A0A087XJQ5_POEFO Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A087XJQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	27.4	Very low	232 Å²	232	161.5 Å²	161.5	100%	1.143	79%	0.79	S	S	*	*				0	87.2	0	-79.4	173.5	-149.5	0	0	106.8
2	F	25.9	Very low	27.2	Very low	189 Å²	189	160.3 Å²	160.3	83%	0.829	80%	0.798	S	S	*	*				65.5	92.6	93.3	-79.2	-76	0	0	0	110.2
3	H	27.9	Very low	27.4	Very low	179 Å²	179	162.5 Å²	162.5	83%	0.829	80%	0.8	S	S	*	*				80.8	117.8	84.5	-100.8	-58.9	0	0	0	112.7
4	S	28	Very low	27.3	Very low	106 Å²	106	155.5 Å²	155.5	74%	0.741	79%	0.791	S	S	*	*			trans	-146.5	107.6	148.7	-157.1	0	0	0	0	109.7
5	T	28.8	Very low	27.2	Very low	115 Å²	115	152.5 Å²	152.5	71%	0.706	79%	0.79	S	S	*	*			trans	49.9	107.7	130.5	61.5	0	0	0	0	117.7
6	D	27.1	Very low	27	Very low	139 Å²	139	153.9 Å²	153.9	74%	0.743	79%	0.791	S	S	*	*			cis	77.3	138.3	44.3	-141.2	4.1	0	0	0	115.2
7	F	26.2	Very low	26.9	Very low	158 Å²	158	152.1 Å²	152.1	69%	0.693	78%	0.782	S	S	*	*			trans	80.4	133	173.5	-73.5	-80.3	0	0	0	119.1
8	Q	26.5	Very low	26.8	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	78%	0.777	S	S	*	*			cis	-165.8	124.2	8.7	-158	149.1	-4.5	0	0	111.7
9	R	25.9	Very low	26.7	Very low	204 Å²	204	150.7 Å²	150.7	77%	0.77	77%	0.774	S	S	*	*				26.9	121.6	127.7	-131.9	175.7	-166.3	-175.9	4.1	119.8	L11	R9-L11 HydrophobicContact CG-CD1 4.4Å; R9-L11 HydrophobicContact CG-CG 4.4Å
10	M	24	Very low	26.7	Very low	198 Å²	198	148.9 Å²	148.9	98%	0.975	77%	0.772	S	S	*	*				-139.9	113.9	127.4	-110.4	-175.1	-175.8	0	0	110.2
11	L	27.5	Very low	27	Very low	105 Å²	105	148.5 Å²	148.5	55%	0.55	78%	0.777	S	S	.	*			trans	-77.7	135.2	171.8	-77.1	155.8	0	0	0	109.1	R9	R9-L11 HydrophobicContact CG-CD1 4.4Å; R9-L11 HydrophobicContact CG-CG 4.4Å
12	V	25	Very low	26.8	Very low	147 Å²	147	141.2 Å²	141.2	89%	0.891	75%	0.754	S	S	*	*			trans	-135.5	120.2	141.9	-176.7	0	0	0	0	108.3
13	F	30	Very low	27.1	Very low	188 Å²	188	138.1 Å²	138.1	83%	0.825	75%	0.752	S	S	*	*			trans	-59.5	126	176	-83.7	-102.7	0	0	0	111.2
14	G	25.6	Very low	27.8	Very low	65 Å²	65	133.5 Å²	133.5	67%	0.67	74%	0.737	S	S	*	*			trans	-136.2	102.4	162	0	0	0	0	0	107.5	E16	G14-E16 PolarHBondContact O-N 3.09Å
15	S	26.7	Very low	28.8	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	74%	0.738	S	S	*	*			trans	-47.3	108.6	175.7	43.9	0	0	0	0	111.8	I17	S15-I17 PolarHBondContact O-N 3.06Å; S15-I17 VanDerWaalsContact O-N 3.09Å
16	E	22.9	Very low	30.3	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	73%	0.732	S	S	*	*			trans	-64.5	105.8	165.1	-78.2	-174.6	153.7	0	0	108.5	G14 V18	G14-E16 PolarHBondContact O-N 3.09Å; E16-V18 HydrophobicContact CB-CG2 4.26Å; E16-V18 PolarHBondContact O-N 3.05Å
17	I	26.5	Very low	32.2	Very low	123 Å²	123	134.4 Å²	134.4	63%	0.631	72%	0.716	S	S	*	*			trans	-76.5	89.2	161.2	-52.2	176	0	0	0	106.2	S15 F19	S15-I17 PolarHBondContact O-N 3.06Å; S15-I17 VanDerWaalsContact O-N 3.09Å; I17-F19 HydrophobicContact CB-CD2 4.34Å; I17-F19 HydrophobicContact CB-CE2 3.98Å; I17-F19 HydrophobicContact CG2-CD1 4.28Å; I17-F19 HydrophobicContact CG2-CD2 3.62Å; I17-F19 HydrophobicContact CG2-CE1 3.93Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CG 4.15Å; I17-F19 HydrophobicContact CG2-CZ 3.4Å; I17-F19 VanDerWaalsContact CG2-CZ 3.4Å; I17-F19 PolarHBondContact O-N 3.04Å
18	V	25	Very low	34.7	Very low	114 Å²	114	130 Å²	130	69%	0.691	70%	0.7	S	S	*	*			trans	-68.8	97.5	166.1	-179.9	0	0	0	0	107.1	E16	E16-V18 HydrophobicContact CB-CG2 4.26Å; E16-V18 PolarHBondContact O-N 3.05Å
19	F	24.8	Very low	37.3	Very low	165 Å²	165	123 Å²	123	72%	0.724	67%	0.667	S	S	*	*			trans	-79.3	124.6	164.9	-72.9	-75.2	0	0	0	108.3	I17 T21	I17-F19 HydrophobicContact CB-CD2 4.34Å; I17-F19 HydrophobicContact CB-CE2 3.98Å; I17-F19 HydrophobicContact CG2-CD1 4.28Å; I17-F19 HydrophobicContact CG2-CD2 3.62Å; I17-F19 HydrophobicContact CG2-CE1 3.93Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CG 4.15Å; I17-F19 HydrophobicContact CG2-CZ 3.4Å; I17-F19 VanDerWaalsContact CG2-CZ 3.4Å; I17-F19 PolarHBondContact O-N 3.04Å; F19-T21 PolarHBondContact O-N 3.44Å
20	P	26.1	Very low	40	Very low	114 Å²	114	118 Å²	118	74%	0.74	66%	0.66	S	S	*	*			trans	-61.7	126.7	-179.6	23.6	-30.7	0	0	0	109.8	A22	P20-A22 VanDerWaalsContact C-N 3.3Å; P20-A22 PolarHBondContact O-N 2.89Å
21	T	33.2	Very low	42.7	Very low	141 Å²	141	112.2 Å²	112.2	87%	0.865	64%	0.639	S	S	*	*			trans	-62.9	88.1	171.2	47.1	0	0	0	0	109.6	F19	F19-T21 PolarHBondContact O-N 3.44Å
22	A	29.9	Very low	45.1	Very low	79 Å²	79	109.5 Å²	109.5	65%	0.653	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-74.5	127.4	165.7	0	0	0	0	0	108.8	P20 T24	P20-A22 VanDerWaalsContact C-N 3.3Å; P20-A22 PolarHBondContact O-N 2.89Å; A22-T24 PolarHBondContact O-N 3.43Å
23	P	32.2	Very low	47.8	Very low	124 Å²	124	107.1 Å²	107.1	81%	0.805	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-64.6	122.8	176.5	25	-30.9	0	0	0	109.4	K25	P23-K25 PolarHBondContact O-N 3.19Å
24	T	41.4	Very low	50.3	Low	81 Å²	81	101.5 Å²	101.5	50%	0.497	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-69.5	118.4	179.6	53.7	0	0	0	0	110.1	A22 K26	A22-T24 PolarHBondContact O-N 3.43Å; T24-K26 PolarHBondContact O-N 3.13Å; T24-K26 VanDerWaalsContact O-N 3.09Å
25	K	48.8	Very low	52.8	Low	176 Å²	176	98.8 Å²	98.8	77%	0.765	56%	0.562	S	S	*	*			trans	-57.7	112.2	170.2	-77.9	179.4	175	178.6	0	109.3	P23 V27	P23-K25 PolarHBondContact O-N 3.19Å; K25-V27 PolarHBondContact O-N 2.86Å
26	K	60.3	Low	55.4	Low	135 Å²	135	97 Å²	97	59%	0.587	54%	0.54	S	S	*	.			trans	-48.4	137.6	157.4	-68.7	177.5	169	-158.8	0	107.5	T24 L28 E34	T24-K26 PolarHBondContact O-N 3.13Å; T24-K26 VanDerWaalsContact O-N 3.09Å; K26-L28 HydrophobicContact CB-CD2 3.88Å; K26-L28 HydrophobicContact CB-CG 4.32Å; K26-L28 PolarHBondContact O-N 3.25Å; K26-E34 HydrophobicContact CB-CG 4.45Å; K26-E34 HydrophobicContact CD-CG 4.35Å; K26-E34 WeakPolarHBondContact CD-OE2 3.12Å; K26-E34 WeakPolarHBondContact CE-OE2 3.12Å; K26-E34 IonicContact NZ-OE2 3.28Å; K26-E34 PolarHBondContact NZ-OE2 3.45Å
27	V	68.4	Low	57.7	Low	68 Å²	68	91.1 Å²	91.1	41%	0.412	51%	0.512	S	S	.	.			trans	-70.7	104.4	173.4	-173.3	0	0	0	0	105.7	K25 C35 F37 C74	K25-V27 PolarHBondContact O-N 2.86Å; V27-C35 HydrophobicContact CB-CB 4.15Å; V27-C35 HydrophobicContact CG1-CB 4.26Å; V27-C35 VanDerWaalsContact CG1-SG 3.55Å; V27-C35 VanDerWaalsContact O-CB 3.32Å; V27-C35 WeakPolarHBondContact O-CB 3.13Å; V27-C35 PolarHBondContact O-N 3.35Å; V27-C35 PolarHBondContact O-SG 2.88Å; V27-F37 HydrophobicContact CB-CE2 4.12Å; V27-F37 HydrophobicContact CG1-CE2 4.4Å; V27-F37 HydrophobicContact CG2-CE2 4.26Å; V27-C74 HydrophobicContact CG1-CB 4.38Å
28	L	78.2	Confident	59.8	Low	67 Å²	67	86.7 Å²	86.7	35%	0.351	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-97.1	149.5	178.1	-59.3	-178.5	0	0	0	108.8	K26 Q33 E34 A75	K26-L28 HydrophobicContact CB-CD2 3.88Å; K26-L28 HydrophobicContact CB-CG 4.32Å; K26-L28 PolarHBondContact O-N 3.25Å; L28-Q33 CarbonylContact C-O 3.53Å; L28-Q33 VanDerWaalsContact CA-O 3.22Å; L28-Q33 WeakPolarHBondContact CA-O 3.16Å; L28-E34 HydrophobicContact CD2-CB 4.19Å; L28-A75 WeakPolarHBondContact O-CB 3.23Å; L28-A75 PolarHBondContact O-N 2.8Å
29	T	82.2	Confident	62.2	Low	3 Å²	3	81.2 Å²	81.2	2%	0.018	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-67.7	166.7	163.8	62.2	0	0	0	0	109.9	S31 G32 Q33 L61 F73	T29-S31 PolarHBondContact O-N 2.03Å; T29-S31 VanDerWaalsContact O-N 3.12Å; T29-S31 PolarHBondContact OG1-N 3.2Å; T29-S31 PolarHBondContact OG1-OG 2.89Å; T29-G32 PolarHBondContact O-N 3.21Å; T29-G32 PolarHBondContact OG1-N 3.37Å; T29-Q33 HydrophobicContact CG2-CB 4.4Å; T29-Q33 PolarHBondContact N-O 2.72Å; T29-Q33 WeakPolarHBondContact OG1-CB 3.45Å; T29-Q33 PolarHBondContact OG1-N 2.93Å; T29-Q33 PolarHBondContact OG1-O 3.46Å; T29-L61 HydrophobicContact CG2-CD2 3.63Å; T29-F73 CarbonylContact C-O 3.44Å; T29-F73 VanDerWaalsContact C-O 3.28Å; T29-F73 WeakPolarHBondContact CA-O 3.46Å; T29-F73 WeakPolarHBondContact CB-O 3.41Å
30	T	81.3	Confident	64.4	Low	100 Å²	100	73.7 Å²	73.7	61%	0.613	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.3	169.6	52.3	0	0	0	0	112.5	F73	T30-F73 HydrophobicContact CG2-CB 4.05Å; T30-F73 PolarHBondContact N-O 3.24Å
31	S	80.5	Confident	66.4	Low	76 Å²	76	69.7 Å²	69.7	53%	0.531	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.8	172.5	54.1	0	0	0	0	113.9	T29 Q33	T29-S31 PolarHBondContact O-N 2.03Å; T29-S31 VanDerWaalsContact O-N 3.12Å; T29-S31 PolarHBondContact OG1-N 3.2Å; T29-S31 PolarHBondContact OG1-OG 2.89Å; S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact O-N 2.87Å; S31-Q33 PolarHBondContact OG-OE1 3.24Å; S31-Q33 VanDerWaalsContact OG-OE1 3.05Å
32	G	77.9	Confident	67.6	Low	48 Å²	48	65.7 Å²	65.7	50%	0.495	38%	0.383	S	S	.	.	S	Bend	trans	78.6	9	178.7	0	0	0	0	0	115.1	T29	T29-G32 PolarHBondContact O-N 3.21Å; T29-G32 PolarHBondContact OG1-N 3.37Å
33	Q	81.4	Confident	68.7	Low	98 Å²	98	63.1 Å²	63.1	46%	0.458	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-86.8	143.3	179.8	-61.3	175.1	-67.2	0	0	110.9	L28 T29 S31 C35 L61	L28-Q33 CarbonylContact C-O 3.53Å; L28-Q33 VanDerWaalsContact CA-O 3.22Å; L28-Q33 WeakPolarHBondContact CA-O 3.16Å; T29-Q33 HydrophobicContact CG2-CB 4.4Å; T29-Q33 PolarHBondContact N-O 2.72Å; T29-Q33 WeakPolarHBondContact OG1-CB 3.45Å; T29-Q33 PolarHBondContact OG1-N 2.93Å; T29-Q33 PolarHBondContact OG1-O 3.46Å; S31-Q33 VanDerWaalsContact C-N 3.32Å; S31-Q33 PolarHBondContact O-N 2.87Å; S31-Q33 PolarHBondContact OG-OE1 3.24Å; S31-Q33 VanDerWaalsContact OG-OE1 3.05Å; Q33-C35 PolarHBondContact O-N 3.3Å; Q33-L61 HydrophobicContact CB-CD1 4.3Å; Q33-L61 HydrophobicContact CB-CD2 3.69Å
34	E	83.4	Confident	69.8	Low	70 Å²	70	61.6 Å²	61.6	33%	0.327	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-75.4	124.3	-178	-170.3	-173.8	119.5	0	0	111.7	K26 L28 K36	K26-E34 HydrophobicContact CB-CG 4.45Å; K26-E34 HydrophobicContact CD-CG 4.35Å; K26-E34 WeakPolarHBondContact CD-OE2 3.12Å; K26-E34 WeakPolarHBondContact CE-OE2 3.12Å; K26-E34 IonicContact NZ-OE2 3.28Å; K26-E34 PolarHBondContact NZ-OE2 3.45Å; L28-E34 HydrophobicContact CD2-CB 4.19Å; E34-K36 IonicContact OE1-NZ 2.77Å; E34-K36 PolarHBondContact OE1-NZ 2.86Å
35	C	77.6	Confident	70.7	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.054	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.4	138.4	169.9	-62.4	0	0	0	0	111.1	V27 Q33 F37 C59	V27-C35 HydrophobicContact CB-CB 4.15Å; V27-C35 HydrophobicContact CG1-CB 4.26Å; V27-C35 VanDerWaalsContact CG1-SG 3.55Å; V27-C35 VanDerWaalsContact O-CB 3.32Å; V27-C35 WeakPolarHBondContact O-CB 3.13Å; V27-C35 PolarHBondContact O-N 3.35Å; V27-C35 PolarHBondContact O-SG 2.88Å; Q33-C35 PolarHBondContact O-N 3.3Å; C35-F37 HydrophobicContact CB-CD2 4.21Å; C35-F37 HydrophobicContact CB-CE2 3.48Å; C35-F37 VanDerWaalsContact CB-CE2 3.48Å; C35-F37 HydrophobicContact CB-CZ 3.82Å; C35-C59 HydrophobicContact CB-CB 3.54Å; C35-C59 WeakPolarHBondContact CB-SG 3.47Å; C35-C59 WeakPolarHBondContact SG-CB 3.45Å; C35-C59 CovalentContact SG-SG 2.01Å; C35-C59 PolarHBondContact SG-SG 3.44Å
36	K	81.1	Confident	71.3	Confident	72 Å²	72	51.8 Å²	51.8	31%	0.313	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-101	128.4	174.2	-66.5	-60.8	179.3	-168.1	0	111.2	E34 F39 S60 L61	E34-K36 IonicContact OE1-NZ 2.77Å; E34-K36 PolarHBondContact OE1-NZ 2.86Å; K36-F39 WeakPolarHBondContact O-CD1 3.31Å; K36-S60 PolarHBondContact N-O 2.92Å; K36-L61 WeakPolarHBondContact CG-O 3.11Å
37	F	71.9	Confident	71.7	Confident	51 Å²	51	47.8 Å²	47.8	22%	0.224	28%	0.278	C	S	.	.	S	Bend	trans	-131.4	144.8	178.9	-64	-64.7	0	0	0	111.1	V27 C35 F39 R48 C59 H63	V27-F37 HydrophobicContact CB-CE2 4.12Å; V27-F37 HydrophobicContact CG1-CE2 4.4Å; V27-F37 HydrophobicContact CG2-CE2 4.26Å; C35-F37 HydrophobicContact CB-CD2 4.21Å; C35-F37 HydrophobicContact CB-CE2 3.48Å; C35-F37 VanDerWaalsContact CB-CE2 3.48Å; C35-F37 HydrophobicContact CB-CZ 3.82Å; F37-F39 AromaticContact CD1-CD1 3.8Å; F37-F39 HydrophobicContact CD1-CD1 3.8Å; F37-F39 HydrophobicContact CD1-CE1 4.16Å; F37-F39 AromaticContact CE1-CD1 3.74Å; F37-F39 HydrophobicContact CE1-CD1 3.74Å; F37-F39 AromaticContact CE1-CE1 3.65Å; F37-F39 HydrophobicContact CE1-CE1 3.65Å; F37-R48 VanDerWaalsContact CE1-N 3.27Å; F37-R48 WeakPolarHBondContact CE1-O 3.19Å; F37-C59 HydrophobicContact CE1-CB 4.2Å; F37-C59 HydrophobicContact CZ-CB 3.77Å; F37-H63 PolarHBondContact O-CE1 3.26Å
38	P	71.1	Confident	71.6	Confident	30 Å²	30	49.8 Å²	49.8	20%	0.195	28%	0.278	C	S	.	.	S	Bend	cis	-66.9	148.8	-14	28.5	-32.6	0	0	0	111.3	L45 H46 H63 L239	P38-L45 HydrophobicContact CB-CB 4.31Å; P38-H46 CarbonylContact C-O 3.44Å; P38-H46 WeakPolarHBondContact CA-O 3.33Å; P38-H63 PolarHBondContact O-ND1 3.36Å; P38-L239 HydrophobicContact CG-CD1 4.42Å
39	F	75.3	Confident	71.4	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.7	169	74.1	-97.2	0	0	0	111.6	K36 F37 Q41 H46 I50 W58 C59 T62 H63 F65	K36-F39 WeakPolarHBondContact O-CD1 3.31Å; F37-F39 AromaticContact CD1-CD1 3.8Å; F37-F39 HydrophobicContact CD1-CD1 3.8Å; F37-F39 HydrophobicContact CD1-CE1 4.16Å; F37-F39 AromaticContact CE1-CD1 3.74Å; F37-F39 HydrophobicContact CE1-CD1 3.74Å; F37-F39 AromaticContact CE1-CE1 3.65Å; F37-F39 HydrophobicContact CE1-CE1 3.65Å; F39-Q41 HydrophobicContact CD2-CB 4.39Å; F39-Q41 HydrophobicContact CE2-CB 4.04Å; F39-H46 HydrophobicContact CD1-CB 4.26Å; F39-H46 HydrophobicContact CD2-CB 4.43Å; F39-H46 HydrophobicContact CE1-CB 3.92Å; F39-H46 HydrophobicContact CE2-CB 4.1Å; F39-H46 AromaticContact CE2-CD2 3.98Å; F39-H46 HydrophobicContact CZ-CB 3.84Å; F39-H46 PolarHBondContact N-O 2.94Å; F39-H46 PolarHBondContact O-N 2.81Å; F39-I50 HydrophobicContact CE2-CD1 3.92Å; F39-I50 HydrophobicContact CZ-CD1 3.64Å; F39-I50 HydrophobicContact CZ-CG1 4.04Å; F39-W58 AromaticContact CE2-CH2 3.87Å; F39-W58 HydrophobicContact CE2-CH2 3.87Å; F39-W58 AromaticContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CZ-CE3 4.46Å; F39-W58 HydrophobicContact CZ-CH2 4.19Å; F39-W58 AromaticContact CZ-CZ3 3.94Å; F39-W58 HydrophobicContact CZ-CZ3 3.94Å; F39-C59 HydrophobicContact CE1-CB 4.27Å; F39-T62 VanDerWaalsContact CB-O 3.29Å; F39-T62 WeakPolarHBondContact CB-O 3.14Å; F39-H63 CarbonylContact C-O 3.59Å; F39-H63 VanDerWaalsContact CA-O 3.25Å; F39-H63 WeakPolarHBondContact CA-O 3.43Å; F39-F65 HydrophobicContact CD2-CB 3.97Å; F39-F65 HydrophobicContact CE2-CB 4.44Å
40	R	71.3	Confident	70.9	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.8	178.5	-179.1	-174.2	165	144.3	3.3	111.1	W44 L45 H63 F65 D66 L239 D242 E243	R40-W44 CarbonylContact C-O 3.46Å; R40-W44 VanDerWaalsContact CA-O 3.32Å; R40-W44 WeakPolarHBondContact CA-O 3.22Å; R40-L45 HydrophobicContact CB-CD2 3.96Å; R40-H63 PolarHBondContact N-O 3.46Å; R40-F65 VanDerWaalsContact O-CB 3.29Å; R40-F65 WeakPolarHBondContact O-CB 3.42Å; R40-F65 PolarHBondContact O-N 2.93Å; R40-D66 WeakPolarHBondContact CG-OD2 3.45Å; R40-D66 IonicContact NE-OD2 3.5Å; R40-D66 PolarHBondContact NE-OD2 3.17Å; R40-D66 PolarHBondContact O-N 3.35Å; R40-L239 HydrophobicContact CB-CD2 4.26Å; R40-L239 PolarHBondContact NH1-O 2.02Å; R40-L239 VanDerWaalsContact NH1-O 3.17Å; R40-D242 IonicContact CZ-OD2 2.7Å; R40-D242 IonicContact NE-OD2 3.52Å; R40-D242 PolarHBondContact NE-OD2 3.01Å; R40-D242 IonicContact NH1-OD2 2.72Å; R40-D242 VanDerWaalsContact NH2-CB 3.32Å; R40-D242 IonicContact NH2-OD2 3.01Å; R40-D242 PolarHBondContact NH2-OD2 3.46Å; R40-E243 IonicContact CZ-OE1 2.71Å; R40-E243 IonicContact NH1-OE1 2.91Å; R40-E243 PolarHBondContact NH1-OE1 3.18Å; R40-E243 IonicContact NH2-OE1 3.81Å; R40-E243 PolarHBondContact NH2-OE1 3.02Å
41	Q	68.2	Low	70.4	Confident	30 Å²	30	48.1 Å²	48.1	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.4	167	-176	-166.6	28.9	0	0	110.7	F39 G43 W44 W58 F65 D66	F39-Q41 HydrophobicContact CD2-CB 4.39Å; F39-Q41 HydrophobicContact CE2-CB 4.04Å; Q41-G43 PolarHBondContact O-N 3.38Å; Q41-W44 PolarHBondContact N-O 2.71Å; Q41-W44 PolarHBondContact O-N 3.37Å; Q41-W58 HydrophobicContact CG-CH2 4.41Å; Q41-W58 VanDerWaalsContact NE2-CZ2 3.3Å; Q41-F65 HydrophobicContact CB-CD1 4.04Å; Q41-F65 HydrophobicContact CG-CD1 3.67Å; Q41-F65 HydrophobicContact CG-CE1 3.94Å; Q41-D66 VanDerWaalsContact CA-OD1 3.27Å; Q41-D66 WeakPolarHBondContact CA-OD1 3.22Å
42	G	57.8	Low	69.5	Low	57 Å²	57	47.7 Å²	47.7	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.3	179.4	0	0	0	0	0	112.8	W44 D66	G42-W44 VanDerWaalsContact C-N 3.31Å; G42-W44 PolarHBondContact O-N 2.04Å; G42-D66 VanDerWaalsContact N-CG 3.27Å; G42-D66 PolarHBondContact N-OD1 2.91Å; G42-D66 PolarHBondContact N-OD2 3.03Å
43	G	53.7	Low	68.5	Low	25 Å²	25	50.7 Å²	50.7	26%	0.258	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	3.1	-174.5	0	0	0	0	0	116	Q41 D66	Q41-G43 PolarHBondContact O-N 3.38Å; G43-D66 PolarHBondContact N-OD2 3.33Å
44	W	54.2	Low	67.7	Low	92 Å²	92	47.7 Å²	47.7	35%	0.348	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	142.2	177.3	-67.8	87.7	0	0	0	111.8	R40 Q41 G42 H46 P410	R40-W44 CarbonylContact C-O 3.46Å; R40-W44 VanDerWaalsContact CA-O 3.32Å; R40-W44 WeakPolarHBondContact CA-O 3.22Å; Q41-W44 PolarHBondContact N-O 2.71Å; Q41-W44 PolarHBondContact O-N 3.37Å; G42-W44 VanDerWaalsContact C-N 3.31Å; G42-W44 PolarHBondContact O-N 2.04Å; W44-H46 PolarHBondContact O-CD2 3.25Å; W44-P410 HydrophobicContact CZ2-CG 4.45Å
45	L	60.4	Low	67	Low	7 Å²	7	50 Å²	50	4%	0.037	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.4	176.3	-62.9	177.5	0	0	0	110.7	P38 R40 H47 L239 V277 S280 I282	P38-L45 HydrophobicContact CB-CB 4.31Å; R40-L45 HydrophobicContact CB-CD2 3.96Å; L45-H47 PolarHBondContact O-ND1 3.09Å; L45-L239 HydrophobicContact CD1-CD1 4.43Å; L45-L239 HydrophobicContact CD2-CD1 4.09Å; L45-L239 HydrophobicContact CD2-CD2 3.67Å; L45-L239 HydrophobicContact CD2-CG 4.36Å; L45-V277 HydrophobicContact CD1-CB 4.43Å; L45-V277 HydrophobicContact CD1-CG1 3.77Å; L45-V277 HydrophobicContact CD1-CG2 3.75Å; L45-S280 WeakPolarHBondContact CB-O 3.4Å; L45-S280 PolarHBondContact N-O 2.9Å; L45-I282 HydrophobicContact CD1-CG1 4.14Å; L45-I282 HydrophobicContact CD2-CG1 4.45Å; L45-I282 HydrophobicContact CG-CG1 4.4Å
46	H	62.3	Low	66.8	Low	44 Å²	44	56 Å²	56	20%	0.204	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.1	177.2	-60.3	-69.5	0	0	0	110.6	P38 F39 W44 I50	P38-H46 CarbonylContact C-O 3.44Å; P38-H46 WeakPolarHBondContact CA-O 3.33Å; F39-H46 HydrophobicContact CD1-CB 4.26Å; F39-H46 HydrophobicContact CD2-CB 4.43Å; F39-H46 HydrophobicContact CE1-CB 3.92Å; F39-H46 HydrophobicContact CE2-CB 4.1Å; F39-H46 AromaticContact CE2-CD2 3.98Å; F39-H46 HydrophobicContact CZ-CB 3.84Å; F39-H46 PolarHBondContact N-O 2.94Å; F39-H46 PolarHBondContact O-N 2.81Å; W44-H46 PolarHBondContact O-CD2 3.25Å; H46-I50 HydrophobicContact CB-CG2 4.06Å
47	H	68.2	Low	66.7	Low	51 Å²	51	54.8 Å²	54.8	24%	0.236	32%	0.319	C	S	.	.	S	Bend	trans	-104.6	10.6	180	-61.4	73.1	0	0	0	112.1	L45 H110	L45-H47 PolarHBondContact O-ND1 3.09Å; H47-H110 AromaticContact CD2-CE1 3.73Å; H47-H110 AromaticContact CD2-ND1 3.95Å; H47-H110 AromaticContact CD2-NE2 3.76Å
48	R	65.4	Low	67.4	Low	110 Å²	110	52.7 Å²	52.7	42%	0.415	31%	0.31	S	S	.	.	S	Bend	trans	-153.8	167.7	-176.8	64	175	-178.2	-96.4	6	111.2	F37 I50	F37-R48 VanDerWaalsContact CE1-N 3.27Å; F37-R48 WeakPolarHBondContact CE1-O 3.19Å; R48-I50 PolarHBondContact O-N 3.3Å
49	C	75	Confident	68	Low	29 Å²	29	51.2 Å²	51.2	20%	0.196	30%	0.3	C	S	.	.			trans	-60.4	137.5	167.3	-52.4	0	0	0	0	110.2	P57 W58 C74	C49-P57 HydrophobicContact CB-CB 3.89Å; C49-W58 CarbonylContact C-O 3.45Å; C49-W58 WeakPolarHBondContact CA-O 3.34Å; C49-C74 HydrophobicContact CB-CB 3.87Å; C49-C74 WeakPolarHBondContact CB-SG 3.29Å; C49-C74 WeakPolarHBondContact SG-CB 3.38Å; C49-C74 CovalentContact SG-SG 2.01Å; C49-C74 PolarHBondContact SG-SG 2.83Å
50	I	71.3	Confident	68.5	Low	15 Å²	15	51.2 Å²	51.2	8%	0.077	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-119.2	151.6	-177.5	59.3	-174.2	0	0	0	110.1	F39 H46 R48 P57 W58	F39-I50 HydrophobicContact CE2-CD1 3.92Å; F39-I50 HydrophobicContact CZ-CD1 3.64Å; F39-I50 HydrophobicContact CZ-CG1 4.04Å; H46-I50 HydrophobicContact CB-CG2 4.06Å; R48-I50 PolarHBondContact O-N 3.3Å; I50-P57 WeakPolarHBondContact O-CA 3.32Å; I50-W58 HydrophobicContact CD1-CH2 3.96Å; I50-W58 HydrophobicContact CD1-CZ2 3.56Å; I50-W58 HydrophobicContact CG1-CD2 4.2Å; I50-W58 HydrophobicContact CG1-CH2 4.39Å; I50-W58 HydrophobicContact CG1-CZ2 3.77Å; I50-W58 PolarHBondContact N-O 2.77Å; I50-W58 PolarHBondContact O-N 3.01Å; I50-W58 PolarHBondContact O-NE1 3.31Å
51	T	70.6	Confident	69.2	Low	91 Å²	91	52.2 Å²	52.2	56%	0.558	31%	0.306	S	S	*	.			trans	-104.6	12.1	173.7	50.2	0	0	0	0	111.2	S53 S54 P57	T51-S53 PolarHBondContact O-N 3.49Å; T51-S54 CarbonylContact C-O 3.55Å; T51-S54 WeakPolarHBondContact CA-O 3.32Å; T51-S54 PolarHBondContact O-N 3.47Å; T51-P57 HydrophobicContact CG2-CB 4.05Å
52	S	61	Low	69.9	Low	67 Å²	67	51.9 Å²	51.9	47%	0.469	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126.6	172.4	-170.8	0	0	0	0	108.2	S54 W58	S52-S54 PolarHBondContact O-N 2.93Å; S52-W58 PolarHBondContact O-NE1 3.29Å
53	S	57	Low	70.8	Confident	110 Å²	110	52.3 Å²	52.3	77%	0.769	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	9.5	-177.8	64	0	0	0	0	117.5	T51	T51-S53 PolarHBondContact O-N 3.49Å
54	S	64.4	Low	71.7	Confident	36 Å²	36	51.1 Å²	51.1	25%	0.252	28%	0.28	S	S	.	.	S	Bend	trans	-152.4	146.6	174.6	-174.1	0	0	0	0	113.1	T51 S52 K56	T51-S54 CarbonylContact C-O 3.55Å; T51-S54 WeakPolarHBondContact CA-O 3.32Å; T51-S54 PolarHBondContact O-N 3.47Å; S52-S54 PolarHBondContact O-N 2.93Å; S54-K56 PolarHBondContact O-N 3.37Å; S54-K56 PolarHBondContact OG-N 3.26Å; S54-K56 PolarHBondContact OG-O 3.2Å
55	S	69	Low	72.9	Confident	119 Å²	119	48.2 Å²	48.2	83%	0.832	27%	0.27	S	S	*	.	S	Bend	trans	-70.4	-18.8	174.5	57.3	0	0	0	0	113.4
56	K	74.6	Confident	73	Confident	132 Å²	132	50.2 Å²	50.2	57%	0.574	28%	0.281	S	S	*	.	S	Bend	trans	-105.8	137.6	176.6	-69.2	-177.7	-179.4	179.6	0	110.6	S54 W58 F73	S54-K56 PolarHBondContact O-N 3.37Å; S54-K56 PolarHBondContact OG-N 3.26Å; S54-K56 PolarHBondContact OG-O 3.2Å; K56-W58 PolarHBondContact O-N 2.9Å; K56-F73 HydrophobicContact CB-CD1 3.56Å; K56-F73 HydrophobicContact CB-CE1 3.75Å; K56-F73 HydrophobicContact CB-CG 4.47Å; K56-F73 HydrophobicContact CD-CD1 4.47Å
57	P	79	Confident	73.4	Confident	47 Å²	47	52 Å²	52	31%	0.305	29%	0.286	S	S	.	.			trans	-65.2	133.7	177.7	27.3	-33.6	0	0	0	110.3	C49 I50 T51 C74	C49-P57 HydrophobicContact CB-CB 3.89Å; I50-P57 WeakPolarHBondContact O-CA 3.32Å; T51-P57 HydrophobicContact CG2-CB 4.05Å; P57-C74 PolarHBondContact O-N 3.13Å
58	W	85.9	Confident	74	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.2	-178.9	68.8	-90.4	0	0	0	111.2	F39 Q41 C49 I50 S52 K56 F65 W71 G72 F73	F39-W58 AromaticContact CE2-CH2 3.87Å; F39-W58 HydrophobicContact CE2-CH2 3.87Å; F39-W58 AromaticContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CZ-CE3 4.46Å; F39-W58 HydrophobicContact CZ-CH2 4.19Å; F39-W58 AromaticContact CZ-CZ3 3.94Å; F39-W58 HydrophobicContact CZ-CZ3 3.94Å; Q41-W58 HydrophobicContact CG-CH2 4.41Å; Q41-W58 VanDerWaalsContact NE2-CZ2 3.3Å; C49-W58 CarbonylContact C-O 3.45Å; C49-W58 WeakPolarHBondContact CA-O 3.34Å; I50-W58 HydrophobicContact CD1-CH2 3.96Å; I50-W58 HydrophobicContact CD1-CZ2 3.56Å; I50-W58 HydrophobicContact CG1-CD2 4.2Å; I50-W58 HydrophobicContact CG1-CH2 4.39Å; I50-W58 HydrophobicContact CG1-CZ2 3.77Å; I50-W58 PolarHBondContact N-O 2.77Å; I50-W58 PolarHBondContact O-N 3.01Å; I50-W58 PolarHBondContact O-NE1 3.31Å; S52-W58 PolarHBondContact O-NE1 3.29Å; K56-W58 PolarHBondContact O-N 2.9Å; W58-F65 HydrophobicContact CH2-CD1 4.07Å; W58-F65 AromaticContact CH2-CD2 3.92Å; W58-F65 HydrophobicContact CH2-CD2 3.92Å; W58-F65 AromaticContact CH2-CE1 3.91Å; W58-F65 HydrophobicContact CH2-CE1 3.91Å; W58-F65 AromaticContact CH2-CE2 3.75Å; W58-F65 HydrophobicContact CH2-CE2 3.75Å; W58-F65 HydrophobicContact CH2-CG 4.05Å; W58-F65 AromaticContact CH2-CZ 3.74Å; W58-F65 HydrophobicContact CH2-CZ 3.74Å; W58-F65 HydrophobicContact CZ2-CZ 4.5Å; W58-F65 AromaticContact CZ3-CD2 3.68Å; W58-F65 HydrophobicContact CZ3-CD2 3.68Å; W58-F65 AromaticContact CZ3-CE2 3.65Å; W58-F65 HydrophobicContact CZ3-CE2 3.65Å; W58-F65 HydrophobicContact CZ3-CG 4.17Å; W58-F65 HydrophobicContact CZ3-CZ 4.13Å; W58-W71 HydrophobicContact CB-CE3 3.82Å; W58-W71 HydrophobicContact CB-CZ3 4.07Å; W58-W71 HydrophobicContact CD2-CE3 4.25Å; W58-W71 HydrophobicContact CE3-CB 3.64Å; W58-W71 HydrophobicContact CE3-CD2 4.38Å; W58-W71 HydrophobicContact CE3-CE3 4.2Å; W58-W71 HydrophobicContact CE3-CG 4.21Å; W58-W71 HydrophobicContact CG-CE3 4.12Å; W58-W71 HydrophobicContact CG-CZ3 4.43Å; W58-W71 HydrophobicContact CZ3-CB 3.78Å; W58-W71 HydrophobicContact CZ3-CG 4.42Å; W58-G72 WeakPolarHBondContact CA-O 3.39Å; W58-G72 WeakPolarHBondContact CB-O 3.41Å; W58-F73 HydrophobicContact CB-CD1 4.09Å
59	C	82.4	Confident	74.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.5	178.1	67.5	0	0	0	0	110.7	C35 F37 F39 W71 G72 C74	C35-C59 HydrophobicContact CB-CB 3.54Å; C35-C59 WeakPolarHBondContact CB-SG 3.47Å; C35-C59 WeakPolarHBondContact SG-CB 3.45Å; C35-C59 CovalentContact SG-SG 2.01Å; C35-C59 PolarHBondContact SG-SG 3.44Å; F37-C59 HydrophobicContact CE1-CB 4.2Å; F37-C59 HydrophobicContact CZ-CB 3.77Å; F39-C59 HydrophobicContact CE1-CB 4.27Å; C59-W71 CarbonylContact O-C 3.55Å; C59-W71 WeakPolarHBondContact O-CA 3.35Å; C59-W71 VanDerWaalsContact O-CB 3.31Å; C59-W71 WeakPolarHBondContact O-CB 3.34Å; C59-G72 PolarHBondContact N-O 3.36Å; C59-G72 PolarHBondContact O-N 2.82Å; C59-C74 VanDerWaalsContact CB-SG 3.58Å
60	S	86.1	Confident	75.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	148.6	168.2	-169.1	0	0	0	0	111.7	K36 T62 Q70	K36-S60 PolarHBondContact N-O 2.92Å; S60-T62 VanDerWaalsContact C-N 3.33Å; S60-T62 VanDerWaalsContact CB-O 3.32Å; S60-T62 WeakPolarHBondContact CB-O 3Å; S60-T62 PolarHBondContact OG-N 2.91Å; S60-T62 PolarHBondContact OG-O 3.06Å; S60-Q70 WeakPolarHBondContact CA-O 2.95Å; S60-Q70 PolarHBondContact OG-O 3.12Å
61	L	86	Confident	76.3	Confident	28 Å²	28	63.7 Å²	63.7	15%	0.147	33%	0.33	C	S	.	.	S	Bend	trans	-87.9	-5.9	171.1	-59.8	180	0	0	0	112.4	T29 Q33 K36 Q70	T29-L61 HydrophobicContact CG2-CD2 3.63Å; Q33-L61 HydrophobicContact CB-CD1 4.3Å; Q33-L61 HydrophobicContact CB-CD2 3.69Å; K36-L61 WeakPolarHBondContact CG-O 3.11Å; L61-Q70 HydrophobicContact CB-CB 4.1Å; L61-Q70 PolarHBondContact N-O 2.93Å
62	T	83.9	Confident	77	Confident	23 Å²	23	59.7 Å²	59.7	14%	0.141	31%	0.308	C	S	.	.	S	Bend	trans	-129.7	167.9	175.7	74.4	0	0	0	0	110.3	F39 S60 N64 D68 Q70	F39-T62 VanDerWaalsContact CB-O 3.29Å; F39-T62 WeakPolarHBondContact CB-O 3.14Å; S60-T62 VanDerWaalsContact C-N 3.33Å; S60-T62 VanDerWaalsContact CB-O 3.32Å; S60-T62 WeakPolarHBondContact CB-O 3Å; S60-T62 PolarHBondContact OG-N 2.91Å; S60-T62 PolarHBondContact OG-O 3.06Å; T62-N64 PolarHBondContact O-N 2.88Å; T62-N64 PolarHBondContact OG1-N 2.86Å; T62-N64 PolarHBondContact OG1-O 3.18Å; T62-D68 WeakPolarHBondContact CB-OD2 3.38Å; T62-D68 HydrophobicContact CG2-CB 3.96Å; T62-D68 WeakPolarHBondContact CG2-OD2 3.33Å; T62-D68 WeakPolarHBondContact OG1-CB 3Å; T62-D68 PolarHBondContact OG1-OD2 3.21Å; T62-Q70 HydrophobicContact CG2-CB 4.24Å
63	H	76	Confident	78.3	Confident	65 Å²	65	59.6 Å²	59.6	30%	0.301	30%	0.299	S	S	.	.	S	Bend	trans	-72.4	-15.9	175	-72.4	-70.9	0	0	0	112.6	F37 P38 F39 R40 D238 L239	F37-H63 PolarHBondContact O-CE1 3.26Å; P38-H63 PolarHBondContact O-ND1 3.36Å; F39-H63 CarbonylContact C-O 3.59Å; F39-H63 VanDerWaalsContact CA-O 3.25Å; F39-H63 WeakPolarHBondContact CA-O 3.43Å; R40-H63 PolarHBondContact N-O 3.46Å; H63-D238 HydrophobicContact CB-CB 4.11Å; H63-L239 HydrophobicContact CB-CD2 4.01Å; H63-L239 WeakPolarHBondContact O-CD2 3.35Å
64	N	73.6	Confident	79.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-129.7	87	-177.7	-168.7	-22.8	0	0	0	111.5	T62 D66 R67 D68 D238 F241	T62-N64 PolarHBondContact O-N 2.88Å; T62-N64 PolarHBondContact OG1-N 2.86Å; T62-N64 PolarHBondContact OG1-O 3.18Å; N64-D66 PolarHBondContact OD1-N 2.91Å; N64-R67 HydrophobicContact CB-CB 4.41Å; N64-R67 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact OD1-N 3.17Å; N64-R67 VanDerWaalsContact OD1-N 3.11Å; N64-D68 WeakPolarHBondContact O-CB 2.97Å; N64-D68 PolarHBondContact O-N 3.15Å; N64-D238 HydrophobicContact CB-CB 4.5Å; N64-D238 PolarHBondContact ND2-O 3.5Å; N64-F241 WeakPolarHBondContact ND2-CB 3.49Å
65	F	77.9	Confident	80.1	Confident	32 Å²	32	55.6 Å²	55.6	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-36.2	178.1	171.7	-91.5	0	0	0	112.4	F39 R40 Q41 W58 R67 D68 R69 W71	F39-F65 HydrophobicContact CD2-CB 3.97Å; F39-F65 HydrophobicContact CE2-CB 4.44Å; R40-F65 VanDerWaalsContact O-CB 3.29Å; R40-F65 WeakPolarHBondContact O-CB 3.42Å; R40-F65 PolarHBondContact O-N 2.93Å; Q41-F65 HydrophobicContact CB-CD1 4.04Å; Q41-F65 HydrophobicContact CG-CD1 3.67Å; Q41-F65 HydrophobicContact CG-CE1 3.94Å; W58-F65 HydrophobicContact CH2-CD1 4.07Å; W58-F65 AromaticContact CH2-CD2 3.92Å; W58-F65 HydrophobicContact CH2-CD2 3.92Å; W58-F65 AromaticContact CH2-CE1 3.91Å; W58-F65 HydrophobicContact CH2-CE1 3.91Å; W58-F65 AromaticContact CH2-CE2 3.75Å; W58-F65 HydrophobicContact CH2-CE2 3.75Å; W58-F65 HydrophobicContact CH2-CG 4.05Å; W58-F65 AromaticContact CH2-CZ 3.74Å; W58-F65 HydrophobicContact CH2-CZ 3.74Å; W58-F65 HydrophobicContact CZ2-CZ 4.5Å; W58-F65 AromaticContact CZ3-CD2 3.68Å; W58-F65 HydrophobicContact CZ3-CD2 3.68Å; W58-F65 AromaticContact CZ3-CE2 3.65Å; W58-F65 HydrophobicContact CZ3-CE2 3.65Å; W58-F65 HydrophobicContact CZ3-CG 4.17Å; W58-F65 HydrophobicContact CZ3-CZ 4.13Å; F65-R67 PolarHBondContact O-N 3.25Å; F65-D68 PolarHBondContact O-N 3.27Å; F65-R69 VanDerWaalsContact O-CA 3.32Å; F65-R69 WeakPolarHBondContact O-CA 3.18Å; F65-R69 PolarHBondContact O-N 3.39Å; F65-W71 HydrophobicContact CD2-CB 4.01Å; F65-W71 HydrophobicContact CE2-CB 3.74Å; F65-W71 AromaticContact CE2-CD1 3.54Å; F65-W71 AromaticContact CE2-CG 3.76Å; F65-W71 HydrophobicContact CE2-CG 3.76Å
66	D	63.7	Low	79.7	Confident	48 Å²	48	58.3 Å²	58.3	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-55.5	-37.7	179.9	-71.2	-24.3	0	0	0	111.8	R40 Q41 G42 G43 N64	R40-D66 WeakPolarHBondContact CG-OD2 3.45Å; R40-D66 IonicContact NE-OD2 3.5Å; R40-D66 PolarHBondContact NE-OD2 3.17Å; R40-D66 PolarHBondContact O-N 3.35Å; Q41-D66 VanDerWaalsContact CA-OD1 3.27Å; Q41-D66 WeakPolarHBondContact CA-OD1 3.22Å; G42-D66 VanDerWaalsContact N-CG 3.27Å; G42-D66 PolarHBondContact N-OD1 2.91Å; G42-D66 PolarHBondContact N-OD2 3.03Å; G43-D66 PolarHBondContact N-OD2 3.33Å; N64-D66 PolarHBondContact OD1-N 2.91Å
67	R	71	Confident	78.4	Confident	81 Å²	81	56.8 Å²	56.8	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-82.9	-58.4	174.6	-176.7	-171.1	72.9	-162	-4.8	112.7	N64 F65 D238 F241	N64-R67 HydrophobicContact CB-CB 4.41Å; N64-R67 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact OD1-N 3.17Å; N64-R67 VanDerWaalsContact OD1-N 3.11Å; F65-R67 PolarHBondContact O-N 3.25Å; R67-D238 IonicContact CZ-OD1 3.09Å; R67-D238 IonicContact NH1-OD1 3.72Å; R67-D238 PolarHBondContact NH1-OD1 3.34Å; R67-D238 IonicContact NH2-OD1 3.91Å; R67-D238 PolarHBondContact NH2-OD1 2.9Å; R67-D238 VanDerWaalsContact NH2-OD1 3.09Å; R67-F241 HydrophobicContact CB-CD1 4.24Å; R67-F241 HydrophobicContact CB-CE1 4.46Å; R67-F241 HydrophobicContact CG-CD1 3.98Å; R67-F241 HydrophobicContact CG-CE1 3.8Å; R67-F241 HydrophobicContact CG-CZ 4.22Å
68	D	81	Confident	76.3	Confident	42 Å²	42	61.4 Å²	61.4	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-82	-25.3	-163.8	-61.7	-35.4	0	0	0	112.6	T62 N64 F65 Q70	T62-D68 WeakPolarHBondContact CB-OD2 3.38Å; T62-D68 HydrophobicContact CG2-CB 3.96Å; T62-D68 WeakPolarHBondContact CG2-OD2 3.33Å; T62-D68 WeakPolarHBondContact OG1-CB 3Å; T62-D68 PolarHBondContact OG1-OD2 3.21Å; N64-D68 WeakPolarHBondContact O-CB 2.97Å; N64-D68 PolarHBondContact O-N 3.15Å; F65-D68 PolarHBondContact O-N 3.27Å; D68-Q70 HydrophobicContact CB-CG 4.3Å; D68-Q70 WeakPolarHBondContact O-CG 3.38Å; D68-Q70 PolarHBondContact O-N 2.95Å
69	R	81.6	Confident	74	Confident	194 Å²	194	64.4 Å²	64.4	73%	0.732	34%	0.34	S	S	*	.			trans	50.3	26.3	-175.4	-57	-173.6	179.8	-176.7	0.5	113.8	F65	F65-R69 VanDerWaalsContact O-CA 3.32Å; F65-R69 WeakPolarHBondContact O-CA 3.18Å; F65-R69 PolarHBondContact O-N 3.39Å
70	Q	86.6	Confident	71.5	Confident	102 Å²	102	68.9 Å²	68.9	48%	0.477	38%	0.377	S	S	.	.			trans	-94.1	123.1	176.2	-64.3	-177.8	41.2	0	0	109.9	S60 L61 T62 D68	S60-Q70 WeakPolarHBondContact CA-O 2.95Å; S60-Q70 PolarHBondContact OG-O 3.12Å; L61-Q70 HydrophobicContact CB-CB 4.1Å; L61-Q70 PolarHBondContact N-O 2.93Å; T62-Q70 HydrophobicContact CG2-CB 4.24Å; D68-Q70 HydrophobicContact CB-CG 4.3Å; D68-Q70 WeakPolarHBondContact O-CG 3.38Å; D68-Q70 PolarHBondContact O-N 2.95Å
71	W	90.1	Very high	69.7	Low	113 Å²	113	74.7 Å²	74.7	43%	0.428	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	164.9	-175.7	66.3	-79.6	0	0	0	111.6	W58 C59 F65 F73	W58-W71 HydrophobicContact CB-CE3 3.82Å; W58-W71 HydrophobicContact CB-CZ3 4.07Å; W58-W71 HydrophobicContact CD2-CE3 4.25Å; W58-W71 HydrophobicContact CE3-CB 3.64Å; W58-W71 HydrophobicContact CE3-CD2 4.38Å; W58-W71 HydrophobicContact CE3-CE3 4.2Å; W58-W71 HydrophobicContact CE3-CG 4.21Å; W58-W71 HydrophobicContact CG-CE3 4.12Å; W58-W71 HydrophobicContact CG-CZ3 4.43Å; W58-W71 HydrophobicContact CZ3-CB 3.78Å; W58-W71 HydrophobicContact CZ3-CG 4.42Å; C59-W71 CarbonylContact O-C 3.55Å; C59-W71 WeakPolarHBondContact O-CA 3.35Å; C59-W71 VanDerWaalsContact O-CB 3.31Å; C59-W71 WeakPolarHBondContact O-CB 3.34Å; F65-W71 HydrophobicContact CD2-CB 4.01Å; F65-W71 HydrophobicContact CE2-CB 3.74Å; F65-W71 AromaticContact CE2-CD1 3.54Å; F65-W71 AromaticContact CE2-CG 3.76Å; F65-W71 HydrophobicContact CE2-CG 3.76Å; W71-F73 HydrophobicContact CH2-CE1 4.09Å; W71-F73 AromaticContact CH2-CE2 3.88Å; W71-F73 HydrophobicContact CH2-CE2 3.88Å; W71-F73 AromaticContact CH2-CZ 3.57Å; W71-F73 HydrophobicContact CH2-CZ 3.57Å; W71-F73 HydrophobicContact CZ3-CD1 4.01Å; W71-F73 HydrophobicContact CZ3-CD2 4.13Å; W71-F73 AromaticContact CZ3-CE1 3.65Å; W71-F73 HydrophobicContact CZ3-CE1 3.65Å; W71-F73 AromaticContact CZ3-CE2 3.8Å; W71-F73 HydrophobicContact CZ3-CE2 3.8Å; W71-F73 HydrophobicContact CZ3-CG 4.23Å; W71-F73 AromaticContact CZ3-CZ 3.55Å; W71-F73 HydrophobicContact CZ3-CZ 3.55Å
72	G	86.1	Confident	67.6	Low	8 Å²	8	84.6 Å²	84.6	8%	0.082	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.1	167.2	0	0	0	0	0	112.3	W58 C59	W58-G72 WeakPolarHBondContact CA-O 3.39Å; W58-G72 WeakPolarHBondContact CB-O 3.41Å; C59-G72 PolarHBondContact N-O 3.36Å; C59-G72 PolarHBondContact O-N 2.82Å
73	F	87.4	Confident	65.7	Low	64 Å²	64	94.7 Å²	94.7	28%	0.281	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.3	175.2	-67.1	-65.8	0	0	0	110	T29 T30 K56 W58 W71 A75	T29-F73 CarbonylContact C-O 3.44Å; T29-F73 VanDerWaalsContact C-O 3.28Å; T29-F73 WeakPolarHBondContact CA-O 3.46Å; T29-F73 WeakPolarHBondContact CB-O 3.41Å; T30-F73 HydrophobicContact CG2-CB 4.05Å; T30-F73 PolarHBondContact N-O 3.24Å; K56-F73 HydrophobicContact CB-CD1 3.56Å; K56-F73 HydrophobicContact CB-CE1 3.75Å; K56-F73 HydrophobicContact CB-CG 4.47Å; K56-F73 HydrophobicContact CD-CD1 4.47Å; W58-F73 HydrophobicContact CB-CD1 4.09Å; W71-F73 HydrophobicContact CH2-CE1 4.09Å; W71-F73 AromaticContact CH2-CE2 3.88Å; W71-F73 HydrophobicContact CH2-CE2 3.88Å; W71-F73 AromaticContact CH2-CZ 3.57Å; W71-F73 HydrophobicContact CH2-CZ 3.57Å; W71-F73 HydrophobicContact CZ3-CD1 4.01Å; W71-F73 HydrophobicContact CZ3-CD2 4.13Å; W71-F73 AromaticContact CZ3-CE1 3.65Å; W71-F73 HydrophobicContact CZ3-CE1 3.65Å; W71-F73 AromaticContact CZ3-CE2 3.8Å; W71-F73 HydrophobicContact CZ3-CE2 3.8Å; W71-F73 HydrophobicContact CZ3-CG 4.23Å; W71-F73 AromaticContact CZ3-CZ 3.55Å; W71-F73 HydrophobicContact CZ3-CZ 3.55Å; F73-A75 PolarHBondContact O-N 3.34Å
74	C	83.1	Confident	64.5	Low	12 Å²	12	100.4 Å²	100.4	8%	0.081	52%	0.515	C	S	.	.	B	Isolated β-bridge	trans	-71.3	131.8	178.5	-62.5	0	0	0	0	110.3	V27 C49 P57 C59 Q76	V27-C74 HydrophobicContact CG1-CB 4.38Å; C49-C74 HydrophobicContact CB-CB 3.87Å; C49-C74 WeakPolarHBondContact CB-SG 3.29Å; C49-C74 WeakPolarHBondContact SG-CB 3.38Å; C49-C74 CovalentContact SG-SG 2.01Å; C49-C74 PolarHBondContact SG-SG 2.83Å; P57-C74 PolarHBondContact O-N 3.13Å; C59-C74 VanDerWaalsContact CB-SG 3.58Å; C74-Q76 PolarHBondContact O-N 3.49Å
75	A	77.2	Confident	63.6	Low	51 Å²	51	105.8 Å²	105.8	42%	0.421	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-65.6	122.7	172.5	0	0	0	0	0	108.8	L28 F73 S77	L28-A75 WeakPolarHBondContact O-CB 3.23Å; L28-A75 PolarHBondContact O-N 2.8Å; F73-A75 PolarHBondContact O-N 3.34Å; A75-S77 PolarHBondContact O-N 2.83Å
76	Q	60.9	Low	62.8	Low	175 Å²	175	107.5 Å²	107.5	82%	0.818	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-58.2	125.6	179.6	-84.5	176.4	-18.9	0	0	110.5	C74 V78	C74-Q76 PolarHBondContact O-N 3.49Å; Q76-V78 PolarHBondContact O-N 2.89Å
77	S	46.4	Very low	63	Low	100 Å²	100	106.8 Å²	106.8	70%	0.699	55%	0.552	S	S	*	*			trans	-77.2	115.4	161.1	53.4	0	0	0	0	108.6	A75 G79	A75-S77 PolarHBondContact O-N 2.83Å; S77-G79 PolarHBondContact O-N 3.45Å
78	V	36	Very low	63	Low	144 Å²	144	104.4 Å²	104.4	87%	0.873	55%	0.547	S	S	*	.			trans	-59.4	125.2	172.6	-177.7	0	0	0	0	110.1	Q76	Q76-V78 PolarHBondContact O-N 2.89Å
79	G	36.3	Very low	62.4	Low	71 Å²	71	111.3 Å²	111.3	73%	0.732	57%	0.57	S	S	*	*			trans	88	105.1	152.4	0	0	0	0	0	118.1	S77	S77-G79 PolarHBondContact O-N 3.45Å
80	A	31.7	Very low	61.4	Low	93 Å²	93	112.1 Å²	112.1	77%	0.769	57%	0.573	S	S	*	*				178.4	111.1	115	0	0	0	0	0	110.8	R82	A80-R82 PolarHBondContact O-N 3.45Å
81	S	46.3	Very low	60.7	Low	122 Å²	122	117.4 Å²	117.4	85%	0.853	59%	0.588	S	S	*	*			trans	-66.9	117	149.7	169	0	0	0	0	107.3
82	R	42.1	Very low	59.9	Low	237 Å²	237	115.9 Å²	115.9	89%	0.894	59%	0.589	S	S	*	*			trans	-162.7	140.8	159.3	-106.2	162.9	-164.5	-159.7	4.1	109.9	A80	A80-R82 PolarHBondContact O-N 3.45Å
83	R	44.3	Very low	59.8	Low	234 Å²	234	117.3 Å²	117.3	88%	0.883	60%	0.596	S	S	*	*			trans	-34.4	138.9	-178.4	-71.3	172.3	172.4	175.5	-3.5	113.7	I85	R83-I85 PolarHBondContact O-N 2.86Å
84	E	51.9	Low	59.5	Low	185 Å²	185	114.7 Å²	114.7	86%	0.864	59%	0.586	S	S	*	*			trans	-50.9	96.5	174.7	-71.4	-179.5	145.2	0	0	111.8
85	I	54.8	Low	59.7	Low	113 Å²	113	119 Å²	119	58%	0.579	61%	0.605	S	S	*	*			trans	-106.8	113.3	162.4	-60.3	173.7	0	0	0	105.3	R83 P87	R83-I85 PolarHBondContact O-N 2.86Å; I85-P87 WeakPolarHBondContact O-CD 3.25Å; I85-P87 VanDerWaalsContact O-N 3.16Å
86	D	61	Low	60.1	Low	68 Å²	68	120.2 Å²	120.2	36%	0.364	60%	0.604	S	S	.	*			trans	-60.2	111.5	168.3	177	-14.9	0	0	0	108.4	C88 R89 A102	D86-C88 PolarHBondContact O-N 3.25Å; D86-C88 WeakPolarHBondContact OD1-CB 3.4Å; D86-C88 PolarHBondContact OD1-N 2.53Å; D86-R89 HydrophobicContact CB-CB 3.71Å; D86-R89 WeakPolarHBondContact O-CB 3.29Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.13Å; D86-R89 PolarHBondContact OD1-N 3.12Å; D86-A102 WeakPolarHBondContact OD1-CB 3.39Å
87	P	66.6	Low	60.8	Low	34 Å²	34	114.9 Å²	114.9	22%	0.221	60%	0.596	C	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-17.8	-174.7	-16.5	30.6	0	0	0	113.2	I85 G107 F109	I85-P87 WeakPolarHBondContact O-CD 3.25Å; I85-P87 VanDerWaalsContact O-N 3.16Å; P87-G107 WeakPolarHBondContact CG-O 3.45Å; P87-F109 HydrophobicContact CB-CB 4.18Å; P87-F109 HydrophobicContact CB-CD1 3.65Å; P87-F109 HydrophobicContact CB-CE1 4.47Å; P87-F109 HydrophobicContact CB-CG 4.28Å; P87-F109 HydrophobicContact CG-CB 4.42Å; P87-F109 HydrophobicContact CG-CD1 4.24Å
