaalsContact CG-CE1 3.47Å; R406-F421 HydrophobicContact CG-CZ 3.8Å; R406-F421 VanDerWaalsContact CZ-CZ 3.43Å; S419-F421 PolarHBondContact O-N 3.12Å
422	F	69.1	Low	66.1	Low	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-108.7	123.2	175	-60.5	-71.2	0	0	0	108.8	A258 F291 E294 L295 S420 Y426 F427	A258-F422 HydrophobicContact CB-CE1 4.08Å; A258-F422 HydrophobicContact CB-CZ 3.84Å; F291-F422 AromaticContact CD1-CE2 3.99Å; F291-F422 HydrophobicContact CD1-CE2 3.99Å; F291-F422 HydrophobicContact CD1-CZ 4.22Å; F291-F422 HydrophobicContact CE1-CE2 4.42Å; F291-F422 HydrophobicContact CE1-CZ 4.29Å; E294-F422 HydrophobicContact CG-CD2 4.46Å; L295-F422 HydrophobicContact CD2-CD2 4.48Å; L295-F422 HydrophobicContact CD2-CE2 4.25Å; S420-F422 VanDerWaalsContact C-N 3.27Å; S420-F422 PolarHBondContact O-N 3.39Å; S420-F422 PolarHBondContact OG-O 3.17Å; F422-Y426 HydrophobicContact CB-CD1 4.42Å; F422-Y426 HydrophobicContact CB-CG 4.39Å; F422-Y426 AromaticContact CD1-CD1 3.58Å; F422-Y426 HydrophobicContact CD1-CD1 3.58Å; F422-Y426 HydrophobicContact CD1-CD2 4.27Å; F422-Y426 AromaticContact CD1-CE1 3.77Å; F422-Y426 HydrophobicContact CD1-CE1 3.77Å; F422-Y426 HydrophobicContact CD1-CE2 4.45Å; F422-Y426 AromaticContact CD1-CG 3.9Å; F422-Y426 HydrophobicContact CD1-CG 3.9Å; F422-Y426 HydrophobicContact CE1-CD1 4.2Å; F422-Y426 AromaticContact CE1-CE1 3.91Å; F422-Y426 HydrophobicContact CE1-CE1 3.91Å; F422-Y426 HydrophobicContact CG-CD1 4.24Å; F422-F427 HydrophobicContact CB-CE2 3.76Å; F422-F427 HydrophobicContact CB-CZ 4.33Å; F422-F427 HydrophobicContact CD2-CE2 4.49Å; F422-F427 HydrophobicContact CD2-CZ 4.31Å; F422-F427 HydrophobicContact CG-CE2 4.16Å; F422-F427 HydrophobicContact CG-CZ 4.22Å
423	P	71.1	Confident	67.2	Low	29 Å²	29	62.1 Å²	62.1	19%	0.188	34%	0.344	C	S	.	.			trans	-55.7	147.2	161.2	-21.1	32.9	0	0	0	109.4	V395 K398 E425 Y426	V395-P423 HydrophobicContact CG1-CB 4.21Å; V395-P423 HydrophobicContact CG1-CG 4.15Å; K398-P423 HydrophobicContact CB-CG 4.24Å; P423-E425 VanDerWaalsContact CB-OE2 3.23Å; P423-E425 WeakPolarHBondContact CB-OE2 3.49Å; P423-E425 PolarHBondContact O-N 3.48Å; P423-Y426 WeakPolarHBondContact O-CB 3.32Å; P423-Y426 PolarHBondContact O-N 3.41Å
424	D	70.6	Confident	68.4	Low	40 Å²	40	59.6 Å²	59.6	21%	0.214	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57.5	-38.5	178.9	-71.9	-13.1	0	0	0	110.2	R301 Y426 F427 M444 N445	R301-D424 IonicContact NE-OD1 2.75Å; R301-D424 IonicContact NH2-OD1 3.59Å; D424-Y426 PolarHBondContact O-N 3.46Å; D424-F427 PolarHBondContact O-N 3.27Å; D424-M444 VanDerWaalsContact O-CB 3.27Å; D424-M444 WeakPolarHBondContact O-CB 3.38Å; D424-N445 VanDerWaalsContact CB-ND2 3.26Å; D424-N445 WeakPolarHBondContact CB-ND2 3.15Å; D424-N445 PolarHBondContact OD2-ND2 2.65Å; D424-N445 VanDerWaalsContact OD2-ND2 3.1Å
425	E	75.8	Confident	69.4	Low	61 Å²	61	55 Å²	55	29%	0.285	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-58.8	-11.6	177.5	-56.7	79.4	-173.5	0	0	113.5	V395 P423 F427 S443	V395-E425 HydrophobicContact CG1-CB 4.34Å; V395-E425 HydrophobicContact CG2-CB 4.2Å; P423-E425 VanDerWaalsContact CB-OE2 3.23Å; P423-E425 WeakPolarHBondContact CB-OE2 3.49Å; P423-E425 PolarHBondContact O-N 3.48Å; E425-F427 VanDerWaalsContact C-N 3.29Å; E425-S443 VanDerWaalsContact O-CB 3.29Å; E425-S443 WeakPolarHBondContact O-CB 3.46Å
426	Y	76.8	Confident	70.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-68.4	-28.3	174.2	-164.7	-93.2	0	0	0	112.2	A258 I259 R388 R391 V395 A399 F422 P423 D424	A258-Y426 PolarHBondContact O-OH 3Å; I259-Y426 WeakPolarHBondContact CA-OH 3.47Å; I259-Y426 PolarHBondContact O-OH 3.39Å; R388-Y426 PolarHBondContact NH1-OH 3.19Å; R391-Y426 VanDerWaalsContact CZ-CZ 3.41Å; R391-Y426 VanDerWaalsContact NH1-CD1 3.3Å; R391-Y426 VanDerWaalsContact NH1-CD2 3.25Å; R391-Y426 VanDerWaalsContact NH1-CG 3.31Å; R391-Y426 PolarHBondContact NH1-O 2.79Å; R391-Y426 PolarHBondContact NH1-OH 3.36Å; R391-Y426 PolarHBondContact NH2-OH 2.94Å; R391-Y426 VanDerWaalsContact NH2-OH 3.12Å; V395-Y426 HydrophobicContact CG1-CD2 4.25Å; A399-Y426 HydrophobicContact CB-CD2 4Å; A399-Y426 HydrophobicContact CB-CE2 4.01Å; F422-Y426 HydrophobicContact CB-CD1 4.42Å; F422-Y426 HydrophobicContact CB-CG 4.39Å; F422-Y426 AromaticContact CD1-CD1 3.58Å; F422-Y426 HydrophobicContact CD1-CD1 3.58Å; F422-Y426 HydrophobicContact CD1-CD2 4.27Å; F422-Y426 AromaticContact CD1-CE1 3.77Å; F422-Y426 HydrophobicContact CD1-CE1 3.77Å; F422-Y426 HydrophobicContact CD1-CE2 4.45Å; F422-Y426 AromaticContact CD1-CG 3.9Å; F422-Y426 HydrophobicContact CD1-CG 3.9Å; F422-Y426 HydrophobicContact CE1-CD1 4.2Å; F422-Y426 AromaticContact CE1-CE1 3.91Å; F422-Y426 HydrophobicContact CE1-CE1 3.91Å; F422-Y426 HydrophobicContact CG-CD1 4.24Å; P423-Y426 WeakPolarHBondContact O-CB 3.32Å; P423-Y426 PolarHBondContact O-N 3.41Å; D424-Y426 PolarHBondContact O-N 3.46Å
427	F	81.3	Confident	72.2	Confident	3 Å²	3	43.9 Å²	43.9	1%	0.013	27%	0.27	C	S	.	.	S	Bend	trans	-100.5	159.5	-178.8	-63.2	-78.2	0	0	0	112.4	L295 T298 L311 F422 D424 E425 S443 M444	L295-F427 HydrophobicContact CD2-CE1 4.33Å; L295-F427 HydrophobicContact CD2-CZ 3.83Å; T298-F427 HydrophobicContact CG2-CD2 3.76Å; T298-F427 HydrophobicContact CG2-CE2 3.6Å; L311-F427 HydrophobicContact CD2-CD1 4.27Å; L311-F427 HydrophobicContact CD2-CE1 4.23Å; F422-F427 HydrophobicContact CB-CE2 3.76Å; F422-F427 HydrophobicContact CB-CZ 4.33Å; F422-F427 HydrophobicContact CD2-CE2 4.49Å; F422-F427 HydrophobicContact CD2-CZ 4.31Å; F422-F427 HydrophobicContact CG-CE2 4.16Å; F422-F427 HydrophobicContact CG-CZ 4.22Å; D424-F427 PolarHBondContact O-N 3.27Å; E425-F427 VanDerWaalsContact C-N 3.29Å; F427-S443 CarbonylContact O-C 3.6Å; F427-S443 WeakPolarHBondContact O-CA 3.34Å; F427-M444 HydrophobicContact CB-CG 4.09Å; F427-M444 WeakPolarHBondContact O-CG 3.28Å; F427-M444 PolarHBondContact O-N 3.25Å
428	T	83.3	Confident	73.8	Confident	8 Å²	8	42 Å²	42	5%	0.049	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-74.8	144.2	174.9	-56.5	0	0	0	0	111.8	N385 T387 R388 S389 S430 C440 N442 M444	N385-T428 WeakPolarHBondContact O-CB 3.38Å; N385-T428 VanDerWaalsContact O-CG2 3.24Å; N385-T428 WeakPolarHBondContact O-CG2 3.48Å; N385-T428 PolarHBondContact O-OG1 2.83Å; T387-T428 PolarHBondContact O-N 3.49Å; T387-T428 VanDerWaalsContact O-N 3.1Å; T387-T428 PolarHBondContact O-OG1 3.38Å; R388-T428 WeakPolarHBondContact CA-OG1 3.41Å; R388-T428 PolarHBondContact N-OG1 3.27Å; S389-T428 WeakPolarHBondContact CB-OG1 3.43Å; S389-T428 PolarHBondContact N-OG1 3.35Å; S389-T428 PolarHBondContact OG-OG1 3.4Å; T428-S430 PolarHBondContact O-N 2.96Å; T428-C440 WeakPolarHBondContact CG2-O 3.27Å; T428-N442 WeakPolarHBondContact CG2-O 3.36Å; T428-M444 WeakPolarHBondContact O-CG 3.23Å; T428-M444 VanDerWaalsContact O-SD 3.42Å
429	C	81.6	Confident	75.5	Confident	12 Å²	12	34.4 Å²	34.4	8%	0.081	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-50.1	125.1	170.6	-179.5	0	0	0	0	112.4	S431 C440 N442 M444 H446 H453	C429-S431 PolarHBondContact O-N 3.39Å; C429-S431 PolarHBondContact SG-OG 3.27Å; C429-C440 HydrophobicContact CB-CB 3.72Å; C429-N442 VanDerWaalsContact CB-O 3.24Å; C429-N442 WeakPolarHBondContact CB-O 3.34Å; C429-N442 PolarHBondContact N-O 2.84Å; C429-M444 VanDerWaalsContact CA-SD 3.51Å; C429-H446 PolarHBondContact SG-NE2 3.04Å; C429-H446 VanDerWaalsContact SG-NE2 3.37Å; C429-H453 PolarHBondContact SG-CE1 3.42Å
430	S	79	Confident	77	Confident	50 Å²	50	31.6 Å²	31.6	35%	0.35	20%	0.203	S	C	.	.			trans	-74.8	-4.6	-179.5	59.6	0	0	0	0	114.6	T428 L432	T428-S430 PolarHBondContact O-N 2.96Å; S430-L432 PolarHBondContact O-N 2.91Å
431	S	78.8	Confident	78.1	Confident	27 Å²	27	32 Å²	32	19%	0.189	20%	0.199	C	C	.	.			trans	-69.3	129.4	-177.9	-59.3	0	0	0	0	111.5	C429 C440 H453 W543	C429-S431 PolarHBondContact O-N 3.39Å; C429-S431 PolarHBondContact SG-OG 3.27Å; S431-C440 PolarHBondContact O-N 3.48Å; S431-H453 VanDerWaalsContact CB-CE1 3.42Å; S431-H453 WeakPolarHBondContact CB-CE1 3.48Å; S431-H453 PolarHBondContact OG-CE1 3.1Å; S431-W543 WeakPolarHBondContact O-CZ3 3.35Å
432	L	82.4	Confident	78.9	Confident	100 Å²	100	32.9 Å²	32.9	52%	0.524	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-107.8	140.7	175.3	-57.5	179.4	0	0	0	109.9	S430 L434 P544	S430-L432 PolarHBondContact O-N 2.91Å; L432-L434 PolarHBondContact O-N 2.91Å; L432-P544 WeakPolarHBondContact O-CD 3.31Å
433	C	81.4	Confident	79.6	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.02	21%	0.209	C	C	.	.			trans	-65	124	173	170.9	0	0	0	0	109.5	S435 C436 G437 V438 H541 V542 W543	C433-S435 PolarHBondContact O-N 3.16Å; C433-S435 PolarHBondContact SG-N 3.21Å; C433-S435 VanDerWaalsContact SG-N 3.4Å; C433-C436 PolarHBondContact SG-SG 3.1Å; C433-G437 WeakPolarHBondContact O-CA 3.49Å; C433-G437 PolarHBondContact O-N 3.21Å; C433-V438 WeakPolarHBondContact CB-O 3.17Å; C433-V438 PolarHBondContact N-O 3.2Å; C433-H541 HydrophobicContact CB-CB 4.25Å; C433-V542 CarbonylContact C-O 3.56Å; C433-V542 VanDerWaalsContact CA-O 3.24Å; C433-V542 WeakPolarHBondContact CA-O 3.32Å; C433-V542 PolarHBondContact SG-N 3.45Å; C433-W543 HydrophobicContact CB-CE3 4.26Å; C433-W543 HydrophobicContact CB-CH2 4.16Å; C433-W543 HydrophobicContact CB-CZ3 4Å; C433-W543 VanDerWaalsContact N-CZ3 3.3Å
434	L	77.1	Confident	80	Confident	81 Å²	81	33 Å²	33	42%	0.424	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.3	-179.6	-60.3	178.6	0	0	0	113	L432 Y465 V542 P544	L432-L434 PolarHBondContact O-N 2.91Å; L434-Y465 HydrophobicContact CB-CD1 4.49Å; L434-Y465 HydrophobicContact CB-CE1 3.91Å; L434-Y465 HydrophobicContact CB-CE2 4.01Å; L434-Y465 HydrophobicContact CD1-CE1 4.15Å; L434-Y465 WeakPolarHBondContact O-CE2 3.42Å; L434-V542 HydrophobicContact CB-CB 4.31Å; L434-V542 HydrophobicContact CB-CG1 4.16Å; L434-V542 HydrophobicContact CD1-CG1 4.18Å; L434-V542 PolarHBondContact N-O 3.16Å; L434-P544 HydrophobicContact CD2-CG 4.15Å; L434-P544 HydrophobicContact CG-CG 4.39Å
435	S	75.2	Confident	80.1	Confident	23 Å²	23	32.8 Å²	32.8	16%	0.161	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-51.4	179.4	-173.8	0	0	0	0	114	C433 R460 S462	C433-S435 PolarHBondContact O-N 3.16Å; C433-S435 PolarHBondContact SG-N 3.21Å; C433-S435 VanDerWaalsContact SG-N 3.4Å; S435-R460 PolarHBondContact OG-O 2.78Å; S435-S462 WeakPolarHBondContact OG-CB 3.31Å
436	C	78.2	Confident	80.2	Confident	41 Å²	41	30.1 Å²	30.1	28%	0.277	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-6.9	-172.4	67.2	0	0	0	0	114.9	C433 V438 C459 R460 H541	C433-C436 PolarHBondContact SG-SG 3.1Å; C436-V438 HydrophobicContact CB-CG2 4.4Å; C436-V438 PolarHBondContact O-N 3.47Å; C436-V438 VanDerWaalsContact SG-CG2 3.56Å; C436-C459 VanDerWaalsContact SG-SG 3.61Å; C436-R460 HydrophobicContact CB-CB 4.19Å; C436-H541 PolarHBondContact SG-CE1 3.42Å; C436-H541 PolarHBondContact SG-ND1 3.47Å
437	G	77.2	Confident	79.9	Confident	46 Å²	46	32.5 Å²	32.5	47%	0.474	22%	0.215	S	C	.	.			trans	75.2	-0.3	-178.1	0	0	0	0	0	115.4	C433	C433-G437 WeakPolarHBondContact O-CA 3.49Å; C433-G437 PolarHBondContact O-N 3.21Å
438	V	82	Confident	79.5	Confident	49 Å²	49	40.2 Å²	40.2	30%	0.297	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-69.6	134.6	179.6	177.3	0	0	0	0	110.4	C433 C436 A455	C433-V438 WeakPolarHBondContact CB-O 3.17Å; C433-V438 PolarHBondContact N-O 3.2Å; C436-V438 HydrophobicContact CB-CG2 4.4Å; C436-V438 PolarHBondContact O-N 3.47Å; C436-V438 VanDerWaalsContact SG-CG2 3.56Å; V438-A455 HydrophobicContact CG1-CB 3.81Å
439	G	83.5	Confident	78.8	Confident	32 Å²	32	45.6 Å²	45.6	33%	0.33	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-75.2	154.5	178.4	0	0	0	0	0	114.2
440	C	83.6	Confident	78.3	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.02	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.4	137.7	173.2	-177.2	0	0	0	0	110.4	T428 C429 S431 H446 E454 W543	T428-C440 WeakPolarHBondContact CG2-O 3.27Å; C429-C440 HydrophobicContact CB-CB 3.72Å; S431-C440 PolarHBondContact O-N 3.48Å; C440-H446 PolarHBondContact SG-NE2 3.35Å; C440-H446 VanDerWaalsContact SG-NE2 3.36Å; C440-E454 CarbonylContact C-O 3.57Å; C440-E454 WeakPolarHBondContact CA-O 3.48Å; C440-W543 HydrophobicContact CB-CH2 4.11Å; C440-W543 HydrophobicContact CB-CZ3 4.01Å
441	K	84.9	Confident	78.2	Confident	57 Å²	57	48.7 Å²	48.7	25%	0.248	30%	0.303	C	S	.	.			trans	-84.2	-10.6	-178.9	79.6	-178.5	-168.2	-176.3	0	113.9	S389 E454 K456	S389-K441 VanDerWaalsContact CB-O 3.27Å; S389-K441 WeakPolarHBondContact CB-O 3.37Å; K441-E454 HydrophobicContact CD-CB 4.29Å; K441-E454 HydrophobicContact CD-CG 4.28Å; K441-E454 WeakPolarHBondContact CE-OE2 3.45Å; K441-E454 HydrophobicContact CG-CB 4.29Å; K441-E454 WeakPolarHBondContact CG-O 3.26Å; K441-E454 PolarHBondContact N-O 3.4Å; K441-E454 IonicContact NZ-OE1 2.82Å; K441-E454 PolarHBondContact NZ-OE1 2.88Å; K441-E454 IonicContact NZ-OE2 3.86Å; K441-E454 PolarHBondContact NZ-OE2 2.83Å; K441-K456 HydrophobicContact CD-CG 4.13Å
442	N	84.4	Confident	78.3	Confident	26 Å²	26	52.2 Å²	52.2	14%	0.139	33%	0.325	C	S	.	.	S	Bend	trans	-86.9	161.4	-172.5	-61.2	-23.3	0	0	0	111.6	T428 C429 H446 P452	T428-N442 WeakPolarHBondContact CG2-O 3.36Å; C429-N442 VanDerWaalsContact CB-O 3.24Å; C429-N442 WeakPolarHBondContact CB-O 3.34Å; C429-N442 PolarHBondContact N-O 2.84Å; N442-H446 HydrophobicContact CB-CB 4.04Å; N442-P452 PolarHBondContact ND2-O 2.99Å
443	S	83.6	Confident	78.4	Confident	15 Å²	15	49.6 Å²	49.6	11%	0.105	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-62.6	155.5	171.1	45.3	0	0	0	0	111.8	S389 E425 F427 H446	S389-S443 WeakPolarHBondContact OG-CA 3.39Å; S389-S443 PolarHBondContact OG-N 3.28Å; E425-S443 VanDerWaalsContact O-CB 3.29Å; E425-S443 WeakPolarHBondContact O-CB 3.46Å; F427-S443 CarbonylContact O-C 3.6Å; F427-S443 WeakPolarHBondContact O-CA 3.34Å; S443-H446 WeakPolarHBondContact O-CB 3.35Å; S443-H446 PolarHBondContact O-CD2 3.41Å; S443-H446 PolarHBondContact O-N 3.42Å
444	M	79.6	Confident	78.5	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.079	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	153.6	170	-78.7	-62.4	-63.9	0	0	111	C302 D424 F427 T428 C429 H446	C302-M444 HydrophobicContact CB-CE 3.72Å; D424-M444 VanDerWaalsContact O-CB 3.27Å; D424-M444 WeakPolarHBondContact O-CB 3.38Å; F427-M444 HydrophobicContact CB-CG 4.09Å; F427-M444 WeakPolarHBondContact O-CG 3.28Å; F427-M444 PolarHBondContact O-N 3.25Å; T428-M444 WeakPolarHBondContact O-CG 3.23Å; T428-M444 VanDerWaalsContact O-SD 3.42Å; C429-M444 VanDerWaalsContact CA-SD 3.51Å; M444-H446 PolarHBondContact O-N 2.96Å; M444-H446 VanDerWaalsContact O-N 3.13Å
445	N	73.6	Confident	78.8	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.193	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	3.5	-178.8	-67.3	-35.9	0	0	0	116.7	D424 G447 K448	D424-N445 VanDerWaalsContact CB-ND2 3.26Å; D424-N445 WeakPolarHBondContact CB-ND2 3.15Å; D424-N445 PolarHBondContact OD2-ND2 2.65Å; D424-N445 VanDerWaalsContact OD2-ND2 3.1Å; N445-G447 PolarHBondContact O-N 3.4Å; N445-K448 HydrophobicContact CB-CD 4.15Å; N445-K448 WeakPolarHBondContact O-CB 3.2Å; N445-K448 PolarHBondContact O-N 3.31Å; N445-K448 WeakPolarHBondContact OD1-CE 3.4Å; N445-K448 PolarHBondContact OD1-NZ 2.82Å; N445-K448 VanDerWaalsContact OD1-NZ 3.15Å
446	H	77.4	Confident	78.9	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.019	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-53.5	-27.3	176.5	76.5	83.4	0	0	0	113.9	C429 C440 N442 S443 M444 K448 E449 G450 V451 H453	C429-H446 PolarHBondContact SG-NE2 3.04Å; C429-H446 VanDerWaalsContact SG-NE2 3.37Å; C440-H446 PolarHBondContact SG-NE2 3.35Å; C440-H446 VanDerWaalsContact SG-NE2 3.36Å; N442-H446 HydrophobicContact CB-CB 4.04Å; S443-H446 WeakPolarHBondContact O-CB 3.35Å; S443-H446 PolarHBondContact O-CD2 3.41Å; S443-H446 PolarHBondContact O-N 3.42Å; M444-H446 PolarHBondContact O-N 2.96Å; M444-H446 VanDerWaalsContact O-N 3.13Å; H446-K448 VanDerWaalsContact C-N 3.31Å; H446-K448 PolarHBondContact O-N 3.22Å; H446-E449 PolarHBondContact O-N 3.35Å; H446-G450 PolarHBondContact O-N 3.47Å; H446-V451 HydrophobicContact CB-CB 4.19Å; H446-V451 PolarHBondContact CE1-O 3.24Å; H446-V451 PolarHBondContact ND1-O 2.66Å; H446-V451 PolarHBondContact O-N 3.09Å; H446-V451 VanDerWaalsContact O-N 3.12Å; H446-H453 AromaticContact CE1-CE1 3.54Å; H446-H453 AromaticContact CE1-CG 3.58Å; H446-H453 AromaticContact CE1-ND1 3.19Å; H446-H453 PolarHBondContact CE1-ND1 3.42Å; H446-H453 AromaticContact NE2-CE1 3.26Å; H446-H453 PolarHBondContact NE2-CE1 3.03Å; H446-H453 VanDerWaalsContact NE2-CE1 3.26Å; H446-H453 AromaticContact NE2-CG 3.79Å; H446-H453 AromaticContact NE2-ND1 2.94Å; H446-H453 PolarHBondContact NE2-ND1 3.14Å
447	G	70.9	Confident	79	Confident	51 Å²	51	56 Å²	56	53%	0.526	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.7	-28.7	174.1	0	0	0	0	0	114.3	N445 E449 G450	N445-G447 PolarHBondContact O-N 3.4Å; G447-E449 VanDerWaalsContact C-N 3.26Å; G447-E449 PolarHBondContact O-N 2.73Å; G447-G450 PolarHBondContact O-N 3.14Å
448	K	71.4	Confident	79.1	Confident	164 Å²	164	65.2 Å²	65.2	71%	0.713	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-69.7	-27.2	174.1	-64.1	179.5	-176.7	161.9	0	111.8	N445 H446 G450	N445-K448 HydrophobicContact CB-CD 4.15Å; N445-K448 WeakPolarHBondContact O-CB 3.2Å; N445-K448 PolarHBondContact O-N 3.31Å; N445-K448 WeakPolarHBondContact OD1-CE 3.4Å; N445-K448 PolarHBondContact OD1-NZ 2.82Å; N445-K448 VanDerWaalsContact OD1-NZ 3.15Å; H446-K448 VanDerWaalsContact C-N 3.31Å; H446-K448 PolarHBondContact O-N 3.22Å; K448-G450 VanDerWaalsContact C-N 3.26Å
449	E	69.4	Low	78.9	Confident	122 Å²	122	63.4 Å²	63.4	57%	0.57	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-85.9	1.8	177.5	-57.2	179.2	161.5	0	0	112.3	H446 G447 V451	H446-E449 PolarHBondContact O-N 3.35Å; G447-E449 VanDerWaalsContact C-N 3.26Å; G447-E449 PolarHBondContact O-N 2.73Å; E449-V451 HydrophobicContact CB-CG2 4.22Å; E449-V451 PolarHBondContact O-N 2.99Å
450	G	70.1	Confident	78.4	Confident	66 Å²	66	71 Å²	71	68%	0.68	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	9.5	-177.8	0	0	0	0	0	114.2	H446 G447 K448	H446-G450 PolarHBondContact O-N 3.47Å; G447-G450 PolarHBondContact O-N 3.14Å; K448-G450 VanDerWaalsContact C-N 3.26Å
451	V	78.4	Confident	77.7	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.37	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-80.6	124.7	177.2	-178.7	0	0	0	0	109.1	H446 E449	H446-V451 HydrophobicContact CB-CB 4.19Å; H446-V451 PolarHBondContact CE1-O 3.24Å; H446-V451 PolarHBondContact ND1-O 2.66Å; H446-V451 PolarHBondContact O-N 3.09Å; H446-V451 VanDerWaalsContact O-N 3.12Å; E449-V451 HydrophobicContact CB-CG2 4.22Å; E449-V451 PolarHBondContact O-N 2.99Å
452	P	80.9	Confident	76.2	Confident	101 Å²	101	71.7 Å²	71.7	66%	0.656	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-70.6	155.7	178.9	29.1	-34.3	0	0	0	111.7	N442	N442-P452 PolarHBondContact ND2-O 2.99Å
453	H	82.9	Confident	74.5	Confident	45 Å²	45	77.8 Å²	77.8	21%	0.208	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-63.8	140	172.4	-66.2	-77.1	0	0	0	110.9	C429 S431 H446 W543	C429-H453 PolarHBondContact SG-CE1 3.42Å; S431-H453 VanDerWaalsContact CB-CE1 3.42Å; S431-H453 WeakPolarHBondContact CB-CE1 3.48Å; S431-H453 PolarHBondContact OG-CE1 3.1Å; H446-H453 AromaticContact CE1-CE1 3.54Å; H446-H453 AromaticContact CE1-CG 3.58Å; H446-H453 AromaticContact CE1-ND1 3.19Å; H446-H453 PolarHBondContact CE1-ND1 3.42Å; H446-H453 AromaticContact NE2-CE1 3.26Å; H446-H453 PolarHBondContact NE2-CE1 3.03Å; H446-H453 VanDerWaalsContact NE2-CE1 3.26Å; H446-H453 AromaticContact NE2-CG 3.79Å; H446-H453 AromaticContact NE2-ND1 2.94Å; H446-H453 PolarHBondContact NE2-ND1 3.14Å; H453-W543 HydrophobicContact CB-CB 4.14Å; H453-W543 HydrophobicContact CB-CD2 3.31Å; H453-W543 HydrophobicContact CB-CE3 3.91Å; H453-W543 HydrophobicContact CB-CG 3.4Å; H453-W543 VanDerWaalsContact CB-CG 3.4Å; H453-W543 HydrophobicContact CB-CZ2 4.04Å; H453-W543 HydrophobicContact CB-CZ3 4.48Å; H453-W543 AromaticContact CG-CD2 3.95Å; H453-W543 AromaticContact CG-CG 3.92Å; H453-W543 PolarHBondContact O-NE1 2.87Å; H453-W543 VanDerWaalsContact O-NE1 3.16Å
454	E	84.1	Confident	72.9	Confident	88 Å²	88	84.4 Å²	84.4	41%	0.411	43%	0.428	S	S	.	.			trans	-141.4	149.5	-176.4	-161	-174.4	160.3	0	0	110.8	C440 K441	C440-E454 CarbonylContact C-O 3.57Å; C440-E454 WeakPolarHBondContact CA-O 3.48Å; K441-E454 HydrophobicContact CD-CB 4.29Å; K441-E454 HydrophobicContact CD-CG 4.28Å; K441-E454 WeakPolarHBondContact CE-OE2 3.45Å; K441-E454 HydrophobicContact CG-CB 4.29Å; K441-E454 WeakPolarHBondContact CG-O 3.26Å; K441-E454 PolarHBondContact N-O 3.4Å; K441-E454 IonicContact NZ-OE1 2.82Å; K441-E454 PolarHBondContact NZ-OE1 2.88Å; K441-E454 IonicContact NZ-OE2 3.86Å; K441-E454 PolarHBondContact NZ-OE2 2.83Å
455	A	84.4	Confident	71.8	Confident	13 Å²	13	87 Å²	87	11%	0.107	44%	0.437	C	S	.	.			trans	-134.8	148.5	173.7	0	0	0	0	0	110.2	V438 W543	V438-A455 HydrophobicContact CG1-CB 3.81Å; A455-W543 HydrophobicContact CB-CH2 4.01Å; A455-W543 HydrophobicContact CB-CZ2 3.98Å
456	K	76.7	Confident	71	Confident	126 Å²	126	87 Å²	87	55%	0.548	44%	0.437	S	S	.	.	S	Bend	trans	-71.7	-39	-178.1	-73.5	-177.4	177.9	175.6	0	112.9	E383 K441	E383-K456 PolarHBondContact O-NZ 3.31Å; K441-K456 HydrophobicContact CD-CG 4.13Å
457	S	79.3	Confident	70.4	Confident	56 Å²	56	86.8 Å²	86.8	39%	0.392	44%	0.436	S	S	.	.	S	Bend	trans	-81.4	156.2	-178	60.9	0	0	0	0	111	H541	S457-H541 PolarHBondContact O-CE1 2.91Å; S457-H541 PolarHBondContact O-NE2 2.93Å
458	R	80.9	Confident	70.2	Confident	238 Å²	238	89.1 Å²	89.1	90%	0.898	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-65.5	147.3	169.6	-66	-177.7	178.8	178.6	-0.8	110.2
