A0A3Q0KFH3_SCHMA Loading...

Putative f-box and wd40 domain protein

AlphaFold DB , UniProt , Accession A0A3Q0KFH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 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	22.8	Very low	32.4	Very low	250 Å²	250	150.9 Å²	150.9	100%	1.232	82%	0.815	S	S	*	*				0	131.2	0	-76.6	-178.6	179.2	0	0	108
2	K	27.9	Very low	33.6	Very low	210 Å²	210	144.7 Å²	144.7	91%	0.913	78%	0.781	S	S	*	*			trans	-77.1	149.9	-177.7	-69.7	179	171.7	-177.4	0	111.2
3	S	28.3	Very low	34.8	Very low	105 Å²	105	139.5 Å²	139.5	73%	0.734	76%	0.762	S	S	*	*				-165.1	133.2	115.8	60.6	0	0	0	0	110.7
4	E	36.4	Very low	35.7	Very low	184 Å²	184	137 Å²	137	86%	0.86	75%	0.748	S	S	*	*	S	Bend	trans	-58	133	165	-71.5	166.7	152	0	0	108.6
5	N	34.5	Very low	36.7	Very low	158 Å²	158	132.4 Å²	132.4	85%	0.845	73%	0.726	S	S	*	*	S	Bend	trans	77.3	109.5	178.5	-51.6	-27.3	0	0	0	116.3
6	G	31.1	Very low	37.5	Very low	79 Å²	79	125.9 Å²	125.9	81%	0.814	69%	0.689	S	S	*	*	S	Bend	trans	106.6	60.8	142.5	0	0	0	0	0	117.9
7	S	29	Very low	38.3	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	67%	0.667	S	S	*	*				174.4	107.8	122	58.5	0	0	0	0	108.3	I9	S7-I9 PolarHBondContact O-N 3.27Å
8	K	36.3	Very low	39	Very low	204 Å²	204	118 Å²	118	89%	0.887	65%	0.653	S	S	*	*			trans	-60.6	104.5	164.5	-72.6	175.6	177.5	176.4	0	106.1	P10	K8-P10 WeakPolarHBondContact O-CD 3.36Å; K8-P10 VanDerWaalsContact O-N 3.16Å
9	I	32.9	Very low	39.6	Very low	130 Å²	130	116.8 Å²	116.8	67%	0.667	64%	0.643	S	S	*	*			trans	-63.5	115	155.2	-59.2	173.8	0	0	0	103.4	S7 F11	S7-I9 PolarHBondContact O-N 3.27Å; I9-F11 HydrophobicContact CG2-CD2 4.38Å; I9-F11 PolarHBondContact O-N 2.79Å
10	P	37.1	Very low	40.1	Very low	113 Å²	113	112 Å²	112	73%	0.734	62%	0.617	S	S	*	*			trans	-67.9	92.9	175	28.8	-29	0	0	0	105.4	K8 N12	K8-P10 WeakPolarHBondContact O-CD 3.36Å; K8-P10 VanDerWaalsContact O-N 3.16Å; P10-N12 PolarHBondContact O-N 3.38Å
11	F	40.4	Very low	40.6	Very low	120 Å²	120	109.9 Å²	109.9	53%	0.526	61%	0.61	S	S	.	*			trans	-69.9	87.1	170.5	-125.6	-88	0	0	0	105.2	I9 S13 L16	I9-F11 HydrophobicContact CG2-CD2 4.38Å; I9-F11 PolarHBondContact O-N 2.79Å; F11-S13 PolarHBondContact O-N 3.14Å; F11-L16 HydrophobicContact CD1-CD1 4.29Å
12	N	46.3	Very low	41.9	Very low	76 Å²	76	105 Å²	105	41%	0.406	58%	0.584	S	S	.	*			trans	-59	130.1	179.6	-175.2	-0.9	0	0	0	106.8	P10 D14 T15 L16	P10-N12 PolarHBondContact O-N 3.38Å; N12-D14 PolarHBondContact ND2-OD2 2.83Å; N12-D14 PolarHBondContact O-N 3.02Å; N12-D14 VanDerWaalsContact O-N 3.09Å; N12-D14 PolarHBondContact OD1-N 2.67Å; N12-D14 VanDerWaalsContact OD1-N 3.09Å; N12-D14 PolarHBondContact OD1-OD2 3.33Å; N12-T15 WeakPolarHBondContact CB-OG1 3.04Å; N12-T15 PolarHBondContact N-OG1 3.37Å; N12-T15 PolarHBondContact O-N 2.95Å; N12-T15 PolarHBondContact O-OG1 2.74Å; N12-L16 PolarHBondContact O-N 3.44Å
13	S	48.8	Very low	42.9	Very low	78 Å²	78	97.6 Å²	97.6	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-49.1	-34.8	171.8	44.6	0	0	0	0	110.4	F11 T15 L16 V17	F11-S13 PolarHBondContact O-N 3.14Å; S13-T15 PolarHBondContact O-N 3.43Å; S13-L16 PolarHBondContact O-N 2.93Å; S13-V17 WeakPolarHBondContact O-CB 3.42Å; S13-V17 WeakPolarHBondContact O-CG2 3.19Å; S13-V17 PolarHBondContact O-N 2.98Å
14	D	48.3	Very low	43.8	Very low	104 Å²	104	96.5 Å²	96.5	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-35.7	178.7	-53.6	-26.7	0	0	0	112.6	N12 S18	N12-D14 PolarHBondContact ND2-OD2 2.83Å; N12-D14 PolarHBondContact O-N 3.02Å; N12-D14 VanDerWaalsContact O-N 3.09Å; N12-D14 PolarHBondContact OD1-N 2.67Å; N12-D14 VanDerWaalsContact OD1-N 3.09Å; N12-D14 PolarHBondContact OD1-OD2 3.33Å; D14-S18 WeakPolarHBondContact O-CB 3.18Å; D14-S18 PolarHBondContact O-N 2.82Å; D14-S18 PolarHBondContact O-OG 3.09Å
15	T	50	Low	44.3	Very low	68 Å²	68	91.7 Å²	91.7	42%	0.417	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-41.1	173.5	17.1	0	0	0	0	111.4	N12 S13 S18 M19	N12-T15 WeakPolarHBondContact CB-OG1 3.04Å; N12-T15 PolarHBondContact N-OG1 3.37Å; N12-T15 PolarHBondContact O-N 2.95Å; N12-T15 PolarHBondContact O-OG1 2.74Å; S13-T15 PolarHBondContact O-N 3.43Å; T15-S18 PolarHBondContact O-N 3.02Å; T15-S18 PolarHBondContact O-OG 3.4Å; T15-M19 WeakPolarHBondContact O-CB 3.47Å; T15-M19 WeakPolarHBondContact O-CG 3.11Å; T15-M19 PolarHBondContact O-N 2.79Å
16	L	50.1	Low	44.9	Very low	28 Å²	28	86.5 Å²	86.5	15%	0.147	51%	0.51	C	S	.	.	H	α-helix	trans	-69.4	-41.6	178.8	-156.5	154.7	0	0	0	110.6	F11 N12 S13 M19 L20 L44 L52	F11-L16 HydrophobicContact CD1-CD1 4.29Å; N12-L16 PolarHBondContact O-N 3.44Å; S13-L16 PolarHBondContact O-N 2.93Å; L16-M19 PolarHBondContact O-N 2.88Å; L16-L20 HydrophobicContact CD2-CD1 3.36Å; L16-L20 HydrophobicContact CD2-CG 3.9Å; L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 2.73Å; L16-L44 HydrophobicContact CD1-CD2 4.14Å; L16-L52 HydrophobicContact CD2-CD1 3.8Å
17	V	50.1	Low	45.9	Very low	51 Å²	51	90.7 Å²	90.7	31%	0.309	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-39.8	172.8	172.5	0	0	0	0	110.7	S13 L20 S21	S13-V17 WeakPolarHBondContact O-CB 3.42Å; S13-V17 WeakPolarHBondContact O-CG2 3.19Å; S13-V17 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.43Å; V17-S21 WeakPolarHBondContact O-CA 3.16Å; V17-S21 WeakPolarHBondContact O-CB 3.5Å; V17-S21 PolarHBondContact O-N 2.9Å; V17-S21 PolarHBondContact O-OG 2.79Å
18	S	52.1	Low	46.9	Very low	59 Å²	59	87.9 Å²	87.9	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-69	-39.1	175.5	83.5	0	0	0	0	111.9	D14 T15 S21 H22	D14-S18 WeakPolarHBondContact O-CB 3.18Å; D14-S18 PolarHBondContact O-N 2.82Å; D14-S18 PolarHBondContact O-OG 3.09Å; T15-S18 PolarHBondContact O-N 3.02Å; T15-S18 PolarHBondContact O-OG 3.4Å; S18-S21 WeakPolarHBondContact CA-OG 3.34Å; S18-S21 PolarHBondContact O-OG 3.28Å; S18-S21 VanDerWaalsContact O-OG 3.14Å; S18-H22 WeakPolarHBondContact O-CB 3.09Å; S18-H22 PolarHBondContact O-N 3.09Å
19	M	49.2	Very low	47.7	Very low	96 Å²	96	84.6 Å²	84.6	47%	0.473	48%	0.476	S	S	.	.	H	α-helix	trans	-66.7	-43.3	175.5	-82.1	-172.3	69.6	0	0	110.2	T15 L16 N23	T15-M19 WeakPolarHBondContact O-CB 3.47Å; T15-M19 WeakPolarHBondContact O-CG 3.11Å; T15-M19 PolarHBondContact O-N 2.79Å; L16-M19 PolarHBondContact O-N 2.88Å; M19-N23 WeakPolarHBondContact O-CB 3.23Å; M19-N23 VanDerWaalsContact O-CG 3.3Å; M19-N23 PolarHBondContact O-N 2.72Å; M19-N23 PolarHBondContact O-ND2 3.2Å
20	L	50.3	Low	48.4	Very low	20 Å²	20	83.7 Å²	83.7	11%	0.105	48%	0.479	C	S	.	.	H	α-helix	trans	-68	-44.8	177	-75.7	176.5	0	0	0	111	L16 V17 N23 L24 L40 L52	L16-L20 HydrophobicContact CD2-CD1 3.36Å; L16-L20 HydrophobicContact CD2-CG 3.9Å; L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.28Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 2.73Å; V17-L20 PolarHBondContact O-N 3.43Å; L20-N23 PolarHBondContact O-N 2.77Å; L20-L24 HydrophobicContact CB-CD1 4.16Å; L20-L24 HydrophobicContact CD2-CD1 4.48Å; L20-L24 WeakPolarHBondContact O-CA 3.34Å; L20-L24 WeakPolarHBondContact O-CB 3.08Å; L20-L24 WeakPolarHBondContact O-CD1 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.24Å; L20-L40 HydrophobicContact CD2-CD1 4.48Å; L20-L52 HydrophobicContact CD1-CD1 3.64Å
21	S	50.3	Low	49	Very low	68 Å²	68	84 Å²	84	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-42.4	179.4	69	0	0	0	0	111.1	V17 S18 A25	V17-S21 WeakPolarHBondContact O-CA 3.16Å; V17-S21 WeakPolarHBondContact O-CB 3.5Å; V17-S21 PolarHBondContact O-N 2.9Å; V17-S21 PolarHBondContact O-OG 2.79Å; S18-S21 WeakPolarHBondContact CA-OG 3.34Å; S18-S21 PolarHBondContact O-OG 3.28Å; S18-S21 VanDerWaalsContact O-OG 3.14Å; S21-A25 WeakPolarHBondContact O-CB 3.19Å; S21-A25 PolarHBondContact O-N 2.77Å
22	H	50.8	Low	49.7	Very low	147 Å²	147	82.2 Å²	82.2	68%	0.681	46%	0.463	S	S	*	.	H	α-helix	trans	-72.6	-33.9	179.3	-157.7	-57	0	0	0	112.3	S18 A26	S18-H22 WeakPolarHBondContact O-CB 3.09Å; S18-H22 PolarHBondContact O-N 3.09Å; H22-A26 PolarHBondContact O-N 3.46Å
23	N	47.9	Very low	50.1	Low	54 Å²	54	80.4 Å²	80.4	29%	0.289	46%	0.455	S	S	.	.	H	α-helix	trans	-82.8	-29	176.2	-76.6	-60.4	0	0	0	113.4	M19 L20 L28	M19-N23 WeakPolarHBondContact O-CB 3.23Å; M19-N23 VanDerWaalsContact O-CG 3.3Å; M19-N23 PolarHBondContact O-N 2.72Å; M19-N23 PolarHBondContact O-ND2 3.2Å; L20-N23 PolarHBondContact O-N 2.77Å; N23-L28 HydrophobicContact CB-CD1 3.83Å; N23-L28 WeakPolarHBondContact O-CD1 3.27Å; N23-L28 VanDerWaalsContact O-CG 3.28Å; N23-L28 WeakPolarHBondContact O-CG 3.08Å
24	L	47.7	Very low	50.3	Low	83 Å²	83	79.8 Å²	79.8	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-79.7	-27.3	173.5	-74.3	158	0	0	0	111.5	L20 A26	L20-L24 HydrophobicContact CB-CD1 4.16Å; L20-L24 HydrophobicContact CD2-CD1 4.48Å; L20-L24 WeakPolarHBondContact O-CA 3.34Å; L20-L24 WeakPolarHBondContact O-CB 3.08Å; L20-L24 WeakPolarHBondContact O-CD1 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.23Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 3.24Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 CarbonylContact C-O 3.45Å
25	A	46.1	Very low	50.8	Low	83 Å²	83	79.2 Å²	79.2	69%	0.686	44%	0.439	S	S	*	.	H	α-helix	trans	-70.1	-31.7	168.9	0	0	0	0	0	112	S21 N27	S21-A25 WeakPolarHBondContact O-CB 3.19Å; S21-A25 PolarHBondContact O-N 2.77Å; A25-N27 PolarHBondContact O-N 3.32Å
26	A	49	Very low	51.3	Low	48 Å²	48	78.5 Å²	78.5	40%	0.397	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	125.5	161	0	0	0	0	0	107.3	H22 L24 L28	H22-A26 PolarHBondContact O-N 3.46Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 CarbonylContact C-O 3.45Å; A26-L28 PolarHBondContact O-N 3.39Å
27	N	50.7	Low	51.7	Low	168 Å²	168	80.2 Å²	80.2	90%	0.898	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	66.6	176.8	-83.3	-42.5	0	0	0	111.8	A25 K29	A25-N27 PolarHBondContact O-N 3.32Å; N27-K29 PolarHBondContact O-N 2.62Å
28	L	49.6	Very low	52.1	Low	48 Å²	48	82.7 Å²	82.7	25%	0.251	45%	0.448	S	S	.	.			trans	-65.4	129	177.3	-77.8	176.9	0	0	0	107.8	N23 A26 Q32 V33 L36	N23-L28 HydrophobicContact CB-CD1 3.83Å; N23-L28 WeakPolarHBondContact O-CD1 3.27Å; N23-L28 VanDerWaalsContact O-CG 3.28Å; N23-L28 WeakPolarHBondContact O-CG 3.08Å; A26-L28 PolarHBondContact O-N 3.39Å; L28-Q32 HydrophobicContact CB-CB 4.28Å; L28-Q32 HydrophobicContact CD2-CB 3.92Å; L28-Q32 HydrophobicContact CD2-CG 4.45Å; L28-Q32 VanDerWaalsContact CD2-OE1 3.27Å; L28-V33 HydrophobicContact CB-CG2 3.73Å; L28-V33 HydrophobicContact CD1-CG2 4.42Å; L28-L36 HydrophobicContact CD1-CD1 4.22Å
29	K	53.6	Low	52.7	Low	135 Å²	135	87 Å²	87	59%	0.587	46%	0.459	S	S	*	.			trans	-62.3	148.1	174.5	-67.9	178.7	179	179.1	0	108.6	N27 H31 Q32 V33	N27-K29 PolarHBondContact O-N 2.62Å; K29-H31 VanDerWaalsContact CB-CE1 3.42Å; K29-H31 WeakPolarHBondContact CB-CE1 3.39Å; K29-H31 PolarHBondContact O-N 2.95Å; K29-Q32 HydrophobicContact CB-CG 4.49Å; K29-Q32 WeakPolarHBondContact O-CB 3.4Å; K29-Q32 PolarHBondContact O-N 3.36Å; K29-V33 PolarHBondContact O-N 3.45Å
30	P	47.3	Very low	53.3	Low	111 Å²	111	83.9 Å²	83.9	72%	0.721	44%	0.444	S	S	*	.	H	α-helix	trans	-51.8	-34.4	-173.9	-29.7	34.4	0	0	0	114.8	Q32 V33 L34	P30-Q32 VanDerWaalsContact C-N 3.35Å; P30-Q32 PolarHBondContact O-N 3.48Å; P30-V33 PolarHBondContact O-N 2.81Å; P30-L34 PolarHBondContact O-N 2.9Å
31	H	49.9	Very low	53.9	Low	118 Å²	118	85 Å²	85	55%	0.546	45%	0.453	S	S	.	.	H	α-helix	trans	-67.2	-32.1	177.1	68.8	-89.5	0	0	0	113.3	K29 L34 E35	K29-H31 VanDerWaalsContact CB-CE1 3.42Å; K29-H31 WeakPolarHBondContact CB-CE1 3.39Å; K29-H31 PolarHBondContact O-N 2.95Å; H31-L34 PolarHBondContact O-N 3.33Å; H31-E35 PolarHBondContact O-N 2.9Å
32	Q	56.3	Low	54.8	Low	83 Å²	83	87.9 Å²	87.9	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-71.9	-41.5	177.5	-60.2	177.1	-55.7	0	0	110.5	L28 K29 P30 L34 E35 L36	L28-Q32 HydrophobicContact CB-CB 4.28Å; L28-Q32 HydrophobicContact CD2-CB 3.92Å; L28-Q32 HydrophobicContact CD2-CG 4.45Å; L28-Q32 VanDerWaalsContact CD2-OE1 3.27Å; K29-Q32 HydrophobicContact CB-CG 4.49Å; K29-Q32 WeakPolarHBondContact O-CB 3.4Å; K29-Q32 PolarHBondContact O-N 3.36Å; P30-Q32 VanDerWaalsContact C-N 3.35Å; P30-Q32 PolarHBondContact O-N 3.48Å; Q32-L34 VanDerWaalsContact C-N 3.3Å; Q32-L34 PolarHBondContact O-N 2.88Å; Q32-E35 PolarHBondContact O-N 3.28Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 PolarHBondContact O-N 2.95Å
33	V	54.5	Low	55.6	Low	39 Å²	39	85 Å²	85	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-60	-43.2	173.4	-178.7	0	0	0	0	110.3	L28 K29 P30 L36 I37	L28-V33 HydrophobicContact CB-CG2 3.73Å; L28-V33 HydrophobicContact CD1-CG2 4.42Å; K29-V33 PolarHBondContact O-N 3.45Å; P30-V33 PolarHBondContact O-N 2.81Å; V33-L36 PolarHBondContact O-N 2.82Å; V33-I37 HydrophobicContact CG1-CD1 3.87Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.31Å; V33-I37 PolarHBondContact O-N 3.46Å
34	L	52.4	Low	56.4	Low	65 Å²	65	83.3 Å²	83.3	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-43.3	177.7	-170.8	73.1	0	0	0	112.6	P30 H31 Q32 L36 I37 K38 L95	P30-L34 PolarHBondContact O-N 2.9Å; H31-L34 PolarHBondContact O-N 3.33Å; Q32-L34 VanDerWaalsContact C-N 3.3Å; Q32-L34 PolarHBondContact O-N 2.88Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.46Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-K38 WeakPolarHBondContact O-CB 3.38Å; L34-K38 WeakPolarHBondContact O-CG 3.39Å; L34-K38 PolarHBondContact O-N 3.14Å; L34-L95 HydrophobicContact CD1-CD1 4.35Å; L34-L95 HydrophobicContact CD2-CD1 4.1Å
35	E	59.4	Low	57.6	Low	92 Å²	92	83.2 Å²	83.2	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-40.6	174.2	-91.8	-62.7	128.7	0	0	111.7	H31 Q32 K38 K39	H31-E35 PolarHBondContact O-N 2.9Å; Q32-E35 PolarHBondContact O-N 3.28Å; E35-K38 PolarHBondContact O-N 3.34Å; E35-K39 WeakPolarHBondContact O-CB 3.19Å; E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 3.47Å
36	L	59	Low	58.6	Low	53 Å²	53	81.9 Å²	81.9	28%	0.277	45%	0.453	S	S	.	.	H	α-helix	trans	-66.1	-46.1	178.3	-139.3	156.7	0	0	0	111.1	L28 Q32 V33 L34 K38 K39 L40	L28-L36 HydrophobicContact CD1-CD1 4.22Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 PolarHBondContact O-N 2.95Å; V33-L36 PolarHBondContact O-N 2.82Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.46Å; L36-K38 PolarHBondContact O-N 3.01Å; L36-K39 PolarHBondContact O-N 2.99Å; L36-L40 HydrophobicContact CD2-CD1 3.5Å; L36-L40 VanDerWaalsContact CD2-CD1 3.5Å; L36-L40 HydrophobicContact CD2-CG 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.35Å
37	I	60.3	Low	59.4	Low	64 Å²	64	85.6 Å²	85.6	33%	0.328	46%	0.462	S	S	.	.	H	α-helix	trans	-62.3	-42.6	174.9	-68	170.5	0	0	0	110.7	V33 L34 L40 S41	V33-I37 HydrophobicContact CG1-CD1 3.87Å; V33-I37 HydrophobicContact CG1-CG1 4.41Å; V33-I37 WeakPolarHBondContact O-CG1 3.31Å; V33-I37 PolarHBondContact O-N 3.46Å; L34-I37 PolarHBondContact O-N 3.43Å; I37-L40 PolarHBondContact O-N 3.04Å; I37-S41 VanDerWaalsContact O-CB 3.22Å; I37-S41 WeakPolarHBondContact O-CB 3.24Å; I37-S41 PolarHBondContact O-N 3.49Å; I37-S41 PolarHBondContact O-OG 3.25Å
38	K	58.7	Low	60	Low	103 Å²	103	81.2 Å²	81.2	45%	0.448	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-51.1	176.2	-82.6	-180	-179.9	175.6	0	111.1	L34 E35 L36 L40 S41 V42	L34-K38 WeakPolarHBondContact O-CB 3.38Å; L34-K38 WeakPolarHBondContact O-CG 3.39Å; L34-K38 PolarHBondContact O-N 3.14Å; E35-K38 PolarHBondContact O-N 3.34Å; L36-K38 PolarHBondContact O-N 3.01Å; K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 2.92Å; K38-S41 PolarHBondContact O-N 3.4Å; K38-S41 PolarHBondContact O-OG 2.87Å; K38-V42 PolarHBondContact O-N 3.45Å
39	K	64.6	Low	60.4	Low	148 Å²	148	83.4 Å²	83.4	64%	0.643	44%	0.444	S	S	*	.	H	α-helix	trans	-57.9	-44.7	178.1	-74.5	178.3	-176.2	179.9	0	111.5	E35 L36	E35-K39 WeakPolarHBondContact O-CB 3.19Å; E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 3.47Å; L36-K39 PolarHBondContact O-N 2.99Å
40	L	60.2	Low	60.5	Low	31 Å²	31	80.2 Å²	80.2	16%	0.162	44%	0.435	C	S	.	.	H	α-helix	trans	-66	-42	176.5	-73.3	170.1	0	0	0	112.2	L20 L36 I37 K38 V42 S43 L44	L20-L40 HydrophobicContact CD2-CD1 4.48Å; L36-L40 HydrophobicContact CD2-CD1 3.5Å; L36-L40 VanDerWaalsContact CD2-CD1 3.5Å; L36-L40 HydrophobicContact CD2-CG 4.07Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.35Å; I37-L40 PolarHBondContact O-N 3.04Å; K38-L40 VanDerWaalsContact C-N 3.33Å; K38-L40 PolarHBondContact O-N 2.92Å; L40-V42 PolarHBondContact O-N 3.44Å; L40-V42 VanDerWaalsContact O-N 3.14Å; L40-S43 PolarHBondContact O-N 3.32Å; L40-S43 PolarHBondContact O-OG 2.79Å; L40-L44 HydrophobicContact CB-CD1 4.18Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 3.21Å
41	S	64.7	Low	61.1	Low	43 Å²	43	78.8 Å²	78.8	30%	0.301	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-25	-176.5	77	0	0	0	0	113.3	I37 K38 K49	I37-S41 VanDerWaalsContact O-CB 3.22Å; I37-S41 WeakPolarHBondContact O-CB 3.24Å; I37-S41 PolarHBondContact O-N 3.49Å; I37-S41 PolarHBondContact O-OG 3.25Å; K38-S41 PolarHBondContact O-N 3.4Å; K38-S41 PolarHBondContact O-OG 2.87Å; S41-K49 WeakPolarHBondContact O-CE 3.44Å; S41-K49 PolarHBondContact O-NZ 2.87Å
42	V	69	Low	61.5	Low	129 Å²	129	74.3 Å²	74.3	78%	0.782	40%	0.402	S	S	*	.	H	α-helix	trans	-77.1	-32.5	176.3	176.6	0	0	0	0	110.9	K38 L40	K38-V42 PolarHBondContact O-N 3.45Å; L40-V42 PolarHBondContact O-N 3.44Å; L40-V42 VanDerWaalsContact O-N 3.14Å
43	S	66	Low	61.5	Low	86 Å²	86	75.6 Å²	75.6	60%	0.601	41%	0.411	S	S	*	.	H	α-helix	trans	-88	-19.2	-178.6	54.5	0	0	0	0	114.7	L40	L40-S43 PolarHBondContact O-N 3.32Å; L40-S43 PolarHBondContact O-OG 2.79Å
44	L	66	Low	61.5	Low	19 Å²	19	79.7 Å²	79.7	10%	0.099	43%	0.427	C	S	.	.	S	Bend	trans	-85.7	137.7	-175	-64.8	168.7	0	0	0	112.1	L16 L40 Q48 K49 L52	L16-L44 HydrophobicContact CD1-CD2 4.14Å; L40-L44 HydrophobicContact CB-CD1 4.18Å; L40-L44 WeakPolarHBondContact O-CG 3.38Å; L40-L44 PolarHBondContact O-N 3.21Å; L44-Q48 HydrophobicContact CB-CB 3.97Å; L44-Q48 HydrophobicContact CD2-CB 3.86Å; L44-Q48 HydrophobicContact CD2-CG 4.46Å; L44-Q48 HydrophobicContact CG-CB 4.39Å; L44-K49 HydrophobicContact CB-CG 3.91Å; L44-K49 WeakPolarHBondContact O-CE 3.39Å; L44-L52 HydrophobicContact CD1-CD2 3.9Å
45	T	71.9	Confident	61.6	Low	81 Å²	81	80.1 Å²	80.1	50%	0.497	43%	0.427	S	S	.	.			trans	-66.8	163.3	168.1	60.5	0	0	0	0	111.4	Q47 Q48 K49	T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 3.42Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact O-N 3.1Å; T45-Q48 VanDerWaalsContact OG1-CD 3.23Å; T45-Q48 VanDerWaalsContact OG1-CG 3.24Å; T45-Q48 WeakPolarHBondContact OG1-CG 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.83Å; T45-K49 WeakPolarHBondContact O-CG 3.37Å; T45-K49 PolarHBondContact O-N 3.38Å
46	G	68.2	Low	61.2	Low	56 Å²	56	78.4 Å²	78.4	58%	0.577	42%	0.421	S	S	*	.	H	α-helix	trans	-52.6	-47.2	-179.8	0	0	0	0	0	113.2	Q48 K49 T50	G46-Q48 PolarHBondContact O-N 3.01Å; G46-K49 WeakPolarHBondContact O-CB 3.22Å; G46-K49 PolarHBondContact O-N 2.85Å; G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 VanDerWaalsContact O-N 3.15Å; G46-T50 PolarHBondContact O-OG1 3.45Å; G46-T50 VanDerWaalsContact O-OG1 3.05Å
47	Q	65.3	Low	60.7	Low	126 Å²	126	79 Å²	79	59%	0.589	42%	0.424	S	S	*	.	H	α-helix	trans	-64.7	-39.9	178	-170.4	62.3	32.5	0	0	112.6	T45 K49 T50 N51	T45-Q47 VanDerWaalsContact C-N 3.33Å; T45-Q47 PolarHBondContact O-N 3.42Å; Q47-K49 VanDerWaalsContact C-N 3.29Å; Q47-K49 PolarHBondContact O-N 3.35Å; Q47-T50 WeakPolarHBondContact O-CB 3.33Å; Q47-T50 PolarHBondContact O-N 3.1Å; Q47-T50 VanDerWaalsContact O-N 3.16Å; Q47-N51 PolarHBondContact NE2-OD1 3.07Å; Q47-N51 VanDerWaalsContact NE2-OD1 3.15Å; Q47-N51 PolarHBondContact O-N 2.76Å; Q47-N51 PolarHBondContact O-OD1 3.04Å
48	Q	62.2	Low	60.1	Low	75 Å²	75	78.7 Å²	78.7	35%	0.35	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-33.6	177.4	-73.7	170	-39.6	0	0	112.1	L44 T45 G46 T50 L52	L44-Q48 HydrophobicContact CB-CB 3.97Å; L44-Q48 HydrophobicContact CD2-CB 3.86Å; L44-Q48 HydrophobicContact CD2-CG 4.46Å; L44-Q48 HydrophobicContact CG-CB 4.39Å; T45-Q48 PolarHBondContact O-N 3.38Å; T45-Q48 VanDerWaalsContact O-N 3.1Å; T45-Q48 VanDerWaalsContact OG1-CD 3.23Å; T45-Q48 VanDerWaalsContact OG1-CG 3.24Å; T45-Q48 WeakPolarHBondContact OG1-CG 2.87Å; T45-Q48 PolarHBondContact OG1-OE1 2.83Å; G46-Q48 PolarHBondContact O-N 3.01Å; Q48-T50 VanDerWaalsContact C-N 3.34Å; Q48-L52 VanDerWaalsContact O-CB 3.29Å; Q48-L52 WeakPolarHBondContact O-CB 3.22Å; Q48-L52 PolarHBondContact O-N 3.14Å
49	K	59.2	Low	59.5	Low	95 Å²	95	78.7 Å²	78.7	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-42.8	171.6	-68.1	178.3	-174.8	-172.6	0	110.9	S41 L44 T45 G46 Q47 L52 L53	S41-K49 WeakPolarHBondContact O-CE 3.44Å; S41-K49 PolarHBondContact O-NZ 2.87Å; L44-K49 HydrophobicContact CB-CG 3.91Å; L44-K49 WeakPolarHBondContact O-CE 3.39Å; T45-K49 WeakPolarHBondContact O-CG 3.37Å; T45-K49 PolarHBondContact O-N 3.38Å; G46-K49 WeakPolarHBondContact O-CB 3.22Å; G46-K49 PolarHBondContact O-N 2.85Å; Q47-K49 VanDerWaalsContact C-N 3.29Å; Q47-K49 PolarHBondContact O-N 3.35Å; K49-L52 PolarHBondContact O-N 2.96Å; K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 PolarHBondContact O-N 3.25Å
50	T	55.9	Low	58.5	Low	67 Å²	67	74.7 Å²	74.7	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-48.7	176.4	-42.3	0	0	0	0	111.2	G46 Q47 Q48 L52 L53 E54	G46-T50 PolarHBondContact O-N 2.85Å; G46-T50 VanDerWaalsContact O-N 3.15Å; G46-T50 PolarHBondContact O-OG1 3.45Å; G46-T50 VanDerWaalsContact O-OG1 3.05Å; Q47-T50 WeakPolarHBondContact O-CB 3.33Å; Q47-T50 PolarHBondContact O-N 3.1Å; Q47-T50 VanDerWaalsContact O-N 3.16Å; Q48-T50 VanDerWaalsContact C-N 3.34Å; T50-L52 VanDerWaalsContact C-N 3.33Å; T50-L52 PolarHBondContact O-N 3.43Å; T50-L53 CarbonylContact O-C 3.58Å; T50-L53 WeakPolarHBondContact O-CA 3.48Å; T50-L53 WeakPolarHBondContact O-CB 3.29Å; T50-L53 PolarHBondContact O-N 2.9Å; T50-L53 VanDerWaalsContact O-N 3.08Å; T50-E54 PolarHBondContact O-N 3.33Å
51	N	59.6	Low	57.5	Low	82 Å²	82	78.6 Å²	78.6	44%	0.439	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-39.7	178.3	-66.2	9.3	0	0	0	112	Q47 L53 E54 H55	Q47-N51 PolarHBondContact NE2-OD1 3.07Å; Q47-N51 VanDerWaalsContact NE2-OD1 3.15Å; Q47-N51 PolarHBondContact O-N 2.76Å; Q47-N51 PolarHBondContact O-OD1 3.04Å; N51-L53 VanDerWaalsContact C-N 3.33Å; N51-E54 PolarHBondContact O-N 3.33Å; N51-H55 WeakPolarHBondContact O-CB 3.48Å; N51-H55 PolarHBondContact O-N 3.01Å