88	C	71.6	Confident	62.2	Low	30 Å²	30	110.2 Å²	110.2	20%	0.203	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.9	-12.3	178.8	-55.3	0	0	0	0	112.4	D86 C100 A102	D86-C88 PolarHBondContact O-N 3.25Å; D86-C88 WeakPolarHBondContact OD1-CB 3.4Å; D86-C88 PolarHBondContact OD1-N 2.53Å; C88-C100 HydrophobicContact CB-CB 3.76Å; C88-C100 WeakPolarHBondContact CB-SG 3.47Å; C88-C100 WeakPolarHBondContact SG-CB 3.4Å; C88-C100 CovalentContact SG-SG 2.03Å; C88-C100 PolarHBondContact SG-SG 3.36Å; C88-A102 HydrophobicContact CB-CB 4.39Å; C88-A102 PolarHBondContact SG-N 2.72Å
89	R	68.5	Low	64	Low	188 Å²	188	107.8 Å²	107.8	71%	0.709	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-33.4	-169.1	-173.1	174.1	179.1	-176.1	-0.1	114.6	D86	D86-R89 HydrophobicContact CB-CB 3.71Å; D86-R89 WeakPolarHBondContact O-CB 3.29Å; D86-R89 PolarHBondContact O-N 3.11Å; D86-R89 VanDerWaalsContact O-N 3.13Å; D86-R89 PolarHBondContact OD1-N 3.12Å
90	W	60.2	Low	65.9	Low	211 Å²	211	105.4 Å²	105.4	80%	0.799	52%	0.521	S	S	*	.	S	Bend	trans	-99.7	-30.7	-175.3	-64.5	104.1	0	0	0	113.5
91	R	72.3	Confident	67.7	Low	213 Å²	213	104.6 Å²	104.6	80%	0.804	51%	0.507	S	S	*	.	S	Bend	trans	-157.5	133.6	174	-166.9	174.7	-172.1	-158.8	1.5	108	P93	R91-P93 WeakPolarHBondContact O-CD 3.48Å
92	N	73.1	Confident	68.6	Low	81 Å²	81	100.4 Å²	100.4	43%	0.433	48%	0.48	S	S	.	.			trans	-67.3	113.5	173.7	-177	-4.1	0	0	0	109	C94 G98 C100	N92-C94 PolarHBondContact O-N 2.89Å; N92-C94 VanDerWaalsContact OD1-CB 3.22Å; N92-C94 WeakPolarHBondContact OD1-CB 3.21Å; N92-C94 PolarHBondContact OD1-N 2.87Å; N92-G98 PolarHBondContact ND2-O 3.49Å; N92-C100 WeakPolarHBondContact OD1-CB 3.33Å
93	P	83.2	Confident	69.5	Low	37 Å²	37	90.2 Å²	90.2	24%	0.24	44%	0.443	C	S	.	.			trans	-79.8	-6.4	179.9	36.5	-39.3	0	0	0	113.3	R91 C100 F109	R91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-C100 WeakPolarHBondContact CD-SG 3.32Å; P93-C100 HydrophobicContact CG-CB 4.35Å; P93-C100 WeakPolarHBondContact CG-SG 3.12Å; P93-F109 HydrophobicContact CB-CD1 4.42Å; P93-F109 HydrophobicContact CB-CD2 4.15Å; P93-F109 HydrophobicContact CB-CE1 3.81Å; P93-F109 HydrophobicContact CB-CE2 3.51Å; P93-F109 HydrophobicContact CB-CZ 3.28Å; P93-F109 HydrophobicContact CG-CD1 3.85Å; P93-F109 HydrophobicContact CG-CD2 3.31Å; P93-F109 HydrophobicContact CG-CE1 3.74Å; P93-F109 HydrophobicContact CG-CE2 3.2Å; P93-F109 HydrophobicContact CG-CG 3.63Å; P93-F109 HydrophobicContact CG-CZ 3.39Å
94	C	82.8	Confident	69.5	Low	9 Å²	9	83.2 Å²	83.2	6%	0.061	43%	0.428	C	S	.	.			trans	-82.6	124.4	173.3	-50.2	0	0	0	0	109.4	N92 G98 C100 C111	N92-C94 PolarHBondContact O-N 2.89Å; N92-C94 VanDerWaalsContact OD1-CB 3.22Å; N92-C94 WeakPolarHBondContact OD1-CB 3.21Å; N92-C94 PolarHBondContact OD1-N 2.87Å; C94-G98 WeakPolarHBondContact CB-O 3.49Å; C94-C100 WeakPolarHBondContact SG-CA 3.36Å; C94-C100 VanDerWaalsContact SG-CB 3.57Å; C94-C111 WeakPolarHBondContact CA-SG 3.01Å; C94-C111 HydrophobicContact CB-CB 3.71Å; C94-C111 WeakPolarHBondContact CB-SG 3.32Å; C94-C111 WeakPolarHBondContact SG-CA 3.04Å; C94-C111 WeakPolarHBondContact SG-CB 3.27Å; C94-C111 CovalentContact SG-SG 2.02Å; C94-C111 PolarHBondContact SG-SG 2.01Å
95	Q	85.6	Confident	69.1	Low	102 Å²	102	83 Å²	83	48%	0.477	43%	0.427	S	S	.	.			trans	-80.2	170.3	177.6	-55.2	-176.6	15.9	0	0	110.8	G97 G98 H121 C122	Q95-G97 PolarHBondContact O-N 2.94Å; Q95-G98 PolarHBondContact O-N 3.47Å; Q95-H121 WeakPolarHBondContact CA-O 2.98Å; Q95-H121 WeakPolarHBondContact CB-O 3.3Å; Q95-H121 HydrophobicContact CG-CB 4.38Å; Q95-H121 PolarHBondContact N-O 2.01Å; Q95-C122 WeakPolarHBondContact O-CB 3.26Å
96	N	85.8	Confident	69.1	Low	77 Å²	77	81.9 Å²	81.9	41%	0.412	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	33.1	168.8	-60	-48.8	0	0	0	115.1	P114 F117 C122	N96-P114 WeakPolarHBondContact O-CG 3.37Å; N96-F117 HydrophobicContact CB-CD1 3.81Å; N96-F117 HydrophobicContact CB-CD2 3.64Å; N96-F117 HydrophobicContact CB-CE1 3.76Å; N96-F117 HydrophobicContact CB-CE2 3.6Å; N96-F117 HydrophobicContact CB-CG 3.75Å; N96-F117 HydrophobicContact CB-CZ 3.66Å; N96-F117 VanDerWaalsContact CG-CE1 3.42Å; N96-F117 WeakPolarHBondContact ND2-CD1 3.41Å; N96-F117 WeakPolarHBondContact ND2-CE1 3.35Å; N96-C122 PolarHBondContact ND2-O 3.23Å
97	G	75.8	Confident	69	Low	63 Å²	63	81.1 Å²	81.1	65%	0.649	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	16.4	-179.9	0	0	0	0	0	114.6	Q95	Q95-G97 PolarHBondContact O-N 2.94Å
98	G	76.3	Confident	69	Low	2 Å²	2	81.3 Å²	81.3	2%	0.021	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.2	170.6	0	0	0	0	0	112.5	N92 C94 Q95 S112	N92-G98 PolarHBondContact ND2-O 3.49Å; C94-G98 WeakPolarHBondContact CB-O 3.49Å; Q95-G98 PolarHBondContact O-N 3.47Å; G98-S112 WeakPolarHBondContact CA-O 3.21Å
99	V	74.9	Confident	69	Low	93 Å²	93	81.6 Å²	81.6	56%	0.564	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	178.1	-178.8	0	0	0	0	109	C111 S112	V99-C111 WeakPolarHBondContact O-CA 3.01Å; V99-S112 PolarHBondContact N-O 2.9Å; V99-S112 PolarHBondContact O-N 2.73Å
100	C	74.7	Confident	69.4	Low	22 Å²	22	75 Å²	75	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.8	176.9	-171	0	0	0	0	111.3	C88 N92 P93 C94 F109	C88-C100 HydrophobicContact CB-CB 3.76Å; C88-C100 WeakPolarHBondContact CB-SG 3.47Å; C88-C100 WeakPolarHBondContact SG-CB 3.4Å; C88-C100 CovalentContact SG-SG 2.03Å; C88-C100 PolarHBondContact SG-SG 3.36Å; N92-C100 WeakPolarHBondContact OD1-CB 3.33Å; P93-C100 WeakPolarHBondContact CD-SG 3.32Å; P93-C100 HydrophobicContact CG-CB 4.35Å; P93-C100 WeakPolarHBondContact CG-SG 3.12Å; C94-C100 WeakPolarHBondContact SG-CA 3.36Å; C94-C100 VanDerWaalsContact SG-CB 3.57Å; C100-F109 VanDerWaalsContact SG-CB 3.58Å
101	T	70.6	Confident	70.1	Confident	75 Å²	75	65.3 Å²	65.3	46%	0.46	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.9	171.3	-36.9	0	0	0	0	108.6	F109 H110	T101-F109 WeakPolarHBondContact O-CA 3.2Å; T101-H110 PolarHBondContact N-O 2.97Å; T101-H110 PolarHBondContact O-N 2.77Å
102	A	65.8	Low	70	Confident	35 Å²	35	57.9 Å²	57.9	29%	0.289	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	139.3	178.9	0	0	0	0	0	109.7	D86 C88 P104	D86-A102 WeakPolarHBondContact OD1-CB 3.39Å; C88-A102 HydrophobicContact CB-CB 4.39Å; C88-A102 PolarHBondContact SG-N 2.72Å; A102-P104 WeakPolarHBondContact O-CD 3.32Å
103	I	59.3	Low	70.3	Confident	23 Å²	23	56 Å²	56	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.9	177.6	-59.3	173.5	0	0	0	107.7	T106 S108 H110	I103-T106 HydrophobicContact CG2-CG2 4.35Å; I103-T106 WeakPolarHBondContact CG2-OG1 3.21Å; I103-T106 PolarHBondContact O-OG1 3.27Å; I103-S108 WeakPolarHBondContact CB-O 2.98Å; I103-S108 PolarHBondContact N-O 2.86Å; I103-H110 HydrophobicContact CD1-CB 4.46Å
104	P	44.5	Very low	70.1	Confident	87 Å²	87	55.7 Å²	55.7	57%	0.565	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	143.6	178.5	-22.2	32.9	0	0	0	110.9	A102 T106	A102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-T106 VanDerWaalsContact C-N 3.32Å; P104-T106 PolarHBondContact O-N 3.38Å
105	Q	44.6	Very low	70	Confident	181 Å²	181	58.8 Å²	58.8	85%	0.846	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-14.4	175.7	-51.9	173	-13.2	0	0	117.9
106	T	54.5	Low	70.1	Confident	89 Å²	89	57.6 Å²	57.6	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-11.6	179.9	60.9	0	0	0	0	114.2	I103 P104 S108	I103-T106 HydrophobicContact CG2-CG2 4.35Å; I103-T106 WeakPolarHBondContact CG2-OG1 3.21Å; I103-T106 PolarHBondContact O-OG1 3.27Å; P104-T106 VanDerWaalsContact C-N 3.32Å; P104-T106 PolarHBondContact O-N 3.38Å; T106-S108 PolarHBondContact O-N 3.46Å; T106-S108 WeakPolarHBondContact OG1-CB 3.34Å; T106-S108 PolarHBondContact OG1-N 2.9Å
107	G	58.2	Low	70.2	Confident	51 Å²	51	56.1 Å²	56.1	53%	0.526	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	18.8	-169.6	0	0	0	0	0	113.1	P87	P87-G107 WeakPolarHBondContact CG-O 3.45Å
108	S	66.4	Low	70.6	Confident	38 Å²	38	55 Å²	55	27%	0.266	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	171.3	-179.1	-169.6	0	0	0	0	111.1	I103 T106	I103-S108 WeakPolarHBondContact CB-O 2.98Å; I103-S108 PolarHBondContact N-O 2.86Å; T106-S108 PolarHBondContact O-N 3.46Å; T106-S108 WeakPolarHBondContact OG1-CB 3.34Å; T106-S108 PolarHBondContact OG1-N 2.9Å
109	F	72.8	Confident	70.7	Confident	36 Å²	36	56.1 Å²	56.1	16%	0.158	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.7	-179	63.9	-88	0	0	0	111.7	P87 P93 C100 T101 H121	P87-F109 HydrophobicContact CB-CB 4.18Å; P87-F109 HydrophobicContact CB-CD1 3.65Å; P87-F109 HydrophobicContact CB-CE1 4.47Å; P87-F109 HydrophobicContact CB-CG 4.28Å; P87-F109 HydrophobicContact CG-CB 4.42Å; P87-F109 HydrophobicContact CG-CD1 4.24Å; P93-F109 HydrophobicContact CB-CD1 4.42Å; P93-F109 HydrophobicContact CB-CD2 4.15Å; P93-F109 HydrophobicContact CB-CE1 3.81Å; P93-F109 HydrophobicContact CB-CE2 3.51Å; P93-F109 HydrophobicContact CB-CZ 3.28Å; P93-F109 HydrophobicContact CG-CD1 3.85Å; P93-F109 HydrophobicContact CG-CD2 3.31Å; P93-F109 HydrophobicContact CG-CE1 3.74Å; P93-F109 HydrophobicContact CG-CE2 3.2Å; P93-F109 HydrophobicContact CG-CG 3.63Å; P93-F109 HydrophobicContact CG-CZ 3.39Å; C100-F109 VanDerWaalsContact SG-CB 3.58Å; T101-F109 WeakPolarHBondContact O-CA 3.2Å; F109-H121 AromaticContact CE2-CE1 3.54Å; F109-H121 AromaticContact CE2-ND1 3.29Å; F109-H121 VanDerWaalsContact CE2-ND1 3.29Å; F109-H121 WeakPolarHBondContact CE2-ND1 3.27Å; F109-H121 AromaticContact CZ-CE1 3.19Å; F109-H121 WeakPolarHBondContact CZ-CE1 3Å; F109-H121 AromaticContact CZ-ND1 3.33Å; F109-H121 VanDerWaalsContact CZ-ND1 3.33Å; F109-H121 WeakPolarHBondContact CZ-ND1 3.22Å
110	H	75.2	Confident	70.8	Confident	49 Å²	49	57.5 Å²	57.5	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.3	173.1	177.2	-85.9	0	0	0	110.1	H47 T101 I103	H47-H110 AromaticContact CD2-CE1 3.73Å; H47-H110 AromaticContact CD2-ND1 3.95Å; H47-H110 AromaticContact CD2-NE2 3.76Å; T101-H110 PolarHBondContact N-O 2.97Å; T101-H110 PolarHBondContact O-N 2.77Å; I103-H110 HydrophobicContact CD1-CB 4.46Å
111	C	75.2	Confident	71.1	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.5	175.6	-65.7	0	0	0	0	111.3	C94 V99 C113 R120	C94-C111 WeakPolarHBondContact CA-SG 3.01Å; C94-C111 HydrophobicContact CB-CB 3.71Å; C94-C111 WeakPolarHBondContact CB-SG 3.32Å; C94-C111 WeakPolarHBondContact SG-CA 3.04Å; C94-C111 WeakPolarHBondContact SG-CB 3.27Å; C94-C111 CovalentContact SG-SG 2.02Å; C94-C111 PolarHBondContact SG-SG 2.01Å; V99-C111 WeakPolarHBondContact O-CA 3.01Å; C111-C113 PolarHBondContact O-N 3.37Å; C111-R120 WeakPolarHBondContact CB-O 3.41Å; C111-R120 PolarHBondContact SG-O 2.86Å
112	S	70.4	Confident	71.8	Confident	56 Å²	56	54.7 Å²	54.7	39%	0.392	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.9	167.1	-65.3	0	0	0	0	108.8	G98 V99	G98-S112 WeakPolarHBondContact CA-O 3.21Å; V99-S112 PolarHBondContact N-O 2.9Å; V99-S112 PolarHBondContact O-N 2.73Å
113	C	79.3	Confident	72.9	Confident	42 Å²	42	56.3 Å²	56.3	28%	0.284	32%	0.315	S	S	.	.			trans	-85.5	144.1	-172.2	-56.9	0	0	0	0	113.6	C111 F117 C122	C111-C113 PolarHBondContact O-N 3.37Å; C113-F117 WeakPolarHBondContact CB-O 3.22Å; C113-C122 WeakPolarHBondContact CA-SG 2.99Å; C113-C122 HydrophobicContact CB-CB 3.65Å; C113-C122 WeakPolarHBondContact CB-SG 3.36Å; C113-C122 WeakPolarHBondContact SG-CA 3.34Å; C113-C122 WeakPolarHBondContact SG-CB 3.11Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 2.04Å
114	P	79.9	Confident	74.4	Confident	30 Å²	30	59 Å²	59	20%	0.195	33%	0.327	C	S	.	.			trans	-60.6	155.2	165.7	-21.3	35.3	0	0	0	110.8	N96 N116 F117	N96-P114 WeakPolarHBondContact O-CG 3.37Å; P114-N116 PolarHBondContact O-N 3.12Å; P114-F117 HydrophobicContact CB-CD2 4.39Å; P114-F117 PolarHBondContact O-N 3.44Å
115	E	80.3	Confident	76.6	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.7	-173.8	-86	173.6	-147.1	0	0	114.9	F117 K126 R231	E115-F117 PolarHBondContact O-N 2.84Å; E115-K126 VanDerWaalsContact O-CD 3.31Å; E115-K126 WeakPolarHBondContact O-CD 3.31Å; E115-R231 VanDerWaalsContact CG-NH2 3.26Å; E115-R231 IonicContact OE1-CZ 3.64Å; E115-R231 IonicContact OE1-NE 3.72Å; E115-R231 IonicContact OE1-NH2 2.72Å; E115-R231 PolarHBondContact OE1-NH2 3.39Å; E115-R231 IonicContact OE2-NH2 3.61Å
116	N	87	Confident	78.9	Confident	78 Å²	78	54.1 Å²	54.1	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.1	-177.9	-50.8	26.9	0	0	0	112.3	P114 K126 H135	P114-N116 PolarHBondContact O-N 3.12Å; N116-K126 PolarHBondContact O-N 2.02Å; N116-H135 VanDerWaalsContact CG-NE2 3.33Å; N116-H135 PolarHBondContact OD1-CE1 2.72Å; N116-H135 PolarHBondContact OD1-NE2 2.77Å
117	F	88.4	Confident	80.8	Confident	45 Å²	45	50 Å²	50	20%	0.197	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.2	-174.1	-62.4	-80.7	0	0	0	112.2	N96 C113 P114 E115 C122 Q124 K125 K126	N96-F117 HydrophobicContact CB-CD1 3.81Å; N96-F117 HydrophobicContact CB-CD2 3.64Å; N96-F117 HydrophobicContact CB-CE1 3.76Å; N96-F117 HydrophobicContact CB-CE2 3.6Å; N96-F117 HydrophobicContact CB-CG 3.75Å; N96-F117 HydrophobicContact CB-CZ 3.66Å; N96-F117 VanDerWaalsContact CG-CE1 3.42Å; N96-F117 WeakPolarHBondContact ND2-CD1 3.41Å; N96-F117 WeakPolarHBondContact ND2-CE1 3.35Å; C113-F117 WeakPolarHBondContact CB-O 3.22Å; P114-F117 HydrophobicContact CB-CD2 4.39Å; P114-F117 PolarHBondContact O-N 3.44Å; E115-F117 PolarHBondContact O-N 2.84Å; F117-C122 HydrophobicContact CB-CB 4.11Å; F117-Q124 CarbonylContact C-O 3.32Å; F117-Q124 WeakPolarHBondContact CA-O 3.39Å; F117-K125 HydrophobicContact CD1-CB 4.36Å; F117-K125 HydrophobicContact CE1-CB 4.2Å; F117-K125 HydrophobicContact CE1-CG 4.3Å; F117-K126 VanDerWaalsContact O-CE 3.27Å; F117-K126 WeakPolarHBondContact O-CE 3.02Å
118	T	83.9	Confident	82.5	Confident	40 Å²	40	52.9 Å²	52.9	25%	0.245	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-174.1	175.1	-164.4	0	0	0	0	109.2	C122 E123 Q124 K126	T118-C122 CarbonylContact O-C 3.55Å; T118-C122 VanDerWaalsContact O-CA 3.25Å; T118-C122 WeakPolarHBondContact O-CA 3.01Å; T118-E123 PolarHBondContact O-N 3.44Å; T118-Q124 HydrophobicContact CG2-CB 3.69Å; T118-Q124 PolarHBondContact N-O 3.4Å; T118-Q124 WeakPolarHBondContact O-CB 3.47Å; T118-Q124 PolarHBondContact O-N 2.84Å; T118-K126 HydrophobicContact CG2-CG 4.12Å
119	G	78.5	Confident	83.7	Confident	25 Å²	25	51.7 Å²	51.7	26%	0.258	25%	0.254	S	S	.	.	S	Bend	trans	91.5	174.2	-174.7	0	0	0	0	0	112.1	H121 C122	G119-H121 VanDerWaalsContact C-N 3.28Å; G119-H121 PolarHBondContact O-N 2.78Å; G119-C122 PolarHBondContact O-N 2.86Å
120	R	76.9	Confident	84.5	Confident	122 Å²	122	53.1 Å²	53.1	46%	0.46	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.9	-169.6	-178.9	-179.4	177.7	-165.5	0.7	112.5	C111 E123	C111-R120 WeakPolarHBondContact CB-O 3.41Å; C111-R120 PolarHBondContact SG-O 2.86Å; R120-E123 PolarHBondContact N-OE1 3.18Å; R120-E123 PolarHBondContact N-OE2 3.1Å
121	H	81.4	Confident	85.1	Confident	39 Å²	39	52.9 Å²	52.9	18%	0.181	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14.6	-178.2	-54.5	-66.9	0	0	0	111.1	Q95 F109 G119 E123	Q95-H121 WeakPolarHBondContact CA-O 2.98Å; Q95-H121 WeakPolarHBondContact CB-O 3.3Å; Q95-H121 HydrophobicContact CG-CB 4.38Å; Q95-H121 PolarHBondContact N-O 2.01Å; F109-H121 AromaticContact CE2-CE1 3.54Å; F109-H121 AromaticContact CE2-ND1 3.29Å; F109-H121 VanDerWaalsContact CE2-ND1 3.29Å; F109-H121 WeakPolarHBondContact CE2-ND1 3.27Å; F109-H121 AromaticContact CZ-CE1 3.19Å; F109-H121 WeakPolarHBondContact CZ-CE1 3Å; F109-H121 AromaticContact CZ-ND1 3.33Å; F109-H121 VanDerWaalsContact CZ-ND1 3.33Å; F109-H121 WeakPolarHBondContact CZ-ND1 3.22Å; G119-H121 VanDerWaalsContact C-N 3.28Å; G119-H121 PolarHBondContact O-N 2.78Å; H121-E123 VanDerWaalsContact C-OE2 3.24Å; H121-E123 VanDerWaalsContact CA-OE2 3.23Å; H121-E123 WeakPolarHBondContact CA-OE2 3.28Å; H121-E123 WeakPolarHBondContact CB-OE2 3.31Å; H121-E123 PolarHBondContact N-OE2 3.31Å; H121-E123 PolarHBondContact O-N 3.35Å
122	C	85.6	Confident	85.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	60.6	28.8	-173.3	-43.4	0	0	0	0	113.2	Q95 N96 C113 F117 T118 G119	Q95-C122 WeakPolarHBondContact O-CB 3.26Å; N96-C122 PolarHBondContact ND2-O 3.23Å; C113-C122 WeakPolarHBondContact CA-SG 2.99Å; C113-C122 HydrophobicContact CB-CB 3.65Å; C113-C122 WeakPolarHBondContact CB-SG 3.36Å; C113-C122 WeakPolarHBondContact SG-CA 3.34Å; C113-C122 WeakPolarHBondContact SG-CB 3.11Å; C113-C122 CovalentContact SG-SG 2.04Å; C113-C122 PolarHBondContact SG-SG 2.04Å; F117-C122 HydrophobicContact CB-CB 4.11Å; T118-C122 CarbonylContact O-C 3.55Å; T118-C122 VanDerWaalsContact O-CA 3.25Å; T118-C122 WeakPolarHBondContact O-CA 3.01Å; G119-C122 PolarHBondContact O-N 2.86Å
123	E	88.8	Confident	86.7	Confident	69 Å²	69	51.7 Å²	51.7	32%	0.322	27%	0.265	S	S	.	.			trans	-80.4	-22.8	-177.1	73.1	-73.1	178.6	0	0	112.8	T118 R120 H121	T118-E123 PolarHBondContact O-N 3.44Å; R120-E123 PolarHBondContact N-OE1 3.18Å; R120-E123 PolarHBondContact N-OE2 3.1Å; H121-E123 VanDerWaalsContact C-OE2 3.24Å; H121-E123 VanDerWaalsContact CA-OE2 3.23Å; H121-E123 WeakPolarHBondContact CA-OE2 3.28Å; H121-E123 WeakPolarHBondContact CB-OE2 3.31Å; H121-E123 PolarHBondContact N-OE2 3.31Å; H121-E123 PolarHBondContact O-N 3.35Å
124	Q	89.4	Confident	87.1	Confident	80 Å²	80	52.4 Å²	52.4	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.7	-173.7	-62	179.5	2.1	0	0	110.6	F117 T118 I138	F117-Q124 CarbonylContact C-O 3.32Å; F117-Q124 WeakPolarHBondContact CA-O 3.39Å; T118-Q124 HydrophobicContact CG2-CB 3.69Å; T118-Q124 PolarHBondContact N-O 3.4Å; T118-Q124 WeakPolarHBondContact O-CB 3.47Å; T118-Q124 PolarHBondContact O-N 2.84Å; Q124-I138 HydrophobicContact CB-CD1 3.75Å; Q124-I138 HydrophobicContact CG-CD1 4.2Å
125	K	92.2	Very high	87.6	Confident	124 Å²	124	52.9 Å²	52.9	54%	0.539	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.2	177.1	-171.6	179.9	176.2	-170.9	0	110.6	F117 G158	F117-K125 HydrophobicContact CD1-CB 4.36Å; F117-K125 HydrophobicContact CE1-CB 4.2Å; F117-K125 HydrophobicContact CE1-CG 4.3Å; K125-G158 WeakPolarHBondContact O-CA 3.15Å; K125-G158 PolarHBondContact O-N 3.02Å
126	K	92.1	Very high	88	Confident	41 Å²	41	49.7 Å²	49.7	18%	0.178	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-86.6	157.7	171.6	-65	-163.3	-163.2	174.4	0	111.2	E115 N116 F117 T118 H135 Y136 N137	E115-K126 VanDerWaalsContact O-CD 3.31Å; E115-K126 WeakPolarHBondContact O-CD 3.31Å; N116-K126 PolarHBondContact O-N 2.02Å; F117-K126 VanDerWaalsContact O-CE 3.27Å; F117-K126 WeakPolarHBondContact O-CE 3.02Å; T118-K126 HydrophobicContact CG2-CG 4.12Å; K126-H135 HydrophobicContact CB-CB 4.01Å; K126-H135 HydrophobicContact CD-CB 3.96Å; K126-Y136 VanDerWaalsContact CB-O 3.28Å; K126-Y136 WeakPolarHBondContact CB-O 3.38Å; K126-N137 WeakPolarHBondContact CD-OD1 3.45Å; K126-N137 WeakPolarHBondContact CE-OD1 3.34Å; K126-N137 PolarHBondContact NZ-OD1 3Å
127	C	94.9	Very high	88.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	129	176.4	-58.3	0	0	0	0	110.8	H135 Y136 W142 C155 G158 E159 V160	C127-H135 CarbonylContact O-C 3.28Å; C127-H135 VanDerWaalsContact O-CA 3.31Å; C127-H135 WeakPolarHBondContact O-CA 3.2Å; C127-Y136 PolarHBondContact N-O 3.25Å; C127-Y136 VanDerWaalsContact N-O 3.1Å; C127-Y136 PolarHBondContact O-N 3.25Å; C127-W142 HydrophobicContact CB-CH2 3.99Å; C127-C155 HydrophobicContact CB-CB 3.61Å; C127-C155 WeakPolarHBondContact CB-SG 3.33Å; C127-C155 PolarHBondContact N-SG 3.02Å; C127-C155 WeakPolarHBondContact SG-CA 3.49Å; C127-C155 WeakPolarHBondContact SG-CB 3.27Å; C127-C155 CovalentContact SG-SG 2.04Å; C127-C155 PolarHBondContact SG-SG 2.76Å; C127-G158 VanDerWaalsContact SG-CA 3.58Å; C127-E159 VanDerWaalsContact SG-C 3.58Å; C127-E159 PolarHBondContact SG-O 3.48Å; C127-V160 HydrophobicContact CB-CG2 3.69Å
128	Y	93.2	Very high	88.1	Confident	113 Å²	113	49.7 Å²	49.7	44%	0.443	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.5	176.3	-177.7	-110.2	0	0	0	110.7	A130 L133 R134 H135	Y128-A130 HydrophobicContact CE1-CB 4.21Å; Y128-L133 WeakPolarHBondContact OH-CD2 3.32Å; Y128-R134 WeakPolarHBondContact CD2-O 3.5Å; Y128-H135 AromaticContact CD2-CD2 3.85Å; Y128-H135 AromaticContact CD2-CE1 3.67Å; Y128-H135 AromaticContact CD2-NE2 3.55Å; Y128-H135 AromaticContact CG-NE2 3.99Å
129	E	92.3	Very high	88.4	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.7	173.2	175.3	51.5	-111.4	0	0	109.5	S131 H132 L133 R134 Y136 W142 R144	E129-S131 VanDerWaalsContact C-N 3.32Å; E129-S131 WeakPolarHBondContact CG-OG 3.4Å; E129-S131 PolarHBondContact O-N 2.99Å; E129-S131 WeakPolarHBondContact OE1-CB 3.32Å; E129-S131 PolarHBondContact OE1-N 3.17Å; E129-S131 PolarHBondContact OE1-OG 2.95Å; E129-H132 HydrophobicContact CB-CB 4.28Å; E129-H132 HydrophobicContact CG-CB 3.89Å; E129-H132 PolarHBondContact O-N 3.15Å; E129-L133 PolarHBondContact O-N 2.73Å; E129-R134 PolarHBondContact N-O 2.71Å; E129-Y136 HydrophobicContact CB-CD2 4.06Å; E129-Y136 HydrophobicContact CB-CE2 3.7Å; E129-Y136 HydrophobicContact CG-CE2 4.38Å; E129-W142 HydrophobicContact CB-CZ2 4.37Å; E129-W142 PolarHBondContact OE2-NE1 3.01Å; E129-R144 WeakPolarHBondContact OE2-CD 3.44Å; E129-R144 IonicContact OE2-NH1 3.93Å; E129-R144 PolarHBondContact OE2-NH1 3.01Å
130	A	89.8	Confident	88.9	Confident	66 Å²	66	52.4 Å²	52.4	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-34.9	-174.5	0	0	0	0	0	112.9	Y128 H132 L133	Y128-A130 HydrophobicContact CE1-CB 4.21Å; A130-H132 VanDerWaalsContact C-N 3.33Å; A130-H132 PolarHBondContact O-N 3.34Å; A130-L133 WeakPolarHBondContact O-CD2 3.27Å
131	S	87.8	Confident	89.7	Confident	44 Å²	44	48.3 Å²	48.3	31%	0.308	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.5	178.5	59.1	0	0	0	0	112.4	E129 G200	E129-S131 VanDerWaalsContact C-N 3.32Å; E129-S131 WeakPolarHBondContact CG-OG 3.4Å; E129-S131 PolarHBondContact O-N 2.99Å; E129-S131 WeakPolarHBondContact OE1-CB 3.32Å; E129-S131 PolarHBondContact OE1-N 3.17Å; E129-S131 PolarHBondContact OE1-OG 2.95Å; S131-G200 PolarHBondContact O-N 2.9Å
132	H	89.4	Confident	90.2	Very high	14 Å²	14	47 Å²	47	7%	0.065	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-13.4	-179.7	-64.3	172.1	0	0	0	113.8	E129 A130 R134 Y136 W142 G143 P201	E129-H132 HydrophobicContact CB-CB 4.28Å; E129-H132 HydrophobicContact CG-CB 3.89Å; E129-H132 PolarHBondContact O-N 3.15Å; A130-H132 VanDerWaalsContact C-N 3.33Å; A130-H132 PolarHBondContact O-N 3.34Å; H132-R134 HydrophobicContact CB-CG 4.15Å; H132-R134 PolarHBondContact O-N 3.13Å; H132-Y136 AromaticContact ND1-CZ 3.79Å; H132-Y136 PolarHBondContact ND1-OH 3.32Å; H132-W142 AromaticContact CE1-CD1 3.89Å; H132-W142 AromaticContact ND1-CD1 3.93Å; H132-G143 PolarHBondContact CE1-O 2.95Å; H132-P201 HydrophobicContact CB-CG 4.19Å
133	L	89.8	Confident	90.5	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.136	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	39.9	-178.9	-54.6	162.9	0	0	0	112.2	Y128 E129 A130 L205 P207 I222 F262	Y128-L133 WeakPolarHBondContact OH-CD2 3.32Å; E129-L133 PolarHBondContact O-N 2.73Å; A130-L133 WeakPolarHBondContact O-CD2 3.27Å; L133-L205 HydrophobicContact CB-CD1 4.47Å; L133-L205 HydrophobicContact CD1-CB 4.17Å; L133-L205 HydrophobicContact CD1-CD1 3.9Å; L133-P207 HydrophobicContact CD1-CB 4.47Å; L133-P207 HydrophobicContact CD1-CG 3.43Å; L133-P207 VanDerWaalsContact CD1-CG 3.43Å; L133-P207 HydrophobicContact CD2-CG 4.31Å; L133-P207 HydrophobicContact CG-CG 4.5Å; L133-I222 HydrophobicContact CD1-CG2 4.12Å; L133-F262 HydrophobicContact CB-CZ 4.5Å
134	R	88	Confident	90.7	Very high	58 Å²	58	46.3 Å²	46.3	22%	0.219	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	159.5	-178.5	85.7	-178	-157.1	175.9	4.2	112.7	Y128 E129 H132 Y136 E259	Y128-R134 WeakPolarHBondContact CD2-O 3.5Å; E129-R134 PolarHBondContact N-O 2.71Å; H132-R134 HydrophobicContact CB-CG 4.15Å; H132-R134 PolarHBondContact O-N 3.13Å; R134-Y136 HydrophobicContact CG-CD2 4.06Å; R134-Y136 HydrophobicContact CG-CE2 3.6Å; R134-Y136 VanDerWaalsContact NE-CE1 3.35Å; R134-Y136 PolarHBondContact NE-OH 2.95Å; R134-Y136 PolarHBondContact NH2-OH 3.23Å; R134-E259 IonicContact CZ-OE2 2.67Å; R134-E259 IonicContact NH1-OE2 2.75Å; R134-E259 PolarHBondContact NH1-OE2 3.15Å; R134-E259 IonicContact NH2-OE2 2.65Å
135	H	89.7	Confident	90.8	Very high	40 Å²	40	43.8 Å²	43.8	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.2	172.3	-65.1	93.9	0	0	0	111	N116 K126 C127 Y128	N116-H135 VanDerWaalsContact CG-NE2 3.33Å; N116-H135 PolarHBondContact OD1-CE1 2.72Å; N116-H135 PolarHBondContact OD1-NE2 2.77Å; K126-H135 HydrophobicContact CB-CB 4.01Å; K126-H135 HydrophobicContact CD-CB 3.96Å; C127-H135 CarbonylContact O-C 3.28Å; C127-H135 VanDerWaalsContact O-CA 3.31Å; C127-H135 WeakPolarHBondContact O-CA 3.2Å; Y128-H135 AromaticContact CD2-CD2 3.85Å; Y128-H135 AromaticContact CD2-CE1 3.67Å; Y128-H135 AromaticContact CD2-NE2 3.55Å; Y128-H135 AromaticContact CG-NE2 3.99Å
136	Y	89.1	Confident	90.7	Very high	6 Å²	6	41.9 Å²	41.9	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.4	175.3	-75.4	-92.5	0	0	0	110.3	K126 C127 E129 H132 R134 E140 W142	K126-Y136 VanDerWaalsContact CB-O 3.28Å; K126-Y136 WeakPolarHBondContact CB-O 3.38Å; C127-Y136 PolarHBondContact N-O 3.25Å; C127-Y136 VanDerWaalsContact N-O 3.1Å; C127-Y136 PolarHBondContact O-N 3.25Å; E129-Y136 HydrophobicContact CB-CD2 4.06Å; E129-Y136 HydrophobicContact CB-CE2 3.7Å; E129-Y136 HydrophobicContact CG-CE2 4.38Å; H132-Y136 AromaticContact ND1-CZ 3.79Å; H132-Y136 PolarHBondContact ND1-OH 3.32Å; R134-Y136 HydrophobicContact CG-CD2 4.06Å; R134-Y136 HydrophobicContact CG-CE2 3.6Å; R134-Y136 VanDerWaalsContact NE-CE1 3.35Å; R134-Y136 PolarHBondContact NE-OH 2.95Å; R134-Y136 PolarHBondContact NH2-OH 3.23Å; Y136-E140 WeakPolarHBondContact CA-OE2 3.42Å; Y136-E140 HydrophobicContact CD1-CB 3.97Å; Y136-E140 WeakPolarHBondContact CD1-OE2 3.29Å; Y136-W142 HydrophobicContact CD1-CB 4.42Å; Y136-W142 HydrophobicContact CD1-CD2 4Å; Y136-W142 AromaticContact CD1-CE3 3.43Å; Y136-W142 HydrophobicContact CD1-CE3 3.43Å; Y136-W142 VanDerWaalsContact CD1-CE3 3.43Å; Y136-W142 HydrophobicContact CD1-CG 4.44Å; Y136-W142 HydrophobicContact CD1-CZ3 4.01Å; Y136-W142 AromaticContact CD2-CD2 3.89Å; Y136-W142 HydrophobicContact CD2-CD2 3.89Å; Y136-W142 AromaticContact CD2-CE3 3.83Å; Y136-W142 HydrophobicContact CD2-CE3 3.83Å; Y136-W142 HydrophobicContact CD2-CG 4.47Å; Y136-W142 HydrophobicContact CD2-CH2 4.33Å; Y136-W142 HydrophobicContact CD2-CZ2 4.34Å; Y136-W142 HydrophobicContact CD2-CZ3 4.07Å; Y136-W142 HydrophobicContact CE1-CB 3.5Å; Y136-W142 AromaticContact CE1-CD2 3.83Å; Y136-W142 HydrophobicContact CE1-CD2 3.83Å; Y136-W142 AromaticContact CE1-CE3 3.69Å; Y136-W142 HydrophobicContact CE1-CE3 3.69Å; Y136-W142 AromaticContact CE1-CG 3.79Å; Y136-W142 HydrophobicContact CE1-CG 3.79Å; Y136-W142 HydrophobicContact CE2-CB 4.34Å; Y136-W142 AromaticContact CE2-CD2 3.76Å; Y136-W142 HydrophobicContact CE2-CD2 3.76Å; Y136-W142 HydrophobicContact CE2-CE3 4.11Å; Y136-W142 AromaticContact CE2-CG 3.86Å; Y136-W142 HydrophobicContact CE2-CG 3.86Å; Y136-W142 HydrophobicContact CG-CD2 4Å; Y136-W142 AromaticContact CG-CE3 3.47Å; Y136-W142 HydrophobicContact CG-CE3 3.47Å; Y136-W142 VanDerWaalsContact CG-CE3 3.47Å; Y136-W142 HydrophobicContact CG-CH2 4.31Å; Y136-W142 AromaticContact CG-CZ3 3.65Å; Y136-W142 HydrophobicContact CG-CZ3 3.65Å; Y136-W142 VanDerWaalsContact CZ-CB 3.45Å; Y136-W142 AromaticContact CZ-CD2 3.7Å; Y136-W142 AromaticContact CZ-CG 3.46Å; Y136-W142 VanDerWaalsContact CZ-CG 3.46Å; Y136-W142 VanDerWaalsContact OH-CB 3.32Å; Y136-W142 WeakPolarHBondContact OH-CB 3.32Å
137	N	88.7	Confident	90.4	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-71.1	158.9	174.4	-59.6	-57.3	0	0	0	110.7	K126 G139 E140 C155	K126-N137 WeakPolarHBondContact CD-OD1 3.45Å; K126-N137 WeakPolarHBondContact CE-OD1 3.34Å; K126-N137 PolarHBondContact NZ-OD1 3Å; N137-G139 PolarHBondContact O-N 3.48Å; N137-E140 HydrophobicContact CB-CG 4.02Å; N137-E140 PolarHBondContact N-OE2 3.5Å; N137-E140 PolarHBondContact ND2-OE1 2.88Å; N137-E140 WeakPolarHBondContact O-CB 3.37Å; N137-E140 PolarHBondContact O-N 2.84Å; N137-C155 WeakPolarHBondContact O-CB 3.42Å
138	I	88.3	Confident	89.9	Confident	69 Å²	69	57.5 Å²	57.5	35%	0.354	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131.9	175.5	-62.5	173.8	0	0	0	109.5	Q124 E140	Q124-I138 HydrophobicContact CB-CD1 3.75Å; Q124-I138 HydrophobicContact CG-CD1 4.2Å; I138-E140 VanDerWaalsContact C-N 3.31Å
139	G	89.6	Confident	89.8	Confident	55 Å²	55	56.1 Å²	56.1	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-8.6	-177	0	0	0	0	0	114.9	N137 C155	N137-G139 PolarHBondContact O-N 3.48Å; G139-C155 PolarHBondContact N-O 3.49Å
140	E	90.4	Very high	89.9	Confident	67 Å²	67	55.6 Å²	55.6	31%	0.313	29%	0.293	S	S	.	.			trans	-74.2	140.5	173.6	-69.3	-178.8	177.9	0	0	111.3	Y136 N137 I138 W142 T154 C155	Y136-E140 WeakPolarHBondContact CA-OE2 3.42Å; Y136-E140 HydrophobicContact CD1-CB 3.97Å; Y136-E140 WeakPolarHBondContact CD1-OE2 3.29Å; N137-E140 HydrophobicContact CB-CG 4.02Å; N137-E140 PolarHBondContact N-OE2 3.5Å; N137-E140 PolarHBondContact ND2-OE1 2.88Å; N137-E140 WeakPolarHBondContact O-CB 3.37Å; N137-E140 PolarHBondContact O-N 2.84Å; I138-E140 VanDerWaalsContact C-N 3.31Å; E140-W142 WeakPolarHBondContact O-CZ3 3.13Å; E140-T154 WeakPolarHBondContact O-CA 2.84Å; E140-C155 PolarHBondContact O-N 2.84Å
141	S	92.3	Very high	90.1	Very high	36 Å²	36	54.1 Å²	54.1	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.4	174	-50.8	0	0	0	0	113	C153 T154	S141-C153 CarbonylContact C-O 3.58Å; S141-C153 WeakPolarHBondContact CA-O 3.18Å; S141-C153 WeakPolarHBondContact CB-O 3.46Å; S141-T154 PolarHBondContact OG-OG1 2.95Å
142	W	92.9	Very high	90.4	Very high	10 Å²	10	57 Å²	57	4%	0.038	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	162.6	175.1	63.6	103.8	0	0	0	112.3	C127 E129 H132 Y136 E140 R152 C153 C155 V160	C127-W142 HydrophobicContact CB-CH2 3.99Å; E129-W142 HydrophobicContact CB-CZ2 4.37Å; E129-W142 PolarHBondContact OE2-NE1 3.01Å; H132-W142 AromaticContact CE1-CD1 3.89Å; H132-W142 AromaticContact ND1-CD1 3.93Å; Y136-W142 HydrophobicContact CD1-CB 4.42Å; Y136-W142 HydrophobicContact CD1-CD2 4Å; Y136-W142 AromaticContact CD1-CE3 3.43Å; Y136-W142 HydrophobicContact CD1-CE3 3.43Å; Y136-W142 VanDerWaalsContact CD1-CE3 3.43Å; Y136-W142 HydrophobicContact CD1-CG 4.44Å; Y136-W142 HydrophobicContact CD1-CZ3 4.01Å; Y136-W142 AromaticContact CD2-CD2 3.89Å; Y136-W142 HydrophobicContact CD2-CD2 3.89Å; Y136-W142 AromaticContact CD2-CE3 3.83Å; Y136-W142 HydrophobicContact CD2-CE3 3.83Å; Y136-W142 HydrophobicContact CD2-CG 4.47Å; Y136-W142 HydrophobicContact CD2-CH2 4.33Å; Y136-W142 HydrophobicContact CD2-CZ2 4.34Å; Y136-W142 HydrophobicContact CD2-CZ3 4.07Å; Y136-W142 HydrophobicContact CE1-CB 3.5Å; Y136-W142 AromaticContact CE1-CD2 3.83Å; Y136-W142 HydrophobicContact CE1-CD2 3.83Å; Y136-W142 AromaticContact CE1-CE3 3.69Å; Y136-W142 HydrophobicContact CE1-CE3 3.69Å; Y136-W142 AromaticContact CE1-CG 3.79Å; Y136-W142 HydrophobicContact CE1-CG 3.79Å; Y136-W142 HydrophobicContact CE2-CB 4.34Å; Y136-W142 AromaticContact CE2-CD2 3.76Å; Y136-W142 HydrophobicContact CE2-CD2 3.76Å; Y136-W142 HydrophobicContact CE2-CE3 4.11Å; Y136-W142 AromaticContact CE2-CG 3.86Å; Y136-W142 HydrophobicContact CE2-CG 3.86Å; Y136-W142 HydrophobicContact CG-CD2 4Å; Y136-W142 AromaticContact CG-CE3 3.47Å; Y136-W142 HydrophobicContact CG-CE3 3.47Å; Y136-W142 VanDerWaalsContact CG-CE3 3.47Å; Y136-W142 HydrophobicContact CG-CH2 4.31Å; Y136-W142 AromaticContact CG-CZ3 3.65Å; Y136-W142 HydrophobicContact CG-CZ3 3.65Å; Y136-W142 VanDerWaalsContact CZ-CB 3.45Å; Y136-W142 AromaticContact CZ-CD2 3.7Å; Y136-W142 AromaticContact CZ-CG 3.46Å; Y136-W142 VanDerWaalsContact CZ-CG 3.46Å; Y136-W142 VanDerWaalsContact OH-CB 3.32Å; Y136-W142 WeakPolarHBondContact OH-CB 3.32Å; E140-W142 WeakPolarHBondContact O-CZ3 3.13Å; W142-R152 CarbonylContact O-C 3.5Å; W142-R152 WeakPolarHBondContact O-CA 3.29Å; W142-C153 HydrophobicContact CD2-CB 3.9Å; W142-C153 VanDerWaalsContact CE2-CB 3.48Å; W142-C153 HydrophobicContact CE3-CB 4.42Å; W142-C153 HydrophobicContact CG-CB 4.37Å; W142-C153 HydrophobicContact CH2-CB 4.18Å; W142-C153 HydrophobicContact CZ2-CB 3.65Å; W142-C153 PolarHBondContact N-O 3.05Å; W142-C153 PolarHBondContact O-N 2.59Å; W142-C155 HydrophobicContact CH2-CB 4.22Å; W142-C155 HydrophobicContact CZ3-CB 3.92Å; W142-V160 HydrophobicContact CH2-CB 4.5Å; W142-V160 HydrophobicContact CH2-CG1 4.02Å; W142-V160 HydrophobicContact CH2-CG2 4.01Å; W142-V160 HydrophobicContact CZ2-CB 4.41Å; W142-V160 HydrophobicContact CZ2-CG1 3.6Å; W142-V160 HydrophobicContact CZ2-CG2 3.97Å
143	G	92.3	Very high	90.7	Very high	9 Å²	9	56.3 Å²	56.3	9%	0.093	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	147	168.7	0	0	0	0	0	110.3	H132 E151	H132-G143 PolarHBondContact CE1-O 2.95Å; G143-E151 CarbonylContact C-O 3.47Å; G143-E151 VanDerWaalsContact CA-O 3.27Å; G143-E151 WeakPolarHBondContact CA-O 3.31Å
144	R	93.1	Very high	91	Very high	47 Å²	47	56.7 Å²	56.7	18%	0.177	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.5	169.5	72.5	-177.6	-172.9	-170.4	-1.1	111	E129 V150 E151 C153 C162	E129-R144 WeakPolarHBondContact OE2-CD 3.44Å; E129-R144 IonicContact OE2-NH1 3.93Å; E129-R144 PolarHBondContact OE2-NH1 3.01Å; R144-V150 WeakPolarHBondContact O-CA 3.25Å; R144-E151 HydrophobicContact CG-CB 4.15Å; R144-E151 IonicContact CZ-OE2 2.71Å; R144-E151 VanDerWaalsContact CZ-OE2 3.3Å; R144-E151 PolarHBondContact N-O 2.75Å; R144-E151 IonicContact NE-OE2 2.59Å; R144-E151 PolarHBondContact NE-OE2 2.81Å; R144-E151 IonicContact NH2-OE2 3.19Å; R144-E151 PolarHBondContact NH2-OE2 2.98Å; R144-E151 PolarHBondContact O-N 2.94Å; R144-C153 PolarHBondContact NE-SG 2.87Å; R144-C153 VanDerWaalsContact NE-SG 3.41Å; R144-C162 PolarHBondContact NH2-SG 2.77Å
145	I	91.8	Very high	91.3	Very high	27 Å²	27	54 Å²	54	14%	0.138	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.5	171.6	-55.7	-172.3	0	0	0	108	N149 V150 R182 V191 Y193	I145-N149 CarbonylContact C-O 3.47Å; I145-N149 VanDerWaalsContact CA-O 3.31Å; I145-N149 WeakPolarHBondContact CA-O 3.32Å; I145-V150 HydrophobicContact CD1-CG2 4.41Å; I145-V150 HydrophobicContact CG1-CG2 4.17Å; I145-R182 HydrophobicContact CD1-CB 3.94Å; I145-R182 HydrophobicContact CD1-CG 3.52Å; I145-V191 HydrophobicContact CD1-CG1 4.45Å; I145-V191 HydrophobicContact CG1-CB 4.46Å; I145-V191 HydrophobicContact CG1-CG1 3.82Å; I145-Y193 HydrophobicContact CB-CD2 4.07Å; I145-Y193 HydrophobicContact CB-CG 4.42Å; I145-Y193 HydrophobicContact CG2-CD2 3.97Å; I145-Y193 HydrophobicContact CG2-CG 4.28Å
146	H	88.6	Confident	91.5	Very high	84 Å²	84	57.2 Å²	57.2	39%	0.389	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.7	-179.2	-170.8	66.9	0	0	0	109.6	R148 N149 E151	H146-R148 PolarHBondContact O-N 2.85Å; H146-N149 PolarHBondContact N-O 2.8Å; H146-N149 PolarHBondContact O-N 3.2Å; H146-N149 VanDerWaalsContact O-O 3.13Å; H146-E151 IonicContact CD2-OE1 3.3Å
147	L	86.2	Confident	91.4	Very high	144 Å²	144	60.8 Å²	60.8	75%	0.754	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	40.3	-179.8	-60.8	172.8	0	0	0	114	N149	L147-N149 PolarHBondContact O-N 2Å
148	R	84	Confident	91.4	Very high	226 Å²	226	58.7 Å²	58.7	85%	0.853	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	2.4	-177.9	-50.7	178.7	179.3	-124.7	0.1	116.3	H146 Y167	H146-R148 PolarHBondContact O-N 2.85Å; R148-Y167 PolarHBondContact O-OH 2.92Å
149	N	91.6	Very high	91.6	Very high	83 Å²	83	62.8 Å²	62.8	44%	0.444	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	153.9	171.3	-69.3	-36.8	0	0	0	111.1	I145 H146 L147	I145-N149 CarbonylContact C-O 3.47Å; I145-N149 VanDerWaalsContact CA-O 3.31Å; I145-N149 WeakPolarHBondContact CA-O 3.32Å; H146-N149 PolarHBondContact N-O 2.8Å; H146-N149 PolarHBondContact O-N 3.2Å; H146-N149 VanDerWaalsContact O-O 3.13Å; L147-N149 PolarHBondContact O-N 2Å
150	V	94.2	Very high	91.8	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.2	171.9	-175.6	0	0	0	0	108	R144 I145 V165 Y167 R182 I184 V191	R144-V150 WeakPolarHBondContact O-CA 3.25Å; I145-V150 HydrophobicContact CD1-CG2 4.41Å; I145-V150 HydrophobicContact CG1-CG2 4.17Å; V150-V165 HydrophobicContact CB-CG2 4.35Å; V150-V165 HydrophobicContact CG1-CG2 3.93Å; V150-V165 WeakPolarHBondContact O-CG2 3.46Å; V150-V165 PolarHBondContact O-N 3.14Å; V150-Y167 HydrophobicContact CB-CD1 3.52Å; V150-Y167 HydrophobicContact CB-CE1 4.1Å; V150-Y167 HydrophobicContact CB-CG 3.82Å; V150-Y167 HydrophobicContact CG2-CD1 3.37Å; V150-Y167 HydrophobicContact CG2-CD2 3.67Å; V150-Y167 HydrophobicContact CG2-CE1 3.76Å; V150-Y167 HydrophobicContact CG2-CE2 4.02Å; V150-Y167 HydrophobicContact CG2-CG 3.31Å; V150-R182 HydrophobicContact CG2-CB 3.64Å; V150-R182 HydrophobicContact CG2-CG 3.85Å; V150-I184 HydrophobicContact CG1-CD1 4.12Å; V150-I184 HydrophobicContact CG1-CG1 3.71Å; V150-V191 HydrophobicContact CG1-CG2 4.39Å
151	E	95.1	Very high	92.1	Very high	36 Å²	36	61.5 Å²	61.5	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.9	178.6	-64.8	175.6	169.3	0	0	109.7	G143 R144 H146 C162 Q163	G143-E151 CarbonylContact C-O 3.47Å; G143-E151 VanDerWaalsContact CA-O 3.27Å; G143-E151 WeakPolarHBondContact CA-O 3.31Å; R144-E151 HydrophobicContact CG-CB 4.15Å; R144-E151 IonicContact CZ-OE2 2.71Å; R144-E151 VanDerWaalsContact CZ-OE2 3.3Å; R144-E151 PolarHBondContact N-O 2.75Å; R144-E151 IonicContact NE-OE2 2.59Å; R144-E151 PolarHBondContact NE-OE2 2.81Å; R144-E151 IonicContact NH2-OE2 3.19Å; R144-E151 PolarHBondContact NH2-OE2 2.98Å; R144-E151 PolarHBondContact O-N 2.94Å; H146-E151 IonicContact CD2-OE1 3.3Å; E151-C162 HydrophobicContact CB-CB 4.23Å; E151-Q163 CarbonylContact C-O 3.55Å; E151-Q163 VanDerWaalsContact CA-O 3.29Å; E151-Q163 WeakPolarHBondContact CA-O 3.29Å
152	R	94.4	Very high	92.3	Very high	103 Å²	103	61.6 Å²	61.6	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.7	163	-178.6	178.5	178.3	168.3	-1	108	W142 C162 Q163 V165 T187	W142-R152 CarbonylContact O-C 3.5Å; W142-R152 WeakPolarHBondContact O-CA 3.29Å; R152-C162 WeakPolarHBondContact O-CA 3.36Å; R152-Q163 PolarHBondContact N-O 2.01Å; R152-Q163 PolarHBondContact O-N 3.26Å; R152-V165 HydrophobicContact CB-CG1 3.65Å; R152-V165 HydrophobicContact CB-CG2 4.39Å; R152-T187 VanDerWaalsContact NH1-CG2 3.34Å
153	C	94.9	Very high	92.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.2	-179.1	-58.5	0	0	0	0	111	S141 W142 R144 V160 S161 C162	S141-C153 CarbonylContact C-O 3.58Å; S141-C153 WeakPolarHBondContact CA-O 3.18Å; S141-C153 WeakPolarHBondContact CB-O 3.46Å; W142-C153 HydrophobicContact CD2-CB 3.9Å; W142-C153 VanDerWaalsContact CE2-CB 3.48Å; W142-C153 HydrophobicContact CE3-CB 4.42Å; W142-C153 HydrophobicContact CG-CB 4.37Å; W142-C153 HydrophobicContact CH2-CB 4.18Å; W142-C153 HydrophobicContact CZ2-CB 3.65Å; W142-C153 PolarHBondContact N-O 3.05Å; W142-C153 PolarHBondContact O-N 2.59Å; R144-C153 PolarHBondContact NE-SG 2.87Å; R144-C153 VanDerWaalsContact NE-SG 3.41Å; C153-V160 HydrophobicContact CB-CG1 4.08Å; C153-S161 CarbonylContact C-O 3.58Å; C153-S161 WeakPolarHBondContact CA-O 3.21Å; C153-C162 HydrophobicContact CB-CB 4.11Å; C153-C162 WeakPolarHBondContact CB-SG 3.48Å; C153-C162 WeakPolarHBondContact SG-CB 2.92Å; C153-C162 CovalentContact SG-SG 2.03Å; C153-C162 PolarHBondContact SG-SG 2.79Å
154	T	95.6	Very high	92.4	Very high	35 Å²	35	71.6 Å²	71.6	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.2	174.3	-55.9	0	0	0	0	109.2	E140 S141 E156 S161	E140-T154 WeakPolarHBondContact O-CA 2.84Å; S141-T154 PolarHBondContact OG-OG1 2.95Å; T154-E156 HydrophobicContact CG2-CG 4.43Å; T154-E156 PolarHBondContact O-N 2.87Å; T154-S161 PolarHBondContact N-O 3.37Å; T154-S161 PolarHBondContact O-N 2.69Å