459	C	76.1	Confident	70.1	Confident	11 Å²	11	81.9 Å²	81.9	7%	0.074	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-77.7	161.3	174.9	-162	0	0	0	0	110.8	C436 N467 I539 V540 H541	C436-C459 VanDerWaalsContact SG-SG 3.61Å; C459-N467 PolarHBondContact SG-ND2 2.61Å; C459-N467 VanDerWaalsContact SG-ND2 3.4Å; C459-I539 HydrophobicContact CB-CG2 4.04Å; C459-I539 WeakPolarHBondContact O-CG2 3.49Å; C459-V540 WeakPolarHBondContact CB-O 3.44Å; C459-V540 PolarHBondContact SG-O 3.13Å; C459-V540 VanDerWaalsContact SG-O 3.41Å; C459-H541 HydrophobicContact CB-CB 4.41Å; C459-H541 PolarHBondContact SG-ND1 3.28Å
460	R	73.6	Confident	70.3	Confident	192 Å²	192	78.3 Å²	78.3	73%	0.725	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-95.3	142.3	171.5	-175.5	177.2	177.1	177.9	0.7	109.1	S435 C436 S462 N467	S435-R460 PolarHBondContact OG-O 2.78Å; C436-R460 HydrophobicContact CB-CB 4.19Å; R460-S462 PolarHBondContact O-N 2.96Å; R460-N467 PolarHBondContact O-ND2 2.8Å; R460-N467 PolarHBondContact O-OD1 2.99Å
461	Y	69.3	Low	70.8	Confident	47 Å²	47	75.5 Å²	75.5	18%	0.184	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.9	130.7	172.8	178.7	-113	0	0	0	110.8	H463 D466 N467 R468	Y461-H463 AromaticContact CE1-CD2 3.81Å; Y461-H463 AromaticContact CE1-CE1 3.49Å; Y461-H463 VanDerWaalsContact CE1-CE1 3.49Å; Y461-H463 WeakPolarHBondContact CE1-CE1 3.48Å; Y461-H463 AromaticContact CE1-CG 3.7Å; Y461-H463 AromaticContact CE1-ND1 3.47Å; Y461-H463 WeakPolarHBondContact CE1-ND1 3.42Å; Y461-H463 AromaticContact CE1-NE2 3.67Å; Y461-H463 AromaticContact CZ-ND1 3.81Å; Y461-H463 PolarHBondContact OH-ND1 3.37Å; Y461-D466 VanDerWaalsContact CE2-OD1 3.26Å; Y461-D466 WeakPolarHBondContact CE2-OD1 3.36Å; Y461-D466 PolarHBondContact OH-OD1 2.91Å; Y461-N467 VanDerWaalsContact CA-OD1 3.28Å; Y461-N467 WeakPolarHBondContact CA-OD1 3.42Å; Y461-N467 VanDerWaalsContact CD2-OD1 3.32Å; Y461-N467 WeakPolarHBondContact CD2-OD1 3.48Å; Y461-R468 HydrophobicContact CD2-CG 3.52Å; Y461-R468 VanDerWaalsContact CE2-CD 3.48Å; Y461-R468 HydrophobicContact CE2-CG 3.53Å; Y461-R468 VanDerWaalsContact CZ-NE 3.29Å
462	S	53	Low	70.8	Confident	27 Å²	27	72.6 Å²	72.6	19%	0.189	33%	0.332	C	S	.	.			trans	-128.5	121.2	171.3	175.6	0	0	0	0	110	S435 R460 Q464 Y465 D466 N467	S435-S462 WeakPolarHBondContact OG-CB 3.31Å; R460-S462 PolarHBondContact O-N 2.96Å; S462-Q464 PolarHBondContact O-N 3.47Å; S462-Q464 PolarHBondContact OG-N 2.84Å; S462-Y465 PolarHBondContact O-N 2.89Å; S462-Y465 VanDerWaalsContact O-N 3.13Å; S462-D466 PolarHBondContact O-N 3.27Å; S462-N467 PolarHBondContact N-OD1 2.84Å
463	H	49.6	Very low	71	Confident	155 Å²	155	71.3 Å²	71.3	72%	0.718	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.2	176.4	-71.3	-81.1	0	0	0	112.9	Y461 Y465	Y461-H463 AromaticContact CE1-CD2 3.81Å; Y461-H463 AromaticContact CE1-CE1 3.49Å; Y461-H463 VanDerWaalsContact CE1-CE1 3.49Å; Y461-H463 WeakPolarHBondContact CE1-CE1 3.48Å; Y461-H463 AromaticContact CE1-CG 3.7Å; Y461-H463 AromaticContact CE1-ND1 3.47Å; Y461-H463 WeakPolarHBondContact CE1-ND1 3.42Å; Y461-H463 AromaticContact CE1-NE2 3.67Å; Y461-H463 AromaticContact CZ-ND1 3.81Å; Y461-H463 PolarHBondContact OH-ND1 3.37Å; H463-Y465 VanDerWaalsContact C-N 3.29Å; H463-Y465 PolarHBondContact O-N 3.43Å
464	Q	49.6	Very low	70.9	Confident	154 Å²	154	70.9 Å²	70.9	72%	0.72	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-31.8	-180	-176.7	178.1	4.9	0	0	112.6	S462	S462-Q464 PolarHBondContact O-N 3.47Å; S462-Q464 PolarHBondContact OG-N 2.84Å
465	Y	55.6	Low	70.8	Confident	71 Å²	71	66.7 Å²	66.7	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-6.6	-175.5	-56.3	-68.7	0	0	0	113.4	L434 S462 H463 N467 V542	L434-Y465 HydrophobicContact CB-CD1 4.49Å; L434-Y465 HydrophobicContact CB-CE1 3.91Å; L434-Y465 HydrophobicContact CB-CE2 4.01Å; L434-Y465 HydrophobicContact CD1-CE1 4.15Å; L434-Y465 WeakPolarHBondContact O-CE2 3.42Å; S462-Y465 PolarHBondContact O-N 2.89Å; S462-Y465 VanDerWaalsContact O-N 3.13Å; H463-Y465 VanDerWaalsContact C-N 3.29Å; H463-Y465 PolarHBondContact O-N 3.43Å; Y465-N467 VanDerWaalsContact C-N 3.27Å; Y465-N467 PolarHBondContact O-N 3.03Å; Y465-V542 HydrophobicContact CD1-CG1 4.07Å; Y465-V542 HydrophobicContact CG-CG1 4.16Å; Y465-V542 HydrophobicContact CG-CG2 4.34Å
466	D	57.4	Low	70.6	Confident	34 Å²	34	71.5 Å²	71.5	18%	0.182	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	34.7	56.7	-171.5	-160.8	47.1	0	0	0	113.8	Y461 S462 R468	Y461-D466 VanDerWaalsContact CE2-OD1 3.26Å; Y461-D466 WeakPolarHBondContact CE2-OD1 3.36Å; Y461-D466 PolarHBondContact OH-OD1 2.91Å; S462-D466 PolarHBondContact O-N 3.27Å; D466-R468 PolarHBondContact O-N 2.85Å
467	N	64.7	Low	70.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	32%	0.322	C	S	.	.			trans	-79.5	38.9	-169.7	67.8	-41.9	0	0	0	114.1	C459 R460 Y461 S462 Y465 I539 V540 V542	C459-N467 PolarHBondContact SG-ND2 2.61Å; C459-N467 VanDerWaalsContact SG-ND2 3.4Å; R460-N467 PolarHBondContact O-ND2 2.8Å; R460-N467 PolarHBondContact O-OD1 2.99Å; Y461-N467 VanDerWaalsContact CA-OD1 3.28Å; Y461-N467 WeakPolarHBondContact CA-OD1 3.42Å; Y461-N467 VanDerWaalsContact CD2-OD1 3.32Å; Y461-N467 WeakPolarHBondContact CD2-OD1 3.48Å; S462-N467 PolarHBondContact N-OD1 2.84Å; Y465-N467 VanDerWaalsContact C-N 3.27Å; Y465-N467 PolarHBondContact O-N 3.03Å; N467-I539 VanDerWaalsContact ND2-CG2 3.29Å; N467-I539 WeakPolarHBondContact ND2-CG2 3.48Å; N467-I539 WeakPolarHBondContact O-CA 3.34Å; N467-V540 HydrophobicContact CB-CG2 4.47Å; N467-V540 WeakPolarHBondContact CB-O 3.22Å; N467-V540 PolarHBondContact ND2-O 2.8Å; N467-V540 PolarHBondContact O-N 3.41Å; N467-V542 HydrophobicContact CB-CG2 3.34Å
468	R	65.6	Low	71	Confident	100 Å²	100	76.5 Å²	76.5	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.9	174	-68	172.6	-173.5	-170.5	4.5	108.8	Y461 D466 E538	Y461-R468 HydrophobicContact CD2-CG 3.52Å; Y461-R468 VanDerWaalsContact CE2-CD 3.48Å; Y461-R468 HydrophobicContact CE2-CG 3.53Å; Y461-R468 VanDerWaalsContact CZ-NE 3.29Å; D466-R468 PolarHBondContact O-N 2.85Å; R468-E538 CarbonylContact C-O 3.58Å; R468-E538 WeakPolarHBondContact CA-O 2.99Å
469	V	70.9	Confident	70.8	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.4	172.4	-178.4	0	0	0	0	107.9	S483 E538 V540 F549	V469-S483 VanDerWaalsContact CG1-OG 3.29Å; V469-S483 WeakPolarHBondContact CG1-OG 3.27Å; V469-E538 PolarHBondContact N-O 2.91Å; V469-E538 PolarHBondContact O-N 2.92Å; V469-V540 HydrophobicContact CB-CG1 4.16Å; V469-V540 HydrophobicContact CG2-CB 4.28Å; V469-V540 HydrophobicContact CG2-CG1 3.65Å; V469-V540 HydrophobicContact CG2-CG2 3.6Å; V469-F549 HydrophobicContact CG2-CD1 3.61Å; V469-F549 HydrophobicContact CG2-CE1 3.88Å; V469-F549 HydrophobicContact CG2-CG 4.37Å
470	Y	74	Confident	70.6	Confident	47 Å²	47	72.5 Å²	72.5	18%	0.184	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.6	175.7	-59.3	-69.7	0	0	0	109.6	S483 V484 P486 V531 V535 R536 T537	Y470-S483 CarbonylContact O-C 3.55Å; Y470-S483 WeakPolarHBondContact O-CA 3.49Å; Y470-V484 WeakPolarHBondContact CB-O 3.39Å; Y470-V484 PolarHBondContact O-N 3.41Å; Y470-P486 HydrophobicContact CD2-CG 4.05Å; Y470-P486 HydrophobicContact CE2-CG 3.93Å; Y470-V531 HydrophobicContact CD1-CG2 4.31Å; Y470-V531 HydrophobicContact CE1-CG2 3.71Å; Y470-V535 HydrophobicContact CD1-CB 4.28Å; Y470-V535 HydrophobicContact CD1-CG2 3.46Å; Y470-V535 VanDerWaalsContact CD1-CG2 3.46Å; Y470-V535 HydrophobicContact CE1-CG2 4.21Å; Y470-V535 HydrophobicContact CG-CG2 4.02Å; Y470-R536 CarbonylContact C-O 3.45Å; Y470-R536 VanDerWaalsContact CA-O 3.31Å; Y470-R536 WeakPolarHBondContact CA-O 3.4Å; Y470-T537 HydrophobicContact CD1-CG2 3.59Å; Y470-T537 HydrophobicContact CE1-CG2 3.41Å; Y470-T537 VanDerWaalsContact CE1-CG2 3.41Å
471	T	79	Confident	70.6	Confident	6 Å²	6	69.1 Å²	69.1	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.4	171.3	49.3	0	0	0	0	110.3	K473 E481 V482 V535 R536	T471-K473 PolarHBondContact O-N 3.42Å; T471-E481 HydrophobicContact CG2-CG 4.03Å; T471-V482 CarbonylContact C-O 3.12Å; T471-V482 WeakPolarHBondContact CA-O 3.21Å; T471-V535 CarbonylContact O-C 3.57Å; T471-V535 WeakPolarHBondContact O-CA 2.94Å; T471-V535 WeakPolarHBondContact O-CB 3.41Å; T471-R536 PolarHBondContact N-O 2.92Å; T471-R536 PolarHBondContact O-N 3.32Å
472	C	79.9	Confident	70.7	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.007	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.2	-179.1	-178.9	0	0	0	0	110.8	A474 C475 Y476 V482 V484 C511	C472-A474 PolarHBondContact O-N 3.44Å; C472-C475 HydrophobicContact CB-CB 4.15Å; C472-C475 PolarHBondContact O-N 3.48Å; C472-Y476 PolarHBondContact O-N 2.94Å; C472-Y476 VanDerWaalsContact O-N 3.13Å; C472-V482 HydrophobicContact CB-CB 4.49Å; C472-V482 PolarHBondContact N-O 3.37Å; C472-V484 HydrophobicContact CB-CG1 3.89Å; C472-C511 HydrophobicContact CB-CB 4.23Å
473	K	83.4	Confident	71.4	Confident	73 Å²	73	69.9 Å²	69.9	32%	0.317	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-40.8	-179	-170.7	179.6	178.9	-179.9	0	112.3	T471 C475 Y476 E477 T533 V534 R536	T471-K473 PolarHBondContact O-N 3.42Å; K473-C475 PolarHBondContact O-N 3.23Å; K473-Y476 WeakPolarHBondContact O-CB 3.4Å; K473-Y476 PolarHBondContact O-N 3.12Å; K473-E477 WeakPolarHBondContact O-CG 3.32Å; K473-E477 PolarHBondContact O-N 2.78Å; K473-T533 WeakPolarHBondContact CD-O 3.25Å; K473-V534 WeakPolarHBondContact CB-O 3.36Å; K473-V534 PolarHBondContact N-O 2.97Å; K473-R536 HydrophobicContact CB-CG 4.42Å; K473-R536 HydrophobicContact CG-CG 4.36Å
474	A	82.3	Confident	72.2	Confident	36 Å²	36	62.6 Å²	62.6	30%	0.298	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-37.2	-179.6	0	0	0	0	0	113.2	C472 R478	C472-A474 PolarHBondContact O-N 3.44Å; A474-R478 VanDerWaalsContact O-CZ 3.24Å; A474-R478 PolarHBondContact O-NH1 2.98Å
475	C	81.1	Confident	72.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-42.5	172.2	-68.8	0	0	0	0	110.9	C472 K473 E477 R478 G479 E480 V482 C514	C472-C475 HydrophobicContact CB-CB 4.15Å; C472-C475 PolarHBondContact O-N 3.48Å; K473-C475 PolarHBondContact O-N 3.23Å; C475-E477 VanDerWaalsContact C-N 3.33Å; C475-E477 PolarHBondContact O-N 3.11Å; C475-R478 CarbonylContact O-C 3.43Å; C475-R478 WeakPolarHBondContact O-CA 3.29Å; C475-R478 WeakPolarHBondContact O-CB 3.37Å; C475-R478 PolarHBondContact O-N 3.13Å; C475-R478 PolarHBondContact SG-NH2 3.46Å; C475-R478 VanDerWaalsContact SG-NH2 3.38Å; C475-G479 PolarHBondContact O-N 3.18Å; C475-E480 CarbonylContact C-O 3.55Å; C475-E480 HydrophobicContact CB-CB 4.17Å; C475-E480 VanDerWaalsContact CB-O 3.28Å; C475-E480 WeakPolarHBondContact CB-O 3.46Å; C475-E480 PolarHBondContact O-N 3.49Å; C475-V482 HydrophobicContact CB-CB 4.16Å; C475-V482 HydrophobicContact CB-CG2 3.86Å; C475-C514 PolarHBondContact SG-SG 3.01Å
476	Y	81.1	Confident	72.5	Confident	115 Å²	115	54.8 Å²	54.8	45%	0.451	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-41.9	-178.9	-178.5	-96	0	0	0	112.2	C472 K473 R478 G479 E480 R536	C472-Y476 PolarHBondContact O-N 2.94Å; C472-Y476 VanDerWaalsContact O-N 3.13Å; K473-Y476 WeakPolarHBondContact O-CB 3.4Å; K473-Y476 PolarHBondContact O-N 3.12Å; Y476-R478 PolarHBondContact O-N 2.84Å; Y476-G479 PolarHBondContact O-N 3.06Å; Y476-E480 WeakPolarHBondContact CA-O 3.35Å; Y476-E480 PolarHBondContact N-O 2.92Å; Y476-R536 VanDerWaalsContact CG-NH1 3.32Å; Y476-R536 PolarHBondContact OH-NH1 3.43Å
477	E	83.4	Confident	72.3	Confident	141 Å²	141	57.1 Å²	57.1	66%	0.659	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-19.9	175.6	-72.3	171.2	-179.6	0	0	113.2	K473 C475	K473-E477 WeakPolarHBondContact O-CG 3.32Å; K473-E477 PolarHBondContact O-N 2.78Å; C475-E477 VanDerWaalsContact C-N 3.33Å; C475-E477 PolarHBondContact O-N 3.11Å
478	R	81.4	Confident	71.3	Confident	145 Å²	145	59.3 Å²	59.3	55%	0.547	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.5	172.3	-64.5	-172.4	-61.9	-89.6	1.2	113.7	A474 C475 Y476 C514	A474-R478 VanDerWaalsContact O-CZ 3.24Å; A474-R478 PolarHBondContact O-NH1 2.98Å; C475-R478 CarbonylContact O-C 3.43Å; C475-R478 WeakPolarHBondContact O-CA 3.29Å; C475-R478 WeakPolarHBondContact O-CB 3.37Å; C475-R478 PolarHBondContact O-N 3.13Å; C475-R478 PolarHBondContact SG-NH2 3.46Å; C475-R478 VanDerWaalsContact SG-NH2 3.38Å; Y476-R478 PolarHBondContact O-N 2.84Å; R478-C514 PolarHBondContact NH2-SG 3.43Å
479	G	75.6	Confident	70.5	Confident	72 Å²	72	57 Å²	57	74%	0.742	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	11.2	-178.3	0	0	0	0	0	115	C475 Y476	C475-G479 PolarHBondContact O-N 3.18Å; Y476-G479 PolarHBondContact O-N 3.06Å
480	E	73.1	Confident	69.3	Low	93 Å²	93	56.7 Å²	56.7	44%	0.435	30%	0.3	S	S	.	.			trans	-112.7	132.4	179.5	-65.7	-172.5	160.7	0	0	112	C475 Y476 N513	C475-E480 CarbonylContact C-O 3.55Å; C475-E480 HydrophobicContact CB-CB 4.17Å; C475-E480 VanDerWaalsContact CB-O 3.28Å; C475-E480 WeakPolarHBondContact CB-O 3.46Å; C475-E480 PolarHBondContact O-N 3.49Å; Y476-E480 WeakPolarHBondContact CA-O 3.35Å; Y476-E480 PolarHBondContact N-O 2.92Å; E480-N513 PolarHBondContact OE2-ND2 2.91Å
481	E	72.6	Confident	68	Low	121 Å²	121	58.7 Å²	58.7	57%	0.565	32%	0.321	S	S	*	.			trans	-101.4	104.6	178	-167.8	167.4	-146.2	0	0	111.2	T471	T471-E481 HydrophobicContact CG2-CG 4.03Å
482	V	72.1	Confident	66.3	Low	22 Å²	22	64.2 Å²	64.2	13%	0.133	36%	0.355	C	S	.	.			trans	-115.5	111.7	-178.3	-177.9	0	0	0	0	109.8	T471 C472 C475 V484 P512	T471-V482 CarbonylContact C-O 3.12Å; T471-V482 WeakPolarHBondContact CA-O 3.21Å; C472-V482 HydrophobicContact CB-CB 4.49Å; C472-V482 PolarHBondContact N-O 3.37Å; C475-V482 HydrophobicContact CB-CB 4.16Å; C475-V482 HydrophobicContact CB-CG2 3.86Å; V482-V484 HydrophobicContact CG1-CG1 4.49Å; V482-P512 HydrophobicContact CG1-CG 4.34Å
483	S	66.4	Low	64.4	Low	68 Å²	68	66.3 Å²	66.3	48%	0.476	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.6	172.7	-178.1	0	0	0	0	110.6	V469 Y470	V469-S483 VanDerWaalsContact CG1-OG 3.29Å; V469-S483 WeakPolarHBondContact CG1-OG 3.27Å; Y470-S483 CarbonylContact O-C 3.55Å; Y470-S483 WeakPolarHBondContact O-CA 3.49Å
484	V	67.3	Low	62.3	Low	3 Å²	3	65.8 Å²	65.8	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.7	-178.6	-63.8	0	0	0	0	110.1	Y470 C472 V482 I509 C511 V535	Y470-V484 WeakPolarHBondContact CB-O 3.39Å; Y470-V484 PolarHBondContact O-N 3.41Å; C472-V484 HydrophobicContact CB-CG1 3.89Å; V482-V484 HydrophobicContact CG1-CG1 4.49Å; V484-I509 HydrophobicContact CB-CG2 3.55Å; V484-I509 HydrophobicContact CG1-CG2 4.4Å; V484-I509 HydrophobicContact CG2-CG2 3.47Å; V484-I509 VanDerWaalsContact CG2-CG2 3.47Å; V484-C511 HydrophobicContact CG1-CB 3.85Å; V484-V535 HydrophobicContact CG2-CB 4.39Å; V484-V535 HydrophobicContact CG2-CG1 3.56Å
485	V	58	Low	60.3	Low	42 Å²	42	69.7 Å²	69.7	26%	0.255	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.7	-174.8	-175.8	0	0	0	0	108.6	K487 L550	V485-K487 PolarHBondContact O-N 2.93Å; V485-L550 HydrophobicContact CB-CD1 4.08Å; V485-L550 HydrophobicContact CB-CD2 4.41Å; V485-L550 HydrophobicContact CG1-CB 4.34Å; V485-L550 HydrophobicContact CG1-CD1 3.69Å; V485-L550 HydrophobicContact CG1-CD2 3.56Å; V485-L550 HydrophobicContact CG1-CG 4.02Å; V485-L550 HydrophobicContact CG2-CD1 3.31Å; V485-L550 HydrophobicContact CG2-CD2 4Å; V485-L550 HydrophobicContact CG2-CG 4.24Å
486	P	53.3	Low	58.3	Low	18 Å²	18	77.5 Å²	77.5	12%	0.117	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	124.9	166.2	-27	37.1	0	0	0	110.5	Y470 Y507 V508 I509 N553	Y470-P486 HydrophobicContact CD2-CG 4.05Å; Y470-P486 HydrophobicContact CE2-CG 3.93Å; P486-Y507 HydrophobicContact CB-CD2 3.61Å; P486-Y507 HydrophobicContact CB-CE2 4.25Å; P486-Y507 HydrophobicContact CB-CG 4.01Å; P486-Y507 HydrophobicContact CG-CD2 4.21Å; P486-Y507 HydrophobicContact CG-CE2 4.36Å; P486-V508 CarbonylContact C-O 3.57Å; P486-I509 HydrophobicContact CG-CG1 4.37Å; P486-N553 WeakPolarHBondContact CB-ND2 3.31Å; P486-N553 PolarHBondContact O-ND2 2.65Å
487	K	53	Low	56.2	Low	83 Å²	83	77.6 Å²	77.6	36%	0.361	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154.6	174.5	-61.5	-177.6	-170.5	173.2	0	109.9	V485 Y507 V508 E510	V485-K487 PolarHBondContact O-N 2.93Å; K487-Y507 CarbonylContact O-C 3.38Å; K487-Y507 WeakPolarHBondContact O-CA 3.34Å; K487-V508 PolarHBondContact N-O 3.38Å; K487-V508 PolarHBondContact O-N 2.91Å; K487-E510 IonicContact NZ-OE2 3.96Å; K487-E510 PolarHBondContact NZ-OE2 2.63Å
488	T	44.4	Very low	54	Low	46 Å²	46	71 Å²	71	28%	0.282	40%	0.399	S	S	.	.	S	Bend	trans	-89.9	-6.5	177.1	44.3	0	0	0	0	113.5	N553	T488-N553 HydrophobicContact CG2-CB 3.84Å
489	S	48.1	Very low	51.9	Low	53 Å²	53	67.7 Å²	67.7	37%	0.371	39%	0.392	S	S	.	.	S	Bend	trans	-150.6	151	173.9	53.3	0	0	0	0	110.3
490	A	44.9	Very low	50.1	Low	6 Å²	6	66.2 Å²	66.2	5%	0.05	37%	0.373	C	S	.	.			trans	-72	144.9	168.5	0	0	0	0	0	109.6	T492 D493 V516	A490-T492 PolarHBondContact O-N 3.44Å; A490-D493 PolarHBondContact O-N 3.04Å; A490-V516 HydrophobicContact CB-CG2 4.37Å
491	S	48.1	Very low	48.4	Very low	89 Å²	89	68 Å²	68	62%	0.622	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.5	-177.2	63.4	0	0	0	0	114.3	E510	S491-E510 PolarHBondContact OG-OE1 2.6Å; S491-E510 PolarHBondContact OG-OE2 2.77Å
492	T	42.1	Very low	46.8	Very low	121 Å²	121	63.5 Å²	63.5	74%	0.742	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.8	-177.1	56.1	0	0	0	0	114.9	A490	A490-T492 PolarHBondContact O-N 3.44Å
493	D	40.2	Very low	45	Very low	45 Å²	45	63.2 Å²	63.2	24%	0.241	36%	0.357	C	S	.	.	S	Bend	trans	-96	143.5	-175.7	-76.4	-48.3	0	0	0	112.2	A490 Y502	A490-D493 PolarHBondContact O-N 3.04Å; D493-Y502 WeakPolarHBondContact OD2-CE2 3.42Å; D493-Y502 PolarHBondContact OD2-OH 2.91Å; D493-Y502 VanDerWaalsContact OD2-OH 3.07Å
494	S	40.3	Very low	43.6	Very low	63 Å²	63	67.6 Å²	67.6	44%	0.441	36%	0.363	S	S	.	.			trans	-63.9	147.3	176.2	90.7	0	0	0	0	110.9	W496 M497 G498	S494-W496 PolarHBondContact O-N 2.85Å; S494-M497 PolarHBondContact O-N 3.33Å; S494-M497 WeakPolarHBondContact OG-CB 3.21Å; S494-M497 PolarHBondContact OG-N 3.16Å; S494-G498 PolarHBondContact O-N 3.41Å
495	P	39.4	Very low	42.2	Very low	118 Å²	118	68.7 Å²	68.7	77%	0.766	37%	0.371	S	S	*	.	H	α-helix	trans	-53.8	-33.4	-169.2	-27.8	33.7	0	0	0	114.6	L499	P495-L499 VanDerWaalsContact O-CD1 3.29Å; P495-L499 WeakPolarHBondContact O-CD1 3.29Å; P495-L499 WeakPolarHBondContact O-CG 3.47Å
496	W	39.2	Very low	41.6	Very low	163 Å²	163	68.1 Å²	68.1	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-90.3	-36.8	177.5	179.5	-107.9	0	0	0	113.4	S494 G498 L499 A500	S494-W496 PolarHBondContact O-N 2.85Å; W496-G498 VanDerWaalsContact C-N 3.32Å; W496-G498 PolarHBondContact O-N 3.32Å; W496-L499 PolarHBondContact O-N 3.05Å; W496-A500 WeakPolarHBondContact O-CB 3.42Å; W496-A500 PolarHBondContact O-N 2.91Å
497	M	37.6	Very low	41.7	Very low	117 Å²	117	70.4 Å²	70.4	58%	0.576	38%	0.38	S	S	*	.	H	α-helix	trans	-68.2	-35.4	178.9	-157.5	80.1	75.8	0	0	110.9	S494 K501	S494-M497 PolarHBondContact O-N 3.33Å; S494-M497 WeakPolarHBondContact OG-CB 3.21Å; S494-M497 PolarHBondContact OG-N 3.16Å; M497-K501 WeakPolarHBondContact O-CB 3.47Å; M497-K501 PolarHBondContact O-N 3.27Å
498	G	37.8	Very low	42.1	Very low	2 Å²	2	66.7 Å²	66.7	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-66.7	-41.8	171.1	0	0	0	0	0	112.4	S494 W496 Y502	S494-G498 PolarHBondContact O-N 3.41Å; W496-G498 VanDerWaalsContact C-N 3.32Å; W496-G498 PolarHBondContact O-N 3.32Å; G498-Y502 WeakPolarHBondContact O-CB 3.23Å; G498-Y502 WeakPolarHBondContact O-CD2 3.26Å; G498-Y502 PolarHBondContact O-N 2.89Å
499	L	37	Very low	43.3	Very low	76 Å²	76	64.5 Å²	64.5	40%	0.398	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-42	174.7	-83.4	165.7	0	0	0	112.3	P495 W496 A503	P495-L499 VanDerWaalsContact O-CD1 3.29Å; P495-L499 WeakPolarHBondContact O-CD1 3.29Å; P495-L499 WeakPolarHBondContact O-CG 3.47Å; W496-L499 PolarHBondContact O-N 3.05Å; L499-A503 VanDerWaalsContact O-CA 3.22Å; L499-A503 WeakPolarHBondContact O-CA 3.4Å; L499-A503 WeakPolarHBondContact O-CB 3.45Å; L499-A503 PolarHBondContact O-N 3Å
500	A	36.6	Very low	44.3	Very low	41 Å²	41	63.2 Å²	63.2	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-73.3	-34	179.4	0	0	0	0	0	113.2	W496 W585	W496-A500 WeakPolarHBondContact O-CB 3.42Å; W496-A500 PolarHBondContact O-N 2.91Å; A500-W585 HydrophobicContact CB-CH2 4.41Å
501	K	37.3	Very low	45.5	Very low	132 Å²	132	62.9 Å²	62.9	57%	0.574	34%	0.337	S	S	*	.	H	α-helix	trans	-80	-27.2	-179.5	-162.1	175.4	-172.6	-179	0	112.8	M497	M497-K501 WeakPolarHBondContact O-CB 3.47Å; M497-K501 PolarHBondContact O-N 3.27Å
502	Y	38.7	Very low	46.6	Very low	25 Å²	25	63.9 Å²	63.9	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-121.1	2.8	-176.3	-52.1	-71.7	0	0	0	115.9	D493 G498 W504 S505	D493-Y502 WeakPolarHBondContact OD2-CE2 3.42Å; D493-Y502 PolarHBondContact OD2-OH 2.91Å; D493-Y502 VanDerWaalsContact OD2-OH 3.07Å; G498-Y502 WeakPolarHBondContact O-CB 3.23Å; G498-Y502 WeakPolarHBondContact O-CD2 3.26Å; G498-Y502 PolarHBondContact O-N 2.89Å; Y502-W504 PolarHBondContact O-N 2.58Å; Y502-S505 WeakPolarHBondContact CA-OG 3.09Å; Y502-S505 WeakPolarHBondContact CB-OG 3.24Å; Y502-S505 WeakPolarHBondContact CD1-OG 3.44Å; Y502-S505 PolarHBondContact O-N 2.91Å; Y502-S505 PolarHBondContact O-OG 2.85Å
503	A	35.2	Very low	48.3	Very low	16 Å²	16	62.6 Å²	62.6	13%	0.132	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-29	172.9	0	0	0	0	0	114.4	L499 L560	L499-A503 VanDerWaalsContact O-CA 3.22Å; L499-A503 WeakPolarHBondContact O-CA 3.4Å; L499-A503 WeakPolarHBondContact O-CB 3.45Å; L499-A503 PolarHBondContact O-N 3Å; A503-L560 HydrophobicContact CB-CD1 3.24Å; A503-L560 HydrophobicContact CB-CG 4.16Å
504	W	37.9	Very low	49.8	Very low	161 Å²	161	62.8 Å²	62.8	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	3.4	-176	-56.8	90.8	0	0	0	112.9	Y502 R521 L560	Y502-W504 PolarHBondContact O-N 2.58Å; W504-R521 WeakPolarHBondContact O-CD 3.4Å; W504-R521 PolarHBondContact O-NH1 2.88Å; W504-L560 HydrophobicContact CZ2-CD1 4.31Å