52	L	58.1	Low	56.5	Low	24 Å²	24	82.8 Å²	82.8	13%	0.126	47%	0.474	C	S	.	.	H	α-helix	trans	-61.6	-44.4	173	-179.1	77.6	0	0	0	110.5	L16 L20 L44 Q48 K49 T50 H55 L56	L16-L52 HydrophobicContact CD2-CD1 3.8Å; L20-L52 HydrophobicContact CD1-CD1 3.64Å; L44-L52 HydrophobicContact CD1-CD2 3.9Å; Q48-L52 VanDerWaalsContact O-CB 3.29Å; Q48-L52 WeakPolarHBondContact O-CB 3.22Å; Q48-L52 PolarHBondContact O-N 3.14Å; K49-L52 PolarHBondContact O-N 2.96Å; T50-L52 VanDerWaalsContact C-N 3.33Å; T50-L52 PolarHBondContact O-N 3.43Å; L52-H55 PolarHBondContact O-N 3.31Å; L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.41Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.16Å; L52-L56 PolarHBondContact O-N 3.41Å
53	L	56.7	Low	55.2	Low	109 Å²	109	79.8 Å²	79.8	57%	0.571	47%	0.469	S	S	*	.	H	α-helix	trans	-63.7	-44.1	178.8	-140.4	113.2	0	0	0	111.1	K49 T50 N51 L56 L57	K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 PolarHBondContact O-N 3.25Å; T50-L53 CarbonylContact O-C 3.58Å; T50-L53 WeakPolarHBondContact O-CA 3.48Å; T50-L53 WeakPolarHBondContact O-CB 3.29Å; T50-L53 PolarHBondContact O-N 2.9Å; T50-L53 VanDerWaalsContact O-N 3.08Å; N51-L53 VanDerWaalsContact C-N 3.33Å; L53-L56 PolarHBondContact O-N 3.41Å; L53-L57 HydrophobicContact CD2-CD1 4.11Å; L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 2.82Å
54	E	55.1	Low	54.1	Low	126 Å²	126	78.7 Å²	78.7	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-61.8	-41.7	174.6	-78.2	-172.4	166.8	0	0	112.1	T50 N51 L57 G58	T50-E54 PolarHBondContact O-N 3.33Å; N51-E54 PolarHBondContact O-N 3.33Å; E54-L57 WeakPolarHBondContact O-CB 3.5Å; E54-L57 PolarHBondContact O-N 3.16Å; E54-G58 PolarHBondContact O-N 3.1Å
55	H	53.4	Low	52.8	Low	74 Å²	74	83 Å²	83	34%	0.343	47%	0.472	S	S	.	.	H	α-helix	trans	-67.2	-43.4	177.2	-166.2	70.7	0	0	0	111.6	N51 L52 L57 G58 L59	N51-H55 WeakPolarHBondContact O-CB 3.48Å; N51-H55 PolarHBondContact O-N 3.01Å; L52-H55 PolarHBondContact O-N 3.31Å; H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.08Å; H55-G58 PolarHBondContact O-N 2.88Å; H55-G58 VanDerWaalsContact O-N 3.14Å; H55-L59 WeakPolarHBondContact O-CG 3.3Å; H55-L59 PolarHBondContact O-N 3.15Å
56	L	50.5	Low	51.3	Low	55 Å²	55	82.2 Å²	82.2	29%	0.288	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-39.6	173.3	-71.8	171	0	0	0	111.3	L52 L53 G58 L59 T60	L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.96Å; L52-L56 HydrophobicContact CG-CG 4.41Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 VanDerWaalsContact O-CG 3.22Å; L52-L56 WeakPolarHBondContact O-CG 3.16Å; L52-L56 PolarHBondContact O-N 3.41Å; L53-L56 PolarHBondContact O-N 3.41Å; L56-G58 VanDerWaalsContact C-N 3.34Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-T60 WeakPolarHBondContact O-CG2 3.42Å; L56-T60 PolarHBondContact O-N 2.8Å; L56-T60 VanDerWaalsContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 3.2Å
57	L	49.4	Very low	50	Low	66 Å²	66	81 Å²	81	35%	0.346	45%	0.446	S	S	.	.	H	α-helix	trans	-64.5	-37.2	173.8	-76.2	168.9	0	0	0	111.9	L53 E54 H55 L59 T60 F65	L53-L57 HydrophobicContact CD2-CD1 4.11Å; L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.41Å; L53-L57 WeakPolarHBondContact O-CG 3.39Å; L53-L57 PolarHBondContact O-N 2.82Å; E54-L57 WeakPolarHBondContact O-CB 3.5Å; E54-L57 PolarHBondContact O-N 3.16Å; H55-L57 VanDerWaalsContact C-N 3.29Å; H55-L57 PolarHBondContact O-N 3.08Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-T60 WeakPolarHBondContact CA-OG1 3.31Å; L57-T60 PolarHBondContact O-N 2.83Å; L57-T60 PolarHBondContact O-OG1 2.92Å; L57-F65 HydrophobicContact CD2-CD2 3.83Å; L57-F65 HydrophobicContact CD2-CE2 3.36Å; L57-F65 HydrophobicContact CD2-CZ 3.85Å
58	G	48.7	Very low	48.9	Very low	58 Å²	58	79 Å²	79	60%	0.598	44%	0.439	S	S	*	.	H	α-helix	trans	-69.8	-29.1	174.8	0	0	0	0	0	113.6	E54 H55 L56	E54-G58 PolarHBondContact O-N 3.1Å; H55-G58 PolarHBondContact O-N 2.88Å; H55-G58 VanDerWaalsContact O-N 3.14Å; L56-G58 VanDerWaalsContact C-N 3.34Å
59	L	45.9	Very low	47.9	Very low	102 Å²	102	84.7 Å²	84.7	53%	0.534	46%	0.457	S	S	.	.	H	α-helix	trans	-77	-23.1	173.6	-68.8	170	0	0	0	112.5	H55 L56 L57	H55-L59 WeakPolarHBondContact O-CG 3.3Å; H55-L59 PolarHBondContact O-N 3.15Å; L56-L59 PolarHBondContact O-N 3.31Å; L57-L59 VanDerWaalsContact C-N 3.34Å
60	T	41.8	Very low	46.9	Very low	65 Å²	65	84.8 Å²	84.8	40%	0.399	46%	0.462	S	S	.	.	S	Bend	trans	-88.9	128	174.2	54.6	0	0	0	0	110.7	L56 L57 I62	L56-T60 WeakPolarHBondContact O-CG2 3.42Å; L56-T60 PolarHBondContact O-N 2.8Å; L56-T60 VanDerWaalsContact O-N 3.1Å; L56-T60 PolarHBondContact O-OG1 3.2Å; L57-T60 WeakPolarHBondContact CA-OG1 3.31Å; L57-T60 PolarHBondContact O-N 2.83Å; L57-T60 PolarHBondContact O-OG1 2.92Å; T60-I62 PolarHBondContact O-N 3.47Å
61	P	40.4	Very low	46.5	Very low	113 Å²	113	85.6 Å²	85.6	73%	0.734	48%	0.475	S	S	*	.			trans	-53.4	117.9	177.8	-25.5	33.2	0	0	0	112.1	G63 H64	P61-G63 PolarHBondContact O-N 3.05Å; P61-H64 PolarHBondContact O-N 3.15Å
62	I	42.3	Very low	46.1	Very low	131 Å²	131	84.6 Å²	84.6	67%	0.672	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-60.8	-15.7	-169.4	-67.9	162.5	0	0	0	114	T60 H64 F65	T60-I62 PolarHBondContact O-N 3.47Å; I62-H64 PolarHBondContact O-N 3.09Å; I62-F65 PolarHBondContact O-N 3.21Å
63	G	41.7	Very low	45.6	Very low	65 Å²	65	90.2 Å²	90.2	67%	0.67	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-56.3	-18.5	175.8	0	0	0	0	0	114.1	P61	P61-G63 PolarHBondContact O-N 3.05Å
64	H	42.9	Very low	45.3	Very low	64 Å²	64	88.9 Å²	88.9	30%	0.296	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-83.9	-28.4	-172.4	-131.3	-79	0	0	0	115.6	P61 I62 S67 C85	P61-H64 PolarHBondContact O-N 3.15Å; I62-H64 PolarHBondContact O-N 3.09Å; H64-S67 WeakPolarHBondContact O-CB 3.48Å; H64-S67 PolarHBondContact O-OG 3.4Å; H64-C85 PolarHBondContact CE1-O 2.86Å; H64-C85 PolarHBondContact ND1-O 3.29Å; H64-C85 WeakPolarHBondContact NE2-CA 3.38Å; H64-C85 VanDerWaalsContact NE2-CB 3.31Å; H64-C85 WeakPolarHBondContact NE2-CB 3.4Å; H64-C85 PolarHBondContact NE2-N 3Å; H64-C85 VanDerWaalsContact NE2-N 3.15Å
65	F	40.4	Very low	45.1	Very low	109 Å²	109	85.2 Å²	85.2	48%	0.478	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.4	177.9	-85.6	-86.5	0	0	0	113.1	L57 I62 S67 L68	L57-F65 HydrophobicContact CD2-CD2 3.83Å; L57-F65 HydrophobicContact CD2-CE2 3.36Å; L57-F65 HydrophobicContact CD2-CZ 3.85Å; I62-F65 PolarHBondContact O-N 3.21Å; F65-S67 PolarHBondContact O-N 3.42Å; F65-L68 HydrophobicContact CD1-CD1 3.58Å; F65-L68 HydrophobicContact CE1-CD1 3.81Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 3.07Å
66	E	39.9	Very low	45	Very low	65 Å²	65	86.5 Å²	86.5	30%	0.304	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-64.4	-21.5	168	-89.1	-69.5	175.5	0	0	111.8	L68 R69 L70	E66-L68 PolarHBondContact O-N 3.02Å; E66-R69 VanDerWaalsContact CD-NE 3.35Å; E66-R69 CarbonylContact O-C 3.56Å; E66-R69 WeakPolarHBondContact O-CA 3.31Å; E66-R69 PolarHBondContact O-N 3.15Å; E66-R69 IonicContact OE1-CZ 3.06Å; E66-R69 IonicContact OE1-NE 2.95Å; E66-R69 PolarHBondContact OE1-NE 3.33Å; E66-R69 IonicContact OE1-NH1 3.51Å; E66-R69 IonicContact OE1-NH2 3.4Å; E66-R69 PolarHBondContact OE1-NH2 2.94Å; E66-R69 VanDerWaalsContact OE2-CB 3.27Å; E66-R69 WeakPolarHBondContact OE2-CB 3.42Å; E66-R69 IonicContact OE2-CZ 3.74Å; E66-R69 IonicContact OE2-NE 2.96Å; E66-R69 PolarHBondContact OE2-NE 2.87Å; E66-R69 IonicContact OE2-NH2 3.52Å; E66-L70 HydrophobicContact CB-CD1 4.11Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 2.79Å
67	S	41.8	Very low	44.8	Very low	31 Å²	31	88.4 Å²	88.4	22%	0.217	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-61.3	-26.2	169.3	-35.5	0	0	0	0	113	H64 F65	H64-S67 WeakPolarHBondContact O-CB 3.48Å; H64-S67 PolarHBondContact O-OG 3.4Å; F65-S67 PolarHBondContact O-N 3.42Å
68	L	42.2	Very low	44.9	Very low	84 Å²	84	88 Å²	88	44%	0.44	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-80.6	-17.7	172.8	-74.2	165.9	0	0	0	112.8	F65 E66 V114 W118	F65-L68 HydrophobicContact CD1-CD1 3.58Å; F65-L68 HydrophobicContact CE1-CD1 3.81Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 3.07Å; E66-L68 PolarHBondContact O-N 3.02Å; L68-V114 HydrophobicContact CD2-CG2 4.4Å; L68-W118 HydrophobicContact CD2-CH2 3.62Å; L68-W118 HydrophobicContact CD2-CZ2 4.06Å; L68-W118 HydrophobicContact CD2-CZ3 4.07Å
69	R	40.9	Very low	44.7	Very low	194 Å²	194	93.8 Å²	93.8	73%	0.732	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-23.8	177.2	-151.7	173.8	77.1	147.5	4.3	112.5	E66	E66-R69 VanDerWaalsContact CD-NE 3.35Å; E66-R69 CarbonylContact O-C 3.56Å; E66-R69 WeakPolarHBondContact O-CA 3.31Å; E66-R69 PolarHBondContact O-N 3.15Å; E66-R69 IonicContact OE1-CZ 3.06Å; E66-R69 IonicContact OE1-NE 2.95Å; E66-R69 PolarHBondContact OE1-NE 3.33Å; E66-R69 IonicContact OE1-NH1 3.51Å; E66-R69 IonicContact OE1-NH2 3.4Å; E66-R69 PolarHBondContact OE1-NH2 2.94Å; E66-R69 VanDerWaalsContact OE2-CB 3.27Å; E66-R69 WeakPolarHBondContact OE2-CB 3.42Å; E66-R69 IonicContact OE2-CZ 3.74Å; E66-R69 IonicContact OE2-NE 2.96Å; E66-R69 PolarHBondContact OE2-NE 2.87Å; E66-R69 IonicContact OE2-NH2 3.52Å
70	L	38	Very low	44.6	Very low	97 Å²	97	100.7 Å²	100.7	51%	0.508	54%	0.541	S	S	.	.	S	Bend	trans	-108.3	108.1	-173.6	-66.5	166.3	0	0	0	111.2	E66 L74	E66-L70 HydrophobicContact CB-CD1 4.11Å; E66-L70 WeakPolarHBondContact O-CB 3.46Å; E66-L70 WeakPolarHBondContact O-CG 3.2Å; E66-L70 PolarHBondContact O-N 2.79Å; L70-L74 HydrophobicContact CB-CD1 4.21Å; L70-L74 WeakPolarHBondContact O-CD1 3.3Å
71	A	46.2	Very low	44.6	Very low	83 Å²	83	103.8 Å²	103.8	69%	0.686	55%	0.552	S	S	*	*			trans	48.2	131	158.3	0	0	0	0	0	121.1	H73	A71-H73 PolarHBondContact O-N 2.62Å
72	T	51.5	Low	45	Very low	62 Å²	62	105.1 Å²	105.1	38%	0.38	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.8	8.8	-176.3	55.6	0	0	0	0	117.7	E113	T72-E113 CarbonylContact C-O 3.25Å; T72-E113 VanDerWaalsContact C-O 3.25Å; T72-E113 WeakPolarHBondContact CA-O 3.2Å; T72-E113 WeakPolarHBondContact CB-O 3.4Å; T72-E113 HydrophobicContact CG2-CB 3.61Å; T72-E113 HydrophobicContact CG2-CG 4.44Å
73	H	48.4	Very low	45	Very low	141 Å²	141	103.6 Å²	103.6	65%	0.653	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	13.7	-172.7	-67.6	-48	0	0	0	115	A71 H75 S76	A71-H73 PolarHBondContact O-N 2.62Å; H73-H75 VanDerWaalsContact C-N 3.28Å; H73-H75 PolarHBondContact O-N 2.91Å; H73-H75 VanDerWaalsContact O-N 3.15Å; H73-S76 PolarHBondContact O-OG 2.95Å
74	L	50	Low	45.3	Very low	82 Å²	82	102.6 Å²	102.6	43%	0.429	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.2	-173.6	-91.3	166.6	0	0	0	115.3	L70	L70-L74 HydrophobicContact CB-CD1 4.21Å; L70-L74 WeakPolarHBondContact O-CD1 3.3Å
75	H	50.9	Low	45.8	Very low	48 Å²	48	101.4 Å²	101.4	22%	0.222	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	5.7	-172	-61	-74.2	0	0	0	115.5	H73 S77 C78 C84 N115	H73-H75 VanDerWaalsContact C-N 3.28Å; H73-H75 PolarHBondContact O-N 2.91Å; H73-H75 VanDerWaalsContact O-N 3.15Å; H75-S77 PolarHBondContact O-N 3.17Å; H75-C78 HydrophobicContact CB-CB 4.39Å; H75-C78 PolarHBondContact O-N 3.04Å; H75-C84 PolarHBondContact CE1-SG 3.02Å; H75-C84 PolarHBondContact ND1-SG 3.27Å; H75-N115 HydrophobicContact CB-CB 3.91Å
76	S	50.8	Low	47	Very low	101 Å²	101	96.8 Å²	96.8	71%	0.706	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.5	177.4	66	0	0	0	0	112.1	H73	H73-S76 PolarHBondContact O-OG 2.95Å
77	S	46.7	Very low	48.5	Very low	96 Å²	96	97 Å²	97	67%	0.671	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	5.5	-178.7	54.2	0	0	0	0	114	H75 Q79	H75-S77 PolarHBondContact O-N 3.17Å; S77-Q79 PolarHBondContact O-N 2.82Å
78	C	51.5	Low	50.1	Low	56 Å²	56	95.5 Å²	95.5	38%	0.378	51%	0.505	S	S	.	.			trans	-77.4	64.5	179.4	-149.3	0	0	0	0	110.3	H75	H75-C78 HydrophobicContact CB-CB 4.39Å; H75-C78 PolarHBondContact O-N 3.04Å
79	Q	43.9	Very low	51.5	Low	180 Å²	180	95.1 Å²	95.1	84%	0.841	51%	0.505	S	S	*	.			trans	-85.2	131.3	154.9	-74.3	-177.4	-9.2	0	0	106.3	S77	S77-Q79 PolarHBondContact O-N 2.82Å
80	R	43.7	Very low	53	Low	248 Å²	248	93.9 Å²	93.9	94%	0.936	50%	0.501	S	S	*	.	S	Bend	trans	82.9	30.5	161.4	-113.7	175.3	-170.3	160.8	0.7	119.4
81	M	42.6	Very low	54.8	Low	130 Å²	130	91.7 Å²	91.7	64%	0.64	49%	0.489	S	S	*	.			trans	-112	115.5	156.7	-95.6	-173.6	165.9	0	0	110.1	D83 C84	M81-D83 VanDerWaalsContact CB-OD1 3.31Å; M81-D83 WeakPolarHBondContact CB-OD1 3.4Å; M81-D83 PolarHBondContact O-N 3.33Å; M81-D83 VanDerWaalsContact O-N 3.09Å; M81-C84 PolarHBondContact O-N 2.83Å
82	P	48.2	Very low	56.5	Low	141 Å²	141	91 Å²	91	92%	0.916	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17	178.5	-21.2	31.6	0	0	0	114.1
83	D	42.5	Very low	57.9	Low	99 Å²	99	89.9 Å²	89.9	53%	0.529	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	16.1	-170.9	60	-32.1	0	0	0	113.8	M81 C85	M81-D83 VanDerWaalsContact CB-OD1 3.31Å; M81-D83 WeakPolarHBondContact CB-OD1 3.4Å; M81-D83 PolarHBondContact O-N 3.33Å; M81-D83 VanDerWaalsContact O-N 3.09Å; D83-C85 PolarHBondContact O-N 3.25Å; D83-C85 PolarHBondContact O-SG 2.94Å
84	C	48.4	Very low	59.6	Low	43 Å²	43	90 Å²	90	29%	0.291	48%	0.476	S	S	.	.			trans	-69.1	80	166.8	-179.8	0	0	0	0	110.5	H75 M81 D86	H75-C84 PolarHBondContact CE1-SG 3.02Å; H75-C84 PolarHBondContact ND1-SG 3.27Å; M81-C84 PolarHBondContact O-N 2.83Å; C84-D86 VanDerWaalsContact C-N 3.28Å; C84-D86 PolarHBondContact O-N 3.49Å
85	C	53.5	Low	61	Low	39 Å²	39	88.5 Å²	88.5	26%	0.264	47%	0.468	S	S	.	.			trans	-75	56.9	-174.1	-57	0	0	0	0	115	H64 D83 F87 W90	H64-C85 PolarHBondContact CE1-O 2.86Å; H64-C85 PolarHBondContact ND1-O 3.29Å; H64-C85 WeakPolarHBondContact NE2-CA 3.38Å; H64-C85 VanDerWaalsContact NE2-CB 3.31Å; H64-C85 WeakPolarHBondContact NE2-CB 3.4Å; H64-C85 PolarHBondContact NE2-N 3Å; H64-C85 VanDerWaalsContact NE2-N 3.15Å; D83-C85 PolarHBondContact O-N 3.25Å; D83-C85 PolarHBondContact O-SG 2.94Å; C85-F87 PolarHBondContact O-N 2.96Å; C85-W90 VanDerWaalsContact CA-CZ2 3.48Å; C85-W90 HydrophobicContact CB-CH2 3.36Å; C85-W90 HydrophobicContact CB-CZ2 3.42Å; C85-W90 VanDerWaalsContact CB-CZ2 3.42Å; C85-W90 HydrophobicContact CB-CZ3 4.26Å; C85-W90 VanDerWaalsContact SG-CH2 3.51Å; C85-W90 VanDerWaalsContact SG-CZ2 3.58Å
86	D	65.9	Low	62.5	Low	13 Å²	13	86.2 Å²	86.2	7%	0.07	46%	0.457	C	S	.	.			trans	-67.4	99.8	172.7	-178.8	8.5	0	0	0	110.5	C84 V88 T89 N115 W118	C84-D86 VanDerWaalsContact C-N 3.28Å; C84-D86 PolarHBondContact O-N 3.49Å; D86-V88 PolarHBondContact O-N 3.02Å; D86-V88 WeakPolarHBondContact OD1-CB 3.35Å; D86-V88 PolarHBondContact OD1-N 3.39Å; D86-T89 HydrophobicContact CB-CG2 4.04Å; D86-T89 WeakPolarHBondContact O-CB 3.41Å; D86-T89 PolarHBondContact O-N 3.05Å; D86-T89 PolarHBondContact O-OG1 2.99Å; D86-N115 PolarHBondContact OD2-ND2 3.01Å; D86-W118 PolarHBondContact OD1-NE1 2.95Å; D86-W118 PolarHBondContact OD2-NE1 3.37Å
87	F	71.9	Confident	64.2	Low	69 Å²	69	82.9 Å²	82.9	30%	0.303	43%	0.432	S	S	.	.	H	α-helix	trans	-57.5	-26.4	-176.7	80.8	-92.3	0	0	0	113.1	C85 T89 W90 L91 W118	C85-F87 PolarHBondContact O-N 2.96Å; F87-T89 PolarHBondContact O-N 3.49Å; F87-W90 PolarHBondContact O-N 2.99Å; F87-L91 HydrophobicContact CD2-CD1 3.62Å; F87-L91 HydrophobicContact CD2-CG 4.3Å; F87-L91 HydrophobicContact CE2-CD1 3.9Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.14Å; F87-L91 VanDerWaalsContact O-N 3.07Å; F87-W118 HydrophobicContact CD1-CZ2 4.32Å; F87-W118 AromaticContact CE1-CH2 3.82Å; F87-W118 HydrophobicContact CE1-CH2 3.82Å; F87-W118 AromaticContact CE1-CZ2 3.46Å; F87-W118 HydrophobicContact CE1-CZ2 3.46Å; F87-W118 VanDerWaalsContact CE1-CZ2 3.46Å; F87-W118 AromaticContact CZ-CH2 3.92Å; F87-W118 HydrophobicContact CZ-CH2 3.92Å; F87-W118 AromaticContact CZ-CZ2 3.84Å; F87-W118 HydrophobicContact CZ-CZ2 3.84Å
88	V	74.6	Confident	65.9	Low	0 Å²	0	85.8 Å²	85.8	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-28.5	176.7	171.4	0	0	0	0	111.2	D86 W90 T96 F100 W118 Y121	D86-V88 PolarHBondContact O-N 3.02Å; D86-V88 WeakPolarHBondContact OD1-CB 3.35Å; D86-V88 PolarHBondContact OD1-N 3.39Å; V88-W90 VanDerWaalsContact C-N 3.35Å; V88-T96 HydrophobicContact CG1-CG2 3.83Å; V88-F100 HydrophobicContact CG2-CE2 4.17Å; V88-F100 HydrophobicContact CG2-CZ 4.28Å; V88-W118 HydrophobicContact CG2-CD2 3.97Å; V88-W118 HydrophobicContact CG2-CG 4.34Å; V88-W118 HydrophobicContact CG2-CH2 4.28Å; V88-W118 HydrophobicContact CG2-CZ2 3.57Å; V88-Y121 HydrophobicContact CG1-CD2 3.43Å; V88-Y121 VanDerWaalsContact CG1-CD2 3.43Å; V88-Y121 HydrophobicContact CG1-CE2 3.75Å; V88-Y121 HydrophobicContact CG1-CG 4.46Å
89	T	72.5	Confident	67.3	Low	75 Å²	75	86.8 Å²	86.8	46%	0.46	43%	0.428	S	S	.	.	H	α-helix	trans	-77.4	-20.3	173.1	66.3	0	0	0	0	113.3	D86 F87 S117	D86-T89 HydrophobicContact CB-CG2 4.04Å; D86-T89 WeakPolarHBondContact O-CB 3.41Å; D86-T89 PolarHBondContact O-N 3.05Å; D86-T89 PolarHBondContact O-OG1 2.99Å; F87-T89 PolarHBondContact O-N 3.49Å; T89-S117 VanDerWaalsContact CG2-OG 3.29Å; T89-S117 WeakPolarHBondContact CG2-OG 3.18Å
90	W	71.9	Confident	69.4	Low	169 Å²	169	78.3 Å²	78.3	64%	0.64	39%	0.389	S	S	*	.	H	α-helix	trans	-90.9	-27.5	-178.5	-60.6	-6.6	0	0	0	113.3	C85 F87 V88	C85-W90 VanDerWaalsContact CA-CZ2 3.48Å; C85-W90 HydrophobicContact CB-CH2 3.36Å; C85-W90 HydrophobicContact CB-CZ2 3.42Å; C85-W90 VanDerWaalsContact CB-CZ2 3.42Å; C85-W90 HydrophobicContact CB-CZ3 4.26Å; C85-W90 VanDerWaalsContact SG-CH2 3.51Å; C85-W90 VanDerWaalsContact SG-CZ2 3.58Å; F87-W90 PolarHBondContact O-N 2.99Å; V88-W90 VanDerWaalsContact C-N 3.35Å
91	L	74.4	Confident	71.4	Confident	50 Å²	50	68.5 Å²	68.5	26%	0.262	36%	0.358	S	S	.	.	S	Bend	trans	-79.2	140.6	-178.7	-71.7	177.4	0	0	0	111.8	F87 T96 I99	F87-L91 HydrophobicContact CD2-CD1 3.62Å; F87-L91 HydrophobicContact CD2-CG 4.3Å; F87-L91 HydrophobicContact CE2-CD1 3.9Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.14Å; F87-L91 VanDerWaalsContact O-N 3.07Å; L91-T96 VanDerWaalsContact CB-OG1 3.29Å; L91-T96 WeakPolarHBondContact CB-OG1 3.49Å; L91-I99 HydrophobicContact CD1-CD1 3.59Å
92	P	81.9	Confident	73.4	Confident	70 Å²	70	70.6 Å²	70.6	46%	0.455	36%	0.36	S	S	.	.			trans	-50.8	141.7	164.6	-25.5	32.7	0	0	0	111.6	E94 L95 T96	P92-E94 PolarHBondContact O-N 3.37Å; P92-E94 VanDerWaalsContact O-N 3.14Å; P92-L95 HydrophobicContact CB-CG 4.5Å; P92-L95 HydrophobicContact CG-CD1 4.2Å; P92-L95 PolarHBondContact O-N 2.89Å; P92-T96 PolarHBondContact O-N 3.21Å; P92-T96 PolarHBondContact O-OG1 3.34Å
93	A	82.3	Confident	75.1	Confident	37 Å²	37	66.6 Å²	66.6	31%	0.306	33%	0.331	S	S	.	.	H	α-helix	trans	-54.3	-38.5	-175.5	0	0	0	0	0	112.4	L95 T96 L97 Y121	A93-L95 PolarHBondContact O-N 3.36Å; A93-T96 PolarHBondContact O-N 2.89Å; A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 VanDerWaalsContact O-CG 3.3Å; A93-L97 WeakPolarHBondContact O-CG 3.3Å; A93-L97 PolarHBondContact O-N 2.88Å; A93-Y121 HydrophobicContact CB-CE1 3.9Å
94	E	83.2	Confident	77.2	Confident	145 Å²	145	64.6 Å²	64.6	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-39.7	179.4	-59.8	77.7	-170.4	0	0	112	P92 R98	P92-E94 PolarHBondContact O-N 3.37Å; P92-E94 VanDerWaalsContact O-N 3.14Å; E94-R98 VanDerWaalsContact O-CB 3.29Å; E94-R98 WeakPolarHBondContact O-CB 3.41Å; E94-R98 PolarHBondContact O-N 2.78Å
95	L	79.1	Confident	79.1	Confident	49 Å²	49	65.9 Å²	65.9	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-70.7	-42.9	177.5	-69.7	-176.6	0	0	0	110.8	L34 P92 A93 R98 I99	L34-L95 HydrophobicContact CD1-CD1 4.35Å; L34-L95 HydrophobicContact CD2-CD1 4.1Å; P92-L95 HydrophobicContact CB-CG 4.5Å; P92-L95 HydrophobicContact CG-CD1 4.2Å; P92-L95 PolarHBondContact O-N 2.89Å; A93-L95 PolarHBondContact O-N 3.36Å; L95-R98 PolarHBondContact O-N 3.39Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 2.73Å
96	T	82	Confident	80.6	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-48.3	175.7	-58.7	0	0	0	0	111.3	V88 L91 P92 A93 R98 I99 F100 Y121	V88-T96 HydrophobicContact CG1-CG2 3.83Å; L91-T96 VanDerWaalsContact CB-OG1 3.29Å; L91-T96 WeakPolarHBondContact CB-OG1 3.49Å; P92-T96 PolarHBondContact O-N 3.21Å; P92-T96 PolarHBondContact O-OG1 3.34Å; A93-T96 PolarHBondContact O-N 2.89Å; T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.25Å; T96-I99 PolarHBondContact O-N 3.46Å; T96-F100 HydrophobicContact CG2-CD2 3.98Å; T96-F100 HydrophobicContact CG2-CE2 3.86Å; T96-F100 HydrophobicContact CG2-CZ 4.47Å; T96-F100 WeakPolarHBondContact O-CB 3.38Å; T96-F100 WeakPolarHBondContact O-CD2 3.29Å; T96-F100 PolarHBondContact O-N 3.15Å; T96-Y121 HydrophobicContact CG2-CD1 3.79Å; T96-Y121 HydrophobicContact CG2-CD2 3.65Å; T96-Y121 HydrophobicContact CG2-CE1 4.18Å; T96-Y121 HydrophobicContact CG2-CE2 4.03Å; T96-Y121 HydrophobicContact CG2-CG 3.51Å
97	L	86.8	Confident	81.6	Confident	31 Å²	31	72.1 Å²	72.1	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-39.3	176.9	-73	174.9	0	0	0	111.7	A93 F100 S101 Y121 H124 L127	A93-L97 WeakPolarHBondContact O-CB 3.29Å; A93-L97 VanDerWaalsContact O-CG 3.3Å; A93-L97 WeakPolarHBondContact O-CG 3.3Å; A93-L97 PolarHBondContact O-N 2.88Å; L97-F100 PolarHBondContact O-N 3.3Å; L97-S101 WeakPolarHBondContact O-CB 3.21Å; L97-S101 PolarHBondContact O-N 2.64Å; L97-Y121 HydrophobicContact CD2-CD1 4.02Å; L97-Y121 HydrophobicContact CG-CD1 4.16Å; L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.43Å; L97-L127 HydrophobicContact CD2-CG 4.36Å
98	R	82.8	Confident	82.3	Confident	157 Å²	157	68.8 Å²	68.8	59%	0.592	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-42.7	175.3	-171	172.7	-177.8	169	1.7	112	E94 L95 T96 S101 Y102	E94-R98 VanDerWaalsContact O-CB 3.29Å; E94-R98 WeakPolarHBondContact O-CB 3.41Å; E94-R98 PolarHBondContact O-N 2.78Å; L95-R98 PolarHBondContact O-N 3.39Å; T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.25Å; R98-S101 PolarHBondContact O-N 3.48Å; R98-S101 PolarHBondContact O-OG 2.88Å; R98-Y102 HydrophobicContact CG-CE2 4.06Å; R98-Y102 WeakPolarHBondContact O-CD2 3.32Å; R98-Y102 VanDerWaalsContact O-CE2 3.32Å; R98-Y102 WeakPolarHBondContact O-CE2 3.05Å
99	I	82.1	Confident	82.7	Confident	76 Å²	76	71.5 Å²	71.5	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-48.8	174.4	-68.2	163.8	0	0	0	110.1	L91 L95 T96 S101 Y102	L91-I99 HydrophobicContact CD1-CD1 3.59Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.46Å; L95-I99 PolarHBondContact O-N 2.73Å; T96-I99 PolarHBondContact O-N 3.46Å; I99-S101 PolarHBondContact O-N 3.36Å; I99-Y102 PolarHBondContact O-N 3.15Å; I99-Y102 VanDerWaalsContact O-N 3.15Å