155	C	95	Very high	92.5	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.007	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.2	174.7	-173.9	0	0	0	0	110.5	C127 N137 G139 E140 W142	C127-C155 HydrophobicContact CB-CB 3.61Å; C127-C155 WeakPolarHBondContact CB-SG 3.33Å; C127-C155 PolarHBondContact N-SG 3.02Å; C127-C155 WeakPolarHBondContact SG-CA 3.49Å; C127-C155 WeakPolarHBondContact SG-CB 3.27Å; C127-C155 CovalentContact SG-SG 2.04Å; C127-C155 PolarHBondContact SG-SG 2.76Å; N137-C155 WeakPolarHBondContact O-CB 3.42Å; G139-C155 PolarHBondContact N-O 3.49Å; E140-C155 PolarHBondContact O-N 2.84Å; W142-C155 HydrophobicContact CH2-CB 4.22Å; W142-C155 HydrophobicContact CZ3-CB 3.92Å
156	E	93.8	Very high	92.7	Very high	107 Å²	107	76.9 Å²	76.9	50%	0.5	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	99	-179.4	-68.1	177.9	-178	0	0	108.3	T154 G158 E159 S161	T154-E156 HydrophobicContact CG2-CG 4.43Å; T154-E156 PolarHBondContact O-N 2.87Å; E156-G158 PolarHBondContact O-N 2.98Å; E156-E159 PolarHBondContact N-O 3.05Å; E156-E159 PolarHBondContact O-N 3.46Å; E156-S161 VanDerWaalsContact CD-CB 3.41Å; E156-S161 VanDerWaalsContact OE2-CB 3.26Å; E156-S161 WeakPolarHBondContact OE2-CB 3.49Å; E156-S161 PolarHBondContact OE2-OG 3.3Å
157	A	87.6	Confident	93	Very high	82 Å²	82	76.5 Å²	76.5	68%	0.678	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	32.5	178.3	0	0	0	0	0	115.7
158	G	87.4	Confident	93.5	Very high	11 Å²	11	73 Å²	73	11%	0.113	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-1.2	-179.7	0	0	0	0	0	114.5	K125 C127 E156	K125-G158 WeakPolarHBondContact O-CA 3.15Å; K125-G158 PolarHBondContact O-N 3.02Å; C127-G158 VanDerWaalsContact SG-CA 3.58Å; E156-G158 PolarHBondContact O-N 2.98Å
159	E	93.2	Very high	93.9	Very high	155 Å²	155	70.3 Å²	70.3	72%	0.724	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.3	170.9	-62.5	-171.1	172.6	0	0	111.4	C127 E156	C127-E159 VanDerWaalsContact SG-C 3.58Å; C127-E159 PolarHBondContact SG-O 3.48Å; E156-E159 PolarHBondContact N-O 3.05Å; E156-E159 PolarHBondContact O-N 3.46Å
160	V	94.6	Very high	94	Very high	55 Å²	55	67 Å²	67	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.5	-178.7	177.2	0	0	0	0	108.7	C127 W142 C153 C162	C127-V160 HydrophobicContact CB-CG2 3.69Å; W142-V160 HydrophobicContact CH2-CB 4.5Å; W142-V160 HydrophobicContact CH2-CG1 4.02Å; W142-V160 HydrophobicContact CH2-CG2 4.01Å; W142-V160 HydrophobicContact CZ2-CB 4.41Å; W142-V160 HydrophobicContact CZ2-CG1 3.6Å; W142-V160 HydrophobicContact CZ2-CG2 3.97Å; C153-V160 HydrophobicContact CB-CG1 4.08Å; V160-C162 WeakPolarHBondContact CG1-SG 3.31Å
161	S	96.3	Very high	93.9	Very high	39 Å²	39	78.4 Å²	78.4	27%	0.273	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.5	175.6	-179.7	0	0	0	0	109.6	C153 T154 E156	C153-S161 CarbonylContact C-O 3.58Å; C153-S161 WeakPolarHBondContact CA-O 3.21Å; T154-S161 PolarHBondContact N-O 3.37Å; T154-S161 PolarHBondContact O-N 2.69Å; E156-S161 VanDerWaalsContact CD-CB 3.41Å; E156-S161 VanDerWaalsContact OE2-CB 3.26Å; E156-S161 WeakPolarHBondContact OE2-CB 3.49Å; E156-S161 PolarHBondContact OE2-OG 3.3Å
162	C	94.9	Very high	93.7	Very high	39 Å²	39	86.5 Å²	86.5	26%	0.264	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143	-174	-60.3	0	0	0	0	112.5	R144 E151 R152 C153 V160	R144-C162 PolarHBondContact NH2-SG 2.77Å; E151-C162 HydrophobicContact CB-CB 4.23Å; R152-C162 WeakPolarHBondContact O-CA 3.36Å; C153-C162 HydrophobicContact CB-CB 4.11Å; C153-C162 WeakPolarHBondContact CB-SG 3.48Å; C153-C162 WeakPolarHBondContact SG-CB 2.92Å; C153-C162 CovalentContact SG-SG 2.03Å; C153-C162 PolarHBondContact SG-SG 2.79Å; V160-C162 WeakPolarHBondContact CG1-SG 3.31Å
163	Q	94.8	Very high	93.5	Very high	142 Å²	142	86 Å²	86	66%	0.664	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.5	176.5	-61.6	176.8	4.1	0	0	109.9	E151 R152	E151-Q163 CarbonylContact C-O 3.55Å; E151-Q163 VanDerWaalsContact CA-O 3.29Å; E151-Q163 WeakPolarHBondContact CA-O 3.29Å; R152-Q163 PolarHBondContact N-O 2.01Å; R152-Q163 PolarHBondContact O-N 3.26Å
164	S	94.5	Very high	93.1	Very high	86 Å²	86	88.3 Å²	88.3	60%	0.601	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.8	173.9	-172.1	0	0	0	0	110.2
165	V	95.2	Very high	92.9	Very high	26 Å²	26	87.1 Å²	87.1	16%	0.158	44%	0.436	C	S	.	.			trans	-129.1	152.6	-177	-67.5	0	0	0	0	111.7	V150 R152 Y167 I184	V150-V165 HydrophobicContact CB-CG2 4.35Å; V150-V165 HydrophobicContact CG1-CG2 3.93Å; V150-V165 WeakPolarHBondContact O-CG2 3.46Å; V150-V165 PolarHBondContact O-N 3.14Å; R152-V165 HydrophobicContact CB-CG1 3.65Å; R152-V165 HydrophobicContact CB-CG2 4.39Å; V165-Y167 WeakPolarHBondContact O-CD1 3Å; V165-I184 HydrophobicContact CB-CG2 4.35Å; V165-I184 HydrophobicContact CG2-CD1 4.16Å; V165-I184 HydrophobicContact CG2-CG1 4Å; V165-I184 HydrophobicContact CG2-CG2 3.94Å
166	H	94.9	Very high	92.6	Very high	160 Å²	160	91 Å²	91	74%	0.741	45%	0.453	S	S	*	.			trans	-65.4	138.5	171.7	-70	-65.2	0	0	0	111.4	T185	H166-T185 PolarHBondContact O-N 3.41Å; H166-T185 PolarHBondContact O-OG1 2.03Å
167	Y	95.4	Very high	92.4	Very high	75 Å²	75	89.1 Å²	89.1	29%	0.294	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.1	-176.1	68.8	-92	0	0	0	112.5	R148 V150 V165 R182 L183	R148-Y167 PolarHBondContact O-OH 2.92Å; V150-Y167 HydrophobicContact CB-CD1 3.52Å; V150-Y167 HydrophobicContact CB-CE1 4.1Å; V150-Y167 HydrophobicContact CB-CG 3.82Å; V150-Y167 HydrophobicContact CG2-CD1 3.37Å; V150-Y167 HydrophobicContact CG2-CD2 3.67Å; V150-Y167 HydrophobicContact CG2-CE1 3.76Å; V150-Y167 HydrophobicContact CG2-CE2 4.02Å; V150-Y167 HydrophobicContact CG2-CG 3.31Å; V165-Y167 WeakPolarHBondContact O-CD1 3Å; Y167-R182 HydrophobicContact CD2-CB 3.98Å; Y167-R182 HydrophobicContact CD2-CG 3.92Å; Y167-R182 HydrophobicContact CE2-CG 4.1Å; Y167-L183 CarbonylContact C-O 3.43Å; Y167-L183 WeakPolarHBondContact CA-O 3.36Å; Y167-L183 WeakPolarHBondContact CB-O 3.38Å
168	T	95.4	Very high	92.7	Very high	70 Å²	70	91.5 Å²	91.5	43%	0.429	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	174.1	173.2	57.4	0	0	0	0	110.9	R182 L183 T185	T168-R182 WeakPolarHBondContact O-CA 3.32Å; T168-L183 PolarHBondContact N-O 2.94Å; T168-L183 PolarHBondContact O-N 3.25Å; T168-T185 HydrophobicContact CG2-CG2 3.79Å
169	K	93.6	Very high	92.9	Very high	171 Å²	171	91.1 Å²	91.1	74%	0.743	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.2	172	-173	179.9	177.5	-177.8	0	109.2
170	C	93.9	Very high	92.9	Very high	12 Å²	12	87.9 Å²	87.9	8%	0.081	43%	0.426	C	S	.	.			trans	-63.9	144.7	175.9	-53.2	0	0	0	0	111.4	R172 C181 R182	C170-R172 WeakPolarHBondContact CB-O 2.97Å; C170-C181 HydrophobicContact CB-CB 3.64Å; C170-C181 WeakPolarHBondContact CB-SG 3.05Å; C170-C181 WeakPolarHBondContact SG-CB 3.32Å; C170-C181 CovalentContact SG-SG 2.02Å; C170-C181 PolarHBondContact SG-SG 3.5Å; C170-R182 VanDerWaalsContact SG-CA 3.56Å; C170-R182 PolarHBondContact SG-N 2.64Å
171	R	91.5	Very high	92.9	Very high	241 Å²	241	85.6 Å²	85.6	91%	0.909	41%	0.413	S	S	*	.	S	Bend	trans	-66.8	-38.5	178.7	-176	179.6	178.2	-175.6	1	112.2
172	R	90.4	Very high	92.9	Very high	207 Å²	207	87.6 Å²	87.6	78%	0.781	41%	0.414	S	S	*	.	S	Bend	trans	-124.5	150.7	168.6	-67.4	-178.9	179.1	173.5	-0.3	107.3	C170 P174	C170-R172 WeakPolarHBondContact CB-O 2.97Å; R172-P174 WeakPolarHBondContact O-CD 3.3Å
173	N	89.9	Confident	92.8	Very high	92 Å²	92	88 Å²	88	49%	0.492	41%	0.413	S	S	.	.			trans	-95.3	100.7	178.8	-170.3	1.5	0	0	0	110	C175 G179 C181	N173-C175 VanDerWaalsContact C-N 3.28Å; N173-C175 VanDerWaalsContact OD1-CB 3.27Å; N173-C175 WeakPolarHBondContact OD1-CB 3.42Å; N173-C175 PolarHBondContact OD1-N 3.29Å; N173-C175 VanDerWaalsContact OD1-N 3.14Å; N173-C175 PolarHBondContact OD1-SG 2.86Å; N173-G179 PolarHBondContact ND2-O 3.37Å; N173-C181 VanDerWaalsContact OD1-CB 3.28Å; N173-C181 WeakPolarHBondContact OD1-CB 2.93Å
174	P	87.4	Confident	92.7	Very high	48 Å²	48	81.3 Å²	81.3	31%	0.312	38%	0.382	S	S	.	.			trans	-73.6	-20.5	176.2	34.4	-40.8	0	0	0	112.8	R172 K176 C181 E190	R172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-K176 PolarHBondContact O-N 3.35Å; P174-C181 WeakPolarHBondContact CD-SG 3.49Å; P174-E190 HydrophobicContact CG-CB 4.41Å; P174-E190 WeakPolarHBondContact CG-OE2 3.36Å
175	C	90.3	Very high	92.6	Very high	10 Å²	10	80.8 Å²	80.8	7%	0.068	38%	0.376	C	S	.	.			trans	-66.1	127.8	-173.8	-49.6	0	0	0	0	110.9	N173 C181 C192	N173-C175 VanDerWaalsContact C-N 3.28Å; N173-C175 VanDerWaalsContact OD1-CB 3.27Å; N173-C175 WeakPolarHBondContact OD1-CB 3.42Å; N173-C175 PolarHBondContact OD1-N 3.29Å; N173-C175 VanDerWaalsContact OD1-N 3.14Å; N173-C175 PolarHBondContact OD1-SG 2.86Å; C175-C181 VanDerWaalsContact SG-CB 3.51Å; C175-C192 WeakPolarHBondContact CA-SG 3.1Å; C175-C192 HydrophobicContact CB-CB 3.8Å; C175-C192 WeakPolarHBondContact CB-SG 3.37Å; C175-C192 WeakPolarHBondContact SG-CA 3.2Å; C175-C192 WeakPolarHBondContact SG-CB 3.48Å; C175-C192 CovalentContact SG-SG 2.02Å; C175-C192 PolarHBondContact SG-SG 3.05Å
176	K	89.8	Confident	92.3	Very high	84 Å²	84	83.6 Å²	83.6	37%	0.365	40%	0.397	S	S	.	.	S	Bend	trans	-77	169.1	178.1	-54.9	-54.6	-179.3	-171.6	0	110.9	P174 Q178 G179 D202 C203	P174-K176 PolarHBondContact O-N 3.35Å; K176-Q178 PolarHBondContact O-N 2.99Å; K176-Q178 VanDerWaalsContact O-N 3.11Å; K176-G179 PolarHBondContact O-N 3.05Å; K176-D202 WeakPolarHBondContact CB-O 3.34Å; K176-D202 PolarHBondContact N-O 3.08Å; K176-C203 WeakPolarHBondContact O-CB 3.48Å
177	N	90.3	Very high	92	Very high	67 Å²	67	78.5 Å²	78.5	36%	0.358	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	39.4	173.2	-58.6	-50.4	0	0	0	114	G179 Y198 C203	N177-G179 PolarHBondContact O-N 3.02Å; N177-Y198 HydrophobicContact CB-CD1 3.54Å; N177-Y198 HydrophobicContact CB-CD2 4.12Å; N177-Y198 HydrophobicContact CB-CE1 3.51Å; N177-Y198 HydrophobicContact CB-CE2 4.1Å; N177-Y198 HydrophobicContact CB-CG 3.85Å; N177-Y198 VanDerWaalsContact CG-CD1 3.46Å; N177-Y198 VanDerWaalsContact ND2-CD1 3.27Å; N177-Y198 WeakPolarHBondContact ND2-CD1 3.34Å; N177-Y198 WeakPolarHBondContact ND2-CE1 3.34Å; N177-C203 PolarHBondContact ND2-O 2.78Å
178	Q	92.1	Very high	91.7	Very high	132 Å²	132	77.2 Å²	77.2	62%	0.617	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	30.5	-180	-49.5	175.4	19.1	0	0	113.7	K176 R195	K176-Q178 PolarHBondContact O-N 2.99Å; K176-Q178 VanDerWaalsContact O-N 3.11Å; Q178-R195 PolarHBondContact O-NE 2.72Å
179	G	91.9	Very high	91.3	Very high	2 Å²	2	79.4 Å²	79.4	2%	0.021	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-64.8	157.8	171	0	0	0	0	0	112.6	N173 K176 N177 Y193	N173-G179 PolarHBondContact ND2-O 3.37Å; K176-G179 PolarHBondContact O-N 3.05Å; N177-G179 PolarHBondContact O-N 3.02Å; G179-Y193 CarbonylContact C-O 3.44Å; G179-Y193 VanDerWaalsContact CA-O 3.23Å; G179-Y193 WeakPolarHBondContact CA-O 3.29Å
180	I	93.8	Very high	91.2	Very high	87 Å²	87	76.2 Å²	76.2	45%	0.446	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.7	-179.4	-59.9	168.9	0	0	0	108.9	C192 Y193	I180-C192 WeakPolarHBondContact O-CA 3.44Å; I180-Y193 HydrophobicContact CD1-CD1 4.16Å; I180-Y193 PolarHBondContact N-O 3.01Å; I180-Y193 PolarHBondContact O-N 2.7Å
181	C	94.9	Very high	91.2	Very high	7 Å²	7	75.9 Å²	75.9	5%	0.047	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.7	177.5	-171.4	0	0	0	0	112.6	C170 N173 P174 C175 V191	C170-C181 HydrophobicContact CB-CB 3.64Å; C170-C181 WeakPolarHBondContact CB-SG 3.05Å; C170-C181 WeakPolarHBondContact SG-CB 3.32Å; C170-C181 CovalentContact SG-SG 2.02Å; C170-C181 PolarHBondContact SG-SG 3.5Å; N173-C181 VanDerWaalsContact OD1-CB 3.28Å; N173-C181 WeakPolarHBondContact OD1-CB 2.93Å; P174-C181 WeakPolarHBondContact CD-SG 3.49Å; C175-C181 VanDerWaalsContact SG-CB 3.51Å; C181-V191 WeakPolarHBondContact CA-O 3.36Å
182	R	95.6	Very high	91.3	Very high	81 Å²	81	65 Å²	65	31%	0.306	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.6	166.3	-59.7	-60.2	-174.4	168	0.7	111	I145 V150 Y167 T168 C170 E190 V191	I145-R182 HydrophobicContact CD1-CB 3.94Å; I145-R182 HydrophobicContact CD1-CG 3.52Å; V150-R182 HydrophobicContact CG2-CB 3.64Å; V150-R182 HydrophobicContact CG2-CG 3.85Å; Y167-R182 HydrophobicContact CD2-CB 3.98Å; Y167-R182 HydrophobicContact CD2-CG 3.92Å; Y167-R182 HydrophobicContact CE2-CG 4.1Å; T168-R182 WeakPolarHBondContact O-CA 3.32Å; C170-R182 VanDerWaalsContact SG-CA 3.56Å; C170-R182 PolarHBondContact SG-N 2.64Å; R182-E190 CarbonylContact O-C 3.59Å; R182-E190 WeakPolarHBondContact O-CA 3.45Å; R182-V191 PolarHBondContact N-O 3.46Å; R182-V191 PolarHBondContact O-N 2.98Å
183	L	93.8	Very high	91.4	Very high	47 Å²	47	60.1 Å²	60.1	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121	179.4	-177.3	74.4	0	0	0	109.1	Y167 T168 T185 G188 E190	Y167-L183 CarbonylContact C-O 3.43Å; Y167-L183 WeakPolarHBondContact CA-O 3.36Å; Y167-L183 WeakPolarHBondContact CB-O 3.38Å; T168-L183 PolarHBondContact N-O 2.94Å; T168-L183 PolarHBondContact O-N 3.25Å; L183-T185 PolarHBondContact O-N 2.98Å; L183-G188 VanDerWaalsContact CD1-O 3.22Å; L183-G188 WeakPolarHBondContact CD1-O 3.39Å; L183-E190 HydrophobicContact CD1-CG 3.7Å
184	I	92.1	Very high	91.6	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	115	172.7	-62	173.6	0	0	0	108.2	V150 V165 S186 T187 G188 K189 V191	V150-I184 HydrophobicContact CG1-CD1 4.12Å; V150-I184 HydrophobicContact CG1-CG1 3.71Å; V165-I184 HydrophobicContact CB-CG2 4.35Å; V165-I184 HydrophobicContact CG2-CD1 4.16Å; V165-I184 HydrophobicContact CG2-CG1 4Å; V165-I184 HydrophobicContact CG2-CG2 3.94Å; I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 WeakPolarHBondContact CG2-OG 3.34Å; I184-S186 PolarHBondContact O-N 3.19Å; I184-T187 WeakPolarHBondContact CG2-OG1 3.33Å; I184-T187 PolarHBondContact O-N 2.82Å; I184-G188 WeakPolarHBondContact O-CA 3.44Å; I184-G188 PolarHBondContact O-N 2.79Å; I184-K189 PolarHBondContact N-O 3.02Å; I184-V191 HydrophobicContact CD1-CG2 3.67Å; I184-V191 HydrophobicContact CG1-CG2 3.92Å
185	T	92	Very high	91.8	Very high	76 Å²	76	60.6 Å²	60.6	47%	0.466	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.4	-171.5	52.6	0	0	0	0	113.1	H166 T168 L183 T187	H166-T185 PolarHBondContact O-N 3.41Å; H166-T185 PolarHBondContact O-OG1 2.03Å; T168-T185 HydrophobicContact CG2-CG2 3.79Å; L183-T185 PolarHBondContact O-N 2.98Å; T185-T187 VanDerWaalsContact C-N 3.32Å; T185-T187 PolarHBondContact O-N 3.26Å
186	S	89.6	Confident	91.8	Very high	85 Å²	85	67.4 Å²	67.4	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-21.5	-178.2	58.7	0	0	0	0	114.6	I184	I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 WeakPolarHBondContact CG2-OG 3.34Å; I184-S186 PolarHBondContact O-N 3.19Å
187	T	89.1	Confident	91.8	Very high	52 Å²	52	64.5 Å²	64.5	32%	0.319	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-12.3	-175.5	59.4	0	0	0	0	113.8	R152 I184 T185 K189	R152-T187 VanDerWaalsContact NH1-CG2 3.34Å; I184-T187 WeakPolarHBondContact CG2-OG1 3.33Å; I184-T187 PolarHBondContact O-N 2.82Å; T185-T187 VanDerWaalsContact C-N 3.32Å; T185-T187 PolarHBondContact O-N 3.26Å; T187-K189 PolarHBondContact O-N 2.87Å; T187-K189 PolarHBondContact OG1-N 3.31Å
188	G	88.4	Confident	91.9	Very high	49 Å²	49	65.8 Å²	65.8	51%	0.505	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	12.3	-171.2	0	0	0	0	0	113.9	L183 I184	L183-G188 VanDerWaalsContact CD1-O 3.22Å; L183-G188 WeakPolarHBondContact CD1-O 3.39Å; I184-G188 WeakPolarHBondContact O-CA 3.44Å; I184-G188 PolarHBondContact O-N 2.79Å
189	K	87.5	Confident	91.9	Very high	115 Å²	115	59.7 Å²	59.7	50%	0.5	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.1	179.7	-70.8	-171.1	176.3	-173.5	0	111.3	I184 T187	I184-K189 PolarHBondContact N-O 3.02Å; T187-K189 PolarHBondContact O-N 2.87Å; T187-K189 PolarHBondContact OG1-N 3.31Å
190	E	91.4	Very high	91.7	Very high	104 Å²	104	59.7 Å²	59.7	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.4	172.4	-64.9	177.9	148.4	0	0	110.1	P174 R182 L183	P174-E190 HydrophobicContact CG-CB 4.41Å; P174-E190 WeakPolarHBondContact CG-OE2 3.36Å; R182-E190 CarbonylContact O-C 3.59Å; R182-E190 WeakPolarHBondContact O-CA 3.45Å; L183-E190 HydrophobicContact CD1-CG 3.7Å
191	V	93.3	Very high	91.4	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.4	-177.3	-173.1	0	0	0	0	109	I145 V150 C181 R182 I184	I145-V191 HydrophobicContact CD1-CG1 4.45Å; I145-V191 HydrophobicContact CG1-CB 4.46Å; I145-V191 HydrophobicContact CG1-CG1 3.82Å; V150-V191 HydrophobicContact CG1-CG2 4.39Å; C181-V191 WeakPolarHBondContact CA-O 3.36Å; R182-V191 PolarHBondContact N-O 3.46Å; R182-V191 PolarHBondContact O-N 2.98Å; I184-V191 HydrophobicContact CD1-CG2 3.67Å; I184-V191 HydrophobicContact CG1-CG2 3.92Å
192	C	93.3	Very high	91.1	Very high	11 Å²	11	60 Å²	60	7%	0.074	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.6	-180	-67.2	0	0	0	0	112.4	C175 I180 P201	C175-C192 WeakPolarHBondContact CA-SG 3.1Å; C175-C192 HydrophobicContact CB-CB 3.8Å; C175-C192 WeakPolarHBondContact CB-SG 3.37Å; C175-C192 WeakPolarHBondContact SG-CA 3.2Å; C175-C192 WeakPolarHBondContact SG-CB 3.48Å; C175-C192 CovalentContact SG-SG 2.02Å; C175-C192 PolarHBondContact SG-SG 3.05Å; I180-C192 WeakPolarHBondContact O-CA 3.44Å; C192-P201 WeakPolarHBondContact CB-O 3.47Å
193	Y	93.8	Very high	90.9	Very high	106 Å²	106	56.1 Å²	56.1	42%	0.416	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120	162	177.4	-100.3	0	0	0	109.2	I145 G179 I180	I145-Y193 HydrophobicContact CB-CD2 4.07Å; I145-Y193 HydrophobicContact CB-CG 4.42Å; I145-Y193 HydrophobicContact CG2-CD2 3.97Å; I145-Y193 HydrophobicContact CG2-CG 4.28Å; G179-Y193 CarbonylContact C-O 3.44Å; G179-Y193 VanDerWaalsContact CA-O 3.23Å; G179-Y193 WeakPolarHBondContact CA-O 3.29Å; I180-Y193 HydrophobicContact CD1-CD1 4.16Å; I180-Y193 PolarHBondContact N-O 3.01Å; I180-Y193 PolarHBondContact O-N 2.7Å
194	C	92.8	Very high	90.6	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.135	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-90.2	143.1	-177.1	-52.6	0	0	0	0	111.5	Y198 C203	C194-Y198 WeakPolarHBondContact CB-O 3.19Å; C194-C203 WeakPolarHBondContact CA-SG 3.03Å; C194-C203 HydrophobicContact CB-CB 3.74Å; C194-C203 WeakPolarHBondContact CB-SG 3.11Å; C194-C203 PolarHBondContact N-SG 2.05Å; C194-C203 WeakPolarHBondContact SG-CA 3.06Å; C194-C203 WeakPolarHBondContact SG-CB 3.35Å; C194-C203 CovalentContact SG-SG 2.04Å; C194-C203 PolarHBondContact SG-SG 3.15Å
195	R	92.3	Very high	90.6	Very high	130 Å²	130	54.5 Å²	54.5	49%	0.491	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-70	158.3	169.8	-67.5	-173.5	-179.6	-165.5	3.7	110.2	Q178 G197 Y198	Q178-R195 PolarHBondContact O-NE 2.72Å; R195-G197 PolarHBondContact O-N 3.47Å; R195-Y198 HydrophobicContact CB-CD2 4.23Å; R195-Y198 PolarHBondContact O-N 3.34Å
196	N	90.8	Very high	90.7	Very high	152 Å²	152	52.5 Å²	52.5	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	135.8	175.6	-68.3	-4.6	0	0	0	111.3	Y198	N196-Y198 VanDerWaalsContact C-N 3.34Å
197	G	89.1	Confident	90.7	Very high	24 Å²	24	50.3 Å²	50.3	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-9.9	-176	0	0	0	0	0	115.1	R195 P207	R195-G197 PolarHBondContact O-N 3.47Å; G197-P207 WeakPolarHBondContact O-CD 3.06Å
198	Y	92.7	Very high	90.7	Very high	94 Å²	94	55 Å²	55	37%	0.369	29%	0.285	S	S	.	.			trans	-114.5	152.1	177.2	-59.2	-84	0	0	0	112	N177 C194 R195 N196 L205 V206	N177-Y198 HydrophobicContact CB-CD1 3.54Å; N177-Y198 HydrophobicContact CB-CD2 4.12Å; N177-Y198 HydrophobicContact CB-CE1 3.51Å; N177-Y198 HydrophobicContact CB-CE2 4.1Å; N177-Y198 HydrophobicContact CB-CG 3.85Å; N177-Y198 VanDerWaalsContact CG-CD1 3.46Å; N177-Y198 VanDerWaalsContact ND2-CD1 3.27Å; N177-Y198 WeakPolarHBondContact ND2-CD1 3.34Å; N177-Y198 WeakPolarHBondContact ND2-CE1 3.34Å; C194-Y198 WeakPolarHBondContact CB-O 3.19Å; R195-Y198 HydrophobicContact CB-CD2 4.23Å; R195-Y198 PolarHBondContact O-N 3.34Å; N196-Y198 VanDerWaalsContact C-N 3.34Å; Y198-L205 CarbonylContact C-O 3.45Å; Y198-L205 VanDerWaalsContact CA-O 3.27Å; Y198-L205 WeakPolarHBondContact CA-O 3.43Å; Y198-V206 HydrophobicContact CD1-CG2 3.84Å; Y198-V206 HydrophobicContact CE1-CG2 3.83Å
199	G	91.1	Very high	90.9	Very high	4 Å²	4	55 Å²	55	4%	0.041	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-155	-172.3	176.2	0	0	0	0	0	113	C203 S204 L205	G199-C203 CarbonylContact O-C 3.54Å; G199-C203 VanDerWaalsContact O-CA 3.27Å; G199-C203 WeakPolarHBondContact O-CA 3.46Å; G199-S204 PolarHBondContact O-N 3.01Å; G199-L205 PolarHBondContact N-O 2.88Å; G199-L205 VanDerWaalsContact O-CB 3.24Å; G199-L205 WeakPolarHBondContact O-CB 3.09Å; G199-L205 PolarHBondContact O-N 3.46Å
200	G	89.4	Confident	90.9	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	29%	0.287	C	S	.	.	S	Bend	trans	90.2	163.2	-173.2	0	0	0	0	0	112.6	S131 D202 C203	S131-G200 PolarHBondContact O-N 2.9Å; G200-D202 PolarHBondContact O-N 2.86Å; G200-D202 VanDerWaalsContact O-N 3.1Å; G200-C203 PolarHBondContact O-N 3.32Å; G200-C203 VanDerWaalsContact O-N 3.1Å
201	P	87.1	Confident	90.8	Very high	59 Å²	59	54.6 Å²	54.6	38%	0.383	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.3	-176.3	-26.2	35	0	0	0	115.1	H132 C192	H132-P201 HydrophobicContact CB-CG 4.19Å; C192-P201 WeakPolarHBondContact CB-O 3.47Å
202	D	88.1	Confident	90.6	Very high	42 Å²	42	55.7 Å²	55.7	23%	0.225	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	11	-179.7	73.4	-25.4	0	0	0	113.2	K176 G200 S204	K176-D202 WeakPolarHBondContact CB-O 3.34Å; K176-D202 PolarHBondContact N-O 3.08Å; G200-D202 PolarHBondContact O-N 2.86Å; G200-D202 VanDerWaalsContact O-N 3.1Å; D202-S204 PolarHBondContact O-N 2.85Å; D202-S204 WeakPolarHBondContact OD1-CB 3.42Å; D202-S204 PolarHBondContact OD1-N 2.78Å; D202-S204 VanDerWaalsContact OD1-N 3.1Å; D202-S204 PolarHBondContact OD1-OG 3.22Å; D202-S204 WeakPolarHBondContact OD2-CB 3.14Å; D202-S204 PolarHBondContact OD2-OG 2.87Å
203	C	90.8	Very high	90.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	61.2	22.6	-175.9	-48.7	0	0	0	0	115.2	K176 N177 C194 G199 G200	K176-C203 WeakPolarHBondContact O-CB 3.48Å; N177-C203 PolarHBondContact ND2-O 2.78Å; C194-C203 WeakPolarHBondContact CA-SG 3.03Å; C194-C203 HydrophobicContact CB-CB 3.74Å; C194-C203 WeakPolarHBondContact CB-SG 3.11Å; C194-C203 PolarHBondContact N-SG 2.05Å; C194-C203 WeakPolarHBondContact SG-CA 3.06Å; C194-C203 WeakPolarHBondContact SG-CB 3.35Å; C194-C203 CovalentContact SG-SG 2.04Å; C194-C203 PolarHBondContact SG-SG 3.15Å; G199-C203 CarbonylContact O-C 3.54Å; G199-C203 VanDerWaalsContact O-CA 3.27Å; G199-C203 WeakPolarHBondContact O-CA 3.46Å; G200-C203 PolarHBondContact O-N 3.32Å; G200-C203 VanDerWaalsContact O-N 3.1Å
204	S	89	Confident	89.6	Confident	13 Å²	13	62.9 Å²	62.9	9%	0.091	33%	0.326	C	S	.	.			trans	-80.8	-16.1	179.2	63.4	0	0	0	0	114.5	G199 D202 R220	G199-S204 PolarHBondContact O-N 3.01Å; D202-S204 PolarHBondContact O-N 2.85Å; D202-S204 WeakPolarHBondContact OD1-CB 3.42Å; D202-S204 PolarHBondContact OD1-N 2.78Å; D202-S204 VanDerWaalsContact OD1-N 3.1Å; D202-S204 PolarHBondContact OD1-OG 3.22Å; D202-S204 WeakPolarHBondContact OD2-CB 3.14Å; D202-S204 PolarHBondContact OD2-OG 2.87Å; S204-R220 WeakPolarHBondContact O-CB 3.45Å
205	L	91.8	Very high	88.6	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-89.4	149.7	-175.9	-51.6	178.8	0	0	0	111.5	L133 Y198 G199 F262	L133-L205 HydrophobicContact CB-CD1 4.47Å; L133-L205 HydrophobicContact CD1-CB 4.17Å; L133-L205 HydrophobicContact CD1-CD1 3.9Å; Y198-L205 CarbonylContact C-O 3.45Å; Y198-L205 VanDerWaalsContact CA-O 3.27Å; Y198-L205 WeakPolarHBondContact CA-O 3.43Å; G199-L205 PolarHBondContact N-O 2.88Å; G199-L205 VanDerWaalsContact O-CB 3.24Å; G199-L205 WeakPolarHBondContact O-CB 3.09Å; G199-L205 PolarHBondContact O-N 3.46Å; L205-F262 HydrophobicContact CD1-CD2 3.96Å; L205-F262 HydrophobicContact CD1-CE2 3.58Å; L205-F262 HydrophobicContact CD2-CD2 4.11Å
206	V	93.3	Very high	88.1	Confident	33 Å²	33	59.6 Å²	59.6	20%	0.2	31%	0.311	C	S	.	.			trans	-128.1	85.5	178	-170.3	0	0	0	0	108.5	Y198 E208 T209 R220	Y198-V206 HydrophobicContact CD1-CG2 3.84Å; Y198-V206 HydrophobicContact CE1-CG2 3.83Å; V206-E208 PolarHBondContact O-N 3.05Å; V206-E208 VanDerWaalsContact O-N 3.16Å; V206-T209 WeakPolarHBondContact CB-OG1 3.11Å; V206-T209 WeakPolarHBondContact CG1-OG1 3.12Å; V206-T209 WeakPolarHBondContact O-CB 3.45Å; V206-T209 PolarHBondContact O-N 2.94Å; V206-T209 PolarHBondContact O-OG1 3.32Å; V206-R220 HydrophobicContact CB-CB 4.43Å; V206-R220 HydrophobicContact CG2-CB 4.02Å; V206-R220 PolarHBondContact N-O 3.19Å
207	P	90.6	Very high	87.6	Confident	40 Å²	40	55.9 Å²	55.9	26%	0.26	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.2	-171.1	-29	39.4	0	0	0	114.3	L133 G197 T209 I222	L133-P207 HydrophobicContact CD1-CB 4.47Å; L133-P207 HydrophobicContact CD1-CG 3.43Å; L133-P207 VanDerWaalsContact CD1-CG 3.43Å; L133-P207 HydrophobicContact CD2-CG 4.31Å; L133-P207 HydrophobicContact CG-CG 4.5Å; G197-P207 WeakPolarHBondContact O-CD 3.06Å; P207-T209 PolarHBondContact O-N 2.87Å; P207-I222 HydrophobicContact CB-CD1 4.23Å; P207-I222 HydrophobicContact CB-CG2 4.42Å; P207-I222 HydrophobicContact CG-CG2 4.47Å
208	E	89.2	Confident	87.3	Confident	150 Å²	150	57.6 Å²	57.6	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.7	-179.8	-62.3	179.9	-172.4	0	0	113.1	V206 K210	V206-E208 PolarHBondContact O-N 3.05Å; V206-E208 VanDerWaalsContact O-N 3.16Å; E208-K210 PolarHBondContact O-N 2.91Å
209	T	91.1	Very high	87.3	Confident	49 Å²	49	53.3 Å²	53.3	30%	0.301	30%	0.295	S	S	.	.			trans	-75	98.5	-179.2	-59.3	0	0	0	0	111.2	V206 P207 C211 Y219	V206-T209 WeakPolarHBondContact CB-OG1 3.11Å; V206-T209 WeakPolarHBondContact CG1-OG1 3.12Å; V206-T209 WeakPolarHBondContact O-CB 3.45Å; V206-T209 PolarHBondContact O-N 2.94Å; V206-T209 PolarHBondContact O-OG1 3.32Å; P207-T209 PolarHBondContact O-N 2.87Å; T209-C211 VanDerWaalsContact CG2-O 3.22Å; T209-C211 WeakPolarHBondContact CG2-O 3.4Å; T209-Y219 HydrophobicContact CG2-CD2 3.93Å; T209-Y219 HydrophobicContact CG2-CE2 3.81Å
210	K	87.2	Confident	87.4	Confident	172 Å²	172	55.3 Å²	55.3	75%	0.748	30%	0.301	S	S	*	.			trans	-86.4	-17.2	-179.8	-64.7	-177.1	-178.7	-179.4	0	115.1	E208 P290	E208-K210 PolarHBondContact O-N 2.91Å; K210-P290 WeakPolarHBondContact O-CD 3.43Å; K210-P290 WeakPolarHBondContact O-CG 3.34Å
211	C	89.9	Confident	87.5	Confident	38 Å²	38	55.3 Å²	55.3	26%	0.257	30%	0.301	S	S	.	.	S	Bend	trans	-134.8	161.3	-175.8	61.8	0	0	0	0	111.5	T209 P290 C292	T209-C211 VanDerWaalsContact CG2-O 3.22Å; T209-C211 WeakPolarHBondContact CG2-O 3.4Å; C211-P290 CarbonylContact C-O 3.53Å; C211-P290 WeakPolarHBondContact CA-O 3.32Å; C211-P290 HydrophobicContact CB-CG 4.18Å; C211-P290 WeakPolarHBondContact CB-O 3.31Å; C211-C292 HydrophobicContact CB-CB 3.97Å; C211-C292 WeakPolarHBondContact CB-SG 3.47Å; C211-C292 PolarHBondContact O-SG 2.91Å; C211-C292 VanDerWaalsContact O-SG 3.38Å; C211-C292 WeakPolarHBondContact SG-CA 3.47Å; C211-C292 WeakPolarHBondContact SG-CB 3.44Å; C211-C292 CovalentContact SG-SG 2.04Å; C211-C292 PolarHBondContact SG-SG 2.82Å
212	Y	90.2	Very high	87.8	Confident	29 Å²	29	55.7 Å²	55.7	11%	0.114	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-103.4	146.2	174.8	74.1	-90.8	0	0	0	111.8	S214 K271 P272 V289 P290 S291 C292	Y212-S214 VanDerWaalsContact CE2-O 3.28Å; Y212-S214 WeakPolarHBondContact CE2-O 3.24Å; Y212-K271 HydrophobicContact CE1-CB 3.85Å; Y212-K271 HydrophobicContact CE1-CD 4.28Å; Y212-K271 HydrophobicContact CE2-CB 3.86Å; Y212-K271 VanDerWaalsContact CZ-CB 3.45Å; Y212-K271 WeakPolarHBondContact OH-CB 3.2Å; Y212-P272 HydrophobicContact CD1-CG 4.19Å; Y212-P272 HydrophobicContact CG-CG 4.03Å; Y212-V289 HydrophobicContact CD1-CB 4.05Å; Y212-V289 HydrophobicContact CD1-CG1 3.83Å; Y212-V289 WeakPolarHBondContact CD1-O 3.12Å; Y212-V289 WeakPolarHBondContact CE1-O 3.32Å; Y212-P290 WeakPolarHBondContact CD1-O 3.44Å; Y212-P290 PolarHBondContact N-O 2.81Å; Y212-S291 WeakPolarHBondContact O-CA 3.39Å; Y212-C292 VanDerWaalsContact C-SG 3.58Å; Y212-C292 PolarHBondContact O-N 2.89Å; Y212-C292 PolarHBondContact O-SG 2.91Å
213	K	84.2	Confident	88.1	Confident	163 Å²	163	55.4 Å²	55.4	71%	0.709	30%	0.299	S	S	*	.			trans	-99.4	147.5	174.1	-64.1	-178.1	-179.2	-179.7	0	110.5	R215 G216 C292	K213-R215 PolarHBondContact O-N 2.98Å; K213-R215 VanDerWaalsContact O-N 3.12Å; K213-G216 PolarHBondContact O-N 3.19Å; K213-C292 HydrophobicContact CG-CB 4.01Å
214	S	81.7	Confident	88.1	Confident	106 Å²	106	56.2 Å²	56.2	74%	0.741	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-114.7	-179.2	-179.7	0	0	0	0	110.9	Y212	Y212-S214 VanDerWaalsContact CE2-O 3.28Å; Y212-S214 WeakPolarHBondContact CE2-O 3.24Å
215	R	72.1	Confident	88.1	Confident	78 Å²	78	58.4 Å²	58.4	29%	0.294	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.4	174.6	-72.3	-177.4	172.4	-134.3	-9	114.2	K213 N265 G268 D269 K271	K213-R215 PolarHBondContact O-N 2.98Å; K213-R215 VanDerWaalsContact O-N 3.12Å; R215-N265 PolarHBondContact O-ND2 3.41Å; R215-G268 PolarHBondContact NH1-O 3.48Å; R215-D269 WeakPolarHBondContact CB-O 3.49Å; R215-D269 WeakPolarHBondContact CD-O 3.36Å; R215-K271 WeakPolarHBondContact O-CA 3.47Å
216	G	81.5	Confident	87.6	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.021	32%	0.319	C	S	.	.	S	Bend	trans	78.1	18.5	-179.8	0	0	0	0	0	115.4	K213 G218 Y219	K213-G216 PolarHBondContact O-N 3.19Å; G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 2.74Å; G216-Y219 WeakPolarHBondContact O-CB 3.1Å; G216-Y219 PolarHBondContact O-N 2.99Å
217	T	78.9	Confident	87.2	Confident	75 Å²	75	60.4 Å²	60.4	46%	0.46	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-36.3	172.5	50.9	0	0	0	0	112.7	Y219 R220	T217-Y219 VanDerWaalsContact C-N 3.32Å; T217-R220 PolarHBondContact O-NH1 3.48Å
218	G	84.3	Confident	86.5	Confident	59 Å²	59	62.1 Å²	62.1	61%	0.608	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5	172.7	0	0	0	0	0	114.3	G216 R220	G216-G218 VanDerWaalsContact C-N 3.26Å; G216-G218 PolarHBondContact O-N 2.74Å; G218-R220 PolarHBondContact O-N 3.19Å
219	Y	91.3	Very high	86	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.02	33%	0.332	C	S	.	.			trans	-65.8	126.9	179.7	-179.2	-103.6	0	0	0	110.1	T209 G216 T217 G221 V223 C263 P272 V289	T209-Y219 HydrophobicContact CG2-CD2 3.93Å; T209-Y219 HydrophobicContact CG2-CE2 3.81Å; G216-Y219 WeakPolarHBondContact O-CB 3.1Å; G216-Y219 PolarHBondContact O-N 2.99Å; T217-Y219 VanDerWaalsContact C-N 3.32Å; Y219-G221 WeakPolarHBondContact OH-CA 3.07Å; Y219-V223 WeakPolarHBondContact OH-CG2 3.47Å; Y219-C263 WeakPolarHBondContact CD1-O 3.29Å; Y219-C263 HydrophobicContact CE1-CB 4.49Å; Y219-P272 HydrophobicContact CD1-CB 4.2Å; Y219-P272 HydrophobicContact CD1-CG 3.98Å; Y219-P272 HydrophobicContact CG-CG 4.01Å; Y219-V289 HydrophobicContact CD2-CG1 4.24Å; Y219-V289 HydrophobicContact CE1-CG1 4.35Å; Y219-V289 HydrophobicContact CE1-CG2 4.11Å; Y219-V289 HydrophobicContact CE2-CG1 3.59Å
220	R	93.1	Very high	85.2	Confident	46 Å²	46	56.4 Å²	56.4	17%	0.174	33%	0.328	C	S	.	.			trans	-129.2	18.7	-179.5	-63.9	-64.1	177.4	-83.8	0.3	112.4	S204 V206 T217 G218 L254	S204-R220 WeakPolarHBondContact O-CB 3.45Å; V206-R220 HydrophobicContact CB-CB 4.43Å; V206-R220 HydrophobicContact CG2-CB 4.02Å; V206-R220 PolarHBondContact N-O 3.19Å; T217-R220 PolarHBondContact O-NH1 3.48Å; G218-R220 PolarHBondContact O-N 3.19Å; R220-L254 PolarHBondContact NH2-O 3.45Å
221	G	93.3	Very high	85	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.315	C	S	.	.			trans	-71.9	-179	175.9	0	0	0	0	0	113	Y219 R264	Y219-G221 WeakPolarHBondContact OH-CA 3.07Å; G221-R264 PolarHBondContact O-NH1 3.42Å; G221-R264 PolarHBondContact O-NH2 3.06Å
222	I	93.3	Very high	84.8	Confident	68 Å²	68	52.9 Å²	52.9	35%	0.349	31%	0.306	S	S	.	.			trans	-111.4	14.7	-169.1	60	166.8	0	0	0	114	L133 P207 G224 F262	L133-I222 HydrophobicContact CD1-CG2 4.12Å; P207-I222 HydrophobicContact CB-CD1 4.23Å; P207-I222 HydrophobicContact CB-CG2 4.42Å; P207-I222 HydrophobicContact CG-CG2 4.47Å; I222-G224 PolarHBondContact O-N 2.76Å; I222-F262 VanDerWaalsContact C-CD1 3.43Å; I222-F262 HydrophobicContact CB-CD1 4.05Å; I222-F262 HydrophobicContact CB-CE1 3.89Å; I222-F262 HydrophobicContact CB-CE2 4.38Å; I222-F262 HydrophobicContact CB-CG 4.36Å; I222-F262 HydrophobicContact CB-CZ 4.07Å; I222-F262 HydrophobicContact CG2-CD2 4.27Å; I222-F262 HydrophobicContact CG2-CE1 4.4Å; I222-F262 HydrophobicContact CG2-CE2 4.01Å; I222-F262 HydrophobicContact CG2-CZ 4.08Å; I222-F262 WeakPolarHBondContact O-CD1 3.45Å; I222-F262 WeakPolarHBondContact O-CE1 3.28Å
223	V	92.9	Very high	84.4	Confident	36 Å²	36	52.7 Å²	52.7	22%	0.218	31%	0.307	C	S	.	.			trans	-66	125.3	174.1	175.5	0	0	0	0	108.6	Y219 F262 C263 V289	Y219-V223 WeakPolarHBondContact OH-CG2 3.47Å; V223-F262 CarbonylContact O-C 3.54Å; V223-F262 VanDerWaalsContact O-CA 3.29Å; V223-F262 WeakPolarHBondContact O-CA 3.38Å; V223-C263 WeakPolarHBondContact O-CB 3.2Å; V223-C263 PolarHBondContact O-N 3.01Å; V223-C263 PolarHBondContact O-SG 3.16Å; V223-V289 HydrophobicContact CB-CG2 3.76Å; V223-V289 HydrophobicContact CG1-CG2 3.76Å; V223-V289 HydrophobicContact CG2-CG2 4.08Å
224	G	91.5	Very high	84.4	Confident	16 Å²	16	47.2 Å²	47.2	17%	0.165	29%	0.288	C	S	.	.			trans	-124	25.9	-178.6	0	0	0	0	0	113.4	I222 C232	I222-G224 PolarHBondContact O-N 2.76Å; G224-C232 WeakPolarHBondContact O-CB 3.26Å; G224-C232 PolarHBondContact O-N 3.28Å; G224-C232 PolarHBondContact O-SG 3.38Å
225	T	89.5	Confident	84.1	Confident	60 Å²	60	42.7 Å²	42.7	37%	0.368	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-127.8	138.1	-178.1	50.7	0	0	0	0	111.9	C287 S288	T225-C287 WeakPolarHBondContact O-CA 3.29Å; T225-S288 PolarHBondContact O-N 2.97Å
226	A	81.7	Confident	84.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-74.2	170.1	174.3	0	0	0	0	0	112.4	S228 G229 A230 T276 E285 Y286 S288	A226-S228 VanDerWaalsContact C-N 3.32Å; A226-S228 PolarHBondContact O-N 2.87Å; A226-G229 PolarHBondContact O-N 3.17Å; A226-G229 VanDerWaalsContact O-N 3.11Å; A226-A230 HydrophobicContact CB-CB 4.11Å; A226-A230 WeakPolarHBondContact CB-O 3.3Å; A226-A230 PolarHBondContact N-O 3.25Å; A226-T276 HydrophobicContact CB-CG2 4.08Å; A226-E285 HydrophobicContact CB-CB 3.81Å; A226-E285 HydrophobicContact CB-CG 4Å; A226-E285 WeakPolarHBondContact CB-OE2 3.43Å; A226-Y286 CarbonylContact C-O 3.51Å; A226-Y286 WeakPolarHBondContact CA-O 3.46Å; A226-S288 PolarHBondContact O-OG 2.85Å
227	E	83.5	Confident	83.8	Confident	76 Å²	76	43.8 Å²	43.8	36%	0.355	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.3	174.5	-73	-167.5	146.3	0	0	113.4	G229 K271 Y286 S288 R337	E227-G229 PolarHBondContact O-N 3.26Å; E227-K271 IonicContact OE1-NZ 2.84Å; E227-K271 PolarHBondContact OE1-NZ 2.93Å; E227-Y286 PolarHBondContact N-O 2.67Å; E227-S288 VanDerWaalsContact CA-OG 3.32Å; E227-S288 WeakPolarHBondContact CA-OG 3.49Å; E227-R337 IonicContact OE2-NH1 3.84Å
228	S	75.5	Confident	83.3	Confident	77 Å²	77	43.6 Å²	43.6	54%	0.538	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.3	173.6	65	0	0	0	0	113.6	A226 A230 E285	A226-S228 VanDerWaalsContact C-N 3.32Å; A226-S228 PolarHBondContact O-N 2.87Å; S228-A230 VanDerWaalsContact C-N 3.31Å; S228-A230 VanDerWaalsContact OG-CB 3.27Å; S228-A230 WeakPolarHBondContact OG-CB 3.27Å; S228-A230 PolarHBondContact OG-N 2.73Å; S228-A230 VanDerWaalsContact OG-N 3.12Å; S228-E285 WeakPolarHBondContact CB-OE1 3.29Å; S228-E285 WeakPolarHBondContact CB-OE2 3.31Å; S228-E285 PolarHBondContact N-OE1 3.06Å; S228-E285 VanDerWaalsContact OG-CD 3.3Å; S228-E285 PolarHBondContact OG-OE1 2.77Å; S228-E285 PolarHBondContact OG-OE2 2.93Å
229	G	79.9	Confident	82.4	Confident	52 Å²	52	41.3 Å²	41.3	54%	0.536	24%	0.238	S	C	.	.	S	Bend	trans	85.4	-1.3	-167.8	0	0	0	0	0	113.9	A226 E227	A226-G229 PolarHBondContact O-N 3.17Å; A226-G229 VanDerWaalsContact O-N 3.11Å; E227-G229 PolarHBondContact O-N 3.26Å
230	A	73.3	Confident	81.1	Confident	26 Å²	26	41.1 Å²	41.1	22%	0.215	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.4	143.1	173.9	0	0	0	0	0	111.6	A226 S228 T276	A226-A230 HydrophobicContact CB-CB 4.11Å; A226-A230 WeakPolarHBondContact CB-O 3.3Å; A226-A230 PolarHBondContact N-O 3.25Å; S228-A230 VanDerWaalsContact C-N 3.31Å; S228-A230 VanDerWaalsContact OG-CB 3.27Å; S228-A230 WeakPolarHBondContact OG-CB 3.27Å; S228-A230 PolarHBondContact OG-N 2.73Å; S228-A230 VanDerWaalsContact OG-N 3.12Å; A230-T276 HydrophobicContact CB-CG2 3.98Å
231	R	83.8	Confident	79.4	Confident	127 Å²	127	44 Å²	44	48%	0.479	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-78.5	138.2	176.3	-61.4	-171.9	78.1	108.1	6.4	110.2	E115	E115-R231 VanDerWaalsContact CG-NH2 3.26Å; E115-R231 IonicContact OE1-CZ 3.64Å; E115-R231 IonicContact OE1-NE 3.72Å; E115-R231 IonicContact OE1-NH2 2.72Å; E115-R231 PolarHBondContact OE1-NH2 3.39Å; E115-R231 IonicContact OE2-NH2 3.61Å
232	C	86.1	Confident	77.4	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.061	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-71.6	149.2	175.4	-64.2	0	0	0	0	111.8	G224 A261 C274 Y275	G224-C232 WeakPolarHBondContact O-CB 3.26Å; G224-C232 PolarHBondContact O-N 3.28Å; G224-C232 PolarHBondContact O-SG 3.38Å; C232-A261 HydrophobicContact CB-CB 3.99Å; C232-A261 WeakPolarHBondContact CB-O 3.41Å; C232-A261 VanDerWaalsContact O-CB 3.3Å; C232-A261 WeakPolarHBondContact O-CB 3.27Å; C232-C274 VanDerWaalsContact CA-SG 3.52Å; C232-C274 HydrophobicContact CB-CB 3.48Å; C232-C274 VanDerWaalsContact CB-CB 3.48Å; C232-C274 WeakPolarHBondContact CB-SG 3.44Å; C232-C274 WeakPolarHBondContact SG-CB 3.28Å; C232-C274 CovalentContact SG-SG 2.01Å; C232-C274 PolarHBondContact SG-SG 2.77Å; C232-Y275 CarbonylContact C-O 3.56Å; C232-Y275 VanDerWaalsContact CA-O 3.31Å; C232-Y275 WeakPolarHBondContact CA-O 3.33Å
233	L	81.5	Confident	75.7	Confident	26 Å²	26	44.8 Å²	44.8	14%	0.136	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-85.6	144.3	170.1	-72	174.8	0	0	0	110.6	W235 L240 Y275 V277 I282	L233-W235 PolarHBondContact O-N 3.33Å; L233-L240 HydrophobicContact CB-CD1 4.26Å; L233-L240 HydrophobicContact CD1-CD2 3.93Å; L233-Y275 PolarHBondContact N-O 3.05Å; L233-V277 HydrophobicContact CD1-CG2 3.82Å; L233-V277 HydrophobicContact CD2-CG2 3.96Å; L233-V277 HydrophobicContact CG-CG2 4.18Å; L233-I282 HydrophobicContact CD1-CG2 4.49Å
234	P	83.1	Confident	73.7	Confident	48 Å²	48	44.5 Å²	44.5	31%	0.312	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-58.7	135.4	171.8	-23.7	34	0	0	0	112.2	N236 S237 L240 H260 A261	P234-N236 WeakPolarHBondContact CB-OD1 3.45Å; P234-N236 PolarHBondContact O-N 3.47Å; P234-N236 VanDerWaalsContact O-N 3.15Å; P234-S237 WeakPolarHBondContact O-CB 3.49Å; P234-S237 PolarHBondContact O-N 3.22Å; P234-L240 VanDerWaalsContact O-CD1 3.26Å; P234-L240 WeakPolarHBondContact O-CD1 2.98Å; P234-H260 WeakPolarHBondContact CA-O 3.4Å; P234-A261 HydrophobicContact CG-CB 4.43Å