505	S	36.3	Very low	51.2	Low	26 Å²	26	61.3 Å²	61.3	18%	0.182	33%	0.328	C	S	.	.	S	Bend	trans	-105.5	10	-168.4	73.7	0	0	0	0	115.3	Y502 S520 R521	Y502-S505 WeakPolarHBondContact CA-OG 3.09Å; Y502-S505 WeakPolarHBondContact CB-OG 3.24Å; Y502-S505 WeakPolarHBondContact CD1-OG 3.44Å; Y502-S505 PolarHBondContact O-N 2.91Å; Y502-S505 PolarHBondContact O-OG 2.85Å; S505-S520 PolarHBondContact O-OG 2.76Å; S505-R521 WeakPolarHBondContact O-CB 3.37Å; S505-R521 WeakPolarHBondContact O-CG 3.42Å
506	G	47.1	Very low	52.6	Low	29 Å²	29	58.1 Å²	58.1	30%	0.299	31%	0.306	S	S	.	.			trans	68.4	-154.6	-178.3	0	0	0	0	0	113.9	S520	G506-S520 VanDerWaalsContact C-OG 3.25Å; G506-S520 VanDerWaalsContact CA-OG 3.24Å; G506-S520 WeakPolarHBondContact CA-OG 3.33Å
507	Y	55.4	Low	54	Low	67 Å²	67	51.8 Å²	51.8	26%	0.263	29%	0.286	S	S	.	.			trans	-94.7	161	-179.8	67.2	-88.7	0	0	0	113.3	P486 K487 I509 Y518 S520 P530	P486-Y507 HydrophobicContact CB-CD2 3.61Å; P486-Y507 HydrophobicContact CB-CE2 4.25Å; P486-Y507 HydrophobicContact CB-CG 4.01Å; P486-Y507 HydrophobicContact CG-CD2 4.21Å; P486-Y507 HydrophobicContact CG-CE2 4.36Å; K487-Y507 CarbonylContact O-C 3.38Å; K487-Y507 WeakPolarHBondContact O-CA 3.34Å; Y507-I509 HydrophobicContact CD2-CG1 4.05Å; Y507-I509 HydrophobicContact CE2-CD1 4.04Å; Y507-I509 HydrophobicContact CE2-CG1 3.94Å; Y507-Y518 HydrophobicContact CD2-CD1 4.31Å; Y507-Y518 AromaticContact CE2-CD1 3.64Å; Y507-Y518 HydrophobicContact CE2-CD1 3.64Å; Y507-Y518 AromaticContact CE2-CE1 3.64Å; Y507-Y518 HydrophobicContact CE2-CE1 3.64Å; Y507-Y518 AromaticContact CZ-CE1 3.77Å; Y507-S520 PolarHBondContact N-OG 2.9Å; Y507-S520 WeakPolarHBondContact O-CB 3.21Å; Y507-S520 PolarHBondContact O-N 2.98Å; Y507-S520 PolarHBondContact O-OG 3.22Å; Y507-P530 HydrophobicContact CE2-CG 4.44Å; Y507-P530 WeakPolarHBondContact OH-CD 3.41Å; Y507-P530 VanDerWaalsContact OH-CG 3.25Å; Y507-P530 WeakPolarHBondContact OH-CG 3.39Å
508	V	61.2	Low	55.2	Low	4 Å²	4	47.2 Å²	47.2	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.7	176.3	174.7	0	0	0	0	108	P486 K487 V516 Y518 R519	P486-V508 CarbonylContact C-O 3.57Å; K487-V508 PolarHBondContact N-O 3.38Å; K487-V508 PolarHBondContact O-N 2.91Å; V508-V516 HydrophobicContact CG1-CB 4.25Å; V508-V516 HydrophobicContact CG1-CG1 3.43Å; V508-V516 VanDerWaalsContact CG1-CG1 3.43Å; V508-V516 HydrophobicContact CG1-CG2 3.87Å; V508-Y518 CarbonylContact C-O 3.37Å; V508-Y518 VanDerWaalsContact CA-O 3.31Å; V508-Y518 WeakPolarHBondContact CA-O 3.32Å; V508-Y518 WeakPolarHBondContact CG1-O 3.3Å; V508-R519 HydrophobicContact CG2-CG 4.36Å
509	I	68.7	Low	56.4	Low	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.7	169.9	-54.5	176.7	0	0	0	107.7	V484 P486 Y507 V517 Y518 P530 V535	V484-I509 HydrophobicContact CB-CG2 3.55Å; V484-I509 HydrophobicContact CG1-CG2 4.4Å; V484-I509 HydrophobicContact CG2-CG2 3.47Å; V484-I509 VanDerWaalsContact CG2-CG2 3.47Å; P486-I509 HydrophobicContact CG-CG1 4.37Å; Y507-I509 HydrophobicContact CD2-CG1 4.05Å; Y507-I509 HydrophobicContact CE2-CD1 4.04Å; Y507-I509 HydrophobicContact CE2-CG1 3.94Å; I509-V517 HydrophobicContact CB-CG2 3.99Å; I509-V517 HydrophobicContact CG2-CG2 3.71Å; I509-V517 WeakPolarHBondContact O-CG2 3.36Å; I509-V517 PolarHBondContact O-N 3.12Å; I509-Y518 HydrophobicContact CD1-CD1 4.02Å; I509-Y518 HydrophobicContact CD1-CG 4.27Å; I509-Y518 HydrophobicContact CG1-CD1 4.11Å; I509-Y518 HydrophobicContact CG1-CG 4.45Å; I509-Y518 PolarHBondContact N-O 3.3Å; I509-Y518 PolarHBondContact O-N 2.67Å; I509-Y518 VanDerWaalsContact O-N 3.16Å; I509-P530 HydrophobicContact CD1-CB 3.67Å; I509-P530 HydrophobicContact CD1-CG 4.23Å; I509-V535 HydrophobicContact CD1-CG1 3.76Å; I509-V535 HydrophobicContact CD1-CG2 4.31Å; I509-V535 HydrophobicContact CG2-CG1 4.01Å
510	E	69.1	Low	57	Low	26 Å²	26	49.7 Å²	49.7	12%	0.121	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.9	-179.1	-174.8	-176	-144.7	0	0	109.5	K487 S491 G515 V516	K487-E510 IonicContact NZ-OE2 3.96Å; K487-E510 PolarHBondContact NZ-OE2 2.63Å; S491-E510 PolarHBondContact OG-OE1 2.6Å; S491-E510 PolarHBondContact OG-OE2 2.77Å; E510-G515 CarbonylContact C-O 3.58Å; E510-G515 WeakPolarHBondContact CA-O 3.13Å; E510-V516 HydrophobicContact CG-CG2 4.38Å
511	C	71.3	Confident	57.6	Low	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.4	172.1	177.9	0	0	0	0	109.4	C472 V484 N513 C514 G515 V517	C472-C511 HydrophobicContact CB-CB 4.23Å; V484-C511 HydrophobicContact CG1-CB 3.85Å; C511-N513 PolarHBondContact O-N 2.95Å; C511-N513 VanDerWaalsContact O-N 3.16Å; C511-N513 PolarHBondContact SG-N 3.49Å; C511-C514 HydrophobicContact CB-CB 3.87Å; C511-C514 PolarHBondContact O-N 2.87Å; C511-G515 PolarHBondContact N-O 2.79Å; C511-G515 VanDerWaalsContact O-CA 3.31Å; C511-G515 WeakPolarHBondContact O-CA 3.45Å; C511-G515 PolarHBondContact O-N 3.35Å; C511-V517 HydrophobicContact CB-CG1 3.74Å; C511-V517 HydrophobicContact CB-CG2 4.41Å
512	P	71	Confident	57.7	Low	109 Å²	109	54.4 Å²	54.4	71%	0.708	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.3	175	-27.1	33.4	0	0	0	114.3	V482	V482-P512 HydrophobicContact CG1-CG 4.34Å
513	N	76.9	Confident	57.6	Low	95 Å²	95	60 Å²	60	51%	0.508	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-26.8	-176.9	-64.3	6.2	0	0	0	112.8	E480 C511	E480-N513 PolarHBondContact OE2-ND2 2.91Å; C511-N513 PolarHBondContact O-N 2.95Å; C511-N513 VanDerWaalsContact O-N 3.16Å; C511-N513 PolarHBondContact SG-N 3.49Å
514	C	72.1	Confident	57.6	Low	48 Å²	48	71 Å²	71	32%	0.324	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-4.1	-174.4	-54.3	0	0	0	0	114.2	C475 R478 C511 V517	C475-C514 PolarHBondContact SG-SG 3.01Å; R478-C514 PolarHBondContact NH2-SG 3.43Å; C511-C514 HydrophobicContact CB-CB 3.87Å; C511-C514 PolarHBondContact O-N 2.87Å; C514-V517 HydrophobicContact CB-CG1 3.54Å
515	G	69.4	Low	57.1	Low	32 Å²	32	69.8 Å²	69.8	33%	0.33	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.5	-148.3	-170.5	0	0	0	0	0	112.4	E510 C511 V517	E510-G515 CarbonylContact C-O 3.58Å; E510-G515 WeakPolarHBondContact CA-O 3.13Å; C511-G515 PolarHBondContact N-O 2.79Å; C511-G515 VanDerWaalsContact O-CA 3.31Å; C511-G515 WeakPolarHBondContact O-CA 3.45Å; C511-G515 PolarHBondContact O-N 3.35Å; G515-V517 PolarHBondContact O-N 2.78Å; G515-V517 VanDerWaalsContact O-N 3.12Å
516	V	68.4	Low	56.9	Low	51 Å²	51	71.8 Å²	71.8	31%	0.309	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	107.5	179.1	173.6	0	0	0	0	110.2	A490 V508 E510 R519	A490-V516 HydrophobicContact CB-CG2 4.37Å; V508-V516 HydrophobicContact CG1-CB 4.25Å; V508-V516 HydrophobicContact CG1-CG1 3.43Å; V508-V516 VanDerWaalsContact CG1-CG1 3.43Å; V508-V516 HydrophobicContact CG1-CG2 3.87Å; E510-V516 HydrophobicContact CG-CG2 4.38Å; V516-R519 HydrophobicContact CG1-CG 3.8Å
517	V	68.4	Low	56.6	Low	31 Å²	31	72.7 Å²	72.7	19%	0.188	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-20.3	-178.7	-64.5	0	0	0	0	113	I509 C511 C514 G515 V534	I509-V517 HydrophobicContact CB-CG2 3.99Å; I509-V517 HydrophobicContact CG2-CG2 3.71Å; I509-V517 WeakPolarHBondContact O-CG2 3.36Å; I509-V517 PolarHBondContact O-N 3.12Å; C511-V517 HydrophobicContact CB-CG1 3.74Å; C511-V517 HydrophobicContact CB-CG2 4.41Å; C514-V517 HydrophobicContact CB-CG1 3.54Å; G515-V517 PolarHBondContact O-N 2.78Å; G515-V517 VanDerWaalsContact O-N 3.12Å; V517-V534 WeakPolarHBondContact O-CG1 3.41Å
518	Y	64.3	Low	56.3	Low	21 Å²	21	76 Å²	76	8%	0.082	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.6	178	-170	-115.2	0	0	0	112.3	Y507 V508 I509 Q528 P530 V534	Y507-Y518 HydrophobicContact CD2-CD1 4.31Å; Y507-Y518 AromaticContact CE2-CD1 3.64Å; Y507-Y518 HydrophobicContact CE2-CD1 3.64Å; Y507-Y518 AromaticContact CE2-CE1 3.64Å; Y507-Y518 HydrophobicContact CE2-CE1 3.64Å; Y507-Y518 AromaticContact CZ-CE1 3.77Å; V508-Y518 CarbonylContact C-O 3.37Å; V508-Y518 VanDerWaalsContact CA-O 3.31Å; V508-Y518 WeakPolarHBondContact CA-O 3.32Å; V508-Y518 WeakPolarHBondContact CG1-O 3.3Å; I509-Y518 HydrophobicContact CD1-CD1 4.02Å; I509-Y518 HydrophobicContact CD1-CG 4.27Å; I509-Y518 HydrophobicContact CG1-CD1 4.11Å; I509-Y518 HydrophobicContact CG1-CG 4.45Å; I509-Y518 PolarHBondContact N-O 3.3Å; I509-Y518 PolarHBondContact O-N 2.67Å; I509-Y518 VanDerWaalsContact O-N 3.16Å; Y518-Q528 VanDerWaalsContact CE2-O 3.28Å; Y518-Q528 WeakPolarHBondContact CE2-O 3.44Å; Y518-Q528 PolarHBondContact OH-O 3.1Å; Y518-P530 HydrophobicContact CD1-CB 3.7Å; Y518-P530 HydrophobicContact CD1-CG 4.24Å; Y518-P530 HydrophobicContact CD2-CB 3.89Å; Y518-P530 HydrophobicContact CE1-CB 3.75Å; Y518-P530 HydrophobicContact CE1-CG 3.9Å; Y518-P530 HydrophobicContact CE2-CB 3.99Å; Y518-P530 HydrophobicContact CG-CB 3.76Å; Y518-V534 HydrophobicContact CD2-CG2 3.7Å; Y518-V534 HydrophobicContact CG-CG2 3.93Å
519	R	61.6	Low	56.1	Low	112 Å²	112	79.5 Å²	79.5	42%	0.423	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.7	166	-59.8	178.9	-177.3	-159.4	-1.3	108.1	V508 V516 R521 Q522	V508-R519 HydrophobicContact CG2-CG 4.36Å; V516-R519 HydrophobicContact CG1-CG 3.8Å; R519-R521 PolarHBondContact O-N 3.35Å; R519-Q522 HydrophobicContact CB-CB 4.11Å; R519-Q522 PolarHBondContact O-N 2.97Å
520	S	49.1	Very low	55.9	Low	18 Å²	18	79.5 Å²	79.5	13%	0.126	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.6	-176.6	61.6	0	0	0	0	114.8	S505 G506 Y507 N527	S505-S520 PolarHBondContact O-OG 2.76Å; G506-S520 VanDerWaalsContact C-OG 3.25Å; G506-S520 VanDerWaalsContact CA-OG 3.24Å; G506-S520 WeakPolarHBondContact CA-OG 3.33Å; Y507-S520 PolarHBondContact N-OG 2.9Å; Y507-S520 WeakPolarHBondContact O-CB 3.21Å; Y507-S520 PolarHBondContact O-N 2.98Å; Y507-S520 PolarHBondContact O-OG 3.22Å; S520-N527 PolarHBondContact O-ND2 3.43Å; S520-N527 VanDerWaalsContact O-ND2 3.09Å
521	R	49.9	Very low	55.7	Low	159 Å²	159	80.5 Å²	80.5	60%	0.6	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	51.5	174	-55.4	-171.9	-177.5	-171.2	-8.2	111.9	W504 S505 R519 Y523 N527	W504-R521 WeakPolarHBondContact O-CD 3.4Å; W504-R521 PolarHBondContact O-NH1 2.88Å; S505-R521 WeakPolarHBondContact O-CB 3.37Å; S505-R521 WeakPolarHBondContact O-CG 3.42Å; R519-R521 PolarHBondContact O-N 3.35Å; R521-Y523 VanDerWaalsContact C-N 3.29Å; R521-N527 WeakPolarHBondContact CA-ND2 3.45Å
522	Q	39.9	Very low	55.4	Low	112 Å²	112	86.3 Å²	86.3	52%	0.523	44%	0.437	S	S	.	.	S	Bend	trans	-66.4	-34.9	172.3	-169.3	164.4	-16.6	0	0	111.8	R519 N527	R519-Q522 HydrophobicContact CB-CB 4.11Å; R519-Q522 PolarHBondContact O-N 2.97Å; Q522-N527 PolarHBondContact N-OD1 3.41Å
523	Y	37.3	Very low	55.4	Low	143 Å²	143	82.9 Å²	82.9	56%	0.561	41%	0.413	S	S	*	.	S	Bend	trans	-122.4	148.6	175.6	-53.2	-75.8	0	0	0	109.6	R521 F525 N527	R521-Y523 VanDerWaalsContact C-N 3.29Å; Y523-F525 VanDerWaalsContact C-N 3.27Å; Y523-F525 WeakPolarHBondContact CB-O 3.45Å; Y523-F525 PolarHBondContact O-N 2.7Å; Y523-N527 PolarHBondContact N-OD1 2.75Å; Y523-N527 PolarHBondContact O-ND2 2.82Å; Y523-N527 PolarHBondContact O-OD1 2.81Å
524	W	33.9	Very low	55.3	Low	246 Å²	246	80.2 Å²	80.2	93%	0.932	40%	0.4	S	S	*	.	S	Bend	trans	-68.4	-26.7	-177.7	-80.2	79.6	0	0	0	113
525	F	27.1	Very low	55.6	Low	136 Å²	136	77.9 Å²	77.9	60%	0.596	39%	0.385	S	S	*	.	S	Bend	trans	-137.5	154.9	167.9	-68.3	-85.3	0	0	0	109.4	Y523	Y523-F525 VanDerWaalsContact C-N 3.27Å; Y523-F525 WeakPolarHBondContact CB-O 3.45Å; Y523-F525 PolarHBondContact O-N 2.7Å
526	G	32.1	Very low	56	Low	69 Å²	69	80.3 Å²	80.3	71%	0.711	38%	0.384	S	S	*	.			trans	82.7	19.3	171.9	0	0	0	0	0	116.7	Q528	G526-Q528 PolarHBondContact O-N 3.28Å; G526-Q528 VanDerWaalsContact O-N 3.15Å
527	N	41.6	Very low	56.2	Low	47 Å²	47	80.9 Å²	80.9	25%	0.251	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-65.7	118.1	169.4	-58.1	-62.2	0	0	0	108.8	S520 R521 Q522 Y523	S520-N527 PolarHBondContact O-ND2 3.43Å; S520-N527 VanDerWaalsContact O-ND2 3.09Å; R521-N527 WeakPolarHBondContact CA-ND2 3.45Å; Q522-N527 PolarHBondContact N-OD1 3.41Å; Y523-N527 PolarHBondContact N-OD1 2.75Å; Y523-N527 PolarHBondContact O-ND2 2.82Å; Y523-N527 PolarHBondContact O-OD1 2.81Å
528	Q	48.3	Very low	56.4	Low	137 Å²	137	82.8 Å²	82.8	64%	0.64	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-68.9	143.4	174.2	-67.2	-174.5	-19.8	0	0	109.5	Y518 G526 T533	Y518-Q528 VanDerWaalsContact CE2-O 3.28Å; Y518-Q528 WeakPolarHBondContact CE2-O 3.44Å; Y518-Q528 PolarHBondContact OH-O 3.1Å; G526-Q528 PolarHBondContact O-N 3.28Å; G526-Q528 VanDerWaalsContact O-N 3.15Å; Q528-T533 HydrophobicContact CB-CG2 3.34Å; Q528-T533 HydrophobicContact CG-CG2 4.25Å
529	D	56.9	Low	56.8	Low	77 Å²	77	85.3 Å²	85.3	41%	0.412	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-54.9	136.9	179.9	-170.1	-75.9	0	0	0	110.1	V531 D532 T533	D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 WeakPolarHBondContact OD1-CA 3.45Å; D529-V531 WeakPolarHBondContact OD1-CB 3.36Å; D529-V531 WeakPolarHBondContact OD1-CG2 3.28Å; D529-V531 PolarHBondContact OD1-N 3.32Å; D529-D532 HydrophobicContact CB-CB 4.36Å; D529-D532 PolarHBondContact O-N 2.92Å; D529-T533 PolarHBondContact O-N 3.12Å; D529-T533 PolarHBondContact O-OG1 2.73Å
530	P	64.8	Low	57.7	Low	1 Å²	1	81.6 Å²	81.6	1%	0.006	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-30.8	-179.1	28.6	-38.7	0	0	0	112	Y507 I509 Y518 D532 T533 V534 V535	Y507-P530 HydrophobicContact CE2-CG 4.44Å; Y507-P530 WeakPolarHBondContact OH-CD 3.41Å; Y507-P530 VanDerWaalsContact OH-CG 3.25Å; Y507-P530 WeakPolarHBondContact OH-CG 3.39Å; I509-P530 HydrophobicContact CD1-CB 3.67Å; I509-P530 HydrophobicContact CD1-CG 4.23Å; Y518-P530 HydrophobicContact CD1-CB 3.7Å; Y518-P530 HydrophobicContact CD1-CG 4.24Å; Y518-P530 HydrophobicContact CD2-CB 3.89Å; Y518-P530 HydrophobicContact CE1-CB 3.75Å; Y518-P530 HydrophobicContact CE1-CG 3.9Å; Y518-P530 HydrophobicContact CE2-CB 3.99Å; Y518-P530 HydrophobicContact CG-CB 3.76Å; P530-D532 VanDerWaalsContact C-N 3.29Å; P530-D532 PolarHBondContact O-N 2.86Å; P530-T533 WeakPolarHBondContact CA-OG1 3.4Å; P530-T533 PolarHBondContact O-N 3.37Å; P530-T533 PolarHBondContact O-OG1 3.03Å; P530-V534 HydrophobicContact CB-CG2 4.16Å; P530-V534 PolarHBondContact O-N 2.95Å; P530-V535 HydrophobicContact CB-CG2 3.93Å; P530-V535 WeakPolarHBondContact O-CG2 3.26Å; P530-V535 PolarHBondContact O-N 2.81Å
531	V	66.6	Low	59.1	Low	46 Å²	46	81.9 Å²	81.9	28%	0.279	40%	0.398	S	S	.	.	H	α-helix	trans	-66.9	-33.3	178.5	-174.9	0	0	0	0	111.5	Y470 D529 T533 V535 T537	Y470-V531 HydrophobicContact CD1-CG2 4.31Å; Y470-V531 HydrophobicContact CE1-CG2 3.71Å; D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 WeakPolarHBondContact OD1-CA 3.45Å; D529-V531 WeakPolarHBondContact OD1-CB 3.36Å; D529-V531 WeakPolarHBondContact OD1-CG2 3.28Å; D529-V531 PolarHBondContact OD1-N 3.32Å; V531-T533 VanDerWaalsContact C-N 3.31Å; V531-V535 CarbonylContact C-O 3.54Å; V531-V535 WeakPolarHBondContact CA-O 3.36Å; V531-V535 HydrophobicContact CG2-CG2 4.31Å; V531-T537 HydrophobicContact CB-CG2 4.24Å; V531-T537 HydrophobicContact CG1-CG2 3.65Å; V531-T537 HydrophobicContact CG2-CG2 3.49Å; V531-T537 VanDerWaalsContact CG2-CG2 3.49Å
532	D	64.4	Low	60.4	Low	123 Å²	123	74.7 Å²	74.7	66%	0.658	37%	0.372	S	S	*	.	H	α-helix	trans	-81	-16.1	178.6	-66.2	-33.3	0	0	0	112.3	D529 P530	D529-D532 HydrophobicContact CB-CB 4.36Å; D529-D532 PolarHBondContact O-N 2.92Å; P530-D532 VanDerWaalsContact C-N 3.29Å; P530-D532 PolarHBondContact O-N 2.86Å
533	T	70.5	Confident	62.4	Low	36 Å²	36	70.1 Å²	70.1	22%	0.221	35%	0.35	C	S	.	.	H	α-helix	trans	-117.2	-60.9	-169.7	51.4	0	0	0	0	114.4	K473 Q528 D529 P530 V531	K473-T533 WeakPolarHBondContact CD-O 3.25Å; Q528-T533 HydrophobicContact CB-CG2 3.34Å; Q528-T533 HydrophobicContact CG-CG2 4.25Å; D529-T533 PolarHBondContact O-N 3.12Å; D529-T533 PolarHBondContact O-OG1 2.73Å; P530-T533 WeakPolarHBondContact CA-OG1 3.4Å; P530-T533 PolarHBondContact O-N 3.37Å; P530-T533 PolarHBondContact O-OG1 3.03Å; V531-T533 VanDerWaalsContact C-N 3.31Å
534	V	75.8	Confident	64	Low	39 Å²	39	66.2 Å²	66.2	24%	0.236	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-14.4	-158.8	-64	0	0	0	0	114.5	K473 V517 Y518 P530	K473-V534 WeakPolarHBondContact CB-O 3.36Å; K473-V534 PolarHBondContact N-O 2.97Å; V517-V534 WeakPolarHBondContact O-CG1 3.41Å; Y518-V534 HydrophobicContact CD2-CG2 3.7Å; Y518-V534 HydrophobicContact CG-CG2 3.93Å; P530-V534 HydrophobicContact CB-CG2 4.16Å; P530-V534 PolarHBondContact O-N 2.95Å
535	V	77.5	Confident	65.4	Low	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.3	173.5	-56	0	0	0	0	111.9	Y470 T471 V484 I509 P530 V531	Y470-V535 HydrophobicContact CD1-CB 4.28Å; Y470-V535 HydrophobicContact CD1-CG2 3.46Å; Y470-V535 VanDerWaalsContact CD1-CG2 3.46Å; Y470-V535 HydrophobicContact CE1-CG2 4.21Å; Y470-V535 HydrophobicContact CG-CG2 4.02Å; T471-V535 CarbonylContact O-C 3.57Å; T471-V535 WeakPolarHBondContact O-CA 2.94Å; T471-V535 WeakPolarHBondContact O-CB 3.41Å; V484-V535 HydrophobicContact CG2-CB 4.39Å; V484-V535 HydrophobicContact CG2-CG1 3.56Å; I509-V535 HydrophobicContact CD1-CG1 3.76Å; I509-V535 HydrophobicContact CD1-CG2 4.31Å; I509-V535 HydrophobicContact CG2-CG1 4.01Å; P530-V535 HydrophobicContact CB-CG2 3.93Å; P530-V535 WeakPolarHBondContact O-CG2 3.26Å; P530-V535 PolarHBondContact O-N 2.81Å; V531-V535 CarbonylContact C-O 3.54Å; V531-V535 WeakPolarHBondContact CA-O 3.36Å; V531-V535 HydrophobicContact CG2-CG2 4.31Å
536	R	77.8	Confident	66.8	Low	82 Å²	82	55.1 Å²	55.1	31%	0.309	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.5	166.2	-65.8	179.7	62	-144.1	-11.1	108.6	Y470 T471 K473 Y476	Y470-R536 CarbonylContact C-O 3.45Å; Y470-R536 VanDerWaalsContact CA-O 3.31Å; Y470-R536 WeakPolarHBondContact CA-O 3.4Å; T471-R536 PolarHBondContact N-O 2.92Å; T471-R536 PolarHBondContact O-N 3.32Å; K473-R536 HydrophobicContact CB-CG 4.42Å; K473-R536 HydrophobicContact CG-CG 4.36Å; Y476-R536 VanDerWaalsContact CG-NH1 3.32Å; Y476-R536 PolarHBondContact OH-NH1 3.43Å
537	T	73	Confident	67.5	Low	64 Å²	64	57.9 Å²	57.9	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.9	175.4	41.9	0	0	0	0	110.6	Y470 V531	Y470-T537 HydrophobicContact CD1-CG2 3.59Å; Y470-T537 HydrophobicContact CE1-CG2 3.41Å; Y470-T537 VanDerWaalsContact CE1-CG2 3.41Å; V531-T537 HydrophobicContact CB-CG2 4.24Å; V531-T537 HydrophobicContact CG1-CG2 3.65Å; V531-T537 HydrophobicContact CG2-CG2 3.49Å; V531-T537 VanDerWaalsContact CG2-CG2 3.49Å
538	E	71.6	Confident	67.5	Low	70 Å²	70	58.4 Å²	58.4	33%	0.327	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137	172.1	-60.1	-153.3	153.7	0	0	110.6	R468 V469	R468-E538 CarbonylContact C-O 3.58Å; R468-E538 WeakPolarHBondContact CA-O 2.99Å; V469-E538 PolarHBondContact N-O 2.91Å; V469-E538 PolarHBondContact O-N 2.92Å
539	I	74.3	Confident	67.2	Low	75 Å²	75	55.4 Å²	55.4	39%	0.385	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.4	178.5	-56.2	170.7	0	0	0	108	C459 N467	C459-I539 HydrophobicContact CB-CG2 4.04Å; C459-I539 WeakPolarHBondContact O-CG2 3.49Å; N467-I539 VanDerWaalsContact ND2-CG2 3.29Å; N467-I539 WeakPolarHBondContact ND2-CG2 3.48Å; N467-I539 WeakPolarHBondContact O-CA 3.34Å
540	V	78.7	Confident	66.5	Low	33 Å²	33	55.8 Å²	55.8	20%	0.2	33%	0.332	C	S	.	.			trans	-101.7	156.8	-175.9	-59.7	0	0	0	0	112	C459 N467 V469 F549	C459-V540 WeakPolarHBondContact CB-O 3.44Å; C459-V540 PolarHBondContact SG-O 3.13Å; C459-V540 VanDerWaalsContact SG-O 3.41Å; N467-V540 HydrophobicContact CB-CG2 4.47Å; N467-V540 WeakPolarHBondContact CB-O 3.22Å; N467-V540 PolarHBondContact ND2-O 2.8Å; N467-V540 PolarHBondContact O-N 3.41Å; V469-V540 HydrophobicContact CB-CG1 4.16Å; V469-V540 HydrophobicContact CG2-CB 4.28Å; V469-V540 HydrophobicContact CG2-CG1 3.65Å; V469-V540 HydrophobicContact CG2-CG2 3.6Å; V540-F549 HydrophobicContact CB-CZ 4.46Å; V540-F549 HydrophobicContact CG2-CD1 4.18Å; V540-F549 HydrophobicContact CG2-CD2 3.87Å; V540-F549 HydrophobicContact CG2-CE1 4.03Å; V540-F549 HydrophobicContact CG2-CE2 3.71Å; V540-F549 HydrophobicContact CG2-CG 4.12Å; V540-F549 HydrophobicContact CG2-CZ 3.79Å
541	H	79.1	Confident	65.4	Low	24 Å²	24	61.9 Å²	61.9	11%	0.111	36%	0.358	C	S	.	.			trans	-73.3	145.5	172.9	-70.8	-84.6	0	0	0	111.3	C433 C436 S457 C459 W543	C433-H541 HydrophobicContact CB-CB 4.25Å; C436-H541 PolarHBondContact SG-CE1 3.42Å; C436-H541 PolarHBondContact SG-ND1 3.47Å; S457-H541 PolarHBondContact O-CE1 2.91Å; S457-H541 PolarHBondContact O-NE2 2.93Å; C459-H541 HydrophobicContact CB-CB 4.41Å; C459-H541 PolarHBondContact SG-ND1 3.28Å; H541-W543 HydrophobicContact CB-CD2 4.49Å; H541-W543 HydrophobicContact CB-CZ2 3.68Å
542	V	77.9	Confident	64.1	Low	9 Å²	9	63.8 Å²	63.8	6%	0.055	37%	0.367	C	S	.	.			trans	-110.4	112.5	-178.8	-174.6	0	0	0	0	108.2	C433 L434 Y465 N467	C433-V542 CarbonylContact C-O 3.56Å; C433-V542 VanDerWaalsContact CA-O 3.24Å; C433-V542 WeakPolarHBondContact CA-O 3.32Å; C433-V542 PolarHBondContact SG-N 3.45Å; L434-V542 HydrophobicContact CB-CB 4.31Å; L434-V542 HydrophobicContact CB-CG1 4.16Å; L434-V542 HydrophobicContact CD1-CG1 4.18Å; L434-V542 PolarHBondContact N-O 3.16Å; Y465-V542 HydrophobicContact CD1-CG1 4.07Å; Y465-V542 HydrophobicContact CG-CG1 4.16Å; Y465-V542 HydrophobicContact CG-CG2 4.34Å; N467-V542 HydrophobicContact CB-CG2 3.34Å
543	W	81.3	Confident	63	Low	16 Å²	16	60.1 Å²	60.1	6%	0.061	35%	0.347	C	S	.	.			trans	-103.5	149.9	-174.3	-57.8	106.6	0	0	0	111.8	S431 C433 C440 H453 A455 H541 G545 T546	S431-W543 WeakPolarHBondContact O-CZ3 3.35Å; C433-W543 HydrophobicContact CB-CE3 4.26Å; C433-W543 HydrophobicContact CB-CH2 4.16Å; C433-W543 HydrophobicContact CB-CZ3 4Å; C433-W543 VanDerWaalsContact N-CZ3 3.3Å; C440-W543 HydrophobicContact CB-CH2 4.11Å; C440-W543 HydrophobicContact CB-CZ3 4.01Å; H453-W543 HydrophobicContact CB-CB 4.14Å; H453-W543 HydrophobicContact CB-CD2 3.31Å; H453-W543 HydrophobicContact CB-CE3 3.91Å; H453-W543 HydrophobicContact CB-CG 3.4Å; H453-W543 VanDerWaalsContact CB-CG 3.4Å; H453-W543 HydrophobicContact CB-CZ2 4.04Å; H453-W543 HydrophobicContact CB-CZ3 4.48Å; H453-W543 AromaticContact CG-CD2 3.95Å; H453-W543 AromaticContact CG-CG 3.92Å; H453-W543 PolarHBondContact O-NE1 2.87Å; H453-W543 VanDerWaalsContact O-NE1 3.16Å; A455-W543 HydrophobicContact CB-CH2 4.01Å; A455-W543 HydrophobicContact CB-CZ2 3.98Å; H541-W543 HydrophobicContact CB-CD2 4.49Å; H541-W543 HydrophobicContact CB-CZ2 3.68Å; W543-G545 PolarHBondContact O-N 3.05Å; W543-T546 HydrophobicContact CB-CG2 4.11Å; W543-T546 PolarHBondContact N-OG1 3.41Å; W543-T546 PolarHBondContact O-N 3.48Å; W543-T546 PolarHBondContact O-OG1 3.1Å