100	F	86.4	Confident	83.1	Confident	3 Å²	3	72.1 Å²	72.1	1%	0.013	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-28.1	-178.6	-82.4	-131.4	0	0	0	112.1	V88 T96 L97 Y102 L103 L108 C111 W118 A122 L127	V88-F100 HydrophobicContact CG2-CE2 4.17Å; V88-F100 HydrophobicContact CG2-CZ 4.28Å; T96-F100 HydrophobicContact CG2-CD2 3.98Å; T96-F100 HydrophobicContact CG2-CE2 3.86Å; T96-F100 HydrophobicContact CG2-CZ 4.47Å; T96-F100 WeakPolarHBondContact O-CB 3.38Å; T96-F100 WeakPolarHBondContact O-CD2 3.29Å; T96-F100 PolarHBondContact O-N 3.15Å; L97-F100 PolarHBondContact O-N 3.3Å; F100-Y102 PolarHBondContact O-N 3.47Å; F100-L103 HydrophobicContact CG-CD1 4.35Å; F100-L103 WeakPolarHBondContact O-CB 2.95Å; F100-L103 PolarHBondContact O-N 2.86Å; F100-L108 HydrophobicContact CB-CD2 3.97Å; F100-L108 HydrophobicContact CD1-CD2 3.55Å; F100-L108 HydrophobicContact CE1-CD2 4.4Å; F100-L108 HydrophobicContact CG-CD2 4.08Å; F100-C111 HydrophobicContact CE1-CB 4.17Å; F100-W118 HydrophobicContact CE1-CE3 4.38Å; F100-W118 HydrophobicContact CZ-CD2 4.16Å; F100-W118 AromaticContact CZ-CE3 3.7Å; F100-W118 HydrophobicContact CZ-CE3 3.7Å; F100-W118 HydrophobicContact CZ-CZ3 4.07Å; F100-A122 HydrophobicContact CD1-CB 4.26Å; F100-A122 HydrophobicContact CE1-CB 4Å; F100-L127 HydrophobicContact CB-CD1 3.86Å; F100-L127 HydrophobicContact CB-CD2 4.21Å; F100-L127 HydrophobicContact CD1-CD1 4.44Å
101	S	86.2	Confident	83.4	Confident	42 Å²	42	64.8 Å²	64.8	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-21.9	176	77.9	0	0	0	0	114	L97 R98 I99	L97-S101 WeakPolarHBondContact O-CB 3.21Å; L97-S101 PolarHBondContact O-N 2.64Å; R98-S101 PolarHBondContact O-N 3.48Å; R98-S101 PolarHBondContact O-OG 2.88Å; I99-S101 PolarHBondContact O-N 3.36Å
102	Y	84.3	Confident	83.8	Confident	174 Å²	174	63.2 Å²	63.2	68%	0.682	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.1	174.1	-64.5	-68.8	0	0	0	113.5	R98 I99 F100	R98-Y102 HydrophobicContact CG-CE2 4.06Å; R98-Y102 WeakPolarHBondContact O-CD2 3.32Å; R98-Y102 VanDerWaalsContact O-CE2 3.32Å; R98-Y102 WeakPolarHBondContact O-CE2 3.05Å; I99-Y102 PolarHBondContact O-N 3.15Å; I99-Y102 VanDerWaalsContact O-N 3.15Å; F100-Y102 PolarHBondContact O-N 3.47Å
103	L	84.7	Confident	83.7	Confident	57 Å²	57	64.8 Å²	64.8	30%	0.298	33%	0.325	S	S	.	.	S	Bend	trans	-81.9	148.3	-178.7	-62.1	174.3	0	0	0	111.2	F100 L108 F131	F100-L103 HydrophobicContact CG-CD1 4.35Å; F100-L103 WeakPolarHBondContact O-CB 2.95Å; F100-L103 PolarHBondContact O-N 2.86Å; L103-L108 HydrophobicContact CB-CD2 4.07Å; L103-L108 HydrophobicContact CB-CG 4.13Å; L103-L108 HydrophobicContact CD1-CD2 4.02Å; L103-F131 WeakPolarHBondContact O-CZ 3.38Å
104	S	87.1	Confident	83.2	Confident	56 Å²	56	64.4 Å²	64.4	39%	0.392	32%	0.319	S	S	.	.			trans	-67.9	154	169.3	82.5	0	0	0	0	110.4	K106 S107 L108	S104-K106 PolarHBondContact O-N 2.99Å; S104-K106 VanDerWaalsContact O-N 3.14Å; S104-K106 PolarHBondContact OG-N 2.84Å; S104-S107 WeakPolarHBondContact O-CA 3.42Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.21Å; S104-S107 PolarHBondContact OG-N 2.77Å; S104-S107 VanDerWaalsContact OG-N 3.13Å; S104-S107 PolarHBondContact OG-OG 3.15Å; S104-L108 PolarHBondContact O-N 3.49Å
105	W	86.4	Confident	82.9	Confident	71 Å²	71	58.6 Å²	58.6	27%	0.269	29%	0.293	S	S	.	.	H	α-helix	trans	-58.6	-29	175.1	70.7	-93.6	0	0	0	113.2	S107 L108 T109 F131 W137 F185 V189	W105-S107 VanDerWaalsContact C-N 3.35Å; W105-L108 PolarHBondContact O-N 3.42Å; W105-T109 HydrophobicContact CE3-CG2 4.33Å; W105-T109 PolarHBondContact O-N 3.31Å; W105-T109 PolarHBondContact O-OG1 3.37Å; W105-F131 HydrophobicContact CB-CE2 4.38Å; W105-F131 HydrophobicContact CB-CZ 4.39Å; W105-W137 AromaticContact CD1-CZ2 3.99Å; W105-W137 AromaticContact NE1-CZ2 3.56Å; W105-F185 HydrophobicContact CB-CE1 3.65Å; W105-F185 HydrophobicContact CB-CZ 3.68Å; W105-F185 AromaticContact CD1-CZ 3.78Å; W105-F185 HydrophobicContact CD2-CE1 4.11Å; W105-F185 HydrophobicContact CD2-CZ 4.27Å; W105-F185 HydrophobicContact CE3-CE1 4.47Å; W105-F185 AromaticContact CG-CE1 3.76Å; W105-F185 HydrophobicContact CG-CE1 3.76Å; W105-F185 AromaticContact CG-CZ 3.63Å; W105-F185 HydrophobicContact CG-CZ 3.63Å; W105-V189 HydrophobicContact CH2-CG1 4.09Å; W105-V189 HydrophobicContact CZ2-CG1 4.34Å
106	K	86.6	Confident	82.8	Confident	135 Å²	135	64.9 Å²	64.9	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-68	-36.7	174	-65.1	-177.4	178	-178	0	111.8	S104 T109 V110	S104-K106 PolarHBondContact O-N 2.99Å; S104-K106 VanDerWaalsContact O-N 3.14Å; S104-K106 PolarHBondContact OG-N 2.84Å; K106-T109 VanDerWaalsContact C-OG1 3.31Å; K106-T109 WeakPolarHBondContact CA-OG1 3.16Å; K106-T109 PolarHBondContact O-OG1 3.11Å; K106-V110 WeakPolarHBondContact O-CG2 3.14Å; K106-V110 PolarHBondContact O-N 3.42Å
107	S	85.7	Confident	82.7	Confident	47 Å²	47	66.6 Å²	66.6	33%	0.329	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-41.3	173.9	-52.3	0	0	0	0	110	S104 W105 T109 V110 C111	S104-S107 WeakPolarHBondContact O-CA 3.42Å; S104-S107 WeakPolarHBondContact O-CB 3.46Å; S104-S107 PolarHBondContact O-N 3.21Å; S104-S107 PolarHBondContact OG-N 2.77Å; S104-S107 VanDerWaalsContact OG-N 3.13Å; S104-S107 PolarHBondContact OG-OG 3.15Å; W105-S107 VanDerWaalsContact C-N 3.35Å; S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 3.48Å; S107-V110 WeakPolarHBondContact O-CB 3.44Å; S107-V110 PolarHBondContact O-N 2.86Å; S107-V110 VanDerWaalsContact O-N 3.11Å; S107-C111 PolarHBondContact O-N 3.27Å; S107-C111 PolarHBondContact O-SG 3.22Å
108	L	86.6	Confident	82.6	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-33.2	176.2	-67.5	173.6	0	0	0	113.2	F100 L103 S104 W105 C111 S112 A122 L127 F131	F100-L108 HydrophobicContact CB-CD2 3.97Å; F100-L108 HydrophobicContact CD1-CD2 3.55Å; F100-L108 HydrophobicContact CE1-CD2 4.4Å; F100-L108 HydrophobicContact CG-CD2 4.08Å; L103-L108 HydrophobicContact CB-CD2 4.07Å; L103-L108 HydrophobicContact CB-CG 4.13Å; L103-L108 HydrophobicContact CD1-CD2 4.02Å; S104-L108 PolarHBondContact O-N 3.49Å; W105-L108 PolarHBondContact O-N 3.42Å; L108-C111 WeakPolarHBondContact O-CB 3.07Å; L108-C111 PolarHBondContact O-N 3.24Å; L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.15Å; L108-A122 HydrophobicContact CD2-CB 4.43Å; L108-A122 WeakPolarHBondContact O-CB 3.26Å; L108-L127 HydrophobicContact CD1-CD1 4.15Å; L108-L127 HydrophobicContact CD2-CD1 4.16Å; L108-F131 HydrophobicContact CD1-CE2 3.41Å; L108-F131 VanDerWaalsContact CD1-CE2 3.41Å; L108-F131 HydrophobicContact CD1-CZ 3.7Å
109	T	82.9	Confident	82.6	Confident	56 Å²	56	61.3 Å²	61.3	34%	0.344	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-43.7	172.4	44.5	0	0	0	0	111.4	W105 K106 S107 S112	W105-T109 HydrophobicContact CE3-CG2 4.33Å; W105-T109 PolarHBondContact O-N 3.31Å; W105-T109 PolarHBondContact O-OG1 3.37Å; K106-T109 VanDerWaalsContact C-OG1 3.31Å; K106-T109 WeakPolarHBondContact CA-OG1 3.16Å; K106-T109 PolarHBondContact O-OG1 3.11Å; S107-T109 VanDerWaalsContact C-N 3.3Å; S107-T109 PolarHBondContact O-N 3.48Å; T109-S112 WeakPolarHBondContact O-CB 3.22Å; T109-S112 PolarHBondContact O-N 3.15Å; T109-S112 PolarHBondContact O-OG 2.84Å
110	V	81.3	Confident	82.8	Confident	89 Å²	89	64.6 Å²	64.6	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-43.6	175.2	179	0	0	0	0	110.8	K106 S107 S112 E113	K106-V110 WeakPolarHBondContact O-CG2 3.14Å; K106-V110 PolarHBondContact O-N 3.42Å; S107-V110 WeakPolarHBondContact O-CB 3.44Å; S107-V110 PolarHBondContact O-N 2.86Å; S107-V110 VanDerWaalsContact O-N 3.11Å; V110-S112 PolarHBondContact O-N 3.41Å; V110-E113 WeakPolarHBondContact O-CB 3.37Å; V110-E113 PolarHBondContact O-N 3.06Å
111	C	79.6	Confident	82.9	Confident	14 Å²	14	66.1 Å²	66.1	10%	0.095	33%	0.33	C	S	.	.	H	α-helix	trans	-55	-39.3	173.5	-68.4	0	0	0	0	112.1	F100 S107 L108 E113 V114 W118 A122	F100-C111 HydrophobicContact CE1-CB 4.17Å; S107-C111 PolarHBondContact O-N 3.27Å; S107-C111 PolarHBondContact O-SG 3.22Å; L108-C111 WeakPolarHBondContact O-CB 3.07Å; L108-C111 PolarHBondContact O-N 3.24Å; C111-E113 PolarHBondContact O-N 3.18Å; C111-E113 VanDerWaalsContact O-N 3.15Å; C111-V114 PolarHBondContact O-N 2.93Å; C111-V114 VanDerWaalsContact O-N 3.15Å; C111-W118 HydrophobicContact CB-CE3 3.75Å; C111-W118 HydrophobicContact CB-CZ3 4.24Å; C111-W118 VanDerWaalsContact O-CB 3.22Å; C111-W118 WeakPolarHBondContact O-CB 3.49Å; C111-A122 HydrophobicContact CB-CB 4.09Å
112	S	82.6	Confident	82.9	Confident	18 Å²	18	64.1 Å²	64.1	13%	0.126	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.9	-179.5	81.4	0	0	0	0	114	L108 T109 V110	L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.15Å; T109-S112 WeakPolarHBondContact O-CB 3.22Å; T109-S112 PolarHBondContact O-N 3.15Å; T109-S112 PolarHBondContact O-OG 2.84Å; V110-S112 PolarHBondContact O-N 3.41Å
113	E	79.1	Confident	83.1	Confident	102 Å²	102	61.9 Å²	61.9	48%	0.477	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.8	178.8	-61.9	170.7	-179.9	0	0	112.6	T72 V110 C111	T72-E113 CarbonylContact C-O 3.25Å; T72-E113 VanDerWaalsContact C-O 3.25Å; T72-E113 WeakPolarHBondContact CA-O 3.2Å; T72-E113 WeakPolarHBondContact CB-O 3.4Å; T72-E113 HydrophobicContact CG2-CB 3.61Å; T72-E113 HydrophobicContact CG2-CG 4.44Å; V110-E113 WeakPolarHBondContact O-CB 3.37Å; V110-E113 PolarHBondContact O-N 3.06Å; C111-E113 PolarHBondContact O-N 3.18Å; C111-E113 VanDerWaalsContact O-N 3.15Å
114	V	72.8	Confident	83.4	Confident	29 Å²	29	61.8 Å²	61.8	18%	0.176	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-61.3	-176.2	178.3	0	0	0	0	111.9	L68 C111 W118	L68-V114 HydrophobicContact CD2-CG2 4.4Å; C111-V114 PolarHBondContact O-N 2.93Å; C111-V114 VanDerWaalsContact O-N 3.15Å; V114-W118 HydrophobicContact CB-CB 4.11Å; V114-W118 HydrophobicContact CB-CD2 4.12Å; V114-W118 HydrophobicContact CB-CE3 4.43Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.16Å; V114-W118 HydrophobicContact CG1-CG 4.13Å; V114-W118 HydrophobicContact CG2-CD2 4.36Å; V114-W118 HydrophobicContact CG2-CE3 4.2Å
115	N	75.5	Confident	83.4	Confident	24 Å²	24	61.1 Å²	61.1	13%	0.128	30%	0.298	C	S	.	.			trans	-159.4	-178.2	178.5	73.6	31.6	0	0	0	111.8	H75 D86 S117 W118 L119	H75-N115 HydrophobicContact CB-CB 3.91Å; D86-N115 PolarHBondContact OD2-ND2 3.01Å; N115-S117 PolarHBondContact O-N 2.93Å; N115-S117 WeakPolarHBondContact OD1-CA 3.43Å; N115-S117 WeakPolarHBondContact OD1-CB 3.34Å; N115-S117 PolarHBondContact OD1-N 3.13Å; N115-W118 PolarHBondContact O-N 2.92Å; N115-W118 PolarHBondContact OD1-N 2.82Å; N115-L119 WeakPolarHBondContact O-CB 3.48Å; N115-L119 PolarHBondContact O-N 3.11Å
116	K	78.2	Confident	83.4	Confident	180 Å²	180	61.9 Å²	61.9	78%	0.783	31%	0.308	S	S	*	.	H	α-helix	trans	-63.1	-39	-178.7	-69	-175.8	-179	176.7	0	113.9	K120	K116-K120 WeakPolarHBondContact O-CB 3.34Å; K116-K120 PolarHBondContact O-N 3.43Å
117	S	78.9	Confident	83.5	Confident	38 Å²	38	55.8 Å²	55.8	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-48.3	179.1	-56.6	0	0	0	0	110.6	T89 N115 L119 K120 Y121	T89-S117 VanDerWaalsContact CG2-OG 3.29Å; T89-S117 WeakPolarHBondContact CG2-OG 3.18Å; N115-S117 PolarHBondContact O-N 2.93Å; N115-S117 WeakPolarHBondContact OD1-CA 3.43Å; N115-S117 WeakPolarHBondContact OD1-CB 3.34Å; N115-S117 PolarHBondContact OD1-N 3.13Å; S117-L119 PolarHBondContact O-N 3.36Å; S117-K120 WeakPolarHBondContact O-CB 3.44Å; S117-K120 PolarHBondContact O-N 2.94Å; S117-Y121 WeakPolarHBondContact O-CD2 3.48Å; S117-Y121 PolarHBondContact O-N 3.41Å; S117-Y121 VanDerWaalsContact O-N 3.11Å
118	W	84.2	Confident	83.7	Confident	18 Å²	18	54 Å²	54	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-41.1	176	-72.7	61.6	0	0	0	111.9	L68 D86 F87 V88 F100 C111 V114 N115 K120 Y121 A122	L68-W118 HydrophobicContact CD2-CH2 3.62Å; L68-W118 HydrophobicContact CD2-CZ2 4.06Å; L68-W118 HydrophobicContact CD2-CZ3 4.07Å; D86-W118 PolarHBondContact OD1-NE1 2.95Å; D86-W118 PolarHBondContact OD2-NE1 3.37Å; F87-W118 HydrophobicContact CD1-CZ2 4.32Å; F87-W118 AromaticContact CE1-CH2 3.82Å; F87-W118 HydrophobicContact CE1-CH2 3.82Å; F87-W118 AromaticContact CE1-CZ2 3.46Å; F87-W118 HydrophobicContact CE1-CZ2 3.46Å; F87-W118 VanDerWaalsContact CE1-CZ2 3.46Å; F87-W118 AromaticContact CZ-CH2 3.92Å; F87-W118 HydrophobicContact CZ-CH2 3.92Å; F87-W118 AromaticContact CZ-CZ2 3.84Å; F87-W118 HydrophobicContact CZ-CZ2 3.84Å; V88-W118 HydrophobicContact CG2-CD2 3.97Å; V88-W118 HydrophobicContact CG2-CG 4.34Å; V88-W118 HydrophobicContact CG2-CH2 4.28Å; V88-W118 HydrophobicContact CG2-CZ2 3.57Å; F100-W118 HydrophobicContact CE1-CE3 4.38Å; F100-W118 HydrophobicContact CZ-CD2 4.16Å; F100-W118 AromaticContact CZ-CE3 3.7Å; F100-W118 HydrophobicContact CZ-CE3 3.7Å; F100-W118 HydrophobicContact CZ-CZ3 4.07Å; C111-W118 HydrophobicContact CB-CE3 3.75Å; C111-W118 HydrophobicContact CB-CZ3 4.24Å; C111-W118 VanDerWaalsContact O-CB 3.22Å; C111-W118 WeakPolarHBondContact O-CB 3.49Å; V114-W118 HydrophobicContact CB-CB 4.11Å; V114-W118 HydrophobicContact CB-CD2 4.12Å; V114-W118 HydrophobicContact CB-CE3 4.43Å; V114-W118 HydrophobicContact CB-CG 4.01Å; V114-W118 HydrophobicContact CG1-CD2 4.16Å; V114-W118 HydrophobicContact CG1-CG 4.13Å; V114-W118 HydrophobicContact CG2-CD2 4.36Å; V114-W118 HydrophobicContact CG2-CE3 4.2Å; N115-W118 PolarHBondContact O-N 2.92Å; N115-W118 PolarHBondContact OD1-N 2.82Å; W118-K120 VanDerWaalsContact C-N 3.32Å; W118-K120 PolarHBondContact O-N 3.14Å; W118-Y121 PolarHBondContact O-N 3.17Å; W118-A122 WeakPolarHBondContact O-CB 3.39Å; W118-A122 PolarHBondContact O-N 3.35Å
119	L	84	Confident	83.7	Confident	58 Å²	58	58.7 Å²	58.7	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-44.7	173.2	175.6	64.6	0	0	0	111.7	N115 S117 R123	N115-L119 WeakPolarHBondContact O-CB 3.48Å; N115-L119 PolarHBondContact O-N 3.11Å; S117-L119 PolarHBondContact O-N 3.36Å; L119-R123 HydrophobicContact CD1-CG 4.06Å; L119-R123 VanDerWaalsContact CD1-NE 3.3Å; L119-R123 VanDerWaalsContact O-CB 3.31Å; L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 WeakPolarHBondContact O-CG 3.04Å; L119-R123 PolarHBondContact O-N 3.1Å
120	K	86.1	Confident	83.8	Confident	146 Å²	146	60.6 Å²	60.6	64%	0.635	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-48.7	178.7	-177.1	-175.8	177.2	-175.2	0	111.5	K116 S117 W118 H124	K116-K120 WeakPolarHBondContact O-CB 3.34Å; K116-K120 PolarHBondContact O-N 3.43Å; S117-K120 WeakPolarHBondContact O-CB 3.44Å; S117-K120 PolarHBondContact O-N 2.94Å; W118-K120 VanDerWaalsContact C-N 3.32Å; W118-K120 PolarHBondContact O-N 3.14Å; K120-H124 PolarHBondContact O-N 3.19Å
121	Y	87.3	Confident	84	Confident	35 Å²	35	57.1 Å²	57.1	14%	0.137	27%	0.271	C	S	.	.	H	α-helix	trans	-75.6	-39.5	-178.8	-70.1	-68.9	0	0	0	112.9	V88 A93 T96 L97 S117 W118 R123 H124 L127	V88-Y121 HydrophobicContact CG1-CD2 3.43Å; V88-Y121 VanDerWaalsContact CG1-CD2 3.43Å; V88-Y121 HydrophobicContact CG1-CE2 3.75Å; V88-Y121 HydrophobicContact CG1-CG 4.46Å; A93-Y121 HydrophobicContact CB-CE1 3.9Å; T96-Y121 HydrophobicContact CG2-CD1 3.79Å; T96-Y121 HydrophobicContact CG2-CD2 3.65Å; T96-Y121 HydrophobicContact CG2-CE1 4.18Å; T96-Y121 HydrophobicContact CG2-CE2 4.03Å; T96-Y121 HydrophobicContact CG2-CG 3.51Å; L97-Y121 HydrophobicContact CD2-CD1 4.02Å; L97-Y121 HydrophobicContact CG-CD1 4.16Å; S117-Y121 WeakPolarHBondContact O-CD2 3.48Å; S117-Y121 PolarHBondContact O-N 3.41Å; S117-Y121 VanDerWaalsContact O-N 3.11Å; W118-Y121 PolarHBondContact O-N 3.17Å; Y121-R123 PolarHBondContact O-N 3.39Å; Y121-H124 VanDerWaalsContact O-CB 3.26Å; Y121-H124 WeakPolarHBondContact O-CB 3.35Å; Y121-H124 PolarHBondContact O-N 2.89Å; Y121-H124 VanDerWaalsContact O-N 3.15Å; Y121-L127 WeakPolarHBondContact O-CD1 3.31Å
122	A	88.1	Confident	84.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-31.6	176.8	0	0	0	0	0	112.5	F100 L108 C111 W118 Y128	F100-A122 HydrophobicContact CD1-CB 4.26Å; F100-A122 HydrophobicContact CE1-CB 4Å; L108-A122 HydrophobicContact CD2-CB 4.43Å; L108-A122 WeakPolarHBondContact O-CB 3.26Å; C111-A122 HydrophobicContact CB-CB 4.09Å; W118-A122 WeakPolarHBondContact O-CB 3.39Å; W118-A122 PolarHBondContact O-N 3.35Å; A122-Y128 WeakPolarHBondContact O-CE2 3.47Å; A122-Y128 PolarHBondContact O-OH 3.48Å
123	R	88.5	Confident	84.3	Confident	126 Å²	126	62.2 Å²	62.2	48%	0.475	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	10.7	177.9	-66.6	-170.2	177.3	176.4	4.6	114.1	L119 Y121 L182	L119-R123 HydrophobicContact CD1-CG 4.06Å; L119-R123 VanDerWaalsContact CD1-NE 3.3Å; L119-R123 VanDerWaalsContact O-CB 3.31Å; L119-R123 WeakPolarHBondContact O-CB 3.48Å; L119-R123 WeakPolarHBondContact O-CG 3.04Å; L119-R123 PolarHBondContact O-N 3.1Å; Y121-R123 PolarHBondContact O-N 3.39Å; R123-L182 HydrophobicContact CB-CD2 4.36Å; R123-L182 HydrophobicContact CG-CD2 4.34Å
124	H	89.4	Confident	84.5	Confident	55 Å²	55	60.4 Å²	60.4	26%	0.255	29%	0.286	S	S	.	.			trans	-63.6	131.3	-176.8	-163.3	-90.2	0	0	0	111.8	L97 K120 Y121 D126 L127 Y128	L97-H124 HydrophobicContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CB 3.45Å; L97-H124 VanDerWaalsContact CD2-CG 3.43Å; K120-H124 PolarHBondContact O-N 3.19Å; Y121-H124 VanDerWaalsContact O-CB 3.26Å; Y121-H124 WeakPolarHBondContact O-CB 3.35Å; Y121-H124 PolarHBondContact O-N 2.89Å; Y121-H124 VanDerWaalsContact O-N 3.15Å; H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 IonicContact CE1-OD2 2.69Å; H124-D126 PolarHBondContact CE1-OD2 3.06Å; H124-D126 PolarHBondContact ND1-N 3.15Å; H124-D126 IonicContact ND1-OD2 3.58Å; H124-D126 PolarHBondContact O-N 2.91Å; H124-D126 VanDerWaalsContact O-N 3.17Å; H124-L127 HydrophobicContact CB-CD1 4.45Å; H124-L127 HydrophobicContact CB-CG 4.42Å; H124-L127 PolarHBondContact O-N 3Å; H124-L127 VanDerWaalsContact O-N 3.15Å; H124-Y128 WeakPolarHBondContact O-CD2 3.2Å
125	P	87.6	Confident	84.7	Confident	42 Å²	42	64.2 Å²	64.2	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-54.2	-38.3	-175.3	-27.6	34.4	0	0	0	114	L127 Y128 K129	P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.07Å; P125-Y128 CarbonylContact O-C 3.57Å; P125-Y128 PolarHBondContact O-N 3.38Å; P125-Y128 VanDerWaalsContact O-N 3.1Å; P125-K129 WeakPolarHBondContact O-CB 3.47Å; P125-K129 PolarHBondContact O-N 3.41Å
126	D	87	Confident	84.9	Confident	88 Å²	88	69.1 Å²	69.1	47%	0.471	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-32.8	-178.2	-69.3	-27.5	0	0	0	114.1	H124 Y128 K129 H130	H124-D126 VanDerWaalsContact C-N 3.26Å; H124-D126 IonicContact CE1-OD2 2.69Å; H124-D126 PolarHBondContact CE1-OD2 3.06Å; H124-D126 PolarHBondContact ND1-N 3.15Å; H124-D126 IonicContact ND1-OD2 3.58Å; H124-D126 PolarHBondContact O-N 2.91Å; H124-D126 VanDerWaalsContact O-N 3.17Å; D126-Y128 VanDerWaalsContact C-N 3.33Å; D126-K129 PolarHBondContact O-N 3.31Å; D126-H130 WeakPolarHBondContact O-CB 3.42Å; D126-H130 PolarHBondContact O-N 2.95Å
127	L	88	Confident	85.2	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.1	-64.2	179	0	0	0	110.2	L97 F100 L108 Y121 H124 P125 H130 F131	L97-L127 HydrophobicContact CD2-CG 4.36Å; F100-L127 HydrophobicContact CB-CD1 3.86Å; F100-L127 HydrophobicContact CB-CD2 4.21Å; F100-L127 HydrophobicContact CD1-CD1 4.44Å; L108-L127 HydrophobicContact CD1-CD1 4.15Å; L108-L127 HydrophobicContact CD2-CD1 4.16Å; Y121-L127 WeakPolarHBondContact O-CD1 3.31Å; H124-L127 HydrophobicContact CB-CD1 4.45Å; H124-L127 HydrophobicContact CB-CG 4.42Å; H124-L127 PolarHBondContact O-N 3Å; H124-L127 VanDerWaalsContact O-N 3.15Å; P125-L127 VanDerWaalsContact C-N 3.3Å; P125-L127 PolarHBondContact O-N 3.07Å; L127-H130 WeakPolarHBondContact O-CB 3.29Å; L127-H130 PolarHBondContact O-N 2.89Å; L127-F131 HydrophobicContact CB-CE2 4.43Å; L127-F131 WeakPolarHBondContact O-CD2 3.47Å; L127-F131 PolarHBondContact O-N 3.39Å
128	Y	89.3	Confident	85.4	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-77.5	-29.7	-179.5	-62.5	-80.6	0	0	0	113	A122 H124 P125 D126 F131 C132 L182 F185	A122-Y128 WeakPolarHBondContact O-CE2 3.47Å; A122-Y128 PolarHBondContact O-OH 3.48Å; H124-Y128 WeakPolarHBondContact O-CD2 3.2Å; P125-Y128 CarbonylContact O-C 3.57Å; P125-Y128 PolarHBondContact O-N 3.38Å; P125-Y128 VanDerWaalsContact O-N 3.1Å; D126-Y128 VanDerWaalsContact C-N 3.33Å; Y128-F131 HydrophobicContact CD1-CD2 4.12Å; Y128-F131 PolarHBondContact O-N 2.68Å; Y128-C132 WeakPolarHBondContact O-CB 3.43Å; Y128-C132 PolarHBondContact O-N 3.4Å; Y128-C132 PolarHBondContact O-SG 2.68Å; Y128-L182 HydrophobicContact CD1-CD1 3.86Å; Y128-L182 HydrophobicContact CD2-CB 4.14Å; Y128-L182 HydrophobicContact CD2-CD1 3.94Å; Y128-L182 HydrophobicContact CE1-CD1 3.5Å; Y128-L182 HydrophobicContact CE2-CD1 3.64Å; Y128-L182 HydrophobicContact CG-CB 4.26Å; Y128-L182 HydrophobicContact CG-CD1 4.05Å; Y128-F185 HydrophobicContact CD1-CB 3.8Å; Y128-F185 AromaticContact CD1-CD1 3.65Å; Y128-F185 HydrophobicContact CD1-CD1 3.65Å; Y128-F185 HydrophobicContact CD1-CE1 4.4Å; Y128-F185 AromaticContact CD1-CG 3.75Å; Y128-F185 HydrophobicContact CD1-CG 3.75Å; Y128-F185 AromaticContact CE1-CD1 3.86Å; Y128-F185 HydrophobicContact CE1-CD1 3.86Å; Y128-F185 HydrophobicContact CE1-CE1 4.35Å; Y128-F185 HydrophobicContact CE1-CG 4.43Å; Y128-F185 HydrophobicContact CG-CB 4.48Å
129	K	87.3	Confident	85.1	Confident	99 Å²	99	62.1 Å²	62.1	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-58	-53.2	166	-175.4	178.3	179.4	-177.1	0	109	P125 D126 F131 C132 M133 W181	P125-K129 WeakPolarHBondContact O-CB 3.47Å; P125-K129 PolarHBondContact O-N 3.41Å; D126-K129 PolarHBondContact O-N 3.31Å; K129-F131 PolarHBondContact O-N 3Å; K129-C132 PolarHBondContact O-N 3.11Å; K129-C132 VanDerWaalsContact O-N 3.13Å; K129-M133 VanDerWaalsContact O-CG 3.29Å; K129-M133 WeakPolarHBondContact O-CG 3.33Å; K129-M133 PolarHBondContact O-N 3.2Å; K129-M133 VanDerWaalsContact O-N 3.11Å; K129-W181 HydrophobicContact CB-CB 4.37Å; K129-W181 HydrophobicContact CB-CD2 3.79Å; K129-W181 HydrophobicContact CB-CE3 4.43Å; K129-W181 HydrophobicContact CB-CG 3.73Å; K129-W181 HydrophobicContact CD-CZ2 4.31Å; K129-W181 HydrophobicContact CG-CD2 3.97Å; K129-W181 HydrophobicContact CG-CG 4.36Å; K129-W181 HydrophobicContact CG-CH2 4.47Å; K129-W181 HydrophobicContact CG-CZ2 3.94Å
130	H	84.8	Confident	84.7	Confident	96 Å²	96	59.8 Å²	59.8	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-56.3	-48.3	177.4	179.6	72.4	0	0	0	112.1	D126 L127 C132 M133 L134	D126-H130 WeakPolarHBondContact O-CB 3.42Å; D126-H130 PolarHBondContact O-N 2.95Å; L127-H130 WeakPolarHBondContact O-CB 3.29Å; L127-H130 PolarHBondContact O-N 2.89Å; H130-C132 VanDerWaalsContact C-N 3.34Å; H130-C132 PolarHBondContact O-N 2.82Å; H130-M133 PolarHBondContact O-N 3.08Å; H130-M133 VanDerWaalsContact O-N 3.07Å; H130-L134 PolarHBondContact O-N 3.11Å