235	W	75.2	Confident	71.4	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.038	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	-177.6	-65.6	99.3	0	0	0	114.3	L233 L244 L257 G258 H260 F262 R264 P266 W273 C274 Y275	L233-W235 PolarHBondContact O-N 3.33Å; W235-L244 HydrophobicContact CE3-CD2 4.32Å; W235-L244 WeakPolarHBondContact O-CD1 3.28Å; W235-L257 HydrophobicContact CB-CB 4.14Å; W235-L257 HydrophobicContact CD2-CD2 3.69Å; W235-L257 HydrophobicContact CE3-CD1 4.46Å; W235-L257 HydrophobicContact CE3-CD2 3.96Å; W235-L257 HydrophobicContact CG-CB 4.33Å; W235-L257 HydrophobicContact CG-CD2 3.98Å; W235-L257 HydrophobicContact CZ2-CD2 4.36Å; W235-L257 HydrophobicContact CZ3-CD2 4.39Å; W235-G258 WeakPolarHBondContact CB-O 3.05Å; W235-H260 AromaticContact CD1-CE1 3.76Å; W235-H260 AromaticContact CD1-ND1 3.73Å; W235-H260 VanDerWaalsContact CD1-O 3.24Å; W235-H260 PolarHBondContact N-O 3.04Å; W235-H260 VanDerWaalsContact N-O 3.12Å; W235-F262 PolarHBondContact NE1-O 3Å; W235-R264 HydrophobicContact CZ2-CB 3.77Å; W235-R264 HydrophobicContact CZ2-CG 4.28Å; W235-P266 HydrophobicContact CH2-CG 4.4Å; W235-P266 HydrophobicContact CZ3-CG 4.43Å; W235-W273 HydrophobicContact CH2-CD2 4.22Å; W235-W273 AromaticContact CH2-CE3 3.86Å; W235-W273 HydrophobicContact CH2-CE3 3.86Å; W235-W273 AromaticContact CH2-CH2 3.84Å; W235-W273 HydrophobicContact CH2-CH2 3.84Å; W235-W273 HydrophobicContact CH2-CZ2 4.2Å; W235-W273 AromaticContact CH2-CZ3 3.65Å; W235-W273 HydrophobicContact CH2-CZ3 3.65Å; W235-W273 WeakPolarHBondContact CZ2-O 3.14Å; W235-W273 AromaticContact CZ3-CH2 3.83Å; W235-W273 HydrophobicContact CZ3-CH2 3.83Å; W235-W273 HydrophobicContact CZ3-CZ2 4.44Å; W235-W273 AromaticContact CZ3-CZ3 3.89Å; W235-W273 HydrophobicContact CZ3-CZ3 3.89Å; W235-C274 HydrophobicContact CZ2-CB 4.29Å; W235-Y275 HydrophobicContact CE3-CD2 4.1Å; W235-Y275 HydrophobicContact CE3-CE2 4.21Å; W235-Y275 HydrophobicContact CH2-CD2 4.41Å; W235-Y275 AromaticContact CZ3-CD2 3.72Å; W235-Y275 HydrophobicContact CZ3-CD2 3.72Å; W235-Y275 AromaticContact CZ3-CE2 3.68Å; W235-Y275 HydrophobicContact CZ3-CE2 3.68Å
236	N	72.5	Confident	68.8	Low	76 Å²	76	51.3 Å²	51.3	41%	0.406	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7.5	173.1	73.3	-33.4	0	0	0	113.1	P234 D238 G258 E259	P234-N236 WeakPolarHBondContact CB-OD1 3.45Å; P234-N236 PolarHBondContact O-N 3.47Å; P234-N236 VanDerWaalsContact O-N 3.15Å; N236-D238 PolarHBondContact O-N 3.07Å; N236-G258 PolarHBondContact N-O 3.14Å; N236-E259 HydrophobicContact CB-CG 4.46Å; N236-E259 WeakPolarHBondContact ND2-CB 3.32Å; N236-E259 WeakPolarHBondContact ND2-CG 3.29Å; N236-E259 PolarHBondContact ND2-OE1 2.86Å; N236-E259 VanDerWaalsContact ND2-OE1 3.15Å; N236-E259 WeakPolarHBondContact OD1-CA 3.43Å
237	S	76.8	Confident	66.6	Low	27 Å²	27	53.9 Å²	53.9	19%	0.189	31%	0.306	C	S	.	.			trans	-61.8	131.7	-178.4	-179.5	0	0	0	0	110.7	P234 L239 L240	P234-S237 WeakPolarHBondContact O-CB 3.49Å; P234-S237 PolarHBondContact O-N 3.22Å; S237-L239 PolarHBondContact O-N 3.39Å; S237-L239 PolarHBondContact OG-N 3.11Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å
238	D	67.9	Low	64.6	Low	71 Å²	71	51.9 Å²	51.9	38%	0.38	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-54.6	-26.4	174.8	-82.5	-50.7	0	0	0	113.3	H63 N64 R67 N236 L240 F241	H63-D238 HydrophobicContact CB-CB 4.11Å; N64-D238 HydrophobicContact CB-CB 4.5Å; N64-D238 PolarHBondContact ND2-O 3.5Å; R67-D238 IonicContact CZ-OD1 3.09Å; R67-D238 IonicContact NH1-OD1 3.72Å; R67-D238 PolarHBondContact NH1-OD1 3.34Å; R67-D238 IonicContact NH2-OD1 3.91Å; R67-D238 PolarHBondContact NH2-OD1 2.9Å; R67-D238 VanDerWaalsContact NH2-OD1 3.09Å; N236-D238 PolarHBondContact O-N 3.07Å; D238-L240 PolarHBondContact O-N 3.47Å; D238-F241 PolarHBondContact O-N 2.93Å
239	L	65.8	Low	63.1	Low	12 Å²	12	52 Å²	52	6%	0.063	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.3	-29.7	177.2	-60	-178.6	0	0	0	112.4	P38 R40 L45 H63 S237 I282	P38-L239 HydrophobicContact CG-CD1 4.42Å; R40-L239 HydrophobicContact CB-CD2 4.26Å; R40-L239 PolarHBondContact NH1-O 2.02Å; R40-L239 VanDerWaalsContact NH1-O 3.17Å; L45-L239 HydrophobicContact CD1-CD1 4.43Å; L45-L239 HydrophobicContact CD2-CD1 4.09Å; L45-L239 HydrophobicContact CD2-CD2 3.67Å; L45-L239 HydrophobicContact CD2-CG 4.36Å; H63-L239 HydrophobicContact CB-CD2 4.01Å; H63-L239 WeakPolarHBondContact O-CD2 3.35Å; S237-L239 PolarHBondContact O-N 3.39Å; S237-L239 PolarHBondContact OG-N 3.11Å; L239-I282 HydrophobicContact CB-CD1 3.85Å; L239-I282 WeakPolarHBondContact O-CD1 3.32Å
240	L	62.3	Low	61.1	Low	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-90	4.3	-175.3	-59	-178.9	0	0	0	113.7	L233 P234 S237 D238 D242 E243 L244 Y275 I282	L233-L240 HydrophobicContact CB-CD1 4.26Å; L233-L240 HydrophobicContact CD1-CD2 3.93Å; P234-L240 VanDerWaalsContact O-CD1 3.26Å; P234-L240 WeakPolarHBondContact O-CD1 2.98Å; S237-L240 WeakPolarHBondContact O-CB 3.35Å; S237-L240 PolarHBondContact O-N 2.96Å; D238-L240 PolarHBondContact O-N 3.47Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.32Å; L240-E243 HydrophobicContact CD2-CG 4.48Å; L240-E243 CarbonylContact O-C 3.57Å; L240-E243 WeakPolarHBondContact O-CA 3.41Å; L240-E243 PolarHBondContact O-N 3.35Å; L240-L244 HydrophobicContact CB-CD1 3.57Å; L240-L244 HydrophobicContact CB-CG 4.03Å; L240-L244 HydrophobicContact CD1-CD1 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.49Å; L240-L244 WeakPolarHBondContact O-CG 3.24Å; L240-L244 PolarHBondContact O-N 2.82Å; L240-Y275 HydrophobicContact CD1-CD2 3.66Å; L240-Y275 HydrophobicContact CD1-CE2 4.41Å; L240-Y275 HydrophobicContact CD1-CG 4.09Å; L240-Y275 HydrophobicContact CD2-CD1 4Å; L240-Y275 HydrophobicContact CD2-CD2 3.88Å; L240-Y275 HydrophobicContact CD2-CG 3.57Å; L240-Y275 HydrophobicContact CG-CD2 4.35Å; L240-Y275 HydrophobicContact CG-CG 4.47Å; L240-I282 HydrophobicContact CD2-CD1 4.4Å; L240-I282 HydrophobicContact CD2-CG2 3.69Å
241	F	58.9	Low	59.9	Low	107 Å²	107	56.4 Å²	56.4	47%	0.469	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-45.9	-175.2	-178.4	-96	0	0	0	113.2	N64 R67 D238 E243 L244	N64-F241 WeakPolarHBondContact ND2-CB 3.49Å; R67-F241 HydrophobicContact CB-CD1 4.24Å; R67-F241 HydrophobicContact CB-CE1 4.46Å; R67-F241 HydrophobicContact CG-CD1 3.98Å; R67-F241 HydrophobicContact CG-CE1 3.8Å; R67-F241 HydrophobicContact CG-CZ 4.22Å; D238-F241 PolarHBondContact O-N 2.93Å; F241-E243 VanDerWaalsContact C-N 3.25Å; F241-E243 PolarHBondContact O-N 3.42Å; F241-L244 PolarHBondContact O-N 3.02Å
242	D	50.7	Low	58.8	Low	53 Å²	53	52.2 Å²	52.2	28%	0.283	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.1	179.3	-61.4	-20.5	0	0	0	112.7	R40 L240	R40-D242 IonicContact CZ-OD2 2.7Å; R40-D242 IonicContact NE-OD2 3.52Å; R40-D242 PolarHBondContact NE-OD2 3.01Å; R40-D242 IonicContact NH1-OD2 2.72Å; R40-D242 VanDerWaalsContact NH2-CB 3.32Å; R40-D242 IonicContact NH2-OD2 3.01Å; R40-D242 PolarHBondContact NH2-OD2 3.46Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-D242 PolarHBondContact O-N 3.32Å
243	E	56.9	Low	57.7	Low	31 Å²	31	54.1 Å²	54.1	15%	0.145	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-18.4	179.8	-45.2	-50	143.8	0	0	112	R40 L240 F241 Y275 I282	R40-E243 IonicContact CZ-OE1 2.71Å; R40-E243 IonicContact NH1-OE1 2.91Å; R40-E243 PolarHBondContact NH1-OE1 3.18Å; R40-E243 IonicContact NH2-OE1 3.81Å; R40-E243 PolarHBondContact NH2-OE1 3.02Å; L240-E243 HydrophobicContact CD2-CG 4.48Å; L240-E243 CarbonylContact O-C 3.57Å; L240-E243 WeakPolarHBondContact O-CA 3.41Å; L240-E243 PolarHBondContact O-N 3.35Å; F241-E243 VanDerWaalsContact C-N 3.25Å; F241-E243 PolarHBondContact O-N 3.42Å; E243-Y275 HydrophobicContact CB-CE1 3.84Å; E243-Y275 HydrophobicContact CB-CE2 4.44Å; E243-Y275 HydrophobicContact CG-CE1 4.26Å; E243-Y275 PolarHBondContact O-OH 3.48Å; E243-I282 HydrophobicContact CG-CG2 4.24Å
244	L	50.8	Low	56.9	Low	31 Å²	31	59.4 Å²	59.4	16%	0.162	34%	0.341	C	S	.	.	S	Bend	trans	-109.7	107.8	-175.1	-67.1	170.1	0	0	0	110.9	W235 L240 F241 T248 Y275	W235-L244 HydrophobicContact CE3-CD2 4.32Å; W235-L244 WeakPolarHBondContact O-CD1 3.28Å; L240-L244 HydrophobicContact CB-CD1 3.57Å; L240-L244 HydrophobicContact CB-CG 4.03Å; L240-L244 HydrophobicContact CD1-CD1 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.49Å; L240-L244 WeakPolarHBondContact O-CG 3.24Å; L240-L244 PolarHBondContact O-N 2.82Å; F241-L244 PolarHBondContact O-N 3.02Å; L244-T248 HydrophobicContact CD2-CG2 4.16Å; L244-Y275 HydrophobicContact CD2-CE2 4.07Å
245	H	44.8	Very low	56.2	Low	73 Å²	73	59.6 Å²	59.6	34%	0.338	34%	0.338	S	S	.	.			trans	-75.9	153.7	-177.9	-59.7	57.3	0	0	0	112.1	G247 T248 V249 A350	H245-G247 PolarHBondContact O-N 3.31Å; H245-T248 WeakPolarHBondContact O-CA 3.18Å; H245-T248 WeakPolarHBondContact O-CB 3.43Å; H245-T248 PolarHBondContact O-N 3.17Å; H245-V249 PolarHBondContact O-N 2.99Å; H245-V249 VanDerWaalsContact O-N 3.12Å; H245-A350 WeakPolarHBondContact CE1-CB 3.27Å; H245-A350 VanDerWaalsContact NE2-CB 3.35Å; H245-A350 WeakPolarHBondContact NE2-CB 3.34Å; H245-A350 PolarHBondContact NE2-N 3.39Å; H245-A350 VanDerWaalsContact NE2-N 3.16Å
246	L	33.8	Very low	56.1	Low	146 Å²	146	59.2 Å²	59.2	76%	0.764	34%	0.336	S	S	*	.	H	α-helix	trans	-48.6	-35	178	-78	154.9	0	0	0	114.4	V249 N250	L246-V249 PolarHBondContact O-N 2.94Å; L246-N250 PolarHBondContact O-N 3.49Å
247	G	35.1	Very low	56.5	Low	53 Å²	53	56.3 Å²	56.3	55%	0.546	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-29.4	175.9	0	0	0	0	0	114.5	H245 A251	H245-G247 PolarHBondContact O-N 3.31Å; G247-A251 PolarHBondContact O-N 2.85Å
248	T	42.3	Very low	56.4	Low	34 Å²	34	56.2 Å²	56.2	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-77.1	-32.1	172.9	-60.8	0	0	0	0	111	L244 H245 S252 L257	L244-T248 HydrophobicContact CD2-CG2 4.16Å; H245-T248 WeakPolarHBondContact O-CA 3.18Å; H245-T248 WeakPolarHBondContact O-CB 3.43Å; H245-T248 PolarHBondContact O-N 3.17Å; T248-S252 WeakPolarHBondContact O-CA 3.38Å; T248-S252 VanDerWaalsContact O-CB 3.32Å; T248-S252 WeakPolarHBondContact O-CB 3.45Å; T248-S252 PolarHBondContact O-N 3.15Å; T248-L257 HydrophobicContact CG2-CD1 3.38Å
249	V	44.6	Very low	56.8	Low	79 Å²	79	58.5 Å²	58.5	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-69.1	-45.7	175	-178.9	0	0	0	0	111.3	H245 L246 A251 S252	H245-V249 PolarHBondContact O-N 2.99Å; H245-V249 VanDerWaalsContact O-N 3.12Å; L246-V249 PolarHBondContact O-N 2.94Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.43Å; V249-S252 VanDerWaalsContact O-CB 3.28Å; V249-S252 WeakPolarHBondContact O-CB 3.26Å; V249-S252 PolarHBondContact O-N 3.05Å; V249-S252 PolarHBondContact O-OG 3.38Å
250	N	37.2	Very low	57.7	Low	144 Å²	144	59.1 Å²	59.1	77%	0.77	34%	0.335	S	S	*	.	H	α-helix	trans	-69	-26.6	179.7	-79.5	-6.3	0	0	0	114.1	L246	L246-N250 PolarHBondContact O-N 3.49Å
251	A	47.8	Very low	59	Low	27 Å²	27	59.6 Å²	59.6	22%	0.223	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	12.3	176.3	0	0	0	0	0	113.3	G247 V249 A253 L254 K255	G247-A251 PolarHBondContact O-N 2.85Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.43Å; A251-A253 PolarHBondContact O-N 2.66Å; A251-L254 WeakPolarHBondContact O-CB 3.15Å; A251-L254 PolarHBondContact O-N 3.33Å; A251-L254 VanDerWaalsContact O-N 3.13Å; A251-K255 HydrophobicContact CB-CD 4.41Å; A251-K255 WeakPolarHBondContact O-CG 3.42Å; A251-K255 PolarHBondContact O-N 2.04Å
252	S	61.1	Low	60.6	Low	40 Å²	40	55.7 Å²	55.7	28%	0.28	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-52.9	-172.3	51.3	0	0	0	0	112.2	T248 V249 L254 K255 G256 L257	T248-S252 WeakPolarHBondContact O-CA 3.38Å; T248-S252 VanDerWaalsContact O-CB 3.32Å; T248-S252 WeakPolarHBondContact O-CB 3.45Å; T248-S252 PolarHBondContact O-N 3.15Å; V249-S252 VanDerWaalsContact O-CB 3.28Å; V249-S252 WeakPolarHBondContact O-CB 3.26Å; V249-S252 PolarHBondContact O-N 3.05Å; V249-S252 PolarHBondContact O-OG 3.38Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 2.85Å; S252-K255 CarbonylContact O-C 3.46Å; S252-K255 PolarHBondContact O-N 2.88Å; S252-K255 VanDerWaalsContact O-N 3.13Å; S252-G256 PolarHBondContact O-N 2.77Å; S252-G256 VanDerWaalsContact O-N 3.09Å; S252-L257 CarbonylContact C-O 3.44Å; S252-L257 WeakPolarHBondContact O-CB 3.15Å; S252-L257 PolarHBondContact O-N 3.46Å
253	A	63	Low	62.5	Low	48 Å²	48	53.2 Å²	53.2	40%	0.397	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.8	178.8	0	0	0	0	0	113.2	A251 K255 G256	A251-A253 PolarHBondContact O-N 2.66Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.79Å; A253-G256 PolarHBondContact O-N 3.21Å
254	L	65.4	Low	64.1	Low	137 Å²	137	51.7 Å²	51.7	72%	0.717	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.3	176.6	-73	164.3	0	0	0	111.6	R220 A251 S252 G256	R220-L254 PolarHBondContact NH2-O 3.45Å; A251-L254 WeakPolarHBondContact O-CB 3.15Å; A251-L254 PolarHBondContact O-N 3.33Å; A251-L254 VanDerWaalsContact O-N 3.13Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 2.85Å; L254-G256 PolarHBondContact O-N 3.38Å
255	K	67.7	Low	65.4	Low	53 Å²	53	50.4 Å²	50.4	23%	0.23	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.3	177.6	-66.1	-177.5	175.2	-160	0	113.2	A251 S252 A253 L257 P266	A251-K255 HydrophobicContact CB-CD 4.41Å; A251-K255 WeakPolarHBondContact O-CG 3.42Å; A251-K255 PolarHBondContact O-N 2.04Å; S252-K255 CarbonylContact O-C 3.46Å; S252-K255 PolarHBondContact O-N 2.88Å; S252-K255 VanDerWaalsContact O-N 3.13Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.79Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 HydrophobicContact CB-CG 4.09Å; K255-P266 HydrophobicContact CB-CB 4.09Å; K255-P266 HydrophobicContact CD-CB 3.8Å; K255-P266 WeakPolarHBondContact CD-O 3.49Å; K255-P266 WeakPolarHBondContact CE-O 3.35Å; K255-P266 HydrophobicContact CG-CB 4.45Å; K255-P266 PolarHBondContact NZ-O 2.84Å
256	G	73.8	Confident	66.5	Low	1 Å²	1	47.8 Å²	47.8	1%	0.01	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	24.1	-178.6	0	0	0	0	0	113.1	S252 A253 L254 H260 R264	S252-G256 PolarHBondContact O-N 2.77Å; S252-G256 VanDerWaalsContact O-N 3.09Å; A253-G256 PolarHBondContact O-N 3.21Å; L254-G256 PolarHBondContact O-N 3.38Å; G256-H260 PolarHBondContact O-CE1 3.39Å; G256-H260 VanDerWaalsContact O-CE1 3.31Å; G256-H260 PolarHBondContact O-NE2 3.31Å; G256-H260 VanDerWaalsContact O-NE2 3.14Å; G256-R264 VanDerWaalsContact O-CD 3.3Å; G256-R264 WeakPolarHBondContact O-CD 3.12Å; G256-R264 PolarHBondContact O-NE 2.87Å
257	L	80.6	Confident	67.7	Low	15 Å²	15	44.1 Å²	44.1	8%	0.079	27%	0.265	C	S	.	.			trans	-86.2	145.3	171	-50.5	-174.2	0	0	0	108.8	W235 T248 S252 K255 R264 P266	W235-L257 HydrophobicContact CB-CB 4.14Å; W235-L257 HydrophobicContact CD2-CD2 3.69Å; W235-L257 HydrophobicContact CE3-CD1 4.46Å; W235-L257 HydrophobicContact CE3-CD2 3.96Å; W235-L257 HydrophobicContact CG-CB 4.33Å; W235-L257 HydrophobicContact CG-CD2 3.98Å; W235-L257 HydrophobicContact CZ2-CD2 4.36Å; W235-L257 HydrophobicContact CZ3-CD2 4.39Å; T248-L257 HydrophobicContact CG2-CD1 3.38Å; S252-L257 CarbonylContact C-O 3.44Å; S252-L257 WeakPolarHBondContact O-CB 3.15Å; S252-L257 PolarHBondContact O-N 3.46Å; K255-L257 VanDerWaalsContact C-N 3.27Å; K255-L257 HydrophobicContact CB-CG 4.09Å; L257-R264 HydrophobicContact CD2-CB 3.71Å; L257-R264 HydrophobicContact CD2-CG 3.8Å; L257-P266 HydrophobicContact CD1-CB 4Å; L257-P266 HydrophobicContact CD1-CG 4.38Å; L257-P266 HydrophobicContact CD2-CB 4.01Å; L257-P266 HydrophobicContact CD2-CG 4.1Å; L257-P266 HydrophobicContact CG-CB 4.28Å
258	G	73.4	Confident	68.7	Low	26 Å²	26	42.7 Å²	42.7	27%	0.268	25%	0.251	S	S	.	.	S	Bend	trans	-177.6	-159	-179.6	0	0	0	0	0	112.8	W235 N236 H260	W235-G258 WeakPolarHBondContact CB-O 3.05Å; N236-G258 PolarHBondContact N-O 3.14Å; G258-H260 PolarHBondContact O-N 3.12Å
259	E	76.8	Confident	69.5	Low	119 Å²	119	42.7 Å²	42.7	56%	0.556	25%	0.25	S	C	*	.	S	Bend	trans	-76	44.5	-178.7	-44	-157.9	123.2	0	0	113.4	R134 N236	R134-E259 IonicContact CZ-OE2 2.67Å; R134-E259 IonicContact NH1-OE2 2.75Å; R134-E259 PolarHBondContact NH1-OE2 3.15Å; R134-E259 IonicContact NH2-OE2 2.65Å; N236-E259 HydrophobicContact CB-CG 4.46Å; N236-E259 WeakPolarHBondContact ND2-CB 3.32Å; N236-E259 WeakPolarHBondContact ND2-CG 3.29Å; N236-E259 PolarHBondContact ND2-OE1 2.86Å; N236-E259 VanDerWaalsContact ND2-OE1 3.15Å; N236-E259 WeakPolarHBondContact OD1-CA 3.43Å
260	H	84.6	Confident	70.2	Confident	24 Å²	24	41.6 Å²	41.6	11%	0.111	24%	0.243	C	C	.	.	S	Bend	trans	-142.7	157.6	-179.1	66.2	55.5	0	0	0	110.7	P234 W235 G256 G258 F262 R264	P234-H260 WeakPolarHBondContact CA-O 3.4Å; W235-H260 AromaticContact CD1-CE1 3.76Å; W235-H260 AromaticContact CD1-ND1 3.73Å; W235-H260 VanDerWaalsContact CD1-O 3.24Å; W235-H260 PolarHBondContact N-O 3.04Å; W235-H260 VanDerWaalsContact N-O 3.12Å; G256-H260 PolarHBondContact O-CE1 3.39Å; G256-H260 VanDerWaalsContact O-CE1 3.31Å; G256-H260 PolarHBondContact O-NE2 3.31Å; G256-H260 VanDerWaalsContact O-NE2 3.14Å; G258-H260 PolarHBondContact O-N 3.12Å; H260-F262 HydrophobicContact CB-CD2 3.6Å; H260-F262 HydrophobicContact CB-CE2 3.71Å; H260-F262 HydrophobicContact CB-CG 4.25Å; H260-F262 HydrophobicContact CB-CZ 4.46Å; H260-F262 AromaticContact CD2-CD2 3.82Å; H260-F262 AromaticContact CG-CD2 3.42Å; H260-F262 VanDerWaalsContact CG-CD2 3.42Å; H260-F262 AromaticContact ND1-CD2 3.67Å; H260-F262 AromaticContact ND1-CG 3.9Å; H260-F262 PolarHBondContact ND1-N 2.86Å; H260-R264 VanDerWaalsContact CE1-CZ 3.49Å; H260-R264 PolarHBondContact CE1-NE 3.49Å; H260-R264 PolarHBondContact CE1-NH2 3.05Å; H260-R264 PolarHBondContact NE2-NH2 2.77Å
261	A	89.4	Confident	72	Confident	10 Å²	10	36.5 Å²	36.5	8%	0.083	21%	0.214	C	C	.	.			trans	-93.5	8.1	177.1	0	0	0	0	0	113.8	C232 P234	C232-A261 HydrophobicContact CB-CB 3.99Å; C232-A261 WeakPolarHBondContact CB-O 3.41Å; C232-A261 VanDerWaalsContact O-CB 3.3Å; C232-A261 WeakPolarHBondContact O-CB 3.27Å; P234-A261 HydrophobicContact CG-CB 4.43Å
262	F	92.2	Very high	73.8	Confident	26 Å²	26	35.2 Å²	35.2	11%	0.114	20%	0.203	C	C	.	.			trans	-66.9	142.5	-176.5	-50.6	-44.7	0	0	0	112.9	L133 L205 I222 V223 W235 H260 R264	L133-F262 HydrophobicContact CB-CZ 4.5Å; L205-F262 HydrophobicContact CD1-CD2 3.96Å; L205-F262 HydrophobicContact CD1-CE2 3.58Å; L205-F262 HydrophobicContact CD2-CD2 4.11Å; I222-F262 VanDerWaalsContact C-CD1 3.43Å; I222-F262 HydrophobicContact CB-CD1 4.05Å; I222-F262 HydrophobicContact CB-CE1 3.89Å; I222-F262 HydrophobicContact CB-CE2 4.38Å; I222-F262 HydrophobicContact CB-CG 4.36Å; I222-F262 HydrophobicContact CB-CZ 4.07Å; I222-F262 HydrophobicContact CG2-CD2 4.27Å; I222-F262 HydrophobicContact CG2-CE1 4.4Å; I222-F262 HydrophobicContact CG2-CE2 4.01Å; I222-F262 HydrophobicContact CG2-CZ 4.08Å; I222-F262 WeakPolarHBondContact O-CD1 3.45Å; I222-F262 WeakPolarHBondContact O-CE1 3.28Å; V223-F262 CarbonylContact O-C 3.54Å; V223-F262 VanDerWaalsContact O-CA 3.29Å; V223-F262 WeakPolarHBondContact O-CA 3.38Å; W235-F262 PolarHBondContact NE1-O 3Å; H260-F262 HydrophobicContact CB-CD2 3.6Å; H260-F262 HydrophobicContact CB-CE2 3.71Å; H260-F262 HydrophobicContact CB-CG 4.25Å; H260-F262 HydrophobicContact CB-CZ 4.46Å; H260-F262 AromaticContact CD2-CD2 3.82Å; H260-F262 AromaticContact CG-CD2 3.42Å; H260-F262 VanDerWaalsContact CG-CD2 3.42Å; H260-F262 AromaticContact ND1-CD2 3.67Å; H260-F262 AromaticContact ND1-CG 3.9Å; H260-F262 PolarHBondContact ND1-N 2.86Å; F262-R264 WeakPolarHBondContact O-CG 3.05Å
263	C	91.7	Very high	75	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.			trans	-60.5	135.4	-178.4	-62.5	0	0	0	0	112.6	Y219 V223 P272 C287 V289	Y219-C263 WeakPolarHBondContact CD1-O 3.29Å; Y219-C263 HydrophobicContact CE1-CB 4.49Å; V223-C263 WeakPolarHBondContact O-CB 3.2Å; V223-C263 PolarHBondContact O-N 3.01Å; V223-C263 PolarHBondContact O-SG 3.16Å; C263-P272 HydrophobicContact CB-CB 4Å; C263-C287 HydrophobicContact CB-CB 3.51Å; C263-C287 WeakPolarHBondContact CB-SG 3.37Å; C263-C287 WeakPolarHBondContact SG-CB 3.4Å; C263-C287 CovalentContact SG-SG 2Å; C263-C287 PolarHBondContact SG-SG 2.83Å; C263-V289 HydrophobicContact CB-CG2 4.32Å
264	R	89.9	Confident	76	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-138.4	165.5	-178.7	-63.3	-66.1	177.3	-100.8	0.1	110.2	G221 W235 G256 L257 H260 F262 P266 P272 W273	G221-R264 PolarHBondContact O-NH1 3.42Å; G221-R264 PolarHBondContact O-NH2 3.06Å; W235-R264 HydrophobicContact CZ2-CB 3.77Å; W235-R264 HydrophobicContact CZ2-CG 4.28Å; G256-R264 VanDerWaalsContact O-CD 3.3Å; G256-R264 WeakPolarHBondContact O-CD 3.12Å; G256-R264 PolarHBondContact O-NE 2.87Å; L257-R264 HydrophobicContact CD2-CB 3.71Å; L257-R264 HydrophobicContact CD2-CG 3.8Å; H260-R264 VanDerWaalsContact CE1-CZ 3.49Å; H260-R264 PolarHBondContact CE1-NE 3.49Å; H260-R264 PolarHBondContact CE1-NH2 3.05Å; H260-R264 PolarHBondContact NE2-NH2 2.77Å; F262-R264 WeakPolarHBondContact O-CG 3.05Å; R264-P266 VanDerWaalsContact C-CD 3.45Å; R264-P272 WeakPolarHBondContact O-CA 3.42Å; R264-W273 PolarHBondContact N-O 3.16Å; R264-W273 PolarHBondContact O-N 3.32Å
265	N	77.8	Confident	76.6	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.144	C	C	.	.			trans	-128.9	69.9	170.8	-172.7	-1.1	0	0	0	109.5	R215 D267 G268 D269	R215-N265 PolarHBondContact O-ND2 3.41Å; N265-D267 PolarHBondContact O-N 2.85Å; N265-D267 PolarHBondContact OD1-OD1 2.81Å; N265-G268 WeakPolarHBondContact OD1-CA 3.22Å; N265-G268 PolarHBondContact OD1-N 3.19Å; N265-D269 PolarHBondContact ND2-N 2.9Å; N265-D269 PolarHBondContact ND2-O 2.89Å; N265-D269 PolarHBondContact OD1-N 2.77Å
266	P	69.1	Low	77.1	Confident	18 Å²	18	23.7 Å²	23.7	12%	0.117	13%	0.133	C	C	.	.	S	Bend	trans	-71.5	-17.5	-174.5	30	-35.8	0	0	0	113.8	W235 K255 L257 R264 W273	W235-P266 HydrophobicContact CH2-CG 4.4Å; W235-P266 HydrophobicContact CZ3-CG 4.43Å; K255-P266 HydrophobicContact CB-CB 4.09Å; K255-P266 HydrophobicContact CD-CB 3.8Å; K255-P266 WeakPolarHBondContact CD-O 3.49Å; K255-P266 WeakPolarHBondContact CE-O 3.35Å; K255-P266 HydrophobicContact CG-CB 4.45Å; K255-P266 PolarHBondContact NZ-O 2.84Å; L257-P266 HydrophobicContact CD1-CB 4Å; L257-P266 HydrophobicContact CD1-CG 4.38Å; L257-P266 HydrophobicContact CD2-CB 4.01Å; L257-P266 HydrophobicContact CD2-CG 4.1Å; L257-P266 HydrophobicContact CG-CB 4.28Å; R264-P266 VanDerWaalsContact C-CD 3.45Å; P266-W273 HydrophobicContact CG-CZ2 4.07Å
267	D	57.2	Low	76.8	Confident	69 Å²	69	26.6 Å²	26.6	37%	0.369	15%	0.15	S	C	.	.	S	Bend	trans	-106.7	-5.8	-174.8	62.5	-28.3	0	0	0	113.3	N265 W273	N265-D267 PolarHBondContact O-N 2.85Å; N265-D267 PolarHBondContact OD1-OD1 2.81Å; D267-W273 PolarHBondContact OD1-NE1 3.47Å
268	G	57.9	Low	75.7	Confident	23 Å²	23	28.8 Å²	28.8	24%	0.237	16%	0.164	C	C	.	.			trans	76.8	26.2	177.7	0	0	0	0	0	113.9	R215 N265	R215-G268 PolarHBondContact NH1-O 3.48Å; N265-G268 WeakPolarHBondContact OD1-CA 3.22Å; N265-G268 PolarHBondContact OD1-N 3.19Å
269	D	58	Low	74.9	Confident	35 Å²	35	34.3 Å²	34.3	19%	0.187	19%	0.187	C	C	.	.			trans	-62.8	-174.3	173	-157.2	-2	0	0	0	111.9	R215 N265 K271 Y286	R215-D269 WeakPolarHBondContact CB-O 3.49Å; R215-D269 WeakPolarHBondContact CD-O 3.36Å; N265-D269 PolarHBondContact ND2-N 2.9Å; N265-D269 PolarHBondContact ND2-O 2.89Å; N265-D269 PolarHBondContact OD1-N 2.77Å; D269-K271 VanDerWaalsContact C-N 3.35Å; D269-K271 PolarHBondContact O-N 2.88Å; D269-Y286 VanDerWaalsContact CG-OH 3.26Å; D269-Y286 PolarHBondContact OD1-OH 2.84Å; D269-Y286 WeakPolarHBondContact OD2-CE1 3.36Å; D269-Y286 PolarHBondContact OD2-OH 3Å
270	V	60.3	Low	73.9	Confident	55 Å²	55	31.4 Å²	31.4	33%	0.333	18%	0.18	S	C	.	.	S	Bend	trans	-64.6	-37	-171.8	-177.6	0	0	0	0	112.7
271	K	74	Confident	72.5	Confident	37 Å²	37	31.5 Å²	31.5	16%	0.161	19%	0.185	C	C	.	.	S	Bend	trans	-160	171.7	179.7	71.4	-178.9	-171.3	177.7	0	111.7	Y212 R215 E227 D269 W273 Y286	Y212-K271 HydrophobicContact CE1-CB 3.85Å; Y212-K271 HydrophobicContact CE1-CD 4.28Å; Y212-K271 HydrophobicContact CE2-CB 3.86Å; Y212-K271 VanDerWaalsContact CZ-CB 3.45Å; Y212-K271 WeakPolarHBondContact OH-CB 3.2Å; R215-K271 WeakPolarHBondContact O-CA 3.47Å; E227-K271 IonicContact OE1-NZ 2.84Å; E227-K271 PolarHBondContact OE1-NZ 2.93Å; D269-K271 VanDerWaalsContact C-N 3.35Å; D269-K271 PolarHBondContact O-N 2.88Å; K271-W273 PolarHBondContact O-N 3.04Å; K271-Y286 VanDerWaalsContact CE-CB 3.47Å; K271-Y286 HydrophobicContact CG-CD1 3.6Å; K271-Y286 HydrophobicContact CG-CE1 4.19Å; K271-Y286 HydrophobicContact CG-CG 4.06Å
272	P	86.6	Confident	71.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.			trans	-55.4	137.9	177.4	-25.7	36.1	0	0	0	113.3	Y212 Y219 C263 R264 C287 V289	Y212-P272 HydrophobicContact CD1-CG 4.19Å; Y212-P272 HydrophobicContact CG-CG 4.03Å; Y219-P272 HydrophobicContact CD1-CB 4.2Å; Y219-P272 HydrophobicContact CD1-CG 3.98Å; Y219-P272 HydrophobicContact CG-CG 4.01Å; C263-P272 HydrophobicContact CB-CB 4Å; R264-P272 WeakPolarHBondContact O-CA 3.42Å; P272-C287 WeakPolarHBondContact O-CB 3.39Å; P272-C287 PolarHBondContact O-N 3.23Å; P272-V289 HydrophobicContact CB-CG2 4.34Å
273	W	86.4	Confident	69.8	Low	19 Å²	19	33.5 Å²	33.5	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	172.8	179.5	63.3	-93.1	0	0	0	110.5	W235 R264 P266 D267 K271 Y275 W284 E285 Y286	W235-W273 HydrophobicContact CH2-CD2 4.22Å; W235-W273 AromaticContact CH2-CE3 3.86Å; W235-W273 HydrophobicContact CH2-CE3 3.86Å; W235-W273 AromaticContact CH2-CH2 3.84Å; W235-W273 HydrophobicContact CH2-CH2 3.84Å; W235-W273 HydrophobicContact CH2-CZ2 4.2Å; W235-W273 AromaticContact CH2-CZ3 3.65Å; W235-W273 HydrophobicContact CH2-CZ3 3.65Å; W235-W273 WeakPolarHBondContact CZ2-O 3.14Å; W235-W273 AromaticContact CZ3-CH2 3.83Å; W235-W273 HydrophobicContact CZ3-CH2 3.83Å; W235-W273 HydrophobicContact CZ3-CZ2 4.44Å; W235-W273 AromaticContact CZ3-CZ3 3.89Å; W235-W273 HydrophobicContact CZ3-CZ3 3.89Å; R264-W273 PolarHBondContact N-O 3.16Å; R264-W273 PolarHBondContact O-N 3.32Å; P266-W273 HydrophobicContact CG-CZ2 4.07Å; D267-W273 PolarHBondContact OD1-NE1 3.47Å; K271-W273 PolarHBondContact O-N 3.04Å; W273-Y275 HydrophobicContact CH2-CD2 4.41Å; W273-Y275 HydrophobicContact CH2-CE1 4.48Å; W273-Y275 AromaticContact CH2-CE2 3.74Å; W273-Y275 HydrophobicContact CH2-CE2 3.74Å; W273-Y275 AromaticContact CH2-CZ 3.76Å; W273-Y275 HydrophobicContact CZ3-CD1 4.34Å; W273-Y275 AromaticContact CZ3-CD2 3.86Å; W273-Y275 HydrophobicContact CZ3-CD2 3.86Å; W273-Y275 HydrophobicContact CZ3-CE1 4.08Å; W273-Y275 AromaticContact CZ3-CE2 3.62Å; W273-Y275 HydrophobicContact CZ3-CE2 3.62Å; W273-Y275 HydrophobicContact CZ3-CG 4.22Å; W273-Y275 AromaticContact CZ3-CZ 3.72Å; W273-W284 HydrophobicContact CB-CE3 4.15Å; W273-W284 HydrophobicContact CB-CZ3 4.39Å; W273-W284 HydrophobicContact CD2-CE3 4.27Å; W273-W284 HydrophobicContact CE3-CB 4Å; W273-W284 HydrophobicContact CE3-CD2 4.49Å; W273-W284 HydrophobicContact CE3-CE3 4.11Å; W273-W284 HydrophobicContact CE3-CG 4.46Å; W273-W284 HydrophobicContact CG-CE3 4.31Å; W273-W284 HydrophobicContact CZ3-CB 4.06Å; W273-E285 VanDerWaalsContact CA-O 3.32Å; W273-E285 WeakPolarHBondContact CA-O 3.43Å; W273-E285 VanDerWaalsContact CB-O 3.29Å; W273-E285 WeakPolarHBondContact CB-O 3.4Å; W273-Y286 HydrophobicContact CB-CD1 3.89Å; W273-Y286 HydrophobicContact CB-CE1 4.36Å
274	C	83.1	Confident	68.7	Low	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	163.3	173.2	69.4	0	0	0	0	111.4	C232 W235 W284 E285	C232-C274 VanDerWaalsContact CA-SG 3.52Å; C232-C274 HydrophobicContact CB-CB 3.48Å; C232-C274 VanDerWaalsContact CB-CB 3.48Å; C232-C274 WeakPolarHBondContact CB-SG 3.44Å; C232-C274 WeakPolarHBondContact SG-CB 3.28Å; C232-C274 CovalentContact SG-SG 2.01Å; C232-C274 PolarHBondContact SG-SG 2.77Å; W235-C274 HydrophobicContact CZ2-CB 4.29Å; C274-W284 CarbonylContact O-C 3.57Å; C274-W284 VanDerWaalsContact O-CA 3.24Å; C274-W284 WeakPolarHBondContact O-CA 3.09Å; C274-W284 WeakPolarHBondContact O-CB 3.27Å; C274-E285 PolarHBondContact N-O 3Å; C274-E285 PolarHBondContact O-N 3.43Å
275	Y	78.3	Confident	67.8	Low	18 Å²	18	37.9 Å²	37.9	7%	0.071	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	146.7	168.8	-70.1	-77.5	0	0	0	110.8	C232 L233 W235 L240 E243 L244 W273 I282 S283 W284	C232-Y275 CarbonylContact C-O 3.56Å; C232-Y275 VanDerWaalsContact CA-O 3.31Å; C232-Y275 WeakPolarHBondContact CA-O 3.33Å; L233-Y275 PolarHBondContact N-O 3.05Å; W235-Y275 HydrophobicContact CE3-CD2 4.1Å; W235-Y275 HydrophobicContact CE3-CE2 4.21Å; W235-Y275 HydrophobicContact CH2-CD2 4.41Å; W235-Y275 AromaticContact CZ3-CD2 3.72Å; W235-Y275 HydrophobicContact CZ3-CD2 3.72Å; W235-Y275 AromaticContact CZ3-CE2 3.68Å; W235-Y275 HydrophobicContact CZ3-CE2 3.68Å; L240-Y275 HydrophobicContact CD1-CD2 3.66Å; L240-Y275 HydrophobicContact CD1-CE2 4.41Å; L240-Y275 HydrophobicContact CD1-CG 4.09Å; L240-Y275 HydrophobicContact CD2-CD1 4Å; L240-Y275 HydrophobicContact CD2-CD2 3.88Å; L240-Y275 HydrophobicContact CD2-CG 3.57Å; L240-Y275 HydrophobicContact CG-CD2 4.35Å; L240-Y275 HydrophobicContact CG-CG 4.47Å; E243-Y275 HydrophobicContact CB-CE1 3.84Å; E243-Y275 HydrophobicContact CB-CE2 4.44Å; E243-Y275 HydrophobicContact CG-CE1 4.26Å; E243-Y275 PolarHBondContact O-OH 3.48Å; L244-Y275 HydrophobicContact CD2-CE2 4.07Å; W273-Y275 HydrophobicContact CH2-CD2 4.41Å; W273-Y275 HydrophobicContact CH2-CE1 4.48Å; W273-Y275 AromaticContact CH2-CE2 3.74Å; W273-Y275 HydrophobicContact CH2-CE2 3.74Å; W273-Y275 AromaticContact CH2-CZ 3.76Å; W273-Y275 HydrophobicContact CZ3-CD1 4.34Å; W273-Y275 AromaticContact CZ3-CD2 3.86Å; W273-Y275 HydrophobicContact CZ3-CD2 3.86Å; W273-Y275 HydrophobicContact CZ3-CE1 4.08Å; W273-Y275 AromaticContact CZ3-CE2 3.62Å; W273-Y275 HydrophobicContact CZ3-CE2 3.62Å; W273-Y275 HydrophobicContact CZ3-CG 4.22Å; W273-Y275 AromaticContact CZ3-CZ 3.72Å; Y275-I282 HydrophobicContact CD1-CG2 4.1Å; Y275-S283 CarbonylContact C-O 3.56Å; Y275-S283 VanDerWaalsContact CA-O 3.29Å; Y275-S283 WeakPolarHBondContact CA-O 3.43Å; Y275-S283 WeakPolarHBondContact CD1-O 3.33Å; Y275-W284 HydrophobicContact CD1-CB 3.86Å; Y275-W284 HydrophobicContact CE1-CB 4.23Å; Y275-W284 HydrophobicContact CG-CB 4.48Å
276	T	77.1	Confident	67.9	Low	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	167.2	-179.8	61	0	0	0	0	109.5	A226 A230 S283 E285	A226-T276 HydrophobicContact CB-CG2 4.08Å; A230-T276 HydrophobicContact CB-CG2 3.98Å; T276-S283 PolarHBondContact N-O 3.37Å; T276-S283 PolarHBondContact O-N 3.49Å; T276-S283 VanDerWaalsContact O-O 3.09Å; T276-E285 HydrophobicContact CG2-CB 4.34Å
277	V	67.7	Low	68.8	Low	61 Å²	61	37.5 Å²	37.5	37%	0.37	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.6	169.2	179.6	0	0	0	0	108.3	L45 L233 A281	L45-V277 HydrophobicContact CD1-CB 4.43Å; L45-V277 HydrophobicContact CD1-CG1 3.77Å; L45-V277 HydrophobicContact CD1-CG2 3.75Å; L233-V277 HydrophobicContact CD1-CG2 3.82Å; L233-V277 HydrophobicContact CD2-CG2 3.96Å; L233-V277 HydrophobicContact CG-CG2 4.18Å; V277-A281 WeakPolarHBondContact CA-O 3.24Å
278	T	58.7	Low	70.1	Confident	62 Å²	62	37.2 Å²	37.2	38%	0.38	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.8	175.9	-50.2	0	0	0	0	108.3	S280 A281	T278-S280 VanDerWaalsContact C-N 3.26Å; T278-S280 PolarHBondContact O-N 3.45Å; T278-S280 VanDerWaalsContact O-N 3.17Å; T278-A281 PolarHBondContact N-O 3Å; T278-A281 PolarHBondContact O-N 3.13Å
279	D	55.5	Low	71.7	Confident	142 Å²	142	36.4 Å²	36.4	76%	0.759	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.4	178.9	-58.7	-31.5	0	0	0	114.7	A281	D279-A281 PolarHBondContact O-N 3.38Å
280	S	57.1	Low	73.1	Confident	57 Å²	57	38.4 Å²	38.4	40%	0.399	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	20.9	-176.1	-56.3	0	0	0	0	114.8	L45 T278	L45-S280 WeakPolarHBondContact CB-O 3.4Å; L45-S280 PolarHBondContact N-O 2.9Å; T278-S280 VanDerWaalsContact C-N 3.26Å; T278-S280 PolarHBondContact O-N 3.45Å; T278-S280 VanDerWaalsContact O-N 3.17Å
281	A	53.8	Low	74.4	Confident	27 Å²	27	38.1 Å²	38.1	22%	0.223	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.3	170.6	0	0	0	0	0	110.3	V277 T278 D279 S283	V277-A281 WeakPolarHBondContact CA-O 3.24Å; T278-A281 PolarHBondContact N-O 3Å; T278-A281 PolarHBondContact O-N 3.13Å; D279-A281 PolarHBondContact O-N 3.38Å; A281-S283 PolarHBondContact O-N 2.91Å
282	I	61.6	Low	74.9	Confident	30 Å²	30	38.6 Å²	38.6	15%	0.154	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.8	172.2	-60	172.8	0	0	0	107.7	L45 L233 L239 L240 E243 Y275	L45-I282 HydrophobicContact CD1-CG1 4.14Å; L45-I282 HydrophobicContact CD2-CG1 4.45Å; L45-I282 HydrophobicContact CG-CG1 4.4Å; L233-I282 HydrophobicContact CD1-CG2 4.49Å; L239-I282 HydrophobicContact CB-CD1 3.85Å; L239-I282 WeakPolarHBondContact O-CD1 3.32Å; L240-I282 HydrophobicContact CD2-CD1 4.4Å; L240-I282 HydrophobicContact CD2-CG2 3.69Å; E243-I282 HydrophobicContact CG-CG2 4.24Å; Y275-I282 HydrophobicContact CD1-CG2 4.1Å
283	S	63.2	Low	74.5	Confident	48 Å²	48	43.7 Å²	43.7	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	-174.8	176.4	-168.8	0	0	0	0	108.6	Y275 T276 A281	Y275-S283 CarbonylContact C-O 3.56Å; Y275-S283 VanDerWaalsContact CA-O 3.29Å; Y275-S283 WeakPolarHBondContact CA-O 3.43Å; Y275-S283 WeakPolarHBondContact CD1-O 3.33Å; T276-S283 PolarHBondContact N-O 3.37Å; T276-S283 PolarHBondContact O-N 3.49Å; T276-S283 VanDerWaalsContact O-O 3.09Å; A281-S283 PolarHBondContact O-N 2.91Å
284	W	69.6	Low	72.9	Confident	46 Å²	46	47.3 Å²	47.3	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.3	171.7	69.2	-79.6	0	0	0	109.6	W273 C274 Y275 Y286 K336 L352	W273-W284 HydrophobicContact CB-CE3 4.15Å; W273-W284 HydrophobicContact CB-CZ3 4.39Å; W273-W284 HydrophobicContact CD2-CE3 4.27Å; W273-W284 HydrophobicContact CE3-CB 4Å; W273-W284 HydrophobicContact CE3-CD2 4.49Å; W273-W284 HydrophobicContact CE3-CE3 4.11Å; W273-W284 HydrophobicContact CE3-CG 4.46Å; W273-W284 HydrophobicContact CG-CE3 4.31Å; W273-W284 HydrophobicContact CZ3-CB 4.06Å; C274-W284 CarbonylContact O-C 3.57Å; C274-W284 VanDerWaalsContact O-CA 3.24Å; C274-W284 WeakPolarHBondContact O-CA 3.09Å; C274-W284 WeakPolarHBondContact O-CB 3.27Å; Y275-W284 HydrophobicContact CD1-CB 3.86Å; Y275-W284 HydrophobicContact CE1-CB 4.23Å; Y275-W284 HydrophobicContact CG-CB 4.48Å; W284-Y286 HydrophobicContact CH2-CE2 4.43Å; W284-Y286 HydrophobicContact CZ3-CD1 4.38Å; W284-Y286 HydrophobicContact CZ3-CE1 4.06Å; W284-Y286 HydrophobicContact CZ3-CE2 4.32Å; W284-K336 HydrophobicContact CH2-CG 3.74Å; W284-K336 HydrophobicContact CZ2-CD 4.17Å; W284-K336 HydrophobicContact CZ2-CG 3.44Å; W284-K336 VanDerWaalsContact CZ2-CG 3.44Å; W284-L352 HydrophobicContact CG-CD1 4.31Å
285	E	70.9	Confident	71.1	Confident	45 Å²	45	52.5 Å²	52.5	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.4	-179.4	-165.2	178.8	165.9	0	0	111.1	A226 S228 W273 C274 T276	A226-E285 HydrophobicContact CB-CB 3.81Å; A226-E285 HydrophobicContact CB-CG 4Å; A226-E285 WeakPolarHBondContact CB-OE2 3.43Å; S228-E285 WeakPolarHBondContact CB-OE1 3.29Å; S228-E285 WeakPolarHBondContact CB-OE2 3.31Å; S228-E285 PolarHBondContact N-OE1 3.06Å; S228-E285 VanDerWaalsContact OG-CD 3.3Å; S228-E285 PolarHBondContact OG-OE1 2.77Å; S228-E285 PolarHBondContact OG-OE2 2.93Å; W273-E285 VanDerWaalsContact CA-O 3.32Å; W273-E285 WeakPolarHBondContact CA-O 3.43Å; W273-E285 VanDerWaalsContact CB-O 3.29Å; W273-E285 WeakPolarHBondContact CB-O 3.4Å; C274-E285 PolarHBondContact N-O 3Å; C274-E285 PolarHBondContact O-N 3.43Å; T276-E285 HydrophobicContact CG2-CB 4.34Å
286	Y	79.5	Confident	69.3	Low	13 Å²	13	58 Å²	58	5%	0.051	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	149.3	168.1	-70.9	-56.2	0	0	0	111.4	A226 E227 D269 K271 W273 W284 R337	A226-Y286 CarbonylContact C-O 3.51Å; A226-Y286 WeakPolarHBondContact CA-O 3.46Å; E227-Y286 PolarHBondContact N-O 2.67Å; D269-Y286 VanDerWaalsContact CG-OH 3.26Å; D269-Y286 PolarHBondContact OD1-OH 2.84Å; D269-Y286 WeakPolarHBondContact OD2-CE1 3.36Å; D269-Y286 PolarHBondContact OD2-OH 3Å; K271-Y286 VanDerWaalsContact CE-CB 3.47Å; K271-Y286 HydrophobicContact CG-CD1 3.6Å; K271-Y286 HydrophobicContact CG-CE1 4.19Å; K271-Y286 HydrophobicContact CG-CG 4.06Å; W273-Y286 HydrophobicContact CB-CD1 3.89Å; W273-Y286 HydrophobicContact CB-CE1 4.36Å; W284-Y286 HydrophobicContact CH2-CE2 4.43Å; W284-Y286 HydrophobicContact CZ3-CD1 4.38Å; W284-Y286 HydrophobicContact CZ3-CE1 4.06Å; W284-Y286 HydrophobicContact CZ3-CE2 4.32Å; Y286-R337 HydrophobicContact CD2-CB 4.35Å; Y286-R337 HydrophobicContact CE2-CB 4.17Å
287	C	87.5	Confident	67.5	Low	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-91.7	155.3	-180	-67.7	0	0	0	0	113.3	T225 C263 P272 V289	T225-C287 WeakPolarHBondContact O-CA 3.29Å; C263-C287 HydrophobicContact CB-CB 3.51Å; C263-C287 WeakPolarHBondContact CB-SG 3.37Å; C263-C287 WeakPolarHBondContact SG-CB 3.4Å; C263-C287 CovalentContact SG-SG 2Å; C263-C287 PolarHBondContact SG-SG 2.83Å; P272-C287 WeakPolarHBondContact O-CB 3.39Å; P272-C287 PolarHBondContact O-N 3.23Å; C287-V289 HydrophobicContact CB-CG2 3.85Å; C287-V289 PolarHBondContact O-N 3.28Å
288	S	86.1	Confident	66.2	Low	63 Å²	63	74.9 Å²	74.9	44%	0.441	42%	0.415	S	S	.	.	S	Bend	trans	-74.1	48.6	172.8	-65.5	0	0	0	0	112.2	T225 A226 E227	T225-S288 PolarHBondContact O-N 2.97Å; A226-S288 PolarHBondContact O-OG 2.85Å; E227-S288 VanDerWaalsContact CA-OG 3.32Å; E227-S288 WeakPolarHBondContact CA-OG 3.49Å
289	V	90.1	Very high	65.2	Low	6 Å²	6	79.9 Å²	79.9	4%	0.036	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-102.8	122.1	175.9	-169.3	0	0	0	0	108.5	Y212 Y219 V223 C263 P272 C287	Y212-V289 HydrophobicContact CD1-CB 4.05Å; Y212-V289 HydrophobicContact CD1-CG1 3.83Å; Y212-V289 WeakPolarHBondContact CD1-O 3.12Å; Y212-V289 WeakPolarHBondContact CE1-O 3.32Å; Y219-V289 HydrophobicContact CD2-CG1 4.24Å; Y219-V289 HydrophobicContact CE1-CG1 4.35Å; Y219-V289 HydrophobicContact CE1-CG2 4.11Å; Y219-V289 HydrophobicContact CE2-CG1 3.59Å; V223-V289 HydrophobicContact CB-CG2 3.76Å; V223-V289 HydrophobicContact CG1-CG2 3.76Å; V223-V289 HydrophobicContact CG2-CG2 4.08Å; C263-V289 HydrophobicContact CB-CG2 4.32Å; P272-V289 HydrophobicContact CB-CG2 4.34Å; C287-V289 HydrophobicContact CB-CG2 3.85Å; C287-V289 PolarHBondContact O-N 3.28Å
290	P	89.2	Confident	64.4	Low	78 Å²	78	81.1 Å²	81.1	51%	0.506	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-73.1	154.4	176.2	28.5	-33.9	0	0	0	112.2	K210 C211 Y212	K210-P290 WeakPolarHBondContact O-CD 3.43Å; K210-P290 WeakPolarHBondContact O-CG 3.34Å; C211-P290 CarbonylContact C-O 3.53Å; C211-P290 WeakPolarHBondContact CA-O 3.32Å; C211-P290 HydrophobicContact CB-CG 4.18Å; C211-P290 WeakPolarHBondContact CB-O 3.31Å; Y212-P290 WeakPolarHBondContact CD1-O 3.44Å; Y212-P290 PolarHBondContact N-O 2.81Å
291	S	86.5	Confident	63.3	Low	49 Å²	49	84.5 Å²	84.5	34%	0.343	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-73.1	140.2	168.5	174.6	0	0	0	0	110	Y212 V293	Y212-S291 WeakPolarHBondContact O-CA 3.39Å; S291-V293 PolarHBondContact O-N 2.88Å; S291-V293 PolarHBondContact OG-N 3.37Å; S291-V293 VanDerWaalsContact OG-N 3.17Å
292	C	85.1	Confident	62.5	Low	46 Å²	46	90.1 Å²	90.1	31%	0.311	49%	0.489	S	S	.	.	S	Bend	trans	-71.6	-11.6	173.6	-58.6	0	0	0	0	113.1	C211 Y212 K213	C211-C292 HydrophobicContact CB-CB 3.97Å; C211-C292 WeakPolarHBondContact CB-SG 3.47Å; C211-C292 PolarHBondContact O-SG 2.91Å; C211-C292 VanDerWaalsContact O-SG 3.38Å; C211-C292 WeakPolarHBondContact SG-CA 3.47Å; C211-C292 WeakPolarHBondContact SG-CB 3.44Å; C211-C292 CovalentContact SG-SG 2.04Å; C211-C292 PolarHBondContact SG-SG 2.82Å; Y212-C292 VanDerWaalsContact C-SG 3.58Å; Y212-C292 PolarHBondContact O-N 2.89Å; Y212-C292 PolarHBondContact O-SG 2.91Å; K213-C292 HydrophobicContact CG-CB 4.01Å
293	V	77.3	Confident	61.3	Low	107 Å²	107	93.1 Å²	93.1	65%	0.648	52%	0.519	S	S	*	.	S	Bend	trans	-91.3	110.1	173.3	-168.5	0	0	0	0	107.4	S291	S291-V293 PolarHBondContact O-N 2.88Å; S291-V293 PolarHBondContact OG-N 3.37Å; S291-V293 VanDerWaalsContact OG-N 3.17Å
294	T	54.3	Low	60	Low	95 Å²	95	95.9 Å²	95.9	58%	0.583	54%	0.538	S	S	*	.			trans	-69	142.9	170.7	43.1	0	0	0	0	109.8	D296	T294-D296 PolarHBondContact O-N 3.11Å
295	P	45.2	Very low	58.6	Low	110 Å²	110	105.5 Å²	105.5	71%	0.714	57%	0.574	S	S	*	*			trans	-62.3	123.9	159.9	-11.9	26.2	0	0	0	108.3	W297	P295-W297 PolarHBondContact O-N 3.16Å
296	D	39.9	Very low	56.7	Low	134 Å²	134	114.4 Å²	114.4	72%	0.717	61%	0.606	S	S	*	*	S	Bend	trans	-70.4	40.6	-173.5	-116.1	-10.2	0	0	0	114.7	T294	T294-D296 PolarHBondContact O-N 3.11Å
297	W	39.3	Very low	54.6	Low	237 Å²	237	121.6 Å²	121.6	90%	0.898	64%	0.643	S	S	*	*	S	Bend	trans	-120.2	12.8	-178.5	-69.6	93.2	0	0	0	114.7	P295	P295-W297 PolarHBondContact O-N 3.16Å