544	P	71.9	Confident	61.5	Low	60 Å²	60	65 Å²	65	39%	0.39	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	132.4	172.8	-21.5	32.8	0	0	0	110.7	L432 L434 T546	L432-P544 WeakPolarHBondContact O-CD 3.31Å; L434-P544 HydrophobicContact CD2-CG 4.15Å; L434-P544 HydrophobicContact CG-CG 4.39Å; P544-T546 VanDerWaalsContact C-N 3.26Å; P544-T546 PolarHBondContact O-N 3.23Å
545	G	62.8	Low	60.1	Low	89 Å²	89	64 Å²	64	92%	0.918	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-9.5	177.3	0	0	0	0	0	115.9	W543	W543-G545 PolarHBondContact O-N 3.05Å
546	T	56.3	Low	58.3	Low	61 Å²	61	65.9 Å²	65.9	37%	0.374	38%	0.381	S	S	.	.	S	Bend	trans	-73.6	130.3	164.2	50.1	0	0	0	0	109.3	W543 P544 G548	W543-T546 HydrophobicContact CB-CG2 4.11Å; W543-T546 PolarHBondContact N-OG1 3.41Å; W543-T546 PolarHBondContact O-N 3.48Å; W543-T546 PolarHBondContact O-OG1 3.1Å; P544-T546 VanDerWaalsContact C-N 3.26Å; P544-T546 PolarHBondContact O-N 3.23Å; T546-G548 PolarHBondContact O-N 3.15Å
547	D	46.3	Very low	56.3	Low	126 Å²	126	64.6 Å²	64.6	67%	0.674	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-51.6	117.3	170.7	-88	-32.8	0	0	0	108	F549	D547-F549 PolarHBondContact O-N 3.16Å; D547-F549 VanDerWaalsContact O-N 3.14Å
548	G	42.4	Very low	54.8	Low	58 Å²	58	63.3 Å²	63.3	60%	0.598	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-49.3	125.5	-176.9	0	0	0	0	0	109.5	T546 L550	T546-G548 PolarHBondContact O-N 3.15Å; G548-L550 PolarHBondContact O-N 2.93Å
549	F	40.6	Very low	53.4	Low	74 Å²	74	61.8 Å²	61.8	33%	0.325	37%	0.369	S	S	.	.	S	Bend	trans	-47.7	106.9	178.6	-75.6	-91.9	0	0	0	108.7	V469 V540 D547	V469-F549 HydrophobicContact CG2-CD1 3.61Å; V469-F549 HydrophobicContact CG2-CE1 3.88Å; V469-F549 HydrophobicContact CG2-CG 4.37Å; V540-F549 HydrophobicContact CB-CZ 4.46Å; V540-F549 HydrophobicContact CG2-CD1 4.18Å; V540-F549 HydrophobicContact CG2-CD2 3.87Å; V540-F549 HydrophobicContact CG2-CE1 4.03Å; V540-F549 HydrophobicContact CG2-CE2 3.71Å; V540-F549 HydrophobicContact CG2-CG 4.12Å; V540-F549 HydrophobicContact CG2-CZ 3.79Å; D547-F549 PolarHBondContact O-N 3.16Å; D547-F549 VanDerWaalsContact O-N 3.14Å
550	L	44.1	Very low	51.8	Low	86 Å²	86	60.5 Å²	60.5	45%	0.45	36%	0.362	S	S	.	.			trans	46	80.8	153.9	-58.8	163.2	0	0	0	115	V485 G548 D552	V485-L550 HydrophobicContact CB-CD1 4.08Å; V485-L550 HydrophobicContact CB-CD2 4.41Å; V485-L550 HydrophobicContact CG1-CB 4.34Å; V485-L550 HydrophobicContact CG1-CD1 3.69Å; V485-L550 HydrophobicContact CG1-CD2 3.56Å; V485-L550 HydrophobicContact CG1-CG 4.02Å; V485-L550 HydrophobicContact CG2-CD1 3.31Å; V485-L550 HydrophobicContact CG2-CD2 4Å; V485-L550 HydrophobicContact CG2-CG 4.24Å; G548-L550 PolarHBondContact O-N 2.93Å; L550-D552 PolarHBondContact O-N 2.75Å
551	K	41	Very low	50	Low	128 Å²	128	63.3 Å²	63.3	56%	0.557	38%	0.375	S	S	*	.			trans	-61.1	121.6	167.8	-93.2	175.8	179.9	156.9	0	111.7	R758	K551-R758 VanDerWaalsContact NZ-NH1 3.19Å
552	D	38.3	Very low	48.2	Very low	87 Å²	87	64 Å²	64	47%	0.465	38%	0.38	S	S	.	.			trans	-49.6	147.3	-178.8	-76.3	-50.6	0	0	0	118	L550 N554	L550-D552 PolarHBondContact O-N 2.75Å; D552-N554 VanDerWaalsContact C-N 3.33Å; D552-N554 PolarHBondContact O-N 3.12Å; D552-N554 VanDerWaalsContact O-N 3.13Å
553	N	42.4	Very low	46.3	Very low	45 Å²	45	65 Å²	65	24%	0.241	39%	0.392	C	S	.	.			trans	-76.9	30	-172.4	-73.2	-51.4	0	0	0	116.7	P486 T488 N555	P486-N553 WeakPolarHBondContact CB-ND2 3.31Å; P486-N553 PolarHBondContact O-ND2 2.65Å; T488-N553 HydrophobicContact CG2-CB 3.84Å; N553-N555 PolarHBondContact O-N 3.29Å
554	N	39.5	Very low	44.3	Very low	139 Å²	139	69.4 Å²	69.4	74%	0.743	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	16.6	-173.9	-72.2	-20.1	0	0	0	115.6	D552	D552-N554 VanDerWaalsContact C-N 3.33Å; D552-N554 PolarHBondContact O-N 3.12Å; D552-N554 VanDerWaalsContact O-N 3.13Å
555	N	45.4	Very low	42.7	Very low	18 Å²	18	71 Å²	71	10%	0.096	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	10.3	-172.8	-59.6	-33.2	0	0	0	114.6	N553 A557 Q558 R559 P709 W760	N553-N555 PolarHBondContact O-N 3.29Å; N555-A557 PolarHBondContact O-N 2.74Å; N555-Q558 PolarHBondContact O-N 3.31Å; N555-R559 HydrophobicContact CB-CG 4.4Å; N555-R559 WeakPolarHBondContact O-CB 2.91Å; N555-R559 WeakPolarHBondContact O-CG 3.36Å; N555-R559 PolarHBondContact O-N 3.37Å; N555-P709 WeakPolarHBondContact OD1-CG 3.21Å; N555-W760 HydrophobicContact CB-CZ2 4.26Å
556	A	39.3	Very low	41.4	Very low	39 Å²	39	72.7 Å²	72.7	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-58.7	-45.5	-175.5	0	0	0	0	0	113.1	R559 L560	A556-R559 PolarHBondContact O-N 3.06Å; A556-L560 PolarHBondContact O-N 3.09Å
557	A	35.8	Very low	40.4	Very low	55 Å²	55	74.4 Å²	74.4	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-68.6	-40	179.8	0	0	0	0	0	113	N555 L560 L561	N555-A557 PolarHBondContact O-N 2.74Å; A557-L560 WeakPolarHBondContact O-CB 3.32Å; A557-L560 PolarHBondContact O-N 2.9Å; A557-L561 WeakPolarHBondContact O-CG 3.28Å; A557-L561 PolarHBondContact O-N 2.93Å
558	Q	42.6	Very low	39.9	Very low	38 Å²	38	71.1 Å²	71.1	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-71.1	-33.4	178.6	-167.2	65.5	32.9	0	0	112.3	N555 L560 L561 D562	N555-Q558 PolarHBondContact O-N 3.31Å; Q558-L560 VanDerWaalsContact C-N 3.31Å; Q558-L561 PolarHBondContact O-N 3.13Å; Q558-D562 WeakPolarHBondContact O-CB 3.44Å; Q558-D562 PolarHBondContact O-N 3.1Å
559	R	42.2	Very low	39.5	Very low	38 Å²	38	74.9 Å²	74.9	14%	0.143	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-34.2	174.4	-76	177.2	82	164.9	9.8	112.3	N555 A556 G563 G759 W760 D761	N555-R559 HydrophobicContact CB-CG 4.4Å; N555-R559 WeakPolarHBondContact O-CB 2.91Å; N555-R559 WeakPolarHBondContact O-CG 3.36Å; N555-R559 PolarHBondContact O-N 3.37Å; A556-R559 PolarHBondContact O-N 3.06Å; R559-G563 PolarHBondContact O-N 2.95Å; R559-G759 VanDerWaalsContact CZ-O 3.24Å; R559-G759 PolarHBondContact NH1-O 2.92Å; R559-W760 HydrophobicContact CB-CZ3 4.4Å; R559-W760 HydrophobicContact CG-CE3 4.03Å; R559-W760 HydrophobicContact CG-CH2 3.58Å; R559-W760 HydrophobicContact CG-CZ3 3.32Å; R559-D761 IonicContact NH2-OD2 3.31Å
560	L	39.4	Very low	39.1	Very low	48 Å²	48	74.6 Å²	74.6	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-67.7	-46	174.9	-135.6	168.7	0	0	0	111.1	A503 W504 A556 A557 Q558 G563 M564	A503-L560 HydrophobicContact CB-CD1 3.24Å; A503-L560 HydrophobicContact CB-CG 4.16Å; W504-L560 HydrophobicContact CZ2-CD1 4.31Å; A556-L560 PolarHBondContact O-N 3.09Å; A557-L560 WeakPolarHBondContact O-CB 3.32Å; A557-L560 PolarHBondContact O-N 2.9Å; Q558-L560 VanDerWaalsContact C-N 3.31Å; L560-G563 PolarHBondContact O-N 3.22Å; L560-M564 HydrophobicContact CD2-CG 4.1Å; L560-M564 HydrophobicContact CD2-SD 3.66Å; L560-M564 WeakPolarHBondContact O-CB 3.11Å; L560-M564 VanDerWaalsContact O-CG 3.23Å; L560-M564 WeakPolarHBondContact O-CG 3Å; L560-M564 PolarHBondContact O-N 3.26Å
561	L	40.4	Very low	38.6	Very low	91 Å²	91	73.2 Å²	73.2	48%	0.476	40%	0.401	S	S	.	.	H	α-helix	trans	-63.9	-43.3	176.6	-69.4	169.5	0	0	0	112.6	A557 Q558 M564 N565	A557-L561 WeakPolarHBondContact O-CG 3.28Å; A557-L561 PolarHBondContact O-N 2.93Å; Q558-L561 PolarHBondContact O-N 3.13Å; L561-M564 PolarHBondContact O-N 3.22Å; L561-N565 WeakPolarHBondContact O-CB 3.14Å; L561-N565 PolarHBondContact O-N 3.48Å; L561-N565 PolarHBondContact O-ND2 2.89Å
562	D	42.3	Very low	38.4	Very low	39 Å²	39	72.2 Å²	72.2	21%	0.209	41%	0.411	C	S	.	.	H	α-helix	trans	-70.1	-33.8	177.6	-82.1	5.8	0	0	0	111.7	Q558 F566 R738	Q558-D562 WeakPolarHBondContact O-CB 3.44Å; Q558-D562 PolarHBondContact O-N 3.1Å; D562-F566 WeakPolarHBondContact O-CB 3.41Å; D562-F566 PolarHBondContact O-N 3.04Å; D562-F566 VanDerWaalsContact O-N 3.09Å; D562-R738 IonicContact OD1-NH2 3.23Å; D562-R738 IonicContact OD2-CZ 2.74Å; D562-R738 IonicContact OD2-NE 2.83Å; D562-R738 IonicContact OD2-NH2 2.86Å; D562-R738 PolarHBondContact OD2-NH2 3.42Å
563	G	38.9	Very low	38.3	Very low	29 Å²	29	76.4 Å²	76.4	30%	0.299	43%	0.427	S	S	.	.	H	α-helix	trans	-69.4	-36.4	173	0	0	0	0	0	113.6	R559 L560 F566 M567	R559-G563 PolarHBondContact O-N 2.95Å; L560-G563 PolarHBondContact O-N 3.22Å; G563-F566 PolarHBondContact O-N 3.19Å; G563-M567 PolarHBondContact O-N 3.25Å
564	M	39	Very low	37.9	Very low	109 Å²	109	81.1 Å²	81.1	54%	0.537	45%	0.452	S	S	.	.	H	α-helix	trans	-69.8	-40	173.9	-72.8	175.6	74.1	0	0	112.2	L560 L561 F566 M567 A568	L560-M564 HydrophobicContact CD2-CG 4.1Å; L560-M564 HydrophobicContact CD2-SD 3.66Å; L560-M564 WeakPolarHBondContact O-CB 3.11Å; L560-M564 VanDerWaalsContact O-CG 3.23Å; L560-M564 WeakPolarHBondContact O-CG 3Å; L560-M564 PolarHBondContact O-N 3.26Å; L561-M564 PolarHBondContact O-N 3.22Å; M564-F566 VanDerWaalsContact C-N 3.31Å; M564-F566 PolarHBondContact O-N 3.38Å; M564-M567 PolarHBondContact O-N 3.02Å; M564-A568 WeakPolarHBondContact O-CB 3.45Å; M564-A568 PolarHBondContact O-N 3.02Å
565	N	36.9	Very low	37.4	Very low	95 Å²	95	79.8 Å²	79.8	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-34.7	174.7	-79.7	-31.4	0	0	0	112.3	L561 A568 Q569	L561-N565 WeakPolarHBondContact O-CB 3.14Å; L561-N565 PolarHBondContact O-N 3.48Å; L561-N565 PolarHBondContact O-ND2 2.89Å; N565-A568 PolarHBondContact O-N 3.49Å; N565-Q569 WeakPolarHBondContact O-CB 3.45Å; N565-Q569 VanDerWaalsContact O-CG 3.31Å; N565-Q569 WeakPolarHBondContact O-CG 3.4Å; N565-Q569 PolarHBondContact O-N 2.8Å
566	F	36.8	Very low	37.2	Very low	123 Å²	123	87.5 Å²	87.5	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-64.6	-45	174.1	-176.8	-101.7	0	0	0	111.8	D562 G563 M564 Q569 S570	D562-F566 WeakPolarHBondContact O-CB 3.41Å; D562-F566 PolarHBondContact O-N 3.04Å; D562-F566 VanDerWaalsContact O-N 3.09Å; G563-F566 PolarHBondContact O-N 3.19Å; M564-F566 VanDerWaalsContact C-N 3.31Å; M564-F566 PolarHBondContact O-N 3.38Å; F566-Q569 PolarHBondContact O-N 3.41Å; F566-S570 PolarHBondContact O-N 2.86Å; F566-S570 PolarHBondContact O-OG 2.82Å; F566-S570 VanDerWaalsContact O-OG 3.13Å
567	M	34.5	Very low	37.4	Very low	98 Å²	98	88.6 Å²	88.6	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-40.9	174.5	-74	-92.4	-75.5	0	0	112.3	G563 M564 Q569 S570 V571	G563-M567 PolarHBondContact O-N 3.25Å; M564-M567 PolarHBondContact O-N 3.02Å; M567-Q569 VanDerWaalsContact C-N 3.26Å; M567-Q569 PolarHBondContact O-N 2.99Å; M567-S570 PolarHBondContact O-N 3.29Å; M567-V571 VanDerWaalsContact O-CB 3.31Å; M567-V571 WeakPolarHBondContact O-CB 3.45Å; M567-V571 WeakPolarHBondContact O-CG2 3.39Å; M567-V571 PolarHBondContact O-N 2.76Å
568	A	35.3	Very low	37.4	Very low	56 Å²	56	89.7 Å²	89.7	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-37.1	176.3	0	0	0	0	0	111.9	M564 N565 S572	M564-A568 WeakPolarHBondContact O-CB 3.45Å; M564-A568 PolarHBondContact O-N 3.02Å; N565-A568 PolarHBondContact O-N 3.49Å; A568-S572 PolarHBondContact O-N 2.8Å; A568-S572 PolarHBondContact O-OG 3.28Å
569	Q	34.6	Very low	37.4	Very low	138 Å²	138	92.4 Å²	92.4	65%	0.645	53%	0.53	S	S	*	.	H	α-helix	trans	-75.7	-32.9	176.5	-72.5	177.5	-13.7	0	0	113	N565 F566 M567	N565-Q569 WeakPolarHBondContact O-CB 3.45Å; N565-Q569 VanDerWaalsContact O-CG 3.31Å; N565-Q569 WeakPolarHBondContact O-CG 3.4Å; N565-Q569 PolarHBondContact O-N 2.8Å; F566-Q569 PolarHBondContact O-N 3.41Å; M567-Q569 VanDerWaalsContact C-N 3.26Å; M567-Q569 PolarHBondContact O-N 2.99Å
570	S	31.7	Very low	37.6	Very low	67 Å²	67	96 Å²	96	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-80.1	-22.6	176.8	-62.1	0	0	0	0	114.4	F566 M567	F566-S570 PolarHBondContact O-N 2.86Å; F566-S570 PolarHBondContact O-OG 2.82Å; F566-S570 VanDerWaalsContact O-OG 3.13Å; M567-S570 PolarHBondContact O-N 3.29Å
571	V	35	Very low	37.8	Very low	58 Å²	58	96.9 Å²	96.9	35%	0.352	56%	0.561	S	S	.	*	H	α-helix	trans	-94.7	-10.5	-178.7	-178	0	0	0	0	112	M567 E573 L574	M567-V571 VanDerWaalsContact O-CB 3.31Å; M567-V571 WeakPolarHBondContact O-CB 3.45Å; M567-V571 WeakPolarHBondContact O-CG2 3.39Å; M567-V571 PolarHBondContact O-N 2.76Å; V571-E573 PolarHBondContact O-N 2.8Å; V571-E573 VanDerWaalsContact O-N 3.11Å; V571-L574 PolarHBondContact O-N 2.85Å
572	S	36.8	Very low	37.9	Very low	107 Å²	107	96.7 Å²	96.7	75%	0.748	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-7.8	171.1	-76.4	0	0	0	0	114.5	A568	A568-S572 PolarHBondContact O-N 2.8Å; A568-S572 PolarHBondContact O-OG 3.28Å
573	E	36.5	Very low	38.1	Very low	174 Å²	174	97.1 Å²	97.1	81%	0.813	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-7	175.2	-73.1	-175.9	162.8	0	0	114.3	V571	V571-E573 PolarHBondContact O-N 2.8Å; V571-E573 VanDerWaalsContact O-N 3.11Å
574	L	32.3	Very low	38.5	Very low	144 Å²	144	97.4 Å²	97.4	75%	0.754	57%	0.565	S	S	*	*	S	Bend	trans	-135.5	114.6	178.8	-72.8	168.2	0	0	0	112.2	V571	V571-L574 PolarHBondContact O-N 2.85Å
575	S	30	Very low	38.9	Very low	112 Å²	112	98.5 Å²	98.5	78%	0.783	56%	0.563	S	S	*	*			trans	-49.9	137.9	-177.7	-55.2	0	0	0	0	115.8
576	L	40.3	Very low	39.1	Very low	179 Å²	179	97.3 Å²	97.3	94%	0.937	56%	0.556	S	S	*	*	S	Bend	trans	46.8	96.1	145.2	-60	167.8	0	0	0	117.9
577	G	44.4	Very low	39.6	Very low	62 Å²	62	92.3 Å²	92.3	64%	0.639	54%	0.536	S	S	*	.	S	Bend	trans	163.8	-48	163	0	0	0	0	0	118.1
578	P	35.3	Very low	40.3	Very low	78 Å²	78	89.4 Å²	89.4	51%	0.506	52%	0.523	S	S	.	.	H	α-helix	trans	-82.9	-20.2	-164.1	-16	30.7	0	0	0	115.9	K580 V582	P578-K580 PolarHBondContact O-N 2.98Å; P578-V582 WeakPolarHBondContact O-CG2 3.38Å; P578-V582 PolarHBondContact O-N 2.78Å
579	T	43	Very low	40.7	Very low	95 Å²	95	93.1 Å²	93.1	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-69.7	-39.3	-166	-32.1	0	0	0	0	113.3	T583	T579-T583 PolarHBondContact O-N 2.79Å; T579-T583 VanDerWaalsContact O-N 3.16Å; T579-T583 PolarHBondContact O-OG1 3.27Å
580	K	46.9	Very low	40.9	Very low	114 Å²	114	90.8 Å²	90.8	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-73.9	-31.8	179.7	-95.7	-174.4	174.1	-178.9	0	113.4	P578 T583 S584 N614	P578-K580 PolarHBondContact O-N 2.98Å; K580-T583 PolarHBondContact O-N 2.77Å; K580-S584 WeakPolarHBondContact O-CB 3.27Å; K580-S584 PolarHBondContact O-N 3.42Å; K580-N614 PolarHBondContact NZ-O 2.87Å
581	A	43.8	Very low	41.7	Very low	66 Å²	66	88.9 Å²	88.9	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-68.8	-42.2	177.8	0	0	0	0	0	111.6	T583 S584 W585	A581-T583 VanDerWaalsContact C-N 3.35Å; A581-S584 PolarHBondContact O-N 3.14Å; A581-W585 WeakPolarHBondContact O-CB 3.23Å; A581-W585 PolarHBondContact O-N 3.14Å
582	V	42.3	Very low	42.5	Very low	87 Å²	87	87.7 Å²	87.7	53%	0.527	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-41.7	173	176.5	0	0	0	0	110.7	P578 W585 L586	P578-V582 WeakPolarHBondContact O-CG2 3.38Å; P578-V582 PolarHBondContact O-N 2.78Å; V582-W585 PolarHBondContact O-N 3.5Å; V582-L586 WeakPolarHBondContact O-CB 3.14Å; V582-L586 PolarHBondContact O-N 3.16Å
583	T	46.5	Very low	43.4	Very low	49 Å²	49	88.1 Å²	88.1	30%	0.301	51%	0.513	S	S	.	.	H	α-helix	trans	-65.4	-41.7	175.3	-55.8	0	0	0	0	112.6	T579 K580 A581 W585 L586 T587	T579-T583 PolarHBondContact O-N 2.79Å; T579-T583 VanDerWaalsContact O-N 3.16Å; T579-T583 PolarHBondContact O-OG1 3.27Å; K580-T583 PolarHBondContact O-N 2.77Å; A581-T583 VanDerWaalsContact C-N 3.35Å; T583-W585 VanDerWaalsContact C-N 3.35Å; T583-W585 PolarHBondContact O-N 2.81Å; T583-L586 PolarHBondContact O-N 2.85Å; T583-T587 WeakPolarHBondContact O-CB 3.27Å; T583-T587 PolarHBondContact O-N 3.31Å; T583-T587 PolarHBondContact O-OG1 2.57Å
584	S	46.5	Very low	44.9	Very low	34 Å²	34	82.9 Å²	82.9	24%	0.238	49%	0.487	C	S	.	.	H	α-helix	trans	-61.9	-43.9	176.9	-175.4	0	0	0	0	111.2	K580 A581 T587 D588 N598	K580-S584 WeakPolarHBondContact O-CB 3.27Å; K580-S584 PolarHBondContact O-N 3.42Å; A581-S584 PolarHBondContact O-N 3.14Å; S584-T587 PolarHBondContact O-N 3.11Å; S584-D588 VanDerWaalsContact O-CG 3.3Å; S584-D588 PolarHBondContact O-N 3.15Å; S584-D588 VanDerWaalsContact O-N 3.11Å; S584-N598 WeakPolarHBondContact OG-CB 3.45Å
585	W	47	Very low	47.2	Very low	133 Å²	133	77.4 Å²	77.4	50%	0.504	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-42	174.8	177.4	85.7	0	0	0	112.1	A500 A581 V582 T583 D588 Q589	A500-W585 HydrophobicContact CB-CH2 4.41Å; A581-W585 WeakPolarHBondContact O-CB 3.23Å; A581-W585 PolarHBondContact O-N 3.14Å; V582-W585 PolarHBondContact O-N 3.5Å; T583-W585 VanDerWaalsContact C-N 3.35Å; T583-W585 PolarHBondContact O-N 2.81Å; W585-D588 PolarHBondContact O-N 2.87Å; W585-Q589 WeakPolarHBondContact O-CG 3.32Å; W585-Q589 PolarHBondContact O-N 3.36Å
586	L	41.8	Very low	49.3	Very low	69 Å²	69	76.5 Å²	76.5	36%	0.361	44%	0.435	S	S	.	.	H	α-helix	trans	-65.1	-39.6	177	-156.5	89.7	0	0	0	111.8	V582 T583 D588 Q589 I590	V582-L586 WeakPolarHBondContact O-CB 3.14Å; V582-L586 PolarHBondContact O-N 3.16Å; T583-L586 PolarHBondContact O-N 2.85Å; L586-D588 VanDerWaalsContact C-N 3.31Å; L586-D588 PolarHBondContact O-N 2.7Å; L586-Q589 PolarHBondContact O-N 3.43Å; L586-I590 WeakPolarHBondContact O-CG1 3.38Å; L586-I590 PolarHBondContact O-N 2.78Å
587	T	48.1	Very low	50.7	Low	19 Å²	19	69.7 Å²	69.7	12%	0.117	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-38.2	178.3	-49.5	0	0	0	0	111.1	T583 S584 Q589 I590 A591	T583-T587 WeakPolarHBondContact O-CB 3.27Å; T583-T587 PolarHBondContact O-N 3.31Å; T583-T587 PolarHBondContact O-OG1 2.57Å; S584-T587 PolarHBondContact O-N 3.11Å; T587-Q589 PolarHBondContact O-N 3.03Å; T587-I590 VanDerWaalsContact O-CG1 3.29Å; T587-I590 WeakPolarHBondContact O-CG1 2.86Å; T587-I590 PolarHBondContact O-N 3.13Å; T587-A591 WeakPolarHBondContact O-CB 3.38Å; T587-A591 PolarHBondContact O-N 2.97Å
588	D	48.2	Very low	51.7	Low	37 Å²	37	67.2 Å²	67.2	20%	0.198	37%	0.374	C	S	.	.	H	α-helix	trans	-65.5	-25.4	177.5	-71.1	-5.8	0	0	0	112.4	S584 W585 L586 P597 N598 S599	S584-D588 VanDerWaalsContact O-CG 3.3Å; S584-D588 PolarHBondContact O-N 3.15Å; S584-D588 VanDerWaalsContact O-N 3.11Å; W585-D588 PolarHBondContact O-N 2.87Å; L586-D588 VanDerWaalsContact C-N 3.31Å; L586-D588 PolarHBondContact O-N 2.7Å; D588-P597 HydrophobicContact CB-CB 4.48Å; D588-N598 WeakPolarHBondContact OD1-CB 3.31Å; D588-N598 PolarHBondContact OD1-N 2.96Å; D588-N598 PolarHBondContact OD2-N 2.92Å; D588-S599 PolarHBondContact OD2-N 2.63Å; D588-S599 PolarHBondContact OD2-OG 2.69Å
589	Q	43.3	Very low	53.3	Low	133 Å²	133	67.2 Å²	67.2	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-84.3	-15.7	177.5	-62.3	-61.2	-28.7	0	0	113.9	W585 L586 T587	W585-Q589 WeakPolarHBondContact O-CG 3.32Å; W585-Q589 PolarHBondContact O-N 3.36Å; L586-Q589 PolarHBondContact O-N 3.43Å; T587-Q589 PolarHBondContact O-N 3.03Å
590	I	40.2	Very low	54.8	Low	89 Å²	89	67.8 Å²	67.8	46%	0.456	37%	0.372	S	S	.	.	H	α-helix	trans	-112.6	-5	-179.3	63	176.2	0	0	0	113.1	L586 T587	L586-I590 WeakPolarHBondContact O-CG1 3.38Å; L586-I590 PolarHBondContact O-N 2.78Å; T587-I590 VanDerWaalsContact O-CG1 3.29Å; T587-I590 WeakPolarHBondContact O-CG1 2.86Å; T587-I590 PolarHBondContact O-N 3.13Å
591	A	48.2	Very low	56.3	Low	27 Å²	27	62.4 Å²	62.4	22%	0.223	35%	0.349	C	S	.	.	S	Bend	trans	-69.9	145.1	-178.5	0	0	0	0	0	111.3	T587 W595	T587-A591 WeakPolarHBondContact O-CB 3.38Å; T587-A591 PolarHBondContact O-N 2.97Å; A591-W595 HydrophobicContact CB-CB 4.07Å; A591-W595 HydrophobicContact CB-CD2 4.49Å; A591-W595 HydrophobicContact CB-CE3 3.98Å
592	P	51.8	Low	58.1	Low	34 Å²	34	65.3 Å²	65.3	22%	0.221	35%	0.354	C	S	.	.			trans	-52.5	144	169.4	-24.8	33.3	0	0	0	111.4	Y594 W595	P592-Y594 HydrophobicContact CB-CD1 3.5Å; P592-Y594 HydrophobicContact CB-CE1 3.28Å; P592-Y594 HydrophobicContact CG-CE1 3.93Å; P592-Y594 PolarHBondContact O-N 2.81Å; P592-W595 HydrophobicContact CB-CG 4.32Å; P592-W595 HydrophobicContact CG-CD2 4.2Å; P592-W595 HydrophobicContact CG-CG 4.22Å; P592-W595 WeakPolarHBondContact O-CB 3.49Å; P592-W595 PolarHBondContact O-N 3Å
593	A	56.1	Low	60.4	Low	116 Å²	116	63.5 Å²	63.5	96%	0.959	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.2	-177.4	0	0	0	0	0	114.7
594	Y	67.7	Low	62.5	Low	63 Å²	63	61.2 Å²	61.2	25%	0.247	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.9	176.3	76.8	-86.7	0	0	0	113.8	P592 R621 W643	P592-Y594 HydrophobicContact CB-CD1 3.5Å; P592-Y594 HydrophobicContact CB-CE1 3.28Å; P592-Y594 HydrophobicContact CG-CE1 3.93Å; P592-Y594 PolarHBondContact O-N 2.81Å; Y594-R621 PolarHBondContact OH-O 3.17Å; Y594-W643 WeakPolarHBondContact OH-CZ2 3.38Å; Y594-W643 PolarHBondContact OH-NE1 3.14Å
595	W	80.6	Confident	64.6	Low	29 Å²	29	63.7 Å²	63.7	11%	0.11	34%	0.342	C	S	.	.	S	Bend	trans	-79.8	138.7	176.8	-79.8	21.9	0	0	0	110.5	A591 P592 P597 H619 R621 G624 W643	A591-W595 HydrophobicContact CB-CB 4.07Å; A591-W595 HydrophobicContact CB-CD2 4.49Å; A591-W595 HydrophobicContact CB-CE3 3.98Å; P592-W595 HydrophobicContact CB-CG 4.32Å; P592-W595 HydrophobicContact CG-CD2 4.2Å; P592-W595 HydrophobicContact CG-CG 4.22Å; P592-W595 WeakPolarHBondContact O-CB 3.49Å; P592-W595 PolarHBondContact O-N 3Å; W595-P597 WeakPolarHBondContact O-CD 3.25Å; W595-H619 HydrophobicContact CD2-CB 3.82Å; W595-H619 AromaticContact CD2-CD2 3.74Å; W595-H619 AromaticContact CD2-CG 3.83Å; W595-H619 HydrophobicContact CE3-CB 3.7Å; W595-H619 AromaticContact CE3-CD2 3.5Å; W595-H619 AromaticContact CE3-CG 3.39Å; W595-H619 AromaticContact CE3-ND1 3.78Å; W595-H619 AromaticContact CE3-NE2 3.9Å; W595-H619 HydrophobicContact CH2-CB 3.74Å; W595-H619 HydrophobicContact CZ2-CB 3.85Å; W595-H619 HydrophobicContact CZ3-CB 3.66Å; W595-H619 AromaticContact CZ3-CG 3.62Å; W595-H619 AromaticContact CZ3-ND1 3.75Å; W595-R621 HydrophobicContact CZ2-CG 4.29Å; W595-G624 WeakPolarHBondContact CA-O 3.44Å; W595-W643 HydrophobicContact CH2-CH2 4.47Å; W595-W643 AromaticContact CZ2-CH2 3.9Å; W595-W643 HydrophobicContact CZ2-CH2 3.9Å; W595-W643 AromaticContact CZ2-CZ2 3.77Å; W595-W643 HydrophobicContact CZ2-CZ2 3.77Å