131	F	85.8	Confident	83.9	Confident	16 Å²	16	56.8 Å²	56.8	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-56.6	-48.6	175.3	-72.4	-55.9	0	0	0	111.7	L103 W105 L108 L127 Y128 K129 M133 L134 W137 F185	L103-F131 WeakPolarHBondContact O-CZ 3.38Å; W105-F131 HydrophobicContact CB-CE2 4.38Å; W105-F131 HydrophobicContact CB-CZ 4.39Å; L108-F131 HydrophobicContact CD1-CE2 3.41Å; L108-F131 VanDerWaalsContact CD1-CE2 3.41Å; L108-F131 HydrophobicContact CD1-CZ 3.7Å; L127-F131 HydrophobicContact CB-CE2 4.43Å; L127-F131 WeakPolarHBondContact O-CD2 3.47Å; L127-F131 PolarHBondContact O-N 3.39Å; Y128-F131 HydrophobicContact CD1-CD2 4.12Å; Y128-F131 PolarHBondContact O-N 2.68Å; K129-F131 PolarHBondContact O-N 3Å; F131-M133 PolarHBondContact O-N 3.4Å; F131-M133 VanDerWaalsContact O-N 3.1Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.5Å; F131-L134 PolarHBondContact O-N 3.23Å; F131-W137 VanDerWaalsContact O-CB 3.27Å; F131-W137 WeakPolarHBondContact O-CB 3.21Å; F131-F185 HydrophobicContact CB-CD2 3.72Å; F131-F185 HydrophobicContact CB-CE2 3.56Å; F131-F185 HydrophobicContact CB-CZ 4.39Å; F131-F185 HydrophobicContact CG-CE2 4.06Å; F131-F185 HydrophobicContact CG-CZ 4.44Å
132	C	86.3	Confident	82.6	Confident	4 Å²	4	57.7 Å²	57.7	3%	0.027	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-12	179.3	-76.5	0	0	0	0	114.6	Y128 K129 H130 S138 W181 R188	Y128-C132 WeakPolarHBondContact O-CB 3.43Å; Y128-C132 PolarHBondContact O-N 3.4Å; Y128-C132 PolarHBondContact O-SG 2.68Å; K129-C132 PolarHBondContact O-N 3.11Å; K129-C132 VanDerWaalsContact O-N 3.13Å; H130-C132 VanDerWaalsContact C-N 3.34Å; H130-C132 PolarHBondContact O-N 2.82Å; C132-S138 WeakPolarHBondContact O-CA 3.27Å; C132-W181 HydrophobicContact CB-CE3 3.85Å; C132-W181 HydrophobicContact CB-CZ3 3.95Å; C132-R188 VanDerWaalsContact CB-NH1 3.3Å; C132-R188 PolarHBondContact O-NH1 3.13Å
133	M	82.9	Confident	81	Confident	135 Å²	135	67.2 Å²	67.2	67%	0.665	33%	0.326	S	S	*	.	H	α-helix	trans	-92.5	-16.8	172.6	-61	-58	-77.9	0	0	113	K129 H130 F131	K129-M133 VanDerWaalsContact O-CG 3.29Å; K129-M133 WeakPolarHBondContact O-CG 3.33Å; K129-M133 PolarHBondContact O-N 3.2Å; K129-M133 VanDerWaalsContact O-N 3.11Å; H130-M133 PolarHBondContact O-N 3.08Å; H130-M133 VanDerWaalsContact O-N 3.07Å; F131-M133 PolarHBondContact O-N 3.4Å; F131-M133 VanDerWaalsContact O-N 3.1Å
134	L	82.6	Confident	78.9	Confident	64 Å²	64	66.1 Å²	66.1	34%	0.335	33%	0.325	S	S	.	.	S	Bend	trans	-67.5	140.3	175	-62.4	173.8	0	0	0	109.5	H130 F131 K136 W137 S138	H130-L134 PolarHBondContact O-N 3.11Å; F131-L134 HydrophobicContact CD1-CD1 4Å; F131-L134 WeakPolarHBondContact O-CB 3.5Å; F131-L134 PolarHBondContact O-N 3.23Å; L134-K136 PolarHBondContact O-N 3.43Å; L134-W137 CarbonylContact O-C 3.49Å; L134-W137 PolarHBondContact O-N 2.89Å; L134-S138 PolarHBondContact O-N 3.1Å
135	P	77.5	Confident	76.1	Confident	108 Å²	108	67.4 Å²	67.4	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.9	-179.7	-27.7	34	0	0	0	113.9	W137 S138	P135-W137 PolarHBondContact O-N 3.47Å; P135-S138 PolarHBondContact O-OG 3.26Å; P135-S138 VanDerWaalsContact O-OG 3.06Å
136	K	80	Confident	73.3	Confident	127 Å²	127	72.9 Å²	72.9	55%	0.552	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26	176.5	-173.3	174.7	-179.5	172.4	0	113.5	L134 R192	L134-K136 PolarHBondContact O-N 3.43Å; K136-R192 PolarHBondContact O-NE 2.79Å; K136-R192 VanDerWaalsContact O-NE 3.08Å; K136-R192 PolarHBondContact O-NH1 2.95Å; K136-R192 PolarHBondContact O-NH2 2.97Å
137	W	82.7	Confident	70.7	Confident	21 Å²	21	74.6 Å²	74.6	8%	0.08	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	11.7	-176	-61.6	113.4	0	0	0	111.9	W105 F131 L134 P135 F185 R188 V189 R192	W105-W137 AromaticContact CD1-CZ2 3.99Å; W105-W137 AromaticContact NE1-CZ2 3.56Å; F131-W137 VanDerWaalsContact O-CB 3.27Å; F131-W137 WeakPolarHBondContact O-CB 3.21Å; L134-W137 CarbonylContact O-C 3.49Å; L134-W137 PolarHBondContact O-N 2.89Å; P135-W137 PolarHBondContact O-N 3.47Å; W137-F185 HydrophobicContact CB-CD2 4.45Å; W137-F185 HydrophobicContact CB-CE2 4.14Å; W137-F185 AromaticContact CD1-CE2 3.81Å; W137-F185 HydrophobicContact CD2-CD2 4.35Å; W137-F185 AromaticContact CD2-CE2 3.48Å; W137-F185 HydrophobicContact CD2-CE2 3.48Å; W137-F185 VanDerWaalsContact CD2-CE2 3.48Å; W137-F185 HydrophobicContact CD2-CZ 4.06Å; W137-F185 AromaticContact CE2-CE2 3.7Å; W137-F185 AromaticContact CE2-CZ 3.84Å; W137-F185 AromaticContact CE3-CE2 3.95Å; W137-F185 HydrophobicContact CE3-CE2 3.95Å; W137-F185 HydrophobicContact CE3-CZ 4.44Å; W137-F185 HydrophobicContact CG-CD2 4.33Å; W137-F185 AromaticContact CG-CE2 3.58Å; W137-F185 HydrophobicContact CG-CE2 3.58Å; W137-F185 HydrophobicContact CG-CZ 4.48Å; W137-F185 HydrophobicContact CH2-CZ 4.48Å; W137-F185 HydrophobicContact CZ2-CE2 4.35Å; W137-F185 HydrophobicContact CZ2-CZ 4.08Å; W137-F185 AromaticContact NE1-CE2 3.86Å; W137-R188 HydrophobicContact CE3-CB 4.22Å; W137-R188 WeakPolarHBondContact O-CD 3.33Å; W137-R188 PolarHBondContact O-NH1 3.03Å; W137-V189 HydrophobicContact CE3-CG2 4.31Å; W137-V189 HydrophobicContact CH2-CB 4.29Å; W137-V189 HydrophobicContact CH2-CG2 3.55Å; W137-V189 HydrophobicContact CZ2-CG2 4.34Å; W137-V189 HydrophobicContact CZ3-CB 4.16Å; W137-V189 HydrophobicContact CZ3-CG2 3.53Å; W137-R192 HydrophobicContact CZ3-CG 4.46Å
138	S	83	Confident	67.6	Low	32 Å²	32	83.1 Å²	83.1	22%	0.224	41%	0.406	C	S	.	.	S	Bend	trans	-67	172.7	174.7	63.4	0	0	0	0	110.9	C132 L134 P135 W537	C132-S138 WeakPolarHBondContact O-CA 3.27Å; L134-S138 PolarHBondContact O-N 3.1Å; P135-S138 PolarHBondContact O-OG 3.26Å; P135-S138 VanDerWaalsContact O-OG 3.06Å; S138-W537 VanDerWaalsContact O-CE2 3.26Å; S138-W537 WeakPolarHBondContact O-CZ2 3.03Å; S138-W537 PolarHBondContact O-NE1 3.05Å; S138-W537 VanDerWaalsContact O-NE1 3.15Å
139	S	79	Confident	64.5	Low	36 Å²	36	89.6 Å²	89.6	25%	0.252	44%	0.441	S	S	.	.			trans	-56.6	134.6	172.5	-157	0	0	0	0	110	I141 E289	S139-I141 PolarHBondContact O-N 3.21Å; S139-E289 WeakPolarHBondContact CB-OE1 3.29Å; S139-E289 PolarHBondContact OG-OE1 3.25Å
140	P	74.8	Confident	61.6	Low	9 Å²	9	86.8 Å²	86.8	6%	0.058	44%	0.44	C	S	.	.	S	Bend	trans	-66.4	-29.3	173.5	24.4	-32.4	0	0	0	111.7	L142 D535 A536 W537	P140-L142 PolarHBondContact O-N 3.49Å; P140-L142 VanDerWaalsContact O-N 3.13Å; P140-D535 VanDerWaalsContact O-CB 3.3Å; P140-D535 WeakPolarHBondContact O-CB 3.38Å; P140-A536 WeakPolarHBondContact O-CB 3.48Å; P140-A536 PolarHBondContact O-N 3.24Å; P140-W537 HydrophobicContact CB-CD2 3.84Å; P140-W537 HydrophobicContact CB-CE3 4.07Å; P140-W537 HydrophobicContact CB-CG 4.12Å
141	I	70.6	Confident	58.8	Low	83 Å²	83	89.5 Å²	89.5	43%	0.426	46%	0.457	S	S	.	.	S	Bend	trans	-68.5	112.5	-175.6	-58.9	170.7	0	0	0	109.7	S139 R143	S139-I141 PolarHBondContact O-N 3.21Å; I141-R143 PolarHBondContact O-N 3.39Å; I141-R143 VanDerWaalsContact O-N 3.09Å
142	L	60.3	Low	55.9	Low	55 Å²	55	95.1 Å²	95.1	29%	0.288	49%	0.492	S	S	.	.			trans	-70.3	101.5	170.6	-68.7	171.4	0	0	0	108.8	P140 K144 A536	P140-L142 PolarHBondContact O-N 3.49Å; P140-L142 VanDerWaalsContact O-N 3.13Å; L142-K144 PolarHBondContact O-N 3.41Å; L142-A536 HydrophobicContact CD2-CB 3.74Å; L142-A536 HydrophobicContact CG-CB 4.22Å
143	R	53.5	Low	53	Low	199 Å²	199	102.6 Å²	102.6	75%	0.751	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-70	120.3	165.1	-65.8	-174.5	-176.7	-175.3	0.7	107.1	I141	I141-R143 PolarHBondContact O-N 3.39Å; I141-R143 VanDerWaalsContact O-N 3.09Å
144	K	45.5	Very low	50.3	Low	104 Å²	104	101.2 Å²	101.2	45%	0.452	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-53	134	161.8	-74.2	-174.8	178.2	-176.9	0	106.9	L142 Q146	L142-K144 PolarHBondContact O-N 3.41Å; K144-Q146 PolarHBondContact O-N 3.06Å
145	P	30.7	Very low	47.6	Very low	82 Å²	82	104.2 Å²	104.2	53%	0.532	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-51.8	116.9	174.5	1.9	-4.2	0	0	0	108.1	L147	P145-L147 PolarHBondContact O-N 3.02Å
146	Q	28.5	Very low	45.1	Very low	157 Å²	157	107.2 Å²	107.2	73%	0.734	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-70.6	119.6	177.7	-73.1	-175.6	-31.3	0	0	107.4	K144 F148	K144-Q146 PolarHBondContact O-N 3.06Å; Q146-F148 VanDerWaalsContact C-N 3.34Å; Q146-F148 PolarHBondContact O-N 3.31Å
147	L	30.7	Very low	42.5	Very low	123 Å²	123	110.1 Å²	110.1	64%	0.644	56%	0.558	S	S	*	*			trans	-60.1	93.5	169.9	-89.3	104	0	0	0	109.2	P145 N149	P145-L147 PolarHBondContact O-N 3.02Å; L147-N149 PolarHBondContact O-N 2.82Å; L147-N149 VanDerWaalsContact O-N 3.16Å
148	F	24.3	Very low	39.8	Very low	185 Å²	185	116.5 Å²	116.5	81%	0.811	59%	0.593	S	S	*	*			trans	-80.4	81.2	156.4	-99.7	-83.8	0	0	0	107.9	Q146 G150	Q146-F148 VanDerWaalsContact C-N 3.34Å; Q146-F148 PolarHBondContact O-N 3.31Å; F148-G150 PolarHBondContact O-N 2.82Å
149	N	24.6	Very low	37	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	62%	0.616	S	S	*	*			trans	-77.7	63.6	156.9	-84.1	-10.2	0	0	0	108.4	L147	L147-N149 PolarHBondContact O-N 2.82Å; L147-N149 VanDerWaalsContact O-N 3.16Å
150	G	26	Very low	34.4	Very low	41 Å²	41	132.3 Å²	132.3	42%	0.423	65%	0.649	S	S	.	*			trans	-122.3	72.9	173.9	0	0	0	0	0	108.3	F148 T152	F148-G150 PolarHBondContact O-N 2.82Å; G150-T152 PolarHBondContact O-N 3.5Å
151	I	24.9	Very low	32.1	Very low	153 Å²	153	137.8 Å²	137.8	79%	0.785	68%	0.682	S	S	*	*			trans	-64.4	80.6	160.2	-57.6	171	0	0	0	105.5	K153	I151-K153 HydrophobicContact CG2-CG 3.94Å; I151-K153 PolarHBondContact O-N 3.08Å
152	T	25.4	Very low	30.1	Very low	133 Å²	133	139.3 Å²	139.3	82%	0.816	70%	0.697	S	S	*	*			trans	-72.4	89.6	159.9	44.3	0	0	0	0	104.4	G150 S154	G150-T152 PolarHBondContact O-N 3.5Å; T152-S154 PolarHBondContact O-N 3.43Å
153	K	26.7	Very low	28.4	Very low	162 Å²	162	146 Å²	146	70%	0.704	73%	0.727	S	S	*	*			trans	-47.7	117.7	166.2	-72.7	-176.8	175	178.8	0	106.2	I151 N155	I151-K153 HydrophobicContact CG2-CG 3.94Å; I151-K153 PolarHBondContact O-N 3.08Å; K153-N155 PolarHBondContact O-N 3.1Å
154	S	25.3	Very low	27	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	73%	0.73	S	S	*	*			trans	-60.4	80.6	168.2	52.2	0	0	0	0	108	T152 E156	T152-S154 PolarHBondContact O-N 3.43Å; S154-E156 PolarHBondContact O-N 3.15Å; S154-E156 VanDerWaalsContact O-N 3.08Å
155	N	26.2	Very low	26.2	Very low	127 Å²	127	147 Å²	147	68%	0.679	75%	0.747	S	S	*	*			trans	-77.3	90.8	164.6	-80.3	-5.8	0	0	0	105.6	K153 Y157	K153-N155 PolarHBondContact O-N 3.1Å; N155-Y157 HydrophobicContact CB-CD2 4.32Å; N155-Y157 PolarHBondContact O-N 3.28Å
156	E	24.3	Very low	26	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	77%	0.765	S	S	*	*			trans	-58.2	82.5	165	-68.9	178.5	156.6	0	0	109	S154	S154-E156 PolarHBondContact O-N 3.15Å; S154-E156 VanDerWaalsContact O-N 3.08Å
157	Y	26.4	Very low	26	Very low	188 Å²	188	153.4 Å²	153.4	74%	0.737	77%	0.769	S	S	*	*			trans	-95.9	93.9	162.4	-94.5	-87.4	0	0	0	108.2	N155 H159	N155-Y157 HydrophobicContact CB-CD2 4.32Å; N155-Y157 PolarHBondContact O-N 3.28Å; Y157-H159 VanDerWaalsContact C-N 3.26Å; Y157-H159 PolarHBondContact O-N 2.73Å
158	N	24.5	Very low	25.8	Very low	154 Å²	154	155.6 Å²	155.6	82%	0.824	78%	0.782	S	S	*	*			trans	-61.4	83.6	167.4	-77.3	-44.9	0	0	0	110
159	H	26	Very low	25.9	Very low	152 Å²	152	151 Å²	151	70%	0.704	77%	0.772	S	S	*	*			trans	-94.2	102.9	162.3	-83.2	-64.9	0	0	0	109.2	Y157 V161	Y157-H159 VanDerWaalsContact C-N 3.26Å; Y157-H159 PolarHBondContact O-N 2.73Å; H159-V161 PolarHBondContact O-N 3.26Å; H159-V161 VanDerWaalsContact O-N 3.11Å
160	R	22.9	Very low	26	Very low	249 Å²	249	151.5 Å²	151.5	94%	0.94	78%	0.775	S	S	*	*			trans	-55.5	108.2	162.3	-83.5	178.3	172.7	175.8	-3	108.2
161	V	27.3	Very low	26.2	Very low	123 Å²	123	157.1 Å²	157.1	75%	0.745	80%	0.795	S	S	*	*			trans	-94.2	130	166.9	-178.5	0	0	0	0	107.4	H159	H159-V161 PolarHBondContact O-N 3.26Å; H159-V161 VanDerWaalsContact O-N 3.11Å
162	P	28.2	Very low	26.3	Very low	115 Å²	115	156.5 Å²	156.5	75%	0.747	79%	0.793	S	S	*	*			trans	-72.5	143.6	-175.3	-8.2	24.5	0	0	0	111.9	E164	P162-E164 PolarHBondContact O-N 3.47Å
163	E	24.4	Very low	26.7	Very low	195 Å²	195	156.2 Å²	156.2	91%	0.911	79%	0.785	S	S	*	*			trans	-69.3	100.4	177	-66	174.7	152.8	0	0	111
164	E	24.8	Very low	27	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.813	79%	0.787	S	S	*	*			trans	-135.1	115.6	161.5	-76.9	-169.4	164.9	0	0	111.8	P162	P162-E164 PolarHBondContact O-N 3.47Å
165	N	28	Very low	27.5	Very low	151 Å²	151	156.6 Å²	156.6	81%	0.807	79%	0.787	S	S	*	*			trans	65.4	72.4	151.8	-59.4	-26.2	0	0	0	118.8	Q167	N165-Q167 VanDerWaalsContact C-N 3.27Å; N165-Q167 PolarHBondContact O-N 3.12Å
166	Q	26.9	Very low	28.4	Very low	198 Å²	198	158.4 Å²	158.4	93%	0.925	79%	0.791	S	S	*	*			trans	-70.1	62	165.8	-68.9	-177	-9.3	0	0	114.1
167	Q	27.3	Very low	29.9	Very low	175 Å²	175	158.1 Å²	158.1	82%	0.818	79%	0.794	S	S	*	*	S	Bend	trans	-127.3	5.9	176.9	-99	-178.7	2.4	0	0	118.7	N165	N165-Q167 VanDerWaalsContact C-N 3.27Å; N165-Q167 PolarHBondContact O-N 3.12Å
168	N	27.6	Very low	32.1	Very low	170 Å²	170	157 Å²	157	91%	0.909	80%	0.796	S	S	*	*	S	Bend	trans	-141.6	18.5	178.9	-89.8	-31.4	0	0	0	118.2
169	S	25.8	Very low	34.6	Very low	87 Å²	87	153.6 Å²	153.6	61%	0.608	78%	0.776	S	S	*	*			trans	-110.3	16.3	-178.6	64.4	0	0	0	0	116.3
170	N	27.6	Very low	37.5	Very low	157 Å²	157	150.5 Å²	150.5	84%	0.84	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	2.7	-178.2	-78.1	-9	0	0	0	115.6
171	N	29.1	Very low	40.6	Very low	159 Å²	159	141 Å²	141	85%	0.85	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	8.9	-178.9	-75.6	-14.2	0	0	0	115.1	I173	N171-I173 PolarHBondContact O-N 3.12Å; N171-I173 VanDerWaalsContact O-N 3.09Å
172	L	28.3	Very low	43.4	Very low	140 Å²	140	136.4 Å²	136.4	73%	0.733	70%	0.7	S	S	*	*	S	Bend	trans	-84.7	81.6	172	-85.6	138.7	0	0	0	110.9	N174	L172-N174 PolarHBondContact O-N 3.46Å
173	I	32.9	Very low	46.2	Very low	127 Å²	127	134.9 Å²	134.9	65%	0.651	69%	0.686	S	S	*	*			trans	49.4	64.7	142.1	-45.2	166.5	0	0	0	114.8	N171 N175	N171-I173 PolarHBondContact O-N 3.12Å; N171-I173 VanDerWaalsContact O-N 3.09Å; I173-N175 HydrophobicContact CG2-CB 3.97Å; I173-N175 PolarHBondContact O-N 3.04Å
174	N	32.5	Very low	49.1	Very low	139 Å²	139	127 Å²	127	74%	0.743	65%	0.651	S	S	*	*			trans	-79	49.5	157.3	-83.3	-26.5	0	0	0	111	L172 H176	L172-N174 PolarHBondContact O-N 3.46Å; N174-H176 PolarHBondContact O-N 3.27Å
175	N	36.2	Very low	52.1	Low	138 Å²	138	119 Å²	119	74%	0.738	61%	0.613	S	S	*	*			trans	-75.1	58.3	165.3	-78.2	-13.8	0	0	0	109.1	I173 L177	I173-N175 HydrophobicContact CG2-CB 3.97Å; I173-N175 PolarHBondContact O-N 3.04Å; N175-L177 PolarHBondContact O-N 3.34Å
176	H	46.3	Very low	55	Low	165 Å²	165	116.8 Å²	116.8	76%	0.764	60%	0.596	S	S	*	*			trans	-64.2	94.2	159.5	-80.8	-72.3	0	0	0	106	N174 E178	N174-H176 PolarHBondContact O-N 3.27Å; H176-E178 PolarHBondContact O-N 3.03Å
177	L	55.6	Low	57.9	Low	165 Å²	165	111.1 Å²	111.1	86%	0.864	57%	0.569	S	S	*	*			trans	-47.6	102.6	170.2	-79.1	151.9	0	0	0	107.8	N175 I179	N175-L177 PolarHBondContact O-N 3.34Å; L177-I179 PolarHBondContact O-N 3.48Å
178	E	71.6	Confident	60.8	Low	165 Å²	165	103.7 Å²	103.7	77%	0.771	53%	0.533	S	S	*	.			trans	-63.9	113.4	-179	-167	-176.3	168.6	0	0	107.7	H176 N180	H176-E178 PolarHBondContact O-N 3.03Å; E178-N180 PolarHBondContact O-N 3.1Å
179	I	78.3	Confident	63.8	Low	82 Å²	82	97.2 Å²	97.2	42%	0.421	50%	0.5	S	S	.	.			trans	-64.4	121.2	-178	-61.9	172.7	0	0	0	108.1	L177 W181 V184	L177-I179 PolarHBondContact O-N 3.48Å; I179-W181 VanDerWaalsContact C-N 3.27Å; I179-W181 HydrophobicContact CB-CD2 4.49Å; I179-W181 HydrophobicContact CB-CZ2 4.22Å; I179-W181 HydrophobicContact CD1-CH2 4.38Å; I179-W181 HydrophobicContact CD1-CZ2 3.94Å; I179-W181 HydrophobicContact CG2-CD2 3.96Å; I179-W181 HydrophobicContact CG2-CE3 4.27Å; I179-W181 HydrophobicContact CG2-CG 4.4Å; I179-W181 HydrophobicContact CG2-CH2 4.42Å; I179-W181 HydrophobicContact CG2-CZ2 4.11Å; I179-W181 HydrophobicContact CG2-CZ3 4.49Å; I179-W181 PolarHBondContact O-N 3.35Å; I179-V184 HydrophobicContact CG2-CG2 4.21Å
180	N	87	Confident	66.8	Low	87 Å²	87	95 Å²	95	47%	0.465	48%	0.484	S	S	.	.			trans	-73.7	82.3	174.2	-171	-33.2	0	0	0	110.6	E178 L182 N183 V184	E178-N180 PolarHBondContact O-N 3.1Å; N180-L182 PolarHBondContact O-N 3.02Å; N180-L182 PolarHBondContact OD1-N 2.96Å; N180-N183 HydrophobicContact CB-CB 4.29Å; N180-N183 PolarHBondContact ND2-ND2 3.07Å; N180-N183 PolarHBondContact O-N 2.74Å; N180-N183 VanDerWaalsContact O-N 3.1Å; N180-N183 PolarHBondContact OD1-N 2.81Å; N180-V184 PolarHBondContact O-N 3.18Å; N180-V184 VanDerWaalsContact O-N 3.14Å
181	W	86.8	Confident	69.8	Low	50 Å²	50	88.2 Å²	88.2	19%	0.189	45%	0.447	C	S	.	.	H	α-helix	trans	-59.2	-32.1	-177.7	-69	106.8	0	0	0	113.5	K129 C132 I179 V184 F185	K129-W181 HydrophobicContact CB-CB 4.37Å; K129-W181 HydrophobicContact CB-CD2 3.79Å; K129-W181 HydrophobicContact CB-CE3 4.43Å; K129-W181 HydrophobicContact CB-CG 3.73Å; K129-W181 HydrophobicContact CD-CZ2 4.31Å; K129-W181 HydrophobicContact CG-CD2 3.97Å; K129-W181 HydrophobicContact CG-CG 4.36Å; K129-W181 HydrophobicContact CG-CH2 4.47Å; K129-W181 HydrophobicContact CG-CZ2 3.94Å; C132-W181 HydrophobicContact CB-CE3 3.85Å; C132-W181 HydrophobicContact CB-CZ3 3.95Å; I179-W181 VanDerWaalsContact C-N 3.27Å; I179-W181 HydrophobicContact CB-CD2 4.49Å; I179-W181 HydrophobicContact CB-CZ2 4.22Å; I179-W181 HydrophobicContact CD1-CH2 4.38Å; I179-W181 HydrophobicContact CD1-CZ2 3.94Å; I179-W181 HydrophobicContact CG2-CD2 3.96Å; I179-W181 HydrophobicContact CG2-CE3 4.27Å; I179-W181 HydrophobicContact CG2-CG 4.4Å; I179-W181 HydrophobicContact CG2-CH2 4.42Å; I179-W181 HydrophobicContact CG2-CZ2 4.11Å; I179-W181 HydrophobicContact CG2-CZ3 4.49Å; I179-W181 PolarHBondContact O-N 3.35Å; W181-V184 PolarHBondContact O-N 3.05Å; W181-F185 WeakPolarHBondContact O-CB 3.26Å; W181-F185 PolarHBondContact O-N 2.85Å
182	L	86.7	Confident	72.7	Confident	26 Å²	26	82.4 Å²	82.4	14%	0.136	41%	0.414	C	S	.	.	H	α-helix	trans	-62.2	-44.6	175.5	175.3	62.9	0	0	0	111.1	R123 Y128 N180 F185 K186	R123-L182 HydrophobicContact CB-CD2 4.36Å; R123-L182 HydrophobicContact CG-CD2 4.34Å; Y128-L182 HydrophobicContact CD1-CD1 3.86Å; Y128-L182 HydrophobicContact CD2-CB 4.14Å; Y128-L182 HydrophobicContact CD2-CD1 3.94Å; Y128-L182 HydrophobicContact CE1-CD1 3.5Å; Y128-L182 HydrophobicContact CE2-CD1 3.64Å; Y128-L182 HydrophobicContact CG-CB 4.26Å; Y128-L182 HydrophobicContact CG-CD1 4.05Å; N180-L182 PolarHBondContact O-N 3.02Å; N180-L182 PolarHBondContact OD1-N 2.96Å; L182-F185 PolarHBondContact O-N 3.4Å; L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.41Å; L182-K186 WeakPolarHBondContact O-CB 3.47Å; L182-K186 VanDerWaalsContact O-CG 3.32Å; L182-K186 WeakPolarHBondContact O-CG 2.99Å; L182-K186 PolarHBondContact O-N 3.1Å
183	N	86	Confident	75.6	Confident	82 Å²	82	83.6 Å²	83.6	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-68.7	-38.8	177.9	-79	-7.3	0	0	0	112.2	N180 F185 K186 K187	N180-N183 HydrophobicContact CB-CB 4.29Å; N180-N183 PolarHBondContact ND2-ND2 3.07Å; N180-N183 PolarHBondContact O-N 2.74Å; N180-N183 VanDerWaalsContact O-N 3.1Å; N180-N183 PolarHBondContact OD1-N 2.81Å; N183-F185 VanDerWaalsContact C-N 3.34Å; N183-K186 PolarHBondContact O-N 3.02Å; N183-K187 WeakPolarHBondContact O-CG 3.27Å; N183-K187 PolarHBondContact O-N 3.15Å
184	V	85.7	Confident	78.5	Confident	30 Å²	30	77.7 Å²	77.7	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-49.1	172.9	176.3	0	0	0	0	110.1	I179 N180 W181 K186 K187 R188	I179-V184 HydrophobicContact CG2-CG2 4.21Å; N180-V184 PolarHBondContact O-N 3.18Å; N180-V184 VanDerWaalsContact O-N 3.14Å; W181-V184 PolarHBondContact O-N 3.05Å; V184-K186 PolarHBondContact O-N 2.84Å; V184-K187 PolarHBondContact O-N 3.27Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 2.77Å
185	F	87.8	Confident	81.2	Confident	5 Å²	5	71.2 Å²	71.2	2%	0.022	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-44.7	178.6	-173.6	-100.8	0	0	0	112.1	W105 Y128 F131 W137 W181 L182 N183 K187 R188 V189	W105-F185 HydrophobicContact CB-CE1 3.65Å; W105-F185 HydrophobicContact CB-CZ 3.68Å; W105-F185 AromaticContact CD1-CZ 3.78Å; W105-F185 HydrophobicContact CD2-CE1 4.11Å; W105-F185 HydrophobicContact CD2-CZ 4.27Å; W105-F185 HydrophobicContact CE3-CE1 4.47Å; W105-F185 AromaticContact CG-CE1 3.76Å; W105-F185 HydrophobicContact CG-CE1 3.76Å; W105-F185 AromaticContact CG-CZ 3.63Å; W105-F185 HydrophobicContact CG-CZ 3.63Å; Y128-F185 HydrophobicContact CD1-CB 3.8Å; Y128-F185 AromaticContact CD1-CD1 3.65Å; Y128-F185 HydrophobicContact CD1-CD1 3.65Å; Y128-F185 HydrophobicContact CD1-CE1 4.4Å; Y128-F185 AromaticContact CD1-CG 3.75Å; Y128-F185 HydrophobicContact CD1-CG 3.75Å; Y128-F185 AromaticContact CE1-CD1 3.86Å; Y128-F185 HydrophobicContact CE1-CD1 3.86Å; Y128-F185 HydrophobicContact CE1-CE1 4.35Å; Y128-F185 HydrophobicContact CE1-CG 4.43Å; Y128-F185 HydrophobicContact CG-CB 4.48Å; F131-F185 HydrophobicContact CB-CD2 3.72Å; F131-F185 HydrophobicContact CB-CE2 3.56Å; F131-F185 HydrophobicContact CB-CZ 4.39Å; F131-F185 HydrophobicContact CG-CE2 4.06Å; F131-F185 HydrophobicContact CG-CZ 4.44Å; W137-F185 HydrophobicContact CB-CD2 4.45Å; W137-F185 HydrophobicContact CB-CE2 4.14Å; W137-F185 AromaticContact CD1-CE2 3.81Å; W137-F185 HydrophobicContact CD2-CD2 4.35Å; W137-F185 AromaticContact CD2-CE2 3.48Å; W137-F185 HydrophobicContact CD2-CE2 3.48Å; W137-F185 VanDerWaalsContact CD2-CE2 3.48Å; W137-F185 HydrophobicContact CD2-CZ 4.06Å; W137-F185 AromaticContact CE2-CE2 3.7Å; W137-F185 AromaticContact CE2-CZ 3.84Å; W137-F185 AromaticContact CE3-CE2 3.95Å; W137-F185 HydrophobicContact CE3-CE2 3.95Å; W137-F185 HydrophobicContact CE3-CZ 4.44Å; W137-F185 HydrophobicContact CG-CD2 4.33Å; W137-F185 AromaticContact CG-CE2 3.58Å; W137-F185 HydrophobicContact CG-CE2 3.58Å; W137-F185 HydrophobicContact CG-CZ 4.48Å; W137-F185 HydrophobicContact CH2-CZ 4.48Å; W137-F185 HydrophobicContact CZ2-CE2 4.35Å; W137-F185 HydrophobicContact CZ2-CZ 4.08Å; W137-F185 AromaticContact NE1-CE2 3.86Å; W181-F185 WeakPolarHBondContact O-CB 3.26Å; W181-F185 PolarHBondContact O-N 2.85Å; L182-F185 PolarHBondContact O-N 3.4Å; N183-F185 VanDerWaalsContact C-N 3.34Å; F185-K187 VanDerWaalsContact C-N 3.35Å; F185-K187 PolarHBondContact O-N 3.14Å; F185-R188 PolarHBondContact O-N 2.85Å; F185-R188 VanDerWaalsContact O-N 3.16Å; F185-V189 HydrophobicContact CD1-CG2 3.84Å; F185-V189 HydrophobicContact CE1-CG2 3.44Å; F185-V189 VanDerWaalsContact CE1-CG2 3.44Å; F185-V189 HydrophobicContact CE2-CG2 4.38Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.74Å; F185-V189 WeakPolarHBondContact O-CG2 3.15Å; F185-V189 PolarHBondContact O-N 2.9Å