298	Q	40.1	Very low	51.9	Low	178 Å²	178	129.3 Å²	129.3	83%	0.832	68%	0.683	S	S	*	*	S	Bend	trans	-123.1	11.2	178.7	-81.7	-179.7	-23.1	0	0	115
299	Q	37	Very low	49.4	Very low	167 Å²	167	130.9 Å²	130.9	78%	0.78	69%	0.692	S	S	*	*	S	Bend	trans	-116.9	19.8	-176.7	-112	164.8	0.9	0	0	116
300	L	39	Very low	46.6	Very low	167 Å²	167	139.4 Å²	139.4	87%	0.874	73%	0.728	S	S	*	*	S	Bend	trans	-117	4.5	171.8	-79.8	166.9	0	0	0	115.3
301	T	35.4	Very low	44	Very low	128 Å²	128	142.6 Å²	142.6	79%	0.785	74%	0.741	S	S	*	*	S	Bend	trans	-102.3	15.6	-175.7	56.2	0	0	0	0	115.9
302	V	35.4	Very low	41.3	Very low	146 Å²	146	145 Å²	145	89%	0.885	76%	0.764	S	S	*	*	S	Bend	trans	-105	-1.8	175.7	-173.7	0	0	0	0	113.4
303	A	37.6	Very low	39	Very low	93 Å²	93	150.9 Å²	150.9	77%	0.769	79%	0.791	S	S	*	*	S	Bend	trans	-133.6	69.8	179.6	0	0	0	0	0	112.5
304	S	35.3	Very low	36.9	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	80%	0.797	S	S	*	*			trans	-177.1	99	134.9	-157.3	0	0	0	0	110	R306	S304-R306 PolarHBondContact O-N 3.25Å
305	R	39.5	Very low	35.9	Very low	249 Å²	249	153.1 Å²	153.1	94%	0.94	80%	0.803	S	S	*	*			trans	-72.4	104.6	156.7	-78.3	-179.3	176.3	-178.5	-1	107.5
306	R	31.2	Very low	35.5	Very low	232 Å²	232	155.7 Å²	155.7	88%	0.875	81%	0.809	S	S	*	*			trans	-142.1	120	144.5	-75.6	-163.2	-168.1	-174	4.1	109.6	S304	S304-R306 PolarHBondContact O-N 3.25Å
307	I	36.1	Very low	34.9	Very low	164 Å²	164	157.8 Å²	157.8	84%	0.841	81%	0.811	S	S	*	*			trans	-80.1	123.6	173.1	-64.1	168.2	0	0	0	107.5
308	I	31	Very low	34.6	Very low	162 Å²	162	155.7 Å²	155.7	83%	0.831	81%	0.809	S	S	*	*			trans	-143.5	138.7	149.9	-59.5	-173	0	0	0	108.2
309	P	32.1	Very low	34.1	Very low	96 Å²	96	153.3 Å²	153.3	62%	0.623	81%	0.809	S	S	*	*			trans	-96.9	160.6	-164.6	5	17.8	0	0	0	114.5
310	F	31.4	Very low	33.9	Very low	184 Å²	184	152.7 Å²	152.7	81%	0.807	81%	0.811	S	S	*	*			trans	63.2	133.9	149.7	-86.5	-91.2	0	0	0	122.2
311	N	36.1	Very low	33.8	Very low	145 Å²	145	149.6 Å²	149.6	78%	0.775	80%	0.803	S	S	*	*			trans	65.1	102	149.9	-68.3	-17.3	0	0	0	120.2
312	A	28.9	Very low	34.2	Very low	99 Å²	99	148.6 Å²	148.6	82%	0.818	80%	0.801	S	S	*	*				-175.2	115.7	122.3	0	0	0	0	0	110.6
313	L	37.5	Very low	34.1	Very low	170 Å²	170	150.1 Å²	150.1	89%	0.89	80%	0.796	S	S	*	*			trans	-80.4	141.7	156.9	-100.8	126.1	0	0	0	108.5
314	P	32.5	Very low	34.1	Very low	117 Å²	117	157.8 Å²	157.8	76%	0.76	81%	0.805	S	S	*	*				-132.8	112.5	126.4	22.6	-4.2	0	0	0	112.4
315	N	33.9	Very low	34.3	Very low	132 Å²	132	159.1 Å²	159.1	71%	0.706	81%	0.809	S	S	*	*				33.7	95	129	-122.2	-22.4	0	0	0	118.4
316	I	36.2	Very low	34.2	Very low	164 Å²	164	150 Å²	150	84%	0.841	79%	0.792	S	S	*	*			trans	-113.3	108.5	148.4	-61.6	178.1	0	0	0	107.1	K318	I316-K318 PolarHBondContact O-N 2.91Å
317	K	28.4	Very low	34.8	Very low	178 Å²	178	146.4 Å²	146.4	77%	0.774	79%	0.79	S	S	*	*			trans	-57.1	114.5	178.3	-67.9	177.4	178	177.1	0	109.7
318	K	31.4	Very low	35.7	Very low	194 Å²	194	141.9 Å²	141.9	84%	0.843	77%	0.771	S	S	*	*			trans	-63.6	130.3	161.4	-79.6	178.7	177.1	174.6	0	108.3	I316 N320	I316-K318 PolarHBondContact O-N 2.91Å; K318-N320 PolarHBondContact O-N 3.36Å; K318-N320 VanDerWaalsContact O-N 3.15Å
319	P	31.3	Very low	38	Very low	128 Å²	128	138.6 Å²	138.6	83%	0.831	76%	0.758	S	S	*	*			trans	-66.7	119	167.6	23.3	-23.2	0	0	0	108.3	S321	P319-S321 PolarHBondContact O-N 2.57Å
320	N	32.7	Very low	40.6	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	74%	0.74	S	S	*	*			trans	-69.2	114.9	170.9	-134.2	-2	0	0	0	107.8	K318	K318-N320 PolarHBondContact O-N 3.36Å; K318-N320 VanDerWaalsContact O-N 3.15Å
321	S	35.6	Very low	43	Very low	102 Å²	102	126.9 Å²	126.9	71%	0.713	70%	0.702	S	S	*	*			trans	-141.2	78.7	152.5	74.2	0	0	0	0	109.6	P319 K323	P319-S321 PolarHBondContact O-N 2.57Å; S321-K323 PolarHBondContact O-N 3.39Å
322	S	44.8	Very low	45.1	Very low	108 Å²	108	121.4 Å²	121.4	76%	0.755	67%	0.673	S	S	*	*			trans	-54.5	85.2	145.5	56.9	0	0	0	0	109.6
323	K	33.8	Very low	47	Very low	177 Å²	177	119.6 Å²	119.6	77%	0.77	65%	0.647	S	S	*	*			trans	-125.3	101.8	149.3	-81.1	-170.9	178.4	179.4	0	106.4	S321 V325	S321-K323 PolarHBondContact O-N 3.39Å; K323-V325 PolarHBondContact O-N 2.98Å
324	R	36.8	Very low	47.9	Very low	255 Å²	255	117.6 Å²	117.6	96%	0.962	63%	0.633	S	S	*	*			trans	-58.3	96.9	160.3	-74	-177.3	-177	-175.2	1.3	106.2	G326	R324-G326 PolarHBondContact O-N 2.71Å
325	V	38.2	Very low	48.6	Very low	133 Å²	133	118.4 Å²	118.4	81%	0.806	62%	0.624	S	S	*	*			trans	-64.9	114.4	166.7	178.5	0	0	0	0	105.1	K323	K323-V325 PolarHBondContact O-N 2.98Å
326	G	37.8	Very low	49	Very low	57 Å²	57	115.5 Å²	115.5	59%	0.588	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.3	148.2	178.6	0	0	0	0	0	111	R324	R324-G326 PolarHBondContact O-N 2.71Å
327	N	44.9	Very low	48.8	Very low	156 Å²	156	116.1 Å²	116.1	83%	0.834	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-47	126.3	177.6	-75.4	-24.5	0	0	0	110.4	V329	N327-V329 PolarHBondContact O-N 2.87Å
328	P	54.7	Low	49	Very low	69 Å²	69	112.1 Å²	112.1	45%	0.448	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-60.2	126.6	-175.4	12.1	-20.1	0	0	0	111.3	C330 V332 V545	P328-C330 VanDerWaalsContact C-N 3.34Å; P328-V332 HydrophobicContact CB-CG2 3.73Å; P328-V332 HydrophobicContact CG-CG2 3.57Å; P328-V332 WeakPolarHBondContact O-CG2 3.36Å; P328-V545 HydrophobicContact CB-CG2 3.98Å; P328-V545 HydrophobicContact CG-CG2 4.06Å
329	V	78.9	Confident	48.9	Very low	93 Å²	93	106.2 Å²	106.2	56%	0.564	57%	0.571	S	S	*	*	S	Bend	trans	-79.8	-18.5	-172.6	177	0	0	0	0	112.4	N327 R451	N327-V329 PolarHBondContact O-N 2.87Å; V329-R451 VanDerWaalsContact CG1-CZ 3.41Å; V329-R451 PolarHBondContact O-NE 3.22Å
330	C	86.6	Confident	48.8	Very low	35 Å²	35	104.9 Å²	104.9	24%	0.236	56%	0.56	C	S	.	*	S	Bend	trans	-138.9	168.8	-177.8	57.5	0	0	0	0	110.5	P328 V332 P457 C459	P328-C330 VanDerWaalsContact C-N 3.34Å; C330-V332 PolarHBondContact O-N 3.35Å; C330-P457 CarbonylContact C-O 3.57Å; C330-P457 VanDerWaalsContact CA-O 3.24Å; C330-P457 WeakPolarHBondContact CA-O 3.34Å; C330-P457 HydrophobicContact CB-CB 4.4Å; C330-P457 HydrophobicContact CB-CG 4.07Å; C330-P457 WeakPolarHBondContact CB-O 3.43Å; C330-C459 HydrophobicContact CB-CB 4.09Å; C330-C459 WeakPolarHBondContact CB-SG 3.39Å; C330-C459 PolarHBondContact O-SG 3.32Å; C330-C459 WeakPolarHBondContact SG-CA 3.37Å; C330-C459 WeakPolarHBondContact SG-CB 3.35Å; C330-C459 CovalentContact SG-SG 2.05Å; C330-C459 PolarHBondContact SG-SG 2.98Å
331	G	82.2	Confident	48.8	Very low	0 Å²	0	100.4 Å²	100.4	0%	0	55%	0.545	C	S	.	.	S	Bend	trans	69.2	1	171.6	0	0	0	0	0	114.9	P457 S546	G331-P457 PolarHBondContact N-O 3.31Å; G331-S546 VanDerWaalsContact CA-O 3.28Å; G331-S546 WeakPolarHBondContact CA-O 3.48Å; G331-S546 PolarHBondContact O-N 3.27Å
332	V	79.9	Confident	48.7	Very low	29 Å²	29	103.8 Å²	103.8	18%	0.176	54%	0.542	C	S	.	.			trans	-90	108.4	178	-173.3	0	0	0	0	109.8	P328 C330 R456	P328-V332 HydrophobicContact CB-CG2 3.73Å; P328-V332 HydrophobicContact CG-CG2 3.57Å; P328-V332 WeakPolarHBondContact O-CG2 3.36Å; C330-V332 PolarHBondContact O-N 3.35Å; V332-R456 WeakPolarHBondContact O-CD 3.4Å
333	K	68.9	Low	48	Very low	61 Å²	61	101.5 Å²	101.5	27%	0.265	54%	0.535	S	S	.	.			trans	-84.2	163.8	165.6	59	-178.4	-178	-179	0	111.5	K335 T355 W358	K333-K335 PolarHBondContact O-N 2.93Å; K333-T355 VanDerWaalsContact CB-O 3.28Å; K333-T355 WeakPolarHBondContact CB-O 3.38Å; K333-W358 HydrophobicContact CB-CH2 4.04Å; K333-W358 HydrophobicContact CB-CZ3 4.08Å; K333-W358 HydrophobicContact CD-CH2 4.33Å
334	H	56.9	Low	47.7	Very low	128 Å²	128	104.7 Å²	104.7	59%	0.593	54%	0.542	S	S	*	.	S	Bend	trans	-57.6	125.9	165.5	-125.2	50.6	0	0	0	108.4	K336	H334-K336 PolarHBondContact O-N 2.91Å
335	K	47.2	Very low	47.5	Very low	134 Å²	134	96.6 Å²	96.6	58%	0.583	52%	0.517	S	S	*	.			trans	-67.9	102.4	-169.1	-75.9	-172.7	170	-164.3	0	110.5	K333 R337 D544	K333-K335 PolarHBondContact O-N 2.93Å; K335-R337 PolarHBondContact O-N 3.36Å; K335-D544 VanDerWaalsContact CE-OD2 3.27Å; K335-D544 WeakPolarHBondContact CE-OD2 3.32Å; K335-D544 IonicContact NZ-OD1 2.77Å; K335-D544 IonicContact NZ-OD2 3.39Å; K335-D544 PolarHBondContact NZ-OD2 3.43Å
336	K	41	Very low	47.1	Very low	72 Å²	72	97.4 Å²	97.4	31%	0.313	51%	0.51	S	S	.	.			trans	-55.4	116	137.3	-89.1	179.9	179	-179.4	0	105.1	W284 H334 L338 E493	W284-K336 HydrophobicContact CH2-CG 3.74Å; W284-K336 HydrophobicContact CZ2-CD 4.17Å; W284-K336 HydrophobicContact CZ2-CG 3.44Å; W284-K336 VanDerWaalsContact CZ2-CG 3.44Å; H334-K336 PolarHBondContact O-N 2.91Å; K336-L338 PolarHBondContact O-N 3.39Å; K336-E493 IonicContact NZ-OE1 2.95Å; K336-E493 PolarHBondContact NZ-OE1 2.96Å
337	R	32.7	Very low	47.4	Very low	177 Å²	177	96.4 Å²	96.4	67%	0.668	50%	0.5	S	S	*	.	S	Bend	trans	-72.8	77.5	-175.9	-136.7	-178.4	-173.6	-172.5	2.4	110.6	E227 Y286 K335	E227-R337 IonicContact OE2-NH1 3.84Å; Y286-R337 HydrophobicContact CD2-CB 4.35Å; Y286-R337 HydrophobicContact CE2-CB 4.17Å; K335-R337 PolarHBondContact O-N 3.36Å
338	L	32.5	Very low	47.6	Very low	94 Å²	94	89.8 Å²	89.8	49%	0.492	47%	0.468	S	S	.	.	S	Bend	trans	58.4	139.7	158.3	-64.3	163.2	0	0	0	118.8	K336 D544	K336-L338 PolarHBondContact O-N 3.39Å; L338-D544 VanDerWaalsContact CD2-OD1 3.27Å; L338-D544 WeakPolarHBondContact CD2-OD1 3.27Å
339	A	29.7	Very low	47.6	Very low	69 Å²	69	90 Å²	90	57%	0.57	47%	0.465	S	S	*	.			cis	-166.1	151.8	-12.1	0	0	0	0	0	106.5
340	V	30.2	Very low	46.8	Very low	100 Å²	100	86.5 Å²	86.5	61%	0.606	45%	0.446	S	S	*	.			trans	81.5	100.9	-175.7	-166.9	0	0	0	0	113.8	R342 C472	V340-R342 HydrophobicContact CG1-CG 4.3Å; V340-R342 PolarHBondContact O-N 2.8Å; V340-C472 HydrophobicContact CG1-CB 4.37Å
341	A	32.3	Very low	45.9	Very low	60 Å²	60	84.8 Å²	84.8	50%	0.496	44%	0.435	S	S	.	.			trans	-54.2	101.3	157.6	0	0	0	0	0	108.2
342	R	32.3	Very low	45	Very low	173 Å²	173	86.5 Å²	86.5	65%	0.653	44%	0.444	S	S	*	.			trans	-92.8	111.1	163.7	-91.3	-169.8	172.6	177.5	-2	107.1	V340	V340-R342 HydrophobicContact CG1-CG 4.3Å; V340-R342 PolarHBondContact O-N 2.8Å
343	G	30.9	Very low	44.2	Very low	59 Å²	59	88.3 Å²	88.3	61%	0.608	46%	0.456	S	S	*	.			trans	-62.9	131.9	171.8	0	0	0	0	0	111.3
344	R	26.8	Very low	44.1	Very low	245 Å²	245	86.1 Å²	86.1	93%	0.925	45%	0.451	S	S	*	.			trans	-161	41.5	150.5	-125	-177	-168.2	172.6	3.2	112.1
345	I	33	Very low	44.9	Very low	85 Å²	85	80.7 Å²	80.7	44%	0.436	43%	0.427	S	S	.	.	S	Bend	trans	-140.7	124.7	166.3	-53.3	-176.5	0	0	0	108
346	F	30.9	Very low	46.8	Very low	149 Å²	149	74.7 Å²	74.7	65%	0.654	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	136.3	174.9	-89.2	-98.1	0	0	0	110.3
347	G	43.2	Very low	49	Very low	37 Å²	37	71.3 Å²	71.3	38%	0.381	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.5	-2.8	167.2	0	0	0	0	0	118.2
348	G	48.8	Very low	52	Low	16 Å²	16	63 Å²	63	17%	0.165	36%	0.355	C	S	.	.			trans	74.8	164.5	-170.4	0	0	0	0	0	111.8	E493	G348-E493 WeakPolarHBondContact CA-O 3.15Å
349	N	55.9	Low	55	Low	73 Å²	73	58.7 Å²	58.7	39%	0.39	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.1	174.2	-63.8	-41	0	0	0	109	A351 Q492 E493	N349-A351 PolarHBondContact O-N 2.77Å; N349-A351 VanDerWaalsContact O-N 3.11Å; N349-Q492 CarbonylContact O-C 3.6Å; N349-Q492 WeakPolarHBondContact O-CA 3.47Å; N349-Q492 PolarHBondContact O-OE1 3.43Å; N349-E493 PolarHBondContact N-O 2.75Å; N349-E493 PolarHBondContact O-N 3.44Å
350	A	60.9	Low	58.1	Low	20 Å²	20	55.4 Å²	55.4	17%	0.165	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	124.6	167.4	0	0	0	0	0	109.3	H245 L491	H245-A350 WeakPolarHBondContact CE1-CB 3.27Å; H245-A350 VanDerWaalsContact NE2-CB 3.35Å; H245-A350 WeakPolarHBondContact NE2-CB 3.34Å; H245-A350 PolarHBondContact NE2-N 3.39Å; H245-A350 VanDerWaalsContact NE2-N 3.16Å; A350-L491 CarbonylContact C-O 3.47Å
351	A	67.6	Low	61.1	Low	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-72.4	134.9	174	0	0	0	0	0	108.5	N349 H403 L491 E493	N349-A351 PolarHBondContact O-N 2.77Å; N349-A351 VanDerWaalsContact O-N 3.11Å; A351-H403 PolarHBondContact O-CE1 3.32Å; A351-H403 PolarHBondContact O-ND1 3.28Å; A351-L491 HydrophobicContact CB-CB 4.33Å; A351-L491 HydrophobicContact CB-CD2 3.95Å; A351-L491 HydrophobicContact CB-CG 3.92Å; A351-L491 WeakPolarHBondContact CB-O 3.5Å; A351-L491 PolarHBondContact N-O 3.22Å; A351-E493 HydrophobicContact CB-CB 4.03Å; A351-E493 HydrophobicContact CB-CG 4.1Å
352	L	63	Low	64.1	Low	36 Å²	36	47.8 Å²	47.8	19%	0.188	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.2	150.9	176.5	-62.2	163.9	0	0	0	110.8	W284 G354 T355	W284-L352 HydrophobicContact CG-CD1 4.31Å; L352-G354 PolarHBondContact O-N 2.78Å; L352-T355 WeakPolarHBondContact CB-OG1 3.26Å; L352-T355 PolarHBondContact N-OG1 2.77Å; L352-T355 VanDerWaalsContact O-CB 3.26Å; L352-T355 WeakPolarHBondContact O-CB 3.43Å; L352-T355 PolarHBondContact O-N 3.36Å; L352-T355 PolarHBondContact O-OG1 2.92Å
353	P	63.4	Low	67	Low	67 Å²	67	40.5 Å²	40.5	44%	0.435	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	124.1	173.8	-27.8	32.8	0	0	0	112.2	T355 H403 F454	P353-T355 VanDerWaalsContact C-N 3.35Å; P353-T355 PolarHBondContact O-N 2.78Å; P353-H403 HydrophobicContact CG-CB 4.45Å; P353-F454 HydrophobicContact CB-CD1 4.42Å; P353-F454 HydrophobicContact CB-CE1 4.06Å
354	G	66.4	Low	69.8	Low	15 Å²	15	37.9 Å²	37.9	16%	0.155	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	2.4	178.6	0	0	0	0	0	116	L352 H356 P357	L352-G354 PolarHBondContact O-N 2.78Å; G354-H356 VanDerWaalsContact C-N 3.34Å; G354-P357 WeakPolarHBondContact O-CD 3.33Å
355	T	74.1	Confident	72.6	Confident	14 Å²	14	28.3 Å²	28.3	9%	0.086	18%	0.175	C	C	.	.	S	Bend	trans	-66.4	-37	174.1	-56.3	0	0	0	0	112.1	K333 L352 P353 P357 E493	K333-T355 VanDerWaalsContact CB-O 3.28Å; K333-T355 WeakPolarHBondContact CB-O 3.38Å; L352-T355 WeakPolarHBondContact CB-OG1 3.26Å; L352-T355 PolarHBondContact N-OG1 2.77Å; L352-T355 VanDerWaalsContact O-CB 3.26Å; L352-T355 WeakPolarHBondContact O-CB 3.43Å; L352-T355 PolarHBondContact O-N 3.36Å; L352-T355 PolarHBondContact O-OG1 2.92Å; P353-T355 VanDerWaalsContact C-N 3.35Å; P353-T355 PolarHBondContact O-N 2.78Å; T355-P357 WeakPolarHBondContact O-CD 3.46Å; T355-E493 WeakPolarHBondContact CG2-OE2 3.26Å
356	H	87.4	Confident	74.6	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.037	20%	0.201	C	C	.	.	S	Bend	trans	-120.7	73.5	176.1	-58.6	-71.5	0	0	0	110	G354 W358 M359 L491 E493	G354-H356 VanDerWaalsContact C-N 3.34Å; H356-W358 HydrophobicContact CB-CZ2 4.36Å; H356-W358 AromaticContact ND1-CZ2 3.51Å; H356-W358 PolarHBondContact O-N 3.41Å; H356-M359 HydrophobicContact CB-CG 3.6Å; H356-M359 WeakPolarHBondContact O-CB 3.27Å; H356-M359 WeakPolarHBondContact O-CG 3.47Å; H356-M359 PolarHBondContact O-N 3.39Å; H356-M359 VanDerWaalsContact O-N 3.11Å; H356-L491 HydrophobicContact CB-CD2 4.36Å; H356-E493 IonicContact CD2-OE2 2.73Å; H356-E493 IonicContact CE1-OE2 2.87Å; H356-E493 PolarHBondContact CE1-OE2 2.92Å; H356-E493 VanDerWaalsContact NE2-CB 3.34Å; H356-E493 WeakPolarHBondContact NE2-CB 3.21Å; H356-E493 IonicContact NE2-OE2 3Å; H356-E493 PolarHBondContact NE2-OE2 3.23Å
357	P	87.6	Confident	76.7	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.6	-170.9	31.5	-37.8	0	0	0	113.8	G354 T355 F454 I455 R456	G354-P357 WeakPolarHBondContact O-CD 3.33Å; T355-P357 WeakPolarHBondContact O-CD 3.46Å; P357-F454 VanDerWaalsContact CA-O 3.27Å; P357-F454 WeakPolarHBondContact CA-O 3.4Å; P357-F454 WeakPolarHBondContact CB-O 3.5Å; P357-I455 CarbonylContact O-C 3.55Å; P357-I455 VanDerWaalsContact O-CA 3.3Å; P357-I455 WeakPolarHBondContact O-CA 3.4Å; P357-R456 CarbonylContact C-O 3.51Å; P357-R456 VanDerWaalsContact C-O 3.32Å; P357-R456 HydrophobicContact CB-CB 3.97Å; P357-R456 HydrophobicContact CB-CG 4.19Å; P357-R456 HydrophobicContact CG-CB 3.92Å; P357-R456 HydrophobicContact CG-CG 4.35Å; P357-R456 PolarHBondContact O-N 3.13Å; P357-R456 VanDerWaalsContact O-O 3.13Å
358	W	95.3	Very high	78.7	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.1	175.1	47.8	77.2	0	0	0	113.4	K333 H356 A360 S373 L374 R456 I458 A539 S546	K333-W358 HydrophobicContact CB-CH2 4.04Å; K333-W358 HydrophobicContact CB-CZ3 4.08Å; K333-W358 HydrophobicContact CD-CH2 4.33Å; H356-W358 HydrophobicContact CB-CZ2 4.36Å; H356-W358 AromaticContact ND1-CZ2 3.51Å; H356-W358 PolarHBondContact O-N 3.41Å; W358-A360 PolarHBondContact O-N 2.97Å; W358-S373 CarbonylContact O-C 3.45Å; W358-S373 WeakPolarHBondContact O-CA 3.27Å; W358-L374 PolarHBondContact O-N 2.74Å; W358-R456 WeakPolarHBondContact CA-O 3.3Å; W358-R456 VanDerWaalsContact CB-O 3.29Å; W358-R456 WeakPolarHBondContact CB-O 3.38Å; W358-R456 PolarHBondContact N-O 3.39Å; W358-I458 HydrophobicContact CB-CB 3.77Å; W358-I458 HydrophobicContact CB-CG2 4.15Å; W358-I458 HydrophobicContact CD2-CB 3.81Å; W358-I458 HydrophobicContact CD2-CD1 4.07Å; W358-I458 HydrophobicContact CD2-CG1 4.16Å; W358-I458 HydrophobicContact CE3-CB 4.06Å; W358-I458 HydrophobicContact CE3-CG1 4.35Å; W358-I458 HydrophobicContact CG-CB 3.68Å; W358-I458 HydrophobicContact CG-CD1 4.3Å; W358-I458 HydrophobicContact CG-CG1 4.42Å; W358-I458 HydrophobicContact CG-CG2 4.29Å; W358-I458 HydrophobicContact CZ2-CD1 4.36Å; W358-A539 HydrophobicContact CZ2-CB 4.37Å; W358-S546 WeakPolarHBondContact CH2-OG 3.32Å
359	M	94.4	Very high	80.6	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.02	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.7	-178.8	-71.9	-57.6	-62.2	0	0	111.6	H356 S476 W478 L491 P537	H356-M359 HydrophobicContact CB-CG 3.6Å; H356-M359 WeakPolarHBondContact O-CB 3.27Å; H356-M359 WeakPolarHBondContact O-CG 3.47Å; H356-M359 PolarHBondContact O-N 3.39Å; H356-M359 VanDerWaalsContact O-N 3.11Å; M359-S476 VanDerWaalsContact CE-O 3.3Å; M359-S476 WeakPolarHBondContact CE-O 2.97Å; M359-S476 PolarHBondContact SD-OG 2.94Å; M359-W478 HydrophobicContact CB-CH2 3.75Å; M359-W478 HydrophobicContact CB-CZ3 4.33Å; M359-W478 HydrophobicContact CE-CE3 4.05Å; M359-W478 HydrophobicContact CE-CH2 3.98Å; M359-W478 HydrophobicContact CE-CZ3 3.41Å; M359-W478 VanDerWaalsContact CE-CZ3 3.41Å; M359-L491 HydrophobicContact CE-CD1 4.01Å; M359-L491 HydrophobicContact CG-CD1 4.13Å; M359-L491 HydrophobicContact CG-CD2 4.09Å; M359-P537 WeakPolarHBondContact SD-CD 3.46Å; M359-P537 HydrophobicContact SD-CG 3.51Å; M359-P537 VanDerWaalsContact SD-CG 3.51Å
360	A	96.1	Very high	82.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	172.1	0	0	0	0	0	109.4	W358 G371 G372 V380 V398 L400	W358-A360 PolarHBondContact O-N 2.97Å; A360-G371 CarbonylContact O-C 3.5Å; A360-G372 PolarHBondContact N-O 3.28Å; A360-G372 PolarHBondContact O-N 3Å; A360-V380 HydrophobicContact CB-CG1 3.7Å; A360-V380 HydrophobicContact CB-CG2 4.16Å; A360-V398 HydrophobicContact CB-CG1 3.97Å; A360-L400 HydrophobicContact CB-CD2 3.67Å
361	A	93.9	Very high	83.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.4	170.4	0	0	0	0	0	108.3	Y363 F369 V398 V399 W478	A361-Y363 HydrophobicContact CB-CE2 3.9Å; A361-F369 HydrophobicContact CB-CE2 3.85Å; A361-F369 HydrophobicContact CB-CZ 4.18Å; A361-V398 CarbonylContact O-C 3.54Å; A361-V398 WeakPolarHBondContact O-CA 3.38Å; A361-V399 HydrophobicContact CB-CB 4.28Å; A361-V399 PolarHBondContact N-O 2.75Å; A361-V399 PolarHBondContact O-N 2.65Å; A361-W478 HydrophobicContact CB-CH2 3.89Å; A361-W478 HydrophobicContact CB-CZ2 4.39Å; A361-W478 HydrophobicContact CB-CZ3 4.06Å
362	I	94.6	Very high	85.1	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.6	-175.8	-54	169.9	0	0	0	107.9	I364 F369 C370 G371 V380 S382 F387 V398 I439	I362-I364 HydrophobicContact CG2-CD1 4.27Å; I362-I364 HydrophobicContact CG2-CG1 3.96Å; I362-F369 WeakPolarHBondContact O-CA 3.38Å; I362-F369 WeakPolarHBondContact O-CD2 3.48Å; I362-C370 WeakPolarHBondContact CA-O 3.3Å; I362-C370 WeakPolarHBondContact CB-O 3.48Å; I362-C370 PolarHBondContact N-O 3.09Å; I362-C370 PolarHBondContact O-N 2.84Å; I362-G371 WeakPolarHBondContact CD1-O 3.38Å; I362-V380 HydrophobicContact CD1-CG1 4.38Å; I362-S382 WeakPolarHBondContact CD1-OG 3.47Å; I362-F387 HydrophobicContact CG2-CZ 3.96Å; I362-V398 HydrophobicContact CG1-CG2 4.39Å; I362-I439 HydrophobicContact CD1-CD1 3.53Å; I362-I439 HydrophobicContact CG1-CD1 4.42Å
363	Y	92.7	Very high	86.8	Confident	20 Å²	20	27.9 Å²	27.9	8%	0.078	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.2	175.3	-62.7	-86.7	0	0	0	109.2	A361 F369 R397 V399 Q402 F405 N406	A361-Y363 HydrophobicContact CB-CE2 3.9Å; Y363-F369 AromaticContact CD1-CD2 3.94Å; Y363-F369 HydrophobicContact CD1-CD2 3.94Å; Y363-F369 AromaticContact CE1-CD2 3.78Å; Y363-F369 HydrophobicContact CE1-CD2 3.78Å; Y363-F369 HydrophobicContact CE1-CE2 4.05Å; Y363-F369 HydrophobicContact CE2-CE2 4.37Å; Y363-F369 HydrophobicContact CG-CD2 4.45Å; Y363-F369 AromaticContact CZ-CE2 3.96Å; Y363-R397 VanDerWaalsContact CD2-NH1 3.3Å; Y363-R397 PolarHBondContact N-O 3.41Å; Y363-R397 PolarHBondContact O-N 2.99Å; Y363-V399 HydrophobicContact CD2-CG2 4.07Å; Y363-V399 HydrophobicContact CE2-CB 4.43Å; Y363-V399 HydrophobicContact CE2-CG2 3.79Å; Y363-Q402 PolarHBondContact OH-NE2 3.14Å; Y363-Q402 PolarHBondContact OH-OE1 2.79Å; Y363-F405 HydrophobicContact CE1-CE2 4.19Å; Y363-F405 HydrophobicContact CE1-CZ 4.17Å; Y363-N406 HydrophobicContact CE1-CB 4.49Å; Y363-N406 VanDerWaalsContact OH-CA 3.26Å; Y363-N406 WeakPolarHBondContact OH-CA 3.38Å; Y363-N406 PolarHBondContact OH-N 3.12Å
364	I	90.4	Very high	88.4	Confident	3 Å²	3	24.8 Å²	24.8	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	110	-175.3	-52.6	179.9	0	0	0	107.8	I362 D368 C386 F387 P391 L396	I362-I364 HydrophobicContact CG2-CD1 4.27Å; I362-I364 HydrophobicContact CG2-CG1 3.96Å; I364-D368 HydrophobicContact CB-CB 3.95Å; I364-D368 HydrophobicContact CG2-CB 4.42Å; I364-D368 PolarHBondContact N-O 2.72Å; I364-D368 WeakPolarHBondContact O-CB 3.05Å; I364-D368 PolarHBondContact O-N 2.95Å; I364-C386 HydrophobicContact CD1-CB 4.13Å; I364-C386 WeakPolarHBondContact CD1-O 3.11Å; I364-F387 HydrophobicContact CD1-CD1 4.36Å; I364-F387 HydrophobicContact CD1-CE1 4.14Å; I364-F387 HydrophobicContact CD1-CE2 4.36Å; I364-F387 HydrophobicContact CD1-CZ 4.13Å; I364-P391 HydrophobicContact CG2-CB 3.68Å; I364-P391 HydrophobicContact CG2-CG 3.73Å; I364-L396 HydrophobicContact CB-CD2 4.08Å; I364-L396 HydrophobicContact CD1-CD2 4.4Å; I364-L396 HydrophobicContact CG1-CD2 3.72Å; I364-L396 HydrophobicContact CG2-CD2 3.84Å
365	G	85.6	Confident	89.8	Confident	44 Å²	44	24.8 Å²	24.8	45%	0.454	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-138	-176.5	0	0	0	0	0	112.5	Q395	G365-Q395 PolarHBondContact N-O 2.88Å
366	Q	75	Confident	90.8	Very high	209 Å²	209	25.6 Å²	25.6	98%	0.977	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-28.6	-176.4	-67.7	-172.1	-8.7	0	0	114
367	S	74.1	Confident	90.9	Very high	95 Å²	95	27.7 Å²	27.7	66%	0.664	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.3	-26.2	-169.4	53.7	0	0	0	0	114.7
368	D	84.9	Confident	91.2	Very high	74 Å²	74	28.7 Å²	28.7	40%	0.396	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	141.9	-164.8	-59.3	-14.9	0	0	0	111	I364	I364-D368 HydrophobicContact CB-CB 3.95Å; I364-D368 HydrophobicContact CG2-CB 4.42Å; I364-D368 PolarHBondContact N-O 2.72Å; I364-D368 WeakPolarHBondContact O-CB 3.05Å; I364-D368 PolarHBondContact O-N 2.95Å
369	F	88.5	Confident	91.3	Very high	18 Å²	18	29.4 Å²	29.4	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	136.1	-173.4	178.1	-97.1	0	0	0	111.5	A361 I362 Y363 F405 W478 G532	A361-F369 HydrophobicContact CB-CE2 3.85Å; A361-F369 HydrophobicContact CB-CZ 4.18Å; I362-F369 WeakPolarHBondContact O-CA 3.38Å; I362-F369 WeakPolarHBondContact O-CD2 3.48Å; Y363-F369 AromaticContact CD1-CD2 3.94Å; Y363-F369 HydrophobicContact CD1-CD2 3.94Å; Y363-F369 AromaticContact CE1-CD2 3.78Å; Y363-F369 HydrophobicContact CE1-CD2 3.78Å; Y363-F369 HydrophobicContact CE1-CE2 4.05Å; Y363-F369 HydrophobicContact CE2-CE2 4.37Å; Y363-F369 HydrophobicContact CG-CD2 4.45Å; Y363-F369 AromaticContact CZ-CE2 3.96Å; F369-F405 HydrophobicContact CB-CE2 4.38Å; F369-F405 AromaticContact CD1-CE2 3.96Å; F369-F405 HydrophobicContact CD1-CE2 3.96Å; F369-F405 HydrophobicContact CD2-CD2 4.47Å; F369-F405 AromaticContact CD2-CE2 3.59Å; F369-F405 HydrophobicContact CD2-CE2 3.59Å; F369-F405 HydrophobicContact CD2-CZ 4.34Å; F369-F405 HydrophobicContact CE1-CD2 4.43Å; F369-F405 HydrophobicContact CE1-CE2 4.1Å; F369-F405 HydrophobicContact CE2-CD2 4.17Å; F369-F405 AromaticContact CE2-CE2 3.72Å; F369-F405 HydrophobicContact CE2-CE2 3.72Å; F369-F405 AromaticContact CG-CE2 3.69Å; F369-F405 HydrophobicContact CG-CE2 3.69Å; F369-F405 HydrophobicContact CG-CZ 4.38Å; F369-F405 HydrophobicContact CZ-CD2 4.15Å; F369-F405 AromaticContact CZ-CE2 3.97Å; F369-F405 HydrophobicContact CZ-CE2 3.97Å; F369-W478 HydrophobicContact CE1-CB 4.06Å; F369-W478 HydrophobicContact CE1-CE3 4.15Å; F369-W478 HydrophobicContact CZ-CB 4.23Å; F369-W478 HydrophobicContact CZ-CD2 4.09Å; F369-W478 AromaticContact CZ-CE3 3.64Å; F369-W478 HydrophobicContact CZ-CE3 3.64Å; F369-W478 HydrophobicContact CZ-CG 4.36Å; F369-W478 HydrophobicContact CZ-CZ3 4.26Å; F369-G532 WeakPolarHBondContact CE1-O 3.4Å
370	C	91.4	Very high	91.5	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.3	169.9	-79.4	0	0	0	0	112.1	I362 C386 S534	I362-C370 WeakPolarHBondContact CA-O 3.3Å; I362-C370 WeakPolarHBondContact CB-O 3.48Å; I362-C370 PolarHBondContact N-O 3.09Å; I362-C370 PolarHBondContact O-N 2.84Å; C370-C386 HydrophobicContact CB-CB 3.79Å; C370-C386 WeakPolarHBondContact CB-SG 3.47Å; C370-C386 WeakPolarHBondContact SG-CB 3.48Å; C370-C386 CovalentContact SG-SG 2.02Å; C370-C386 PolarHBondContact SG-SG 3.43Å; C370-S534 WeakPolarHBondContact CB-O 3.27Å
371	G	92.9	Very high	91.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	165.3	165.2	0	0	0	0	0	112.2	A360 I362 S382 S534 G535	A360-G371 CarbonylContact O-C 3.5Å; I362-G371 WeakPolarHBondContact CD1-O 3.38Å; G371-S382 PolarHBondContact O-OG 2.67Å; G371-S534 WeakPolarHBondContact CA-O 3.5Å; G371-S534 PolarHBondContact N-O 3.22Å; G371-G535 VanDerWaalsContact C-C 3.49Å; G371-G535 CarbonylContact C-O 3.57Å; G371-G535 CarbonylContact O-C 3.57Å; G371-G535 WeakPolarHBondContact O-CA 3.45Å
372	G	95.9	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	170.5	175.5	0	0	0	0	0	111.2	A360 L381 G535	A360-G372 PolarHBondContact N-O 3.28Å; A360-G372 PolarHBondContact O-N 3Å; G372-L381 CarbonylContact C-O 3.32Å; G372-L381 WeakPolarHBondContact CA-O 3.01Å; G372-G535 WeakPolarHBondContact CA-O 3.42Å
373	S	97.8	Very high	91.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.2	-179.7	-59.3	0	0	0	0	110.8	W358 I375 V380 L381 P537	W358-S373 CarbonylContact O-C 3.45Å; W358-S373 WeakPolarHBondContact O-CA 3.27Å; S373-I375 PolarHBondContact O-N 2.95Å; S373-V380 CarbonylContact O-C 3.57Å; S373-V380 WeakPolarHBondContact O-CA 3.2Å; S373-L381 PolarHBondContact N-O 2.6Å; S373-L381 PolarHBondContact O-N 3.39Å; S373-P537 WeakPolarHBondContact OG-CB 3.27Å
374	L	97.4	Very high	91.8	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	114.8	169.5	-171.6	72.3	0	0	0	108.9	W358 S376 V380 L400 L441 V449 I455 P457 I458	W358-L374 PolarHBondContact O-N 2.74Å; L374-S376 WeakPolarHBondContact CD1-O 3.43Å; L374-S376 WeakPolarHBondContact CG-O 3.14Å; L374-V380 HydrophobicContact CD1-CG2 3.89Å; L374-L400 HydrophobicContact CB-CD2 4.42Å; L374-L400 HydrophobicContact CD1-CD1 3.99Å; L374-L400 HydrophobicContact CD1-CD2 4.39Å; L374-L400 HydrophobicContact CD2-CD1 4.2Å; L374-L441 HydrophobicContact CD1-CD1 4.33Å; L374-V449 HydrophobicContact CD1-CG2 4.48Å; L374-V449 HydrophobicContact CD2-CG1 4.37Å; L374-I455 HydrophobicContact CD2-CG2 3.88Å; L374-P457 HydrophobicContact CG-CB 4.38Å; L374-P457 CarbonylContact O-C 3.59Å; L374-P457 WeakPolarHBondContact O-CA 3.09Å; L374-I458 PolarHBondContact O-N 2.79Å
375	I	96.6	Very high	91.8	Very high	15 Å²	15	30.1 Å²	30.1	8%	0.077	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-19.4	-179	57.4	163.2	0	0	0	112.4	S373 W379 L381 L438 I458 L460 L548 I577 I581	S373-I375 PolarHBondContact O-N 2.95Å; I375-W379 HydrophobicContact CD1-CB 4.29Å; I375-W379 HydrophobicContact CG1-CB 4.02Å; I375-W379 VanDerWaalsContact CG1-O 3.32Å; I375-W379 WeakPolarHBondContact CG1-O 3.03Å; I375-W379 PolarHBondContact N-O 3.43Å; I375-L381 HydrophobicContact CD1-CB 4.27Å; I375-L381 HydrophobicContact CG2-CB 3.9Å; I375-L438 HydrophobicContact CD1-CD2 3.65Å; I375-I458 HydrophobicContact CG2-CG2 4.19Å; I375-L460 HydrophobicContact CB-CD2 4.38Å; I375-L460 HydrophobicContact CB-CG 4.47Å; I375-L460 HydrophobicContact CD1-CD1 4.43Å; I375-L460 HydrophobicContact CG2-CD2 3.96Å; I375-L548 HydrophobicContact CG2-CD2 3.74Å; I375-I577 HydrophobicContact CD1-CG2 4.03Å; I375-I581 HydrophobicContact CD1-CD1 4.03Å
376	S	93.5	Very high	92.1	Very high	32 Å²	32	28.5 Å²	28.5	22%	0.224	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	176.4	170.3	74.5	0	0	0	0	109.8	L374 C378 W379	L374-S376 WeakPolarHBondContact CD1-O 3.43Å; L374-S376 WeakPolarHBondContact CG-O 3.14Å; S376-C378 PolarHBondContact O-N 3.14Å; S376-C378 VanDerWaalsContact O-N 3.08Å; S376-W379 PolarHBondContact N-O 2.85Å; S376-W379 PolarHBondContact O-N 2.84Å; S376-W379 WeakPolarHBondContact OG-CB 3.27Å; S376-W379 VanDerWaalsContact OG-CD1 3.26Å; S376-W379 PolarHBondContact OG-N 3.33Å
377	S	91.1	Very high	92.8	Very high	51 Å²	51	18.6 Å²	18.6	36%	0.357	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.4	-175.9	53.8	0	0	0	0	114.5	C448 V449	S377-C448 WeakPolarHBondContact O-CB 3.36Å; S377-V449 WeakPolarHBondContact O-CB 3.43Å; S377-V449 WeakPolarHBondContact O-CG2 3.47Å; S377-V449 PolarHBondContact O-N 3.09Å
378	C	93.8	Very high	93.2	Very high	23 Å²	23	20.3 Å²	20.3	16%	0.155	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	1.3	-177.2	-35.6	0	0	0	0	113.4	S376 L441 C448	S376-C378 PolarHBondContact O-N 3.14Å; S376-C378 VanDerWaalsContact O-N 3.08Å; C378-L441 PolarHBondContact O-N 3.44Å; C378-C448 HydrophobicContact CB-CB 3.97Å; C378-C448 WeakPolarHBondContact CB-SG 3.12Å; C378-C448 WeakPolarHBondContact SG-CB 3.11Å; C378-C448 CovalentContact SG-SG 2.02Å; C378-C448 PolarHBondContact SG-SG 3.42Å
379	W	97.3	Very high	93.2	Very high	16 Å²	16	19.9 Å²	19.9	6%	0.061	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.7	-169.9	-64.8	93	0	0	0	111.8	I375 S376 L438 I439 K440 V580 I581	I375-W379 HydrophobicContact CD1-CB 4.29Å; I375-W379 HydrophobicContact CG1-CB 4.02Å; I375-W379 VanDerWaalsContact CG1-O 3.32Å; I375-W379 WeakPolarHBondContact CG1-O 3.03Å; I375-W379 PolarHBondContact N-O 3.43Å; S376-W379 PolarHBondContact N-O 2.85Å; S376-W379 PolarHBondContact O-N 2.84Å; S376-W379 WeakPolarHBondContact OG-CB 3.27Å; S376-W379 VanDerWaalsContact OG-CD1 3.26Å; S376-W379 PolarHBondContact OG-N 3.33Å; W379-L438 HydrophobicContact CE3-CB 4.1Å; W379-L438 HydrophobicContact CE3-CD2 4.06Å; W379-L438 HydrophobicContact CZ3-CB 4.03Å; W379-I439 WeakPolarHBondContact CA-O 3.33Å; W379-K440 HydrophobicContact CD2-CB 4.42Å; W379-K440 HydrophobicContact CD2-CG 4.39Å; W379-K440 HydrophobicContact CE3-CB 3.97Å; W379-K440 HydrophobicContact CE3-CG 4.42Å; W379-K440 HydrophobicContact CH2-CB 3.85Å; W379-K440 HydrophobicContact CH2-CD 3.94Å; W379-K440 HydrophobicContact CH2-CG 4.02Å; W379-K440 HydrophobicContact CZ2-CB 4.29Å; W379-K440 HydrophobicContact CZ2-CD 3.85Å; W379-K440 HydrophobicContact CZ2-CG 3.96Å; W379-K440 HydrophobicContact CZ3-CB 3.67Å; W379-K440 HydrophobicContact CZ3-CG 4.24Å; W379-V580 HydrophobicContact CH2-CG1 3.76Å; W379-V580 HydrophobicContact CZ3-CG1 3.92Å; W379-I581 HydrophobicContact CD2-CG1 4Å; W379-I581 HydrophobicContact CG-CD1 4.41Å; W379-I581 HydrophobicContact CG-CG1 4.02Å
380	V	98.1	Very high	93.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.6	172.6	174.2	0	0	0	0	108.6	A360 I362 S373 L374 V398 I439 L441	A360-V380 HydrophobicContact CB-CG1 3.7Å; A360-V380 HydrophobicContact CB-CG2 4.16Å; I362-V380 HydrophobicContact CD1-CG1 4.38Å; S373-V380 CarbonylContact O-C 3.57Å; S373-V380 WeakPolarHBondContact O-CA 3.2Å; L374-V380 HydrophobicContact CD1-CG2 3.89Å; V380-V398 HydrophobicContact CG2-CG1 4.3Å; V380-I439 HydrophobicContact CB-CB 4.26Å; V380-I439 HydrophobicContact CG1-CD1 4.35Å; V380-I439 PolarHBondContact N-O 3.31Å; V380-I439 PolarHBondContact O-N 2.87Å; V380-L441 HydrophobicContact CG2-CD1 4.18Å; V380-L441 HydrophobicContact CG2-CD2 4.23Å; V380-L441 HydrophobicContact CG2-CG 4.35Å
381	L	98.1	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.4	173.6	-162.2	66	0	0	0	109.1	G372 S373 I375 I436 V437 L438 L548 I551 V570 W576 I577	G372-L381 CarbonylContact C-O 3.32Å; G372-L381 WeakPolarHBondContact CA-O 3.01Å; S373-L381 PolarHBondContact N-O 2.6Å; S373-L381 PolarHBondContact O-N 3.39Å; I375-L381 HydrophobicContact CD1-CB 4.27Å; I375-L381 HydrophobicContact CG2-CB 3.9Å; L381-I436 HydrophobicContact CD1-CD1 3.73Å; L381-I436 HydrophobicContact CD1-CG1 3.69Å; L381-I436 HydrophobicContact CD2-CD1 4.11Å; L381-I436 HydrophobicContact CG-CD1 4.21Å; L381-I436 HydrophobicContact CG-CG1 4.23Å; L381-V437 WeakPolarHBondContact CD1-O 3.34Å; L381-L438 HydrophobicContact CD1-CD2 3.65Å; L381-L438 HydrophobicContact CD1-CG 3.82Å; L381-L548 HydrophobicContact CB-CD2 4.32Å; L381-L548 HydrophobicContact CD2-CD2 3.69Å; L381-I551 HydrophobicContact CD2-CD1 3.73Å; L381-I551 HydrophobicContact CD2-CG1 4.33Å; L381-I551 HydrophobicContact CG-CD1 3.77Å; L381-V570 HydrophobicContact CD2-CG1 4.4Å; L381-V570 HydrophobicContact CD2-CG2 4.38Å; L381-W576 HydrophobicContact CD1-CZ3 4.5Å; L381-I577 HydrophobicContact CD1-CD1 4.43Å; L381-I577 HydrophobicContact CD1-CG1 4.44Å; L381-I577 HydrophobicContact CD2-CD1 4.06Å
382	S	96.9	Very high	93	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-176	-179.9	-172.8	0	0	0	0	110.1	I362 G371 V437 G535	I362-S382 WeakPolarHBondContact CD1-OG 3.47Å; G371-S382 PolarHBondContact O-OG 2.67Å; S382-V437 PolarHBondContact N-O 3.11Å; S382-V437 VanDerWaalsContact N-O 3.1Å; S382-V437 PolarHBondContact O-N 3.28Å; S382-G535 WeakPolarHBondContact OG-CA 3.49Å
383	A	95.4	Very high	92.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.			trans	-82.5	140.7	174.8	0	0	0	0	0	110.5	C386 V437 I551	A383-C386 WeakPolarHBondContact O-CB 3.31Å; A383-V437 VanDerWaalsContact O-CG1 3.29Å; A383-V437 WeakPolarHBondContact O-CG1 3.33Å; A383-I551 HydrophobicContact CB-CG2 4.2Å
384	A	94.3	Very high	92.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-73.3	-31.7	-179.8	0	0	0	0	0	112.6	C386 F387 F422 F426 D435 V437	A384-C386 PolarHBondContact O-N 2.98Å; A384-C386 VanDerWaalsContact O-N 3.12Å; A384-F387 PolarHBondContact O-N 2.77Å; A384-F422 HydrophobicContact CB-CD1 3.74Å; A384-F422 HydrophobicContact CB-CE1 3.98Å; A384-F426 HydrophobicContact CB-CD1 3.89Å; A384-F426 HydrophobicContact CB-CD2 3.56Å; A384-F426 HydrophobicContact CB-CE1 3.78Å; A384-F426 HydrophobicContact CB-CE2 3.44Å; A384-F426 VanDerWaalsContact CB-CE2 3.44Å; A384-F426 HydrophobicContact CB-CG 3.79Å; A384-F426 HydrophobicContact CB-CZ 3.55Å; A384-D435 WeakPolarHBondContact CA-OD1 3.33Å; A384-D435 PolarHBondContact N-OD1 2.93Å; A384-V437 HydrophobicContact CB-CB 4.25Å
385	H	90.4	Very high	92.5	Very high	43 Å²	43	43 Å²	43	20%	0.199	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25	178.3	75	-103.6	0	0	0	112.7	F387 F388 P431 D435 S534 S553	H385-F387 PolarHBondContact O-N 3.1Å; H385-F387 VanDerWaalsContact O-N 3.15Å; H385-F388 WeakPolarHBondContact O-CB 3.44Å; H385-F388 WeakPolarHBondContact O-CD1 3.41Å; H385-F388 PolarHBondContact O-N 3.28Å; H385-P431 HydrophobicContact CB-CB 4.22Å; H385-D435 IonicContact CE1-OD2 3.82Å; H385-D435 IonicContact CG-OD1 3.77Å; H385-D435 IonicContact CG-OD2 3.88Å; H385-D435 PolarHBondContact N-OD1 2.81Å; H385-D435 IonicContact ND1-OD1 3.1Å; H385-D435 PolarHBondContact ND1-OD1 3.34Å; H385-D435 IonicContact ND1-OD2 3.36Å; H385-D435 PolarHBondContact ND1-OD2 2.91Å; H385-S534 VanDerWaalsContact NE2-CB 3.29Å; H385-S534 WeakPolarHBondContact NE2-CB 3.22Å; H385-S534 PolarHBondContact NE2-OG 3.12Å; H385-S534 VanDerWaalsContact NE2-OG 3.17Å; H385-S553 PolarHBondContact CE1-O 2.84Å
386	C	90.4	Very high	92.4	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.061	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.4	172.7	-66.1	0	0	0	0	113.3	I364 C370 A383 A384	I364-C386 HydrophobicContact CD1-CB 4.13Å; I364-C386 WeakPolarHBondContact CD1-O 3.11Å; C370-C386 HydrophobicContact CB-CB 3.79Å; C370-C386 WeakPolarHBondContact CB-SG 3.47Å; C370-C386 WeakPolarHBondContact SG-CB 3.48Å; C370-C386 CovalentContact SG-SG 2.02Å; C370-C386 PolarHBondContact SG-SG 3.43Å; A383-C386 WeakPolarHBondContact O-CB 3.31Å; A384-C386 PolarHBondContact O-N 2.98Å; A384-C386 VanDerWaalsContact O-N 3.12Å
387	F	90.1	Very high	92.4	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-114	17	-174.8	-60.4	-100.2	0	0	0	112.1	I362 I364 A384 H385 S389 N390 P391 L396 Y420 F422 V437 I439	I362-F387 HydrophobicContact CG2-CZ 3.96Å; I364-F387 HydrophobicContact CD1-CD1 4.36Å; I364-F387 HydrophobicContact CD1-CE1 4.14Å; I364-F387 HydrophobicContact CD1-CE2 4.36Å; I364-F387 HydrophobicContact CD1-CZ 4.13Å; A384-F387 PolarHBondContact O-N 2.77Å; H385-F387 PolarHBondContact O-N 3.1Å; H385-F387 VanDerWaalsContact O-N 3.15Å; F387-S389 PolarHBondContact O-N 3.1Å; F387-N390 WeakPolarHBondContact O-CA 3.41Å; F387-N390 PolarHBondContact O-N 3.1Å; F387-P391 HydrophobicContact CD1-CG 3.84Å; F387-L396 HydrophobicContact CD1-CD1 4.15Å; F387-L396 HydrophobicContact CD1-CD2 4.11Å; F387-L396 HydrophobicContact CE1-CD1 3.71Å; F387-L396 HydrophobicContact CE1-CD2 3.61Å; F387-L396 HydrophobicContact CE1-CG 4.3Å; F387-Y420 HydrophobicContact CD1-CD2 4.27Å; F387-Y420 HydrophobicContact CD1-CG 4.31Å; F387-F422 HydrophobicContact CB-CE1 3.79Å; F387-F422 HydrophobicContact CB-CZ 3.61Å; F387-V437 HydrophobicContact CD2-CG1 3.79Å; F387-V437 HydrophobicContact CE2-CG1 3.69Å; F387-I439 HydrophobicContact CE1-CD1 4.48Å; F387-I439 HydrophobicContact CE2-CD1 3.98Å; F387-I439 HydrophobicContact CZ-CD1 3.51Å; F387-I439 HydrophobicContact CZ-CG1 4.08Å
388	F	83.2	Confident	92.7	Very high	131 Å²	131	42.4 Å²	42.4	58%	0.575	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.6	-178.1	79.5	-60.8	0	0	0	113.6	H385 N390	H385-F388 WeakPolarHBondContact O-CB 3.44Å; H385-F388 WeakPolarHBondContact O-CD1 3.41Å; H385-F388 PolarHBondContact O-N 3.28Å; F388-N390 PolarHBondContact O-N 3.04Å
389	S	84.3	Confident	92.7	Very high	66 Å²	66	41.3 Å²	41.3	46%	0.462	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1.1	174.9	56.8	0	0	0	0	113.8	F387	F387-S389 PolarHBondContact O-N 3.1Å
390	N	85.6	Confident	92.6	Very high	108 Å²	108	40.5 Å²	40.5	58%	0.578	21%	0.21	S	C	*	.			trans	49	57.9	-174.9	-164.2	27.9	0	0	0	112.9	F387 F388 Y420	F387-N390 WeakPolarHBondContact O-CA 3.41Å; F387-N390 PolarHBondContact O-N 3.1Å; F388-N390 PolarHBondContact O-N 3.04Å; N390-Y420 PolarHBondContact OD1-OH 2.98Å
391	P	90.6	Very high	91.8	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.032	22%	0.218	C	C	.	.			trans	-63.9	144.8	-173.9	28.5	-36.7	0	0	0	111.8	I364 F387 L396 Y420	I364-P391 HydrophobicContact CG2-CB 3.68Å; I364-P391 HydrophobicContact CG2-CG 3.73Å; F387-P391 HydrophobicContact CD1-CG 3.84Å; P391-L396 HydrophobicContact CB-CD2 4.12Å; P391-L396 HydrophobicContact CG-CD2 3.77Å; P391-L396 HydrophobicContact CG-CG 4.39Å; P391-Y420 PolarHBondContact O-OH 3.12Å
392	L	92.6	Very high	91.2	Very high	111 Å²	111	41.7 Å²	41.7	58%	0.581	22%	0.22	S	C	*	.			trans	-62.5	142.9	175.1	-66.9	173.1	0	0	0	110	S394 Q395	L392-S394 PolarHBondContact O-N 3.47Å; L392-S394 VanDerWaalsContact O-N 3.1Å; L392-Q395 HydrophobicContact CB-CG 4.11Å; L392-Q395 VanDerWaalsContact N-OE1 3.13Å; L392-Q395 WeakPolarHBondContact O-CA 3.45Å; L392-Q395 VanDerWaalsContact O-CB 3.32Å; L392-Q395 WeakPolarHBondContact O-CB 3.43Å; L392-Q395 PolarHBondContact O-N 2.91Å