596	R	74	Confident	66.7	Low	93 Å²	93	61.6 Å²	61.6	35%	0.351	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-71.3	127.6	169.8	-169	170.2	176.4	171.5	0	109.4	Q600 I601 H619 G624 E625	R596-Q600 HydrophobicContact CG-CB 4.05Å; R596-Q600 PolarHBondContact NE-O 3.39Å; R596-Q600 VanDerWaalsContact NE-O 3.1Å; R596-Q600 PolarHBondContact NH2-O 3.03Å; R596-I601 HydrophobicContact CB-CD1 4.29Å; R596-I601 HydrophobicContact CB-CG1 4.16Å; R596-I601 HydrophobicContact CG-CG1 3.94Å; R596-I601 WeakPolarHBondContact O-CD1 3.44Å; R596-H619 PolarHBondContact O-NE2 3.02Å; R596-G624 PolarHBondContact N-O 3.44Å; R596-E625 WeakPolarHBondContact CD-OE2 3.2Å; R596-E625 IonicContact CZ-OE2 2.83Å; R596-E625 IonicContact NH1-OE2 2.77Å; R596-E625 PolarHBondContact NH1-OE2 2.89Å; R596-E625 VanDerWaalsContact NH1-OE2 3.13Å
597	P	69.8	Low	69.1	Low	37 Å²	37	61 Å²	61	24%	0.24	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-56.1	142.2	176.3	-26.6	35.2	0	0	0	111.9	D588 W595 S599 Q600 I601	D588-P597 HydrophobicContact CB-CB 4.48Å; W595-P597 WeakPolarHBondContact O-CD 3.25Å; P597-S599 PolarHBondContact O-N 3.34Å; P597-Q600 HydrophobicContact CB-CG 4.18Å; P597-Q600 HydrophobicContact CG-CG 4.43Å; P597-Q600 WeakPolarHBondContact O-CA 2.94Å; P597-Q600 WeakPolarHBondContact O-CB 3.15Å; P597-Q600 PolarHBondContact O-N 2.91Å; P597-I601 PolarHBondContact O-N 3.37Å
598	N	64.8	Low	71.1	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.048	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-57.7	-34.4	179.3	-83.4	-46.3	0	0	0	112.9	S584 D588 Q600 I601 K617 H619	S584-N598 WeakPolarHBondContact OG-CB 3.45Å; D588-N598 WeakPolarHBondContact OD1-CB 3.31Å; D588-N598 PolarHBondContact OD1-N 2.96Å; D588-N598 PolarHBondContact OD2-N 2.92Å; N598-Q600 PolarHBondContact O-N 2.85Å; N598-I601 PolarHBondContact O-N 2.83Å; N598-K617 PolarHBondContact O-NZ 3.39Å; N598-H619 PolarHBondContact OD1-CE1 2.99Å
599	S	68.3	Low	73.1	Confident	79 Å²	79	65.8 Å²	65.8	55%	0.552	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.6	173.3	49.5	0	0	0	0	113.1	D588 P597	D588-S599 PolarHBondContact OD2-N 2.63Å; D588-S599 PolarHBondContact OD2-OG 2.69Å; P597-S599 PolarHBondContact O-N 3.34Å
600	Q	74.9	Confident	75.2	Confident	106 Å²	106	63.6 Å²	63.6	50%	0.495	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-96.8	-7	-178	-60.5	178.8	10.9	0	0	113.3	R596 P597 N598 L602	R596-Q600 HydrophobicContact CG-CB 4.05Å; R596-Q600 PolarHBondContact NE-O 3.39Å; R596-Q600 VanDerWaalsContact NE-O 3.1Å; R596-Q600 PolarHBondContact NH2-O 3.03Å; P597-Q600 HydrophobicContact CB-CG 4.18Å; P597-Q600 HydrophobicContact CG-CG 4.43Å; P597-Q600 WeakPolarHBondContact O-CA 2.94Å; P597-Q600 WeakPolarHBondContact O-CB 3.15Å; P597-Q600 PolarHBondContact O-N 2.91Å; N598-Q600 PolarHBondContact O-N 2.85Å; Q600-L602 PolarHBondContact O-N 3.28Å
601	I	79	Confident	77.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	36%	0.359	C	S	.	.			trans	-91.2	91.2	176.6	-62.9	163.3	0	0	0	108	R596 P597 N598 F611 K617 H619	R596-I601 HydrophobicContact CB-CD1 4.29Å; R596-I601 HydrophobicContact CB-CG1 4.16Å; R596-I601 HydrophobicContact CG-CG1 3.94Å; R596-I601 WeakPolarHBondContact O-CD1 3.44Å; P597-I601 PolarHBondContact O-N 3.37Å; N598-I601 PolarHBondContact O-N 2.83Å; I601-F611 HydrophobicContact CG2-CD2 3.81Å; I601-F611 HydrophobicContact CG2-CE2 3.5Å; I601-F611 VanDerWaalsContact CG2-CE2 3.5Å; I601-K617 HydrophobicContact CB-CD 4.14Å; I601-K617 HydrophobicContact CG2-CD 4.03Å; I601-K617 WeakPolarHBondContact O-CE 2.91Å; I601-K617 PolarHBondContact O-NZ 3.33Å; I601-H619 VanDerWaalsContact CD1-NE2 3.34Å; I601-H619 WeakPolarHBondContact CD1-NE2 3.46Å
602	L	82.1	Confident	78.5	Confident	126 Å²	126	67 Å²	67	66%	0.66	38%	0.382	S	S	*	.			trans	-92.8	-22.8	-179.5	-58.4	179.3	0	0	0	112.9	Q600 S610 F611	Q600-L602 PolarHBondContact O-N 3.28Å; L602-S610 WeakPolarHBondContact O-CA 3.34Å; L602-F611 PolarHBondContact O-N 2.87Å
603	S	89.1	Confident	78.7	Confident	50 Å²	50	73.4 Å²	73.4	35%	0.35	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-147.1	158.9	178.2	57.7	0	0	0	0	110.9	N605 T609 F611	S603-N605 PolarHBondContact O-N 3.39Å; S603-T609 CarbonylContact C-O 3.52Å; S603-T609 VanDerWaalsContact CA-O 3.26Å; S603-T609 WeakPolarHBondContact CA-O 3.44Å; S603-T609 WeakPolarHBondContact CB-O 3.32Å; S603-F611 WeakPolarHBondContact O-CE2 3.28Å
604	C	90.4	Very high	78.7	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.007	40%	0.399	C	S	.	.			trans	-63	125.9	176	176.2	0	0	0	0	110.2	K606 C607 A608 T609 F611 C628	C604-K606 PolarHBondContact O-N 2.92Å; C604-K606 VanDerWaalsContact O-N 3.07Å; C604-C607 WeakPolarHBondContact CB-SG 3.42Å; C604-C607 PolarHBondContact SG-SG 2.79Å; C604-A608 WeakPolarHBondContact O-CA 3.26Å; C604-A608 PolarHBondContact O-N 3.23Å; C604-T609 PolarHBondContact N-O 3.18Å; C604-F611 HydrophobicContact CB-CE2 4.3Å; C604-F611 HydrophobicContact CB-CZ 3.97Å; C604-F611 VanDerWaalsContact N-CE2 3.3Å; C604-C628 HydrophobicContact CB-CB 4.33Å; C604-C628 PolarHBondContact SG-N 3.03Å; C604-C628 VanDerWaalsContact SG-N 3.38Å
605	N	91.9	Very high	78.4	Confident	86 Å²	86	74 Å²	74	46%	0.46	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.9	-176.1	-170	64.2	0	0	0	114.2	S603 E625 G626 F627	S603-N605 PolarHBondContact O-N 3.39Å; N605-E625 HydrophobicContact CB-CB 3.96Å; N605-G626 WeakPolarHBondContact CB-O 3.28Å; N605-G626 PolarHBondContact N-O 2.83Å; N605-F627 HydrophobicContact CB-CD1 4.21Å; N605-F627 HydrophobicContact CB-CE1 3.71Å; N605-F627 HydrophobicContact CB-CZ 3.88Å
606	K	90.3	Very high	77.6	Confident	88 Å²	88	76.8 Å²	76.8	38%	0.383	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-60.1	174.2	-179.3	175.7	173.9	-178.9	0	112.7	C604 F627 C631 D652	C604-K606 PolarHBondContact O-N 2.92Å; C604-K606 VanDerWaalsContact O-N 3.07Å; K606-F627 HydrophobicContact CB-CD1 3.93Å; K606-F627 HydrophobicContact CB-CE1 3.94Å; K606-C631 HydrophobicContact CB-CB 3.95Å; K606-C631 HydrophobicContact CD-CB 4.06Å; K606-C631 HydrophobicContact CG-CB 4.43Å; K606-D652 HydrophobicContact CD-CB 4.18Å; K606-D652 VanDerWaalsContact NZ-CG 3.35Å; K606-D652 IonicContact NZ-OD2 2.97Å; K606-D652 PolarHBondContact NZ-OD2 3.08Å
607	C	91.4	Very high	77.7	Confident	56 Å²	56	74.6 Å²	74.6	38%	0.378	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.1	-173.2	67.2	0	0	0	0	114.1	C604 T609 C631	C604-C607 WeakPolarHBondContact CB-SG 3.42Å; C604-C607 PolarHBondContact SG-SG 2.79Å; C607-T609 PolarHBondContact O-N 3.41Å; C607-T609 PolarHBondContact SG-OG1 2.93Å; C607-C631 VanDerWaalsContact SG-SG 3.67Å
608	A	91.5	Very high	78.2	Confident	70 Å²	70	74.4 Å²	74.4	58%	0.579	42%	0.415	S	S	*	.			trans	57.1	8.6	-178.7	0	0	0	0	0	115.6	C604 S610	C604-A608 WeakPolarHBondContact O-CA 3.26Å; C604-A608 PolarHBondContact O-N 3.23Å; A608-S610 PolarHBondContact O-N 3.24Å
609	T	89.3	Confident	79	Confident	87 Å²	87	74.1 Å²	74.1	53%	0.534	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-61.9	122	174.8	-52.2	0	0	0	0	109.6	S603 C604 C607	S603-T609 CarbonylContact C-O 3.52Å; S603-T609 VanDerWaalsContact CA-O 3.26Å; S603-T609 WeakPolarHBondContact CA-O 3.44Å; S603-T609 WeakPolarHBondContact CB-O 3.32Å; C604-T609 PolarHBondContact N-O 3.18Å; C607-T609 PolarHBondContact O-N 3.41Å; C607-T609 PolarHBondContact SG-OG1 2.93Å
610	S	87.9	Confident	79.6	Confident	88 Å²	88	70.3 Å²	70.3	62%	0.615	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-63.1	134.4	176.1	-56	0	0	0	0	110.9	L602 A608	L602-S610 WeakPolarHBondContact O-CA 3.34Å; A608-S610 PolarHBondContact O-N 3.24Å
611	F	80.4	Confident	79.9	Confident	27 Å²	27	66.7 Å²	66.7	12%	0.118	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80.1	129	172.2	-67.4	-66	0	0	0	109.4	I601 L602 S603 C604 D615 K617 C628	I601-F611 HydrophobicContact CG2-CD2 3.81Å; I601-F611 HydrophobicContact CG2-CE2 3.5Å; I601-F611 VanDerWaalsContact CG2-CE2 3.5Å; L602-F611 PolarHBondContact O-N 2.87Å; S603-F611 WeakPolarHBondContact O-CE2 3.28Å; C604-F611 HydrophobicContact CB-CE2 4.3Å; C604-F611 HydrophobicContact CB-CZ 3.97Å; C604-F611 VanDerWaalsContact N-CE2 3.3Å; F611-D615 WeakPolarHBondContact CA-OD2 3.28Å; F611-D615 HydrophobicContact CB-CB 4.19Å; F611-D615 HydrophobicContact CD1-CB 3.81Å; F611-D615 HydrophobicContact CG-CB 4.48Å; F611-K617 HydrophobicContact CD1-CG 4.3Å; F611-K617 HydrophobicContact CD2-CD 4.38Å; F611-K617 HydrophobicContact CD2-CG 4.2Å; F611-K617 HydrophobicContact CE1-CG 4.49Å; F611-K617 HydrophobicContact CE2-CG 4.4Å; F611-K617 HydrophobicContact CG-CG 4.14Å; F611-C628 HydrophobicContact CE1-CB 4.03Å; F611-C628 HydrophobicContact CZ-CB 4.35Å
612	K	76.4	Confident	79.9	Confident	160 Å²	160	67 Å²	67	70%	0.696	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-74.7	161.6	166.6	-60.1	179.6	-177.6	178.4	0	109.6	N614 D615	K612-N614 PolarHBondContact O-N 2.75Å; K612-D615 PolarHBondContact N-OD2 3.42Å; K612-D615 PolarHBondContact O-N 3.36Å
613	D	56.4	Low	79.8	Confident	168 Å²	168	63 Å²	63	90%	0.898	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.2	-176.3	-63.7	-38.3	0	0	0	114.6
614	N	57.6	Low	79.4	Confident	123 Å²	123	60.7 Å²	60.7	66%	0.658	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-0.7	178.1	-82.4	-13.4	0	0	0	115.4	K580 K612	K580-N614 PolarHBondContact NZ-O 2.87Å; K612-N614 PolarHBondContact O-N 2.75Å
615	D	61.4	Low	79.3	Confident	70 Å²	70	63.1 Å²	63.1	37%	0.374	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-71.4	141.4	-177.6	-70.5	-14.1	0	0	0	111.7	F611 K612 K617	F611-D615 WeakPolarHBondContact CA-OD2 3.28Å; F611-D615 HydrophobicContact CB-CB 4.19Å; F611-D615 HydrophobicContact CD1-CB 3.81Å; F611-D615 HydrophobicContact CG-CB 4.48Å; K612-D615 PolarHBondContact N-OD2 3.42Å; K612-D615 PolarHBondContact O-N 3.36Å; D615-K617 PolarHBondContact O-N 2.84Å
616	T	62.5	Low	79	Confident	87 Å²	87	59 Å²	59	53%	0.534	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-77.2	119.7	174.5	-53.5	0	0	0	0	109.4
617	K	77.2	Confident	78.9	Confident	47 Å²	47	55 Å²	55	20%	0.204	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-94.1	139.7	176.7	-53	-180	-167.8	-173.1	0	109.6	N598 I601 F611 D615	N598-K617 PolarHBondContact O-NZ 3.39Å; I601-K617 HydrophobicContact CB-CD 4.14Å; I601-K617 HydrophobicContact CG2-CD 4.03Å; I601-K617 WeakPolarHBondContact O-CE 2.91Å; I601-K617 PolarHBondContact O-NZ 3.33Å; F611-K617 HydrophobicContact CD1-CG 4.3Å; F611-K617 HydrophobicContact CD2-CD 4.38Å; F611-K617 HydrophobicContact CD2-CG 4.2Å; F611-K617 HydrophobicContact CE1-CG 4.49Å; F611-K617 HydrophobicContact CE2-CG 4.4Å; F611-K617 HydrophobicContact CG-CG 4.14Å; D615-K617 PolarHBondContact O-N 2.84Å
618	H	78.8	Confident	78.6	Confident	33 Å²	33	53.9 Å²	53.9	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.6	179.4	-56.7	-81.9	0	0	0	111.5	G626 F627 D629 S632	H618-G626 CarbonylContact O-C 3.49Å; H618-F627 WeakPolarHBondContact CB-O 3.11Å; H618-F627 PolarHBondContact N-O 3.04Å; H618-F627 PolarHBondContact O-N 2.93Å; H618-D629 PolarHBondContact CD2-N 3.48Å; H618-D629 IonicContact NE2-OD1 4Å; H618-S632 WeakPolarHBondContact CB-OG 3.32Å
619	H	81.6	Confident	78.2	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.8	174.6	-65.3	80	0	0	0	112.4	W595 R596 N598 I601 R621 G624 E625	W595-H619 HydrophobicContact CD2-CB 3.82Å; W595-H619 AromaticContact CD2-CD2 3.74Å; W595-H619 AromaticContact CD2-CG 3.83Å; W595-H619 HydrophobicContact CE3-CB 3.7Å; W595-H619 AromaticContact CE3-CD2 3.5Å; W595-H619 AromaticContact CE3-CG 3.39Å; W595-H619 AromaticContact CE3-ND1 3.78Å; W595-H619 AromaticContact CE3-NE2 3.9Å; W595-H619 HydrophobicContact CH2-CB 3.74Å; W595-H619 HydrophobicContact CZ2-CB 3.85Å; W595-H619 HydrophobicContact CZ3-CB 3.66Å; W595-H619 AromaticContact CZ3-CG 3.62Å; W595-H619 AromaticContact CZ3-ND1 3.75Å; R596-H619 PolarHBondContact O-NE2 3.02Å; N598-H619 PolarHBondContact OD1-CE1 2.99Å; I601-H619 VanDerWaalsContact CD1-NE2 3.34Å; I601-H619 WeakPolarHBondContact CD1-NE2 3.46Å; H619-R621 PolarHBondContact O-NH1 3.31Å; H619-G624 PolarHBondContact CD2-O 3.24Å; H619-E625 WeakPolarHBondContact CA-O 3.47Å
620	C	82.2	Confident	77.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.295	C	S	.	.			trans	-78.6	124.1	167.2	173.5	0	0	0	0	110.2	A622 C623 G624 E625 F627 C651	C620-A622 PolarHBondContact O-N 3.41Å; C620-A622 PolarHBondContact SG-N 3.36Å; C620-A622 VanDerWaalsContact SG-N 3.42Å; C620-C623 VanDerWaalsContact CB-SG 3.52Å; C620-G624 VanDerWaalsContact O-CA 3.32Å; C620-G624 WeakPolarHBondContact O-CA 3.38Å; C620-G624 PolarHBondContact O-N 3.11Å; C620-E625 PolarHBondContact N-O 2.99Å; C620-F627 HydrophobicContact CB-CD2 3.86Å; C620-F627 HydrophobicContact CB-CE2 3.48Å; C620-F627 VanDerWaalsContact CB-CE2 3.48Å; C620-F627 HydrophobicContact CB-CZ 4.47Å; C620-C651 HydrophobicContact CB-CB 4.15Å; C620-C651 PolarHBondContact SG-N 2.94Å
621	R	80.9	Confident	77.9	Confident	30 Å²	30	49.3 Å²	49.3	11%	0.113	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.2	-179.9	-77.1	84.3	170.7	154.3	-11.7	114.3	Y594 W595 H619 V638 W643 V648 R649 E683	Y594-R621 PolarHBondContact OH-O 3.17Å; W595-R621 HydrophobicContact CZ2-CG 4.29Å; H619-R621 PolarHBondContact O-NH1 3.31Å; R621-V638 HydrophobicContact CB-CG2 4.47Å; R621-W643 HydrophobicContact CB-CD2 4.03Å; R621-W643 HydrophobicContact CB-CG 4.31Å; R621-W643 HydrophobicContact CB-CZ2 3.95Å; R621-W643 HydrophobicContact CG-CD2 3.87Å; R621-W643 HydrophobicContact CG-CE3 4.07Å; R621-W643 HydrophobicContact CG-CH2 3.67Å; R621-W643 HydrophobicContact CG-CZ2 3.44Å; R621-W643 VanDerWaalsContact CG-CZ2 3.44Å; R621-W643 HydrophobicContact CG-CZ3 3.97Å; R621-W643 PolarHBondContact O-NE1 2.52Å; R621-V648 HydrophobicContact CB-CB 4.14Å; R621-V648 HydrophobicContact CB-CG2 3.56Å; R621-V648 HydrophobicContact CG-CB 3.94Å; R621-V648 HydrophobicContact CG-CG2 3.93Å; R621-R649 WeakPolarHBondContact CD-O 3.46Å; R621-R649 PolarHBondContact N-O 3.41Å; R621-E683 IonicContact CZ-OE1 3.17Å; R621-E683 IonicContact NE-OE1 2.7Å; R621-E683 PolarHBondContact NE-OE1 3.42Å; R621-E683 IonicContact NH2-OE1 2.93Å; R621-E683 PolarHBondContact NH2-OE1 3Å
622	A	78.4	Confident	78.4	Confident	8 Å²	8	48 Å²	48	7%	0.066	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-44.4	177.9	0	0	0	0	0	113.3	C620 V638 R641 V650 C654	C620-A622 PolarHBondContact O-N 3.41Å; C620-A622 PolarHBondContact SG-N 3.36Å; C620-A622 VanDerWaalsContact SG-N 3.42Å; A622-V638 HydrophobicContact CB-CG1 3.98Å; A622-V638 HydrophobicContact CB-CG2 4.2Å; A622-R641 PolarHBondContact O-NE 3.02Å; A622-R641 VanDerWaalsContact O-NE 3.14Å; A622-V650 HydrophobicContact CB-CG1 4.02Å; A622-C654 HydrophobicContact CB-CB 3.94Å
623	C	79.6	Confident	78.7	Confident	43 Å²	43	43.9 Å²	43.9	29%	0.291	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-17.4	-177.2	71.2	0	0	0	0	115.3	C620 E625	C620-C623 VanDerWaalsContact CB-SG 3.52Å; C623-E625 VanDerWaalsContact C-N 3.29Å; C623-E625 PolarHBondContact O-N 3.01Å
624	G	80.9	Confident	80.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.			trans	80.8	-2.7	178	0	0	0	0	0	115.9	W595 R596 H619 C620	W595-G624 WeakPolarHBondContact CA-O 3.44Å; R596-G624 PolarHBondContact N-O 3.44Å; H619-G624 PolarHBondContact CD2-O 3.24Å; C620-G624 VanDerWaalsContact O-CA 3.32Å; C620-G624 WeakPolarHBondContact O-CA 3.38Å; C620-G624 PolarHBondContact O-N 3.11Å
625	E	87.8	Confident	81.5	Confident	52 Å²	52	36.5 Å²	36.5	24%	0.243	22%	0.216	C	C	.	.			trans	-78	162.6	177.1	-67.5	-61.8	142.4	0	0	112.9	R596 N605 H619 C620 C623 F627	R596-E625 WeakPolarHBondContact CD-OE2 3.2Å; R596-E625 IonicContact CZ-OE2 2.83Å; R596-E625 IonicContact NH1-OE2 2.77Å; R596-E625 PolarHBondContact NH1-OE2 2.89Å; R596-E625 VanDerWaalsContact NH1-OE2 3.13Å; N605-E625 HydrophobicContact CB-CB 3.96Å; H619-E625 WeakPolarHBondContact CA-O 3.47Å; C620-E625 PolarHBondContact N-O 2.99Å; C623-E625 VanDerWaalsContact C-N 3.29Å; C623-E625 PolarHBondContact O-N 3.01Å; E625-F627 HydrophobicContact CB-CE2 3.61Å; E625-F627 HydrophobicContact CB-CZ 3.84Å; E625-F627 WeakPolarHBondContact O-CD2 3.42Å; E625-F627 WeakPolarHBondContact O-CE2 3.42Å
626	G	86.1	Confident	82.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135	-179.8	0	0	0	0	0	114.4	N605 H618	N605-G626 WeakPolarHBondContact CB-O 3.28Å; N605-G626 PolarHBondContact N-O 2.83Å; H618-G626 CarbonylContact O-C 3.49Å
627	F	88.2	Confident	82.9	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.9	-174.7	-60.5	-88.6	0	0	0	111.6	N605 K606 H618 C620 E625 C631 C651	N605-F627 HydrophobicContact CB-CD1 4.21Å; N605-F627 HydrophobicContact CB-CE1 3.71Å; N605-F627 HydrophobicContact CB-CZ 3.88Å; K606-F627 HydrophobicContact CB-CD1 3.93Å; K606-F627 HydrophobicContact CB-CE1 3.94Å; H618-F627 WeakPolarHBondContact CB-O 3.11Å; H618-F627 PolarHBondContact N-O 3.04Å; H618-F627 PolarHBondContact O-N 2.93Å; C620-F627 HydrophobicContact CB-CD2 3.86Å; C620-F627 HydrophobicContact CB-CE2 3.48Å; C620-F627 VanDerWaalsContact CB-CE2 3.48Å; C620-F627 HydrophobicContact CB-CZ 4.47Å; E625-F627 HydrophobicContact CB-CE2 3.61Å; E625-F627 HydrophobicContact CB-CZ 3.84Å; E625-F627 WeakPolarHBondContact O-CD2 3.42Å; E625-F627 WeakPolarHBondContact O-CE2 3.42Å; F627-C631 HydrophobicContact CB-CB 4.32Å; F627-C631 HydrophobicContact CD1-CB 4.22Å; F627-C651 HydrophobicContact CD1-CB 3.74Å; F627-C651 HydrophobicContact CD2-CB 3.84Å; F627-C651 HydrophobicContact CE1-CB 3.46Å; F627-C651 VanDerWaalsContact CE1-CB 3.46Å; F627-C651 HydrophobicContact CE2-CB 3.58Å; F627-C651 HydrophobicContact CG-CB 3.93Å; F627-C651 HydrophobicContact CZ-CB 3.38Å
628	C	85.6	Confident	82.5	Confident	33 Å²	33	31.9 Å²	31.9	22%	0.223	19%	0.19	C	C	.	.			trans	-74.7	165	166.2	68.6	0	0	0	0	109.8	C604 F611 G630 C631 S632	C604-C628 HydrophobicContact CB-CB 4.33Å; C604-C628 PolarHBondContact SG-N 3.03Å; C604-C628 VanDerWaalsContact SG-N 3.38Å; F611-C628 HydrophobicContact CE1-CB 4.03Å; F611-C628 HydrophobicContact CZ-CB 4.35Å; C628-G630 VanDerWaalsContact C-N 3.3Å; C628-G630 PolarHBondContact O-N 3.27Å; C628-C631 PolarHBondContact O-N 3.46Å; C628-S632 PolarHBondContact O-N 2.83Å; C628-S632 PolarHBondContact O-OG 3.32Å
629	D	82.4	Confident	81.8	Confident	84 Å²	84	34.1 Å²	34.1	45%	0.449	21%	0.207	S	C	.	.	S	Bend	trans	-57.3	-44.5	-178.4	-172.7	62.7	0	0	0	111.7	H618 C631 S632 S633 R649	H618-D629 PolarHBondContact CD2-N 3.48Å; H618-D629 IonicContact NE2-OD1 4Å; D629-C631 VanDerWaalsContact C-N 3.31Å; D629-C631 PolarHBondContact O-N 3.39Å; D629-S632 CarbonylContact O-C 3.26Å; D629-S632 PolarHBondContact O-N 3Å; D629-S632 VanDerWaalsContact O-N 3.1Å; D629-S633 PolarHBondContact O-N 3.3Å; D629-R649 IonicContact OD1-CZ 2.68Å; D629-R649 VanDerWaalsContact OD1-CZ 3.31Å; D629-R649 IonicContact OD1-NH1 3.13Å; D629-R649 PolarHBondContact OD1-NH1 3.01Å; D629-R649 IonicContact OD1-NH2 3.68Å; D629-R649 PolarHBondContact OD1-NH2 3.44Å
630	G	84.3	Confident	81	Confident	52 Å²	52	39.5 Å²	39.5	54%	0.536	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.3	-34.5	179.2	0	0	0	0	0	114.5	C628 S632	C628-G630 VanDerWaalsContact C-N 3.3Å; C628-G630 PolarHBondContact O-N 3.27Å; G630-S632 VanDerWaalsContact C-N 3.35Å
631	C	87.9	Confident	80	Confident	13 Å²	13	45.2 Å²	45.2	9%	0.088	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-87.7	-2.5	179.8	-70.6	0	0	0	0	114	K606 C607 F627 C628 D629 C651 D652	K606-C631 HydrophobicContact CB-CB 3.95Å; K606-C631 HydrophobicContact CD-CB 4.06Å; K606-C631 HydrophobicContact CG-CB 4.43Å; C607-C631 VanDerWaalsContact SG-SG 3.67Å; F627-C631 HydrophobicContact CB-CB 4.32Å; F627-C631 HydrophobicContact CD1-CB 4.22Å; C628-C631 PolarHBondContact O-N 3.46Å; D629-C631 VanDerWaalsContact C-N 3.31Å; D629-C631 PolarHBondContact O-N 3.39Å; C631-C651 WeakPolarHBondContact O-CA 3.29Å; C631-D652 PolarHBondContact O-N 2.86Å; C631-D652 VanDerWaalsContact O-N 3.13Å
632	S	89.4	Confident	78.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-138.8	28.8	-177.7	65.1	0	0	0	0	112.5	H618 C628 D629 G630 K634 R649 V650	H618-S632 WeakPolarHBondContact CB-OG 3.32Å; C628-S632 PolarHBondContact O-N 2.83Å; C628-S632 PolarHBondContact O-OG 3.32Å; D629-S632 CarbonylContact O-C 3.26Å; D629-S632 PolarHBondContact O-N 3Å; D629-S632 VanDerWaalsContact O-N 3.1Å; G630-S632 VanDerWaalsContact C-N 3.35Å; S632-K634 VanDerWaalsContact C-N 3.27Å; S632-K634 PolarHBondContact O-N 3.3Å; S632-R649 VanDerWaalsContact O-CD 3.25Å; S632-R649 WeakPolarHBondContact O-CD 3.41Å; S632-R649 WeakPolarHBondContact O-CG 3.48Å; S632-R649 PolarHBondContact O-NH1 3.29Å; S632-R649 PolarHBondContact OG-NH1 2.99Å; S632-R649 VanDerWaalsContact OG-NH1 3.12Å; S632-V650 CarbonylContact C-O 3.54Å; S632-V650 WeakPolarHBondContact CA-O 3.47Å
633	S	84.3	Confident	77.3	Confident	72 Å²	72	45.4 Å²	45.4	50%	0.503	26%	0.258	S	S	.	.			trans	-75.7	-16.2	-174.9	55.8	0	0	0	0	113.2	D629	D629-S633 PolarHBondContact O-N 3.3Å
634	K	86.2	Confident	76.2	Confident	64 Å²	64	44.3 Å²	44.3	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	155.3	-175.7	-50.8	-176.3	-170.3	173.8	0	112	S632 V650 D652 Y655 E656	S632-K634 VanDerWaalsContact C-N 3.27Å; S632-K634 PolarHBondContact O-N 3.3Å; K634-V650 PolarHBondContact O-N 2.94Å; K634-D652 WeakPolarHBondContact CE-OD1 3.32Å; K634-Y655 HydrophobicContact CB-CD1 4.28Å; K634-Y655 HydrophobicContact CB-CD2 3.45Å; K634-Y655 VanDerWaalsContact CB-CD2 3.45Å; K634-Y655 HydrophobicContact CB-CE2 3.84Å; K634-Y655 HydrophobicContact CB-CG 3.67Å; K634-Y655 HydrophobicContact CD-CD1 3.3Å; K634-Y655 HydrophobicContact CD-CD2 4.11Å; K634-Y655 HydrophobicContact CD-CE1 3.68Å; K634-Y655 HydrophobicContact CD-CE2 4.42Å; K634-Y655 HydrophobicContact CD-CG 3.52Å; K634-Y655 HydrophobicContact CG-CD1 4.39Å; K634-Y655 HydrophobicContact CG-CD2 4.39Å; K634-Y655 HydrophobicContact CG-CG 4.24Å; K634-E656 IonicContact NZ-OE1 3.09Å; K634-E656 PolarHBondContact NZ-OE1 2.94Å