186	K	88.6	Confident	83.7	Confident	105 Å²	105	73.4 Å²	73.4	46%	0.457	34%	0.341	S	S	.	.	H	α-helix	trans	-56.8	-45.7	175.6	-78	176.1	178.5	179.2	0	112.3	L182 N183 V184 R188 V189 C190	L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.41Å; L182-K186 WeakPolarHBondContact O-CB 3.47Å; L182-K186 VanDerWaalsContact O-CG 3.32Å; L182-K186 WeakPolarHBondContact O-CG 2.99Å; L182-K186 PolarHBondContact O-N 3.1Å; N183-K186 PolarHBondContact O-N 3.02Å; V184-K186 PolarHBondContact O-N 2.84Å; K186-R188 VanDerWaalsContact C-N 3.34Å; K186-R188 PolarHBondContact O-N 2.62Å; K186-V189 PolarHBondContact O-N 3.41Å; K186-C190 WeakPolarHBondContact O-CB 3.39Å; K186-C190 PolarHBondContact O-N 3.29Å
187	K	87.5	Confident	85.8	Confident	80 Å²	80	70.4 Å²	70.4	35%	0.348	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-45.1	175.8	-77.1	-174.4	167.6	-172.5	0	111.3	N183 V184 F185 V189 C190 L191 S290 S293	N183-K187 WeakPolarHBondContact O-CG 3.27Å; N183-K187 PolarHBondContact O-N 3.15Å; V184-K187 PolarHBondContact O-N 3.27Å; F185-K187 VanDerWaalsContact C-N 3.35Å; F185-K187 PolarHBondContact O-N 3.14Å; K187-V189 PolarHBondContact O-N 3.41Å; K187-C190 WeakPolarHBondContact O-CB 3.08Å; K187-C190 PolarHBondContact O-N 3.46Å; K187-L191 WeakPolarHBondContact O-CB 3.48Å; K187-L191 PolarHBondContact O-N 2.98Å; K187-S290 PolarHBondContact NZ-OG 3.26Å; K187-S293 PolarHBondContact NZ-OG 2.82Å
188	R	89.6	Confident	87.4	Confident	19 Å²	19	63.4 Å²	63.4	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-38.8	178.2	-69.3	-178	-174.3	175.2	-0.7	112.8	C132 W137 V184 F185 K186 R192 E289 W537	C132-R188 VanDerWaalsContact CB-NH1 3.3Å; C132-R188 PolarHBondContact O-NH1 3.13Å; W137-R188 HydrophobicContact CE3-CB 4.22Å; W137-R188 WeakPolarHBondContact O-CD 3.33Å; W137-R188 PolarHBondContact O-NH1 3.03Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 2.77Å; F185-R188 PolarHBondContact O-N 2.85Å; F185-R188 VanDerWaalsContact O-N 3.16Å; K186-R188 VanDerWaalsContact C-N 3.34Å; K186-R188 PolarHBondContact O-N 2.62Å; R188-R192 PolarHBondContact O-N 3.47Å; R188-R192 VanDerWaalsContact O-N 3.1Å; R188-E289 IonicContact CZ-OE1 3.02Å; R188-E289 IonicContact CZ-OE2 3.91Å; R188-E289 IonicContact NE-OE2 3.58Å; R188-E289 PolarHBondContact NE-OE2 3.16Å; R188-E289 IonicContact NH2-OE1 3.19Å; R188-E289 PolarHBondContact NH2-OE1 3.48Å; R188-E289 IonicContact NH2-OE2 3.77Å; R188-E289 PolarHBondContact NH2-OE2 2.89Å; R188-W537 HydrophobicContact CB-CH2 3.78Å; R188-W537 HydrophobicContact CB-CZ2 4.4Å; R188-W537 HydrophobicContact CG-CH2 3.9Å; R188-W537 HydrophobicContact CG-CZ2 4.34Å
189	V	89.4	Confident	88.4	Confident	33 Å²	33	59.8 Å²	59.8	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-47.2	172.7	174.5	0	0	0	0	111.1	W105 W137 F185 K186 K187 L191 R193	W105-V189 HydrophobicContact CH2-CG1 4.09Å; W105-V189 HydrophobicContact CZ2-CG1 4.34Å; W137-V189 HydrophobicContact CE3-CG2 4.31Å; W137-V189 HydrophobicContact CH2-CB 4.29Å; W137-V189 HydrophobicContact CH2-CG2 3.55Å; W137-V189 HydrophobicContact CZ2-CG2 4.34Å; W137-V189 HydrophobicContact CZ3-CB 4.16Å; W137-V189 HydrophobicContact CZ3-CG2 3.53Å; F185-V189 HydrophobicContact CD1-CG2 3.84Å; F185-V189 HydrophobicContact CE1-CG2 3.44Å; F185-V189 VanDerWaalsContact CE1-CG2 3.44Å; F185-V189 HydrophobicContact CE2-CG2 4.38Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.74Å; F185-V189 WeakPolarHBondContact O-CG2 3.15Å; F185-V189 PolarHBondContact O-N 2.9Å; K186-V189 PolarHBondContact O-N 3.41Å; K187-V189 PolarHBondContact O-N 3.41Å; V189-L191 VanDerWaalsContact C-N 3.35Å; V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 PolarHBondContact O-N 3.41Å; V189-R193 VanDerWaalsContact O-N 3.07Å
190	C	90.5	Very high	89.2	Confident	40 Å²	40	58 Å²	58	27%	0.27	27%	0.269	S	S	.	.	H	α-helix	trans	-59	-48.2	177.1	-166.5	0	0	0	0	110.8	K186 K187 R192 R193 N194	K186-C190 WeakPolarHBondContact O-CB 3.39Å; K186-C190 PolarHBondContact O-N 3.29Å; K187-C190 WeakPolarHBondContact O-CB 3.08Å; K187-C190 PolarHBondContact O-N 3.46Å; C190-R192 PolarHBondContact O-N 3.37Å; C190-R193 WeakPolarHBondContact O-CB 3.44Å; C190-R193 PolarHBondContact O-N 3.12Å; C190-R193 VanDerWaalsContact O-N 3.13Å; C190-N194 VanDerWaalsContact O-CG 3.28Å; C190-N194 PolarHBondContact O-N 3.03Å
191	L	90.2	Very high	89.5	Confident	15 Å²	15	61.3 Å²	61.3	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-50.9	-178.8	-166.7	72.1	0	0	0	111.9	K187 V189 R193 N194 F195 W537 F593	K187-L191 WeakPolarHBondContact O-CB 3.48Å; K187-L191 PolarHBondContact O-N 2.98Å; V189-L191 VanDerWaalsContact C-N 3.35Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.39Å; L191-N194 WeakPolarHBondContact O-CB 3.5Å; L191-N194 PolarHBondContact O-N 3.47Å; L191-F195 HydrophobicContact CD1-CD2 4.37Å; L191-F195 HydrophobicContact CD1-CE2 3.97Å; L191-F195 HydrophobicContact CD2-CE2 4.21Å; L191-F195 HydrophobicContact CG-CD2 3.97Å; L191-F195 HydrophobicContact CG-CE2 3.8Å; L191-F195 WeakPolarHBondContact O-CD2 3.47Å; L191-F195 PolarHBondContact O-N 3.1Å; L191-W537 HydrophobicContact CB-CZ3 4.49Å; L191-W537 HydrophobicContact CD2-CZ3 3.86Å; L191-W537 HydrophobicContact CG-CZ3 4.49Å; L191-F593 HydrophobicContact CD1-CB 3.91Å
192	R	88.6	Confident	89.9	Confident	38 Å²	38	61.6 Å²	61.6	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-38.7	177.3	-76.7	-173.2	164	-128.8	-3.8	112.6	K136 W137 R188 C190 N194 R196 W537	K136-R192 PolarHBondContact O-NE 2.79Å; K136-R192 VanDerWaalsContact O-NE 3.08Å; K136-R192 PolarHBondContact O-NH1 2.95Å; K136-R192 PolarHBondContact O-NH2 2.97Å; W137-R192 HydrophobicContact CZ3-CG 4.46Å; R188-R192 PolarHBondContact O-N 3.47Å; R188-R192 VanDerWaalsContact O-N 3.1Å; C190-R192 PolarHBondContact O-N 3.37Å; R192-N194 VanDerWaalsContact C-N 3.34Å; R192-R196 WeakPolarHBondContact O-CB 3.5Å; R192-R196 PolarHBondContact O-N 2.92Å; R192-R196 VanDerWaalsContact O-N 3.14Å; R192-W537 HydrophobicContact CG-CE3 3.76Å; R192-W537 HydrophobicContact CG-CH2 4.09Å; R192-W537 HydrophobicContact CG-CZ3 3.49Å; R192-W537 VanDerWaalsContact CG-CZ3 3.49Å
193	R	90.5	Very high	90.3	Very high	164 Å²	164	62 Å²	62	62%	0.619	28%	0.28	S	S	*	.	H	α-helix	trans	-62.2	-43.9	174.3	176.1	-178.4	176.2	170.2	0.3	110.6	V189 C190 L191 R196 L197	V189-R193 WeakPolarHBondContact O-CB 3.32Å; V189-R193 PolarHBondContact O-N 3.41Å; V189-R193 VanDerWaalsContact O-N 3.07Å; C190-R193 WeakPolarHBondContact O-CB 3.44Å; C190-R193 PolarHBondContact O-N 3.12Å; C190-R193 VanDerWaalsContact O-N 3.13Å; L191-R193 VanDerWaalsContact C-N 3.28Å; L191-R193 PolarHBondContact O-N 3.39Å; R193-R196 PolarHBondContact O-N 2.92Å; R193-L197 HydrophobicContact CG-CD1 3.7Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.44Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.43Å; R193-L197 PolarHBondContact O-N 2.92Å
194	N	92.5	Very high	90.7	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-45.5	-178.8	-72.6	-12.2	0	0	0	112.3	C190 L191 R192 R196 L197 G198 K199 F593 V595	C190-N194 VanDerWaalsContact O-CG 3.28Å; C190-N194 PolarHBondContact O-N 3.03Å; L191-N194 WeakPolarHBondContact O-CB 3.5Å; L191-N194 PolarHBondContact O-N 3.47Å; R192-N194 VanDerWaalsContact C-N 3.34Å; N194-R196 VanDerWaalsContact C-N 3.32Å; N194-R196 PolarHBondContact O-N 3.27Å; N194-L197 CarbonylContact O-C 3.54Å; N194-L197 PolarHBondContact O-N 3.14Å; N194-G198 CarbonylContact O-C 3.45Å; N194-G198 WeakPolarHBondContact O-CA 3.36Å; N194-G198 PolarHBondContact O-N 3.08Å; N194-K199 HydrophobicContact CB-CB 4.36Å; N194-K199 WeakPolarHBondContact CB-O 3.39Å; N194-K199 PolarHBondContact O-N 3.47Å; N194-F593 HydrophobicContact CB-CB 4.37Å; N194-F593 HydrophobicContact CB-CD1 4.47Å; N194-F593 WeakPolarHBondContact CB-O 3.45Å; N194-F593 PolarHBondContact ND2-O 3.34Å; N194-V595 PolarHBondContact ND2-O 3.44Å
195	F	91	Very high	91.2	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-47.2	172.7	-87.1	-83.1	0	0	0	111.7	L191 L197 G198 H538 V550 I574 I579 F593	L191-F195 HydrophobicContact CD1-CD2 4.37Å; L191-F195 HydrophobicContact CD1-CE2 3.97Å; L191-F195 HydrophobicContact CD2-CE2 4.21Å; L191-F195 HydrophobicContact CG-CD2 3.97Å; L191-F195 HydrophobicContact CG-CE2 3.8Å; L191-F195 WeakPolarHBondContact O-CD2 3.47Å; L191-F195 PolarHBondContact O-N 3.1Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 3.4Å; F195-G198 PolarHBondContact O-N 3.17Å; F195-H538 AromaticContact CD2-CE1 3.79Å; F195-H538 AromaticContact CE2-CE1 3.93Å; F195-H538 AromaticContact CG-CE1 3.89Å; F195-H538 AromaticContact CG-NE2 3.74Å; F195-V550 HydrophobicContact CD1-CG1 4.49Å; F195-I574 HydrophobicContact CE1-CD1 4.35Å; F195-I574 HydrophobicContact CZ-CD1 4.41Å; F195-I579 HydrophobicContact CE1-CD1 3.95Å; F195-I579 HydrophobicContact CE1-CG1 4.33Å; F195-F593 HydrophobicContact CB-CD1 4.49Å; F195-F593 HydrophobicContact CD1-CD1 4Å; F195-F593 HydrophobicContact CD1-CD2 4.17Å; F195-F593 AromaticContact CD1-CE1 3.94Å; F195-F593 HydrophobicContact CD1-CE1 3.94Å; F195-F593 HydrophobicContact CD1-CE2 4.13Å; F195-F593 HydrophobicContact CD1-CG 4.12Å; F195-F593 HydrophobicContact CD1-CZ 4Å; F195-F593 HydrophobicContact CD2-CB 4Å; F195-F593 HydrophobicContact CD2-CD1 4.21Å; F195-F593 HydrophobicContact CD2-CG 4.02Å; F195-F593 HydrophobicContact CE1-CD1 4.25Å; F195-F593 AromaticContact CE1-CD2 3.58Å; F195-F593 HydrophobicContact CE1-CD2 3.58Å; F195-F593 HydrophobicContact CE1-CE1 4.27Å; F195-F593 AromaticContact CE1-CE2 3.62Å; F195-F593 HydrophobicContact CE1-CE2 3.62Å; F195-F593 AromaticContact CE1-CG 3.92Å; F195-F593 HydrophobicContact CE1-CG 3.92Å; F195-F593 AromaticContact CE1-CZ 3.96Å; F195-F593 HydrophobicContact CE1-CZ 3.96Å; F195-F593 HydrophobicContact CE2-CB 3.71Å; F195-F593 HydrophobicContact CE2-CD1 4.44Å; F195-F593 HydrophobicContact CE2-CD2 4.04Å; F195-F593 AromaticContact CE2-CG 3.81Å; F195-F593 HydrophobicContact CE2-CG 3.81Å; F195-F593 AromaticContact CG-CD1 3.98Å; F195-F593 HydrophobicContact CG-CD1 3.98Å; F195-F593 HydrophobicContact CG-CE1 4.29Å; F195-F593 HydrophobicContact CG-CG 4.16Å; F195-F593 HydrophobicContact CZ-CB 4.08Å; F195-F593 HydrophobicContact CZ-CD1 4.46Å; F195-F593 AromaticContact CZ-CD2 3.5Å; F195-F593 HydrophobicContact CZ-CD2 3.5Å; F195-F593 HydrophobicContact CZ-CE2 4.02Å; F195-F593 AromaticContact CZ-CG 3.76Å; F195-F593 HydrophobicContact CZ-CG 3.76Å
196	R	88.3	Confident	91.5	Very high	184 Å²	184	64.8 Å²	64.8	69%	0.694	29%	0.29	S	S	*	.	H	α-helix	trans	-66.6	-32.1	-179.5	-158.9	-176.5	76.2	167.5	6.7	113.7	R192 R193 N194 V559	R192-R196 WeakPolarHBondContact O-CB 3.5Å; R192-R196 PolarHBondContact O-N 2.92Å; R192-R196 VanDerWaalsContact O-N 3.14Å; R193-R196 PolarHBondContact O-N 2.92Å; N194-R196 VanDerWaalsContact C-N 3.32Å; N194-R196 PolarHBondContact O-N 3.27Å; R196-V559 HydrophobicContact CB-CG1 4.41Å
197	L	89.6	Confident	91.6	Very high	102 Å²	102	61.3 Å²	61.3	53%	0.534	29%	0.285	S	S	.	.	H	α-helix	trans	-88.8	-9	177.2	-67.3	178.3	0	0	0	112.9	R193 N194 F195 K199	R193-L197 HydrophobicContact CG-CD1 3.7Å; R193-L197 HydrophobicContact CG-CG 4.29Å; R193-L197 WeakPolarHBondContact O-CB 3.44Å; R193-L197 VanDerWaalsContact O-CG 3.31Å; R193-L197 WeakPolarHBondContact O-CG 3.43Å; R193-L197 PolarHBondContact O-N 2.92Å; N194-L197 CarbonylContact O-C 3.54Å; N194-L197 PolarHBondContact O-N 3.14Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 3.4Å; L197-K199 HydrophobicContact CB-CB 4.4Å; L197-K199 PolarHBondContact O-N 3.2Å
198	G	88.8	Confident	92.1	Very high	18 Å²	18	58.1 Å²	58.1	19%	0.186	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	23.5	-168.6	0	0	0	0	0	114.3	N194 F195 H200 N560	N194-G198 CarbonylContact O-C 3.45Å; N194-G198 WeakPolarHBondContact O-CA 3.36Å; N194-G198 PolarHBondContact O-N 3.08Å; F195-G198 PolarHBondContact O-N 3.17Å; G198-H200 PolarHBondContact O-CE1 3.32Å; G198-H200 PolarHBondContact O-N 2.99Å; G198-H200 PolarHBondContact O-ND1 3.5Å; G198-N560 WeakPolarHBondContact CA-ND2 3.28Å; G198-N560 PolarHBondContact N-ND2 2.8Å
199	K	92.6	Very high	92.4	Very high	90 Å²	90	61.5 Å²	61.5	39%	0.391	30%	0.297	S	S	.	.			trans	-80.8	109.8	178.5	-165.3	-172.7	172.6	-177.4	0	108.6	N194 L197 F593 V595 I596	N194-K199 HydrophobicContact CB-CB 4.36Å; N194-K199 WeakPolarHBondContact CB-O 3.39Å; N194-K199 PolarHBondContact O-N 3.47Å; L197-K199 HydrophobicContact CB-CB 4.4Å; L197-K199 PolarHBondContact O-N 3.2Å; K199-F593 WeakPolarHBondContact O-CD1 3.47Å; K199-V595 HydrophobicContact CB-CG2 4.29Å; K199-V595 HydrophobicContact CD-CG2 4.04Å; K199-V595 HydrophobicContact CG-CG2 3.76Å; K199-V595 WeakPolarHBondContact O-CG2 3.18Å; K199-I596 WeakPolarHBondContact CE-O 3.32Å; K199-I596 PolarHBondContact NZ-O 3.15Å; K199-I596 PolarHBondContact NZ-OXT 2.97Å
200	H	94.5	Very high	92.9	Very high	44 Å²	44	60.5 Å²	60.5	20%	0.204	29%	0.294	C	S	.	.			trans	-151.2	163.6	-178.4	62.6	-80.3	0	0	0	111.3	G198 Y591 D592 F593	G198-H200 PolarHBondContact O-CE1 3.32Å; G198-H200 PolarHBondContact O-N 2.99Å; G198-H200 PolarHBondContact O-ND1 3.5Å; H200-Y591 AromaticContact CD2-CD1 3.57Å; H200-Y591 AromaticContact NE2-CD1 3.51Å; H200-D592 CarbonylContact C-O 3.59Å; H200-D592 WeakPolarHBondContact CA-O 3.44Å; H200-D592 WeakPolarHBondContact CB-O 3.32Å; H200-F593 HydrophobicContact CB-CD1 3.79Å; H200-F593 HydrophobicContact CB-CD2 4.34Å; H200-F593 HydrophobicContact CB-CE1 3.79Å; H200-F593 HydrophobicContact CB-CE2 4.34Å; H200-F593 HydrophobicContact CB-CG 4.08Å; H200-F593 HydrophobicContact CB-CZ 4.07Å
201	R	94.8	Very high	93.2	Very high	157 Å²	157	59.2 Å²	59.2	59%	0.592	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	170.9	177.2	-178.2	173.6	-164.8	0.7	109.7	D592 V595	R201-D592 HydrophobicContact CB-CB 4.45Å; R201-D592 PolarHBondContact N-O 3.15Å; R201-D592 PolarHBondContact O-N 2.93Å; R201-V595 HydrophobicContact CB-CG1 3.9Å
202	I	94.6	Very high	93.6	Very high	56 Å²	56	58.5 Å²	58.5	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.1	-177.8	-61.9	162.7	0	0	0	110.7	K204 E564 I589 L590 Y591	I202-K204 HydrophobicContact CG2-CG 4.07Å; I202-E564 HydrophobicContact CD1-CB 4.42Å; I202-E564 HydrophobicContact CD1-CG 3.5Å; I202-E564 WeakPolarHBondContact CD1-OE2 3.33Å; I202-E564 HydrophobicContact CG1-CG 4.43Å; I202-I589 HydrophobicContact CG2-CG2 3.67Å; I202-L590 CarbonylContact C-O 3.58Å; I202-L590 WeakPolarHBondContact CA-O 3.25Å; I202-Y591 HydrophobicContact CG1-CD1 4.3Å
203	R	94.7	Very high	94.1	Very high	33 Å²	33	59.6 Å²	59.6	13%	0.125	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.8	163	-69.3	-179.2	-73.4	160	5.8	109.3	F205 I236 R237 L590	R203-F205 HydrophobicContact CB-CE2 4.17Å; R203-I236 PolarHBondContact NH1-O 3.13Å; R203-I236 PolarHBondContact NH2-O 2.85Å; R203-R237 PolarHBondContact NH1-O 2.92Å; R203-R237 VanDerWaalsContact NH1-O 3.09Å; R203-L590 HydrophobicContact CB-CB 4.46Å; R203-L590 PolarHBondContact N-O 3.41Å; R203-L590 VanDerWaalsContact NH2-CD1 3.29Å; R203-L590 VanDerWaalsContact NH2-CD2 3.3Å; R203-L590 PolarHBondContact O-N 2.59Å
204	K	95.2	Very high	94.5	Very high	75 Å²	75	52.2 Å²	52.2	33%	0.326	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134	175.5	-57.6	-163.5	174	-167.7	0	110.1	I202 E564 I589	I202-K204 HydrophobicContact CG2-CG 4.07Å; K204-E564 PolarHBondContact NZ-O 3.37Å; K204-E564 VanDerWaalsContact NZ-O 3.09Å; K204-I589 HydrophobicContact CD-CD1 4.26Å; K204-I589 HydrophobicContact CD-CG1 4.5Å; K204-I589 HydrophobicContact CG-CD1 4.32Å; K204-I589 HydrophobicContact CG-CG1 4.11Å
205	F	95.4	Very high	94.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.5	177.2	-61.2	-97.8	0	0	0	108.7	R203 I222 W234 N239 V588 L590	R203-F205 HydrophobicContact CB-CE2 4.17Å; F205-I222 HydrophobicContact CD2-CD1 4.44Å; F205-I222 HydrophobicContact CE1-CD1 4.46Å; F205-I222 HydrophobicContact CE2-CD1 3.79Å; F205-I222 HydrophobicContact CZ-CD1 3.79Å; F205-W234 HydrophobicContact CB-CD2 4.13Å; F205-W234 HydrophobicContact CB-CE3 3.85Å; F205-W234 HydrophobicContact CB-CH2 4.36Å; F205-W234 HydrophobicContact CB-CZ3 3.98Å; F205-W234 HydrophobicContact CD1-CB 4.03Å; F205-W234 HydrophobicContact CD1-CD2 4.15Å; F205-W234 AromaticContact CD1-CE3 3.83Å; F205-W234 HydrophobicContact CD1-CE3 3.83Å; F205-W234 HydrophobicContact CD1-CG 4.25Å; F205-W234 HydrophobicContact CE1-CB 4.13Å; F205-W234 HydrophobicContact CG-CD2 4.44Å; F205-W234 HydrophobicContact CG-CE3 4.27Å; F205-N239 HydrophobicContact CD1-CB 4Å; F205-N239 HydrophobicContact CE1-CB 3.82Å; F205-N239 HydrophobicContact CZ-CB 4.26Å; F205-V588 HydrophobicContact CB-CB 4.09Å; F205-V588 HydrophobicContact CD2-CG1 4.19Å; F205-V588 PolarHBondContact N-O 3.42Å; F205-V588 PolarHBondContact O-N 2.91Å; F205-V588 VanDerWaalsContact O-N 3.11Å; F205-L590 HydrophobicContact CE2-CB 3.82Å
206	N	94.1	Very high	95	Very high	97 Å²	97	54.2 Å²	54.2	52%	0.519	27%	0.271	S	S	.	.			trans	-109.5	138.7	-177.3	-64.7	-41.2	0	0	0	110	T587	N206-T587 VanDerWaalsContact OD1-CG2 3.24Å; N206-T587 WeakPolarHBondContact OD1-CG2 3.36Å
207	G	91.9	Very high	95.2	Very high	33 Å²	33	46.4 Å²	46.4	34%	0.34	24%	0.244	S	C	.	.			trans	164.3	-24.5	172	0	0	0	0	0	115.4	R232	G207-R232 PolarHBondContact O-NE 3.27Å; G207-R232 PolarHBondContact O-NH2 3.09Å
208	H	96.8	Very high	95.1	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.06	23%	0.226	C	C	.	.			trans	-64.9	143.5	171.7	-80.7	-64.6	0	0	0	110.9	V212 S224 S226 D228 T230 W234	H208-V212 HydrophobicContact CB-CG2 4.44Å; H208-S224 PolarHBondContact CD2-OG 2.85Å; H208-S224 PolarHBondContact NE2-O 3.03Å; H208-S224 PolarHBondContact NE2-OG 2.98Å; H208-S226 VanDerWaalsContact CE1-CB 3.42Å; H208-S226 WeakPolarHBondContact CE1-CB 3.41Å; H208-S226 WeakPolarHBondContact ND1-CB 3.2Å; H208-D228 VanDerWaalsContact CA-OD2 3.32Å; H208-D228 WeakPolarHBondContact CA-OD2 3.06Å; H208-D228 WeakPolarHBondContact CB-OD2 3.43Å; H208-D228 IonicContact CE1-OD1 3.57Å; H208-D228 IonicContact CE1-OD2 3.32Å; H208-D228 IonicContact CG-OD2 2.76Å; H208-D228 IonicContact ND1-OD1 2.71Å; H208-D228 PolarHBondContact ND1-OD1 3.13Å; H208-D228 IonicContact ND1-OD2 3.2Å; H208-D228 PolarHBondContact ND1-OD2 2.61Å; H208-T230 PolarHBondContact CE1-OG1 2.8Å; H208-T230 PolarHBondContact ND1-OG1 3Å; H208-W234 AromaticContact CD2-CZ2 3.9Å
209	S	97.3	Very high	94.9	Very high	89 Å²	89	43.9 Å²	43.9	62%	0.622	23%	0.233	S	C	*	.	S	Bend	trans	-94.1	-8.9	176.4	55.2	0	0	0	0	113	D228	S209-D228 PolarHBondContact N-OD2 3.09Å; S209-D228 WeakPolarHBondContact OG-CB 3.37Å
210	G	98	Very high	94.5	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	23%	0.227	C	C	.	.	S	Bend	trans	-133.4	174.7	176.8	0	0	0	0	0	112.6	V212 S226 K586	G210-V212 PolarHBondContact O-N 2.81Å; G210-S226 VanDerWaalsContact C-OG 3.29Å; G210-S226 PolarHBondContact O-OG 3.36Å; G210-K586 WeakPolarHBondContact O-CB 3.36Å
211	A	98.4	Very high	94.3	Very high	12 Å²	12	41.4 Å²	41.4	10%	0.099	22%	0.22	C	C	.	.			trans	-53.5	136.9	180	0	0	0	0	0	111.6	Y213 S226 A227 Y584	A211-Y213 HydrophobicContact CB-CD1 4.38Å; A211-Y213 HydrophobicContact CB-CE1 3.79Å; A211-S226 CarbonylContact O-C 3.5Å; A211-S226 WeakPolarHBondContact O-CA 3.17Å; A211-S226 WeakPolarHBondContact O-CB 3.2Å; A211-S226 PolarHBondContact O-OG 2.92Å; A211-A227 HydrophobicContact CB-CB 4.29Å; A211-A227 PolarHBondContact O-N 2.69Å; A211-Y584 HydrophobicContact CB-CD1 3.61Å; A211-Y584 HydrophobicContact CB-CE1 4.33Å; A211-Y584 HydrophobicContact CB-CG 4.45Å
212	V	98.6	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.6	170.9	-178.4	0	0	0	0	106.9	H208 G210 T570 S583 V588	H208-V212 HydrophobicContact CB-CG2 4.44Å; G210-V212 PolarHBondContact O-N 2.81Å; V212-T570 WeakPolarHBondContact O-CB 3.39Å; V212-T570 PolarHBondContact O-OG1 2.86Å; V212-S583 PolarHBondContact N-O 3.07Å; V212-V588 HydrophobicContact CG1-CG2 4.14Å; V212-V588 HydrophobicContact CG2-CG2 4.05Å
213	Y	98.5	Very high	94.3	Very high	61 Å²	61	31.3 Å²	31.3	24%	0.239	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-22.9	-177.8	-70.8	-42.7	0	0	0	113.9	A211 G225 A227 A253 T570 Y584	A211-Y213 HydrophobicContact CB-CD1 4.38Å; A211-Y213 HydrophobicContact CB-CE1 3.79Å; Y213-G225 PolarHBondContact N-O 2.96Å; Y213-A227 HydrophobicContact CD2-CB 4.25Å; Y213-A227 HydrophobicContact CE2-CB 3.45Å; Y213-A227 VanDerWaalsContact CE2-CB 3.45Å; Y213-A253 HydrophobicContact CD2-CB 4.25Å; Y213-A253 HydrophobicContact CE2-CB 3.93Å; Y213-T570 HydrophobicContact CD1-CG2 4.42Å; Y213-Y584 HydrophobicContact CE1-CD1 4.38Å; Y213-Y584 AromaticContact CE1-CE1 3.79Å; Y213-Y584 HydrophobicContact CE1-CE1 3.79Å
214	C	98.1	Very high	94.4	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.5	-178.2	55.3	0	0	0	0	110.7	S224 G225 R255 C256 V257 C571	C214-S224 WeakPolarHBondContact O-CA 3.45Å; C214-G225 PolarHBondContact N-O 3.39Å; C214-G225 PolarHBondContact O-N 2.73Å; C214-G225 VanDerWaalsContact SG-CA 3.59Å; C214-R255 VanDerWaalsContact SG-C 3.59Å; C214-C256 VanDerWaalsContact SG-C 3.5Å; C214-C256 WeakPolarHBondContact SG-CA 3.42Å; C214-C256 PolarHBondContact SG-N 2.83Å; C214-C256 VanDerWaalsContact SG-N 3.42Å; C214-V257 HydrophobicContact CB-CG2 4.04Å; C214-C571 VanDerWaalsContact CA-SG 3.59Å
215	I	97.7	Very high	94.6	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.7	-179.2	-163.8	155.3	0	0	0	109.6	I222 V223 C571 V573 I580 V588	I215-I222 HydrophobicContact CD1-CG2 3.65Å; I215-I222 HydrophobicContact CG1-CG2 3.77Å; I215-V223 CarbonylContact C-O 3.57Å; I215-V223 VanDerWaalsContact CA-O 3.25Å; I215-V223 WeakPolarHBondContact CA-O 3.28Å; I215-V223 WeakPolarHBondContact CG1-O 3.09Å; I215-C571 HydrophobicContact CG2-CB 4.1Å; I215-V573 HydrophobicContact CG2-CG1 4.06Å; I215-V573 HydrophobicContact CG2-CG2 4.1Å; I215-I580 HydrophobicContact CD1-CB 4.34Å; I215-I580 HydrophobicContact CD1-CG2 3.44Å; I215-I580 VanDerWaalsContact CD1-CG2 3.44Å; I215-I580 HydrophobicContact CG1-CG2 4.35Å; I215-V588 HydrophobicContact CD1-CB 4.34Å; I215-V588 HydrophobicContact CD1-CG1 3.45Å; I215-V588 VanDerWaalsContact CD1-CG1 3.45Å; I215-V588 HydrophobicContact CD1-CG2 3.97Å
216	D	96.1	Very high	94.7	Very high	35 Å²	35	26 Å²	26	19%	0.187	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.5	167.8	-162.1	8.9	0	0	0	109.4	V223 V257 Q258 L259	D216-V223 PolarHBondContact N-O 3.33Å; D216-V223 PolarHBondContact O-N 3.13Å; D216-V257 HydrophobicContact CB-CG2 4.18Å; D216-Q258 WeakPolarHBondContact OD2-CA 3.29Å; D216-L259 PolarHBondContact OD2-N 2.82Å
217	C	93.7	Very high	94.9	Very high	20 Å²	20	23 Å²	23	14%	0.135	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.8	179.1	66.5	0	0	0	0	113.3	R221 I580	C217-R221 VanDerWaalsContact CA-O 3.32Å; C217-R221 WeakPolarHBondContact CA-O 3.35Å; C217-R221 WeakPolarHBondContact CB-O 3.24Å; C217-I580 HydrophobicContact CB-CD1 3.76Å