393	K	94.1	Very high	90.1	Very high	89 Å²	89	43 Å²	43	39%	0.387	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.3	-33.2	179.3	-61.4	173.7	178.4	-165.7	0	113.1	Q395 L396 E418 D419 Y420	K393-Q395 PolarHBondContact O-N 2.83Å; K393-L396 WeakPolarHBondContact O-CB 3.29Å; K393-L396 PolarHBondContact O-N 2.04Å; K393-E418 WeakPolarHBondContact CD-O 3.48Å; K393-E418 PolarHBondContact NZ-O 3.17Å; K393-D419 VanDerWaalsContact CE-OD1 3.3Å; K393-D419 WeakPolarHBondContact CE-OD1 3.46Å; K393-D419 IonicContact NZ-OD1 3.68Å; K393-D419 PolarHBondContact NZ-OD1 2.99Å; K393-Y420 HydrophobicContact CG-CD1 4.39Å; K393-Y420 HydrophobicContact CG-CE1 4.03Å
394	S	92.6	Very high	89.2	Confident	108 Å²	108	46.2 Å²	46.2	76%	0.755	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-68.3	-19.9	175.8	51.6	0	0	0	0	114	L392 L396	L392-S394 PolarHBondContact O-N 3.47Å; L392-S394 VanDerWaalsContact O-N 3.1Å; S394-L396 VanDerWaalsContact C-N 3.33Å
395	Q	93	Very high	88.5	Confident	94 Å²	94	48.4 Å²	48.4	44%	0.439	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-88.2	-4.4	175.7	-63.1	171.5	-26.2	0	0	112.4	G365 L392 K393	G365-Q395 PolarHBondContact N-O 2.88Å; L392-Q395 HydrophobicContact CB-CG 4.11Å; L392-Q395 VanDerWaalsContact N-OE1 3.13Å; L392-Q395 WeakPolarHBondContact O-CA 3.45Å; L392-Q395 VanDerWaalsContact O-CB 3.32Å; L392-Q395 WeakPolarHBondContact O-CB 3.43Å; L392-Q395 PolarHBondContact O-N 2.91Å; K393-Q395 PolarHBondContact O-N 2.83Å
396	L	94.7	Very high	88	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129	-177.3	-61.7	177	0	0	0	111	I364 F387 P391 K393 S394 V417 Y420	I364-L396 HydrophobicContact CB-CD2 4.08Å; I364-L396 HydrophobicContact CD1-CD2 4.4Å; I364-L396 HydrophobicContact CG1-CD2 3.72Å; I364-L396 HydrophobicContact CG2-CD2 3.84Å; F387-L396 HydrophobicContact CD1-CD1 4.15Å; F387-L396 HydrophobicContact CD1-CD2 4.11Å; F387-L396 HydrophobicContact CE1-CD1 3.71Å; F387-L396 HydrophobicContact CE1-CD2 3.61Å; F387-L396 HydrophobicContact CE1-CG 4.3Å; P391-L396 HydrophobicContact CB-CD2 4.12Å; P391-L396 HydrophobicContact CG-CD2 3.77Å; P391-L396 HydrophobicContact CG-CG 4.39Å; K393-L396 WeakPolarHBondContact O-CB 3.29Å; K393-L396 PolarHBondContact O-N 2.04Å; S394-L396 VanDerWaalsContact C-N 3.33Å; L396-V417 HydrophobicContact CB-CB 3.93Å; L396-V417 HydrophobicContact CB-CG2 3.59Å; L396-V417 HydrophobicContact CD1-CB 4.22Å; L396-V417 HydrophobicContact CD1-CG1 4.06Å; L396-V417 HydrophobicContact CD1-CG2 4.29Å; L396-Y420 HydrophobicContact CD1-CD1 3.5Å; L396-Y420 VanDerWaalsContact CD1-CD1 3.5Å; L396-Y420 HydrophobicContact CD1-CE1 3.69Å; L396-Y420 HydrophobicContact CD1-CG 4.45Å
397	R	94.9	Very high	87.3	Confident	80 Å²	80	54.6 Å²	54.6	30%	0.302	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.2	175.7	178.3	175.8	60.1	85.5	-2.1	110.3	Y363 V399 T414	Y363-R397 VanDerWaalsContact CD2-NH1 3.3Å; Y363-R397 PolarHBondContact N-O 3.41Å; Y363-R397 PolarHBondContact O-N 2.99Å; R397-V399 HydrophobicContact CG-CG2 4.4Å; R397-T414 VanDerWaalsContact CD-CG2 3.48Å; R397-T414 HydrophobicContact CG-CG2 3.45Å; R397-T414 VanDerWaalsContact CG-CG2 3.45Å
398	V	96.4	Very high	86.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.7	175.8	-178	0	0	0	0	109.6	A360 A361 I362 V380 L400 T414 F415 V417 I439 L441	A360-V398 HydrophobicContact CB-CG1 3.97Å; A361-V398 CarbonylContact O-C 3.54Å; A361-V398 WeakPolarHBondContact O-CA 3.38Å; I362-V398 HydrophobicContact CG1-CG2 4.39Å; V380-V398 HydrophobicContact CG2-CG1 4.3Å; V398-L400 HydrophobicContact CG1-CD2 4.23Å; V398-T414 CarbonylContact O-C 3.57Å; V398-T414 WeakPolarHBondContact O-CA 3.43Å; V398-F415 PolarHBondContact N-O 3.18Å; V398-F415 PolarHBondContact O-N 3.21Å; V398-V417 HydrophobicContact CG2-CG2 3.91Å; V398-I439 HydrophobicContact CG2-CG2 4.34Å; V398-L441 HydrophobicContact CB-CD2 3.78Å; V398-L441 HydrophobicContact CG1-CD2 4.01Å; V398-L441 HydrophobicContact CG2-CD2 3.82Å
399	V	94.9	Very high	85.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	174.1	-168.7	0	0	0	0	109.9	A361 Y363 R397 Q402 T408 R413 T414	A361-V399 HydrophobicContact CB-CB 4.28Å; A361-V399 PolarHBondContact N-O 2.75Å; A361-V399 PolarHBondContact O-N 2.65Å; Y363-V399 HydrophobicContact CD2-CG2 4.07Å; Y363-V399 HydrophobicContact CE2-CB 4.43Å; Y363-V399 HydrophobicContact CE2-CG2 3.79Å; R397-V399 HydrophobicContact CG-CG2 4.4Å; V399-Q402 HydrophobicContact CB-CB 4.45Å; V399-Q402 HydrophobicContact CG1-CB 3.91Å; V399-Q402 HydrophobicContact CG1-CG 4.45Å; V399-T408 HydrophobicContact CG1-CG2 4.33Å; V399-R413 WeakPolarHBondContact CA-O 3.31Å; V399-T414 HydrophobicContact CG2-CG2 4.35Å
400	L	93.3	Very high	84.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.2	176.7	-58.8	176.5	0	0	0	110.2	A360 L374 V398 Q402 T412 R413 F415 L441 V449 I455	A360-L400 HydrophobicContact CB-CD2 3.67Å; L374-L400 HydrophobicContact CB-CD2 4.42Å; L374-L400 HydrophobicContact CD1-CD1 3.99Å; L374-L400 HydrophobicContact CD1-CD2 4.39Å; L374-L400 HydrophobicContact CD2-CD1 4.2Å; V398-L400 HydrophobicContact CG1-CD2 4.23Å; L400-Q402 PolarHBondContact O-N 3.5Å; L400-T412 CarbonylContact O-C 3.36Å; L400-T412 VanDerWaalsContact O-CA 3.26Å; L400-T412 WeakPolarHBondContact O-CA 3.3Å; L400-R413 PolarHBondContact N-O 2.93Å; L400-R413 PolarHBondContact O-N 3.21Å; L400-F415 HydrophobicContact CD1-CD2 4.14Å; L400-F415 HydrophobicContact CD1-CE2 4.01Å; L400-F415 HydrophobicContact CG-CD2 4.5Å; L400-L441 HydrophobicContact CD1-CD1 4.23Å; L400-V449 HydrophobicContact CD1-CB 4.2Å; L400-V449 HydrophobicContact CD1-CG1 3.64Å; L400-V449 HydrophobicContact CD1-CG2 3.45Å; L400-V449 VanDerWaalsContact CD1-CG2 3.45Å; L400-I455 HydrophobicContact CB-CD1 3.88Å; L400-I455 HydrophobicContact CB-CG1 3.99Å; L400-I455 HydrophobicContact CB-CG2 3.91Å; L400-I455 HydrophobicContact CD1-CG2 3.9Å; L400-I455 HydrophobicContact CG-CG2 4.49Å
401	G	82.4	Confident	84	Confident	17 Å²	17	52.4 Å²	52.4	18%	0.175	29%	0.292	C	S	.	.	S	Bend	trans	72.8	8.9	-180	0	0	0	0	0	114.2
402	Q	84.4	Confident	83.6	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.037	30%	0.295	C	S	.	.			trans	-69.1	138.4	177	-168.8	161.1	26.9	0	0	110.3	Y363 V399 L400 H404 T407 T412 W478	Y363-Q402 PolarHBondContact OH-NE2 3.14Å; Y363-Q402 PolarHBondContact OH-OE1 2.79Å; V399-Q402 HydrophobicContact CB-CB 4.45Å; V399-Q402 HydrophobicContact CG1-CB 3.91Å; V399-Q402 HydrophobicContact CG1-CG 4.45Å; L400-Q402 PolarHBondContact O-N 3.5Å; Q402-H404 VanDerWaalsContact CG-O 3.27Å; Q402-H404 WeakPolarHBondContact CG-O 2.96Å; Q402-H404 PolarHBondContact NE2-O 3.5Å; Q402-T407 WeakPolarHBondContact CG-O 3.41Å; Q402-T407 VanDerWaalsContact NE2-N 3.17Å; Q402-T407 PolarHBondContact NE2-O 2.72Å; Q402-T412 HydrophobicContact CB-CG2 4.37Å; Q402-W478 HydrophobicContact CB-CZ2 4.29Å; Q402-W478 WeakPolarHBondContact O-CZ2 3.04Å
403	H	74.7	Confident	83.4	Confident	28 Å²	28	54.2 Å²	54.2	13%	0.13	29%	0.292	C	S	.	.			trans	-115.5	-54.2	177.9	-177.7	47.1	0	0	0	111.2	A351 P353 W478 L491	A351-H403 PolarHBondContact O-CE1 3.32Å; A351-H403 PolarHBondContact O-ND1 3.28Å; P353-H403 HydrophobicContact CG-CB 4.45Å; H403-W478 PolarHBondContact O-NE1 2.71Å; H403-L491 PolarHBondContact O-N 3.33Å
404	H	76.3	Confident	83.4	Confident	66 Å²	66	52.5 Å²	52.5	31%	0.306	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-85	135.5	172.6	-64.3	-101.6	0	0	0	110.6	Q402 N406 T407 T490	Q402-H404 VanDerWaalsContact CG-O 3.27Å; Q402-H404 WeakPolarHBondContact CG-O 2.96Å; Q402-H404 PolarHBondContact NE2-O 3.5Å; H404-N406 PolarHBondContact O-N 3.45Å; H404-T407 PolarHBondContact O-N 2.88Å; H404-T490 WeakPolarHBondContact CE1-CG2 3.43Å; H404-T490 WeakPolarHBondContact ND1-CG2 3.4Å
405	F	79.1	Confident	83.6	Confident	46 Å²	46	47.7 Å²	47.7	20%	0.202	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	133.7	176	-178.6	-96.4	0	0	0	111.3	Y363 F369 T407 W478 Y488 S489	Y363-F405 HydrophobicContact CE1-CE2 4.19Å; Y363-F405 HydrophobicContact CE1-CZ 4.17Å; F369-F405 HydrophobicContact CB-CE2 4.38Å; F369-F405 AromaticContact CD1-CE2 3.96Å; F369-F405 HydrophobicContact CD1-CE2 3.96Å; F369-F405 HydrophobicContact CD2-CD2 4.47Å; F369-F405 AromaticContact CD2-CE2 3.59Å; F369-F405 HydrophobicContact CD2-CE2 3.59Å; F369-F405 HydrophobicContact CD2-CZ 4.34Å; F369-F405 HydrophobicContact CE1-CD2 4.43Å; F369-F405 HydrophobicContact CE1-CE2 4.1Å; F369-F405 HydrophobicContact CE2-CD2 4.17Å; F369-F405 AromaticContact CE2-CE2 3.72Å; F369-F405 HydrophobicContact CE2-CE2 3.72Å; F369-F405 AromaticContact CG-CE2 3.69Å; F369-F405 HydrophobicContact CG-CE2 3.69Å; F369-F405 HydrophobicContact CG-CZ 4.38Å; F369-F405 HydrophobicContact CZ-CD2 4.15Å; F369-F405 AromaticContact CZ-CE2 3.97Å; F369-F405 HydrophobicContact CZ-CE2 3.97Å; F405-T407 PolarHBondContact O-N 3Å; F405-T407 PolarHBondContact O-OG1 3.1Å; F405-W478 HydrophobicContact CD2-CB 4.19Å; F405-W478 HydrophobicContact CD2-CG 4.49Å; F405-Y488 VanDerWaalsContact CD1-CB 3.49Å; F405-Y488 AromaticContact CD1-CD2 4Å; F405-Y488 HydrophobicContact CD1-CD2 4Å; F405-Y488 HydrophobicContact CD1-CG 4.1Å; F405-Y488 HydrophobicContact CD2-CD2 4.24Å; F405-Y488 AromaticContact CD2-CG 3.9Å; F405-Y488 HydrophobicContact CD2-CG 3.9Å; F405-Y488 AromaticContact CE1-CD2 3.44Å; F405-Y488 HydrophobicContact CE1-CD2 3.44Å; F405-Y488 VanDerWaalsContact CE1-CD2 3.44Å; F405-Y488 HydrophobicContact CE1-CE2 4.28Å; F405-Y488 AromaticContact CE1-CG 3.98Å; F405-Y488 HydrophobicContact CE1-CG 3.98Å; F405-Y488 HydrophobicContact CE2-CD1 4.36Å; F405-Y488 AromaticContact CE2-CD2 3.71Å; F405-Y488 HydrophobicContact CE2-CD2 3.71Å; F405-Y488 HydrophobicContact CE2-CE2 4.23Å; F405-Y488 AromaticContact CE2-CG 3.76Å; F405-Y488 HydrophobicContact CE2-CG 3.76Å; F405-Y488 HydrophobicContact CG-CD2 4.36Å; F405-Y488 HydrophobicContact CG-CG 4.06Å; F405-Y488 AromaticContact CZ-CD2 3.27Å; F405-Y488 HydrophobicContact CZ-CD2 3.27Å; F405-Y488 AromaticContact CZ-CE2 3.77Å; F405-Y488 HydrophobicContact CZ-CE2 3.77Å; F405-Y488 AromaticContact CZ-CG 3.81Å; F405-Y488 HydrophobicContact CZ-CG 3.81Å; F405-S489 WeakPolarHBondContact CB-O 3.22Å; F405-S489 PolarHBondContact N-O 2.85Å
406	N	80.4	Confident	83.7	Confident	100 Å²	100	48.6 Å²	48.6	54%	0.535	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	13.4	177.1	-155.1	25.1	0	0	0	115.7	Y363 H404	Y363-N406 HydrophobicContact CE1-CB 4.49Å; Y363-N406 VanDerWaalsContact OH-CA 3.26Å; Y363-N406 WeakPolarHBondContact OH-CA 3.38Å; Y363-N406 PolarHBondContact OH-N 3.12Å; H404-N406 PolarHBondContact O-N 3.45Å
407	T	75.1	Confident	83.8	Confident	83 Å²	83	48.8 Å²	48.8	51%	0.509	26%	0.261	S	S	.	.			trans	-110.6	127.1	174.9	-53.1	0	0	0	0	109.4	Q402 H404 F405	Q402-T407 WeakPolarHBondContact CG-O 3.41Å; Q402-T407 VanDerWaalsContact NE2-N 3.17Å; Q402-T407 PolarHBondContact NE2-O 2.72Å; H404-T407 PolarHBondContact O-N 2.88Å; F405-T407 PolarHBondContact O-N 3Å; F405-T407 PolarHBondContact O-OG1 3.1Å
408	T	75.3	Confident	83.8	Confident	87 Å²	87	48.1 Å²	48.1	53%	0.534	26%	0.261	S	S	.	.			trans	-101.8	147.6	173.2	55.3	0	0	0	0	109.8	V399 T412	V399-T408 HydrophobicContact CG1-CG2 4.33Å; T408-T412 WeakPolarHBondContact CB-OG1 3.41Å
409	G	67.2	Low	83.8	Confident	33 Å²	33	49.7 Å²	49.7	34%	0.34	27%	0.27	S	S	.	.			trans	-145.4	-177.2	-177.5	0	0	0	0	0	112.2	N411 T412	G409-N411 PolarHBondContact O-N 2.82Å; G409-N411 VanDerWaalsContact O-N 3.13Å; G409-T412 PolarHBondContact N-OG1 3.1Å; G409-T412 PolarHBondContact O-N 2.83Å; G409-T412 PolarHBondContact O-OG1 3.4Å
410	P	61.6	Low	83.8	Confident	85 Å²	85	51.2 Å²	51.2	55%	0.552	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.5	-173.9	23	-33.3	0	0	0	113.7	W44	W44-P410 HydrophobicContact CZ2-CG 4.45Å
411	N	70.9	Confident	83.9	Confident	55 Å²	55	53.2 Å²	53.2	29%	0.294	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.3	178.7	-64.7	-36.2	0	0	0	113.7	G409 F454	G409-N411 PolarHBondContact O-N 2.82Å; G409-N411 VanDerWaalsContact O-N 3.13Å; N411-F454 HydrophobicContact CB-CB 4.35Å; N411-F454 HydrophobicContact CB-CD2 3.59Å; N411-F454 HydrophobicContact CB-CE2 4Å; N411-F454 HydrophobicContact CB-CG 3.91Å; N411-F454 VanDerWaalsContact CG-CD2 3.42Å; N411-F454 VanDerWaalsContact ND2-CE2 3.32Å; N411-F454 WeakPolarHBondContact ND2-CE2 3.39Å; N411-F454 WeakPolarHBondContact ND2-CZ 3.3Å; N411-F454 WeakPolarHBondContact OD1-CE2 3.49Å
412	T	81.7	Confident	84.5	Confident	15 Å²	15	55.3 Å²	55.3	9%	0.092	29%	0.292	C	S	.	.			trans	-92.7	147.7	-178.9	70.4	0	0	0	0	111.3	L400 Q402 T408 G409	L400-T412 CarbonylContact O-C 3.36Å; L400-T412 VanDerWaalsContact O-CA 3.26Å; L400-T412 WeakPolarHBondContact O-CA 3.3Å; Q402-T412 HydrophobicContact CB-CG2 4.37Å; T408-T412 WeakPolarHBondContact CB-OG1 3.41Å; G409-T412 PolarHBondContact N-OG1 3.1Å; G409-T412 PolarHBondContact O-N 2.83Å; G409-T412 PolarHBondContact O-OG1 3.4Å
413	R	88.8	Confident	85	Confident	138 Å²	138	56.2 Å²	56.2	52%	0.521	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.6	173.4	-64.8	-66.3	174.4	-136.1	2.1	109.9	V399 L400 F415 I455	V399-R413 WeakPolarHBondContact CA-O 3.31Å; L400-R413 PolarHBondContact N-O 2.93Å; L400-R413 PolarHBondContact O-N 3.21Å; R413-F415 HydrophobicContact CB-CD2 4.36Å; R413-F415 HydrophobicContact CB-CE2 3.54Å; R413-F415 HydrophobicContact CB-CZ 4.2Å; R413-I455 HydrophobicContact CB-CD1 3.94Å; R413-I455 HydrophobicContact CG-CD1 3.77Å
414	T	94	Very high	85.8	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.4	179.6	-59.5	0	0	0	0	109.4	R397 V398 V399 Q444	R397-T414 VanDerWaalsContact CD-CG2 3.48Å; R397-T414 HydrophobicContact CG-CG2 3.45Å; R397-T414 VanDerWaalsContact CG-CG2 3.45Å; V398-T414 CarbonylContact O-C 3.57Å; V398-T414 WeakPolarHBondContact O-CA 3.43Å; V399-T414 HydrophobicContact CG2-CG2 4.35Å; T414-Q444 PolarHBondContact O-NE2 2.84Å
415	F	95.6	Very high	86.6	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.035	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.6	178.9	-68.8	-89.9	0	0	0	110.7	V398 L400 R413 L441 Q444 V449	V398-F415 PolarHBondContact N-O 3.18Å; V398-F415 PolarHBondContact O-N 3.21Å; L400-F415 HydrophobicContact CD1-CD2 4.14Å; L400-F415 HydrophobicContact CD1-CE2 4.01Å; L400-F415 HydrophobicContact CG-CD2 4.5Å; R413-F415 HydrophobicContact CB-CD2 4.36Å; R413-F415 HydrophobicContact CB-CE2 3.54Å; R413-F415 HydrophobicContact CB-CZ 4.2Å; F415-L441 HydrophobicContact CB-CB 4.34Å; F415-L441 HydrophobicContact CB-CD1 4.44Å; F415-L441 HydrophobicContact CB-CD2 4.08Å; F415-L441 HydrophobicContact CD2-CD1 4.45Å; F415-L441 HydrophobicContact CG-CD1 4.28Å; F415-Q444 HydrophobicContact CD1-CG 4.24Å; F415-Q444 HydrophobicContact CE1-CG 4.17Å; F415-V449 HydrophobicContact CD2-CG2 4.2Å; F415-V449 HydrophobicContact CE1-CG2 4.01Å; F415-V449 HydrophobicContact CE2-CB 4.49Å; F415-V449 HydrophobicContact CE2-CG1 4.45Å; F415-V449 HydrophobicContact CE2-CG2 3.65Å; F415-V449 HydrophobicContact CZ-CB 4.18Å; F415-V449 HydrophobicContact CZ-CG1 4.45Å; F415-V449 HydrophobicContact CZ-CG2 3.56Å
416	E	95.9	Very high	87.1	Confident	113 Å²	113	68.1 Å²	68.1	53%	0.528	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	159.5	164.1	-64.4	180	176.2	0	0	110.3	K442	E416-K442 HydrophobicContact CB-CB 4.05Å; E416-K442 HydrophobicContact CB-CD 4Å; E416-K442 WeakPolarHBondContact O-CB 3.34Å; E416-K442 PolarHBondContact O-N 3.39Å; E416-K442 WeakPolarHBondContact OE2-CD 3.47Å; E416-K442 WeakPolarHBondContact OE2-CE 3.41Å; E416-K442 IonicContact OE2-NZ 2.87Å; E416-K442 PolarHBondContact OE2-NZ 3.05Å
417	V	96.5	Very high	87.2	Confident	10 Å²	10	65.6 Å²	65.6	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.1	177.5	176.6	0	0	0	0	110.5	L396 V398 D419 Y420 I439	L396-V417 HydrophobicContact CB-CB 3.93Å; L396-V417 HydrophobicContact CB-CG2 3.59Å; L396-V417 HydrophobicContact CD1-CB 4.22Å; L396-V417 HydrophobicContact CD1-CG1 4.06Å; L396-V417 HydrophobicContact CD1-CG2 4.29Å; V398-V417 HydrophobicContact CG2-CG2 3.91Å; V417-D419 WeakPolarHBondContact CG1-O 3.49Å; V417-Y420 HydrophobicContact CG1-CD1 4.41Å; V417-I439 HydrophobicContact CB-CG2 4.38Å; V417-I439 HydrophobicContact CG1-CG2 3.74Å; V417-I439 HydrophobicContact CG2-CG2 3.74Å
418	E	95.7	Very high	87.5	Confident	65 Å²	65	66.5 Å²	66.5	30%	0.304	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-40.6	172.9	-171.6	-166.3	135.5	0	0	110.9	K393 K440 K442	K393-E418 WeakPolarHBondContact CD-O 3.48Å; K393-E418 PolarHBondContact NZ-O 3.17Å; E418-K440 HydrophobicContact CB-CB 4.46Å; E418-K440 HydrophobicContact CB-CD 4.45Å; E418-K440 HydrophobicContact CB-CG 4.37Å; E418-K440 HydrophobicContact CG-CD 4.48Å; E418-K440 PolarHBondContact N-O 2.89Å; E418-K440 WeakPolarHBondContact OE1-CE 3.33Å; E418-K440 IonicContact OE1-NZ 2.82Å; E418-K440 PolarHBondContact OE1-NZ 3.16Å; E418-K440 WeakPolarHBondContact OE2-CD 3.22Å; E418-K440 WeakPolarHBondContact OE2-CE 3.5Å; E418-K440 IonicContact OE2-NZ 3.87Å; E418-K440 PolarHBondContact OE2-NZ 2.92Å; E418-K442 HydrophobicContact CB-CB 4.31Å
419	D	96	Very high	87.7	Confident	34 Å²	34	71.2 Å²	71.2	18%	0.182	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	154.7	-176.4	-138.9	0.2	0	0	0	110.9	K393 V417 K440 K584	K393-D419 VanDerWaalsContact CE-OD1 3.3Å; K393-D419 WeakPolarHBondContact CE-OD1 3.46Å; K393-D419 IonicContact NZ-OD1 3.68Å; K393-D419 PolarHBondContact NZ-OD1 2.99Å; V417-D419 WeakPolarHBondContact CG1-O 3.49Å; D419-K440 HydrophobicContact CB-CB 4.14Å; D419-K440 PolarHBondContact N-O 2.81Å; D419-K440 PolarHBondContact O-N 2.76Å; D419-K584 IonicContact OD2-NZ 3.26Å; D419-K584 PolarHBondContact OD2-NZ 2.63Å
420	Y	95.4	Very high	88.4	Confident	31 Å²	31	73.2 Å²	73.2	12%	0.122	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.5	164.1	58.8	-88.5	0	0	0	109	F387 N390 P391 K393 L396 V417 F422 V437 L438	F387-Y420 HydrophobicContact CD1-CD2 4.27Å; F387-Y420 HydrophobicContact CD1-CG 4.31Å; N390-Y420 PolarHBondContact OD1-OH 2.98Å; P391-Y420 PolarHBondContact O-OH 3.12Å; K393-Y420 HydrophobicContact CG-CD1 4.39Å; K393-Y420 HydrophobicContact CG-CE1 4.03Å; L396-Y420 HydrophobicContact CD1-CD1 3.5Å; L396-Y420 VanDerWaalsContact CD1-CD1 3.5Å; L396-Y420 HydrophobicContact CD1-CE1 3.69Å; L396-Y420 HydrophobicContact CD1-CG 4.45Å; V417-Y420 HydrophobicContact CG1-CD1 4.41Å; Y420-F422 AromaticContact CD2-CE2 3.99Å; Y420-F422 HydrophobicContact CD2-CE2 3.99Å; Y420-F422 HydrophobicContact CD2-CZ 4.04Å; Y420-F422 AromaticContact CE2-CE2 3.65Å; Y420-F422 HydrophobicContact CE2-CE2 3.65Å; Y420-F422 AromaticContact CE2-CZ 3.83Å; Y420-F422 HydrophobicContact CE2-CZ 3.83Å; Y420-V437 HydrophobicContact CD2-CG2 4.42Å; Y420-L438 CarbonylContact C-O 3.59Å; Y420-L438 WeakPolarHBondContact CA-O 3.35Å
421	V	95.8	Very high	89.4	Confident	42 Å²	42	71.8 Å²	71.8	26%	0.255	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115	-170.1	-174.4	0	0	0	0	108.9	V437 L438 W576 V580	V421-V437 WeakPolarHBondContact O-CG2 3.32Å; V421-L438 HydrophobicContact CB-CB 4.5Å; V421-L438 PolarHBondContact N-O 2.92Å; V421-L438 PolarHBondContact O-N 3.3Å; V421-W576 HydrophobicContact CG1-CZ2 4.27Å; V421-W576 WeakPolarHBondContact O-CZ2 3.42Å; V421-V580 HydrophobicContact CB-CG1 4.24Å; V421-V580 HydrophobicContact CG1-CG1 4.28Å; V421-V580 HydrophobicContact CG1-CG2 4.23Å; V421-V580 HydrophobicContact CG2-CG1 4.13Å
422	F	94.4	Very high	90	Very high	62 Å²	62	71 Å²	71	27%	0.272	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	151.5	172.4	-63.9	-67.5	0	0	0	111.6	A384 F387 Y420 F426 V437	A384-F422 HydrophobicContact CB-CD1 3.74Å; A384-F422 HydrophobicContact CB-CE1 3.98Å; F387-F422 HydrophobicContact CB-CE1 3.79Å; F387-F422 HydrophobicContact CB-CZ 3.61Å; Y420-F422 AromaticContact CD2-CE2 3.99Å; Y420-F422 HydrophobicContact CD2-CE2 3.99Å; Y420-F422 HydrophobicContact CD2-CZ 4.04Å; Y420-F422 AromaticContact CE2-CE2 3.65Å; Y420-F422 HydrophobicContact CE2-CE2 3.65Å; Y420-F422 AromaticContact CE2-CZ 3.83Å; Y420-F422 HydrophobicContact CE2-CZ 3.83Å; F422-F426 HydrophobicContact CB-CD1 4.42Å; F422-F426 AromaticContact CD1-CD1 3.81Å; F422-F426 HydrophobicContact CD1-CD1 3.81Å; F422-F426 HydrophobicContact CD1-CE1 4.07Å; F422-F426 HydrophobicContact CE1-CD1 4.31Å; F422-F426 HydrophobicContact CE1-CE1 4.11Å; F422-F426 HydrophobicContact CG-CD1 4.22Å; F422-V437 HydrophobicContact CD1-CB 4.31Å; F422-V437 HydrophobicContact CD1-CG2 4.04Å; F422-V437 HydrophobicContact CE1-CG2 4.2Å
423	H	94.3	Very high	90.4	Very high	27 Å²	27	72.9 Å²	72.9	13%	0.125	35%	0.346	C	S	.	.			trans	-63.2	138.9	163.8	-169.5	-99.3	0	0	0	110	R425 F426 H434 I436 Y573 W576	H423-R425 PolarHBondContact ND1-N 2.85Å; H423-R425 PolarHBondContact O-N 2.86Å; H423-F426 HydrophobicContact CB-CB 4.45Å; H423-F426 VanDerWaalsContact O-CB 3.27Å; H423-F426 WeakPolarHBondContact O-CB 3.19Å; H423-F426 PolarHBondContact O-N 2.88Å; H423-H434 HydrophobicContact CB-CB 4.45Å; H423-H434 AromaticContact ND1-CG 3.91Å; H423-I436 HydrophobicContact CB-CG2 3.76Å; H423-I436 PolarHBondContact N-O 2.85Å; H423-Y573 AromaticContact CD2-CD1 3.66Å; H423-Y573 AromaticContact CD2-CE1 3.96Å; H423-Y573 AromaticContact NE2-CD1 3.86Å; H423-W576 HydrophobicContact CB-CZ2 4.32Å; H423-W576 AromaticContact CD2-CD1 3.73Å; H423-W576 AromaticContact CD2-CD2 3.62Å; H423-W576 AromaticContact CD2-CE2 3.94Å; H423-W576 AromaticContact CD2-CG 3.51Å; H423-W576 AromaticContact CD2-NE1 3.96Å
424	K	92.1	Very high	90.6	Very high	183 Å²	183	67.8 Å²	67.8	80%	0.796	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24	-174.6	-67.3	-175.7	175.6	-172.4	0	114.5
425	R	92.1	Very high	90.6	Very high	181 Å²	181	65.2 Å²	65.2	68%	0.683	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.8	179.8	-60.1	-177	177.1	167.8	-2.7	113.2	H423 H434	H423-R425 PolarHBondContact ND1-N 2.85Å; H423-R425 PolarHBondContact O-N 2.86Å; R425-H434 HydrophobicContact CB-CB 4.37Å; R425-H434 WeakPolarHBondContact CB-CD2 3.45Å; R425-H434 PolarHBondContact O-CD2 2.97Å
426	F	90.3	Very high	90.6	Very high	26 Å²	26	64.9 Å²	64.9	11%	0.114	31%	0.311	C	S	.	.			trans	-68.6	138.1	172.4	177.5	-104.6	0	0	0	109.4	A384 F422 H423 I428 L433 H434	A384-F426 HydrophobicContact CB-CD1 3.89Å; A384-F426 HydrophobicContact CB-CD2 3.56Å; A384-F426 HydrophobicContact CB-CE1 3.78Å; A384-F426 HydrophobicContact CB-CE2 3.44Å; A384-F426 VanDerWaalsContact CB-CE2 3.44Å; A384-F426 HydrophobicContact CB-CG 3.79Å; A384-F426 HydrophobicContact CB-CZ 3.55Å; F422-F426 HydrophobicContact CB-CD1 4.42Å; F422-F426 AromaticContact CD1-CD1 3.81Å; F422-F426 HydrophobicContact CD1-CD1 3.81Å; F422-F426 HydrophobicContact CD1-CE1 4.07Å; F422-F426 HydrophobicContact CE1-CD1 4.31Å; F422-F426 HydrophobicContact CE1-CE1 4.11Å; F422-F426 HydrophobicContact CG-CD1 4.22Å; H423-F426 HydrophobicContact CB-CB 4.45Å; H423-F426 VanDerWaalsContact O-CB 3.27Å; H423-F426 WeakPolarHBondContact O-CB 3.19Å; H423-F426 PolarHBondContact O-N 2.88Å; F426-I428 HydrophobicContact CE1-CG2 4.36Å; F426-L433 WeakPolarHBondContact CD2-O 3.43Å; F426-H434 HydrophobicContact CB-CB 4.46Å; F426-H434 WeakPolarHBondContact CD2-O 3.37Å
427	S	83.5	Confident	90.7	Very high	47 Å²	47	59.5 Å²	59.5	33%	0.329	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-136.3	134.5	178.2	177.3	0	0	0	0	109.9	F429 N430	S427-F429 PolarHBondContact O-N 2.04Å; S427-F429 PolarHBondContact OG-N 2.8Å; S427-N430 CarbonylContact O-C 3.14Å; S427-N430 PolarHBondContact O-N 2.82Å
428	I	80.9	Confident	90.7	Very high	102 Å²	102	59 Å²	59	52%	0.523	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	175.7	59.2	170.2	0	0	0	112.7	F426 N430	F426-I428 HydrophobicContact CE1-CG2 4.36Å; I428-N430 VanDerWaalsContact C-N 3.29Å
429	F	79.1	Confident	90.8	Very high	186 Å²	186	55.9 Å²	55.9	82%	0.816	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.2	177.3	-58.5	-70.3	0	0	0	112.8	S427	S427-F429 PolarHBondContact O-N 2.04Å; S427-F429 PolarHBondContact OG-N 2.8Å
430	N	82.8	Confident	90.9	Very high	75 Å²	75	55.6 Å²	55.6	40%	0.401	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-140.2	71.5	174.7	-158.4	-23.1	0	0	0	109.4	S427 I428 T432 L433	S427-N430 CarbonylContact O-C 3.14Å; S427-N430 PolarHBondContact O-N 2.82Å; I428-N430 VanDerWaalsContact C-N 3.29Å; N430-T432 PolarHBondContact O-N 3.1Å; N430-T432 PolarHBondContact OD1-OG1 2.98Å; N430-L433 HydrophobicContact CB-CD1 4.39Å; N430-L433 VanDerWaalsContact ND2-CD1 3.34Å; N430-L433 WeakPolarHBondContact ND2-CD1 3.21Å; N430-L433 PolarHBondContact O-N 3.17Å; N430-L433 VanDerWaalsContact O-N 3.11Å
431	P	80.9	Confident	91	Very high	54 Å²	54	54.3 Å²	54.3	35%	0.351	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-5.6	-163.8	30.1	-36.9	0	0	0	113.9	H385 D435	H385-P431 HydrophobicContact CB-CB 4.22Å; P431-D435 WeakPolarHBondContact O-CB 3.47Å
432	T	84.8	Confident	90.9	Very high	40 Å²	40	57.3 Å²	57.3	25%	0.245	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-23.6	175.7	60.2	0	0	0	0	112.2	N430 M518 W554	N430-T432 PolarHBondContact O-N 3.1Å; N430-T432 PolarHBondContact OD1-OG1 2.98Å; T432-M518 WeakPolarHBondContact O-CE 3.41Å; T432-W554 HydrophobicContact CG2-CB 4.24Å; T432-W554 HydrophobicContact CG2-CD2 4.16Å; T432-W554 HydrophobicContact CG2-CG 3.73Å
433	L	89	Confident	90.9	Very high	53 Å²	53	60 Å²	60	28%	0.277	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	132.3	-179.3	-66.7	-177	0	0	0	111.5	F426 N430 D435 T515 M518	F426-L433 WeakPolarHBondContact CD2-O 3.43Å; N430-L433 HydrophobicContact CB-CD1 4.39Å; N430-L433 VanDerWaalsContact ND2-CD1 3.34Å; N430-L433 WeakPolarHBondContact ND2-CD1 3.21Å; N430-L433 PolarHBondContact O-N 3.17Å; N430-L433 VanDerWaalsContact O-N 3.11Å; L433-D435 PolarHBondContact O-N 2.94Å; L433-T515 HydrophobicContact CD2-CG2 3.61Å; L433-M518 HydrophobicContact CD2-CE 3.83Å
434	H	92.7	Very high	90.7	Very high	31 Å²	31	63.1 Å²	63.1	14%	0.144	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.7	-176.5	-53.5	-65.5	0	0	0	112.9	H423 R425 F426 I436 D517 Y573	H423-H434 HydrophobicContact CB-CB 4.45Å; H423-H434 AromaticContact ND1-CG 3.91Å; R425-H434 HydrophobicContact CB-CB 4.37Å; R425-H434 WeakPolarHBondContact CB-CD2 3.45Å; R425-H434 PolarHBondContact O-CD2 2.97Å; F426-H434 HydrophobicContact CB-CB 4.46Å; F426-H434 WeakPolarHBondContact CD2-O 3.37Å; H434-I436 VanDerWaalsContact C-N 3.27Å; H434-I436 PolarHBondContact O-N 2.78Å; H434-D517 IonicContact CE1-OD2 3.54Å; H434-D517 PolarHBondContact CE1-OD2 2.87Å; H434-D517 IonicContact ND1-OD2 2.73Å; H434-Y573 WeakPolarHBondContact CA-OH 3.16Å; H434-Y573 HydrophobicContact CB-CE1 4.25Å; H434-Y573 AromaticContact ND1-CE1 3.64Å; H434-Y573 AromaticContact ND1-CZ 3.65Å; H434-Y573 PolarHBondContact ND1-OH 3.16Å
435	D	94.6	Very high	90.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.3	C	S	.	.			trans	-73.2	77.2	-176.6	-176.1	24.7	0	0	0	111.6	A384 H385 P431 L433 S553 T568	A384-D435 WeakPolarHBondContact CA-OD1 3.33Å; A384-D435 PolarHBondContact N-OD1 2.93Å; H385-D435 IonicContact CE1-OD2 3.82Å; H385-D435 IonicContact CG-OD1 3.77Å; H385-D435 IonicContact CG-OD2 3.88Å; H385-D435 PolarHBondContact N-OD1 2.81Å; H385-D435 IonicContact ND1-OD1 3.1Å; H385-D435 PolarHBondContact ND1-OD1 3.34Å; H385-D435 IonicContact ND1-OD2 3.36Å; H385-D435 PolarHBondContact ND1-OD2 2.91Å; P431-D435 WeakPolarHBondContact O-CB 3.47Å; L433-D435 PolarHBondContact O-N 2.94Å; D435-S553 WeakPolarHBondContact CB-OG 3.18Å; D435-S553 WeakPolarHBondContact OD2-CB 3.45Å; D435-S553 PolarHBondContact OD2-OG 3.19Å; D435-T568 PolarHBondContact O-OG1 3.11Å
436	I	96.6	Very high	90.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.296	C	S	.	.			trans	-151	134.8	-178.6	-173.5	172.6	0	0	0	111.4	L381 H423 H434 I551 T568 Y573 W576 I577	L381-I436 HydrophobicContact CD1-CD1 3.73Å; L381-I436 HydrophobicContact CD1-CG1 3.69Å; L381-I436 HydrophobicContact CD2-CD1 4.11Å; L381-I436 HydrophobicContact CG-CD1 4.21Å; L381-I436 HydrophobicContact CG-CG1 4.23Å; H423-I436 HydrophobicContact CB-CG2 3.76Å; H423-I436 PolarHBondContact N-O 2.85Å; H434-I436 VanDerWaalsContact C-N 3.27Å; H434-I436 PolarHBondContact O-N 2.78Å; I436-I551 HydrophobicContact CB-CD1 4.19Å; I436-I551 HydrophobicContact CD1-CD1 3.68Å; I436-I551 HydrophobicContact CG1-CD1 3.57Å; I436-T568 HydrophobicContact CB-CG2 4.3Å; I436-Y573 HydrophobicContact CD1-CD2 4.39Å; I436-Y573 HydrophobicContact CD1-CG 4.03Å; I436-Y573 HydrophobicContact CG2-CD1 3.77Å; I436-Y573 HydrophobicContact CG2-CE1 3.9Å; I436-Y573 HydrophobicContact CG2-CG 4.18Å; I436-W576 HydrophobicContact CD1-CE3 4.37Å; I436-W576 HydrophobicContact CD1-CZ3 3.83Å; I436-W576 HydrophobicContact CG1-CH2 4.44Å; I436-W576 HydrophobicContact CG1-CZ3 3.85Å; I436-W576 HydrophobicContact CG2-CH2 4.48Å; I436-W576 HydrophobicContact CG2-CZ3 4.08Å; I436-I577 HydrophobicContact CD1-CD1 4.3Å
437	V	96.6	Very high	90	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.6	176.4	68.6	0	0	0	0	111.1	L381 S382 A383 A384 F387 Y420 V421 F422 I439	L381-V437 WeakPolarHBondContact CD1-O 3.34Å; S382-V437 PolarHBondContact N-O 3.11Å; S382-V437 VanDerWaalsContact N-O 3.1Å; S382-V437 PolarHBondContact O-N 3.28Å; A383-V437 VanDerWaalsContact O-CG1 3.29Å; A383-V437 WeakPolarHBondContact O-CG1 3.33Å; A384-V437 HydrophobicContact CB-CB 4.25Å; F387-V437 HydrophobicContact CD2-CG1 3.79Å; F387-V437 HydrophobicContact CE2-CG1 3.69Å; Y420-V437 HydrophobicContact CD2-CG2 4.42Å; V421-V437 WeakPolarHBondContact O-CG2 3.32Å; F422-V437 HydrophobicContact CD1-CB 4.31Å; F422-V437 HydrophobicContact CD1-CG2 4.04Å; F422-V437 HydrophobicContact CE1-CG2 4.2Å; V437-I439 HydrophobicContact CG1-CG1 4.38Å
438	L	97.8	Very high	90.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.5	171.1	-90.3	171.9	0	0	0	110.1	I375 W379 L381 Y420 V421 W576 I577 V580	I375-L438 HydrophobicContact CD1-CD2 3.65Å; W379-L438 HydrophobicContact CE3-CB 4.1Å; W379-L438 HydrophobicContact CE3-CD2 4.06Å; W379-L438 HydrophobicContact CZ3-CB 4.03Å; L381-L438 HydrophobicContact CD1-CD2 3.65Å; L381-L438 HydrophobicContact CD1-CG 3.82Å; Y420-L438 CarbonylContact C-O 3.59Å; Y420-L438 WeakPolarHBondContact CA-O 3.35Å; V421-L438 HydrophobicContact CB-CB 4.5Å; V421-L438 PolarHBondContact N-O 2.92Å; V421-L438 PolarHBondContact O-N 3.3Å; L438-W576 HydrophobicContact CB-CH2 4Å; L438-W576 HydrophobicContact CD1-CE3 4.38Å; L438-W576 HydrophobicContact CD1-CH2 3.88Å; L438-W576 HydrophobicContact CD1-CZ2 4.33Å; L438-W576 HydrophobicContact CD1-CZ3 3.89Å; L438-W576 HydrophobicContact CG-CH2 3.78Å; L438-W576 HydrophobicContact CG-CZ3 3.9Å; L438-I577 HydrophobicContact CD1-CB 4.45Å; L438-I577 HydrophobicContact CD1-CG1 4.44Å; L438-I577 HydrophobicContact CD1-CG2 4.4Å; L438-V580 HydrophobicContact CB-CG1 4.49Å; L438-V580 HydrophobicContact CD1-CB 3.66Å; L438-V580 HydrophobicContact CD1-CG1 3.69Å; L438-V580 HydrophobicContact CD1-CG2 4.23Å
439	I	97.8	Very high	90.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.4	-179.9	-54	164.1	0	0	0	108.3	I362 W379 V380 F387 V398 V417 V437	I362-I439 HydrophobicContact CD1-CD1 3.53Å; I362-I439 HydrophobicContact CG1-CD1 4.42Å; W379-I439 WeakPolarHBondContact CA-O 3.33Å; V380-I439 HydrophobicContact CB-CB 4.26Å; V380-I439 HydrophobicContact CG1-CD1 4.35Å; V380-I439 PolarHBondContact N-O 3.31Å; V380-I439 PolarHBondContact O-N 2.87Å; F387-I439 HydrophobicContact CE1-CD1 4.48Å; F387-I439 HydrophobicContact CE2-CD1 3.98Å; F387-I439 HydrophobicContact CZ-CD1 3.51Å; F387-I439 HydrophobicContact CZ-CG1 4.08Å; V398-I439 HydrophobicContact CG2-CG2 4.34Å; V417-I439 HydrophobicContact CB-CG2 4.38Å; V417-I439 HydrophobicContact CG1-CG2 3.74Å; V417-I439 HydrophobicContact CG2-CG2 3.74Å; V437-I439 HydrophobicContact CG1-CG1 4.38Å
440	K	97.5	Very high	90.8	Very high	28 Å²	28	56.5 Å²	56.5	12%	0.122	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.8	174.9	-166.8	179.9	179	-161.4	0	109.5	W379 E418 D419	W379-K440 HydrophobicContact CD2-CB 4.42Å; W379-K440 HydrophobicContact CD2-CG 4.39Å; W379-K440 HydrophobicContact CE3-CB 3.97Å; W379-K440 HydrophobicContact CE3-CG 4.42Å; W379-K440 HydrophobicContact CH2-CB 3.85Å; W379-K440 HydrophobicContact CH2-CD 3.94Å; W379-K440 HydrophobicContact CH2-CG 4.02Å; W379-K440 HydrophobicContact CZ2-CB 4.29Å; W379-K440 HydrophobicContact CZ2-CD 3.85Å; W379-K440 HydrophobicContact CZ2-CG 3.96Å; W379-K440 HydrophobicContact CZ3-CB 3.67Å; W379-K440 HydrophobicContact CZ3-CG 4.24Å; E418-K440 HydrophobicContact CB-CB 4.46Å; E418-K440 HydrophobicContact CB-CD 4.45Å; E418-K440 HydrophobicContact CB-CG 4.37Å; E418-K440 HydrophobicContact CG-CD 4.48Å; E418-K440 PolarHBondContact N-O 2.89Å; E418-K440 WeakPolarHBondContact OE1-CE 3.33Å; E418-K440 IonicContact OE1-NZ 2.82Å; E418-K440 PolarHBondContact OE1-NZ 3.16Å; E418-K440 WeakPolarHBondContact OE2-CD 3.22Å; E418-K440 WeakPolarHBondContact OE2-CE 3.5Å; E418-K440 IonicContact OE2-NZ 3.87Å; E418-K440 PolarHBondContact OE2-NZ 2.92Å; D419-K440 HydrophobicContact CB-CB 4.14Å; D419-K440 PolarHBondContact N-O 2.81Å; D419-K440 PolarHBondContact O-N 2.76Å
441	L	96.7	Very high	90.6	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.5	177.1	-56.3	180	0	0	0	110.3	L374 C378 V380 V398 L400 F415 V449	L374-L441 HydrophobicContact CD1-CD1 4.33Å; C378-L441 PolarHBondContact O-N 3.44Å; V380-L441 HydrophobicContact CG2-CD1 4.18Å; V380-L441 HydrophobicContact CG2-CD2 4.23Å; V380-L441 HydrophobicContact CG2-CG 4.35Å; V398-L441 HydrophobicContact CB-CD2 3.78Å; V398-L441 HydrophobicContact CG1-CD2 4.01Å; V398-L441 HydrophobicContact CG2-CD2 3.82Å; L400-L441 HydrophobicContact CD1-CD1 4.23Å; F415-L441 HydrophobicContact CB-CB 4.34Å; F415-L441 HydrophobicContact CB-CD1 4.44Å; F415-L441 HydrophobicContact CB-CD2 4.08Å; F415-L441 HydrophobicContact CD2-CD1 4.45Å; F415-L441 HydrophobicContact CG-CD1 4.28Å; L441-V449 HydrophobicContact CD1-CG2 3.52Å
442	K	95.3	Very high	90.2	Very high	105 Å²	105	59.4 Å²	59.4	46%	0.457	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-68.4	134.5	171.5	-166.2	180	178.6	-178.7	0	109.4	E416 E418	E416-K442 HydrophobicContact CB-CB 4.05Å; E416-K442 HydrophobicContact CB-CD 4Å; E416-K442 WeakPolarHBondContact O-CB 3.34Å; E416-K442 PolarHBondContact O-N 3.39Å; E416-K442 WeakPolarHBondContact OE2-CD 3.47Å; E416-K442 WeakPolarHBondContact OE2-CE 3.41Å; E416-K442 IonicContact OE2-NZ 2.87Å; E416-K442 PolarHBondContact OE2-NZ 3.05Å; E418-K442 HydrophobicContact CB-CB 4.31Å
443	K	93.4	Very high	89.5	Confident	119 Å²	119	60.5 Å²	60.5	52%	0.517	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.1	136.9	178	-69.1	174.6	177	-177	0	110.3	R447	K443-R447 WeakPolarHBondContact CA-O 3.4Å
444	Q	89.9	Confident	88.9	Confident	91 Å²	91	60.4 Å²	60.4	43%	0.425	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-100.1	124.6	168.3	-72	176.1	-17.9	0	0	107.6	T414 F415 G446 R447	T414-Q444 PolarHBondContact O-NE2 2.84Å; F415-Q444 HydrophobicContact CD1-CG 4.24Å; F415-Q444 HydrophobicContact CE1-CG 4.17Å; Q444-G446 PolarHBondContact O-N 3.12Å; Q444-R447 PolarHBondContact N-O 2.95Å; Q444-R447 PolarHBondContact O-N 2.86Å; Q444-R447 VanDerWaalsContact O-O 3.08Å
445	D	85.8	Confident	88.5	Confident	162 Å²	162	59 Å²	59	87%	0.866	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.6	-176.9	-49.3	-40.8	0	0	0	113.3	R447	D445-R447 PolarHBondContact O-N 3.38Å; D445-R447 VanDerWaalsContact O-N 3.12Å
446	G	86.5	Confident	88.2	Confident	60 Å²	60	62.5 Å²	62.5	62%	0.619	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	2.9	-178.9	0	0	0	0	0	115.1	Q444	Q444-G446 PolarHBondContact O-N 3.12Å
447	R	87.3	Confident	88.1	Confident	157 Å²	157	62.7 Å²	62.7	59%	0.592	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-115.9	146.5	-178.6	-61.6	-177.1	-171.1	-167.9	4.1	111.7	K443 Q444 D445	K443-R447 WeakPolarHBondContact CA-O 3.4Å; Q444-R447 PolarHBondContact N-O 2.95Å; Q444-R447 PolarHBondContact O-N 2.86Å; Q444-R447 VanDerWaalsContact O-O 3.08Å; D445-R447 PolarHBondContact O-N 3.38Å; D445-R447 VanDerWaalsContact O-N 3.12Å
448	C	89.5	Confident	88.1	Confident	27 Å²	27	62.7 Å²	62.7	18%	0.182	30%	0.299	C	S	.	.			trans	-83.6	-177.4	169.6	-66.9	0	0	0	0	111.1	S377 C378 R450	S377-C448 WeakPolarHBondContact O-CB 3.36Å; C378-C448 HydrophobicContact CB-CB 3.97Å; C378-C448 WeakPolarHBondContact CB-SG 3.12Å; C378-C448 WeakPolarHBondContact SG-CB 3.11Å; C378-C448 CovalentContact SG-SG 2.02Å; C378-C448 PolarHBondContact SG-SG 3.42Å; C448-R450 PolarHBondContact O-N 2.88Å
449	V	88.9	Confident	88	Confident	11 Å²	11	63.2 Å²	63.2	7%	0.067	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-51.9	124.6	-177.1	-177.2	0	0	0	0	111.3	L374 S377 L400 F415 L441 I455	L374-V449 HydrophobicContact CD1-CG2 4.48Å; L374-V449 HydrophobicContact CD2-CG1 4.37Å; S377-V449 WeakPolarHBondContact O-CB 3.43Å; S377-V449 WeakPolarHBondContact O-CG2 3.47Å; S377-V449 PolarHBondContact O-N 3.09Å; L400-V449 HydrophobicContact CD1-CB 4.2Å; L400-V449 HydrophobicContact CD1-CG1 3.64Å; L400-V449 HydrophobicContact CD1-CG2 3.45Å; L400-V449 VanDerWaalsContact CD1-CG2 3.45Å; F415-V449 HydrophobicContact CD2-CG2 4.2Å; F415-V449 HydrophobicContact CE1-CG2 4.01Å; F415-V449 HydrophobicContact CE2-CB 4.49Å; F415-V449 HydrophobicContact CE2-CG1 4.45Å; F415-V449 HydrophobicContact CE2-CG2 3.65Å; F415-V449 HydrophobicContact CZ-CB 4.18Å; F415-V449 HydrophobicContact CZ-CG1 4.45Å; F415-V449 HydrophobicContact CZ-CG2 3.56Å; L441-V449 HydrophobicContact CD1-CG2 3.52Å; V449-I455 HydrophobicContact CG1-CG2 3.39Å
450	R	81.6	Confident	87.9	Confident	169 Å²	169	64.9 Å²	64.9	64%	0.638	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-81	135.3	170.5	-67.4	-176.4	179.3	-174.4	3	109.7	C448	C448-R450 PolarHBondContact O-N 2.88Å
451	R	78.8	Confident	87.7	Confident	146 Å²	146	63.8 Å²	63.8	55%	0.551	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-68.5	135.3	176.2	-64.8	-176	-176.5	117.3	7.9	110.3	V329 I455	V329-R451 VanDerWaalsContact CG1-CZ 3.41Å; V329-R451 PolarHBondContact O-NE 3.22Å; R451-I455 WeakPolarHBondContact CA-O 3.5Å
452	T	74.1	Confident	87.3	Confident	45 Å²	45	69.8 Å²	69.8	28%	0.276	34%	0.335	S	S	.	.			trans	-130.8	177.9	171.8	71.8	0	0	0	0	108.6	F454 I455 R456	T452-F454 PolarHBondContact O-N 3.13Å; T452-F454 PolarHBondContact OG1-N 2.99Å; T452-I455 PolarHBondContact N-O 3.37Å; T452-I455 WeakPolarHBondContact OG1-CB 3.26Å; T452-I455 PolarHBondContact OG1-N 3.48Å; T452-R456 WeakPolarHBondContact O-CG 3.2Å; T452-R456 PolarHBondContact O-NE 2.72Å; T452-R456 VanDerWaalsContact O-NE 3.15Å
453	P	68.7	Low	87	Confident	62 Å²	62	70.7 Å²	70.7	40%	0.403	34%	0.338	S	S	.	.	S	Bend	trans	-59.2	-28.4	168.3	-26.7	37.3	0	0	0	113.4
454	F	77.2	Confident	86.7	Confident	51 Å²	51	69.3 Å²	69.3	22%	0.224	34%	0.344	C	S	.	.	S	Bend	trans	-98.3	-12.6	-176.5	-53.5	-80	0	0	0	113.9	P353 P357 N411 T452	P353-F454 HydrophobicContact CB-CD1 4.42Å; P353-F454 HydrophobicContact CB-CE1 4.06Å; P357-F454 VanDerWaalsContact CA-O 3.27Å; P357-F454 WeakPolarHBondContact CA-O 3.4Å; P357-F454 WeakPolarHBondContact CB-O 3.5Å; N411-F454 HydrophobicContact CB-CB 4.35Å; N411-F454 HydrophobicContact CB-CD2 3.59Å; N411-F454 HydrophobicContact CB-CE2 4Å; N411-F454 HydrophobicContact CB-CG 3.91Å; N411-F454 VanDerWaalsContact CG-CD2 3.42Å; N411-F454 VanDerWaalsContact ND2-CE2 3.32Å; N411-F454 WeakPolarHBondContact ND2-CE2 3.39Å; N411-F454 WeakPolarHBondContact ND2-CZ 3.3Å; N411-F454 WeakPolarHBondContact OD1-CE2 3.49Å; T452-F454 PolarHBondContact O-N 3.13Å; T452-F454 PolarHBondContact OG1-N 2.99Å