635	T	85.4	Confident	75.1	Confident	72 Å²	72	50 Å²	50	44%	0.442	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.4	179.7	60.7	0	0	0	0	111.5	V648 R649 Y655	T635-V648 CarbonylContact C-O 3.59Å; T635-V648 WeakPolarHBondContact CA-O 3.42Å; T635-R649 HydrophobicContact CG2-CB 4.48Å; T635-Y655 VanDerWaalsContact O-CE2 3.25Å; T635-Y655 WeakPolarHBondContact O-CE2 3.47Å
636	R	80	Confident	73.6	Confident	50 Å²	50	50.2 Å²	50.2	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.2	172.1	74.4	168.9	179.3	85.1	-8.3	111.5	V638 E640 V648 V650 C654 Y655	R636-V638 HydrophobicContact CG-CG2 4.23Å; R636-E640 IonicContact CZ-OE1 3.6Å; R636-E640 VanDerWaalsContact CZ-OE1 3.28Å; R636-E640 IonicContact NH1-OE1 3.82Å; R636-E640 PolarHBondContact NH1-OE1 3.22Å; R636-E640 IonicContact NH1-OE2 3.63Å; R636-E640 IonicContact NH2-OE1 2.85Å; R636-E640 PolarHBondContact NH2-OE1 3.49Å; R636-V648 PolarHBondContact N-O 2.97Å; R636-V648 WeakPolarHBondContact O-CG2 3.32Å; R636-V648 PolarHBondContact O-N 3.02Å; R636-V648 VanDerWaalsContact O-O 3.14Å; R636-V650 HydrophobicContact CB-CG2 4.38Å; R636-V650 HydrophobicContact CG-CB 4.42Å; R636-V650 HydrophobicContact CG-CG1 3.86Å; R636-V650 HydrophobicContact CG-CG2 3.76Å; R636-C654 WeakPolarHBondContact CD-O 3.35Å; R636-C654 PolarHBondContact NE-O 2.83Å; R636-Y655 HydrophobicContact CB-CD2 4.3Å
637	P	73.1	Confident	72.8	Confident	58 Å²	58	54.3 Å²	54.3	38%	0.377	33%	0.329	S	S	.	.			trans	-61.4	139.8	168.1	-20.8	33.7	0	0	0	110.7	P645	P637-P645 WeakPolarHBondContact CG-O 3.38Å
638	V	68.6	Low	72.1	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.333	C	S	.	.			trans	-130.2	60.4	176.6	-169.2	0	0	0	0	109.8	R621 A622 R636 E640 R641 W643 V648 V650	R621-V638 HydrophobicContact CB-CG2 4.47Å; A622-V638 HydrophobicContact CB-CG1 3.98Å; A622-V638 HydrophobicContact CB-CG2 4.2Å; R636-V638 HydrophobicContact CG-CG2 4.23Å; V638-E640 WeakPolarHBondContact CA-OE2 3.4Å; V638-E640 HydrophobicContact CG1-CG 4.21Å; V638-E640 WeakPolarHBondContact CG1-OE1 3.15Å; V638-E640 PolarHBondContact O-N 3.48Å; V638-R641 HydrophobicContact CG1-CB 3.74Å; V638-R641 HydrophobicContact CG1-CG 3.74Å; V638-R641 PolarHBondContact O-N 3.01Å; V638-W643 HydrophobicContact CB-CB 4.1Å; V638-W643 HydrophobicContact CB-CG 4.21Å; V638-W643 WeakPolarHBondContact O-CB 3.34Å; V638-W643 PolarHBondContact O-N 3.39Å; V638-W643 VanDerWaalsContact O-N 3.07Å; V638-V648 HydrophobicContact CB-CG2 4.08Å; V638-V648 HydrophobicContact CG2-CG2 3.57Å; V638-V650 HydrophobicContact CG2-CG1 3.77Å
639	P	65.6	Low	72	Confident	80 Å²	80	56.1 Å²	56.1	52%	0.519	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-61.9	-30.2	178.8	26.9	-35.4	0	0	0	112.2	R641 G642	P639-R641 PolarHBondContact O-N 3.18Å; P639-R641 VanDerWaalsContact O-N 3.07Å; P639-G642 PolarHBondContact O-N 2.84Å
640	E	64.5	Low	72.1	Confident	114 Å²	114	52.1 Å²	52.1	53%	0.533	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-63	-15	178.3	69.7	-84.6	-163.9	0	0	114.2	R636 V638	R636-E640 IonicContact CZ-OE1 3.6Å; R636-E640 VanDerWaalsContact CZ-OE1 3.28Å; R636-E640 IonicContact NH1-OE1 3.82Å; R636-E640 PolarHBondContact NH1-OE1 3.22Å; R636-E640 IonicContact NH1-OE2 3.63Å; R636-E640 IonicContact NH2-OE1 2.85Å; R636-E640 PolarHBondContact NH2-OE1 3.49Å; V638-E640 WeakPolarHBondContact CA-OE2 3.4Å; V638-E640 HydrophobicContact CG1-CG 4.21Å; V638-E640 WeakPolarHBondContact CG1-OE1 3.15Å; V638-E640 PolarHBondContact O-N 3.48Å
641	R	60.7	Low	72.4	Confident	121 Å²	121	49.8 Å²	49.8	46%	0.457	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-115.7	11.1	173.1	-61	-65.2	-164.4	178.8	-1.4	112.7	A622 V638 P639	A622-R641 PolarHBondContact O-NE 3.02Å; A622-R641 VanDerWaalsContact O-NE 3.14Å; V638-R641 HydrophobicContact CG1-CB 3.74Å; V638-R641 HydrophobicContact CG1-CG 3.74Å; V638-R641 PolarHBondContact O-N 3.01Å; P639-R641 PolarHBondContact O-N 3.18Å; P639-R641 VanDerWaalsContact O-N 3.07Å
642	G	50.2	Low	72.5	Confident	18 Å²	18	49.8 Å²	49.8	19%	0.186	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	20.3	178.6	0	0	0	0	0	115.5	P639 G644 R679	P639-G642 PolarHBondContact O-N 2.84Å; G642-G644 VanDerWaalsContact C-N 3.28Å; G642-R679 PolarHBondContact O-NH1 3.32Å
643	W	52.5	Low	72.5	Confident	23 Å²	23	54.2 Å²	54.2	9%	0.087	31%	0.309	C	S	.	.			trans	-83.7	-4.2	174.5	-63.8	94.7	0	0	0	113.6	Y594 W595 R621 V638 V648 R679	Y594-W643 WeakPolarHBondContact OH-CZ2 3.38Å; Y594-W643 PolarHBondContact OH-NE1 3.14Å; W595-W643 HydrophobicContact CH2-CH2 4.47Å; W595-W643 AromaticContact CZ2-CH2 3.9Å; W595-W643 HydrophobicContact CZ2-CH2 3.9Å; W595-W643 AromaticContact CZ2-CZ2 3.77Å; W595-W643 HydrophobicContact CZ2-CZ2 3.77Å; R621-W643 HydrophobicContact CB-CD2 4.03Å; R621-W643 HydrophobicContact CB-CG 4.31Å; R621-W643 HydrophobicContact CB-CZ2 3.95Å; R621-W643 HydrophobicContact CG-CD2 3.87Å; R621-W643 HydrophobicContact CG-CE3 4.07Å; R621-W643 HydrophobicContact CG-CH2 3.67Å; R621-W643 HydrophobicContact CG-CZ2 3.44Å; R621-W643 VanDerWaalsContact CG-CZ2 3.44Å; R621-W643 HydrophobicContact CG-CZ3 3.97Å; R621-W643 PolarHBondContact O-NE1 2.52Å; V638-W643 HydrophobicContact CB-CB 4.1Å; V638-W643 HydrophobicContact CB-CG 4.21Å; V638-W643 WeakPolarHBondContact O-CB 3.34Å; V638-W643 PolarHBondContact O-N 3.39Å; V638-W643 VanDerWaalsContact O-N 3.07Å; W643-V648 HydrophobicContact CB-CG1 4.24Å; W643-V648 HydrophobicContact CB-CG2 3.94Å; W643-V648 HydrophobicContact CD2-CG1 4.47Å; W643-V648 HydrophobicContact CD2-CG2 4.36Å; W643-V648 HydrophobicContact CE3-CG1 4.03Å; W643-V648 HydrophobicContact CG-CG2 4.02Å; W643-R679 HydrophobicContact CZ3-CB 4.44Å; W643-R679 HydrophobicContact CZ3-CG 4.48Å
644	G	57.5	Low	72.6	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	29%	0.292	C	S	.	.			trans	71	-164.1	-179.8	0	0	0	0	0	113.7	G642 A646	G642-G644 VanDerWaalsContact C-N 3.28Å; G644-A646 VanDerWaalsContact C-N 3.34Å
645	P	56.7	Low	72.7	Confident	120 Å²	120	52.9 Å²	52.9	78%	0.779	30%	0.295	S	S	*	.	S	Bend	trans	-81.7	-9.4	-174.6	32.1	-35.3	0	0	0	113.9	P637	P637-P645 WeakPolarHBondContact CG-O 3.38Å
646	A	56.4	Low	72.7	Confident	57 Å²	57	55.2 Å²	55.2	47%	0.471	30%	0.301	S	S	.	.	S	Bend	trans	-74	138.4	179.6	0	0	0	0	0	111.1	G644 V648	G644-A646 VanDerWaalsContact C-N 3.34Å; A646-V648 PolarHBondContact O-N 3.03Å
647	P	69.2	Low	72.4	Confident	87 Å²	87	56.5 Å²	56.5	57%	0.565	32%	0.322	S	S	*	.			trans	-69.7	123.3	179.8	27.1	-32.6	0	0	0	111.4
648	V	73	Confident	71.8	Confident	16 Å²	16	63.2 Å²	63.2	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.4	178.4	-65.6	0	0	0	0	110.7	R621 T635 R636 V638 W643 A646 V650	R621-V648 HydrophobicContact CB-CB 4.14Å; R621-V648 HydrophobicContact CB-CG2 3.56Å; R621-V648 HydrophobicContact CG-CB 3.94Å; R621-V648 HydrophobicContact CG-CG2 3.93Å; T635-V648 CarbonylContact C-O 3.59Å; T635-V648 WeakPolarHBondContact CA-O 3.42Å; R636-V648 PolarHBondContact N-O 2.97Å; R636-V648 WeakPolarHBondContact O-CG2 3.32Å; R636-V648 PolarHBondContact O-N 3.02Å; R636-V648 VanDerWaalsContact O-O 3.14Å; V638-V648 HydrophobicContact CB-CG2 4.08Å; V638-V648 HydrophobicContact CG2-CG2 3.57Å; W643-V648 HydrophobicContact CB-CG1 4.24Å; W643-V648 HydrophobicContact CB-CG2 3.94Å; W643-V648 HydrophobicContact CD2-CG1 4.47Å; W643-V648 HydrophobicContact CD2-CG2 4.36Å; W643-V648 HydrophobicContact CE3-CG1 4.03Å; W643-V648 HydrophobicContact CG-CG2 4.02Å; A646-V648 PolarHBondContact O-N 3.03Å; V648-V650 PolarHBondContact O-N 2.84Å
649	R	83.6	Confident	71	Confident	58 Å²	58	70.5 Å²	70.5	22%	0.219	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.7	-175.7	-176.3	-174.2	-81	-111.5	5.6	112.7	R621 D629 S632 T635	R621-R649 WeakPolarHBondContact CD-O 3.46Å; R621-R649 PolarHBondContact N-O 3.41Å; D629-R649 IonicContact OD1-CZ 2.68Å; D629-R649 VanDerWaalsContact OD1-CZ 3.31Å; D629-R649 IonicContact OD1-NH1 3.13Å; D629-R649 PolarHBondContact OD1-NH1 3.01Å; D629-R649 IonicContact OD1-NH2 3.68Å; D629-R649 PolarHBondContact OD1-NH2 3.44Å; S632-R649 VanDerWaalsContact O-CD 3.25Å; S632-R649 WeakPolarHBondContact O-CD 3.41Å; S632-R649 WeakPolarHBondContact O-CG 3.48Å; S632-R649 PolarHBondContact O-NH1 3.29Å; S632-R649 PolarHBondContact OG-NH1 2.99Å; S632-R649 VanDerWaalsContact OG-NH1 3.12Å; T635-R649 HydrophobicContact CG2-CB 4.48Å
650	V	85.1	Confident	69.7	Low	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.2	175.7	-67	0	0	0	0	110.6	A622 S632 K634 R636 V638 V648 C654 Y655	A622-V650 HydrophobicContact CB-CG1 4.02Å; S632-V650 CarbonylContact C-O 3.54Å; S632-V650 WeakPolarHBondContact CA-O 3.47Å; K634-V650 PolarHBondContact O-N 2.94Å; R636-V650 HydrophobicContact CB-CG2 4.38Å; R636-V650 HydrophobicContact CG-CB 4.42Å; R636-V650 HydrophobicContact CG-CG1 3.86Å; R636-V650 HydrophobicContact CG-CG2 3.76Å; V638-V650 HydrophobicContact CG2-CG1 3.77Å; V648-V650 PolarHBondContact O-N 2.84Å; V650-C654 HydrophobicContact CB-CB 3.98Å; V650-Y655 HydrophobicContact CG2-CD2 4.09Å; V650-Y655 HydrophobicContact CG2-CG 4.49Å
651	C	90.1	Very high	68.3	Low	3 Å²	3	77.1 Å²	77.1	2%	0.02	41%	0.413	C	S	.	.			trans	-68.3	158.3	169.3	69.9	0	0	0	0	110.5	C620 F627 C631 N653 C654 Y655	C620-C651 HydrophobicContact CB-CB 4.15Å; C620-C651 PolarHBondContact SG-N 2.94Å; F627-C651 HydrophobicContact CD1-CB 3.74Å; F627-C651 HydrophobicContact CD2-CB 3.84Å; F627-C651 HydrophobicContact CE1-CB 3.46Å; F627-C651 VanDerWaalsContact CE1-CB 3.46Å; F627-C651 HydrophobicContact CE2-CB 3.58Å; F627-C651 HydrophobicContact CG-CB 3.93Å; F627-C651 HydrophobicContact CZ-CB 3.38Å; C631-C651 WeakPolarHBondContact O-CA 3.29Å; C651-N653 PolarHBondContact O-N 2.84Å; C651-C654 PolarHBondContact O-N 3.45Å; C651-C654 PolarHBondContact SG-N 3.06Å; C651-C654 VanDerWaalsContact SG-N 3.43Å; C651-Y655 PolarHBondContact O-N 3.23Å
652	D	89.6	Confident	67.4	Low	13 Å²	13	79.2 Å²	79.2	7%	0.07	43%	0.432	C	S	.	.	H	α-helix	trans	-54.5	-39.5	-179.1	-63.1	-34.5	0	0	0	112.7	K606 C631 K634 C654 Y655 E656	K606-D652 HydrophobicContact CD-CB 4.18Å; K606-D652 VanDerWaalsContact NZ-CG 3.35Å; K606-D652 IonicContact NZ-OD2 2.97Å; K606-D652 PolarHBondContact NZ-OD2 3.08Å; C631-D652 PolarHBondContact O-N 2.86Å; C631-D652 VanDerWaalsContact O-N 3.13Å; K634-D652 WeakPolarHBondContact CE-OD1 3.32Å; D652-C654 PolarHBondContact O-N 3.16Å; D652-Y655 WeakPolarHBondContact O-CB 3.28Å; D652-Y655 PolarHBondContact O-N 3.35Å; D652-Y655 VanDerWaalsContact O-N 3.13Å; D652-E656 WeakPolarHBondContact O-CB 3.49Å; D652-E656 WeakPolarHBondContact O-CG 3.45Å; D652-E656 PolarHBondContact O-N 3.13Å
653	N	90.3	Very high	66.4	Low	92 Å²	92	82.7 Å²	82.7	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-64.3	-42.6	179.3	-61.3	6.4	0	0	0	111.2	C651 Y655 E656 A657	C651-N653 PolarHBondContact O-N 2.84Å; N653-Y655 VanDerWaalsContact C-N 3.27Å; N653-Y655 PolarHBondContact O-N 2.79Å; N653-E656 PolarHBondContact O-N 2.96Å; N653-A657 VanDerWaalsContact O-CB 3.28Å; N653-A657 WeakPolarHBondContact O-CB 3.41Å; N653-A657 PolarHBondContact O-N 3.31Å
654	C	87.3	Confident	65.6	Low	23 Å²	23	88.6 Å²	88.6	16%	0.155	49%	0.491	C	S	.	.	H	α-helix	trans	-71	-24.2	176.2	-75.6	0	0	0	0	112.3	A622 R636 V650 C651 D652	A622-C654 HydrophobicContact CB-CB 3.94Å; R636-C654 WeakPolarHBondContact CD-O 3.35Å; R636-C654 PolarHBondContact NE-O 2.83Å; V650-C654 HydrophobicContact CB-CB 3.98Å; C651-C654 PolarHBondContact O-N 3.45Å; C651-C654 PolarHBondContact SG-N 3.06Å; C651-C654 VanDerWaalsContact SG-N 3.43Å; D652-C654 PolarHBondContact O-N 3.16Å
655	Y	87.1	Confident	64.1	Low	86 Å²	86	93.9 Å²	93.9	34%	0.337	52%	0.519	S	S	.	.	H	α-helix	trans	-74.2	-39.2	173.3	-173.2	-92.2	0	0	0	111.9	K634 T635 R636 V650 C651 D652 N653	K634-Y655 HydrophobicContact CB-CD1 4.28Å; K634-Y655 HydrophobicContact CB-CD2 3.45Å; K634-Y655 VanDerWaalsContact CB-CD2 3.45Å; K634-Y655 HydrophobicContact CB-CE2 3.84Å; K634-Y655 HydrophobicContact CB-CG 3.67Å; K634-Y655 HydrophobicContact CD-CD1 3.3Å; K634-Y655 HydrophobicContact CD-CD2 4.11Å; K634-Y655 HydrophobicContact CD-CE1 3.68Å; K634-Y655 HydrophobicContact CD-CE2 4.42Å; K634-Y655 HydrophobicContact CD-CG 3.52Å; K634-Y655 HydrophobicContact CG-CD1 4.39Å; K634-Y655 HydrophobicContact CG-CD2 4.39Å; K634-Y655 HydrophobicContact CG-CG 4.24Å; T635-Y655 VanDerWaalsContact O-CE2 3.25Å; T635-Y655 WeakPolarHBondContact O-CE2 3.47Å; R636-Y655 HydrophobicContact CB-CD2 4.3Å; V650-Y655 HydrophobicContact CG2-CD2 4.09Å; V650-Y655 HydrophobicContact CG2-CG 4.49Å; C651-Y655 PolarHBondContact O-N 3.23Å; D652-Y655 WeakPolarHBondContact O-CB 3.28Å; D652-Y655 PolarHBondContact O-N 3.35Å; D652-Y655 VanDerWaalsContact O-N 3.13Å; N653-Y655 VanDerWaalsContact C-N 3.27Å; N653-Y655 PolarHBondContact O-N 2.79Å
656	E	85	Confident	62.9	Low	121 Å²	121	97.3 Å²	97.3	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-84.2	-23.4	-175.6	-73.2	166.2	-160.6	0	0	114	K634 D652 N653 R658	K634-E656 IonicContact NZ-OE1 3.09Å; K634-E656 PolarHBondContact NZ-OE1 2.94Å; D652-E656 WeakPolarHBondContact O-CB 3.49Å; D652-E656 WeakPolarHBondContact O-CG 3.45Å; D652-E656 PolarHBondContact O-N 3.13Å; N653-E656 PolarHBondContact O-N 2.96Å; E656-R658 PolarHBondContact O-N 3.4Å
657	A	75	Confident	61.4	Low	76 Å²	76	98.9 Å²	98.9	63%	0.628	54%	0.538	S	S	*	.			trans	-70.9	38.8	179.6	0	0	0	0	0	114.6	N653 N659	N653-A657 VanDerWaalsContact O-CB 3.28Å; N653-A657 WeakPolarHBondContact O-CB 3.41Å; N653-A657 PolarHBondContact O-N 3.31Å; A657-N659 PolarHBondContact O-N 3.38Å
658	R	59.9	Low	59.3	Low	199 Å²	199	103.4 Å²	103.4	75%	0.751	55%	0.552	S	S	*	*			trans	-68.6	17.9	-165.6	-131.1	-177.2	-170.6	-167.8	2.8	116.5	E656	E656-R658 PolarHBondContact O-N 3.4Å
659	N	51.4	Low	57.3	Low	154 Å²	154	109.9 Å²	109.9	82%	0.824	59%	0.591	S	S	*	*			trans	-150.1	95.7	177.1	-84.4	-32.7	0	0	0	112.3	A657	A657-N659 PolarHBondContact O-N 3.38Å
660	V	39.1	Very low	54.6	Low	147 Å²	147	113.8 Å²	113.8	89%	0.891	62%	0.616	S	S	*	*			trans	-134.6	126.4	139.1	-177.9	0	0	0	0	107.1
661	Q	35.4	Very low	52.1	Low	185 Å²	185	120.7 Å²	120.7	86%	0.864	65%	0.653	S	S	*	*			trans	-51.2	138.3	-172.6	-123.2	136.6	-22.9	0	0	114	A663	Q661-A663 PolarHBondContact O-N 3.38Å; Q661-A663 VanDerWaalsContact O-N 3.1Å
662	L	41.7	Very low	49.4	Very low	165 Å²	165	126.5 Å²	126.5	86%	0.864	68%	0.68	S	S	*	*			trans	-53.7	105.1	160.5	-75.6	144.1	0	0	0	110
663	A	28.1	Very low	46.6	Very low	91 Å²	91	128 Å²	128	75%	0.752	70%	0.699	S	S	*	*			trans	-105	101.7	154.7	0	0	0	0	0	107.2	Q661 T665	Q661-A663 PolarHBondContact O-N 3.38Å; Q661-A663 VanDerWaalsContact O-N 3.1Å; A663-T665 PolarHBondContact O-N 3.44Å
664	I	36.1	Very low	43.8	Very low	147 Å²	147	125.7 Å²	125.7	75%	0.754	70%	0.696	S	S	*	*			trans	-65.6	115.8	166.8	-65.2	165.3	0	0	0	106.5
665	T	26.1	Very low	41.3	Very low	132 Å²	132	126.4 Å²	126.4	81%	0.81	70%	0.7	S	S	*	*			trans	-119.2	118.4	154.9	35.2	0	0	0	0	107.4	A663 A667	A663-T665 PolarHBondContact O-N 3.44Å; T665-A667 PolarHBondContact O-N 3.38Å
666	E	31.3	Very low	38.8	Very low	191 Å²	191	126.2 Å²	126.2	89%	0.893	70%	0.704	S	S	*	*			trans	-53.9	121.8	-176.1	-63.4	169.5	141.6	0	0	112
667	A	25.3	Very low	36.3	Very low	90 Å²	90	126.1 Å²	126.1	74%	0.744	71%	0.706	S	S	*	*			trans	-146.9	104.8	159.4	0	0	0	0	0	109.1	T665	T665-A667 PolarHBondContact O-N 3.38Å
668	Q	24.8	Very low	34.2	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	70%	0.702	S	S	*	*			trans	44.6	110.2	150	-61.3	-178	-30.9	0	0	118.3	D670	Q668-D670 PolarHBondContact O-N 3.13Å
669	V	31.2	Very low	33.3	Very low	151 Å²	151	119 Å²	119	92%	0.915	68%	0.677	S	S	*	*			trans	-67	104.1	162.8	-178.7	0	0	0	0	107.9
670	D	27.1	Very low	32.7	Very low	140 Å²	140	118.7 Å²	118.7	75%	0.749	67%	0.668	S	S	*	*			trans	-125.4	137.5	162	-92.9	-18.6	0	0	0	110.6	Q668 E672	Q668-D670 PolarHBondContact O-N 3.13Å; D670-E672 PolarHBondContact O-N 2.81Å
671	D	32.3	Very low	32.6	Very low	145 Å²	145	114.9 Å²	114.9	78%	0.775	65%	0.645	S	S	*	*			trans	-44.2	96.5	-169.1	-170.9	27.9	0	0	0	116.3	G673	D671-G673 PolarHBondContact O-N 3.49Å
672	E	33.4	Very low	32.8	Very low	125 Å²	125	107.1 Å²	107.1	58%	0.584	62%	0.615	S	S	*	*			trans	-94.6	38.2	-171.2	-129	-168.6	170.8	0	0	114.4	D670	D670-E672 PolarHBondContact O-N 2.81Å
673	G	30.1	Very low	32.7	Very low	46 Å²	46	102.4 Å²	102.4	47%	0.474	59%	0.588	S	S	.	*	S	Bend	trans	-80.3	-31.5	178.6	0	0	0	0	0	115.3	D671	D671-G673 PolarHBondContact O-N 3.49Å
674	G	31.9	Very low	33.1	Very low	42 Å²	42	99.8 Å²	99.8	43%	0.433	57%	0.567	S	S	.	*	S	Bend	trans	-83.6	-30	-170.5	0	0	0	0	0	115.5	L676 I677	G674-L676 VanDerWaalsContact C-N 3.28Å; G674-L676 PolarHBondContact O-N 2.91Å; G674-I677 PolarHBondContact O-N 2.89Å
675	T	34.8	Very low	33.1	Very low	38 Å²	38	96.1 Å²	96.1	23%	0.233	55%	0.551	C	S	.	*	H	α-helix	trans	-68.9	-27	-174.8	-19.2	0	0	0	0	112.5	R679	T675-R679 VanDerWaalsContact O-CB 3.28Å; T675-R679 WeakPolarHBondContact O-CB 3.41Å; T675-R679 WeakPolarHBondContact O-CD 3.46Å; T675-R679 WeakPolarHBondContact O-CG 2.9Å; T675-R679 PolarHBondContact O-N 3.03Å
676	L	34.2	Very low	33.6	Very low	83 Å²	83	93.7 Å²	93.7	44%	0.435	53%	0.531	S	S	.	.	H	α-helix	trans	-71.9	-30	179.6	-71.2	165.1	0	0	0	113	G674 K680	G674-L676 VanDerWaalsContact C-N 3.28Å; G674-L676 PolarHBondContact O-N 2.91Å; L676-K680 WeakPolarHBondContact O-CB 3.37Å; L676-K680 WeakPolarHBondContact O-CG 3.22Å; L676-K680 PolarHBondContact O-N 3.08Å; L676-K680 VanDerWaalsContact O-N 3.12Å
677	I	32.9	Very low	33.9	Very low	118 Å²	118	89 Å²	89	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-79.8	-45.2	-176.3	-58.5	175.3	0	0	0	110.4	G674 R679 K680 V681	G674-I677 PolarHBondContact O-N 2.89Å; I677-R679 VanDerWaalsContact C-N 3.32Å; I677-R679 PolarHBondContact O-N 2.85Å; I677-K680 PolarHBondContact O-N 2.91Å; I677-V681 WeakPolarHBondContact O-CB 3.44Å; I677-V681 WeakPolarHBondContact O-CG2 3.39Å; I677-V681 PolarHBondContact O-N 3.48Å; I677-V681 VanDerWaalsContact O-N 3.08Å
678	A	32.1	Very low	34.4	Very low	64 Å²	64	89.9 Å²	89.9	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-38.1	173.6	0	0	0	0	0	112.2	V681 G682	A678-V681 PolarHBondContact O-N 3.14Å; A678-G682 PolarHBondContact O-N 2.86Å
679	R	41.1	Very low	35	Very low	61 Å²	61	88 Å²	88	23%	0.23	51%	0.51	C	S	.	.	H	α-helix	trans	-66.2	-40.2	176.7	-79.5	175	172.3	143.7	2.6	113.1	G642 W643 T675 I677	G642-R679 PolarHBondContact O-NH1 3.32Å; W643-R679 HydrophobicContact CZ3-CB 4.44Å; W643-R679 HydrophobicContact CZ3-CG 4.48Å; T675-R679 VanDerWaalsContact O-CB 3.28Å; T675-R679 WeakPolarHBondContact O-CB 3.41Å; T675-R679 WeakPolarHBondContact O-CD 3.46Å; T675-R679 WeakPolarHBondContact O-CG 2.9Å; T675-R679 PolarHBondContact O-N 3.03Å; I677-R679 VanDerWaalsContact C-N 3.32Å; I677-R679 PolarHBondContact O-N 2.85Å
680	K	37	Very low	35.2	Very low	149 Å²	149	84.4 Å²	84.4	65%	0.648	50%	0.503	S	S	*	.	H	α-helix	trans	-71.1	-32.1	175.7	-77.9	178.6	177.5	-180	0	113.3	L676 I677 E683 A684	L676-K680 WeakPolarHBondContact O-CB 3.37Å; L676-K680 WeakPolarHBondContact O-CG 3.22Å; L676-K680 PolarHBondContact O-N 3.08Å; L676-K680 VanDerWaalsContact O-N 3.12Å; I677-K680 PolarHBondContact O-N 2.91Å; K680-E683 PolarHBondContact O-N 3.31Å; K680-A684 PolarHBondContact O-N 2.9Å; K680-A684 VanDerWaalsContact O-N 3.14Å
681	V	38	Very low	35.1	Very low	66 Å²	66	81.6 Å²	81.6	40%	0.4	50%	0.5	S	S	.	.	H	α-helix	trans	-70.8	-39.4	179	170.2	0	0	0	0	111.7	I677 A678 E683 A684 V685	I677-V681 WeakPolarHBondContact O-CB 3.44Å; I677-V681 WeakPolarHBondContact O-CG2 3.39Å; I677-V681 PolarHBondContact O-N 3.48Å; I677-V681 VanDerWaalsContact O-N 3.08Å; A678-V681 PolarHBondContact O-N 3.14Å; V681-E683 VanDerWaalsContact C-N 3.31Å; V681-E683 PolarHBondContact O-N 3.48Å; V681-A684 PolarHBondContact O-N 3.17Å; V681-V685 WeakPolarHBondContact O-CG2 2.96Å; V681-V685 PolarHBondContact O-N 2.68Å
682	G	39.1	Very low	35.1	Very low	22 Å²	22	81.8 Å²	81.8	23%	0.227	51%	0.506	C	S	.	.	H	α-helix	trans	-60.9	-37.7	173.3	0	0	0	0	0	113.2	A678 Q686	A678-G682 PolarHBondContact O-N 2.86Å; G682-Q686 PolarHBondContact O-N 3.1Å
683	E	40.2	Very low	34.6	Very low	66 Å²	66	81.9 Å²	81.9	31%	0.308	51%	0.514	S	S	.	.	H	α-helix	trans	-72	-34.8	177.4	-67.7	-169	139	0	0	112.9	R621 K680 V681 V685 Q686 S687	R621-E683 IonicContact CZ-OE1 3.17Å; R621-E683 IonicContact NE-OE1 2.7Å; R621-E683 PolarHBondContact NE-OE1 3.42Å; R621-E683 IonicContact NH2-OE1 2.93Å; R621-E683 PolarHBondContact NH2-OE1 3Å; K680-E683 PolarHBondContact O-N 3.31Å; V681-E683 VanDerWaalsContact C-N 3.31Å; V681-E683 PolarHBondContact O-N 3.48Å; E683-V685 PolarHBondContact O-N 3.02Å; E683-Q686 PolarHBondContact O-N 3.15Å; E683-S687 WeakPolarHBondContact O-CB 3.2Å; E683-S687 PolarHBondContact O-N 2.97Å; E683-S687 VanDerWaalsContact O-N 3.1Å
684	A	36.5	Very low	34.5	Very low	36 Å²	36	85.6 Å²	85.6	30%	0.298	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-37.7	175.3	0	0	0	0	0	112.2	K680 V681 Q686 T688	K680-A684 PolarHBondContact O-N 2.9Å; K680-A684 VanDerWaalsContact O-N 3.14Å; V681-A684 PolarHBondContact O-N 3.17Å; A684-Q686 VanDerWaalsContact C-N 3.34Å; A684-Q686 PolarHBondContact O-N 3.42Å; A684-T688 WeakPolarHBondContact O-CB 3.37Å; A684-T688 PolarHBondContact O-N 3.48Å; A684-T688 PolarHBondContact O-OG1 3.16Å
685	V	36.3	Very low	34.4	Very low	71 Å²	71	87.9 Å²	87.9	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-67.9	-33.7	178	175.6	0	0	0	0	111.9	V681 E683	V681-V685 WeakPolarHBondContact O-CG2 2.96Å; V681-V685 PolarHBondContact O-N 2.68Å; E683-V685 PolarHBondContact O-N 3.02Å
686	Q	36.5	Very low	33.9	Very low	81 Å²	81	94.1 Å²	94.1	38%	0.379	57%	0.573	S	S	.	*	H	α-helix	trans	-82.2	-27.3	-178.6	-157.4	161.7	2.2	0	0	113.3	G682 E683 A684	G682-Q686 PolarHBondContact O-N 3.1Å; E683-Q686 PolarHBondContact O-N 3.15Å; A684-Q686 VanDerWaalsContact C-N 3.34Å; A684-Q686 PolarHBondContact O-N 3.42Å
687	S	37	Very low	33.7	Very low	93 Å²	93	97.2 Å²	97.2	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-80.7	-23.1	178.9	-178.5	0	0	0	0	114.4	E683 L689	E683-S687 WeakPolarHBondContact O-CB 3.2Å; E683-S687 PolarHBondContact O-N 2.97Å; E683-S687 VanDerWaalsContact O-N 3.1Å; S687-L689 VanDerWaalsContact C-N 3.34Å; S687-L689 PolarHBondContact O-N 3.28Å