218	D	87.7	Confident	95.2	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.144	14%	0.135	C	C	.	.			trans	-121.3	-170	164.6	69	21.6	0	0	0	109.4	Y220 R221 I236 L259	D218-Y220 PolarHBondContact O-N 3.32Å; D218-Y220 VanDerWaalsContact O-N 3.11Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.38Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.35Å; D218-Y220 PolarHBondContact OD1-N 2.73Å; D218-R221 PolarHBondContact N-O 2.89Å; D218-R221 PolarHBondContact OD1-N 2.84Å; D218-R221 IonicContact OD1-NE 2.65Å; D218-R221 IonicContact OD2-CZ 3.21Å; D218-R221 IonicContact OD2-NE 3.36Å; D218-R221 PolarHBondContact OD2-NE 3.17Å; D218-R221 IonicContact OD2-NH2 2.73Å; D218-R221 PolarHBondContact OD2-NH2 3.15Å; D218-R221 VanDerWaalsContact OD2-NH2 3.16Å; D218-I236 WeakPolarHBondContact O-CD1 3.45Å; D218-L259 HydrophobicContact CB-CD1 4.31Å
219	A	84.3	Confident	95.3	Very high	40 Å²	40	23.1 Å²	23.1	33%	0.331	14%	0.141	S	C	.	.	S	Bend	trans	-67.7	-7.8	-179.2	0	0	0	0	0	114.7	I236 I291	A219-I236 WeakPolarHBondContact O-CG2 3.34Å; A219-I291 HydrophobicContact CB-CD1 3.78Å; A219-I291 HydrophobicContact CB-CG1 4.25Å
220	Y	84.6	Confident	95.3	Very high	67 Å²	67	19.1 Å²	19.1	26%	0.263	11%	0.112	S	C	.	.	S	Bend	trans	-123.8	-31.5	-170.6	-57.2	-94	0	0	0	113.1	D218 I236 W311 P313 P314	D218-Y220 PolarHBondContact O-N 3.32Å; D218-Y220 VanDerWaalsContact O-N 3.11Å; D218-Y220 WeakPolarHBondContact OD1-CA 3.38Å; D218-Y220 WeakPolarHBondContact OD1-CB 3.35Å; D218-Y220 PolarHBondContact OD1-N 2.73Å; Y220-I236 VanDerWaalsContact O-CG2 3.3Å; Y220-I236 WeakPolarHBondContact O-CG2 3.26Å; Y220-I236 PolarHBondContact O-N 3.47Å; Y220-W311 AromaticContact CD1-CE3 3.52Å; Y220-W311 HydrophobicContact CD1-CE3 3.52Å; Y220-W311 HydrophobicContact CD1-CH2 4.21Å; Y220-W311 AromaticContact CD1-CZ3 3.24Å; Y220-W311 HydrophobicContact CD1-CZ3 3.24Å; Y220-W311 AromaticContact CE1-CE3 3.8Å; Y220-W311 HydrophobicContact CE1-CE3 3.8Å; Y220-W311 HydrophobicContact CE1-CH2 4.05Å; Y220-W311 AromaticContact CE1-CZ3 3.47Å; Y220-W311 HydrophobicContact CE1-CZ3 3.47Å; Y220-W311 VanDerWaalsContact CE1-CZ3 3.47Å; Y220-W311 HydrophobicContact CG-CZ3 4.19Å; Y220-P313 HydrophobicContact CD1-CB 3.98Å; Y220-P313 HydrophobicContact CG-CB 3.83Å; Y220-P314 HydrophobicContact CD2-CG 4.18Å; Y220-P314 VanDerWaalsContact CE2-CD 3.42Å; Y220-P314 HydrophobicContact CE2-CG 3.82Å
221	R	89.2	Confident	95.3	Very high	15 Å²	15	18.6 Å²	18.6	6%	0.057	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.7	-169.8	84.9	-163.4	93	-159.7	2.8	112.9	C217 D218 V223 V233 W234 L259 P314 V316	C217-R221 VanDerWaalsContact CA-O 3.32Å; C217-R221 WeakPolarHBondContact CA-O 3.35Å; C217-R221 WeakPolarHBondContact CB-O 3.24Å; D218-R221 PolarHBondContact N-O 2.89Å; D218-R221 PolarHBondContact OD1-N 2.84Å; D218-R221 IonicContact OD1-NE 2.65Å; D218-R221 IonicContact OD2-CZ 3.21Å; D218-R221 IonicContact OD2-NE 3.36Å; D218-R221 PolarHBondContact OD2-NE 3.17Å; D218-R221 IonicContact OD2-NH2 2.73Å; D218-R221 PolarHBondContact OD2-NH2 3.15Å; D218-R221 VanDerWaalsContact OD2-NH2 3.16Å; R221-V223 HydrophobicContact CG-CG2 4.16Å; R221-V233 HydrophobicContact CB-CG1 4.02Å; R221-V233 HydrophobicContact CG-CG1 4.09Å; R221-W234 CarbonylContact C-O 3.56Å; R221-W234 WeakPolarHBondContact CA-O 3.34Å; R221-W234 WeakPolarHBondContact CB-O 3.13Å; R221-L259 HydrophobicContact CG-CD1 4.34Å; R221-P314 PolarHBondContact NH2-O 3.36Å; R221-V316 VanDerWaalsContact NH2-CG1 3.3Å
222	I	93.6	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.7	168.3	-51	171.9	0	0	0	106.3	F205 I215 V233 W234 I236 I580 V588 L590	F205-I222 HydrophobicContact CD2-CD1 4.44Å; F205-I222 HydrophobicContact CE1-CD1 4.46Å; F205-I222 HydrophobicContact CE2-CD1 3.79Å; F205-I222 HydrophobicContact CZ-CD1 3.79Å; I215-I222 HydrophobicContact CD1-CG2 3.65Å; I215-I222 HydrophobicContact CG1-CG2 3.77Å; I222-V233 CarbonylContact O-C 3.59Å; I222-V233 WeakPolarHBondContact O-CA 3.02Å; I222-W234 HydrophobicContact CB-CB 4.14Å; I222-W234 HydrophobicContact CB-CG 4.39Å; I222-W234 PolarHBondContact N-O 3.47Å; I222-W234 VanDerWaalsContact O-CD1 3.31Å; I222-W234 PolarHBondContact O-N 3.12Å; I222-I236 HydrophobicContact CD1-CG1 4.26Å; I222-I236 HydrophobicContact CG1-CB 4.27Å; I222-I236 HydrophobicContact CG1-CD1 4.42Å; I222-I236 HydrophobicContact CG1-CG1 4.01Å; I222-I580 HydrophobicContact CD1-CD1 3.85Å; I222-I580 HydrophobicContact CD1-CG2 4.13Å; I222-I580 HydrophobicContact CG1-CD1 3.76Å; I222-I580 HydrophobicContact CG2-CD1 4.45Å; I222-I580 HydrophobicContact CG2-CG2 4Å; I222-V588 HydrophobicContact CG2-CG1 4.25Å; I222-L590 HydrophobicContact CD1-CD1 3.92Å
223	V	95.5	Very high	94.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.4	173.5	-178.3	0	0	0	0	108.9	I215 D216 R221 I231 R232 V233 V257 L259 L318 L332	I215-V223 CarbonylContact C-O 3.57Å; I215-V223 VanDerWaalsContact CA-O 3.25Å; I215-V223 WeakPolarHBondContact CA-O 3.28Å; I215-V223 WeakPolarHBondContact CG1-O 3.09Å; D216-V223 PolarHBondContact N-O 3.33Å; D216-V223 PolarHBondContact O-N 3.13Å; R221-V223 HydrophobicContact CG-CG2 4.16Å; V223-I231 HydrophobicContact CG1-CG2 3.3Å; V223-R232 CarbonylContact C-O 3.55Å; V223-R232 VanDerWaalsContact CA-O 3.29Å; V223-R232 WeakPolarHBondContact CA-O 3.3Å; V223-V233 HydrophobicContact CG2-CG1 4.23Å; V223-V233 HydrophobicContact CG2-CG2 4.14Å; V223-V257 HydrophobicContact CG1-CG1 4.47Å; V223-L259 HydrophobicContact CG2-CD1 4.02Å; V223-L259 HydrophobicContact CG2-CD2 4.04Å; V223-L259 HydrophobicContact CG2-CG 4.26Å; V223-L318 HydrophobicContact CB-CD1 4.42Å; V223-L318 HydrophobicContact CG1-CD1 3.78Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; V223-L318 HydrophobicContact CG1-CG 4.48Å; V223-L332 HydrophobicContact CG2-CD1 4.47Å
224	S	98.2	Very high	94.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.5	178.4	58.7	0	0	0	0	111.7	H208 C214 I231 R232 W234	H208-S224 PolarHBondContact CD2-OG 2.85Å; H208-S224 PolarHBondContact NE2-O 3.03Å; H208-S224 PolarHBondContact NE2-OG 2.98Å; C214-S224 WeakPolarHBondContact O-CA 3.45Å; S224-I231 CarbonylContact O-C 3.51Å; S224-I231 VanDerWaalsContact O-CA 3.26Å; S224-I231 WeakPolarHBondContact O-CA 3.42Å; S224-I231 WeakPolarHBondContact O-CG2 3.47Å; S224-R232 PolarHBondContact N-O 2.88Å; S224-R232 PolarHBondContact O-N 2.97Å; S224-W234 PolarHBondContact OG-NE1 3.2Å
225	G	98.4	Very high	94.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	142.2	170.8	0	0	0	0	0	111.2	Y213 C214	Y213-G225 PolarHBondContact N-O 2.96Å; C214-G225 PolarHBondContact N-O 3.39Å; C214-G225 PolarHBondContact O-N 2.73Å; C214-G225 VanDerWaalsContact SG-CA 3.59Å
226	S	98.6	Very high	93.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164	-170	172.4	0	0	0	0	113.4	H208 G210 A211 D228 A229 T230 A253 V254	H208-S226 VanDerWaalsContact CE1-CB 3.42Å; H208-S226 WeakPolarHBondContact CE1-CB 3.41Å; H208-S226 WeakPolarHBondContact ND1-CB 3.2Å; G210-S226 VanDerWaalsContact C-OG 3.29Å; G210-S226 PolarHBondContact O-OG 3.36Å; A211-S226 CarbonylContact O-C 3.5Å; A211-S226 WeakPolarHBondContact O-CA 3.17Å; A211-S226 WeakPolarHBondContact O-CB 3.2Å; A211-S226 PolarHBondContact O-OG 2.92Å; S226-D228 VanDerWaalsContact CB-OD1 3.3Å; S226-D228 WeakPolarHBondContact CB-OD1 3.48Å; S226-D228 PolarHBondContact O-N 2.84Å; S226-D228 PolarHBondContact OG-N 3.39Å; S226-D228 PolarHBondContact OG-OD1 3.47Å; S226-A229 PolarHBondContact O-N 3.09Å; S226-T230 PolarHBondContact N-O 3.16Å; S226-A253 WeakPolarHBondContact O-CA 3.3Å; S226-V254 PolarHBondContact O-N 2.96Å
227	A	98.6	Very high	93.2	Very high	34 Å²	34	24 Å²	24	28%	0.281	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.8	166.1	0	0	0	0	0	113.5	A211 Y213 A229	A211-A227 HydrophobicContact CB-CB 4.29Å; A211-A227 PolarHBondContact O-N 2.69Å; Y213-A227 HydrophobicContact CD2-CB 4.25Å; Y213-A227 HydrophobicContact CE2-CB 3.45Å; Y213-A227 VanDerWaalsContact CE2-CB 3.45Å; A227-A229 PolarHBondContact O-N 2.87Å; A227-A229 VanDerWaalsContact O-N 3.15Å
228	D	98.2	Very high	92.8	Very high	29 Å²	29	24.9 Å²	24.9	16%	0.155	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	12.3	177.5	68.2	16.3	0	0	0	114.9	H208 S209 S226 T230	H208-D228 VanDerWaalsContact CA-OD2 3.32Å; H208-D228 WeakPolarHBondContact CA-OD2 3.06Å; H208-D228 WeakPolarHBondContact CB-OD2 3.43Å; H208-D228 IonicContact CE1-OD1 3.57Å; H208-D228 IonicContact CE1-OD2 3.32Å; H208-D228 IonicContact CG-OD2 2.76Å; H208-D228 IonicContact ND1-OD1 2.71Å; H208-D228 PolarHBondContact ND1-OD1 3.13Å; H208-D228 IonicContact ND1-OD2 3.2Å; H208-D228 PolarHBondContact ND1-OD2 2.61Å; S209-D228 PolarHBondContact N-OD2 3.09Å; S209-D228 WeakPolarHBondContact OG-CB 3.37Å; S226-D228 VanDerWaalsContact CB-OD1 3.3Å; S226-D228 WeakPolarHBondContact CB-OD1 3.48Å; S226-D228 PolarHBondContact O-N 2.84Å; S226-D228 PolarHBondContact OG-N 3.39Å; S226-D228 PolarHBondContact OG-OD1 3.47Å; D228-T230 VanDerWaalsContact CG-OG1 3.28Å; D228-T230 PolarHBondContact O-N 2.77Å; D228-T230 VanDerWaalsContact O-N 3.15Å; D228-T230 WeakPolarHBondContact OD1-CA 3.16Å; D228-T230 VanDerWaalsContact OD1-CB 3.32Å; D228-T230 WeakPolarHBondContact OD1-CB 3.35Å; D228-T230 PolarHBondContact OD1-N 2.99Å; D228-T230 PolarHBondContact OD1-OG1 2.88Å; D228-T230 PolarHBondContact OD2-OG1 3.28Å
229	A	98.3	Very high	92.4	Very high	21 Å²	21	27.7 Å²	27.7	17%	0.174	15%	0.145	C	C	.	.	S	Bend	trans	60.4	14.5	-176.6	0	0	0	0	0	114.9	S226 A227 D252	S226-A229 PolarHBondContact O-N 3.09Å; A227-A229 PolarHBondContact O-N 2.87Å; A227-A229 VanDerWaalsContact O-N 3.15Å; A229-D252 WeakPolarHBondContact CA-O 3.45Å; A229-D252 WeakPolarHBondContact CB-O 3.31Å
230	T	97.4	Very high	92.2	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.025	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157	177.3	76.1	0	0	0	0	112.5	H208 S226 D228 T246 R248	H208-T230 PolarHBondContact CE1-OG1 2.8Å; H208-T230 PolarHBondContact ND1-OG1 3Å; S226-T230 PolarHBondContact N-O 3.16Å; D228-T230 VanDerWaalsContact CG-OG1 3.28Å; D228-T230 PolarHBondContact O-N 2.77Å; D228-T230 VanDerWaalsContact O-N 3.15Å; D228-T230 WeakPolarHBondContact OD1-CA 3.16Å; D228-T230 VanDerWaalsContact OD1-CB 3.32Å; D228-T230 WeakPolarHBondContact OD1-CB 3.35Å; D228-T230 PolarHBondContact OD1-N 2.99Å; D228-T230 PolarHBondContact OD1-OG1 2.88Å; D228-T230 PolarHBondContact OD2-OG1 3.28Å; T230-T246 HydrophobicContact CG2-CG2 4Å; T230-R248 HydrophobicContact CG2-CG 4.21Å
231	I	97.2	Very high	91.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.5	165.7	-54.9	170.4	0	0	0	107.4	V223 S224 T246 L247 V254 V257 L318 S320 W330	V223-I231 HydrophobicContact CG1-CG2 3.3Å; S224-I231 CarbonylContact O-C 3.51Å; S224-I231 VanDerWaalsContact O-CA 3.26Å; S224-I231 WeakPolarHBondContact O-CA 3.42Å; S224-I231 WeakPolarHBondContact O-CG2 3.47Å; I231-T246 CarbonylContact O-C 3.58Å; I231-T246 WeakPolarHBondContact O-CA 3.46Å; I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.2Å; I231-L247 HydrophobicContact CB-CG 4.21Å; I231-L247 HydrophobicContact CG2-CD1 4.22Å; I231-L247 PolarHBondContact N-O 2.8Å; I231-L247 VanDerWaalsContact N-O 3.14Å; I231-L247 PolarHBondContact O-N 3.43Å; I231-V254 HydrophobicContact CD1-CG1 4.32Å; I231-V254 HydrophobicContact CG1-CB 4.41Å; I231-V254 HydrophobicContact CG1-CG1 4.05Å; I231-V254 HydrophobicContact CG1-CG2 3.92Å; I231-V257 HydrophobicContact CD1-CG1 4.47Å; I231-L318 HydrophobicContact CD1-CD2 4.26Å; I231-L318 HydrophobicContact CG2-CD2 4.03Å; I231-S320 VanDerWaalsContact CD1-CB 3.4Å; I231-S320 WeakPolarHBondContact CD1-OG 3.35Å; I231-W330 HydrophobicContact CD1-CZ2 4.23Å
232	R	95.3	Very high	90.9	Very high	49 Å²	49	41.8 Å²	41.8	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.9	173.4	-71.8	-179.9	172.6	-112.1	-3.7	110.9	G207 V223 S224 W234 V244 Q245 T246	G207-R232 PolarHBondContact O-NE 3.27Å; G207-R232 PolarHBondContact O-NH2 3.09Å; V223-R232 CarbonylContact C-O 3.55Å; V223-R232 VanDerWaalsContact CA-O 3.29Å; V223-R232 WeakPolarHBondContact CA-O 3.3Å; S224-R232 PolarHBondContact N-O 2.88Å; S224-R232 PolarHBondContact O-N 2.97Å; R232-W234 HydrophobicContact CB-CD2 4.36Å; R232-W234 HydrophobicContact CB-CH2 4.31Å; R232-W234 HydrophobicContact CB-CZ2 3.5Å; R232-W234 VanDerWaalsContact CD-CH2 3.41Å; R232-W234 HydrophobicContact CG-CH2 4.49Å; R232-W234 HydrophobicContact CG-CZ2 4.03Å; R232-V244 HydrophobicContact CB-CG1 4.26Å; R232-V244 HydrophobicContact CG-CG1 4.43Å; R232-Q245 CarbonylContact C-O 3.58Å; R232-Q245 VanDerWaalsContact CA-O 3.32Å; R232-Q245 WeakPolarHBondContact CA-O 3.44Å; R232-T246 HydrophobicContact CG-CG2 4.32Å
233	V	94	Very high	89.9	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.3	174	-173	0	0	0	0	107.4	R221 I222 V223 V244 Q245 L247 L332	R221-V233 HydrophobicContact CB-CG1 4.02Å; R221-V233 HydrophobicContact CG-CG1 4.09Å; I222-V233 CarbonylContact O-C 3.59Å; I222-V233 WeakPolarHBondContact O-CA 3.02Å; V223-V233 HydrophobicContact CG2-CG1 4.23Å; V223-V233 HydrophobicContact CG2-CG2 4.14Å; V233-V244 WeakPolarHBondContact O-CA 3.23Å; V233-Q245 HydrophobicContact CB-CB 4.29Å; V233-Q245 PolarHBondContact N-O 2.69Å; V233-Q245 PolarHBondContact O-N 3.14Å; V233-L247 HydrophobicContact CG2-CD1 4.25Å; V233-L247 HydrophobicContact CG2-CD2 4.47Å; V233-L247 HydrophobicContact CG2-CG 4.36Å; V233-L332 HydrophobicContact CG2-CD1 4.16Å; V233-L332 HydrophobicContact CG2-CD2 4.45Å
234	W	92.2	Very high	89.4	Confident	6 Å²	6	44.3 Å²	44.3	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.9	-176.8	-39.3	84.2	0	0	0	109.7	F205 H208 R221 I222 S224 R232 I236 V244	F205-W234 HydrophobicContact CB-CD2 4.13Å; F205-W234 HydrophobicContact CB-CE3 3.85Å; F205-W234 HydrophobicContact CB-CH2 4.36Å; F205-W234 HydrophobicContact CB-CZ3 3.98Å; F205-W234 HydrophobicContact CD1-CB 4.03Å; F205-W234 HydrophobicContact CD1-CD2 4.15Å; F205-W234 AromaticContact CD1-CE3 3.83Å; F205-W234 HydrophobicContact CD1-CE3 3.83Å; F205-W234 HydrophobicContact CD1-CG 4.25Å; F205-W234 HydrophobicContact CE1-CB 4.13Å; F205-W234 HydrophobicContact CG-CD2 4.44Å; F205-W234 HydrophobicContact CG-CE3 4.27Å; H208-W234 AromaticContact CD2-CZ2 3.9Å; R221-W234 CarbonylContact C-O 3.56Å; R221-W234 WeakPolarHBondContact CA-O 3.34Å; R221-W234 WeakPolarHBondContact CB-O 3.13Å; I222-W234 HydrophobicContact CB-CB 4.14Å; I222-W234 HydrophobicContact CB-CG 4.39Å; I222-W234 PolarHBondContact N-O 3.47Å; I222-W234 VanDerWaalsContact O-CD1 3.31Å; I222-W234 PolarHBondContact O-N 3.12Å; S224-W234 PolarHBondContact OG-NE1 3.2Å; R232-W234 HydrophobicContact CB-CD2 4.36Å; R232-W234 HydrophobicContact CB-CH2 4.31Å; R232-W234 HydrophobicContact CB-CZ2 3.5Å; R232-W234 VanDerWaalsContact CD-CH2 3.41Å; R232-W234 HydrophobicContact CG-CH2 4.49Å; R232-W234 HydrophobicContact CG-CZ2 4.03Å; W234-I236 PolarHBondContact O-N 2.9Å; W234-V244 HydrophobicContact CD2-CG1 3.99Å; W234-V244 HydrophobicContact CD2-CG2 4.31Å; W234-V244 HydrophobicContact CE3-CB 4.08Å; W234-V244 HydrophobicContact CE3-CG1 3.54Å; W234-V244 HydrophobicContact CE3-CG2 3.31Å; W234-V244 HydrophobicContact CH2-CG1 4.22Å; W234-V244 HydrophobicContact CZ3-CB 4.3Å; W234-V244 HydrophobicContact CZ3-CG1 3.66Å; W234-V244 HydrophobicContact CZ3-CG2 3.67Å
235	N	88.7	Confident	88.9	Confident	56 Å²	56	47.5 Å²	47.5	30%	0.299	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.1	169.5	-173.1	-48.8	0	0	0	110.1	R237 T238	N235-R237 PolarHBondContact O-N 2.91Å; N235-R237 WeakPolarHBondContact OD1-CA 3.2Å; N235-R237 WeakPolarHBondContact OD1-CB 3.43Å; N235-R237 PolarHBondContact OD1-N 3.38Å; N235-T238 HydrophobicContact CB-CG2 3.7Å; N235-T238 PolarHBondContact O-N 3.26Å; N235-T238 PolarHBondContact OD1-N 3.08Å
236	I	88.1	Confident	88.6	Confident	13 Å²	13	50 Å²	50	7%	0.067	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.1	-177.3	-158.8	168.3	0	0	0	112.9	R203 D218 A219 Y220 I222 W234 I580 L590	R203-I236 PolarHBondContact NH1-O 3.13Å; R203-I236 PolarHBondContact NH2-O 2.85Å; D218-I236 WeakPolarHBondContact O-CD1 3.45Å; A219-I236 WeakPolarHBondContact O-CG2 3.34Å; Y220-I236 VanDerWaalsContact O-CG2 3.3Å; Y220-I236 WeakPolarHBondContact O-CG2 3.26Å; Y220-I236 PolarHBondContact O-N 3.47Å; I222-I236 HydrophobicContact CD1-CG1 4.26Å; I222-I236 HydrophobicContact CG1-CB 4.27Å; I222-I236 HydrophobicContact CG1-CD1 4.42Å; I222-I236 HydrophobicContact CG1-CG1 4.01Å; W234-I236 PolarHBondContact O-N 2.9Å; I236-I580 HydrophobicContact CD1-CD1 4.31Å; I236-L590 HydrophobicContact CG1-CD1 3.85Å
237	R	86	Confident	88.4	Confident	112 Å²	112	50.5 Å²	50.5	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.8	-177.9	-59.4	179.6	83.3	89.4	0.1	113	R203 N235 I291 W311	R203-R237 PolarHBondContact NH1-O 2.92Å; R203-R237 VanDerWaalsContact NH1-O 3.09Å; N235-R237 PolarHBondContact O-N 2.91Å; N235-R237 WeakPolarHBondContact OD1-CA 3.2Å; N235-R237 WeakPolarHBondContact OD1-CB 3.43Å; N235-R237 PolarHBondContact OD1-N 3.38Å; R237-I291 PolarHBondContact NH1-O 2.76Å; R237-W311 HydrophobicContact CG-CZ3 4.44Å
238	T	84.3	Confident	88.2	Confident	38 Å²	38	58 Å²	58	23%	0.233	27%	0.269	C	S	.	.			trans	-139.1	138.4	-177.5	177.7	0	0	0	0	111.8	N235 A240	N235-T238 HydrophobicContact CB-CG2 3.7Å; N235-T238 PolarHBondContact O-N 3.26Å; N235-T238 PolarHBondContact OD1-N 3.08Å; T238-A240 VanDerWaalsContact C-N 3.28Å; T238-A240 VanDerWaalsContact OG1-CB 3.27Å; T238-A240 WeakPolarHBondContact OG1-CB 3.48Å; T238-A240 PolarHBondContact OG1-N 3.13Å; T238-A240 VanDerWaalsContact OG1-N 3.12Å
239	N	80.2	Confident	87.9	Confident	87 Å²	87	58.7 Å²	58.7	47%	0.465	28%	0.283	S	S	.	.			trans	-93.6	16.7	172.2	65.1	-19.6	0	0	0	112.3	F205 K241	F205-N239 HydrophobicContact CD1-CB 4Å; F205-N239 HydrophobicContact CE1-CB 3.82Å; F205-N239 HydrophobicContact CZ-CB 4.26Å; N239-K241 PolarHBondContact O-N 2.84Å
240	A	79.3	Confident	87.9	Confident	21 Å²	21	58.4 Å²	58.4	17%	0.174	28%	0.278	C	S	.	.			trans	-67.4	131.3	179.4	0	0	0	0	0	111.3	T238 W242 S243	T238-A240 VanDerWaalsContact C-N 3.28Å; T238-A240 VanDerWaalsContact OG1-CB 3.27Å; T238-A240 WeakPolarHBondContact OG1-CB 3.48Å; T238-A240 PolarHBondContact OG1-N 3.13Å; T238-A240 VanDerWaalsContact OG1-N 3.12Å; A240-W242 HydrophobicContact CB-CD2 4.1Å; A240-W242 VanDerWaalsContact CB-CE2 3.47Å; A240-W242 HydrophobicContact CB-CG 4.33Å; A240-W242 HydrophobicContact CB-CZ2 3.79Å; A240-W242 PolarHBondContact O-N 2.7Å; A240-W242 VanDerWaalsContact O-N 3.17Å; A240-S243 WeakPolarHBondContact O-CB 3.3Å; A240-S243 PolarHBondContact O-N 2.79Å; A240-S243 PolarHBondContact O-OG 2.96Å
241	K	76.3	Confident	87.9	Confident	183 Å²	183	63.2 Å²	63.2	80%	0.796	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.5	-175.5	-67.8	-177.2	178.5	179.2	0	114	N239 S243 V244	N239-K241 PolarHBondContact O-N 2.84Å; K241-S243 PolarHBondContact O-N 3.41Å; K241-V244 PolarHBondContact O-N 3.06Å
242	W	69.8	Low	87.9	Confident	214 Å²	214	67 Å²	67	81%	0.811	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.8	-15.6	179.6	54.1	-107.1	0	0	0	113.6	A240 V244	A240-W242 HydrophobicContact CB-CD2 4.1Å; A240-W242 VanDerWaalsContact CB-CE2 3.47Å; A240-W242 HydrophobicContact CB-CG 4.33Å; A240-W242 HydrophobicContact CB-CZ2 3.79Å; A240-W242 PolarHBondContact O-N 2.7Å; A240-W242 VanDerWaalsContact O-N 3.17Å; W242-V244 VanDerWaalsContact C-N 3.27Å; W242-V244 PolarHBondContact O-N 2.85Å
243	S	74.1	Confident	88.1	Confident	23 Å²	23	65.1 Å²	65.1	16%	0.161	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-89.6	11.5	-179.3	72.6	0	0	0	0	113.6	A240 K241	A240-S243 WeakPolarHBondContact O-CB 3.3Å; A240-S243 PolarHBondContact O-N 2.79Å; A240-S243 PolarHBondContact O-OG 2.96Å; K241-S243 PolarHBondContact O-N 3.41Å
244	V	83.7	Confident	88.3	Confident	29 Å²	29	64.7 Å²	64.7	18%	0.176	33%	0.325	C	S	.	.			trans	-108.8	125.6	-172.1	-173.1	0	0	0	0	110.2	R232 V233 W234 K241 W242	R232-V244 HydrophobicContact CB-CG1 4.26Å; R232-V244 HydrophobicContact CG-CG1 4.43Å; V233-V244 WeakPolarHBondContact O-CA 3.23Å; W234-V244 HydrophobicContact CD2-CG1 3.99Å; W234-V244 HydrophobicContact CD2-CG2 4.31Å; W234-V244 HydrophobicContact CE3-CB 4.08Å; W234-V244 HydrophobicContact CE3-CG1 3.54Å; W234-V244 HydrophobicContact CE3-CG2 3.31Å; W234-V244 HydrophobicContact CH2-CG1 4.22Å; W234-V244 HydrophobicContact CZ3-CB 4.3Å; W234-V244 HydrophobicContact CZ3-CG1 3.66Å; W234-V244 HydrophobicContact CZ3-CG2 3.67Å; K241-V244 PolarHBondContact O-N 3.06Å; W242-V244 VanDerWaalsContact C-N 3.27Å; W242-V244 PolarHBondContact O-N 2.85Å
245	Q	88.6	Confident	88.6	Confident	67 Å²	67	66.7 Å²	66.7	31%	0.313	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.7	171.2	-65.2	170	-18.4	0	0	109.3	R232 V233 I341	R232-Q245 CarbonylContact C-O 3.58Å; R232-Q245 VanDerWaalsContact CA-O 3.32Å; R232-Q245 WeakPolarHBondContact CA-O 3.44Å; V233-Q245 HydrophobicContact CB-CB 4.29Å; V233-Q245 PolarHBondContact N-O 2.69Å; V233-Q245 PolarHBondContact O-N 3.14Å; Q245-I341 HydrophobicContact CB-CD1 3.89Å; Q245-I341 VanDerWaalsContact CD-CD1 3.47Å; Q245-I341 HydrophobicContact CG-CD1 4.12Å
246	T	92.2	Very high	89.1	Confident	54 Å²	54	64.5 Å²	64.5	33%	0.331	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.5	177.1	-56.3	0	0	0	0	109.1	T230 I231 R232	T230-T246 HydrophobicContact CG2-CG2 4Å; I231-T246 CarbonylContact O-C 3.58Å; I231-T246 WeakPolarHBondContact O-CA 3.46Å; R232-T246 HydrophobicContact CG-CG2 4.32Å
247	L	93.6	Very high	89.6	Confident	9 Å²	9	64.6 Å²	64.6	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.9	178.3	-38.7	-174	0	0	0	108.5	I231 V233 L318 W330 L332 I341	I231-L247 HydrophobicContact CB-CB 4.1Å; I231-L247 HydrophobicContact CB-CD1 4.2Å; I231-L247 HydrophobicContact CB-CG 4.21Å; I231-L247 HydrophobicContact CG2-CD1 4.22Å; I231-L247 PolarHBondContact N-O 2.8Å; I231-L247 VanDerWaalsContact N-O 3.14Å; I231-L247 PolarHBondContact O-N 3.43Å; V233-L247 HydrophobicContact CG2-CD1 4.25Å; V233-L247 HydrophobicContact CG2-CD2 4.47Å; V233-L247 HydrophobicContact CG2-CG 4.36Å; L247-L318 HydrophobicContact CD1-CD2 3.83Å; L247-W330 HydrophobicContact CB-CE3 4.31Å; L247-W330 HydrophobicContact CB-CH2 4.45Å; L247-W330 HydrophobicContact CB-CZ3 4.15Å; L247-W330 HydrophobicContact CD1-CB 4.42Å; L247-W330 HydrophobicContact CD1-CD2 4.13Å; L247-W330 HydrophobicContact CD1-CE3 4.19Å; L247-W330 HydrophobicContact CD1-CG 4.24Å; L247-L332 HydrophobicContact CD1-CD2 3.97Å; L247-I341 HydrophobicContact CD1-CG2 4.09Å; L247-I341 HydrophobicContact CD2-CB 4.14Å; L247-I341 HydrophobicContact CD2-CD1 3.42Å; L247-I341 VanDerWaalsContact CD2-CD1 3.42Å; L247-I341 HydrophobicContact CD2-CG1 4.26Å; L247-I341 HydrophobicContact CD2-CG2 3.42Å; L247-I341 VanDerWaalsContact CD2-CG2 3.42Å; L247-I341 HydrophobicContact CG-CG2 4.34Å