455	I	84.6	Confident	86.6	Confident	1 Å²	1	66 Å²	66	1%	0.005	33%	0.329	C	S	.	.			trans	-131.9	104.8	-176.4	-54.2	173.2	0	0	0	109.3	P357 L374 L400 R413 V449 R451 T452	P357-I455 CarbonylContact O-C 3.55Å; P357-I455 VanDerWaalsContact O-CA 3.3Å; P357-I455 WeakPolarHBondContact O-CA 3.4Å; L374-I455 HydrophobicContact CD2-CG2 3.88Å; L400-I455 HydrophobicContact CB-CD1 3.88Å; L400-I455 HydrophobicContact CB-CG1 3.99Å; L400-I455 HydrophobicContact CB-CG2 3.91Å; L400-I455 HydrophobicContact CD1-CG2 3.9Å; L400-I455 HydrophobicContact CG-CG2 4.49Å; R413-I455 HydrophobicContact CB-CD1 3.94Å; R413-I455 HydrophobicContact CG-CD1 3.77Å; V449-I455 HydrophobicContact CG1-CG2 3.39Å; R451-I455 WeakPolarHBondContact CA-O 3.5Å; T452-I455 PolarHBondContact N-O 3.37Å; T452-I455 WeakPolarHBondContact OG1-CB 3.26Å; T452-I455 PolarHBondContact OG1-N 3.48Å
456	R	87.8	Confident	86.7	Confident	74 Å²	74	66.7 Å²	66.7	28%	0.279	32%	0.324	S	S	.	.			trans	-148.4	143.1	179.3	-61.7	-175.9	172.3	-170.2	-5.5	110.5	V332 P357 W358 T452	V332-R456 WeakPolarHBondContact O-CD 3.4Å; P357-R456 CarbonylContact C-O 3.51Å; P357-R456 VanDerWaalsContact C-O 3.32Å; P357-R456 HydrophobicContact CB-CB 3.97Å; P357-R456 HydrophobicContact CB-CG 4.19Å; P357-R456 HydrophobicContact CG-CB 3.92Å; P357-R456 HydrophobicContact CG-CG 4.35Å; P357-R456 PolarHBondContact O-N 3.13Å; P357-R456 VanDerWaalsContact O-O 3.13Å; W358-R456 WeakPolarHBondContact CA-O 3.3Å; W358-R456 VanDerWaalsContact CB-O 3.29Å; W358-R456 WeakPolarHBondContact CB-O 3.38Å; W358-R456 PolarHBondContact N-O 3.39Å; T452-R456 WeakPolarHBondContact O-CG 3.2Å; T452-R456 PolarHBondContact O-NE 2.72Å; T452-R456 VanDerWaalsContact O-NE 3.15Å
457	P	94.6	Very high	86.7	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.032	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72	146.5	178.7	29.2	-33.4	0	0	0	111.8	C330 G331 L374	C330-P457 CarbonylContact C-O 3.57Å; C330-P457 VanDerWaalsContact CA-O 3.24Å; C330-P457 WeakPolarHBondContact CA-O 3.34Å; C330-P457 HydrophobicContact CB-CB 4.4Å; C330-P457 HydrophobicContact CB-CG 4.07Å; C330-P457 WeakPolarHBondContact CB-O 3.43Å; G331-P457 PolarHBondContact N-O 3.31Å; L374-P457 HydrophobicContact CG-CB 4.38Å; L374-P457 CarbonylContact O-C 3.59Å; L374-P457 WeakPolarHBondContact O-CA 3.09Å
458	I	96.2	Very high	86.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-79.7	149.7	165.3	-168.6	165.2	0	0	0	109.7	W358 L374 I375 A539 S546 L548	W358-I458 HydrophobicContact CB-CB 3.77Å; W358-I458 HydrophobicContact CB-CG2 4.15Å; W358-I458 HydrophobicContact CD2-CB 3.81Å; W358-I458 HydrophobicContact CD2-CD1 4.07Å; W358-I458 HydrophobicContact CD2-CG1 4.16Å; W358-I458 HydrophobicContact CE3-CB 4.06Å; W358-I458 HydrophobicContact CE3-CG1 4.35Å; W358-I458 HydrophobicContact CG-CB 3.68Å; W358-I458 HydrophobicContact CG-CD1 4.3Å; W358-I458 HydrophobicContact CG-CG1 4.42Å; W358-I458 HydrophobicContact CG-CG2 4.29Å; W358-I458 HydrophobicContact CZ2-CD1 4.36Å; L374-I458 PolarHBondContact O-N 2.79Å; I375-I458 HydrophobicContact CG2-CG2 4.19Å; I458-A539 HydrophobicContact CD1-CB 3.74Å; I458-S546 WeakPolarHBondContact CG1-O 3.41Å; I458-L548 HydrophobicContact CD1-CB 3.93Å; I458-L548 HydrophobicContact CD1-CD1 4.39Å; I458-L548 HydrophobicContact CG1-CB 4.15Å; I458-L548 HydrophobicContact CG2-CB 3.78Å; I458-L548 HydrophobicContact CG2-CD2 4.09Å; I458-L548 HydrophobicContact CG2-CG 4.37Å
459	C	95.5	Very high	86.3	Confident	10 Å²	10	63.2 Å²	63.2	7%	0.068	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-76.8	143.2	177.2	-66.7	0	0	0	0	111.5	C330 V545 S546 F547 L548	C330-C459 HydrophobicContact CB-CB 4.09Å; C330-C459 WeakPolarHBondContact CB-SG 3.39Å; C330-C459 PolarHBondContact O-SG 3.32Å; C330-C459 WeakPolarHBondContact SG-CA 3.37Å; C330-C459 WeakPolarHBondContact SG-CB 3.35Å; C330-C459 CovalentContact SG-SG 2.05Å; C330-C459 PolarHBondContact SG-SG 2.98Å; C459-V545 HydrophobicContact CB-CG1 4.16Å; C459-V545 WeakPolarHBondContact SG-CG1 3.37Å; C459-S546 PolarHBondContact N-O 3.4Å; C459-F547 HydrophobicContact CB-CD1 3.62Å; C459-F547 HydrophobicContact CB-CE1 3.73Å; C459-F547 HydrophobicContact CB-CG 4.37Å; C459-F547 CarbonylContact O-C 3.15Å; C459-F547 VanDerWaalsContact O-CA 3.31Å; C459-F547 WeakPolarHBondContact O-CA 3.49Å; C459-L548 PolarHBondContact O-N 2.88Å
460	L	95.5	Very high	85.6	Confident	36 Å²	36	64.2 Å²	64.2	19%	0.188	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-79.4	140.8	164.7	-67.3	174	0	0	0	109.3	I375 V570 L574 I577	I375-L460 HydrophobicContact CB-CD2 4.38Å; I375-L460 HydrophobicContact CB-CG 4.47Å; I375-L460 HydrophobicContact CD1-CD1 4.43Å; I375-L460 HydrophobicContact CG2-CD2 3.96Å; L460-V570 HydrophobicContact CD2-CG1 4.05Å; L460-L574 HydrophobicContact CB-CD2 4.03Å; L460-I577 HydrophobicContact CD1-CG2 3.81Å; L460-I577 HydrophobicContact CD2-CD1 4.42Å
461	P	93.4	Very high	85.5	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.032	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-69.3	160	176.7	29.2	-34.9	0	0	0	111.4	M465 L548 V570 V571 L574	P461-M465 HydrophobicContact CB-CB 4.23Å; P461-M465 HydrophobicContact CB-CG 4.44Å; P461-M465 HydrophobicContact CB-SD 3.87Å; P461-L548 WeakPolarHBondContact CD-O 3.33Å; P461-V570 HydrophobicContact CG-CG1 4.38Å; P461-V571 HydrophobicContact CB-CG2 4Å; P461-V571 HydrophobicContact CG-CG2 3.59Å; P461-L574 HydrophobicContact CG-CD2 4.44Å; P461-L574 WeakPolarHBondContact O-CD1 3.43Å
462	E	89.7	Confident	85.2	Confident	129 Å²	129	54.4 Å²	54.4	60%	0.603	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-80.7	155.2	167.2	-65.3	176.6	-176.5	0	0	110.4	S464 M465	E462-S464 PolarHBondContact O-N 3.11Å; E462-M465 HydrophobicContact CB-CB 4.34Å; E462-M465 WeakPolarHBondContact O-CB 3.41Å; E462-M465 PolarHBondContact O-N 2.02Å
463	K	87.6	Confident	85.5	Confident	124 Å²	124	52.5 Å²	52.5	54%	0.539	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.8	179.8	-75.7	-170.1	177.1	-175.5	0	114.1	M465 L574 D575	K463-M465 VanDerWaalsContact C-N 3.31Å; K463-L574 HydrophobicContact CG-CD1 3.97Å; K463-D575 VanDerWaalsContact CE-CG 3.47Å; K463-D575 WeakPolarHBondContact CE-OD1 3.09Å; K463-D575 WeakPolarHBondContact CE-OD2 3.47Å; K463-D575 IonicContact NZ-OD1 3.17Å; K463-D575 PolarHBondContact NZ-OD1 3Å; K463-D575 IonicContact NZ-OD2 2.71Å; K463-D575 PolarHBondContact NZ-OD2 3.29Å
464	S	88.3	Confident	86.2	Confident	91 Å²	91	50.7 Å²	50.7	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.5	178.5	56.2	0	0	0	0	113	E462 K466	E462-S464 PolarHBondContact O-N 3.11Å; S464-K466 PolarHBondContact O-N 3.43Å
465	M	87.2	Confident	86.6	Confident	20 Å²	20	48.6 Å²	48.6	10%	0.099	27%	0.265	C	S	.	.			trans	-72.7	113.5	-176.4	-172.6	173.1	-69.6	0	0	110.3	P461 E462 K463 F467 K542 F547	P461-M465 HydrophobicContact CB-CB 4.23Å; P461-M465 HydrophobicContact CB-CG 4.44Å; P461-M465 HydrophobicContact CB-SD 3.87Å; E462-M465 HydrophobicContact CB-CB 4.34Å; E462-M465 WeakPolarHBondContact O-CB 3.41Å; E462-M465 PolarHBondContact O-N 2.02Å; K463-M465 VanDerWaalsContact C-N 3.31Å; M465-F467 HydrophobicContact CG-CE2 3.94Å; M465-F467 HydrophobicContact CG-CZ 4.24Å; M465-F467 HydrophobicContact SD-CE2 3.83Å; M465-F467 HydrophobicContact SD-CZ 3.87Å; M465-K542 HydrophobicContact CE-CD 4.45Å; M465-F547 HydrophobicContact CE-CD1 4.07Å; M465-F547 HydrophobicContact CE-CD2 4.39Å; M465-F547 HydrophobicContact CE-CE1 3.81Å; M465-F547 HydrophobicContact CE-CE2 4.18Å; M465-F547 HydrophobicContact CE-CG 4.35Å; M465-F547 HydrophobicContact CE-CZ 3.87Å; M465-F547 HydrophobicContact SD-CB 4.28Å; M465-F547 HydrophobicContact SD-CD1 3.96Å; M465-F547 HydrophobicContact SD-CD2 4.09Å; M465-F547 HydrophobicContact SD-CE1 4.32Å; M465-F547 HydrophobicContact SD-CE2 4.46Å; M465-F547 HydrophobicContact SD-CG 3.83Å
466	K	88.4	Confident	86.6	Confident	177 Å²	177	48.8 Å²	48.8	77%	0.77	27%	0.266	S	S	*	.			trans	-122.4	133.7	174.8	-63.5	-177.4	-179.1	-177.9	0	109.4	S464	S464-K466 PolarHBondContact O-N 3.43Å
467	F	86.6	Confident	86.6	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.079	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-101.5	130.4	168.3	-65.9	-81.1	0	0	0	108.7	M465 Y471 L498 C540 K542 Y549	M465-F467 HydrophobicContact CG-CE2 3.94Å; M465-F467 HydrophobicContact CG-CZ 4.24Å; M465-F467 HydrophobicContact SD-CE2 3.83Å; M465-F467 HydrophobicContact SD-CZ 3.87Å; F467-Y471 HydrophobicContact CB-CD1 4.13Å; F467-Y471 HydrophobicContact CB-CG 4.13Å; F467-Y471 AromaticContact CD1-CD1 3.61Å; F467-Y471 HydrophobicContact CD1-CD1 3.61Å; F467-Y471 HydrophobicContact CD1-CD2 4.27Å; F467-Y471 AromaticContact CD1-CE1 3.38Å; F467-Y471 HydrophobicContact CD1-CE1 3.38Å; F467-Y471 HydrophobicContact CD1-CE2 4.07Å; F467-Y471 HydrophobicContact CD1-CG 4.06Å; F467-Y471 AromaticContact CD1-CZ 3.63Å; F467-Y471 HydrophobicContact CE1-CD1 4.38Å; F467-Y471 AromaticContact CE1-CE1 3.72Å; F467-Y471 HydrophobicContact CE1-CE1 3.72Å; F467-Y471 AromaticContact CE1-CZ 3.88Å; F467-Y471 HydrophobicContact CG-CD1 4.14Å; F467-Y471 HydrophobicContact CG-CE1 4.3Å; F467-L498 HydrophobicContact CB-CD1 3.48Å; F467-L498 VanDerWaalsContact CB-CD1 3.48Å; F467-C540 HydrophobicContact CD1-CB 4.17Å; F467-C540 HydrophobicContact CD2-CB 3.79Å; F467-C540 HydrophobicContact CE1-CB 3.96Å; F467-C540 HydrophobicContact CE2-CB 3.57Å; F467-C540 HydrophobicContact CG-CB 4.09Å; F467-C540 HydrophobicContact CZ-CB 3.66Å; F467-K542 HydrophobicContact CE1-CB 4.34Å; F467-K542 HydrophobicContact CZ-CB 4.49Å; F467-Y549 HydrophobicContact CB-CE1 4.15Å; F467-Y549 AromaticContact CD2-CD1 4Å; F467-Y549 HydrophobicContact CD2-CD1 4Å; F467-Y549 AromaticContact CD2-CD2 3.67Å; F467-Y549 HydrophobicContact CD2-CD2 3.67Å; F467-Y549 AromaticContact CD2-CE1 4Å; F467-Y549 HydrophobicContact CD2-CE1 4Å; F467-Y549 AromaticContact CD2-CE2 3.72Å; F467-Y549 HydrophobicContact CD2-CE2 3.72Å; F467-Y549 AromaticContact CD2-CG 3.83Å; F467-Y549 HydrophobicContact CD2-CG 3.83Å; F467-Y549 AromaticContact CD2-CZ 3.88Å; F467-Y549 AromaticContact CE2-CD2 3.96Å; F467-Y549 HydrophobicContact CE2-CD2 3.96Å; F467-Y549 HydrophobicContact CE2-CE2 4.33Å; F467-Y549 HydrophobicContact CE2-CG 4.21Å; F467-Y549 PolarHBondContact N-OH 2.77Å
468	P	84.3	Confident	86	Confident	86 Å²	86	45.2 Å²	45.2	56%	0.558	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-68.8	161.7	-176	28.1	-34.6	0	0	0	112.1	Y471	P468-Y471 HydrophobicContact CG-CD2 4.1Å; P468-Y471 WeakPolarHBondContact O-CB 3.43Å; P468-Y471 PolarHBondContact O-N 3.25Å; P468-Y471 VanDerWaalsContact O-N 3.16Å
469	A	83.9	Confident	84.6	Confident	67 Å²	67	45.5 Å²	45.5	55%	0.554	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	144.1	170	0	0	0	0	0	110.5	Y471	A469-Y471 PolarHBondContact O-N 3.22Å
470	G	73.6	Confident	82.8	Confident	32 Å²	32	49 Å²	49	33%	0.33	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-7.1	-174.6	0	0	0	0	0	114.9	R497 L498	G470-R497 PolarHBondContact O-NH1 3.39Å; G470-L498 WeakPolarHBondContact CA-O 3.29Å; G470-L498 PolarHBondContact N-O 3.13Å
471	Y	78.8	Confident	80.4	Confident	79 Å²	79	52.7 Å²	52.7	31%	0.31	29%	0.285	S	S	.	.			trans	-61.1	136.2	176.8	-162.6	-93	0	0	0	111.1	F467 P468 A469 R497 L498 C540 A541	F467-Y471 HydrophobicContact CB-CD1 4.13Å; F467-Y471 HydrophobicContact CB-CG 4.13Å; F467-Y471 AromaticContact CD1-CD1 3.61Å; F467-Y471 HydrophobicContact CD1-CD1 3.61Å; F467-Y471 HydrophobicContact CD1-CD2 4.27Å; F467-Y471 AromaticContact CD1-CE1 3.38Å; F467-Y471 HydrophobicContact CD1-CE1 3.38Å; F467-Y471 HydrophobicContact CD1-CE2 4.07Å; F467-Y471 HydrophobicContact CD1-CG 4.06Å; F467-Y471 AromaticContact CD1-CZ 3.63Å; F467-Y471 HydrophobicContact CE1-CD1 4.38Å; F467-Y471 AromaticContact CE1-CE1 3.72Å; F467-Y471 HydrophobicContact CE1-CE1 3.72Å; F467-Y471 AromaticContact CE1-CZ 3.88Å; F467-Y471 HydrophobicContact CG-CD1 4.14Å; F467-Y471 HydrophobicContact CG-CE1 4.3Å; P468-Y471 HydrophobicContact CG-CD2 4.1Å; P468-Y471 WeakPolarHBondContact O-CB 3.43Å; P468-Y471 PolarHBondContact O-N 3.25Å; P468-Y471 VanDerWaalsContact O-N 3.16Å; A469-Y471 PolarHBondContact O-N 3.22Å; Y471-R497 WeakPolarHBondContact O-CA 3.32Å; Y471-L498 PolarHBondContact O-N 2.81Å; Y471-C540 HydrophobicContact CE1-CB 4.42Å; Y471-A541 PolarHBondContact OH-O 3.33Å
472	C	72.8	Confident	78.1	Confident	31 Å²	31	61.9 Å²	61.9	21%	0.209	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.4	179.8	-66.4	0	0	0	0	110.6	V340 V496	V340-C472 HydrophobicContact CG1-CB 4.37Å; C472-V496 WeakPolarHBondContact CA-O 3.18Å
473	C	81.1	Confident	75.7	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.027	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	171.4	169.6	-56.6	0	0	0	0	109.5	G495 V496 L538 A539 C540	C473-G495 CarbonylContact O-C 3.56Å; C473-G495 WeakPolarHBondContact O-CA 3.28Å; C473-V496 HydrophobicContact CB-CG2 4.46Å; C473-V496 PolarHBondContact N-O 2.85Å; C473-V496 PolarHBondContact O-N 2.96Å; C473-V496 VanDerWaalsContact O-O 3.12Å; C473-L538 HydrophobicContact CB-CD1 3.78Å; C473-L538 HydrophobicContact CB-CG 4.27Å; C473-A539 WeakPolarHBondContact CA-O 3.37Å; C473-A539 WeakPolarHBondContact CB-O 3.45Å; C473-C540 HydrophobicContact CB-CB 4.09Å; C473-C540 WeakPolarHBondContact CB-SG 3.5Å; C473-C540 WeakPolarHBondContact SG-CB 3.43Å; C473-C540 CovalentContact SG-SG 2.04Å; C473-C540 PolarHBondContact SG-SG 3.26Å
474	A	82.4	Confident	73.1	Confident	24 Å²	24	65.1 Å²	65.1	20%	0.198	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.3	177.5	0	0	0	0	0	110.2	A494 A539	A474-A494 CarbonylContact C-O 3.53Å; A474-A494 VanDerWaalsContact CA-O 3.3Å; A474-A494 WeakPolarHBondContact CA-O 3.44Å; A474-A539 PolarHBondContact N-O 3.21Å; A474-A539 PolarHBondContact O-N 3.27Å
475	I	85.3	Confident	70.8	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.9	166.6	59	171.8	0	0	0	108.9	E493 A494 V496 A529 P537 L538 I552 Y567	I475-E493 WeakPolarHBondContact O-CA 3.23Å; I475-A494 HydrophobicContact CD1-CB 4.22Å; I475-A494 HydrophobicContact CG1-CB 3.86Å; I475-A494 PolarHBondContact N-O 2.97Å; I475-A494 PolarHBondContact O-N 2.9Å; I475-V496 HydrophobicContact CD1-CG1 3.83Å; I475-V496 HydrophobicContact CG1-CG1 4.03Å; I475-V496 HydrophobicContact CG2-CG1 4.44Å; I475-V496 HydrophobicContact CG2-CG2 3.88Å; I475-A529 HydrophobicContact CD1-CB 3.96Å; I475-P537 WeakPolarHBondContact CA-O 3.36Å; I475-L538 HydrophobicContact CG2-CD1 3.64Å; I475-I552 HydrophobicContact CB-CD1 4.43Å; I475-Y567 HydrophobicContact CG2-CE1 3.81Å
476	S	86.5	Confident	68.3	Low	5 Å²	5	69.8 Å²	69.8	4%	0.035	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.5	178	55	0	0	0	0	111	M359 Q492 P537	M359-S476 VanDerWaalsContact CE-O 3.3Å; M359-S476 WeakPolarHBondContact CE-O 2.97Å; M359-S476 PolarHBondContact SD-OG 2.94Å; S476-Q492 WeakPolarHBondContact CA-O 3.41Å; S476-Q492 WeakPolarHBondContact CB-O 3.38Å; S476-P537 WeakPolarHBondContact OG-CG 3.49Å
477	G	86.6	Confident	66.5	Low	1 Å²	1	63.8 Å²	63.8	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177	-175.5	-179.9	0	0	0	0	0	112.6	Q492 D533	G477-Q492 PolarHBondContact N-O 3.34Å; G477-Q492 VanDerWaalsContact N-O 3.17Å; G477-Q492 PolarHBondContact O-N 3.32Å; G477-D533 WeakPolarHBondContact CA-OD1 3.27Å
478	W	81.3	Confident	64.9	Low	2 Å²	2	66.3 Å²	66.3	1%	0.008	35%	0.354	C	S	.	.			trans	-108.2	7.6	-176.5	-65.8	-91.3	0	0	0	112.6	M359 A361 F369 Q402 H403 F405 Y488 L491 D533	M359-W478 HydrophobicContact CB-CH2 3.75Å; M359-W478 HydrophobicContact CB-CZ3 4.33Å; M359-W478 HydrophobicContact CE-CE3 4.05Å; M359-W478 HydrophobicContact CE-CH2 3.98Å; M359-W478 HydrophobicContact CE-CZ3 3.41Å; M359-W478 VanDerWaalsContact CE-CZ3 3.41Å; A361-W478 HydrophobicContact CB-CH2 3.89Å; A361-W478 HydrophobicContact CB-CZ2 4.39Å; A361-W478 HydrophobicContact CB-CZ3 4.06Å; F369-W478 HydrophobicContact CE1-CB 4.06Å; F369-W478 HydrophobicContact CE1-CE3 4.15Å; F369-W478 HydrophobicContact CZ-CB 4.23Å; F369-W478 HydrophobicContact CZ-CD2 4.09Å; F369-W478 AromaticContact CZ-CE3 3.64Å; F369-W478 HydrophobicContact CZ-CE3 3.64Å; F369-W478 HydrophobicContact CZ-CG 4.36Å; F369-W478 HydrophobicContact CZ-CZ3 4.26Å; Q402-W478 HydrophobicContact CB-CZ2 4.29Å; Q402-W478 WeakPolarHBondContact O-CZ2 3.04Å; H403-W478 PolarHBondContact O-NE1 2.71Å; F405-W478 HydrophobicContact CD2-CB 4.19Å; F405-W478 HydrophobicContact CD2-CG 4.49Å; W478-Y488 WeakPolarHBondContact O-CD1 3.48Å; W478-L491 HydrophobicContact CD2-CD1 3.73Å; W478-L491 HydrophobicContact CE3-CD1 3.97Å; W478-L491 HydrophobicContact CG-CD1 4.37Å; W478-L491 HydrophobicContact CH2-CD1 3.99Å; W478-L491 HydrophobicContact CZ2-CB 4.4Å; W478-L491 HydrophobicContact CZ2-CD1 3.68Å; W478-L491 HydrophobicContact CZ2-CG 4.45Å; W478-L491 HydrophobicContact CZ3-CD1 4.12Å; W478-D533 PolarHBondContact N-OD1 3.17Å; W478-D533 VanDerWaalsContact N-OD1 3.09Å
479	G	67.8	Low	63.7	Low	7 Å²	7	64.9 Å²	64.9	7%	0.072	35%	0.346	C	S	.	.			trans	-59.3	161.1	-174.1	0	0	0	0	0	114.3	Q531 D533	G479-Q531 CarbonylContact C-O 3.45Å; G479-Q531 WeakPolarHBondContact CA-O 3.47Å; G479-D533 WeakPolarHBondContact CA-OD1 3.06Å; G479-D533 PolarHBondContact N-OD1 2.8Å
480	R	58.2	Low	63.1	Low	82 Å²	82	62.9 Å²	62.9	31%	0.309	33%	0.327	S	S	.	.			trans	-67.9	131.5	-177.1	-61.5	-178	-178.1	-172.7	0.1	109.9	R482 Y488 C530 Q531	R480-R482 PolarHBondContact O-N 2.88Å; R480-R482 VanDerWaalsContact O-N 3.13Å; R480-Y488 HydrophobicContact CG-CE1 4.46Å; R480-C530 WeakPolarHBondContact O-CB 3.45Å; R480-C530 PolarHBondContact O-SG 3.14Å; R480-Q531 PolarHBondContact N-O 3.31Å
481	M	45	Very low	63.2	Low	115 Å²	115	61.7 Å²	61.7	57%	0.567	31%	0.313	S	S	*	.	S	Bend	trans	-66	-15.1	177.8	-66.2	-170.7	-72.7	0	0	114
482	R	45.5	Very low	63.1	Low	198 Å²	198	58.9 Å²	58.9	75%	0.747	30%	0.303	S	S	*	.	S	Bend	trans	-153.6	152.2	176.2	-62.4	-174.8	179.6	165.3	-1.2	110.2	R480 K484 A485	R480-R482 PolarHBondContact O-N 2.88Å; R480-R482 VanDerWaalsContact O-N 3.13Å; R482-K484 PolarHBondContact O-N 2.93Å; R482-A485 HydrophobicContact CB-CB 4.45Å; R482-A485 PolarHBondContact O-N 3.34Å; R482-A485 VanDerWaalsContact O-N 3.14Å
483	E	37.8	Very low	63.2	Low	120 Å²	120	58.8 Å²	58.8	56%	0.561	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.3	178.3	-78.7	-175.9	155	0	0	114.5
484	K	33.6	Very low	62.8	Low	200 Å²	200	59.3 Å²	59.3	87%	0.87	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	15	-177	-64.5	-174.7	178.9	-179.9	0	115.4	R482	R482-K484 PolarHBondContact O-N 2.93Å
485	A	39.3	Very low	62.4	Low	33 Å²	33	59.4 Å²	59.4	27%	0.273	31%	0.307	S	S	.	.			trans	-80.2	134.7	179.8	0	0	0	0	0	112.4	R482 G487	R482-A485 HydrophobicContact CB-CB 4.45Å; R482-A485 PolarHBondContact O-N 3.34Å; R482-A485 VanDerWaalsContact O-N 3.14Å; A485-G487 PolarHBondContact O-N 2.88Å
486	N	35.4	Very low	61.9	Low	176 Å²	176	59 Å²	59	94%	0.941	31%	0.305	S	S	*	.			trans	-76.8	110.6	174.7	-82.3	-11.3	0	0	0	110.8
487	G	50.5	Low	61.5	Low	51 Å²	51	63.8 Å²	63.8	53%	0.526	32%	0.322	S	S	.	.	S	Bend	trans	94	147.8	165.3	0	0	0	0	0	116.3	A485	A485-G487 PolarHBondContact O-N 2.88Å
488	Y	53.4	Low	61.4	Low	71 Å²	71	64 Å²	64	28%	0.278	32%	0.323	S	S	.	.			trans	-77	141.1	170	-61.4	-74.7	0	0	0	110.2	F405 W478 R480	F405-Y488 VanDerWaalsContact CD1-CB 3.49Å; F405-Y488 AromaticContact CD1-CD2 4Å; F405-Y488 HydrophobicContact CD1-CD2 4Å; F405-Y488 HydrophobicContact CD1-CG 4.1Å; F405-Y488 HydrophobicContact CD2-CD2 4.24Å; F405-Y488 AromaticContact CD2-CG 3.9Å; F405-Y488 HydrophobicContact CD2-CG 3.9Å; F405-Y488 AromaticContact CE1-CD2 3.44Å; F405-Y488 HydrophobicContact CE1-CD2 3.44Å; F405-Y488 VanDerWaalsContact CE1-CD2 3.44Å; F405-Y488 HydrophobicContact CE1-CE2 4.28Å; F405-Y488 AromaticContact CE1-CG 3.98Å; F405-Y488 HydrophobicContact CE1-CG 3.98Å; F405-Y488 HydrophobicContact CE2-CD1 4.36Å; F405-Y488 AromaticContact CE2-CD2 3.71Å; F405-Y488 HydrophobicContact CE2-CD2 3.71Å; F405-Y488 HydrophobicContact CE2-CE2 4.23Å; F405-Y488 AromaticContact CE2-CG 3.76Å; F405-Y488 HydrophobicContact CE2-CG 3.76Å; F405-Y488 HydrophobicContact CG-CD2 4.36Å; F405-Y488 HydrophobicContact CG-CG 4.06Å; F405-Y488 AromaticContact CZ-CD2 3.27Å; F405-Y488 HydrophobicContact CZ-CD2 3.27Å; F405-Y488 AromaticContact CZ-CE2 3.77Å; F405-Y488 HydrophobicContact CZ-CE2 3.77Å; F405-Y488 AromaticContact CZ-CG 3.81Å; F405-Y488 HydrophobicContact CZ-CG 3.81Å; W478-Y488 WeakPolarHBondContact O-CD1 3.48Å; R480-Y488 HydrophobicContact CG-CE1 4.46Å
489	S	59.1	Low	61.6	Low	57 Å²	57	64.8 Å²	64.8	40%	0.399	33%	0.328	S	S	.	.			trans	-107.9	-163.9	-172.3	-166.1	0	0	0	0	112.7	F405	F405-S489 WeakPolarHBondContact CB-O 3.22Å; F405-S489 PolarHBondContact N-O 2.85Å
490	T	71.3	Confident	62.7	Low	25 Å²	25	66.3 Å²	66.3	15%	0.153	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-58.2	155	161.7	45.9	0	0	0	0	111.3	H404 Q492	H404-T490 WeakPolarHBondContact CE1-CG2 3.43Å; H404-T490 WeakPolarHBondContact ND1-CG2 3.4Å; T490-Q492 PolarHBondContact O-N 3.33Å; T490-Q492 PolarHBondContact O-NE2 3.41Å; T490-Q492 PolarHBondContact OG1-NE2 3.25Å
491	L	75.7	Confident	64.2	Low	6 Å²	6	64.3 Å²	64.3	3%	0.031	33%	0.332	C	S	.	.			trans	-52.6	130	175.2	-177.9	70.7	0	0	0	109.9	A350 A351 H356 M359 H403 W478	A350-L491 CarbonylContact C-O 3.47Å; A351-L491 HydrophobicContact CB-CB 4.33Å; A351-L491 HydrophobicContact CB-CD2 3.95Å; A351-L491 HydrophobicContact CB-CG 3.92Å; A351-L491 WeakPolarHBondContact CB-O 3.5Å; A351-L491 PolarHBondContact N-O 3.22Å; H356-L491 HydrophobicContact CB-CD2 4.36Å; M359-L491 HydrophobicContact CE-CD1 4.01Å; M359-L491 HydrophobicContact CG-CD1 4.13Å; M359-L491 HydrophobicContact CG-CD2 4.09Å; H403-L491 PolarHBondContact O-N 3.33Å; W478-L491 HydrophobicContact CD2-CD1 3.73Å; W478-L491 HydrophobicContact CE3-CD1 3.97Å; W478-L491 HydrophobicContact CG-CD1 4.37Å; W478-L491 HydrophobicContact CH2-CD1 3.99Å; W478-L491 HydrophobicContact CZ2-CB 4.4Å; W478-L491 HydrophobicContact CZ2-CD1 3.68Å; W478-L491 HydrophobicContact CZ2-CG 4.45Å; W478-L491 HydrophobicContact CZ3-CD1 4.12Å
492	Q	76.6	Confident	66.4	Low	21 Å²	21	64.9 Å²	64.9	10%	0.098	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.5	178.2	-57.7	-59.6	-50.3	0	0	110.8	N349 S476 G477 T490	N349-Q492 CarbonylContact O-C 3.6Å; N349-Q492 WeakPolarHBondContact O-CA 3.47Å; N349-Q492 PolarHBondContact O-OE1 3.43Å; S476-Q492 WeakPolarHBondContact CA-O 3.41Å; S476-Q492 WeakPolarHBondContact CB-O 3.38Å; G477-Q492 PolarHBondContact N-O 3.34Å; G477-Q492 VanDerWaalsContact N-O 3.17Å; G477-Q492 PolarHBondContact O-N 3.32Å; T490-Q492 PolarHBondContact O-N 3.33Å; T490-Q492 PolarHBondContact O-NE2 3.41Å; T490-Q492 PolarHBondContact OG1-NE2 3.25Å
493	E	75.7	Confident	68.5	Low	28 Å²	28	56.9 Å²	56.9	13%	0.131	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.7	169.3	67.1	173.3	-179.5	0	0	111.8	K336 G348 N349 A351 T355 H356 I475	K336-E493 IonicContact NZ-OE1 2.95Å; K336-E493 PolarHBondContact NZ-OE1 2.96Å; G348-E493 WeakPolarHBondContact CA-O 3.15Å; N349-E493 PolarHBondContact N-O 2.75Å; N349-E493 PolarHBondContact O-N 3.44Å; A351-E493 HydrophobicContact CB-CB 4.03Å; A351-E493 HydrophobicContact CB-CG 4.1Å; T355-E493 WeakPolarHBondContact CG2-OE2 3.26Å; H356-E493 IonicContact CD2-OE2 2.73Å; H356-E493 IonicContact CE1-OE2 2.87Å; H356-E493 PolarHBondContact CE1-OE2 2.92Å; H356-E493 VanDerWaalsContact NE2-CB 3.34Å; H356-E493 WeakPolarHBondContact NE2-CB 3.21Å; H356-E493 IonicContact NE2-OE2 3Å; H356-E493 PolarHBondContact NE2-OE2 3.23Å; I475-E493 WeakPolarHBondContact O-CA 3.23Å
494	A	72.1	Confident	70.9	Confident	16 Å²	16	51.1 Å²	51.1	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.4	173.4	0	0	0	0	0	111.6	A474 I475 V527	A474-A494 CarbonylContact C-O 3.53Å; A474-A494 VanDerWaalsContact CA-O 3.3Å; A474-A494 WeakPolarHBondContact CA-O 3.44Å; I475-A494 HydrophobicContact CD1-CB 4.22Å; I475-A494 HydrophobicContact CG1-CB 3.86Å; I475-A494 PolarHBondContact N-O 2.97Å; I475-A494 PolarHBondContact O-N 2.9Å; A494-V527 HydrophobicContact CB-CB 4.25Å; A494-V527 HydrophobicContact CB-CG1 4.43Å
495	G	73.1	Confident	73.7	Confident	26 Å²	26	45.5 Å²	45.5	27%	0.268	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128	172.7	0	0	0	0	0	110.8	C473	C473-G495 CarbonylContact O-C 3.56Å; C473-G495 WeakPolarHBondContact O-CA 3.28Å
496	V	75.6	Confident	76.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.9	178.9	-63.5	0	0	0	0	110.8	C472 C473 I475 A521 V527 L538	C472-V496 WeakPolarHBondContact CA-O 3.18Å; C473-V496 HydrophobicContact CB-CG2 4.46Å; C473-V496 PolarHBondContact N-O 2.85Å; C473-V496 PolarHBondContact O-N 2.96Å; C473-V496 VanDerWaalsContact O-O 3.12Å; I475-V496 HydrophobicContact CD1-CG1 3.83Å; I475-V496 HydrophobicContact CG1-CG1 4.03Å; I475-V496 HydrophobicContact CG2-CG1 4.44Å; I475-V496 HydrophobicContact CG2-CG2 3.88Å; V496-A521 HydrophobicContact CB-CB 4.23Å; V496-A521 HydrophobicContact CG2-CB 3.93Å; V496-V527 WeakPolarHBondContact CG1-O 3.45Å; V496-L538 HydrophobicContact CG2-CD1 3.44Å; V496-L538 VanDerWaalsContact CG2-CD1 3.44Å
497	R	77.1	Confident	78.5	Confident	105 Å²	105	47.2 Å²	47.2	40%	0.396	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.7	176	-70.6	-176.3	-179.6	-90.3	5.1	110.5	G470 Y471 A521 G522	G470-R497 PolarHBondContact O-NH1 3.39Å; Y471-R497 WeakPolarHBondContact O-CA 3.32Å; R497-A521 CarbonylContact O-C 3.53Å; R497-A521 WeakPolarHBondContact O-CA 3.07Å; R497-A521 WeakPolarHBondContact O-CB 3.34Å; R497-G522 PolarHBondContact O-N 3.4Å
498	L	84.9	Confident	80.1	Confident	6 Å²	6	52 Å²	52	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139.1	171.6	-62.7	-174.2	0	0	0	110.6	F467 G470 Y471 I519 A521 L538 Y549	F467-L498 HydrophobicContact CB-CD1 3.48Å; F467-L498 VanDerWaalsContact CB-CD1 3.48Å; G470-L498 WeakPolarHBondContact CA-O 3.29Å; G470-L498 PolarHBondContact N-O 3.13Å; Y471-L498 PolarHBondContact O-N 2.81Å; L498-I519 HydrophobicContact CD1-CD1 4.27Å; L498-I519 HydrophobicContact CD2-CD1 3.84Å; L498-I519 HydrophobicContact CD2-CG1 4.47Å; L498-A521 HydrophobicContact CD2-CB 4.18Å; L498-L538 HydrophobicContact CD2-CD2 3.99Å; L498-Y549 HydrophobicContact CD1-CD1 4.12Å; L498-Y549 HydrophobicContact CD1-CE1 3.71Å; L498-Y549 HydrophobicContact CD2-CD1 4.37Å; L498-Y549 HydrophobicContact CD2-CE1 4.49Å
499	V	87.1	Confident	81.6	Confident	18 Å²	18	49.3 Å²	49.3	11%	0.109	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.5	179.1	178.1	0	0	0	0	107.4	V503 C520 L523 P564	V499-V503 HydrophobicContact CG1-CB 3.88Å; V499-V503 HydrophobicContact CG1-CG1 3.68Å; V499-C520 HydrophobicContact CB-CB 4.03Å; V499-C520 WeakPolarHBondContact CB-O 3.33Å; V499-C520 HydrophobicContact CG1-CB 4.48Å; V499-C520 PolarHBondContact N-O 3.15Å; V499-L523 HydrophobicContact CB-CD1 4.11Å; V499-L523 HydrophobicContact CG1-CD1 3.46Å; V499-L523 VanDerWaalsContact CG1-CD1 3.46Å; V499-L523 HydrophobicContact CG2-CB 4.07Å; V499-L523 HydrophobicContact CG2-CD1 3.5Å; V499-L523 HydrophobicContact CG2-CG 4.34Å; V499-P564 HydrophobicContact CG2-CB 4.14Å
500	S	90.6	Very high	82.9	Confident	39 Å²	39	47 Å²	47	27%	0.273	24%	0.241	S	C	.	.			trans	-63.8	145.8	176.4	63.3	0	0	0	0	110.2	D502 V503 C504	S500-D502 VanDerWaalsContact C-N 3.25Å; S500-D502 PolarHBondContact O-N 2.91Å; S500-V503 PolarHBondContact O-N 3.16Å; S500-V503 VanDerWaalsContact O-N 3.15Å; S500-V503 WeakPolarHBondContact OG-CB 3.3Å; S500-V503 WeakPolarHBondContact OG-CG2 3.45Å; S500-C504 PolarHBondContact O-N 3.21Å; S500-C504 VanDerWaalsContact O-N 3.12Å
501	H	89.9	Confident	83.7	Confident	40 Å²	40	46.2 Å²	46.2	19%	0.185	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-38.6	-177.7	-166.7	59.5	0	0	0	111.8	V503 C504 K505 T515 D516	H501-V503 VanDerWaalsContact C-N 3.32Å; H501-V503 PolarHBondContact O-N 2.71Å; H501-C504 WeakPolarHBondContact O-CB 2.98Å; H501-C504 PolarHBondContact O-N 2.71Å; H501-C504 VanDerWaalsContact O-N 3.08Å; H501-K505 WeakPolarHBondContact NE2-CD 3.48Å; H501-K505 PolarHBondContact O-N 3.2Å; H501-T515 PolarHBondContact CE1-O 2.93Å; H501-D516 IonicContact CD2-OD1 2.63Å; H501-D516 IonicContact NE2-OD1 2.77Å; H501-D516 PolarHBondContact NE2-OD1 2.84Å; H501-D516 VanDerWaalsContact NE2-OD1 3.1Å
502	D	90.4	Very high	84.1	Confident	126 Å²	126	53.1 Å²	53.1	67%	0.674	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-37.1	176.9	-51.7	-45.5	0	0	0	112.9	S500 R506	S500-D502 VanDerWaalsContact C-N 3.25Å; S500-D502 PolarHBondContact O-N 2.91Å; D502-R506 WeakPolarHBondContact O-CG 3.11Å; D502-R506 PolarHBondContact O-N 2.9Å
503	V	89.3	Confident	84.5	Confident	30 Å²	30	58.9 Å²	58.9	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-67.5	-41.2	174.8	169.1	0	0	0	0	110	V499 S500 H501 K505 R506 V509 L523	V499-V503 HydrophobicContact CG1-CB 3.88Å; V499-V503 HydrophobicContact CG1-CG1 3.68Å; S500-V503 PolarHBondContact O-N 3.16Å; S500-V503 VanDerWaalsContact O-N 3.15Å; S500-V503 WeakPolarHBondContact OG-CB 3.3Å; S500-V503 WeakPolarHBondContact OG-CG2 3.45Å; H501-V503 VanDerWaalsContact C-N 3.32Å; H501-V503 PolarHBondContact O-N 2.71Å; V503-K505 VanDerWaalsContact C-N 3.33Å; V503-K505 PolarHBondContact O-N 3.09Å; V503-R506 WeakPolarHBondContact O-CB 3.14Å; V503-R506 WeakPolarHBondContact O-CG 3.36Å; V503-R506 PolarHBondContact O-N 3.2Å; V503-V509 WeakPolarHBondContact O-CG2 3.42Å; V503-L523 HydrophobicContact CG1-CD1 4.19Å
504	C	88.3	Confident	85.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.2	-34.4	-179.5	-154.3	0	0	0	0	112.9	S500 H501 R506 Y510 V514 C520	S500-C504 PolarHBondContact O-N 3.21Å; S500-C504 VanDerWaalsContact O-N 3.12Å; H501-C504 WeakPolarHBondContact O-CB 2.98Å; H501-C504 PolarHBondContact O-N 2.71Å; H501-C504 VanDerWaalsContact O-N 3.08Å; C504-R506 VanDerWaalsContact C-N 3.28Å; C504-R506 PolarHBondContact O-N 3.44Å; C504-Y510 PolarHBondContact O-N 3.26Å; C504-V514 HydrophobicContact CB-CG1 4.36Å; C504-C520 HydrophobicContact CB-CB 3.72Å; C504-C520 WeakPolarHBondContact CB-SG 3.33Å; C504-C520 WeakPolarHBondContact SG-CB 3.41Å; C504-C520 CovalentContact SG-SG 2.01Å; C504-C520 PolarHBondContact SG-SG 3.01Å
505	K	91.6	Very high	86	Confident	82 Å²	82	59 Å²	59	36%	0.357	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.8	176.8	-71.8	-178.1	65	173.9	0	114.7	H501 V503 G511 V514	H501-K505 WeakPolarHBondContact NE2-CD 3.48Å; H501-K505 PolarHBondContact O-N 3.2Å; V503-K505 VanDerWaalsContact C-N 3.33Å; V503-K505 PolarHBondContact O-N 3.09Å; K505-G511 WeakPolarHBondContact CA-O 3.18Å; K505-G511 WeakPolarHBondContact O-CA 3.33Å; K505-V514 HydrophobicContact CG-CB 4.42Å
506	R	90.8	Very high	86.8	Confident	134 Å²	134	62.9 Å²	62.9	51%	0.506	32%	0.318	S	S	.	.	S	Bend	trans	-60	138.8	172.7	-72.3	179.3	-175.8	177.7	-0.9	109.4	D502 V503 C504 Q508 V509 Y510 G511	D502-R506 WeakPolarHBondContact O-CG 3.11Å; D502-R506 PolarHBondContact O-N 2.9Å; V503-R506 WeakPolarHBondContact O-CB 3.14Å; V503-R506 WeakPolarHBondContact O-CG 3.36Å; V503-R506 PolarHBondContact O-N 3.2Å; C504-R506 VanDerWaalsContact C-N 3.28Å; C504-R506 PolarHBondContact O-N 3.44Å; R506-Q508 PolarHBondContact O-N 2.87Å; R506-Q508 VanDerWaalsContact O-N 3.09Å; R506-V509 HydrophobicContact CB-CB 4.49Å; R506-V509 HydrophobicContact CB-CG2 4.1Å; R506-V509 PolarHBondContact O-N 2.95Å; R506-Y510 PolarHBondContact O-N 3.38Å; R506-G511 PolarHBondContact O-N 3.36Å
507	P	86.6	Confident	87.6	Confident	111 Å²	111	64.9 Å²	64.9	72%	0.721	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31	178.6	-27.4	34.9	0	0	0	113.5	V509	P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 2.85Å
508	Q	84	Confident	88.5	Confident	150 Å²	150	60 Å²	60	70%	0.701	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.1	179.4	-54.7	81.2	8.7	0	0	113.8	R506	R506-Q508 PolarHBondContact O-N 2.87Å; R506-Q508 VanDerWaalsContact O-N 3.09Å
509	V	84.9	Confident	88.8	Confident	15 Å²	15	60 Å²	60	9%	0.091	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-78.1	-179.1	-175.2	0	0	0	0	109.1	V503 R506 P507 K563 P564	V503-V509 WeakPolarHBondContact O-CG2 3.42Å; R506-V509 HydrophobicContact CB-CB 4.49Å; R506-V509 HydrophobicContact CB-CG2 4.1Å; R506-V509 PolarHBondContact O-N 2.95Å; P507-V509 VanDerWaalsContact C-N 3.29Å; P507-V509 PolarHBondContact O-N 2.85Å; V509-K563 VanDerWaalsContact O-CE 3.28Å; V509-K563 WeakPolarHBondContact O-CE 2.99Å; V509-P564 HydrophobicContact CG1-CG 4.16Å
510	Y	86.3	Confident	89	Confident	8 Å²	8	59.2 Å²	59.2	3%	0.031	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-4.4	175.4	-65.2	-60.8	0	0	0	114.9	C504 R506 N512 H513 V514 W554 E556 K563 P564 V566	C504-Y510 PolarHBondContact O-N 3.26Å; R506-Y510 PolarHBondContact O-N 3.38Å; Y510-N512 PolarHBondContact O-N 2.77Å; Y510-H513 WeakPolarHBondContact O-CB 3.12Å; Y510-H513 PolarHBondContact O-CD2 2.86Å; Y510-H513 VanDerWaalsContact O-CD2 3.24Å; Y510-H513 PolarHBondContact O-N 2.02Å; Y510-H513 VanDerWaalsContact O-N 3.09Å; Y510-V514 VanDerWaalsContact CB-CG2 3.5Å; Y510-V514 HydrophobicContact CD2-CG2 3.84Å; Y510-V514 HydrophobicContact CG-CG2 3.92Å; Y510-W554 AromaticContact CD1-CH2 3.79Å; Y510-W554 HydrophobicContact CD1-CH2 3.79Å; Y510-W554 AromaticContact CD1-CZ3 3.87Å; Y510-W554 HydrophobicContact CD1-CZ3 3.87Å; Y510-W554 HydrophobicContact CE1-CH2 4.08Å; Y510-W554 AromaticContact CE1-CZ3 3.73Å; Y510-W554 HydrophobicContact CE1-CZ3 3.73Å; Y510-W554 HydrophobicContact CG-CH2 4.09Å; Y510-E556 HydrophobicContact CE1-CB 4.36Å; Y510-E556 HydrophobicContact CE1-CG 4.09Å; Y510-K563 HydrophobicContact CE1-CD 3.97Å; Y510-P564 HydrophobicContact CE2-CG 3.96Å; Y510-P564 WeakPolarHBondContact CE2-O 2.95Å; Y510-P564 PolarHBondContact OH-O 3.25Å; Y510-V566 HydrophobicContact CD2-CG2 3.97Å; Y510-V566 HydrophobicContact CE2-CG2 3.58Å
511	G	87.5	Confident	88.8	Confident	10 Å²	10	57.4 Å²	57.4	10%	0.103	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	53.1	-128.5	178.4	0	0	0	0	0	113.2	K505 R506 H513	K505-G511 WeakPolarHBondContact CA-O 3.18Å; K505-G511 WeakPolarHBondContact O-CA 3.33Å; R506-G511 PolarHBondContact O-N 3.36Å; G511-H513 VanDerWaalsContact C-N 3.28Å; G511-H513 PolarHBondContact O-N 3.16Å
512	N	84	Confident	88	Confident	151 Å²	151	55.9 Å²	55.9	81%	0.807	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-81.4	-0.5	-177.4	-65.3	-21.5	0	0	0	114.3	Y510 V514	Y510-N512 PolarHBondContact O-N 2.77Å; N512-V514 VanDerWaalsContact C-N 3.26Å; N512-V514 PolarHBondContact O-N 3.03Å
513	H	84	Confident	86.5	Confident	141 Å²	141	52 Å²	52	65%	0.653	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-75.2	-16.4	178.7	-64.3	-77.8	0	0	0	113	Y510 G511 W554	Y510-H513 WeakPolarHBondContact O-CB 3.12Å; Y510-H513 PolarHBondContact O-CD2 2.86Å; Y510-H513 VanDerWaalsContact O-CD2 3.24Å; Y510-H513 PolarHBondContact O-N 2.02Å; Y510-H513 VanDerWaalsContact O-N 3.09Å; G511-H513 VanDerWaalsContact C-N 3.28Å; G511-H513 PolarHBondContact O-N 3.16Å; H513-W554 HydrophobicContact CB-CH2 4.25Å
514	V	88.9	Confident	84.7	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	30%	0.299	C	S	.	.	S	Bend	trans	-102.9	118.2	177.9	175	0	0	0	0	109.8	C504 K505 Y510 N512 M518 W554 V566	C504-V514 HydrophobicContact CB-CG1 4.36Å; K505-V514 HydrophobicContact CG-CB 4.42Å; Y510-V514 VanDerWaalsContact CB-CG2 3.5Å; Y510-V514 HydrophobicContact CD2-CG2 3.84Å; Y510-V514 HydrophobicContact CG-CG2 3.92Å; N512-V514 VanDerWaalsContact C-N 3.26Å; N512-V514 PolarHBondContact O-N 3.03Å; V514-M518 HydrophobicContact CG1-CB 4.01Å; V514-M518 HydrophobicContact CG1-SD 4.49Å; V514-W554 HydrophobicContact CG2-CH2 4.34Å; V514-W554 HydrophobicContact CG2-CZ2 4.15Å; V514-V566 HydrophobicContact CG2-CG1 4.43Å; V514-V566 HydrophobicContact CG2-CG2 4.25Å
515	T	91.3	Very high	82.8	Confident	45 Å²	45	59.2 Å²	59.2	28%	0.276	33%	0.329	S	S	.	.			trans	-98.3	168.3	-179.5	67.4	0	0	0	0	112.2	L433 H501 D517 M518	L433-T515 HydrophobicContact CD2-CG2 3.61Å; H501-T515 PolarHBondContact CE1-O 2.93Å; T515-D517 PolarHBondContact O-N 2.81Å; T515-D517 VanDerWaalsContact O-N 3.09Å; T515-M518 WeakPolarHBondContact O-CB 3.46Å; T515-M518 PolarHBondContact O-N 3.23Å
516	D	90.6	Very high	80.5	Confident	107 Å²	107	57.1 Å²	57.1	57%	0.572	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	180	-61.2	-23.6	0	0	0	113.2	H501 M518 R569 N572	H501-D516 IonicContact CD2-OD1 2.63Å; H501-D516 IonicContact NE2-OD1 2.77Å; H501-D516 PolarHBondContact NE2-OD1 2.84Å; H501-D516 VanDerWaalsContact NE2-OD1 3.1Å; D516-M518 PolarHBondContact O-N 3.36Å; D516-R569 PolarHBondContact O-NE 3.22Å; D516-N572 PolarHBondContact O-ND2 2.01Å
517	D	92.3	Very high	78.5	Confident	42 Å²	42	52.1 Å²	52.1	23%	0.225	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.9	174.1	-69.1	-39.4	0	0	0	113.9	H434 T515 R569 N572 Y573	H434-D517 IonicContact CE1-OD2 3.54Å; H434-D517 PolarHBondContact CE1-OD2 2.87Å; H434-D517 IonicContact ND1-OD2 2.73Å; T515-D517 PolarHBondContact O-N 2.81Å; T515-D517 VanDerWaalsContact O-N 3.09Å; D517-R569 VanDerWaalsContact O-CB 3.27Å; D517-R569 WeakPolarHBondContact O-CB 3.5Å; D517-R569 PolarHBondContact O-N 3.05Å; D517-N572 WeakPolarHBondContact CA-ND2 3.09Å; D517-N572 WeakPolarHBondContact OD1-CB 3.47Å; D517-N572 PolarHBondContact OD1-ND2 2.85Å; D517-Y573 HydrophobicContact CB-CE2 4.3Å; D517-Y573 WeakPolarHBondContact CB-OH 3.43Å
518	M	94.4	Very high	76.6	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159	177.7	-61.4	175.8	177.9	0	0	111.5	T432 L433 V514 T515 D516 W554 V566 Y567 R569	T432-M518 WeakPolarHBondContact O-CE 3.41Å; L433-M518 HydrophobicContact CD2-CE 3.83Å; V514-M518 HydrophobicContact CG1-CB 4.01Å; V514-M518 HydrophobicContact CG1-SD 4.49Å; T515-M518 WeakPolarHBondContact O-CB 3.46Å; T515-M518 PolarHBondContact O-N 3.23Å; D516-M518 PolarHBondContact O-N 3.36Å; M518-W554 HydrophobicContact SD-CZ2 4.3Å; M518-V566 HydrophobicContact CB-CG1 3.94Å; M518-V566 HydrophobicContact CG-CG1 4.15Å; M518-V566 HydrophobicContact SD-CG1 3.75Å; M518-Y567 CarbonylContact C-O 3.54Å; M518-Y567 WeakPolarHBondContact CA-O 3.41Å; M518-R569 PolarHBondContact O-NE 3.1Å; M518-R569 PolarHBondContact O-NH2 3.17Å
519	I	92.9	Very high	74.9	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.4	171.3	-170.9	169.6	0	0	0	109.4	L498 L538 Y549 Y567	L498-I519 HydrophobicContact CD1-CD1 4.27Å; L498-I519 HydrophobicContact CD2-CD1 3.84Å; L498-I519 HydrophobicContact CD2-CG1 4.47Å; I519-L538 HydrophobicContact CG2-CD2 4.25Å; I519-Y549 HydrophobicContact CD1-CD1 3.78Å; I519-Y549 HydrophobicContact CD1-CE1 3.2Å; I519-Y567 PolarHBondContact N-O 2.76Å; I519-Y567 WeakPolarHBondContact O-CD2 3.46Å; I519-Y567 PolarHBondContact O-N 3.09Å
520	C	90.3	Very high	73.4	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.6	-179.5	-51.5	0	0	0	0	109.9	V499 C504 P564 G565	V499-C520 HydrophobicContact CB-CB 4.03Å; V499-C520 WeakPolarHBondContact CB-O 3.33Å; V499-C520 HydrophobicContact CG1-CB 4.48Å; V499-C520 PolarHBondContact N-O 3.15Å; C504-C520 HydrophobicContact CB-CB 3.72Å; C504-C520 WeakPolarHBondContact CB-SG 3.33Å; C504-C520 WeakPolarHBondContact SG-CB 3.41Å; C504-C520 CovalentContact SG-SG 2.01Å; C504-C520 PolarHBondContact SG-SG 3.01Å; C520-P564 HydrophobicContact CB-CB 4.04Å; C520-P564 HydrophobicContact CB-CG 3.78Å; C520-G565 WeakPolarHBondContact CA-O 3.39Å
521	A	85.6	Confident	71.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.5	174.3	0	0	0	0	0	109.9	V496 R497 L498 L538 G565 Y567	V496-A521 HydrophobicContact CB-CB 4.23Å; V496-A521 HydrophobicContact CG2-CB 3.93Å; R497-A521 CarbonylContact O-C 3.53Å; R497-A521 WeakPolarHBondContact O-CA 3.07Å; R497-A521 WeakPolarHBondContact O-CB 3.34Å; L498-A521 HydrophobicContact CD2-CB 4.18Å; A521-L538 HydrophobicContact CB-CD1 4.39Å; A521-L538 HydrophobicContact CB-CD2 4.47Å; A521-G565 PolarHBondContact N-O 3.39Å; A521-G565 PolarHBondContact O-N 2.02Å; A521-G565 VanDerWaalsContact O-N 3.16Å; A521-Y567 HydrophobicContact CB-CD2 4.22Å; A521-Y567 HydrophobicContact CB-CE2 3.65Å
522	G	74.2	Confident	69.9	Low	8 Å²	8	46.6 Å²	46.6	8%	0.082	28%	0.277	C	S	.	.			trans	110.6	87.3	-177.5	0	0	0	0	0	113.3	R497 P564	R497-G522 PolarHBondContact O-N 3.4Å; G522-P564 WeakPolarHBondContact O-CA 3.5Å; G522-P564 WeakPolarHBondContact O-CB 2.84Å