688	T	35.8	Very low	33.6	Very low	107 Å²	107	97 Å²	97	66%	0.656	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-3.6	-165.6	-54.1	0	0	0	0	114.3	A684	A684-T688 WeakPolarHBondContact O-CB 3.37Å; A684-T688 PolarHBondContact O-N 3.48Å; A684-T688 PolarHBondContact O-OG1 3.16Å
689	L	38.1	Very low	33.4	Very low	145 Å²	145	98.5 Å²	98.5	76%	0.759	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	4.1	-175.1	-84.2	146.8	0	0	0	114.6	S687	S687-L689 VanDerWaalsContact C-N 3.34Å; S687-L689 PolarHBondContact O-N 3.28Å
690	G	34.2	Very low	33.1	Very low	74 Å²	74	100.8 Å²	100.8	76%	0.763	61%	0.61	S	S	*	*	S	Bend	trans	-91.7	-15.9	-177.3	0	0	0	0	0	116.2
691	A	25.4	Very low	32.9	Very low	82 Å²	82	95.8 Å²	95.8	68%	0.678	60%	0.6	S	S	*	*			trans	-147.9	120.7	179.9	0	0	0	0	0	110.8	V693	A691-V693 PolarHBondContact O-N 3.27Å
692	V	32.1	Very low	32.6	Very low	149 Å²	149	99.5 Å²	99.5	90%	0.903	62%	0.617	S	S	*	*			trans	-61.5	103.3	158.3	177.1	0	0	0	0	106.7
693	V	22.8	Very low	32.4	Very low	126 Å²	126	103.2 Å²	103.2	76%	0.764	64%	0.635	S	S	*	*			trans	-165.7	134.6	150.3	163.7	0	0	0	0	109	A691	A691-V693 PolarHBondContact O-N 3.27Å
694	T	29.3	Very low	32.2	Very low	125 Å²	125	105 Å²	105	77%	0.767	64%	0.642	S	S	*	*			trans	-43	136.6	167	43.1	0	0	0	0	115.1
695	A	28.9	Very low	32	Very low	90 Å²	90	107.6 Å²	107.6	74%	0.744	65%	0.651	S	S	*	*			trans	64	106.3	155.2	0	0	0	0	0	118.2
696	I	25	Very low	31.8	Very low	169 Å²	169	108.6 Å²	108.6	87%	0.867	67%	0.666	S	S	*	*			trans	-139.1	121.7	131.7	-61	-173.4	0	0	0	107.6	I698	I696-I698 PolarHBondContact O-N 2.92Å; I696-I698 VanDerWaalsContact O-N 3.12Å
697	D	29.4	Very low	31.7	Very low	148 Å²	148	106.1 Å²	106.1	79%	0.791	66%	0.66	S	S	*	*			trans	-61.1	102.2	177.8	-70.7	-57.4	0	0	0	112.2
698	I	30.7	Very low	32	Very low	113 Å²	113	104 Å²	104	58%	0.579	64%	0.638	S	S	*	*			trans	-71	144.2	144.5	-61.3	173.3	0	0	0	105.7	I696 L700	I696-I698 PolarHBondContact O-N 2.92Å; I696-I698 VanDerWaalsContact O-N 3.12Å; I698-L700 PolarHBondContact O-N 3.34Å
699	P	28.8	Very low	32.6	Very low	96 Å²	96	99.1 Å²	99.1	62%	0.623	61%	0.608	S	S	*	*			trans	-66.6	83.4	-179.4	27.4	-34.1	0	0	0	110.9	G701 L702	P699-G701 PolarHBondContact O-N 2.83Å; P699-G701 VanDerWaalsContact O-N 3.11Å; P699-L702 PolarHBondContact O-N 3.29Å; P699-L702 VanDerWaalsContact O-N 3.16Å
700	L	35	Very low	33	Very low	108 Å²	108	97.6 Å²	97.6	57%	0.565	62%	0.616	S	S	*	*	H	α-helix	trans	-59.1	-17.4	175.1	-93.6	151.6	0	0	0	112.1	I698 K704	I698-L700 PolarHBondContact O-N 3.34Å; L700-K704 HydrophobicContact CD2-CG 4.5Å; L700-K704 WeakPolarHBondContact O-CB 3.27Å; L700-K704 WeakPolarHBondContact O-CG 3.45Å; L700-K704 PolarHBondContact O-N 3.48Å; L700-K704 VanDerWaalsContact O-N 3.09Å
701	G	32.4	Very low	34.1	Very low	44 Å²	44	96.5 Å²	96.5	45%	0.454	59%	0.589	S	S	.	*	H	α-helix	trans	-60.5	-46.7	172.2	0	0	0	0	0	112.4	P699 V703 D705	P699-G701 PolarHBondContact O-N 2.83Å; P699-G701 VanDerWaalsContact O-N 3.11Å; G701-V703 PolarHBondContact O-N 3.42Å; G701-D705 WeakPolarHBondContact O-CB 3.45Å; G701-D705 PolarHBondContact O-N 2.92Å
702	L	31.6	Very low	36.3	Very low	145 Å²	145	93.8 Å²	93.8	76%	0.759	56%	0.562	S	S	*	*	H	α-helix	trans	-73.2	-30.6	-172.1	-129.1	90.8	0	0	0	113.3	P699	P699-L702 PolarHBondContact O-N 3.29Å; P699-L702 VanDerWaalsContact O-N 3.16Å
703	V	35.1	Very low	37.7	Very low	100 Å²	100	88 Å²	88	61%	0.606	53%	0.527	S	S	*	.	H	α-helix	trans	-89.1	-34	-179.3	-178.2	0	0	0	0	111.9	G701 D705 A706 A707	G701-V703 PolarHBondContact O-N 3.42Å; V703-D705 VanDerWaalsContact C-N 3.29Å; V703-D705 PolarHBondContact O-N 3.03Å; V703-A706 PolarHBondContact O-N 3.48Å; V703-A707 PolarHBondContact O-N 3.39Å
704	K	35.2	Very low	39.3	Very low	102 Å²	102	83.2 Å²	83.2	44%	0.443	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-32.9	173.5	-83	-174.8	165.2	-163.8	0	112.3	L700 R708 D715	L700-K704 HydrophobicContact CD2-CG 4.5Å; L700-K704 WeakPolarHBondContact O-CB 3.27Å; L700-K704 WeakPolarHBondContact O-CG 3.45Å; L700-K704 PolarHBondContact O-N 3.48Å; L700-K704 VanDerWaalsContact O-N 3.09Å; K704-R708 VanDerWaalsContact O-CB 3.3Å; K704-R708 WeakPolarHBondContact O-CB 3.47Å; K704-R708 PolarHBondContact O-N 2.9Å; K704-D715 IonicContact NZ-OD2 3.93Å; K704-D715 PolarHBondContact NZ-OD2 2.84Å
705	D	32.3	Very low	40.5	Very low	92 Å²	92	79.3 Å²	79.3	49%	0.492	47%	0.472	S	S	.	.	H	α-helix	trans	-82	-25	-178.8	-67.1	-26.8	0	0	0	112.8	G701 V703 R708	G701-D705 WeakPolarHBondContact O-CB 3.45Å; G701-D705 PolarHBondContact O-N 2.92Å; V703-D705 VanDerWaalsContact C-N 3.29Å; V703-D705 PolarHBondContact O-N 3.03Å; D705-R708 IonicContact OD1-CZ 3.88Å; D705-R708 IonicContact OD1-NH1 3.83Å; D705-R708 PolarHBondContact OD1-NH1 3.35Å; D705-R708 IonicContact OD1-NH2 3.57Å; D705-R708 PolarHBondContact OD1-NH2 2.86Å
706	A	32.3	Very low	42	Very low	91 Å²	91	81.2 Å²	81.2	75%	0.752	47%	0.466	S	S	*	.	H	α-helix	trans	-82.3	-20.9	176.6	0	0	0	0	0	114.4	V703	V703-A706 PolarHBondContact O-N 3.48Å
707	A	34.8	Very low	44	Very low	29 Å²	29	78.8 Å²	78.8	24%	0.24	45%	0.451	C	S	.	.	S	Bend	trans	-111.1	1.2	-177.9	0	0	0	0	0	114.2	V703	V703-A707 PolarHBondContact O-N 3.39Å
708	R	43.5	Very low	46.2	Very low	49 Å²	49	72 Å²	72	19%	0.185	42%	0.415	C	S	.	.	S	Bend	trans	-75.8	128.8	179	-177.1	-178.4	-64.2	127.9	8.8	110	K704 D705 A710 W712 D715	K704-R708 VanDerWaalsContact O-CB 3.3Å; K704-R708 WeakPolarHBondContact O-CB 3.47Å; K704-R708 PolarHBondContact O-N 2.9Å; D705-R708 IonicContact OD1-CZ 3.88Å; D705-R708 IonicContact OD1-NH1 3.83Å; D705-R708 PolarHBondContact OD1-NH1 3.35Å; D705-R708 IonicContact OD1-NH2 3.57Å; D705-R708 PolarHBondContact OD1-NH2 2.86Å; R708-A710 PolarHBondContact O-N 3.49Å; R708-W712 HydrophobicContact CG-CB 3.76Å; R708-W712 HydrophobicContact CG-CE3 4.31Å; R708-W712 HydrophobicContact CG-CG 4.48Å; R708-D715 IonicContact NH2-OD1 3.23Å
709	P	47.5	Very low	48.4	Very low	5 Å²	5	71.9 Å²	71.9	3%	0.032	41%	0.414	C	S	.	.			trans	-56.9	131.6	171.4	-20.5	30.6	0	0	0	110	N555 Y711 W712	N555-P709 WeakPolarHBondContact OD1-CG 3.21Å; P709-Y711 HydrophobicContact CB-CD1 3.59Å; P709-Y711 HydrophobicContact CB-CE1 3.29Å; P709-Y711 HydrophobicContact CG-CE1 4.18Å; P709-Y711 PolarHBondContact O-N 2.9Å; P709-W712 HydrophobicContact CB-CG 4.25Å; P709-W712 HydrophobicContact CG-CD2 3.99Å; P709-W712 HydrophobicContact CG-CG 4.2Å; P709-W712 HydrophobicContact CG-CZ2 4.16Å; P709-W712 WeakPolarHBondContact O-CB 3.39Å; P709-W712 PolarHBondContact O-N 2.99Å
710	A	47.2	Very low	51.2	Low	113 Å²	113	71.5 Å²	71.5	93%	0.934	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.6	-173.5	0	0	0	0	0	114.6	R708	R708-A710 PolarHBondContact O-N 3.49Å
711	Y	56	Low	53.7	Low	50 Å²	50	66.4 Å²	66.4	20%	0.196	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.8	177.2	74	-84.3	0	0	0	114.3	P709 R738 R758	P709-Y711 HydrophobicContact CB-CD1 3.59Å; P709-Y711 HydrophobicContact CB-CE1 3.29Å; P709-Y711 HydrophobicContact CG-CE1 4.18Å; P709-Y711 PolarHBondContact O-N 2.9Å; Y711-R738 PolarHBondContact OH-O 3.23Å; Y711-R758 VanDerWaalsContact CG-NH1 3.33Å
712	W	71.9	Confident	56.3	Low	25 Å²	25	68 Å²	68	10%	0.095	37%	0.373	C	S	.	.	S	Bend	trans	-83.3	134.5	176.7	-76.9	20.6	0	0	0	110.4	R708 P709 P714 H736 R738 G741	R708-W712 HydrophobicContact CG-CB 3.76Å; R708-W712 HydrophobicContact CG-CE3 4.31Å; R708-W712 HydrophobicContact CG-CG 4.48Å; P709-W712 HydrophobicContact CB-CG 4.25Å; P709-W712 HydrophobicContact CG-CD2 3.99Å; P709-W712 HydrophobicContact CG-CG 4.2Å; P709-W712 HydrophobicContact CG-CZ2 4.16Å; P709-W712 WeakPolarHBondContact O-CB 3.39Å; P709-W712 PolarHBondContact O-N 2.99Å; W712-P714 WeakPolarHBondContact O-CD 3.27Å; W712-H736 HydrophobicContact CD2-CB 3.64Å; W712-H736 AromaticContact CD2-CD2 3.64Å; W712-H736 AromaticContact CD2-CG 3.65Å; W712-H736 HydrophobicContact CE3-CB 3.68Å; W712-H736 AromaticContact CE3-CD2 3.51Å; W712-H736 AromaticContact CE3-CG 3.33Å; W712-H736 AromaticContact CE3-ND1 3.71Å; W712-H736 AromaticContact CE3-NE2 3.91Å; W712-H736 HydrophobicContact CG-CB 4.33Å; W712-H736 AromaticContact CG-CD2 3.8Å; W712-H736 HydrophobicContact CH2-CB 3.94Å; W712-H736 HydrophobicContact CZ2-CB 3.89Å; W712-H736 HydrophobicContact CZ3-CB 3.83Å; W712-H736 AromaticContact CZ3-CG 3.73Å; W712-H736 AromaticContact CZ3-ND1 3.81Å; W712-R738 HydrophobicContact CZ2-CG 4.26Å; W712-G741 WeakPolarHBondContact CA-O 3.42Å
713	V	62	Low	59.1	Low	28 Å²	28	64.6 Å²	64.6	17%	0.17	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.4	127.7	169.5	-176.1	0	0	0	0	108	E717 I718 H736 G741	V713-E717 HydrophobicContact CG1-CB 3.69Å; V713-I718 HydrophobicContact CB-CD1 4.12Å; V713-I718 HydrophobicContact CB-CG1 3.89Å; V713-I718 HydrophobicContact CG1-CD1 4.36Å; V713-I718 HydrophobicContact CG1-CG1 3.63Å; V713-I718 WeakPolarHBondContact O-CD1 3.34Å; V713-H736 PolarHBondContact O-NE2 3.01Å; V713-G741 PolarHBondContact N-O 3.15Å
714	P	56.5	Low	61.7	Low	26 Å²	26	62.1 Å²	62.1	17%	0.169	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-53.3	142.8	176.3	-29.2	37	0	0	0	112.9	W712 H716 E717 I718	W712-P714 WeakPolarHBondContact O-CD 3.27Å; P714-H716 WeakPolarHBondContact CB-CE1 3.19Å; P714-H716 PolarHBondContact O-N 3.27Å; P714-E717 HydrophobicContact CB-CG 4.23Å; P714-E717 HydrophobicContact CG-CG 4.42Å; P714-E717 PolarHBondContact O-N 2.96Å; P714-I718 PolarHBondContact O-N 3.31Å
715	D	54	Low	64.3	Low	42 Å²	42	65.4 Å²	65.4	23%	0.225	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.2	-176.5	-68.3	9.4	0	0	0	112.6	K704 R708 K734 H736	K704-D715 IonicContact NZ-OD2 3.93Å; K704-D715 PolarHBondContact NZ-OD2 2.84Å; R708-D715 IonicContact NH2-OD1 3.23Å; D715-K734 PolarHBondContact O-NZ 3.38Å; D715-H736 IonicContact OD1-CE1 2.77Å; D715-H736 PolarHBondContact OD1-CE1 3.14Å; D715-H736 IonicContact OD1-NE2 3.14Å
716	H	60.9	Low	66.9	Low	131 Å²	131	65.8 Å²	65.8	61%	0.606	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-24	-179.7	66.5	-94.1	0	0	0	113.5	P714	P714-H716 WeakPolarHBondContact CB-CE1 3.19Å; P714-H716 PolarHBondContact O-N 3.27Å
717	E	66.6	Low	69.4	Low	117 Å²	117	68 Å²	68	55%	0.547	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-17.7	175.4	-66.8	178.6	-156.5	0	0	112.3	V713 P714 L719	V713-E717 HydrophobicContact CG1-CB 3.69Å; P714-E717 HydrophobicContact CB-CG 4.23Å; P714-E717 HydrophobicContact CG-CG 4.42Å; P714-E717 PolarHBondContact O-N 2.96Å; E717-L719 PolarHBondContact O-N 3.11Å; E717-L719 VanDerWaalsContact O-N 3.12Å
718	I	75.4	Confident	71.5	Confident	7 Å²	7	67.7 Å²	67.7	4%	0.036	34%	0.337	C	S	.	.			trans	-83.3	87.2	177.8	-59.3	166.7	0	0	0	109.4	V713 P714 F728 K734 H736	V713-I718 HydrophobicContact CB-CD1 4.12Å; V713-I718 HydrophobicContact CB-CG1 3.89Å; V713-I718 HydrophobicContact CG1-CD1 4.36Å; V713-I718 HydrophobicContact CG1-CG1 3.63Å; V713-I718 WeakPolarHBondContact O-CD1 3.34Å; P714-I718 PolarHBondContact O-N 3.31Å; I718-F728 HydrophobicContact CG2-CD2 3.64Å; I718-F728 HydrophobicContact CG2-CE2 3.25Å; I718-F728 HydrophobicContact CG2-CZ 4.2Å; I718-K734 HydrophobicContact CB-CD 4.3Å; I718-K734 HydrophobicContact CG2-CD 4.2Å; I718-K734 HydrophobicContact CG2-CG 4.41Å; I718-K734 WeakPolarHBondContact O-CE 2.89Å; I718-K734 PolarHBondContact O-NZ 2.98Å; I718-H736 VanDerWaalsContact CD1-NE2 3.28Å; I718-H736 WeakPolarHBondContact CD1-NE2 3.32Å
719	L	77.8	Confident	72.9	Confident	109 Å²	109	68.9 Å²	68.9	57%	0.571	35%	0.353	S	S	*	.			trans	-85.7	-33.5	175.8	-58.9	178.8	0	0	0	112.5	E717 F728	E717-L719 PolarHBondContact O-N 3.11Å; E717-L719 VanDerWaalsContact O-N 3.12Å; L719-F728 PolarHBondContact O-N 3.03Å
720	H	86.3	Confident	73.7	Confident	89 Å²	89	77.3 Å²	77.3	41%	0.412	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-135.5	150.8	-175	-48.6	-35.8	0	0	0	111	H722 K726 F728	H720-H722 PolarHBondContact O-N 2.91Å; H720-K726 CarbonylContact C-O 3.55Å; H720-K726 WeakPolarHBondContact CA-O 3.28Å; H720-F728 WeakPolarHBondContact O-CE2 3.32Å
721	C	87.6	Confident	74.7	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	39%	0.394	C	S	.	.			trans	-57.9	127.3	173.7	176.2	0	0	0	0	109.9	N723 C724 R725 K726 F728 C745	C721-N723 PolarHBondContact O-N 3.48Å; C721-N723 VanDerWaalsContact O-N 3.14Å; C721-C724 WeakPolarHBondContact CB-SG 3.38Å; C721-C724 PolarHBondContact SG-SG 3.33Å; C721-R725 WeakPolarHBondContact O-CA 3.07Å; C721-R725 PolarHBondContact O-N 3.41Å; C721-K726 PolarHBondContact N-O 3.48Å; C721-F728 HydrophobicContact CB-CE2 4.24Å; C721-F728 HydrophobicContact CB-CZ 3.9Å; C721-C745 PolarHBondContact SG-N 2.78Å; C721-C745 VanDerWaalsContact SG-N 3.39Å
722	H	88.3	Confident	75.5	Confident	79 Å²	79	81.7 Å²	81.7	37%	0.366	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.5	-175.2	-171.3	89	0	0	0	113.1	H720 Q742 G743 F744	H720-H722 PolarHBondContact O-N 2.91Å; H722-Q742 HydrophobicContact CB-CB 3.97Å; H722-Q742 PolarHBondContact CE1-OE1 2.71Å; H722-Q742 PolarHBondContact ND1-OE1 3.06Å; H722-G743 VanDerWaalsContact CB-O 3.25Å; H722-G743 WeakPolarHBondContact CB-O 3.41Å; H722-G743 PolarHBondContact N-O 2.75Å; H722-F744 HydrophobicContact CB-CD1 4.19Å; H722-F744 HydrophobicContact CB-CE1 3.72Å; H722-F744 HydrophobicContact CB-CZ 3.89Å; H722-F744 AromaticContact CD2-CZ 3.91Å
723	N	89.8	Confident	75.1	Confident	73 Å²	73	84.1 Å²	84.1	39%	0.39	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-65.9	175.9	-169.9	56.1	0	0	0	112.4	C721 F744 C748	C721-N723 PolarHBondContact O-N 3.48Å; C721-N723 VanDerWaalsContact O-N 3.14Å; N723-F744 HydrophobicContact CB-CD1 3.85Å; N723-F744 HydrophobicContact CB-CE1 3.87Å; N723-C748 HydrophobicContact CB-CB 3.96Å; N723-C748 PolarHBondContact ND2-SG 3.34Å; N723-C748 VanDerWaalsContact ND2-SG 3.41Å
724	C	89.5	Confident	75.6	Confident	48 Å²	48	86.7 Å²	86.7	32%	0.324	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.2	-172.1	68.8	0	0	0	0	114.7	C721 K726 C745	C721-C724 WeakPolarHBondContact CB-SG 3.38Å; C721-C724 PolarHBondContact SG-SG 3.33Å; C724-K726 PolarHBondContact O-N 3.44Å; C724-C745 VanDerWaalsContact SG-SG 3.69Å
725	R	90.8	Very high	76.5	Confident	171 Å²	171	87.6 Å²	87.6	65%	0.645	43%	0.428	S	S	*	.			trans	59.1	6.8	179.2	-52.5	-62.5	-176.8	168.1	0.9	115.9	C721 E727	C721-R725 WeakPolarHBondContact O-CA 3.07Å; C721-R725 PolarHBondContact O-N 3.41Å; R725-E727 PolarHBondContact O-N 2.59Å
726	K	86.4	Confident	77.6	Confident	100 Å²	100	86.2 Å²	86.2	44%	0.435	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-57.4	132.7	170.4	-69.3	179.5	-176.1	173.2	0	109.7	H720 C721 C724 L732 E747	H720-K726 CarbonylContact C-O 3.55Å; H720-K726 WeakPolarHBondContact CA-O 3.28Å; C721-K726 PolarHBondContact N-O 3.48Å; C724-K726 PolarHBondContact O-N 3.44Å; K726-L732 HydrophobicContact CB-CD2 4.01Å; K726-E747 IonicContact NZ-OE1 3.87Å; K726-E747 IonicContact NZ-OE2 3.98Å; K726-E747 PolarHBondContact NZ-OE2 2.92Å
727	E	85.6	Confident	78.4	Confident	138 Å²	138	80 Å²	80	65%	0.645	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-69.7	135.3	176.4	-173	171	-159.4	0	0	110.9	R725 L732	R725-E727 PolarHBondContact O-N 2.59Å; E727-L732 WeakPolarHBondContact O-CD2 3.5Å
728	F	77.5	Confident	78.9	Confident	22 Å²	22	75.9 Å²	75.9	10%	0.096	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-76.6	137.4	177.8	-70.9	-70.7	0	0	0	110.6	I718 L719 H720 C721 L732 S733 K734 F744 C745	I718-F728 HydrophobicContact CG2-CD2 3.64Å; I718-F728 HydrophobicContact CG2-CE2 3.25Å; I718-F728 HydrophobicContact CG2-CZ 4.2Å; L719-F728 PolarHBondContact O-N 3.03Å; H720-F728 WeakPolarHBondContact O-CE2 3.32Å; C721-F728 HydrophobicContact CB-CE2 4.24Å; C721-F728 HydrophobicContact CB-CZ 3.9Å; F728-L732 HydrophobicContact CD1-CD2 4.15Å; F728-L732 HydrophobicContact CD1-CG 4.06Å; F728-L732 WeakPolarHBondContact CD1-O 3.24Å; F728-L732 HydrophobicContact CE1-CG 4.45Å; F728-S733 WeakPolarHBondContact CE1-O 3.15Å; F728-K734 HydrophobicContact CB-CD 4.38Å; F728-K734 HydrophobicContact CB-CG 3.91Å; F728-K734 HydrophobicContact CD1-CB 4.42Å; F728-K734 HydrophobicContact CD1-CG 3.62Å; F728-K734 HydrophobicContact CD2-CD 4.36Å; F728-K734 HydrophobicContact CD2-CG 3.82Å; F728-K734 HydrophobicContact CE1-CB 4.39Å; F728-K734 HydrophobicContact CE1-CG 4Å; F728-K734 HydrophobicContact CE2-CG 4.17Å; F728-K734 HydrophobicContact CG-CD 4.3Å; F728-K734 HydrophobicContact CG-CG 3.51Å; F728-K734 HydrophobicContact CZ-CG 4.25Å; F728-F744 VanDerWaalsContact CZ-C 3.46Å; F728-C745 HydrophobicContact CE1-CB 4.22Å
729	S	73.9	Confident	78.5	Confident	74 Å²	74	76.2 Å²	76.2	52%	0.517	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-140.7	176.7	178.7	68.2	0	0	0	0	109.7	K731 L732	S729-K731 PolarHBondContact O-N 3.49Å; S729-K731 PolarHBondContact OG-N 3.5Å; S729-L732 CarbonylContact O-C 3.54Å; S729-L732 PolarHBondContact O-N 2.96Å
730	I	64.5	Low	78.2	Confident	181 Å²	181	73 Å²	73	93%	0.928	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.1	177.8	-59.7	166.6	0	0	0	111.9
731	K	68.3	Low	77.5	Confident	206 Å²	206	68.8 Å²	68.8	90%	0.896	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	177.9	-63.2	-176.3	-178.6	179.2	0	114	S729	S729-K731 PolarHBondContact O-N 3.49Å; S729-K731 PolarHBondContact OG-N 3.5Å
732	L	71.1	Confident	77.2	Confident	49 Å²	49	71.7 Å²	71.7	26%	0.257	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-123.6	99.8	-178.6	-171.8	67.7	0	0	0	109.8	K726 E727 F728 S729 C745	K726-L732 HydrophobicContact CB-CD2 4.01Å; E727-L732 WeakPolarHBondContact O-CD2 3.5Å; F728-L732 HydrophobicContact CD1-CD2 4.15Å; F728-L732 HydrophobicContact CD1-CG 4.06Å; F728-L732 WeakPolarHBondContact CD1-O 3.24Å; F728-L732 HydrophobicContact CE1-CG 4.45Å; S729-L732 CarbonylContact O-C 3.54Å; S729-L732 PolarHBondContact O-N 2.96Å; L732-C745 HydrophobicContact CD1-CB 3.89Å; L732-C745 HydrophobicContact CD2-CB 4.37Å; L732-C745 HydrophobicContact CG-CB 4.26Å
733	S	65.3	Low	76.8	Confident	76 Å²	76	68 Å²	68	53%	0.531	34%	0.338	S	S	.	.			trans	-68.9	144.9	-176.6	-70.6	0	0	0	0	112.9	F728	F728-S733 WeakPolarHBondContact CE1-O 3.15Å
734	K	71.8	Confident	76.6	Confident	82 Å²	82	64.6 Å²	64.6	36%	0.357	32%	0.32	S	S	.	.			trans	-85.1	133.8	174.2	-64.2	176.8	-174.2	-176.3	0	110	D715 I718 F728	D715-K734 PolarHBondContact O-NZ 3.38Å; I718-K734 HydrophobicContact CB-CD 4.3Å; I718-K734 HydrophobicContact CG2-CD 4.2Å; I718-K734 HydrophobicContact CG2-CG 4.41Å; I718-K734 WeakPolarHBondContact O-CE 2.89Å; I718-K734 PolarHBondContact O-NZ 2.98Å; F728-K734 HydrophobicContact CB-CD 4.38Å; F728-K734 HydrophobicContact CB-CG 3.91Å; F728-K734 HydrophobicContact CD1-CB 4.42Å; F728-K734 HydrophobicContact CD1-CG 3.62Å; F728-K734 HydrophobicContact CD2-CD 4.36Å; F728-K734 HydrophobicContact CD2-CG 3.82Å; F728-K734 HydrophobicContact CE1-CB 4.39Å; F728-K734 HydrophobicContact CE1-CG 4Å; F728-K734 HydrophobicContact CE2-CG 4.17Å; F728-K734 HydrophobicContact CG-CD 4.3Å; F728-K734 HydrophobicContact CG-CG 3.51Å; F728-K734 HydrophobicContact CZ-CG 4.25Å
735	H	76.3	Confident	76.4	Confident	45 Å²	45	62.3 Å²	62.3	21%	0.208	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.2	174.9	-55	-65.1	0	0	0	111.8	G743 F744 D746	H735-G743 CarbonylContact O-C 3.58Å; H735-F744 WeakPolarHBondContact CB-O 3.06Å; H735-F744 PolarHBondContact N-O 3.42Å; H735-F744 PolarHBondContact O-N 2.97Å; H735-D746 PolarHBondContact CD2-N 3.15Å
736	H	75.7	Confident	76	Confident	14 Å²	14	58 Å²	58	7%	0.065	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	136.6	174.9	-61.4	74.4	0	0	0	111.8	W712 V713 D715 I718 R738 Q742	W712-H736 HydrophobicContact CD2-CB 3.64Å; W712-H736 AromaticContact CD2-CD2 3.64Å; W712-H736 AromaticContact CD2-CG 3.65Å; W712-H736 HydrophobicContact CE3-CB 3.68Å; W712-H736 AromaticContact CE3-CD2 3.51Å; W712-H736 AromaticContact CE3-CG 3.33Å; W712-H736 AromaticContact CE3-ND1 3.71Å; W712-H736 AromaticContact CE3-NE2 3.91Å; W712-H736 HydrophobicContact CG-CB 4.33Å; W712-H736 AromaticContact CG-CD2 3.8Å; W712-H736 HydrophobicContact CH2-CB 3.94Å; W712-H736 HydrophobicContact CZ2-CB 3.89Å; W712-H736 HydrophobicContact CZ3-CB 3.83Å; W712-H736 AromaticContact CZ3-CG 3.73Å; W712-H736 AromaticContact CZ3-ND1 3.81Å; V713-H736 PolarHBondContact O-NE2 3.01Å; D715-H736 IonicContact OD1-CE1 2.77Å; D715-H736 PolarHBondContact OD1-CE1 3.14Å; D715-H736 IonicContact OD1-NE2 3.14Å; I718-H736 VanDerWaalsContact CD1-NE2 3.28Å; I718-H736 WeakPolarHBondContact CD1-NE2 3.32Å; H736-R738 PolarHBondContact O-NH1 3.48Å; H736-Q742 WeakPolarHBondContact CA-O 3.45Å
737	C	78.6	Confident	75.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.			trans	-75.1	122.3	165.8	173.2	0	0	0	0	109.6	A739 C740 G741 Q742 F744 C767	C737-A739 PolarHBondContact O-N 3.3Å; C737-A739 PolarHBondContact SG-N 3.02Å; C737-C740 VanDerWaalsContact CB-SG 3.51Å; C737-G741 VanDerWaalsContact O-CA 3.31Å; C737-G741 WeakPolarHBondContact O-CA 3.42Å; C737-G741 PolarHBondContact O-N 3.4Å; C737-Q742 PolarHBondContact N-O 3.1Å; C737-Q742 VanDerWaalsContact N-O 3.09Å; C737-F744 HydrophobicContact CB-CD2 3.78Å; C737-F744 HydrophobicContact CB-CE2 3.48Å; C737-F744 VanDerWaalsContact CB-CE2 3.48Å; C737-C767 HydrophobicContact CB-CB 4.14Å; C737-C767 PolarHBondContact SG-N 2.97Å
738	R	75.7	Confident	75.9	Confident	30 Å²	30	53.2 Å²	53.2	11%	0.113	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	-178.7	-76.8	74.4	169.5	162.2	-4.4	113.4	D562 Y711 W712 H736 W760 V764 R765	D562-R738 IonicContact OD1-NH2 3.23Å; D562-R738 IonicContact OD2-CZ 2.74Å; D562-R738 IonicContact OD2-NE 2.83Å; D562-R738 IonicContact OD2-NH2 2.86Å; D562-R738 PolarHBondContact OD2-NH2 3.42Å; Y711-R738 PolarHBondContact OH-O 3.23Å; W712-R738 HydrophobicContact CZ2-CG 4.26Å; H736-R738 PolarHBondContact O-NH1 3.48Å; R738-W760 HydrophobicContact CG-CZ2 4.37Å; R738-V764 HydrophobicContact CB-CB 4Å; R738-V764 HydrophobicContact CB-CG2 3.53Å; R738-V764 HydrophobicContact CG-CB 3.9Å; R738-V764 HydrophobicContact CG-CG2 3.99Å; R738-R765 WeakPolarHBondContact CD-O 3.23Å; R738-R765 PolarHBondContact N-O 3.08Å