248	R	94.3	Very high	90.1	Very high	192 Å²	192	60.1 Å²	60.1	73%	0.725	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.7	174.7	-65.4	-177.2	177.4	-85.6	1.1	108.7	T230	T230-R248 HydrophobicContact CG2-CG 4.21Å
249	G	92.7	Very high	90.5	Very high	44 Å²	44	59.3 Å²	59.3	45%	0.454	30%	0.3	S	S	.	.			trans	160.7	-17.3	176.7	0	0	0	0	0	114.3	K328	G249-K328 WeakPolarHBondContact O-CE 3.5Å; G249-K328 PolarHBondContact O-NZ 3.01Å
250	H	97.6	Very high	91.1	Very high	15 Å²	15	55.8 Å²	55.8	7%	0.069	28%	0.282	C	S	.	.			trans	-77.5	146.6	159.1	-78.8	-64.1	0	0	0	110	V254 S320 S322 D324 T326	H250-V254 HydrophobicContact CB-CG2 4.2Å; H250-S320 PolarHBondContact CD2-OG 2.78Å; H250-S320 PolarHBondContact NE2-OG 3.48Å; H250-S322 VanDerWaalsContact CE1-CB 3.49Å; H250-S322 WeakPolarHBondContact CE1-CB 3.43Å; H250-S322 WeakPolarHBondContact ND1-CB 3.47Å; H250-D324 VanDerWaalsContact CA-OD2 3.23Å; H250-D324 WeakPolarHBondContact CA-OD2 3.4Å; H250-D324 WeakPolarHBondContact CB-OD2 3.42Å; H250-D324 IonicContact CE1-OD1 3.52Å; H250-D324 IonicContact CE1-OD2 3.73Å; H250-D324 IonicContact CG-OD2 3.44Å; H250-D324 IonicContact ND1-OD1 3.3Å; H250-D324 PolarHBondContact ND1-OD1 2.83Å; H250-D324 IonicContact ND1-OD2 2.74Å; H250-D324 PolarHBondContact ND1-OD2 3.16Å; H250-T326 PolarHBondContact CE1-OG1 3.05Å
251	S	97.5	Very high	91.3	Very high	105 Å²	105	58.7 Å²	58.7	73%	0.734	30%	0.301	S	S	*	.	S	Bend	trans	-97.5	-4.1	178.4	57.6	0	0	0	0	113.6	D324	S251-D324 PolarHBondContact N-OD2 3.5Å; S251-D324 VanDerWaalsContact N-OD2 3.08Å; S251-D324 VanDerWaalsContact OG-CB 3.25Å; S251-D324 WeakPolarHBondContact OG-CB 3.47Å
252	D	98.3	Very high	91.3	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	27%	0.272	S	S	.	.	S	Bend	trans	-149.7	175.8	179.5	-154.9	-16.3	0	0	0	110.6	A229 V254 S322 A323 D324	A229-D252 WeakPolarHBondContact CA-O 3.45Å; A229-D252 WeakPolarHBondContact CB-O 3.31Å; D252-V254 PolarHBondContact O-N 3.5Å; D252-S322 PolarHBondContact O-OG 2.91Å; D252-A323 HydrophobicContact CB-CB 3.9Å; D252-D324 HydrophobicContact CB-CB 4.01Å
253	A	98.6	Very high	90.8	Very high	11 Å²	11	46.6 Å²	46.6	9%	0.091	27%	0.266	C	S	.	.			trans	-46	128.5	-174.8	0	0	0	0	0	113.9	Y213 S226 R255 S322 A323	Y213-A253 HydrophobicContact CD2-CB 4.25Å; Y213-A253 HydrophobicContact CE2-CB 3.93Å; S226-A253 WeakPolarHBondContact O-CA 3.3Å; A253-R255 PolarHBondContact O-N 2.85Å; A253-S322 CarbonylContact O-C 3.55Å; A253-S322 VanDerWaalsContact O-CA 3.26Å; A253-S322 WeakPolarHBondContact O-CA 3.39Å; A253-S322 WeakPolarHBondContact O-CB 3.36Å; A253-S322 PolarHBondContact O-OG 2.91Å; A253-S322 VanDerWaalsContact O-OG 3.04Å; A253-A323 HydrophobicContact CB-CB 4.21Å; A253-A323 PolarHBondContact O-N 2.84Å
254	V	98.7	Very high	89.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.5	175.4	-175.4	0	0	0	0	109.2	S226 I231 H250 D252 V257	S226-V254 PolarHBondContact O-N 2.96Å; I231-V254 HydrophobicContact CD1-CG1 4.32Å; I231-V254 HydrophobicContact CG1-CB 4.41Å; I231-V254 HydrophobicContact CG1-CG1 4.05Å; I231-V254 HydrophobicContact CG1-CG2 3.92Å; H250-V254 HydrophobicContact CB-CG2 4.2Å; D252-V254 PolarHBondContact O-N 3.5Å; V254-V257 HydrophobicContact CG1-CG1 4.01Å
255	R	98.6	Very high	87.4	Confident	47 Å²	47	60 Å²	60	18%	0.177	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-19.5	-170.6	-64.8	-63.3	-67	-82.4	3.6	114	C214 A253 G321 T353 V354 R355 Y369	C214-R255 VanDerWaalsContact SG-C 3.59Å; A253-R255 PolarHBondContact O-N 2.85Å; R255-G321 PolarHBondContact N-O 2.79Å; R255-T353 HydrophobicContact CG-CG2 3.83Å; R255-V354 WeakPolarHBondContact CB-O 3.34Å; R255-R355 VanDerWaalsContact NH2-NE 3.16Å; R255-Y369 PolarHBondContact NH2-OH 2.81Å; R255-Y369 VanDerWaalsContact NH2-OH 3.14Å
256	C	98.3	Very high	84.7	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.1	174.5	58.8	0	0	0	0	111.6	C214 S320 G321 C356 V357	C214-C256 VanDerWaalsContact SG-C 3.5Å; C214-C256 WeakPolarHBondContact SG-CA 3.42Å; C214-C256 PolarHBondContact SG-N 2.83Å; C214-C256 VanDerWaalsContact SG-N 3.42Å; C256-S320 CarbonylContact O-C 3.58Å; C256-S320 VanDerWaalsContact O-CA 3.28Å; C256-S320 WeakPolarHBondContact O-CA 3.39Å; C256-G321 PolarHBondContact N-O 2.93Å; C256-G321 PolarHBondContact O-N 2.97Å; C256-G321 VanDerWaalsContact SG-CA 3.57Å; C256-C356 VanDerWaalsContact SG-C 3.56Å; C256-V357 HydrophobicContact CB-CB 4.49Å; C256-V357 HydrophobicContact CB-CG1 3.97Å
257	V	98	Very high	81.6	Confident	15 Å²	15	68.1 Å²	68.1	9%	0.091	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151	174	-70.3	0	0	0	0	109.5	C214 D216 V223 I231 V254 L318 I319	C214-V257 HydrophobicContact CB-CG2 4.04Å; D216-V257 HydrophobicContact CB-CG2 4.18Å; V223-V257 HydrophobicContact CG1-CG1 4.47Å; I231-V257 HydrophobicContact CD1-CG1 4.47Å; V254-V257 HydrophobicContact CG1-CG1 4.01Å; V257-L318 HydrophobicContact CB-CD1 4.07Å; V257-L318 HydrophobicContact CG1-CD1 4.41Å; V257-I319 CarbonylContact C-O 3.58Å; V257-I319 VanDerWaalsContact CA-O 3.23Å; V257-I319 WeakPolarHBondContact CA-O 3.3Å
258	Q	96.9	Very high	78.6	Confident	18 Å²	18	73.9 Å²	73.9	8%	0.084	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.7	170.5	-170.9	179.6	-6.4	0	0	111.6	D216 L318 I319 V357 Q358 A359	D216-Q258 WeakPolarHBondContact OD2-CA 3.29Å; Q258-L318 WeakPolarHBondContact O-CA 3.49Å; Q258-I319 PolarHBondContact N-O 2.95Å; Q258-I319 PolarHBondContact O-N 2.99Å; Q258-V357 HydrophobicContact CB-CG1 4.12Å; Q258-Q358 VanDerWaalsContact OE1-C 3.23Å; Q258-A359 PolarHBondContact NE2-O 3.06Å
259	L	94	Very high	75.4	Confident	21 Å²	21	69.9 Å²	69.9	11%	0.11	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.5	174	-73.4	169.9	0	0	0	111.8	D216 D218 R221 V223 V316 L318 L332	D216-L259 PolarHBondContact OD2-N 2.82Å; D218-L259 HydrophobicContact CB-CD1 4.31Å; R221-L259 HydrophobicContact CG-CD1 4.34Å; V223-L259 HydrophobicContact CG2-CD1 4.02Å; V223-L259 HydrophobicContact CG2-CD2 4.04Å; V223-L259 HydrophobicContact CG2-CG 4.26Å; L259-V316 HydrophobicContact CD2-CB 4.45Å; L259-V316 HydrophobicContact CD2-CG2 3.77Å; L259-L318 HydrophobicContact CD2-CB 4.1Å; L259-L318 HydrophobicContact CD2-CD1 4.07Å; L259-L318 HydrophobicContact CG-CD1 4.38Å; L259-L332 HydrophobicContact CD2-CD1 4.21Å
260	L	91.5	Very high	72.4	Confident	14 Å²	14	74.4 Å²	74.4	7%	0.073	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.4	173.2	-63.8	174.9	0	0	0	109.4	V316 L317 I319 A359 D360 I378	L260-V316 WeakPolarHBondContact O-CA 3.24Å; L260-V316 WeakPolarHBondContact O-CB 3.21Å; L260-L317 HydrophobicContact CB-CB 4.32Å; L260-L317 HydrophobicContact CD1-CD2 4.41Å; L260-L317 PolarHBondContact N-O 3.21Å; L260-L317 PolarHBondContact O-N 2.87Å; L260-I319 HydrophobicContact CD1-CD1 3.57Å; L260-I319 HydrophobicContact CG-CD1 4.35Å; L260-A359 HydrophobicContact CD1-CB 3.95Å; L260-D360 VanDerWaalsContact CD1-O 3.24Å; L260-D360 WeakPolarHBondContact CD1-O 3.24Å; L260-I378 HydrophobicContact CD1-CD1 3.66Å
261	S	84.3	Confident	69.2	Low	82 Å²	82	80.7 Å²	80.7	57%	0.573	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.7	174	-55.8	0	0	0	0	110.9	H361	S261-H361 PolarHBondContact O-CE1 2.91Å; S261-H361 PolarHBondContact O-ND1 3.31Å
262	L	75.2	Confident	66	Low	38 Å²	38	83 Å²	83	20%	0.199	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-82.7	135.5	174.4	-66.3	175.4	0	0	0	110.2	H264 E315 L317	L262-H264 PolarHBondContact O-N 3.34Å; L262-E315 HydrophobicContact CD1-CB 4.23Å; L262-E315 HydrophobicContact CD1-CG 3.79Å; L262-E315 PolarHBondContact N-O 2.88Å; L262-L317 HydrophobicContact CD2-CB 4.08Å
263	P	59.3	Low	62.8	Low	105 Å²	105	86.6 Å²	86.6	68%	0.682	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-60.7	129.8	170.1	23.3	-29.4	0	0	0	108.7	Y265	P263-Y265 PolarHBondContact O-N 3.42Å
264	H	50.3	Low	59.5	Low	140 Å²	140	93.2 Å²	93.2	65%	0.648	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-65.8	118.6	173	-75.5	47.1	0	0	0	107.6	L262 Q266	L262-H264 PolarHBondContact O-N 3.34Å; H264-Q266 PolarHBondContact O-N 3.26Å
265	Y	36.9	Very low	56.2	Low	194 Å²	194	99.9 Å²	99.9	76%	0.761	52%	0.518	S	S	*	.			trans	-64.6	103.6	173.6	-165.5	-92.3	0	0	0	107.6	P263 L267	P263-Y265 PolarHBondContact O-N 3.42Å; Y265-L267 PolarHBondContact O-N 2.92Å; Y265-L267 VanDerWaalsContact O-N 3.13Å
266	Q	31.9	Very low	52.8	Low	153 Å²	153	104.1 Å²	104.1	72%	0.715	54%	0.544	S	S	*	.			trans	-66.1	111.9	168.1	-72.2	-178.9	-7.6	0	0	106.3	H264 N268	H264-Q266 PolarHBondContact O-N 3.26Å; Q266-N268 PolarHBondContact O-N 3.41Å
267	L	27.9	Very low	49.5	Very low	138 Å²	138	107.8 Å²	107.8	72%	0.723	58%	0.583	S	S	*	*			trans	-57.1	113.4	172.8	-140.6	92.1	0	0	0	106.9	Y265 N269	Y265-L267 PolarHBondContact O-N 2.92Å; Y265-L267 VanDerWaalsContact O-N 3.13Å; L267-N269 PolarHBondContact O-N 3.32Å
268	N	29.2	Very low	46.1	Very low	130 Å²	130	115.3 Å²	115.3	70%	0.695	61%	0.611	S	S	*	*			trans	-60.7	104.7	171.4	-83.1	-20.7	0	0	0	107.4	Q266 N270	Q266-N268 PolarHBondContact O-N 3.41Å; N268-N270 PolarHBondContact O-N 2.93Å
269	N	27.6	Very low	42.8	Very low	107 Å²	107	119.8 Å²	119.8	57%	0.572	64%	0.643	S	S	*	*			trans	-68.2	63.6	174.2	-95	-3.1	0	0	0	111	L267	L267-N269 PolarHBondContact O-N 3.32Å
270	N	30.1	Very low	39.6	Very low	139 Å²	139	124 Å²	124	74%	0.743	68%	0.675	S	S	*	*			trans	-112.8	3.8	171.8	-80.6	2.4	0	0	0	113.7	N268	N268-N270 PolarHBondContact O-N 2.93Å
271	N	30.6	Very low	36.4	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	70%	0.703	S	S	*	*			trans	-106.1	83.2	171.7	-69.3	-5.5	0	0	0	109.2	N273	N271-N273 VanDerWaalsContact C-N 3.25Å; N271-N273 PolarHBondContact O-N 3.35Å
272	N	29.7	Very low	33.7	Very low	153 Å²	153	129.6 Å²	129.6	82%	0.818	71%	0.71	S	S	*	*			trans	-57.6	91.4	160	-77.4	-19	0	0	0	108.3
273	N	32	Very low	31.5	Very low	155 Å²	155	131.6 Å²	131.6	83%	0.829	73%	0.726	S	S	*	*			trans	-149.8	88.8	158.5	-86.5	-28.2	0	0	0	107.9	N271	N271-N273 VanDerWaalsContact C-N 3.25Å; N271-N273 PolarHBondContact O-N 3.35Å
274	N	28.8	Very low	30	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	73%	0.728	S	S	*	*			trans	30.3	123.6	145.2	-98	-12.2	0	0	0	119.7
275	I	29.7	Very low	28.8	Very low	141 Å²	141	133.1 Å²	133.1	72%	0.723	73%	0.732	S	S	*	*			trans	80.4	89.3	151.1	-47.9	152.7	0	0	0	113.9
276	D	26.9	Very low	28.3	Very low	136 Å²	136	128.6 Å²	128.6	73%	0.727	73%	0.727	S	S	*	*	S	Bend		-168.1	138.5	122.3	-84.9	-26.8	0	0	0	109.5	Y278	D276-Y278 WeakPolarHBondContact O-CD2 3.49Å; D276-Y278 PolarHBondContact O-N 2.86Å
277	G	28.1	Very low	28	Very low	86 Å²	86	127.6 Å²	127.6	89%	0.887	73%	0.725	S	S	*	*			trans	-52.8	112.7	-164	0	0	0	0	0	115.5
278	Y	27	Very low	28.1	Very low	174 Å²	174	127 Å²	127	68%	0.682	72%	0.718	S	S	*	*			trans	-78.3	119.5	177.5	-71.8	-91	0	0	0	112	D276 S280	D276-Y278 WeakPolarHBondContact O-CD2 3.49Å; D276-Y278 PolarHBondContact O-N 2.86Å; Y278-S280 PolarHBondContact O-N 2.9Å
279	C	26.9	Very low	28.3	Very low	111 Å²	111	124.2 Å²	124.2	75%	0.75	70%	0.701	S	S	*	*			trans	-78.9	94.9	153.8	-176.2	0	0	0	0	108.2	T281	C279-T281 VanDerWaalsContact C-N 3.31Å; C279-T281 PolarHBondContact O-N 2.94Å
280	S	26.8	Very low	28.8	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	68%	0.684	S	S	*	*			trans	-78.3	74.4	174.5	60.3	0	0	0	0	110.6	Y278	Y278-S280 PolarHBondContact O-N 2.9Å
281	T	26.3	Very low	28.9	Very low	108 Å²	108	117.3 Å²	117.3	66%	0.663	67%	0.666	S	S	*	*			trans	-125.1	121.2	162.3	55.9	0	0	0	0	109.7	C279	C279-T281 VanDerWaalsContact C-N 3.31Å; C279-T281 PolarHBondContact O-N 2.94Å
282	S	27.6	Very low	29.1	Very low	104 Å²	104	113.1 Å²	113.1	73%	0.727	65%	0.652	S	S	*	*			trans	-54.4	141.8	170.7	-69.2	0	0	0	0	108.9	V284	S282-V284 PolarHBondContact O-N 2.73Å
283	P	28.1	Very low	29.1	Very low	81 Å²	81	108.5 Å²	108.5	53%	0.526	63%	0.632	S	S	.	*			trans	-59.4	112.7	-172.9	24	-32.3	0	0	0	108.3	H285	P283-H285 PolarHBondContact O-N 2.84Å
284	V	26.8	Very low	28.9	Very low	119 Å²	119	106.1 Å²	106.1	72%	0.721	62%	0.618	S	S	*	*			trans	-63.5	89.6	166.3	-179.4	0	0	0	0	104.7	S282 C286	S282-V284 PolarHBondContact O-N 2.73Å; V284-C286 PolarHBondContact O-N 2.8Å
285	H	26.1	Very low	28.8	Very low	158 Å²	158	104.5 Å²	104.5	73%	0.731	62%	0.616	S	S	*	*			trans	-54.6	103.5	159.9	-84.9	-72.9	0	0	0	104.5	P283 I287	P283-H285 PolarHBondContact O-N 2.84Å; H285-I287 VanDerWaalsContact C-N 3.26Å; H285-I287 WeakPolarHBondContact O-CG1 3.04Å; H285-I287 PolarHBondContact O-N 3.32Å
286	C	26.8	Very low	28.9	Very low	98 Å²	98	101.5 Å²	101.5	66%	0.662	61%	0.606	S	S	*	*			trans	-56.8	95.5	179.8	-69.2	0	0	0	0	108	V284 H288	V284-C286 PolarHBondContact O-N 2.8Å; C286-H288 PolarHBondContact O-N 2.8Å
287	I	25.9	Very low	29.2	Very low	133 Å²	133	100.5 Å²	100.5	68%	0.682	61%	0.61	S	S	*	*			trans	-76.1	56.6	170.3	-33.7	176.4	0	0	0	106.4	H285	H285-I287 VanDerWaalsContact C-N 3.26Å; H285-I287 WeakPolarHBondContact O-CG1 3.04Å; H285-I287 PolarHBondContact O-N 3.32Å
288	H	29.5	Very low	29.4	Very low	124 Å²	124	103.5 Å²	103.5	57%	0.574	61%	0.605	S	S	*	*			trans	-126	90.8	-177.7	-92.3	-70.2	0	0	0	110.6	C286 I294	C286-H288 PolarHBondContact O-N 2.8Å; H288-I294 WeakPolarHBondContact CE1-CD1 3.28Å; H288-I294 VanDerWaalsContact ND1-CD1 3.28Å; H288-I294 WeakPolarHBondContact ND1-CD1 3.31Å
289	E	33.8	Very low	29.5	Very low	73 Å²	73	99.8 Å²	99.8	34%	0.341	60%	0.603	S	S	.	*	S	Bend	trans	-48.7	134.4	151.7	-58.5	-177.8	158	0	0	108.5	S139 R188	S139-E289 WeakPolarHBondContact CB-OE1 3.29Å; S139-E289 PolarHBondContact OG-OE1 3.25Å; R188-E289 IonicContact CZ-OE1 3.02Å; R188-E289 IonicContact CZ-OE2 3.91Å; R188-E289 IonicContact NE-OE2 3.58Å; R188-E289 PolarHBondContact NE-OE2 3.16Å; R188-E289 IonicContact NH2-OE1 3.19Å; R188-E289 PolarHBondContact NH2-OE1 3.48Å; R188-E289 IonicContact NH2-OE2 3.77Å; R188-E289 PolarHBondContact NH2-OE2 2.89Å
290	S	36.7	Very low	29.6	Very low	30 Å²	30	103.9 Å²	103.9	21%	0.21	61%	0.608	C	S	.	*			trans	78.2	98.3	-170.3	72.2	0	0	0	0	115.1	K187 A292	K187-S290 PolarHBondContact NZ-OG 3.26Å; S290-A292 PolarHBondContact O-N 3.24Å
291	I	32.6	Very low	29.8	Very low	70 Å²	70	105.6 Å²	105.6	36%	0.359	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	-4.4	175.9	-73.1	164.3	0	0	0	113	A219 R237	A219-I291 HydrophobicContact CB-CD1 3.78Å; A219-I291 HydrophobicContact CB-CG1 4.25Å; R237-I291 PolarHBondContact NH1-O 2.76Å
292	A	34.7	Very low	30	Very low	61 Å²	61	106 Å²	106	50%	0.504	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.1	-4.4	-163.3	0	0	0	0	0	118.5	S290	S290-A292 PolarHBondContact O-N 3.24Å
293	S	31.1	Very low	30.3	Very low	56 Å²	56	108.4 Å²	108.4	39%	0.392	62%	0.617	S	S	.	*			trans	-142.1	48.4	-167.2	52.7	0	0	0	0	117.7	K187	K187-S293 PolarHBondContact NZ-OG 2.82Å
294	I	27	Very low	30.7	Very low	105 Å²	105	110.2 Å²	110.2	54%	0.538	63%	0.626	S	S	.	*			trans	-130.5	96.1	160	-49.7	176	0	0	0	108.9	H288 C296	H288-I294 WeakPolarHBondContact CE1-CD1 3.28Å; H288-I294 VanDerWaalsContact ND1-CD1 3.28Å; H288-I294 WeakPolarHBondContact ND1-CD1 3.31Å; I294-C296 PolarHBondContact O-N 3.24Å
295	P	26	Very low	31	Very low	116 Å²	116	108.1 Å²	108.1	75%	0.753	61%	0.614	S	S	*	*			trans	-62.3	119.5	153.8	-7.8	24.3	0	0	0	106.4	S297	P295-S297 PolarHBondContact O-N 2.86Å
296	C	33.4	Very low	31	Very low	78 Å²	78	107 Å²	107	53%	0.527	62%	0.618	S	S	.	*			trans	-58.1	103.6	172.1	-179.1	0	0	0	0	107.9	I294 L298 C299	I294-C296 PolarHBondContact O-N 3.24Å; C296-L298 PolarHBondContact O-N 2.69Å; C296-C299 PolarHBondContact O-SG 2.75Å
297	S	32.3	Very low	31.4	Very low	114 Å²	114	110.5 Å²	110.5	80%	0.797	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-1.2	172.7	51.1	0	0	0	0	112.3	P295	P295-S297 PolarHBondContact O-N 2.86Å
298	L	32.6	Very low	31.8	Very low	149 Å²	149	109.1 Å²	109.1	78%	0.78	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	1.2	-179.8	-142.5	77.3	0	0	0	113.9	C296 K300	C296-L298 PolarHBondContact O-N 2.69Å; L298-K300 PolarHBondContact O-N 2.83Å
299	C	28.2	Very low	32.3	Very low	96 Å²	96	110.4 Å²	110.4	65%	0.649	63%	0.63	S	S	*	*			trans	-83.2	25.9	172.1	58.8	0	0	0	0	113.7	C296	C296-C299 PolarHBondContact O-SG 2.75Å
300	K	29.4	Very low	32.8	Very low	198 Å²	198	110.5 Å²	110.5	86%	0.861	64%	0.637	S	S	*	*			trans	-103.4	30	169.4	-82.7	-166.7	175.9	-174	0	113.1	L298	L298-K300 PolarHBondContact O-N 2.83Å
301	L	32.1	Very low	33.6	Very low	146 Å²	146	115.2 Å²	115.2	76%	0.764	65%	0.651	S	S	*	*	S	Bend	trans	-119.3	120.6	168.3	-134.4	73.1	0	0	0	108.7
302	D	28.5	Very low	35.3	Very low	118 Å²	118	115.4 Å²	115.4	63%	0.631	65%	0.65	S	S	*	*			trans	68.5	101.2	-178.9	-76.4	-27.8	0	0	0	119.3	T304	D302-T304 PolarHBondContact O-N 3.03Å; D302-T304 VanDerWaalsContact O-N 3.12Å
303	T	35.7	Very low	37.2	Very low	154 Å²	154	114 Å²	114	95%	0.945	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	16.7	170.4	46.9	0	0	0	0	114.3
304	T	35.5	Very low	39.5	Very low	118 Å²	118	113.2 Å²	113.2	72%	0.724	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-2.9	178.8	55.4	0	0	0	0	114	D302	D302-T304 PolarHBondContact O-N 3.03Å; D302-T304 VanDerWaalsContact O-N 3.12Å
305	V	33.9	Very low	42.3	Very low	76 Å²	76	111 Å²	111	46%	0.461	62%	0.616	S	S	.	*			trans	-123.3	99.2	171.4	-172.6	0	0	0	0	108.1	Y307	V305-Y307 HydrophobicContact CB-CD2 4.49Å; V305-Y307 HydrophobicContact CB-CE2 4.11Å; V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.34Å; V305-Y307 HydrophobicContact CG1-CE1 4.27Å; V305-Y307 HydrophobicContact CG1-CE2 4.12Å; V305-Y307 WeakPolarHBondContact O-CD2 3.19Å; V305-Y307 PolarHBondContact O-N 2.9Å
306	T	26.2	Very low	45.3	Very low	135 Å²	135	105.5 Å²	105.5	83%	0.828	58%	0.581	S	S	*	*			trans	-60.4	88.6	162.7	41.7	0	0	0	0	108	P308	T306-P308 WeakPolarHBondContact O-CD 3.43Å; T306-P308 VanDerWaalsContact O-N 3.09Å
307	Y	33.6	Very low	48.2	Very low	170 Å²	170	102.8 Å²	102.8	67%	0.667	56%	0.561	S	S	*	*			trans	-63.4	106.8	160.3	-65.3	-82.4	0	0	0	105.1	V305 N309	V305-Y307 HydrophobicContact CB-CD2 4.49Å; V305-Y307 HydrophobicContact CB-CE2 4.11Å; V305-Y307 HydrophobicContact CG1-CD1 4.48Å; V305-Y307 HydrophobicContact CG1-CD2 4.34Å; V305-Y307 HydrophobicContact CG1-CE1 4.27Å; V305-Y307 HydrophobicContact CG1-CE2 4.12Å; V305-Y307 WeakPolarHBondContact O-CD2 3.19Å; V305-Y307 PolarHBondContact O-N 2.9Å; Y307-N309 PolarHBondContact O-N 3.33Å; Y307-N309 VanDerWaalsContact O-N 3.15Å
308	P	35	Very low	51.2	Low	105 Å²	105	97.4 Å²	97.4	68%	0.682	52%	0.523	S	S	*	.			trans	-60.1	131.2	166.8	0.8	16.2	0	0	0	104	T306 C310	T306-P308 WeakPolarHBondContact O-CD 3.43Å; T306-P308 VanDerWaalsContact O-N 3.09Å; P308-C310 HydrophobicContact CB-CB 4.46Å; P308-C310 PolarHBondContact O-N 2.62Å
309	N	40.2	Very low	54.3	Low	151 Å²	151	90.3 Å²	90.3	81%	0.807	49%	0.486	S	S	*	.			trans	-62.2	55.2	170.5	-72.7	-51.1	0	0	0	110.3	Y307 W311	Y307-N309 PolarHBondContact O-N 3.33Å; Y307-N309 VanDerWaalsContact O-N 3.15Å; N309-W311 PolarHBondContact O-N 2.86Å
310	C	43.2	Very low	57.6	Low	74 Å²	74	85.7 Å²	85.7	50%	0.5	46%	0.455	S	S	.	.			trans	-74.6	82.4	-168.7	-150.4	0	0	0	0	107.3	P308 E312	P308-C310 HydrophobicContact CB-CB 4.46Å; P308-C310 PolarHBondContact O-N 2.62Å; C310-E312 HydrophobicContact CB-CG 4.23Å; C310-E312 PolarHBondContact O-N 3.49Å; C310-E312 WeakPolarHBondContact SG-CG 3.39Å; C310-E312 PolarHBondContact SG-OE1 2.93Å
311	W	54.7	Low	60.9	Low	130 Å²	130	76.3 Å²	76.3	49%	0.492	41%	0.414	S	S	.	.			trans	-62.9	78.6	163.4	-103	69.4	0	0	0	107.5	Y220 R237 N309 P313	Y220-W311 AromaticContact CD1-CE3 3.52Å; Y220-W311 HydrophobicContact CD1-CE3 3.52Å; Y220-W311 HydrophobicContact CD1-CH2 4.21Å; Y220-W311 AromaticContact CD1-CZ3 3.24Å; Y220-W311 HydrophobicContact CD1-CZ3 3.24Å; Y220-W311 AromaticContact CE1-CE3 3.8Å; Y220-W311 HydrophobicContact CE1-CE3 3.8Å; Y220-W311 HydrophobicContact CE1-CH2 4.05Å; Y220-W311 AromaticContact CE1-CZ3 3.47Å; Y220-W311 HydrophobicContact CE1-CZ3 3.47Å; Y220-W311 VanDerWaalsContact CE1-CZ3 3.47Å; Y220-W311 HydrophobicContact CG-CZ3 4.19Å; R237-W311 HydrophobicContact CG-CZ3 4.44Å; N309-W311 PolarHBondContact O-N 2.86Å; W311-P313 WeakPolarHBondContact O-CD 3.38Å
312	E	67.5	Low	64.1	Low	73 Å²	73	69.3 Å²	69.3	34%	0.341	38%	0.378	S	S	.	.			trans	-85.7	110.9	170.7	-65.1	-169.6	-167.6	0	0	108	C310 T335 S336	C310-E312 HydrophobicContact CB-CG 4.23Å; C310-E312 PolarHBondContact O-N 3.49Å; C310-E312 WeakPolarHBondContact SG-CG 3.39Å; C310-E312 PolarHBondContact SG-OE1 2.93Å; E312-T335 WeakPolarHBondContact OE2-CA 3.32Å; E312-S336 VanDerWaalsContact CD-N 3.27Å; E312-S336 WeakPolarHBondContact OE1-CA 3.37Å; E312-S336 WeakPolarHBondContact OE1-CB 3.45Å; E312-S336 PolarHBondContact OE1-N 2.98Å; E312-S336 PolarHBondContact OE1-OG 2.99Å; E312-S336 PolarHBondContact OE2-N 2.83Å
313	P	75.5	Confident	67.4	Low	31 Å²	31	64.6 Å²	64.6	20%	0.201	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-67	136.5	176.3	28.4	-32.2	0	0	0	109	Y220 W311 A334	Y220-P313 HydrophobicContact CD1-CB 3.98Å; Y220-P313 HydrophobicContact CG-CB 3.83Å; W311-P313 WeakPolarHBondContact O-CD 3.38Å; P313-A334 HydrophobicContact CG-CB 3.69Å
314	P	79.6	Confident	70.4	Confident	41 Å²	41	58.4 Å²	58.4	27%	0.266	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-60.1	156.7	-179	26.6	-34.9	0	0	0	110.7	Y220 R221 V316	Y220-P314 HydrophobicContact CD2-CG 4.18Å; Y220-P314 VanDerWaalsContact CE2-CD 3.42Å; Y220-P314 HydrophobicContact CE2-CG 3.82Å; R221-P314 PolarHBondContact NH2-O 3.36Å; P314-V316 PolarHBondContact O-N 3.04Å
315	E	84.7	Confident	73.4	Confident	57 Å²	57	55 Å²	55	27%	0.266	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-67.1	137.5	177.4	-162.6	176.3	-150.2	0	0	111.5	L262 R331 L332 S333	L262-E315 HydrophobicContact CD1-CB 4.23Å; L262-E315 HydrophobicContact CD1-CG 3.79Å; L262-E315 PolarHBondContact N-O 2.88Å; E315-R331 HydrophobicContact CG-CG 4.21Å; E315-R331 WeakPolarHBondContact OE1-CD 3.42Å; E315-R331 VanDerWaalsContact OE1-CG 3.23Å; E315-R331 WeakPolarHBondContact OE1-CG 3.44Å; E315-R331 IonicContact OE1-CZ 3.85Å; E315-R331 IonicContact OE1-NE 2.84Å; E315-R331 PolarHBondContact OE1-NE 3.47Å; E315-R331 IonicContact OE1-NH2 2.8Å; E315-R331 IonicContact OE2-CZ 3.63Å; E315-R331 IonicContact OE2-NE 2.85Å; E315-R331 PolarHBondContact OE2-NE 2.89Å; E315-R331 IonicContact OE2-NH2 3.41Å; E315-R331 PolarHBondContact OE2-NH2 2.75Å; E315-L332 WeakPolarHBondContact CA-O 3.49Å; E315-S333 VanDerWaalsContact OE1-CB 3.28Å; E315-S333 WeakPolarHBondContact OE1-CB 3.25Å; E315-S333 PolarHBondContact OE1-OG 3.39Å