523	L	59.7	Low	69.3	Low	45 Å²	45	40.4 Å²	40.4	24%	0.236	24%	0.244	C	C	.	.			trans	-145.8	150.1	164.7	-97.2	131.3	0	0	0	107.2	V499 V503 P564	V499-L523 HydrophobicContact CB-CD1 4.11Å; V499-L523 HydrophobicContact CG1-CD1 3.46Å; V499-L523 VanDerWaalsContact CG1-CD1 3.46Å; V499-L523 HydrophobicContact CG2-CB 4.07Å; V499-L523 HydrophobicContact CG2-CD1 3.5Å; V499-L523 HydrophobicContact CG2-CG 4.34Å; V503-L523 HydrophobicContact CG1-CD1 4.19Å; L523-P564 HydrophobicContact CD1-CB 3.92Å; L523-P564 HydrophobicContact CD1-CG 3.63Å
524	S	50.3	Low	69.5	Low	120 Å²	120	35 Å²	35	84%	0.839	22%	0.222	S	C	*	.	S	Bend	trans	78.2	54.9	178.5	-40.7	0	0	0	0	116.2
525	G	48.1	Very low	69.6	Low	62 Å²	62	35 Å²	35	64%	0.639	22%	0.222	S	C	*	.	S	Bend	trans	73.2	30.8	170.9	0	0	0	0	0	114.8
526	C	43.7	Very low	69.7	Low	37 Å²	37	32.8 Å²	32.8	25%	0.25	21%	0.209	C	C	.	.			trans	-109.5	151.9	171.7	-64.4	0	0	0	0	109.8
527	V	49.2	Very low	69.9	Low	30 Å²	30	27.7 Å²	27.7	18%	0.182	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-68.5	137.4	-176.9	-176.7	0	0	0	0	110.9	A494 V496	A494-V527 HydrophobicContact CB-CB 4.25Å; A494-V527 HydrophobicContact CB-CG1 4.43Å; V496-V527 WeakPolarHBondContact CG1-O 3.45Å
528	D	45.4	Very low	69.9	Low	16 Å²	16	25.7 Å²	25.7	9%	0.086	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-93.5	155.6	173.4	-158.9	9	0	0	0	111.7	G565	D528-G565 WeakPolarHBondContact OD1-CA 2.96Å; D528-G565 PolarHBondContact OD1-N 3.13Å; D528-G565 VanDerWaalsContact OD1-N 3.08Å
529	A	49	Very low	69.8	Low	18 Å²	18	25.8 Å²	25.8	15%	0.149	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-72.6	144	176.3	0	0	0	0	0	110.7	I475 I552	I475-A529 HydrophobicContact CD1-CB 3.96Å; A529-I552 HydrophobicContact CB-CD1 4.19Å; A529-I552 HydrophobicContact CB-CG1 4.41Å; A529-I552 HydrophobicContact CB-CG2 4.01Å
530	C	53.5	Low	69.5	Low	19 Å²	19	25.5 Å²	25.5	13%	0.128	17%	0.17	C	C	.	.			trans	-117.3	172.6	-173.4	-87.4	0	0	0	0	115.1	R480 G532 D533 C558	R480-C530 WeakPolarHBondContact O-CB 3.45Å; R480-C530 PolarHBondContact O-SG 3.14Å; C530-G532 PolarHBondContact O-N 3.04Å; C530-D533 PolarHBondContact N-OD2 2.83Å; C530-D533 WeakPolarHBondContact O-CB 3.16Å; C530-D533 PolarHBondContact O-N 2.94Å; C530-C558 WeakPolarHBondContact CA-SG 3.28Å; C530-C558 HydrophobicContact CB-CB 4.33Å; C530-C558 WeakPolarHBondContact CB-SG 3.03Å; C530-C558 WeakPolarHBondContact SG-CB 3.09Å; C530-C558 CovalentContact SG-SG 2.02Å; C530-C558 PolarHBondContact SG-SG 2.02Å
531	Q	46.6	Very low	69.2	Low	117 Å²	117	27.2 Å²	27.2	55%	0.547	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	124.2	173.2	-72.8	-168.5	-4.2	0	0	111.2	G479 R480	G479-Q531 CarbonylContact C-O 3.45Å; G479-Q531 WeakPolarHBondContact CA-O 3.47Å; R480-Q531 PolarHBondContact N-O 3.31Å
532	G	53.7	Low	68.9	Low	8 Å²	8	33.5 Å²	33.5	8%	0.082	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-5.7	-176.7	0	0	0	0	0	115.1	F369 C530	F369-G532 WeakPolarHBondContact CE1-O 3.4Å; C530-G532 PolarHBondContact O-N 3.04Å
533	D	72.4	Confident	68.9	Low	21 Å²	21	36.1 Å²	36.1	11%	0.112	24%	0.239	C	C	.	.			trans	-95.1	-4.6	170.3	-60.5	-39.9	0	0	0	113.2	G477 W478 G479 C530 G535 G536 I552	G477-D533 WeakPolarHBondContact CA-OD1 3.27Å; W478-D533 PolarHBondContact N-OD1 3.17Å; W478-D533 VanDerWaalsContact N-OD1 3.09Å; G479-D533 WeakPolarHBondContact CA-OD1 3.06Å; G479-D533 PolarHBondContact N-OD1 2.8Å; C530-D533 PolarHBondContact N-OD2 2.83Å; C530-D533 WeakPolarHBondContact O-CB 3.16Å; C530-D533 PolarHBondContact O-N 2.94Å; D533-G535 PolarHBondContact O-N 2.91Å; D533-G536 WeakPolarHBondContact O-CA 3.39Å; D533-G536 PolarHBondContact O-N 2.9Å; D533-I552 HydrophobicContact CB-CD1 3.85Å; D533-I552 HydrophobicContact CB-CG2 4.45Å; D533-I552 WeakPolarHBondContact O-CD1 3.34Å
534	S	87	Confident	69.5	Low	28 Å²	28	37.5 Å²	37.5	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	130.2	178.8	-71.7	0	0	0	0	112.1	C370 G371 H385 G536	C370-S534 WeakPolarHBondContact CB-O 3.27Å; G371-S534 WeakPolarHBondContact CA-O 3.5Å; G371-S534 PolarHBondContact N-O 3.22Å; H385-S534 VanDerWaalsContact NE2-CB 3.29Å; H385-S534 WeakPolarHBondContact NE2-CB 3.22Å; H385-S534 PolarHBondContact NE2-OG 3.12Å; H385-S534 VanDerWaalsContact NE2-OG 3.17Å; S534-G536 PolarHBondContact O-N 3.19Å
535	G	91.4	Very high	71.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-7	-175.8	0	0	0	0	0	115.3	G371 G372 S382 D533 I552	G371-G535 VanDerWaalsContact C-C 3.49Å; G371-G535 CarbonylContact C-O 3.57Å; G371-G535 CarbonylContact O-C 3.57Å; G371-G535 WeakPolarHBondContact O-CA 3.45Å; G372-G535 WeakPolarHBondContact CA-O 3.42Å; S382-G535 WeakPolarHBondContact OG-CA 3.49Å; D533-G535 PolarHBondContact O-N 2.91Å; G535-I552 PolarHBondContact N-O 3.25Å
536	G	92.5	Very high	73	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.			trans	-68.1	166.2	174.7	0	0	0	0	0	114	D533 S534 I552	D533-G536 WeakPolarHBondContact O-CA 3.39Å; D533-G536 PolarHBondContact O-N 2.9Å; S534-G536 PolarHBondContact O-N 3.19Å; G536-I552 PolarHBondContact O-N 2.82Å
537	P	94.8	Very high	75.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.2	-175.6	28.3	-32.9	0	0	0	113.7	M359 S373 I475 S476 L548	M359-P537 WeakPolarHBondContact SD-CD 3.46Å; M359-P537 HydrophobicContact SD-CG 3.51Å; M359-P537 VanDerWaalsContact SD-CG 3.51Å; S373-P537 WeakPolarHBondContact OG-CB 3.27Å; I475-P537 WeakPolarHBondContact CA-O 3.36Å; S476-P537 WeakPolarHBondContact OG-CG 3.49Å; P537-L548 HydrophobicContact CB-CD1 3.52Å
538	L	93	Very high	77.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99	148.6	179.5	69.1	0	0	0	108.3	C473 I475 V496 L498 I519 A521 Y549 G550 Y567	C473-L538 HydrophobicContact CB-CD1 3.78Å; C473-L538 HydrophobicContact CB-CG 4.27Å; I475-L538 HydrophobicContact CG2-CD1 3.64Å; V496-L538 HydrophobicContact CG2-CD1 3.44Å; V496-L538 VanDerWaalsContact CG2-CD1 3.44Å; L498-L538 HydrophobicContact CD2-CD2 3.99Å; I519-L538 HydrophobicContact CG2-CD2 4.25Å; A521-L538 HydrophobicContact CB-CD1 4.39Å; A521-L538 HydrophobicContact CB-CD2 4.47Å; L538-Y549 PolarHBondContact O-N 2.55Å; L538-G550 PolarHBondContact N-O 2.81Å; L538-G550 PolarHBondContact O-N 3.36Å; L538-Y567 HydrophobicContact CB-CD1 3.68Å; L538-Y567 HydrophobicContact CB-CE1 3.93Å; L538-Y567 HydrophobicContact CB-CG 4.43Å; L538-Y567 HydrophobicContact CD1-CD1 4.48Å; L538-Y567 HydrophobicContact CD1-CE1 4.06Å; L538-Y567 HydrophobicContact CD2-CD1 4.02Å; L538-Y567 HydrophobicContact CD2-CD2 4.3Å; L538-Y567 HydrophobicContact CD2-CE1 4.37Å; L538-Y567 HydrophobicContact CD2-CG 3.99Å; L538-Y567 HydrophobicContact CG-CD1 4.28Å; L538-Y567 HydrophobicContact CG-CE1 4.35Å
539	A	92.1	Very high	80.1	Confident	5 Å²	5	28.1 Å²	28.1	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.5	-175.3	0	0	0	0	0	111.5	W358 I458 C473 A474 F547	W358-A539 HydrophobicContact CZ2-CB 4.37Å; I458-A539 HydrophobicContact CD1-CB 3.74Å; C473-A539 WeakPolarHBondContact CA-O 3.37Å; C473-A539 WeakPolarHBondContact CB-O 3.45Å; A474-A539 PolarHBondContact N-O 3.21Å; A474-A539 PolarHBondContact O-N 3.27Å; A539-F547 CarbonylContact C-O 3.58Å; A539-F547 WeakPolarHBondContact CA-O 3.16Å
540	C	87.6	Confident	82.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.1	175.6	-57.5	0	0	0	0	109.5	F467 Y471 C473 F547 Y549	F467-C540 HydrophobicContact CD1-CB 4.17Å; F467-C540 HydrophobicContact CD2-CB 3.79Å; F467-C540 HydrophobicContact CE1-CB 3.96Å; F467-C540 HydrophobicContact CE2-CB 3.57Å; F467-C540 HydrophobicContact CG-CB 4.09Å; F467-C540 HydrophobicContact CZ-CB 3.66Å; Y471-C540 HydrophobicContact CE1-CB 4.42Å; C473-C540 HydrophobicContact CB-CB 4.09Å; C473-C540 WeakPolarHBondContact CB-SG 3.5Å; C473-C540 WeakPolarHBondContact SG-CB 3.43Å; C473-C540 CovalentContact SG-SG 2.04Å; C473-C540 PolarHBondContact SG-SG 3.26Å; C540-F547 PolarHBondContact N-O 3.09Å; C540-F547 PolarHBondContact O-N 2.89Å; C540-Y549 VanDerWaalsContact SG-CB 3.53Å
541	A	83.4	Confident	84.4	Confident	37 Å²	37	26.4 Å²	26.4	31%	0.306	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.6	-178.2	0	0	0	0	0	111.5	Y471 V545	Y471-A541 PolarHBondContact OH-O 3.33Å; A541-V545 CarbonylContact C-O 3.58Å; A541-V545 WeakPolarHBondContact CA-O 3.48Å
542	K	78.6	Confident	86.6	Confident	132 Å²	132	21.3 Å²	21.3	57%	0.574	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	108.1	166.3	-175.2	-178.9	-179.9	-179.4	0	107.8	M465 F467 V545 F547	M465-K542 HydrophobicContact CE-CD 4.45Å; F467-K542 HydrophobicContact CE1-CB 4.34Å; F467-K542 HydrophobicContact CZ-CB 4.49Å; K542-V545 PolarHBondContact N-O 3.39Å; K542-V545 PolarHBondContact O-N 2.84Å; K542-F547 HydrophobicContact CB-CD2 4.27Å; K542-F547 HydrophobicContact CB-CE2 3.94Å
543	G	73.9	Confident	88.3	Confident	64 Å²	64	21.3 Å²	21.3	66%	0.66	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	-131.6	-166.7	0	0	0	0	0	111.3	V545	G543-V545 VanDerWaalsContact C-N 3.33Å
544	D	72.3	Confident	88.7	Confident	73 Å²	73	23 Å²	23	39%	0.39	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.6	179.9	-81.9	-30.3	0	0	0	114.2	K335 L338	K335-D544 VanDerWaalsContact CE-OD2 3.27Å; K335-D544 WeakPolarHBondContact CE-OD2 3.32Å; K335-D544 IonicContact NZ-OD1 2.77Å; K335-D544 IonicContact NZ-OD2 3.39Å; K335-D544 PolarHBondContact NZ-OD2 3.43Å; L338-D544 VanDerWaalsContact CD2-OD1 3.27Å; L338-D544 WeakPolarHBondContact CD2-OD1 3.27Å
545	V	84.2	Confident	88	Confident	24 Å²	24	23.4 Å²	23.4	15%	0.145	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	-172.2	-175.8	0	0	0	0	110.5	P328 C459 A541 K542 G543 F547	P328-V545 HydrophobicContact CB-CG2 3.98Å; P328-V545 HydrophobicContact CG-CG2 4.06Å; C459-V545 HydrophobicContact CB-CG1 4.16Å; C459-V545 WeakPolarHBondContact SG-CG1 3.37Å; A541-V545 CarbonylContact C-O 3.58Å; A541-V545 WeakPolarHBondContact CA-O 3.48Å; K542-V545 PolarHBondContact N-O 3.39Å; K542-V545 PolarHBondContact O-N 2.84Å; G543-V545 VanDerWaalsContact C-N 3.33Å; V545-F547 HydrophobicContact CB-CE2 3.87Å; V545-F547 HydrophobicContact CB-CZ 4.17Å; V545-F547 HydrophobicContact CG1-CD2 4.34Å; V545-F547 HydrophobicContact CG1-CE1 4.3Å; V545-F547 HydrophobicContact CG1-CE2 3.69Å; V545-F547 HydrophobicContact CG1-CZ 3.68Å; V545-F547 WeakPolarHBondContact O-CD2 3.48Å; V545-F547 WeakPolarHBondContact O-CE2 3.29Å
546	S	89.1	Confident	86.6	Confident	8 Å²	8	27.3 Å²	27.3	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132	171.3	-68.7	0	0	0	0	111.5	G331 W358 I458 C459	G331-S546 VanDerWaalsContact CA-O 3.28Å; G331-S546 WeakPolarHBondContact CA-O 3.48Å; G331-S546 PolarHBondContact O-N 3.27Å; W358-S546 WeakPolarHBondContact CH2-OG 3.32Å; I458-S546 WeakPolarHBondContact CG1-O 3.41Å; C459-S546 PolarHBondContact N-O 3.4Å
547	F	94.9	Very high	84.8	Confident	28 Å²	28	28.5 Å²	28.5	12%	0.123	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.4	176	-63.6	-91	0	0	0	110.5	C459 M465 A539 C540 K542 V545 Y549	C459-F547 HydrophobicContact CB-CD1 3.62Å; C459-F547 HydrophobicContact CB-CE1 3.73Å; C459-F547 HydrophobicContact CB-CG 4.37Å; C459-F547 CarbonylContact O-C 3.15Å; C459-F547 VanDerWaalsContact O-CA 3.31Å; C459-F547 WeakPolarHBondContact O-CA 3.49Å; M465-F547 HydrophobicContact CE-CD1 4.07Å; M465-F547 HydrophobicContact CE-CD2 4.39Å; M465-F547 HydrophobicContact CE-CE1 3.81Å; M465-F547 HydrophobicContact CE-CE2 4.18Å; M465-F547 HydrophobicContact CE-CG 4.35Å; M465-F547 HydrophobicContact CE-CZ 3.87Å; M465-F547 HydrophobicContact SD-CB 4.28Å; M465-F547 HydrophobicContact SD-CD1 3.96Å; M465-F547 HydrophobicContact SD-CD2 4.09Å; M465-F547 HydrophobicContact SD-CE1 4.32Å; M465-F547 HydrophobicContact SD-CE2 4.46Å; M465-F547 HydrophobicContact SD-CG 3.83Å; A539-F547 CarbonylContact C-O 3.58Å; A539-F547 WeakPolarHBondContact CA-O 3.16Å; C540-F547 PolarHBondContact N-O 3.09Å; C540-F547 PolarHBondContact O-N 2.89Å; K542-F547 HydrophobicContact CB-CD2 4.27Å; K542-F547 HydrophobicContact CB-CE2 3.94Å; V545-F547 HydrophobicContact CB-CE2 3.87Å; V545-F547 HydrophobicContact CB-CZ 4.17Å; V545-F547 HydrophobicContact CG1-CD2 4.34Å; V545-F547 HydrophobicContact CG1-CE1 4.3Å; V545-F547 HydrophobicContact CG1-CE2 3.69Å; V545-F547 HydrophobicContact CG1-CZ 3.68Å; V545-F547 WeakPolarHBondContact O-CD2 3.48Å; V545-F547 WeakPolarHBondContact O-CE2 3.29Å; F547-Y549 PolarHBondContact O-N 2.73Å; F547-Y549 VanDerWaalsContact O-N 3.12Å
548	L	96.7	Very high	82.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	94.4	175.2	-175.3	61	0	0	0	109.3	I375 L381 I458 C459 P461 P537 G550 V570	I375-L548 HydrophobicContact CG2-CD2 3.74Å; L381-L548 HydrophobicContact CB-CD2 4.32Å; L381-L548 HydrophobicContact CD2-CD2 3.69Å; I458-L548 HydrophobicContact CD1-CB 3.93Å; I458-L548 HydrophobicContact CD1-CD1 4.39Å; I458-L548 HydrophobicContact CG1-CB 4.15Å; I458-L548 HydrophobicContact CG2-CB 3.78Å; I458-L548 HydrophobicContact CG2-CD2 4.09Å; I458-L548 HydrophobicContact CG2-CG 4.37Å; C459-L548 PolarHBondContact O-N 2.88Å; P461-L548 WeakPolarHBondContact CD-O 3.33Å; P537-L548 HydrophobicContact CB-CD1 3.52Å; L548-G550 WeakPolarHBondContact CD1-O 3.48Å; L548-V570 HydrophobicContact CG-CG2 4.16Å; L548-V570 WeakPolarHBondContact O-CB 3.45Å; L548-V570 WeakPolarHBondContact O-CG1 3.46Å
549	Y	95.7	Very high	81	Confident	8 Å²	8	34.9 Å²	34.9	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-28.9	-174	-165.7	-125.8	0	0	0	112.6	F467 L498 I519 L538 C540 F547 V570 V571	F467-Y549 HydrophobicContact CB-CE1 4.15Å; F467-Y549 AromaticContact CD2-CD1 4Å; F467-Y549 HydrophobicContact CD2-CD1 4Å; F467-Y549 AromaticContact CD2-CD2 3.67Å; F467-Y549 HydrophobicContact CD2-CD2 3.67Å; F467-Y549 AromaticContact CD2-CE1 4Å; F467-Y549 HydrophobicContact CD2-CE1 4Å; F467-Y549 AromaticContact CD2-CE2 3.72Å; F467-Y549 HydrophobicContact CD2-CE2 3.72Å; F467-Y549 AromaticContact CD2-CG 3.83Å; F467-Y549 HydrophobicContact CD2-CG 3.83Å; F467-Y549 AromaticContact CD2-CZ 3.88Å; F467-Y549 AromaticContact CE2-CD2 3.96Å; F467-Y549 HydrophobicContact CE2-CD2 3.96Å; F467-Y549 HydrophobicContact CE2-CE2 4.33Å; F467-Y549 HydrophobicContact CE2-CG 4.21Å; F467-Y549 PolarHBondContact N-OH 2.77Å; L498-Y549 HydrophobicContact CD1-CD1 4.12Å; L498-Y549 HydrophobicContact CD1-CE1 3.71Å; L498-Y549 HydrophobicContact CD2-CD1 4.37Å; L498-Y549 HydrophobicContact CD2-CE1 4.49Å; I519-Y549 HydrophobicContact CD1-CD1 3.78Å; I519-Y549 HydrophobicContact CD1-CE1 3.2Å; L538-Y549 PolarHBondContact O-N 2.55Å; C540-Y549 VanDerWaalsContact SG-CB 3.53Å; F547-Y549 PolarHBondContact O-N 2.73Å; F547-Y549 VanDerWaalsContact O-N 3.12Å; Y549-V570 PolarHBondContact O-N 3.33Å; Y549-V570 VanDerWaalsContact O-N 3.16Å; Y549-V571 HydrophobicContact CD2-CG2 3.89Å; Y549-V571 HydrophobicContact CE2-CG2 3.69Å
550	G	95.8	Very high	79.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	167	174.8	0	0	0	0	0	113.5	L538 L548 T568	L538-G550 PolarHBondContact N-O 2.81Å; L538-G550 PolarHBondContact O-N 3.36Å; L548-G550 WeakPolarHBondContact CD1-O 3.48Å; G550-T568 CarbonylContact C-O 3.54Å; G550-T568 WeakPolarHBondContact CA-O 3.1Å
551	I	96.3	Very high	78.4	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.5	173.7	-57	165.9	0	0	0	107.3	L381 A383 I436 S553 Y567 T568 V570	L381-I551 HydrophobicContact CD2-CD1 3.73Å; L381-I551 HydrophobicContact CD2-CG1 4.33Å; L381-I551 HydrophobicContact CG-CD1 3.77Å; A383-I551 HydrophobicContact CB-CG2 4.2Å; I436-I551 HydrophobicContact CB-CD1 4.19Å; I436-I551 HydrophobicContact CD1-CD1 3.68Å; I436-I551 HydrophobicContact CG1-CD1 3.57Å; I551-S553 PolarHBondContact O-N 3.15Å; I551-Y567 CarbonylContact O-C 3.53Å; I551-Y567 WeakPolarHBondContact O-CA 3.2Å; I551-Y567 WeakPolarHBondContact O-CB 3.47Å; I551-T568 PolarHBondContact N-O 3.33Å; I551-T568 VanDerWaalsContact N-O 3.09Å; I551-T568 PolarHBondContact O-N 2.92Å; I551-V570 HydrophobicContact CD1-CG2 4.09Å; I551-V570 HydrophobicContact CG1-CG2 3.77Å
552	I	92.5	Very high	77.7	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.056	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	118.6	177.5	-64.1	167.1	0	0	0	108.8	I475 A529 D533 G535 G536 Y567	I475-I552 HydrophobicContact CB-CD1 4.43Å; A529-I552 HydrophobicContact CB-CD1 4.19Å; A529-I552 HydrophobicContact CB-CG1 4.41Å; A529-I552 HydrophobicContact CB-CG2 4.01Å; D533-I552 HydrophobicContact CB-CD1 3.85Å; D533-I552 HydrophobicContact CB-CG2 4.45Å; D533-I552 WeakPolarHBondContact O-CD1 3.34Å; G535-I552 PolarHBondContact N-O 3.25Å; G536-I552 PolarHBondContact O-N 2.82Å; I552-Y567 HydrophobicContact CB-CD1 4.39Å; I552-Y567 HydrophobicContact CB-CE1 4.43Å; I552-Y567 HydrophobicContact CG1-CD1 3.79Å; I552-Y567 HydrophobicContact CG1-CE1 3.51Å
553	S	89.3	Confident	77.6	Confident	7 Å²	7	41.4 Å²	41.4	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-65.8	-172.1	-179.3	0	0	0	0	111.7	H385 D435 I551 V566	H385-S553 PolarHBondContact CE1-O 2.84Å; D435-S553 WeakPolarHBondContact CB-OG 3.18Å; D435-S553 WeakPolarHBondContact OD2-CB 3.45Å; D435-S553 PolarHBondContact OD2-OG 3.19Å; I551-S553 PolarHBondContact O-N 3.15Å; S553-V566 PolarHBondContact N-O 3.37Å
554	W	82	Confident	78.1	Confident	58 Å²	58	38.3 Å²	38.3	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	169.8	-178	65.1	-85.1	0	0	0	112.6	T432 Y510 H513 V514 M518 V566	T432-W554 HydrophobicContact CG2-CB 4.24Å; T432-W554 HydrophobicContact CG2-CD2 4.16Å; T432-W554 HydrophobicContact CG2-CG 3.73Å; Y510-W554 AromaticContact CD1-CH2 3.79Å; Y510-W554 HydrophobicContact CD1-CH2 3.79Å; Y510-W554 AromaticContact CD1-CZ3 3.87Å; Y510-W554 HydrophobicContact CD1-CZ3 3.87Å; Y510-W554 HydrophobicContact CE1-CH2 4.08Å; Y510-W554 AromaticContact CE1-CZ3 3.73Å; Y510-W554 HydrophobicContact CE1-CZ3 3.73Å; Y510-W554 HydrophobicContact CG-CH2 4.09Å; H513-W554 HydrophobicContact CB-CH2 4.25Å; V514-W554 HydrophobicContact CG2-CH2 4.34Å; V514-W554 HydrophobicContact CG2-CZ2 4.15Å; M518-W554 HydrophobicContact SD-CZ2 4.3Å; W554-V566 HydrophobicContact CD2-CB 4.03Å; W554-V566 HydrophobicContact CD2-CG1 4.49Å; W554-V566 HydrophobicContact CD2-CG2 4.27Å; W554-V566 HydrophobicContact CE3-CG2 4.39Å; W554-V566 HydrophobicContact CG-CB 4.36Å; W554-V566 HydrophobicContact CH2-CG2 3.97Å; W554-V566 HydrophobicContact CZ2-CB 4.04Å; W554-V566 HydrophobicContact CZ2-CG1 3.89Å; W554-V566 HydrophobicContact CZ2-CG2 3.83Å; W554-V566 HydrophobicContact CZ3-CG2 4.24Å; W554-V566 PolarHBondContact N-O 3.36Å; W554-V566 WeakPolarHBondContact O-CA 3.2Å; W554-V566 WeakPolarHBondContact O-CB 3.34Å; W554-V566 PolarHBondContact O-N 2.85Å; W554-V566 VanDerWaalsContact O-O 3.13Å
555	G	72.4	Confident	78.8	Confident	36 Å²	36	35 Å²	35	37%	0.371	21%	0.209	S	C	.	.			trans	-170.4	161.3	176.1	0	0	0	0	0	110.7	G557	G555-G557 PolarHBondContact O-N 3.27Å
556	E	61.3	Low	79.1	Confident	82 Å²	82	34 Å²	34	38%	0.383	20%	0.203	S	C	.	.	S	Bend	trans	-89.2	79.7	175.1	-83.1	-173.7	-130.6	0	0	109.5	Y510 Q560 K563	Y510-E556 HydrophobicContact CE1-CB 4.36Å; Y510-E556 HydrophobicContact CE1-CG 4.09Å; E556-Q560 WeakPolarHBondContact O-CG 3.33Å; E556-Q560 PolarHBondContact O-NE2 2.86Å; E556-Q560 PolarHBondContact O-OE1 3.05Å; E556-K563 HydrophobicContact CB-CD 3.98Å; E556-K563 HydrophobicContact CG-CD 4.45Å; E556-K563 IonicContact OE1-NZ 3.72Å; E556-K563 PolarHBondContact OE1-NZ 2.77Å; E556-K563 IonicContact OE2-NZ 3.39Å; E556-K563 PolarHBondContact OE2-NZ 2.93Å
557	G	54	Low	79.3	Confident	25 Å²	25	33.7 Å²	33.7	26%	0.258	20%	0.201	S	C	.	.	S	Bend	trans	70.3	165.6	-176.2	0	0	0	0	0	113.1	G555	G555-G557 PolarHBondContact O-N 3.27Å
558	C	55.7	Low	79.3	Confident	28 Å²	28	32.5 Å²	32.5	19%	0.189	20%	0.196	C	C	.	.	S	Bend	trans	-83.8	139.9	169.9	-50.1	0	0	0	0	110.1	C530 Q560	C530-C558 WeakPolarHBondContact CA-SG 3.28Å; C530-C558 HydrophobicContact CB-CB 4.33Å; C530-C558 WeakPolarHBondContact CB-SG 3.03Å; C530-C558 WeakPolarHBondContact SG-CB 3.09Å; C530-C558 CovalentContact SG-SG 2.02Å; C530-C558 PolarHBondContact SG-SG 2.02Å; C558-Q560 VanDerWaalsContact C-N 3.33Å; C558-Q560 PolarHBondContact O-N 3.09Å
559	D	54.2	Low	79.3	Confident	105 Å²	105	34.5 Å²	34.5	56%	0.561	20%	0.203	S	C	*	.	S	Bend	trans	70.4	23	167.2	-150	28	0	0	0	114.3	P561	D559-P561 WeakPolarHBondContact O-CD 3.46Å
560	Q	60.3	Low	79.3	Confident	88 Å²	88	34.1 Å²	34.1	41%	0.411	20%	0.202	S	C	.	.			trans	-72.3	120.7	170.7	-77.2	-160.9	11.5	0	0	111	E556 C558 G562 K563	E556-Q560 WeakPolarHBondContact O-CG 3.33Å; E556-Q560 PolarHBondContact O-NE2 2.86Å; E556-Q560 PolarHBondContact O-OE1 3.05Å; C558-Q560 VanDerWaalsContact C-N 3.33Å; C558-Q560 PolarHBondContact O-N 3.09Å; Q560-G562 PolarHBondContact O-N 3.17Å; Q560-G562 VanDerWaalsContact O-N 3.13Å; Q560-K563 HydrophobicContact CB-CB 4.27Å; Q560-K563 PolarHBondContact O-N 3.21Å
561	P	63.3	Low	79.3	Confident	132 Å²	132	35.1 Å²	35.1	86%	0.857	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	121.2	179.6	-24.1	34.4	0	0	0	111.8	D559	D559-P561 WeakPolarHBondContact O-CD 3.46Å
562	G	69.3	Low	79.2	Confident	42 Å²	42	38.6 Å²	38.6	43%	0.433	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	-2.1	174.5	0	0	0	0	0	115.7	Q560	Q560-G562 PolarHBondContact O-N 3.17Å; Q560-G562 VanDerWaalsContact O-N 3.13Å
563	K	77.1	Confident	79.4	Confident	49 Å²	49	38.4 Å²	38.4	21%	0.213	23%	0.225	C	C	.	.			trans	-112.5	109.3	175.2	-70.8	-153.9	173.6	-171.1	0	111.1	V509 Y510 E556 Q560	V509-K563 VanDerWaalsContact O-CE 3.28Å; V509-K563 WeakPolarHBondContact O-CE 2.99Å; Y510-K563 HydrophobicContact CE1-CD 3.97Å; E556-K563 HydrophobicContact CB-CD 3.98Å; E556-K563 HydrophobicContact CG-CD 4.45Å; E556-K563 IonicContact OE1-NZ 3.72Å; E556-K563 PolarHBondContact OE1-NZ 2.77Å; E556-K563 IonicContact OE2-NZ 3.39Å; E556-K563 PolarHBondContact OE2-NZ 2.93Å; Q560-K563 HydrophobicContact CB-CB 4.27Å; Q560-K563 PolarHBondContact O-N 3.21Å
564	P	83.4	Confident	79.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.224	C	C	.	.			trans	-76	150.3	178.2	26.8	-30.4	0	0	0	112.9	V499 V509 Y510 C520 G522 L523	V499-P564 HydrophobicContact CG2-CB 4.14Å; V509-P564 HydrophobicContact CG1-CG 4.16Å; Y510-P564 HydrophobicContact CE2-CG 3.96Å; Y510-P564 WeakPolarHBondContact CE2-O 2.95Å; Y510-P564 PolarHBondContact OH-O 3.25Å; C520-P564 HydrophobicContact CB-CB 4.04Å; C520-P564 HydrophobicContact CB-CG 3.78Å; G522-P564 WeakPolarHBondContact O-CA 3.5Å; G522-P564 WeakPolarHBondContact O-CB 2.84Å; L523-P564 HydrophobicContact CD1-CB 3.92Å; L523-P564 HydrophobicContact CD1-CG 3.63Å
565	G	86.4	Confident	80.3	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	144.7	164	0	0	0	0	0	112.7	C520 A521 D528 Y567	C520-G565 WeakPolarHBondContact CA-O 3.39Å; A521-G565 PolarHBondContact N-O 3.39Å; A521-G565 PolarHBondContact O-N 2.02Å; A521-G565 VanDerWaalsContact O-N 3.16Å; D528-G565 WeakPolarHBondContact OD1-CA 2.96Å; D528-G565 PolarHBondContact OD1-N 3.13Å; D528-G565 VanDerWaalsContact OD1-N 3.08Å; G565-Y567 VanDerWaalsContact C-CE2 3.47Å; G565-Y567 WeakPolarHBondContact O-CD2 3.18Å; G565-Y567 WeakPolarHBondContact O-CE2 3.37Å
566	V	90.6	Very high	81.4	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.7	-179.5	-173.1	0	0	0	0	110.2	Y510 V514 M518 S553 W554	Y510-V566 HydrophobicContact CD2-CG2 3.97Å; Y510-V566 HydrophobicContact CE2-CG2 3.58Å; V514-V566 HydrophobicContact CG2-CG1 4.43Å; V514-V566 HydrophobicContact CG2-CG2 4.25Å; M518-V566 HydrophobicContact CB-CG1 3.94Å; M518-V566 HydrophobicContact CG-CG1 4.15Å; M518-V566 HydrophobicContact SD-CG1 3.75Å; S553-V566 PolarHBondContact N-O 3.37Å; W554-V566 HydrophobicContact CD2-CB 4.03Å; W554-V566 HydrophobicContact CD2-CG1 4.49Å; W554-V566 HydrophobicContact CD2-CG2 4.27Å; W554-V566 HydrophobicContact CE3-CG2 4.39Å; W554-V566 HydrophobicContact CG-CB 4.36Å; W554-V566 HydrophobicContact CH2-CG2 3.97Å; W554-V566 HydrophobicContact CZ2-CB 4.04Å; W554-V566 HydrophobicContact CZ2-CG1 3.89Å; W554-V566 HydrophobicContact CZ2-CG2 3.83Å; W554-V566 HydrophobicContact CZ3-CG2 4.24Å; W554-V566 PolarHBondContact N-O 3.36Å; W554-V566 WeakPolarHBondContact O-CA 3.2Å; W554-V566 WeakPolarHBondContact O-CB 3.34Å; W554-V566 PolarHBondContact O-N 2.85Å; W554-V566 VanDerWaalsContact O-O 3.13Å
567	Y	93.4	Very high	83	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.7	-172.3	-54.1	-108.5	0	0	0	110	I475 M518 I519 A521 L538 I551 I552 G565 R569	I475-Y567 HydrophobicContact CG2-CE1 3.81Å; M518-Y567 CarbonylContact C-O 3.54Å; M518-Y567 WeakPolarHBondContact CA-O 3.41Å; I519-Y567 PolarHBondContact N-O 2.76Å; I519-Y567 WeakPolarHBondContact O-CD2 3.46Å; I519-Y567 PolarHBondContact O-N 3.09Å; A521-Y567 HydrophobicContact CB-CD2 4.22Å; A521-Y567 HydrophobicContact CB-CE2 3.65Å; L538-Y567 HydrophobicContact CB-CD1 3.68Å; L538-Y567 HydrophobicContact CB-CE1 3.93Å; L538-Y567 HydrophobicContact CB-CG 4.43Å; L538-Y567 HydrophobicContact CD1-CD1 4.48Å; L538-Y567 HydrophobicContact CD1-CE1 4.06Å; L538-Y567 HydrophobicContact CD2-CD1 4.02Å; L538-Y567 HydrophobicContact CD2-CD2 4.3Å; L538-Y567 HydrophobicContact CD2-CE1 4.37Å; L538-Y567 HydrophobicContact CD2-CG 3.99Å; L538-Y567 HydrophobicContact CG-CD1 4.28Å; L538-Y567 HydrophobicContact CG-CE1 4.35Å; I551-Y567 CarbonylContact O-C 3.53Å; I551-Y567 WeakPolarHBondContact O-CA 3.2Å; I551-Y567 WeakPolarHBondContact O-CB 3.47Å; I552-Y567 HydrophobicContact CB-CD1 4.39Å; I552-Y567 HydrophobicContact CB-CE1 4.43Å; I552-Y567 HydrophobicContact CG1-CD1 3.79Å; I552-Y567 HydrophobicContact CG1-CE1 3.51Å; G565-Y567 VanDerWaalsContact C-CE2 3.47Å; G565-Y567 WeakPolarHBondContact O-CD2 3.18Å; G565-Y567 WeakPolarHBondContact O-CE2 3.37Å; Y567-R569 PolarHBondContact O-N 3.05Å
568	T	95.9	Very high	85	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.1	171.9	-55.2	0	0	0	0	109.2	D435 I436 G550 I551 V570 Y573	D435-T568 PolarHBondContact O-OG1 3.11Å; I436-T568 HydrophobicContact CB-CG2 4.3Å; G550-T568 CarbonylContact C-O 3.54Å; G550-T568 WeakPolarHBondContact CA-O 3.1Å; I551-T568 PolarHBondContact N-O 3.33Å; I551-T568 VanDerWaalsContact N-O 3.09Å; I551-T568 PolarHBondContact O-N 2.92Å; T568-V570 PolarHBondContact O-N 2.93Å; T568-Y573 HydrophobicContact CG2-CD2 4.03Å; T568-Y573 HydrophobicContact CG2-CE2 3.46Å; T568-Y573 VanDerWaalsContact CG2-CE2 3.46Å
569	R	95.5	Very high	86.8	Confident	43 Å²	43	40 Å²	40	16%	0.162	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	101	-176.7	-177.3	-173.5	-63.6	-84.3	-4.2	111.3	D516 D517 M518 Y567 V571 N572 Y573	D516-R569 PolarHBondContact O-NE 3.22Å; D517-R569 VanDerWaalsContact O-CB 3.27Å; D517-R569 WeakPolarHBondContact O-CB 3.5Å; D517-R569 PolarHBondContact O-N 3.05Å; M518-R569 PolarHBondContact O-NE 3.1Å; M518-R569 PolarHBondContact O-NH2 3.17Å; Y567-R569 PolarHBondContact O-N 3.05Å; R569-V571 VanDerWaalsContact C-N 3.26Å; R569-V571 HydrophobicContact CG-CB 4.47Å; R569-V571 PolarHBondContact O-N 3.37Å; R569-V571 VanDerWaalsContact O-N 3.15Å; R569-N572 VanDerWaalsContact CD-OD1 3.3Å; R569-N572 WeakPolarHBondContact CD-OD1 3.04Å; R569-N572 PolarHBondContact O-N 3.15Å; R569-N572 VanDerWaalsContact O-N 3.13Å; R569-Y573 VanDerWaalsContact O-CD2 3.26Å; R569-Y573 WeakPolarHBondContact O-CD2 3.19Å
570	V	96.7	Very high	88.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-58.9	-34.1	-172.2	173.2	0	0	0	0	113.4	L381 L460 P461 L548 Y549 I551 T568 N572 Y573 L574 I577	L381-V570 HydrophobicContact CD2-CG1 4.4Å; L381-V570 HydrophobicContact CD2-CG2 4.38Å; L460-V570 HydrophobicContact CD2-CG1 4.05Å; P461-V570 HydrophobicContact CG-CG1 4.38Å; L548-V570 HydrophobicContact CG-CG2 4.16Å; L548-V570 WeakPolarHBondContact O-CB 3.45Å; L548-V570 WeakPolarHBondContact O-CG1 3.46Å; Y549-V570 PolarHBondContact O-N 3.33Å; Y549-V570 VanDerWaalsContact O-N 3.16Å; I551-V570 HydrophobicContact CD1-CG2 4.09Å; I551-V570 HydrophobicContact CG1-CG2 3.77Å; T568-V570 PolarHBondContact O-N 2.93Å; V570-N572 PolarHBondContact O-N 3.08Å; V570-N572 VanDerWaalsContact O-N 3.17Å; V570-Y573 PolarHBondContact O-N 2.91Å; V570-L574 HydrophobicContact CG1-CD2 4.41Å; V570-L574 PolarHBondContact O-N 2.87Å; V570-I577 HydrophobicContact CG1-CD1 4.19Å
571	V	95	Very high	90.1	Very high	20 Å²	20	33.6 Å²	33.6	12%	0.121	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-55.1	-35.5	-180	-178.4	0	0	0	0	112.2	P461 Y549 R569 Y573 L574	P461-V571 HydrophobicContact CB-CG2 4Å; P461-V571 HydrophobicContact CG-CG2 3.59Å; Y549-V571 HydrophobicContact CD2-CG2 3.89Å; Y549-V571 HydrophobicContact CE2-CG2 3.69Å; R569-V571 VanDerWaalsContact C-N 3.26Å; R569-V571 HydrophobicContact CG-CB 4.47Å; R569-V571 PolarHBondContact O-N 3.37Å; R569-V571 VanDerWaalsContact O-N 3.15Å; V571-Y573 PolarHBondContact O-N 3.12Å; V571-L574 HydrophobicContact CG1-CD1 4.24Å; V571-L574 WeakPolarHBondContact O-CG 3.13Å
572	N	94.9	Very high	90.9	Very high	75 Å²	75	35 Å²	35	40%	0.401	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-74.6	-14.3	-178.3	-66.6	12.1	0	0	0	112.7	D516 D517 R569 V570	D516-N572 PolarHBondContact O-ND2 2.01Å; D517-N572 WeakPolarHBondContact CA-ND2 3.09Å; D517-N572 WeakPolarHBondContact OD1-CB 3.47Å; D517-N572 PolarHBondContact OD1-ND2 2.85Å; R569-N572 VanDerWaalsContact CD-OD1 3.3Å; R569-N572 WeakPolarHBondContact CD-OD1 3.04Å; R569-N572 PolarHBondContact O-N 3.15Å; R569-N572 VanDerWaalsContact O-N 3.13Å; V570-N572 PolarHBondContact O-N 3.08Å; V570-N572 VanDerWaalsContact O-N 3.17Å
573	Y	96.3	Very high	90.4	Very high	6 Å²	6	42 Å²	42	2%	0.024	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-108.7	3.5	-176.6	-61.7	-86.7	0	0	0	113.5	H423 H434 I436 D517 T568 R569 V570 V571 D575 W576 I577	H423-Y573 AromaticContact CD2-CD1 3.66Å; H423-Y573 AromaticContact CD2-CE1 3.96Å; H423-Y573 AromaticContact NE2-CD1 3.86Å; H434-Y573 WeakPolarHBondContact CA-OH 3.16Å; H434-Y573 HydrophobicContact CB-CE1 4.25Å; H434-Y573 AromaticContact ND1-CE1 3.64Å; H434-Y573 AromaticContact ND1-CZ 3.65Å; H434-Y573 PolarHBondContact ND1-OH 3.16Å; I436-Y573 HydrophobicContact CD1-CD2 4.39Å; I436-Y573 HydrophobicContact CD1-CG 4.03Å; I436-Y573 HydrophobicContact CG2-CD1 3.77Å; I436-Y573 HydrophobicContact CG2-CE1 3.9Å; I436-Y573 HydrophobicContact CG2-CG 4.18Å; D517-Y573 HydrophobicContact CB-CE2 4.3Å; D517-Y573 WeakPolarHBondContact CB-OH 3.43Å; T568-Y573 HydrophobicContact CG2-CD2 4.03Å; T568-Y573 HydrophobicContact CG2-CE2 3.46Å; T568-Y573 VanDerWaalsContact CG2-CE2 3.46Å; R569-Y573 VanDerWaalsContact O-CD2 3.26Å; R569-Y573 WeakPolarHBondContact O-CD2 3.19Å; V570-Y573 PolarHBondContact O-N 2.91Å; V571-Y573 PolarHBondContact O-N 3.12Å; Y573-D575 VanDerWaalsContact C-N 3.32Å; Y573-D575 PolarHBondContact O-N 3.41Å; Y573-W576 PolarHBondContact O-N 3.45Å; Y573-W576 VanDerWaalsContact O-N 3.14Å; Y573-I577 VanDerWaalsContact O-CG1 3.31Å; Y573-I577 WeakPolarHBondContact O-CG1 3.02Å; Y573-I577 PolarHBondContact O-N 3.08Å
574	L	95.5	Very high	89.2	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-41	-175.5	-68.4	171.9	0	0	0	113.2	L460 P461 K463 V570 V571 W576 I577 H578	L460-L574 HydrophobicContact CB-CD2 4.03Å; P461-L574 HydrophobicContact CG-CD2 4.44Å; P461-L574 WeakPolarHBondContact O-CD1 3.43Å; K463-L574 HydrophobicContact CG-CD1 3.97Å; V570-L574 HydrophobicContact CG1-CD2 4.41Å; V570-L574 PolarHBondContact O-N 2.87Å; V571-L574 HydrophobicContact CG1-CD1 4.24Å; V571-L574 WeakPolarHBondContact O-CG 3.13Å; L574-W576 PolarHBondContact O-N 3.09Å; L574-I577 PolarHBondContact O-N 3.23Å; L574-H578 WeakPolarHBondContact O-CB 3.38Å; L574-H578 PolarHBondContact O-CD2 3.42Å; L574-H578 PolarHBondContact O-N 3.4Å
575	D	94.6	Very high	87.3	Confident	100 Å²	100	52 Å²	52	54%	0.535	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-44.7	178.2	-71.1	-26	0	0	0	111.6	K463 Y573 H578 S579	K463-D575 VanDerWaalsContact CE-CG 3.47Å; K463-D575 WeakPolarHBondContact CE-OD1 3.09Å; K463-D575 WeakPolarHBondContact CE-OD2 3.47Å; K463-D575 IonicContact NZ-OD1 3.17Å; K463-D575 PolarHBondContact NZ-OD1 3Å; K463-D575 IonicContact NZ-OD2 2.71Å; K463-D575 PolarHBondContact NZ-OD2 3.29Å; Y573-D575 VanDerWaalsContact C-N 3.32Å; Y573-D575 PolarHBondContact O-N 3.41Å; D575-H578 PolarHBondContact O-N 3.46Å; D575-S579 VanDerWaalsContact O-CB 3.29Å; D575-S579 WeakPolarHBondContact O-CB 3.47Å; D575-S579 PolarHBondContact O-N 3.27Å; D575-S579 PolarHBondContact O-OG 3.14Å
576	W	95.8	Very high	84.8	Confident	27 Å²	27	55 Å²	55	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-47.7	175.9	171.1	78.9	0	0	0	110.7	L381 V421 H423 I436 L438 Y573 L574 H578 S579 V580	L381-W576 HydrophobicContact CD1-CZ3 4.5Å; V421-W576 HydrophobicContact CG1-CZ2 4.27Å; V421-W576 WeakPolarHBondContact O-CZ2 3.42Å; H423-W576 HydrophobicContact CB-CZ2 4.32Å; H423-W576 AromaticContact CD2-CD1 3.73Å; H423-W576 AromaticContact CD2-CD2 3.62Å; H423-W576 AromaticContact CD2-CE2 3.94Å; H423-W576 AromaticContact CD2-CG 3.51Å; H423-W576 AromaticContact CD2-NE1 3.96Å; I436-W576 HydrophobicContact CD1-CE3 4.37Å; I436-W576 HydrophobicContact CD1-CZ3 3.83Å; I436-W576 HydrophobicContact CG1-CH2 4.44Å; I436-W576 HydrophobicContact CG1-CZ3 3.85Å; I436-W576 HydrophobicContact CG2-CH2 4.48Å; I436-W576 HydrophobicContact CG2-CZ3 4.08Å; L438-W576 HydrophobicContact CB-CH2 4Å; L438-W576 HydrophobicContact CD1-CE3 4.38Å; L438-W576 HydrophobicContact CD1-CH2 3.88Å; L438-W576 HydrophobicContact CD1-CZ2 4.33Å; L438-W576 HydrophobicContact CD1-CZ3 3.89Å; L438-W576 HydrophobicContact CG-CH2 3.78Å; L438-W576 HydrophobicContact CG-CZ3 3.9Å; Y573-W576 PolarHBondContact O-N 3.45Å; Y573-W576 VanDerWaalsContact O-N 3.14Å; L574-W576 PolarHBondContact O-N 3.09Å; W576-H578 VanDerWaalsContact C-N 3.35Å; W576-H578 PolarHBondContact O-N 3.27Å; W576-S579 PolarHBondContact O-N 3.38Å; W576-S579 VanDerWaalsContact O-N 3.13Å; W576-S579 PolarHBondContact O-OG 3.25Å; W576-V580 HydrophobicContact CD2-CG2 4.39Å; W576-V580 HydrophobicContact CZ2-CG2 4.28Å; W576-V580 WeakPolarHBondContact O-CG2 3.36Å; W576-V580 PolarHBondContact O-N 3.13Å
577	I	96	Very high	81.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.2	-51.2	178.6	-68.2	164.4	0	0	0	110.5	I375 L381 I436 L438 L460 V570 Y573 L574 S579 V580 I581	I375-I577 HydrophobicContact CD1-CG2 4.03Å; L381-I577 HydrophobicContact CD1-CD1 4.43Å; L381-I577 HydrophobicContact CD1-CG1 4.44Å; L381-I577 HydrophobicContact CD2-CD1 4.06Å; I436-I577 HydrophobicContact CD1-CD1 4.3Å; L438-I577 HydrophobicContact CD1-CB 4.45Å; L438-I577 HydrophobicContact CD1-CG1 4.44Å; L438-I577 HydrophobicContact CD1-CG2 4.4Å; L460-I577 HydrophobicContact CD1-CG2 3.81Å; L460-I577 HydrophobicContact CD2-CD1 4.42Å; V570-I577 HydrophobicContact CG1-CD1 4.19Å; Y573-I577 VanDerWaalsContact O-CG1 3.31Å; Y573-I577 WeakPolarHBondContact O-CG1 3.02Å; Y573-I577 PolarHBondContact O-N 3.08Å; L574-I577 PolarHBondContact O-N 3.23Å; I577-S579 VanDerWaalsContact C-N 3.35Å; I577-S579 PolarHBondContact O-N 3.24Å; I577-V580 PolarHBondContact O-N 3.38Å; I577-I581 HydrophobicContact CG2-CD1 3.66Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.43Å; I577-I581 PolarHBondContact O-N 3.27Å
578	H	94.2	Very high	78.9	Confident	86 Å²	86	74.5 Å²	74.5	40%	0.398	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-37.6	179.4	-69.9	-47.6	0	0	0	112.7	L574 D575 W576 V580 K582	L574-H578 WeakPolarHBondContact O-CB 3.38Å; L574-H578 PolarHBondContact O-CD2 3.42Å; L574-H578 PolarHBondContact O-N 3.4Å; D575-H578 PolarHBondContact O-N 3.46Å; W576-H578 VanDerWaalsContact C-N 3.35Å; W576-H578 PolarHBondContact O-N 3.27Å; H578-V580 VanDerWaalsContact C-N 3.35Å; H578-V580 PolarHBondContact O-N 3.21Å; H578-K582 WeakPolarHBondContact O-CB 3.34Å; H578-K582 WeakPolarHBondContact O-CG 3.37Å; H578-K582 PolarHBondContact O-N 2.95Å
579	S	93.9	Very high	78.1	Confident	52 Å²	52	78.1 Å²	78.1	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178	79	0	0	0	0	112.3	D575 W576 I577 R583	D575-S579 VanDerWaalsContact O-CB 3.29Å; D575-S579 WeakPolarHBondContact O-CB 3.47Å; D575-S579 PolarHBondContact O-N 3.27Å; D575-S579 PolarHBondContact O-OG 3.14Å; W576-S579 PolarHBondContact O-N 3.38Å; W576-S579 VanDerWaalsContact O-N 3.13Å; W576-S579 PolarHBondContact O-OG 3.25Å; I577-S579 VanDerWaalsContact C-N 3.35Å; I577-S579 PolarHBondContact O-N 3.24Å; S579-R583 VanDerWaalsContact O-CB 3.31Å; S579-R583 WeakPolarHBondContact O-CB 3.16Å; S579-R583 WeakPolarHBondContact O-CG 3.28Å; S579-R583 PolarHBondContact O-N 3.09Å; S579-R583 VanDerWaalsContact O-N 3.16Å
580	V	93.3	Very high	77.2	Confident	20 Å²	20	79.9 Å²	79.9	12%	0.121	41%	0.413	C	S	.	.	H	α-helix	trans	-71.6	-44.9	179.4	174.4	0	0	0	0	110.6	W379 V421 L438 W576 I577 H578 K582 R583	W379-V580 HydrophobicContact CH2-CG1 3.76Å; W379-V580 HydrophobicContact CZ3-CG1 3.92Å; V421-V580 HydrophobicContact CB-CG1 4.24Å; V421-V580 HydrophobicContact CG1-CG1 4.28Å; V421-V580 HydrophobicContact CG1-CG2 4.23Å; V421-V580 HydrophobicContact CG2-CG1 4.13Å; L438-V580 HydrophobicContact CB-CG1 4.49Å; L438-V580 HydrophobicContact CD1-CB 3.66Å; L438-V580 HydrophobicContact CD1-CG1 3.69Å; L438-V580 HydrophobicContact CD1-CG2 4.23Å; W576-V580 HydrophobicContact CD2-CG2 4.39Å; W576-V580 HydrophobicContact CZ2-CG2 4.28Å; W576-V580 WeakPolarHBondContact O-CG2 3.36Å; W576-V580 PolarHBondContact O-N 3.13Å; I577-V580 PolarHBondContact O-N 3.38Å; H578-V580 VanDerWaalsContact C-N 3.35Å; H578-V580 PolarHBondContact O-N 3.21Å; V580-K582 PolarHBondContact O-N 3.24Å; V580-R583 PolarHBondContact O-N 2.77Å
581	I	90.8	Very high	76.1	Confident	39 Å²	39	84.4 Å²	84.4	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-63.5	-40.7	179.4	-66.9	172	0	0	0	111.3	I375 W379 I577	I375-I581 HydrophobicContact CD1-CD1 4.03Å; W379-I581 HydrophobicContact CD2-CG1 4Å; W379-I581 HydrophobicContact CG-CD1 4.41Å; W379-I581 HydrophobicContact CG-CG1 4.02Å; I577-I581 HydrophobicContact CG2-CD1 3.66Å; I577-I581 VanDerWaalsContact O-CG1 3.29Å; I577-I581 WeakPolarHBondContact O-CG1 3.43Å; I577-I581 PolarHBondContact O-N 3.27Å
582	K	80.8	Confident	75	Confident	162 Å²	162	88.2 Å²	88.2	70%	0.704	46%	0.455	S	S	*	.	H	α-helix	trans	-72.2	-36.3	-179.7	-75.2	-178.3	178.1	-177.6	0	113.4	H578 V580 K584 N585	H578-K582 WeakPolarHBondContact O-CB 3.34Å; H578-K582 WeakPolarHBondContact O-CG 3.37Å; H578-K582 PolarHBondContact O-N 2.95Å; V580-K582 PolarHBondContact O-N 3.24Å; K582-K584 PolarHBondContact O-N 3.45Å; K582-N585 PolarHBondContact O-N 2.91Å
583	R	59.2	Low	73.7	Confident	190 Å²	190	89 Å²	89	72%	0.717	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.6	-170.4	-101.2	179.6	161.1	171.7	-5.1	116.3	S579 V580	S579-R583 VanDerWaalsContact O-CB 3.31Å; S579-R583 WeakPolarHBondContact O-CB 3.16Å; S579-R583 WeakPolarHBondContact O-CG 3.28Å; S579-R583 PolarHBondContact O-N 3.09Å; S579-R583 VanDerWaalsContact O-N 3.16Å; V580-R583 PolarHBondContact O-N 2.77Å
584	K	50.5	Low	72.2	Confident	101 Å²	101	94.5 Å²	94.5	44%	0.439	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	4.4	-179.1	-75.3	-159.9	-179.8	177.5	0	115.9	D419 K582 G586	D419-K584 IonicContact OD2-NZ 3.26Å; D419-K584 PolarHBondContact OD2-NZ 2.63Å; K582-K584 PolarHBondContact O-N 3.45Å; K584-G586 VanDerWaalsContact C-N 3.33Å
585	N	43.3	Very low	70.6	Confident	158 Å²	158	101 Å²	101	85%	0.845	52%	0.521	S	S	*	.	S	Bend	trans	-88.3	1.1	170.8	-80.4	-2	0	0	0	113.5	K582	K582-N585 PolarHBondContact O-N 2.91Å
586	G	33.7	Very low	68.7	Low	66 Å²	66	101.1 Å²	101.1	68%	0.68	52%	0.519	S	S	*	.	S	Bend	trans	-128.7	41.2	-173.3	0	0	0	0	0	114.5	K584	K584-G586 VanDerWaalsContact C-N 3.33Å
587	K	29.9	Very low	66.5	Low	197 Å²	197	107.3 Å²	107.3	86%	0.857	55%	0.554	S	S	*	*			trans	-132.6	89.3	162.1	-75	-166.4	175.5	-169.6	0	108.7
588	T	31.8	Very low	63.8	Low	216 Å²	216	117 Å²	117	100%	1.325	61%	0.605	S	S	*	*			trans	-64.5	0	151.3	36.6	0	0	0	0	109.9

Retrieved 588 of 588 residues in 641.1 ms (Link to these results)

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