739	A	68.6	Low	76.5	Confident	15 Å²	15	52.2 Å²	52.2	12%	0.124	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-44.8	175.8	0	0	0	0	0	114.1	C737 V755 R758 V766 C770	C737-A739 PolarHBondContact O-N 3.3Å; C737-A739 PolarHBondContact SG-N 3.02Å; A739-V755 HydrophobicContact CB-CG1 4.07Å; A739-V755 HydrophobicContact CB-CG2 4.08Å; A739-R758 PolarHBondContact O-NE 3.23Å; A739-R758 PolarHBondContact O-NH2 2.8Å; A739-V766 HydrophobicContact CB-CG1 4.05Å; A739-C770 HydrophobicContact CB-CB 3.77Å
740	C	70.3	Confident	76.9	Confident	41 Å²	41	54 Å²	54	28%	0.277	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-13.9	-174.9	70.7	0	0	0	0	115.2	C737 Q742	C737-C740 VanDerWaalsContact CB-SG 3.51Å; C740-Q742 PolarHBondContact O-N 3.23Å
741	G	72.8	Confident	77.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.			trans	76	-0.2	177.3	0	0	0	0	0	115.9	W712 V713 C737	W712-G741 WeakPolarHBondContact CA-O 3.42Å; V713-G741 PolarHBondContact N-O 3.15Å; C737-G741 VanDerWaalsContact O-CA 3.31Å; C737-G741 WeakPolarHBondContact O-CA 3.42Å; C737-G741 PolarHBondContact O-N 3.4Å
742	Q	80.8	Confident	78.2	Confident	61 Å²	61	43.6 Å²	43.6	29%	0.285	22%	0.217	S	C	.	.			trans	-76.7	158	176.9	-61.2	-67.6	-30.3	0	0	111.8	H722 H736 C737 C740 F744	H722-Q742 HydrophobicContact CB-CB 3.97Å; H722-Q742 PolarHBondContact CE1-OE1 2.71Å; H722-Q742 PolarHBondContact ND1-OE1 3.06Å; H736-Q742 WeakPolarHBondContact CA-O 3.45Å; C737-Q742 PolarHBondContact N-O 3.1Å; C737-Q742 VanDerWaalsContact N-O 3.09Å; C740-Q742 PolarHBondContact O-N 3.23Å; Q742-F744 HydrophobicContact CB-CD2 4.47Å; Q742-F744 HydrophobicContact CB-CE2 3.53Å; Q742-F744 HydrophobicContact CB-CZ 3.77Å; Q742-F744 WeakPolarHBondContact O-CD2 3.45Å; Q742-F744 VanDerWaalsContact O-CE2 3.23Å; Q742-F744 WeakPolarHBondContact O-CE2 3.34Å
743	G	79.4	Confident	78.4	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.7	178.9	0	0	0	0	0	114	H722 H735	H722-G743 VanDerWaalsContact CB-O 3.25Å; H722-G743 WeakPolarHBondContact CB-O 3.41Å; H722-G743 PolarHBondContact N-O 2.75Å; H735-G743 CarbonylContact O-C 3.58Å
744	F	86.9	Confident	78.1	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.9	-177.7	-60.4	-88.2	0	0	0	111.3	H722 N723 F728 H735 C737 Q742 C748 C767	H722-F744 HydrophobicContact CB-CD1 4.19Å; H722-F744 HydrophobicContact CB-CE1 3.72Å; H722-F744 HydrophobicContact CB-CZ 3.89Å; H722-F744 AromaticContact CD2-CZ 3.91Å; N723-F744 HydrophobicContact CB-CD1 3.85Å; N723-F744 HydrophobicContact CB-CE1 3.87Å; F728-F744 VanDerWaalsContact CZ-C 3.46Å; H735-F744 WeakPolarHBondContact CB-O 3.06Å; H735-F744 PolarHBondContact N-O 3.42Å; H735-F744 PolarHBondContact O-N 2.97Å; C737-F744 HydrophobicContact CB-CD2 3.78Å; C737-F744 HydrophobicContact CB-CE2 3.48Å; C737-F744 VanDerWaalsContact CB-CE2 3.48Å; Q742-F744 HydrophobicContact CB-CD2 4.47Å; Q742-F744 HydrophobicContact CB-CE2 3.53Å; Q742-F744 HydrophobicContact CB-CZ 3.77Å; Q742-F744 WeakPolarHBondContact O-CD2 3.45Å; Q742-F744 VanDerWaalsContact O-CE2 3.23Å; Q742-F744 WeakPolarHBondContact O-CE2 3.34Å; F744-C748 HydrophobicContact CB-CB 4.18Å; F744-C748 HydrophobicContact CD1-CB 4.08Å; F744-C767 HydrophobicContact CD1-CB 3.84Å; F744-C767 HydrophobicContact CD2-CB 3.81Å; F744-C767 HydrophobicContact CE1-CB 3.57Å; F744-C767 HydrophobicContact CE2-CB 3.54Å; F744-C767 HydrophobicContact CG-CB 3.96Å; F744-C767 HydrophobicContact CZ-CB 3.43Å; F744-C767 VanDerWaalsContact CZ-CB 3.43Å; F744-C767 VanDerWaalsContact CZ-SG 3.59Å
745	C	84.6	Confident	77.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.184	C	C	.	.			trans	-76.1	167.6	163.1	65.9	0	0	0	0	110.5	C721 C724 F728 L732 E747 C748 S749	C721-C745 PolarHBondContact SG-N 2.78Å; C721-C745 VanDerWaalsContact SG-N 3.39Å; C724-C745 VanDerWaalsContact SG-SG 3.69Å; F728-C745 HydrophobicContact CE1-CB 4.22Å; L732-C745 HydrophobicContact CD1-CB 3.89Å; L732-C745 HydrophobicContact CD2-CB 4.37Å; L732-C745 HydrophobicContact CG-CB 4.26Å; C745-E747 VanDerWaalsContact C-N 3.35Å; C745-E747 PolarHBondContact O-N 3.32Å; C745-C748 PolarHBondContact O-N 3.22Å; C745-C748 VanDerWaalsContact O-N 3.15Å; C745-S749 PolarHBondContact O-N 3.39Å; C745-S749 PolarHBondContact O-OG 3.33Å
746	D	82.1	Confident	76.1	Confident	80 Å²	80	38.9 Å²	38.9	43%	0.428	20%	0.196	S	C	.	.	S	Bend	trans	-59.1	-44.6	-178.3	-166.6	61.2	0	0	0	111.7	H735 C748 S749 H750 R765	H735-D746 PolarHBondContact CD2-N 3.15Å; D746-C748 VanDerWaalsContact C-N 3.25Å; D746-C748 PolarHBondContact O-N 3.37Å; D746-S749 CarbonylContact O-C 3.58Å; D746-S749 PolarHBondContact O-N 3.21Å; D746-H750 PolarHBondContact O-N 3.47Å; D746-R765 IonicContact OD1-CZ 3.32Å; D746-R765 VanDerWaalsContact OD1-CZ 3.23Å; D746-R765 IonicContact OD1-NH1 2.93Å; D746-R765 PolarHBondContact OD1-NH1 3.07Å; D746-R765 IonicContact OD1-NH2 2.84Å; D746-R765 PolarHBondContact OD1-NH2 3.32Å
747	E	84.9	Confident	74.7	Confident	127 Å²	127	42.4 Å²	42.4	59%	0.593	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-53.7	-39.4	175.8	-62.9	174.8	162.5	0	0	112.8	K726 C745 S749 H750	K726-E747 IonicContact NZ-OE1 3.87Å; K726-E747 IonicContact NZ-OE2 3.98Å; K726-E747 PolarHBondContact NZ-OE2 2.92Å; C745-E747 VanDerWaalsContact C-N 3.35Å; C745-E747 PolarHBondContact O-N 3.32Å; E747-S749 VanDerWaalsContact C-N 3.35Å; E747-H750 PolarHBondContact O-ND1 3.47Å; E747-H750 VanDerWaalsContact O-ND1 3.09Å
748	C	85.7	Confident	73.3	Confident	11 Å²	11	44.8 Å²	44.8	7%	0.074	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-86.9	-2.8	-176.8	-69.7	0	0	0	0	114.1	N723 F744 C745 D746 C767 F768	N723-C748 HydrophobicContact CB-CB 3.96Å; N723-C748 PolarHBondContact ND2-SG 3.34Å; N723-C748 VanDerWaalsContact ND2-SG 3.41Å; F744-C748 HydrophobicContact CB-CB 4.18Å; F744-C748 HydrophobicContact CD1-CB 4.08Å; C745-C748 PolarHBondContact O-N 3.22Å; C745-C748 VanDerWaalsContact O-N 3.15Å; D746-C748 VanDerWaalsContact C-N 3.25Å; D746-C748 PolarHBondContact O-N 3.37Å; C748-C767 WeakPolarHBondContact O-CA 3.11Å; C748-F768 PolarHBondContact O-N 2.92Å
749	S	88.4	Confident	71.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-145.4	31.9	-175.6	63.4	0	0	0	0	113.5	C745 D746 E747 D751 R765 V766	C745-S749 PolarHBondContact O-N 3.39Å; C745-S749 PolarHBondContact O-OG 3.33Å; D746-S749 CarbonylContact O-C 3.58Å; D746-S749 PolarHBondContact O-N 3.21Å; E747-S749 VanDerWaalsContact C-N 3.35Å; S749-D751 VanDerWaalsContact C-N 3.29Å; S749-D751 PolarHBondContact O-N 3.04Å; S749-R765 WeakPolarHBondContact O-CD 3.47Å; S749-R765 WeakPolarHBondContact O-CG 3.38Å; S749-R765 PolarHBondContact O-NH1 3.3Å; S749-V766 CarbonylContact C-O 3.54Å; S749-V766 WeakPolarHBondContact CA-O 3.36Å
750	H	84.1	Confident	71	Confident	113 Å²	113	44 Å²	44	52%	0.523	23%	0.233	S	C	.	.			trans	-69.6	-27.5	-177.6	63.1	-84.8	0	0	0	113	D746 E747	D746-H750 PolarHBondContact O-N 3.47Å; E747-H750 PolarHBondContact O-ND1 3.47Å; E747-H750 VanDerWaalsContact O-ND1 3.09Å
751	D	79.8	Confident	69.8	Low	37 Å²	37	47.4 Å²	47.4	20%	0.198	25%	0.248	C	C	.	.			trans	-71.1	150.9	-176.2	-70.2	-43.8	0	0	0	113.9	S749 R765 V766 N771	S749-D751 VanDerWaalsContact C-N 3.29Å; S749-D751 PolarHBondContact O-N 3.04Å; D751-R765 WeakPolarHBondContact O-CA 3.37Å; D751-V766 HydrophobicContact CB-CG2 4.17Å; D751-V766 PolarHBondContact O-N 2.88Å; D751-N771 HydrophobicContact CB-CB 3.94Å; D751-N771 VanDerWaalsContact CB-ND2 3.3Å; D751-N771 WeakPolarHBondContact CB-ND2 3.35Å; D751-N771 PolarHBondContact OD1-ND2 3.45Å; D751-N771 PolarHBondContact OD2-ND2 3.14Å
752	R	79.8	Confident	68.6	Low	131 Å²	131	51.1 Å²	51.1	49%	0.494	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.3	173.1	-66.7	-169.3	170.1	-136.8	6.1	111.8	P763 V764	R752-P763 HydrophobicContact CB-CB 4.06Å; R752-V764 CarbonylContact C-O 3.06Å; R752-V764 VanDerWaalsContact CA-O 3.24Å; R752-V764 WeakPolarHBondContact CA-O 3.3Å
753	R	75	Confident	67.6	Low	49 Å²	49	52.2 Å²	52.2	19%	0.185	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.1	178.8	-171.6	178.3	71	120	-11.6	110.4	V764 V766 C770 K773	R753-V764 PolarHBondContact N-O 2.87Å; R753-V764 WeakPolarHBondContact O-CG2 3.36Å; R753-V764 PolarHBondContact O-N 3.31Å; R753-V766 HydrophobicContact CB-CG2 3.94Å; R753-C770 PolarHBondContact NE-O 3.43Å; R753-C770 PolarHBondContact NH2-O 3.16Å; R753-K773 PolarHBondContact NH1-O 3.04Å
754	A	59.6	Low	66.8	Low	28 Å²	28	52.6 Å²	52.6	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	143.8	169.9	0	0	0	0	0	110	P756 W760	A754-P756 VanDerWaalsContact C-CD 3.5Å; A754-W760 CarbonylContact C-O 2.89Å
755	V	55.3	Low	66.5	Low	5 Å²	5	54.4 Å²	54.4	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	70.7	175.4	-165.7	0	0	0	0	108.9	A739 S757 R758 G759 W760 V764 V766	A739-V755 HydrophobicContact CB-CG1 4.07Å; A739-V755 HydrophobicContact CB-CG2 4.08Å; V755-S757 PolarHBondContact O-N 3.35Å; V755-R758 HydrophobicContact CB-CB 4.29Å; V755-R758 HydrophobicContact CG1-CB 3.68Å; V755-R758 HydrophobicContact CG1-CG 3.52Å; V755-R758 CarbonylContact O-C 3.57Å; V755-R758 WeakPolarHBondContact O-CA 3.33Å; V755-R758 PolarHBondContact O-N 2.87Å; V755-G759 PolarHBondContact O-N 3.41Å; V755-W760 CarbonylContact C-O 3.49Å; V755-W760 VanDerWaalsContact C-O 3.26Å; V755-W760 HydrophobicContact CB-CB 4.11Å; V755-W760 HydrophobicContact CB-CG 4.49Å; V755-W760 PolarHBondContact N-O 2.78Å; V755-W760 PolarHBondContact O-N 3.43Å; V755-V764 HydrophobicContact CG2-CG2 3.86Å; V755-V766 HydrophobicContact CG2-CG1 3.92Å
756	P	49.8	Very low	66.3	Low	71 Å²	71	54.3 Å²	54.3	46%	0.461	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.4	-34.3	-177.4	-24.9	35.4	0	0	0	112.8	A754 R758 G759	A754-P756 VanDerWaalsContact C-CD 3.5Å; P756-R758 PolarHBondContact O-N 3.36Å; P756-G759 PolarHBondContact O-N 2.94Å
757	S	47.2	Very low	66.5	Low	88 Å²	88	50.8 Å²	50.8	62%	0.615	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.6	-7.4	173.9	60.9	0	0	0	0	115	V755	V755-S757 PolarHBondContact O-N 3.35Å
758	R	49.3	Very low	66.3	Low	50 Å²	50	48.7 Å²	48.7	19%	0.189	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-123.9	13.2	174.3	-62.4	-65.3	-166.7	152.1	6.6	111.8	K551 Y711 A739 V755 P756 W760	K551-R758 VanDerWaalsContact NZ-NH1 3.19Å; Y711-R758 VanDerWaalsContact CG-NH1 3.33Å; A739-R758 PolarHBondContact O-NE 3.23Å; A739-R758 PolarHBondContact O-NH2 2.8Å; V755-R758 HydrophobicContact CB-CB 4.29Å; V755-R758 HydrophobicContact CG1-CB 3.68Å; V755-R758 HydrophobicContact CG1-CG 3.52Å; V755-R758 CarbonylContact O-C 3.57Å; V755-R758 WeakPolarHBondContact O-CA 3.33Å; V755-R758 PolarHBondContact O-N 2.87Å; P756-R758 PolarHBondContact O-N 3.36Å; R758-W760 PolarHBondContact O-NE1 3.04Å
759	G	45.1	Very low	66.3	Low	26 Å²	26	52.3 Å²	52.3	27%	0.268	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	20	-179.5	0	0	0	0	0	114.9	R559 V755 P756	R559-G759 VanDerWaalsContact CZ-O 3.24Å; R559-G759 PolarHBondContact NH1-O 2.92Å; V755-G759 PolarHBondContact O-N 3.41Å; P756-G759 PolarHBondContact O-N 2.94Å
760	W	50.4	Low	65.9	Low	2 Å²	2	52.9 Å²	52.9	1%	0.008	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	89.8	177.5	-56.3	97.9	0	0	0	110.7	N555 R559 R738 A754 V755 R758 H762 V764	N555-W760 HydrophobicContact CB-CZ2 4.26Å; R559-W760 HydrophobicContact CB-CZ3 4.4Å; R559-W760 HydrophobicContact CG-CE3 4.03Å; R559-W760 HydrophobicContact CG-CH2 3.58Å; R559-W760 HydrophobicContact CG-CZ3 3.32Å; R738-W760 HydrophobicContact CG-CZ2 4.37Å; A754-W760 CarbonylContact C-O 2.89Å; V755-W760 CarbonylContact C-O 3.49Å; V755-W760 VanDerWaalsContact C-O 3.26Å; V755-W760 HydrophobicContact CB-CB 4.11Å; V755-W760 HydrophobicContact CB-CG 4.49Å; V755-W760 PolarHBondContact N-O 2.78Å; V755-W760 PolarHBondContact O-N 3.43Å; R758-W760 PolarHBondContact O-NE1 3.04Å; W760-H762 AromaticContact CE3-CE1 3.68Å; W760-H762 PolarHBondContact O-N 2.69Å; W760-V764 HydrophobicContact CB-CG1 4.22Å; W760-V764 HydrophobicContact CB-CG2 3.73Å; W760-V764 HydrophobicContact CD2-CG1 3.91Å; W760-V764 HydrophobicContact CD2-CG2 4.21Å; W760-V764 HydrophobicContact CE3-CB 4.48Å; W760-V764 HydrophobicContact CE3-CG1 3.43Å; W760-V764 VanDerWaalsContact CE3-CG1 3.43Å; W760-V764 HydrophobicContact CG-CG1 4.22Å; W760-V764 HydrophobicContact CG-CG2 3.8Å; W760-V764 HydrophobicContact CZ3-CG1 4.07Å
761	D	46	Very low	65.9	Low	113 Å²	113	49.9 Å²	49.9	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	-11.6	-177.3	-48.6	-58.2	0	0	0	113.3	R559	R559-D761 IonicContact NH2-OD2 3.31Å
762	H	45.9	Very low	65.9	Low	78 Å²	78	55 Å²	55	36%	0.361	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.5	177	46.8	18.6	0	0	0	112.5	W760 V764	W760-H762 AromaticContact CE3-CE1 3.68Å; W760-H762 PolarHBondContact O-N 2.69Å; H762-V764 PolarHBondContact O-N 3.42Å
763	P	60.7	Low	65.4	Low	83 Å²	83	55.2 Å²	55.2	54%	0.539	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	117	-178	-25.2	35	0	0	0	114.8	R752	R752-P763 HydrophobicContact CB-CB 4.06Å
764	V	62.5	Low	64.3	Low	9 Å²	9	57.7 Å²	57.7	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	157.8	178.1	-70.5	0	0	0	0	111.9	R738 R752 R753 V755 W760 H762 V766	R738-V764 HydrophobicContact CB-CB 4Å; R738-V764 HydrophobicContact CB-CG2 3.53Å; R738-V764 HydrophobicContact CG-CB 3.9Å; R738-V764 HydrophobicContact CG-CG2 3.99Å; R752-V764 CarbonylContact C-O 3.06Å; R752-V764 VanDerWaalsContact CA-O 3.24Å; R752-V764 WeakPolarHBondContact CA-O 3.3Å; R753-V764 PolarHBondContact N-O 2.87Å; R753-V764 WeakPolarHBondContact O-CG2 3.36Å; R753-V764 PolarHBondContact O-N 3.31Å; V755-V764 HydrophobicContact CG2-CG2 3.86Å; W760-V764 HydrophobicContact CB-CG1 4.22Å; W760-V764 HydrophobicContact CB-CG2 3.73Å; W760-V764 HydrophobicContact CD2-CG1 3.91Å; W760-V764 HydrophobicContact CD2-CG2 4.21Å; W760-V764 HydrophobicContact CE3-CB 4.48Å; W760-V764 HydrophobicContact CE3-CG1 3.43Å; W760-V764 VanDerWaalsContact CE3-CG1 3.43Å; W760-V764 HydrophobicContact CG-CG1 4.22Å; W760-V764 HydrophobicContact CG-CG2 3.8Å; W760-V764 HydrophobicContact CZ3-CG1 4.07Å; H762-V764 PolarHBondContact O-N 3.42Å; V764-V766 PolarHBondContact O-N 3.21Å
765	R	81.4	Confident	63.5	Low	40 Å²	40	59.6 Å²	59.6	15%	0.151	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	124.7	-176.4	-169.1	-175	-80	-94.8	12.4	111.9	R738 D746 S749 D751	R738-R765 WeakPolarHBondContact CD-O 3.23Å; R738-R765 PolarHBondContact N-O 3.08Å; D746-R765 IonicContact OD1-CZ 3.32Å; D746-R765 VanDerWaalsContact OD1-CZ 3.23Å; D746-R765 IonicContact OD1-NH1 2.93Å; D746-R765 PolarHBondContact OD1-NH1 3.07Å; D746-R765 IonicContact OD1-NH2 2.84Å; D746-R765 PolarHBondContact OD1-NH2 3.32Å; S749-R765 WeakPolarHBondContact O-CD 3.47Å; S749-R765 WeakPolarHBondContact O-CG 3.38Å; S749-R765 PolarHBondContact O-NH1 3.3Å; D751-R765 WeakPolarHBondContact O-CA 3.37Å
766	V	79.1	Confident	62.5	Low	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.366	C	S	.	.			trans	-128.7	149.4	177.8	-70.9	0	0	0	0	110	A739 S749 D751 R753 V755 V764 C770 N771	A739-V766 HydrophobicContact CB-CG1 4.05Å; S749-V766 CarbonylContact C-O 3.54Å; S749-V766 WeakPolarHBondContact CA-O 3.36Å; D751-V766 HydrophobicContact CB-CG2 4.17Å; D751-V766 PolarHBondContact O-N 2.88Å; R753-V766 HydrophobicContact CB-CG2 3.94Å; V755-V766 HydrophobicContact CG2-CG1 3.92Å; V764-V766 PolarHBondContact O-N 3.21Å; V766-C770 HydrophobicContact CB-CB 4.07Å; V766-C770 HydrophobicContact CG1-CB 4.48Å; V766-N771 HydrophobicContact CG2-CB 3.83Å
767	C	86.1	Confident	61.5	Low	5 Å²	5	71.8 Å²	71.8	3%	0.034	38%	0.38	C	S	.	.			trans	-69.7	157.9	169.5	70.6	0	0	0	0	110.4	C737 F744 C748 N769 C770 N771	C737-C767 HydrophobicContact CB-CB 4.14Å; C737-C767 PolarHBondContact SG-N 2.97Å; F744-C767 HydrophobicContact CD1-CB 3.84Å; F744-C767 HydrophobicContact CD2-CB 3.81Å; F744-C767 HydrophobicContact CE1-CB 3.57Å; F744-C767 HydrophobicContact CE2-CB 3.54Å; F744-C767 HydrophobicContact CG-CB 3.96Å; F744-C767 HydrophobicContact CZ-CB 3.43Å; F744-C767 VanDerWaalsContact CZ-CB 3.43Å; F744-C767 VanDerWaalsContact CZ-SG 3.59Å; C748-C767 WeakPolarHBondContact O-CA 3.11Å; C767-N769 PolarHBondContact O-N 3.37Å; C767-N769 VanDerWaalsContact O-N 3.13Å; C767-C770 CarbonylContact O-C 3.53Å; C767-C770 WeakPolarHBondContact O-CA 3.41Å; C767-C770 PolarHBondContact O-N 3.26Å; C767-C770 PolarHBondContact SG-SG 3.41Å; C767-N771 PolarHBondContact O-N 3.31Å
768	F	82.3	Confident	60.5	Low	83 Å²	83	73.4 Å²	73.4	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-46.5	-45.2	177.7	179.2	-105.1	0	0	0	113.4	C748 C770 N771 K772	C748-F768 PolarHBondContact O-N 2.92Å; F768-C770 VanDerWaalsContact C-N 3.33Å; F768-C770 PolarHBondContact O-N 3.18Å; F768-N771 PolarHBondContact O-N 2.81Å; F768-K772 HydrophobicContact CD1-CD 4.4Å; F768-K772 HydrophobicContact CE1-CD 3.94Å; F768-K772 HydrophobicContact CE2-CD 4.48Å; F768-K772 HydrophobicContact CZ-CD 4.05Å; F768-K772 PolarHBondContact O-N 2.69Å
769	N	84.5	Confident	59.4	Low	87 Å²	87	78.6 Å²	78.6	47%	0.465	42%	0.422	S	S	.	.	H	α-helix	trans	-66.9	-33.2	180	-66.6	-14.6	0	0	0	112.9	C767	C767-N769 PolarHBondContact O-N 3.37Å; C767-N769 VanDerWaalsContact O-N 3.13Å
770	C	80.9	Confident	58.4	Low	12 Å²	12	82 Å²	82	8%	0.081	44%	0.442	C	S	.	.	H	α-helix	trans	-80.5	-23.8	176.3	-71.9	0	0	0	0	112.4	A739 R753 V766 C767 F768	A739-C770 HydrophobicContact CB-CB 3.77Å; R753-C770 PolarHBondContact NE-O 3.43Å; R753-C770 PolarHBondContact NH2-O 3.16Å; V766-C770 HydrophobicContact CB-CB 4.07Å; V766-C770 HydrophobicContact CG1-CB 4.48Å; C767-C770 CarbonylContact O-C 3.53Å; C767-C770 WeakPolarHBondContact O-CA 3.41Å; C767-C770 PolarHBondContact O-N 3.26Å; C767-C770 PolarHBondContact SG-SG 3.41Å; F768-C770 VanDerWaalsContact C-N 3.33Å; F768-C770 PolarHBondContact O-N 3.18Å
771	N	82.7	Confident	57.2	Low	50 Å²	50	88.2 Å²	88.2	27%	0.267	48%	0.48	S	S	.	.	H	α-helix	trans	-71.1	-37.6	175.1	-164	35.2	0	0	0	111.8	D751 V766 C767 F768 K773	D751-N771 HydrophobicContact CB-CB 3.94Å; D751-N771 VanDerWaalsContact CB-ND2 3.3Å; D751-N771 WeakPolarHBondContact CB-ND2 3.35Å; D751-N771 PolarHBondContact OD1-ND2 3.45Å; D751-N771 PolarHBondContact OD2-ND2 3.14Å; V766-N771 HydrophobicContact CG2-CB 3.83Å; C767-N771 PolarHBondContact O-N 3.31Å; F768-N771 PolarHBondContact O-N 2.81Å; N771-K773 VanDerWaalsContact C-N 3.3Å; N771-K773 PolarHBondContact O-N 3.21Å
772	K	79.4	Confident	56.2	Low	145 Å²	145	88.8 Å²	88.8	63%	0.63	49%	0.487	S	S	*	.	S	Bend	trans	-73.2	-9	-179.7	-72.9	-174.1	168	-173.3	0	116.1	F768	F768-K772 HydrophobicContact CD1-CD 4.4Å; F768-K772 HydrophobicContact CE1-CD 3.94Å; F768-K772 HydrophobicContact CE2-CD 4.48Å; F768-K772 HydrophobicContact CZ-CD 4.05Å; F768-K772 PolarHBondContact O-N 2.69Å
773	K	69.9	Low	55.4	Low	135 Å²	135	91.2 Å²	91.2	59%	0.587	51%	0.507	S	S	*	.	S	Bend	trans	-80.8	133.5	178.3	-68.3	-173.5	179.7	-172.3	0	109.9	R753 N771	R753-K773 PolarHBondContact NH1-O 3.04Å; N771-K773 VanDerWaalsContact C-N 3.3Å; N771-K773 PolarHBondContact O-N 3.21Å
774	P	52.7	Low	53.7	Low	102 Å²	102	90.3 Å²	90.3	66%	0.662	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-55.8	143	178.3	21.2	-30.4	0	0	0	111.2	W776	P774-W776 PolarHBondContact O-N 2.93Å
775	A	41.5	Very low	52.1	Low	67 Å²	67	99.4 Å²	99.4	55%	0.554	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-75	117.5	172.2	0	0	0	0	0	107.8	T777	A775-T777 PolarHBondContact O-N 3.14Å; A775-T777 VanDerWaalsContact O-N 3.13Å
776	W	34.3	Very low	49.5	Very low	208 Å²	208	102.9 Å²	102.9	79%	0.788	58%	0.583	S	S	*	*			trans	-70.1	107.5	173.4	-64.9	82.5	0	0	0	107.6	P774	P774-W776 PolarHBondContact O-N 2.93Å
777	T	28.8	Very low	47.1	Very low	125 Å²	125	109.2 Å²	109.2	77%	0.767	62%	0.623	S	S	*	*			trans	-74.2	128.6	173.1	31.6	0	0	0	0	109.5	A775 L779	A775-T777 PolarHBondContact O-N 3.14Å; A775-T777 VanDerWaalsContact O-N 3.13Å; T777-L779 PolarHBondContact O-N 2.77Å; T777-L779 VanDerWaalsContact O-N 3.14Å
778	S	26.4	Very low	44.4	Very low	121 Å²	121	117.4 Å²	117.4	85%	0.846	67%	0.666	S	S	*	*			trans	-51.4	112.6	176.3	-46.2	0	0	0	0	111.3
779	L	26.3	Very low	41.8	Very low	160 Å²	160	123.1 Å²	123.1	84%	0.838	71%	0.714	S	S	*	*			trans	-89.1	128.7	165.7	-99	143.1	0	0	0	108.6	T777 V781	T777-L779 PolarHBondContact O-N 2.77Å; T777-L779 VanDerWaalsContact O-N 3.14Å; L779-V781 PolarHBondContact O-N 2.61Å
780	S	24.8	Very low	39.6	Very low	97 Å²	97	125 Å²	125	68%	0.678	73%	0.727	S	S	*	*			trans	-40.7	125.7	178.1	34.8	0	0	0	0	113.7	V782	S780-V782 PolarHBondContact O-N 3.43Å
781	V	25.5	Very low	37.5	Very low	132 Å²	132	130.9 Å²	130.9	80%	0.8	76%	0.761	S	S	*	*			trans	-64.8	98.1	166.4	-179.4	0	0	0	0	108	L779 T783	L779-V781 PolarHBondContact O-N 2.61Å; V781-T783 HydrophobicContact CG1-CG2 3.94Å
782	V	24.7	Very low	35	Very low	126 Å²	126	135.4 Å²	135.4	76%	0.764	79%	0.788	S	S	*	*			trans	-87.5	100.3	163.6	180	0	0	0	0	106.6	S780 G784	S780-V782 PolarHBondContact O-N 3.43Å; V782-G784 VanDerWaalsContact C-N 3.34Å; V782-G784 PolarHBondContact O-N 3.39Å
783	T	28.6	Very low	32.3	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	80%	0.797	S	S	*	*			trans	-71	91.2	168.3	48.7	0	0	0	0	108.6	V781	V781-T783 HydrophobicContact CG1-CG2 3.94Å
784	G	25.5	Very low	30	Very low	64 Å²	64	134.8 Å²	134.8	66%	0.66	81%	0.811	S	S	*	*			trans	-97.2	96	171.2	0	0	0	0	0	111	V782	V782-G784 VanDerWaalsContact C-N 3.34Å; V782-G784 PolarHBondContact O-N 3.39Å
785	K	29.3	Very low	28.5	Very low	201 Å²	201	137 Å²	137	87%	0.874	82%	0.82	S	S	*	*			trans	-147.8	124	150	-77	-162.9	178.4	174.5	0	110.3
786	S	25.6	Very low	27.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-69	157.6	172.7	-50	0	0	0	0	111.6
787	P	28.5	Very low	27	Very low	132 Å²	132	136.9 Å²	136.9	86%	0.857	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-74.3	138.7	-171.8	23.1	-19	0	0	0	111.9
788	L	29.9	Very low	26.9	Very low	177 Å²	177	137.9 Å²	137.9	93%	0.927	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-76.5	131.7	171.9	-78.2	155.8	0	0	0	110
789	C	27.5	Very low	26.9	Very low	204 Å²	204	139.5 Å²	139.5	100%	1.378	85%	0.85	S	S	*	*			trans	-92	0	154.2	-78.5	0	0	0	0	109.6

Retrieved 789 of 789 residues in 1905.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).