316	V	90.4	Very high	76.5	Confident	2 Å²	2	52 Å²	52	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.7	179.1	-59.8	0	0	0	0	110.9	R221 L259 L260 P314 L332	R221-V316 VanDerWaalsContact NH2-CG1 3.3Å; L259-V316 HydrophobicContact CD2-CB 4.45Å; L259-V316 HydrophobicContact CD2-CG2 3.77Å; L260-V316 WeakPolarHBondContact O-CA 3.24Å; L260-V316 WeakPolarHBondContact O-CB 3.21Å; P314-V316 PolarHBondContact O-N 3.04Å; V316-L332 HydrophobicContact CG2-CB 3.75Å; V316-L332 HydrophobicContact CG2-CD1 3.93Å; V316-L332 HydrophobicContact CG2-CG 4.21Å; V316-L332 PolarHBondContact N-O 2.64Å; V316-L332 PolarHBondContact O-N 2.88Å
317	L	92.9	Very high	79.9	Confident	21 Å²	21	45.6 Å²	45.6	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125	168.3	-173.2	69.3	0	0	0	108.6	L260 L262 L329 I378	L260-L317 HydrophobicContact CB-CB 4.32Å; L260-L317 HydrophobicContact CD1-CD2 4.41Å; L260-L317 PolarHBondContact N-O 3.21Å; L260-L317 PolarHBondContact O-N 2.87Å; L262-L317 HydrophobicContact CD2-CB 4.08Å; L317-L329 HydrophobicContact CD1-CB 4.17Å; L317-L329 HydrophobicContact CD1-CG 4.46Å; L317-L329 HydrophobicContact CD2-CD2 4.29Å; L317-I378 HydrophobicContact CD2-CD1 3.47Å; L317-I378 VanDerWaalsContact CD2-CD1 3.47Å; L317-I378 HydrophobicContact CD2-CG1 3.91Å
318	L	95.6	Very high	83	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134	172.3	167.6	72	0	0	0	108.6	V223 I231 L247 V257 Q258 L259 L329 W330 L332	V223-L318 HydrophobicContact CB-CD1 4.42Å; V223-L318 HydrophobicContact CG1-CD1 3.78Å; V223-L318 HydrophobicContact CG1-CD2 3.84Å; V223-L318 HydrophobicContact CG1-CG 4.48Å; I231-L318 HydrophobicContact CD1-CD2 4.26Å; I231-L318 HydrophobicContact CG2-CD2 4.03Å; L247-L318 HydrophobicContact CD1-CD2 3.83Å; V257-L318 HydrophobicContact CB-CD1 4.07Å; V257-L318 HydrophobicContact CG1-CD1 4.41Å; Q258-L318 WeakPolarHBondContact O-CA 3.49Å; L259-L318 HydrophobicContact CD2-CB 4.1Å; L259-L318 HydrophobicContact CD2-CD1 4.07Å; L259-L318 HydrophobicContact CG-CD1 4.38Å; L318-L329 CarbonylContact O-C 3.6Å; L318-L329 WeakPolarHBondContact O-CA 3.44Å; L318-W330 HydrophobicContact CB-CB 4.13Å; L318-W330 HydrophobicContact CD2-CB 4.25Å; L318-W330 HydrophobicContact CD2-CG 4.17Å; L318-W330 HydrophobicContact CG-CB 4.49Å; L318-W330 PolarHBondContact N-O 3.3Å; L318-W330 PolarHBondContact O-N 3.14Å; L318-L332 HydrophobicContact CB-CD1 3.97Å; L318-L332 HydrophobicContact CB-CG 4.2Å; L318-L332 HydrophobicContact CD2-CD1 4.25Å
319	I	97.7	Very high	85.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.2	171.7	-60	153.6	0	0	0	107.8	V257 Q258 L260 L327 K328 L329 V357 A359 V364 I378	V257-I319 CarbonylContact C-O 3.58Å; V257-I319 VanDerWaalsContact CA-O 3.23Å; V257-I319 WeakPolarHBondContact CA-O 3.3Å; Q258-I319 PolarHBondContact N-O 2.95Å; Q258-I319 PolarHBondContact O-N 2.99Å; L260-I319 HydrophobicContact CD1-CD1 3.57Å; L260-I319 HydrophobicContact CG-CD1 4.35Å; I319-L327 HydrophobicContact CG2-CD2 4.22Å; I319-K328 CarbonylContact C-O 3.55Å; I319-K328 WeakPolarHBondContact CA-O 3.39Å; I319-L329 HydrophobicContact CG1-CD1 4.21Å; I319-L329 HydrophobicContact CG1-CG 4.08Å; I319-L329 HydrophobicContact CG2-CD1 4.35Å; I319-V357 HydrophobicContact CG2-CG2 3.88Å; I319-A359 HydrophobicContact CD1-CB 3.21Å; I319-V364 HydrophobicContact CD1-CG2 3.76Å; I319-V364 HydrophobicContact CG1-CG2 4.48Å; I319-V364 HydrophobicContact CG2-CG1 4.1Å; I319-I378 HydrophobicContact CD1-CD1 4.22Å
320	S	98.5	Very high	88.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.1	174.8	60.2	0	0	0	0	111.4	I231 H250 C256 L327 K328 W330	I231-S320 VanDerWaalsContact CD1-CB 3.4Å; I231-S320 WeakPolarHBondContact CD1-OG 3.35Å; H250-S320 PolarHBondContact CD2-OG 2.78Å; H250-S320 PolarHBondContact NE2-OG 3.48Å; C256-S320 CarbonylContact O-C 3.58Å; C256-S320 VanDerWaalsContact O-CA 3.28Å; C256-S320 WeakPolarHBondContact O-CA 3.39Å; S320-L327 CarbonylContact O-C 3.44Å; S320-L327 WeakPolarHBondContact O-CA 3.19Å; S320-L327 WeakPolarHBondContact O-CB 2.88Å; S320-K328 PolarHBondContact N-O 2.9Å; S320-K328 PolarHBondContact O-N 2.96Å; S320-W330 PolarHBondContact OG-NE1 2.78Å
321	G	98.6	Very high	90.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.4	170.2	0	0	0	0	0	110.8	R255 C256	R255-G321 PolarHBondContact N-O 2.79Å; C256-G321 PolarHBondContact N-O 2.93Å; C256-G321 PolarHBondContact O-N 2.97Å; C256-G321 VanDerWaalsContact SG-CA 3.57Å
322	S	98.8	Very high	92.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	163.5	-171.9	169.3	0	0	0	0	112.9	H250 D252 A253 D324 T325 T326 V354	H250-S322 VanDerWaalsContact CE1-CB 3.49Å; H250-S322 WeakPolarHBondContact CE1-CB 3.43Å; H250-S322 WeakPolarHBondContact ND1-CB 3.47Å; D252-S322 PolarHBondContact O-OG 2.91Å; A253-S322 CarbonylContact O-C 3.55Å; A253-S322 VanDerWaalsContact O-CA 3.26Å; A253-S322 WeakPolarHBondContact O-CA 3.39Å; A253-S322 WeakPolarHBondContact O-CB 3.36Å; A253-S322 PolarHBondContact O-OG 2.91Å; A253-S322 VanDerWaalsContact O-OG 3.04Å; S322-D324 VanDerWaalsContact CB-OD1 3.31Å; S322-D324 WeakPolarHBondContact CB-OD1 3.41Å; S322-D324 PolarHBondContact O-N 2.76Å; S322-D324 VanDerWaalsContact OG-CG 3.29Å; S322-D324 PolarHBondContact OG-N 2.89Å; S322-D324 PolarHBondContact OG-OD1 3.32Å; S322-T325 PolarHBondContact O-N 2.6Å; S322-T326 PolarHBondContact N-O 2.93Å; S322-T326 VanDerWaalsContact N-O 3.16Å; S322-V354 PolarHBondContact O-N 2.85Å
323	A	98.7	Very high	92.7	Very high	19 Å²	19	20.6 Å²	20.6	16%	0.157	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.6	164.4	0	0	0	0	0	112.9	D252 A253 T325 T353	D252-A323 HydrophobicContact CB-CB 3.9Å; A253-A323 HydrophobicContact CB-CB 4.21Å; A253-A323 PolarHBondContact O-N 2.84Å; A323-T325 PolarHBondContact O-N 3.03Å; A323-T353 HydrophobicContact CB-CG2 4.25Å
324	D	98.5	Very high	92.1	Very high	23 Å²	23	20.5 Å²	20.5	12%	0.123	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	11	173.4	74.3	12.4	0	0	0	114.5	H250 S251 D252 S322 T326	H250-D324 VanDerWaalsContact CA-OD2 3.23Å; H250-D324 WeakPolarHBondContact CA-OD2 3.4Å; H250-D324 WeakPolarHBondContact CB-OD2 3.42Å; H250-D324 IonicContact CE1-OD1 3.52Å; H250-D324 IonicContact CE1-OD2 3.73Å; H250-D324 IonicContact CG-OD2 3.44Å; H250-D324 IonicContact ND1-OD1 3.3Å; H250-D324 PolarHBondContact ND1-OD1 2.83Å; H250-D324 IonicContact ND1-OD2 2.74Å; H250-D324 PolarHBondContact ND1-OD2 3.16Å; S251-D324 PolarHBondContact N-OD2 3.5Å; S251-D324 VanDerWaalsContact N-OD2 3.08Å; S251-D324 VanDerWaalsContact OG-CB 3.25Å; S251-D324 WeakPolarHBondContact OG-CB 3.47Å; D252-D324 HydrophobicContact CB-CB 4.01Å; S322-D324 VanDerWaalsContact CB-OD1 3.31Å; S322-D324 WeakPolarHBondContact CB-OD1 3.41Å; S322-D324 PolarHBondContact O-N 2.76Å; S322-D324 VanDerWaalsContact OG-CG 3.29Å; S322-D324 PolarHBondContact OG-N 2.89Å; S322-D324 PolarHBondContact OG-OD1 3.32Å; D324-T326 PolarHBondContact O-N 2.79Å; D324-T326 WeakPolarHBondContact OD1-CA 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.39Å; D324-T326 PolarHBondContact OD1-N 3.4Å; D324-T326 PolarHBondContact OD1-OG1 2.94Å; D324-T326 PolarHBondContact OD2-OG1 2.89Å
325	T	98.7	Very high	90.9	Very high	48 Å²	48	21.8 Å²	21.8	29%	0.294	12%	0.118	S	C	.	.	S	Bend	trans	69.2	2.5	179.4	77.2	0	0	0	0	115.3	S322 A323 H350	S322-T325 PolarHBondContact O-N 2.6Å; A323-T325 PolarHBondContact O-N 3.03Å; T325-H350 WeakPolarHBondContact CB-O 3.27Å
326	T	98.3	Very high	89.4	Confident	11 Å²	11	23.1 Å²	23.1	7%	0.067	13%	0.133	C	C	.	.			trans	-108.3	157.6	-177.5	75.7	0	0	0	0	113	H250 S322 D324 T346 Q348	H250-T326 PolarHBondContact CE1-OG1 3.05Å; S322-T326 PolarHBondContact N-O 2.93Å; S322-T326 VanDerWaalsContact N-O 3.16Å; D324-T326 PolarHBondContact O-N 2.79Å; D324-T326 WeakPolarHBondContact OD1-CA 3.31Å; D324-T326 WeakPolarHBondContact OD1-CB 3.39Å; D324-T326 PolarHBondContact OD1-N 3.4Å; D324-T326 PolarHBondContact OD1-OG1 2.94Å; D324-T326 PolarHBondContact OD2-OG1 2.89Å; T326-T346 HydrophobicContact CG2-CG2 4.11Å; T326-Q348 HydrophobicContact CG2-CG 4.03Å
327	L	98.5	Very high	87.3	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	147.9	157.2	-60.1	97.3	0	0	0	110.6	I319 S320 T346 L347 V354 V357 V364	I319-L327 HydrophobicContact CG2-CD2 4.22Å; S320-L327 CarbonylContact O-C 3.44Å; S320-L327 WeakPolarHBondContact O-CA 3.19Å; S320-L327 WeakPolarHBondContact O-CB 2.88Å; L327-T346 CarbonylContact O-C 3.51Å; L327-T346 WeakPolarHBondContact O-CA 3.37Å; L327-L347 HydrophobicContact CB-CB 4.11Å; L327-L347 HydrophobicContact CB-CD1 4.15Å; L327-L347 HydrophobicContact CB-CG 4.35Å; L327-L347 HydrophobicContact CD1-CB 4.48Å; L327-L347 PolarHBondContact N-O 3.31Å; L327-L347 PolarHBondContact O-N 2.73Å; L327-V354 HydrophobicContact CD1-CB 4.49Å; L327-V354 HydrophobicContact CD1-CG1 3.94Å; L327-V354 HydrophobicContact CD1-CG2 3.89Å; L327-V354 HydrophobicContact CD2-CG1 3.97Å; L327-V354 HydrophobicContact CG-CB 4.45Å; L327-V354 HydrophobicContact CG-CG1 3.84Å; L327-V354 HydrophobicContact CG-CG2 4.27Å; L327-V357 HydrophobicContact CD2-CB 4.24Å; L327-V357 HydrophobicContact CD2-CG2 3.7Å; L327-V364 HydrophobicContact CD2-CG1 4.16Å
328	K	98	Very high	85	Confident	27 Å²	27	37.8 Å²	37.8	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.8	176.2	-69.5	177.3	-170.4	-78.9	0	111.1	G249 I319 S320 W330 C345 T346	G249-K328 WeakPolarHBondContact O-CE 3.5Å; G249-K328 PolarHBondContact O-NZ 3.01Å; I319-K328 CarbonylContact C-O 3.55Å; I319-K328 WeakPolarHBondContact CA-O 3.39Å; S320-K328 PolarHBondContact N-O 2.9Å; S320-K328 PolarHBondContact O-N 2.96Å; K328-W330 HydrophobicContact CB-CZ2 3.81Å; K328-W330 HydrophobicContact CD-CH2 4.15Å; K328-W330 HydrophobicContact CD-CZ2 3.65Å; K328-W330 HydrophobicContact CG-CZ2 4.36Å; K328-C345 WeakPolarHBondContact CA-O 3.35Å; K328-T346 HydrophobicContact CG-CG2 4.18Å; K328-T346 PolarHBondContact NZ-OG1 2.8Å
329	L	96	Very high	83.1	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.8	175	-85.1	62.8	0	0	0	108.6	L317 L318 I319 C343 T344 C345 L347 I378	L317-L329 HydrophobicContact CD1-CB 4.17Å; L317-L329 HydrophobicContact CD1-CG 4.46Å; L317-L329 HydrophobicContact CD2-CD2 4.29Å; L318-L329 CarbonylContact O-C 3.6Å; L318-L329 WeakPolarHBondContact O-CA 3.44Å; I319-L329 HydrophobicContact CG1-CD1 4.21Å; I319-L329 HydrophobicContact CG1-CG 4.08Å; I319-L329 HydrophobicContact CG2-CD1 4.35Å; L329-C343 CarbonylContact O-C 3.56Å; L329-C343 WeakPolarHBondContact O-CA 3.41Å; L329-T344 WeakPolarHBondContact CB-OG1 3.18Å; L329-T344 PolarHBondContact O-N 2.94Å; L329-T344 PolarHBondContact O-OG1 3.16Å; L329-C345 HydrophobicContact CB-CB 4.12Å; L329-C345 HydrophobicContact CD2-CB 4.25Å; L329-C345 PolarHBondContact N-O 2.94Å; L329-L347 HydrophobicContact CD1-CD1 3.91Å; L329-L347 HydrophobicContact CD1-CG 4.1Å; L329-I378 HydrophobicContact CD2-CG1 3.89Å
330	W	94.5	Very high	81.5	Confident	11 Å²	11	49 Å²	49	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.4	-177.8	-44.9	80.6	0	0	0	109.3	I231 L247 L318 S320 K328 L332 A342 C343	I231-W330 HydrophobicContact CD1-CZ2 4.23Å; L247-W330 HydrophobicContact CB-CE3 4.31Å; L247-W330 HydrophobicContact CB-CH2 4.45Å; L247-W330 HydrophobicContact CB-CZ3 4.15Å; L247-W330 HydrophobicContact CD1-CB 4.42Å; L247-W330 HydrophobicContact CD1-CD2 4.13Å; L247-W330 HydrophobicContact CD1-CE3 4.19Å; L247-W330 HydrophobicContact CD1-CG 4.24Å; L318-W330 HydrophobicContact CB-CB 4.13Å; L318-W330 HydrophobicContact CD2-CB 4.25Å; L318-W330 HydrophobicContact CD2-CG 4.17Å; L318-W330 HydrophobicContact CG-CB 4.49Å; L318-W330 PolarHBondContact N-O 3.3Å; L318-W330 PolarHBondContact O-N 3.14Å; S320-W330 PolarHBondContact OG-NE1 2.78Å; K328-W330 HydrophobicContact CB-CZ2 3.81Å; K328-W330 HydrophobicContact CD-CH2 4.15Å; K328-W330 HydrophobicContact CD-CZ2 3.65Å; K328-W330 HydrophobicContact CG-CZ2 4.36Å; W330-L332 HydrophobicContact CB-CD2 4.38Å; W330-A342 WeakPolarHBondContact CA-O 3.3Å; W330-C343 HydrophobicContact CE3-CB 3.94Å; W330-C343 HydrophobicContact CH2-CB 4.4Å; W330-C343 HydrophobicContact CZ3-CB 3.88Å
331	R	90.4	Very high	80.2	Confident	108 Å²	108	51.5 Å²	51.5	41%	0.408	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.1	171.2	-165.9	165.6	-173.2	115.9	6.7	108.2	E315 I341 A342 T344	E315-R331 HydrophobicContact CG-CG 4.21Å; E315-R331 WeakPolarHBondContact OE1-CD 3.42Å; E315-R331 VanDerWaalsContact OE1-CG 3.23Å; E315-R331 WeakPolarHBondContact OE1-CG 3.44Å; E315-R331 IonicContact OE1-CZ 3.85Å; E315-R331 IonicContact OE1-NE 2.84Å; E315-R331 PolarHBondContact OE1-NE 3.47Å; E315-R331 IonicContact OE1-NH2 2.8Å; E315-R331 IonicContact OE2-CZ 3.63Å; E315-R331 IonicContact OE2-NE 2.85Å; E315-R331 PolarHBondContact OE2-NE 2.89Å; E315-R331 IonicContact OE2-NH2 3.41Å; E315-R331 PolarHBondContact OE2-NH2 2.75Å; R331-I341 WeakPolarHBondContact O-CA 3.47Å; R331-A342 PolarHBondContact N-O 3.31Å; R331-T344 HydrophobicContact CB-CG2 3.73Å
332	L	86.6	Confident	79.3	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	91.2	179.4	-56.2	-176.9	0	0	0	108.7	V223 V233 L247 L259 E315 V316 L318 W330 I341	V223-L332 HydrophobicContact CG2-CD1 4.47Å; V233-L332 HydrophobicContact CG2-CD1 4.16Å; V233-L332 HydrophobicContact CG2-CD2 4.45Å; L247-L332 HydrophobicContact CD1-CD2 3.97Å; L259-L332 HydrophobicContact CD2-CD1 4.21Å; E315-L332 WeakPolarHBondContact CA-O 3.49Å; V316-L332 HydrophobicContact CG2-CB 3.75Å; V316-L332 HydrophobicContact CG2-CD1 3.93Å; V316-L332 HydrophobicContact CG2-CG 4.21Å; V316-L332 PolarHBondContact N-O 2.64Å; V316-L332 PolarHBondContact O-N 2.88Å; L318-L332 HydrophobicContact CB-CD1 3.97Å; L318-L332 HydrophobicContact CB-CG 4.2Å; L318-L332 HydrophobicContact CD2-CD1 4.25Å; W330-L332 HydrophobicContact CB-CD2 4.38Å; L332-I341 HydrophobicContact CD2-CB 4.38Å; L332-I341 HydrophobicContact CD2-CD1 4.39Å; L332-I341 HydrophobicContact CD2-CG1 3.99Å; L332-I341 HydrophobicContact CD2-CG2 3.59Å
333	S	75.9	Confident	78.8	Confident	24 Å²	24	55.3 Å²	55.3	17%	0.168	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.4	175.3	-162.7	0	0	0	0	110.2	E315 S339 R340	E315-S333 VanDerWaalsContact OE1-CB 3.28Å; E315-S333 WeakPolarHBondContact OE1-CB 3.25Å; E315-S333 PolarHBondContact OE1-OG 3.39Å; S333-S339 WeakPolarHBondContact O-CA 3.3Å; S333-R340 PolarHBondContact N-O 3.46Å; S333-R340 PolarHBondContact O-N 3.35Å; S333-R340 VanDerWaalsContact O-N 3.14Å
334	A	64.2	Low	78.4	Confident	29 Å²	29	58.2 Å²	58.2	24%	0.24	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	101.2	168.3	0	0	0	0	0	107.1	P313	P313-A334 HydrophobicContact CG-CB 3.69Å
335	T	54.6	Low	78.2	Confident	67 Å²	67	58.9 Å²	58.9	41%	0.411	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.3	166.5	64.2	0	0	0	0	108.4	E312 N337 W338	E312-T335 WeakPolarHBondContact OE2-CA 3.32Å; T335-N337 PolarHBondContact O-N 2.93Å; T335-N337 VanDerWaalsContact O-N 3.11Å; T335-W338 PolarHBondContact N-O 3.09Å; T335-W338 CarbonylContact O-C 3.58Å; T335-W338 PolarHBondContact O-N 2.86Å; T335-W338 VanDerWaalsContact O-N 3.11Å; T335-W338 PolarHBondContact OG1-N 2.86Å; T335-W338 PolarHBondContact OG1-O 3.12Å
336	S	52.2	Low	78.1	Confident	86 Å²	86	59.1 Å²	59.1	60%	0.601	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-35.8	172.5	22.6	0	0	0	0	113	E312	E312-S336 VanDerWaalsContact CD-N 3.27Å; E312-S336 WeakPolarHBondContact OE1-CA 3.37Å; E312-S336 WeakPolarHBondContact OE1-CB 3.45Å; E312-S336 PolarHBondContact OE1-N 2.98Å; E312-S336 PolarHBondContact OE1-OG 2.99Å; E312-S336 PolarHBondContact OE2-N 2.83Å
337	N	46	Very low	78.1	Confident	149 Å²	149	58.7 Å²	58.7	80%	0.797	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-21.7	-175	-61.9	-14.2	0	0	0	112.8	T335	T335-N337 PolarHBondContact O-N 2.93Å; T335-N337 VanDerWaalsContact O-N 3.11Å
338	W	44.2	Very low	78	Confident	182 Å²	182	65.5 Å²	65.5	69%	0.689	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.6	126.5	-176.4	-137.3	-38.8	0	0	0	112	T335	T335-W338 PolarHBondContact N-O 3.09Å; T335-W338 CarbonylContact O-C 3.58Å; T335-W338 PolarHBondContact O-N 2.86Å; T335-W338 VanDerWaalsContact O-N 3.11Å; T335-W338 PolarHBondContact OG1-N 2.86Å; T335-W338 PolarHBondContact OG1-O 3.12Å
339	S	56.9	Low	77.9	Confident	72 Å²	72	65.8 Å²	65.8	50%	0.503	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.6	157	64.7	0	0	0	0	108.4	S333	S333-S339 WeakPolarHBondContact O-CA 3.3Å
340	R	62.6	Low	78	Confident	163 Å²	163	65.9 Å²	65.9	62%	0.615	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.9	172.7	-168.2	175.1	175	86.4	-0.5	107.5	S333	S333-R340 PolarHBondContact N-O 3.46Å; S333-R340 PolarHBondContact O-N 3.35Å; S333-R340 VanDerWaalsContact O-N 3.14Å
341	I	72.3	Confident	78.2	Confident	52 Å²	52	70.7 Å²	70.7	27%	0.267	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.2	163.8	-53.3	163.7	0	0	0	106.9	Q245 L247 R331 L332	Q245-I341 HydrophobicContact CB-CD1 3.89Å; Q245-I341 VanDerWaalsContact CD-CD1 3.47Å; Q245-I341 HydrophobicContact CG-CD1 4.12Å; L247-I341 HydrophobicContact CD1-CG2 4.09Å; L247-I341 HydrophobicContact CD2-CB 4.14Å; L247-I341 HydrophobicContact CD2-CD1 3.42Å; L247-I341 VanDerWaalsContact CD2-CD1 3.42Å; L247-I341 HydrophobicContact CD2-CG1 4.26Å; L247-I341 HydrophobicContact CD2-CG2 3.42Å; L247-I341 VanDerWaalsContact CD2-CG2 3.42Å; L247-I341 HydrophobicContact CG-CG2 4.34Å; R331-I341 WeakPolarHBondContact O-CA 3.47Å; L332-I341 HydrophobicContact CD2-CB 4.38Å; L332-I341 HydrophobicContact CD2-CD1 4.39Å; L332-I341 HydrophobicContact CD2-CG1 3.99Å; L332-I341 HydrophobicContact CD2-CG2 3.59Å
342	A	80	Confident	78.6	Confident	26 Å²	26	68.8 Å²	68.8	22%	0.215	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.5	177	0	0	0	0	0	109.2	W330 R331 T344	W330-A342 WeakPolarHBondContact CA-O 3.3Å; R331-A342 PolarHBondContact N-O 3.31Å; A342-T344 PolarHBondContact O-N 2.96Å
343	C	88.6	Confident	79.2	Confident	55 Å²	55	69.4 Å²	69.4	37%	0.372	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	116.5	158.9	-176.7	0	0	0	0	107	L329 W330	L329-C343 CarbonylContact O-C 3.56Å; L329-C343 WeakPolarHBondContact O-CA 3.41Å; W330-C343 HydrophobicContact CE3-CB 3.94Å; W330-C343 HydrophobicContact CH2-CB 4.4Å; W330-C343 HydrophobicContact CZ3-CB 3.88Å
344	T	90.4	Very high	80.3	Confident	79 Å²	79	68.3 Å²	68.3	49%	0.485	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-28.6	-177.3	54.5	0	0	0	0	112.3	L329 R331 A342	L329-T344 WeakPolarHBondContact CB-OG1 3.18Å; L329-T344 PolarHBondContact O-N 2.94Å; L329-T344 PolarHBondContact O-OG1 3.16Å; R331-T344 HydrophobicContact CB-CG2 3.73Å; A342-T344 PolarHBondContact O-N 2.96Å
345	C	93.7	Very high	81.9	Confident	38 Å²	38	69.2 Å²	69.2	26%	0.257	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	144.1	-179.4	-171.2	0	0	0	0	109.8	K328 L329	K328-C345 WeakPolarHBondContact CA-O 3.35Å; L329-C345 HydrophobicContact CB-CB 4.12Å; L329-C345 HydrophobicContact CD2-CB 4.25Å; L329-C345 PolarHBondContact N-O 2.94Å
346	T	97	Very high	84	Confident	52 Å²	52	66.6 Å²	66.6	32%	0.319	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.8	167.3	-60.8	0	0	0	0	108	T326 L327 K328 Q348	T326-T346 HydrophobicContact CG2-CG2 4.11Å; L327-T346 CarbonylContact O-C 3.51Å; L327-T346 WeakPolarHBondContact O-CA 3.37Å; K328-T346 HydrophobicContact CG-CG2 4.18Å; K328-T346 PolarHBondContact NZ-OG1 2.8Å; T346-Q348 HydrophobicContact CG2-CG 3.94Å
347	L	97.8	Very high	86.2	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	114.2	176.1	-46.7	177.7	0	0	0	108.1	L327 L329 V364 W376 G381	L327-L347 HydrophobicContact CB-CB 4.11Å; L327-L347 HydrophobicContact CB-CD1 4.15Å; L327-L347 HydrophobicContact CB-CG 4.35Å; L327-L347 HydrophobicContact CD1-CB 4.48Å; L327-L347 PolarHBondContact N-O 3.31Å; L327-L347 PolarHBondContact O-N 2.73Å; L329-L347 HydrophobicContact CD1-CD1 3.91Å; L329-L347 HydrophobicContact CD1-CG 4.1Å; L347-V364 HydrophobicContact CD1-CB 4.46Å; L347-V364 HydrophobicContact CD1-CG1 4.45Å; L347-W376 HydrophobicContact CB-CD2 4.18Å; L347-W376 HydrophobicContact CB-CE3 4Å; L347-W376 HydrophobicContact CB-CH2 4.45Å; L347-W376 HydrophobicContact CB-CZ3 4.14Å; L347-W376 HydrophobicContact CD1-CB 3.99Å; L347-W376 HydrophobicContact CD1-CD2 4.08Å; L347-W376 HydrophobicContact CD1-CE3 4.49Å; L347-W376 HydrophobicContact CD1-CG 3.84Å; L347-W376 HydrophobicContact CD2-CE3 4.42Å; L347-G381 VanDerWaalsContact CD2-O 3.26Å; L347-G381 WeakPolarHBondContact CD2-O 3.2Å
348	Q	97	Very high	88.6	Confident	144 Å²	144	58 Å²	58	67%	0.673	31%	0.308	S	S	*	.			trans	-112.5	144.8	179.8	-66.3	-174.5	-25.9	0	0	110.6	T326 T346 W376	T326-Q348 HydrophobicContact CG2-CG 4.03Å; T346-Q348 HydrophobicContact CG2-CG 3.94Å; Q348-W376 VanDerWaalsContact O-CH2 3.27Å; Q348-W376 WeakPolarHBondContact O-CH2 3.19Å; Q348-W376 WeakPolarHBondContact O-CZ3 3.49Å
349	G	96	Very high	91	Very high	33 Å²	33	49.3 Å²	49.3	34%	0.34	28%	0.275	S	S	.	.			trans	153.9	-28.5	169	0	0	0	0	0	113.7	R374	G349-R374 VanDerWaalsContact C-NH2 3.34Å; G349-R374 VanDerWaalsContact CA-NH1 3.33Å; G349-R374 PolarHBondContact O-NH1 3.38Å; G349-R374 PolarHBondContact O-NH2 3.31Å
350	H	98.3	Very high	92.7	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.032	26%	0.259	C	S	.	.			trans	-58.5	146.4	168.5	-81.5	-63.4	0	0	0	109.7	T325 V354 S366 S368 D370 R374	T325-H350 WeakPolarHBondContact CB-O 3.27Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; H350-S366 PolarHBondContact CD2-OG 2.66Å; H350-S366 PolarHBondContact NE2-O 3.37Å; H350-S366 PolarHBondContact NE2-OG 3.35Å; H350-S368 VanDerWaalsContact CE1-CB 3.43Å; H350-S368 WeakPolarHBondContact CE1-CB 3.1Å; H350-S368 WeakPolarHBondContact ND1-CB 3.4Å; H350-D370 WeakPolarHBondContact CA-OD2 3.24Å; H350-D370 IonicContact CE1-OD1 2.66Å; H350-D370 IonicContact CE1-OD2 3.17Å; H350-D370 IonicContact CG-OD2 3.45Å; H350-D370 IonicContact ND1-OD1 2.72Å; H350-D370 PolarHBondContact ND1-OD1 2.77Å; H350-D370 IonicContact ND1-OD2 3.84Å; H350-D370 PolarHBondContact ND1-OD2 3.17Å; H350-R374 VanDerWaalsContact CE1-CG 3.49Å; H350-R374 WeakPolarHBondContact CE1-CG 3.35Å; H350-R374 PolarHBondContact ND1-NE 3.02Å
351	T	98.2	Very high	94	Very high	112 Å²	112	44.6 Å²	44.6	69%	0.687	25%	0.253	S	S	*	.	S	Bend	trans	-107.3	4	-177.1	58	0	0	0	0	113.1	D370	T351-D370 PolarHBondContact N-OD2 2.9Å; T351-D370 VanDerWaalsContact OG1-CB 3.32Å; T351-D370 WeakPolarHBondContact OG1-CB 3.32Å
352	D	98.5	Very high	94.9	Very high	69 Å²	69	48.4 Å²	48.4	37%	0.369	27%	0.27	S	S	.	.	S	Bend	trans	-152.5	174.3	176.8	-155.9	-27.4	0	0	0	108.8	V354 S368 D370	D352-V354 PolarHBondContact O-N 2.91Å; D352-S368 VanDerWaalsContact C-OG 3.32Å; D352-S368 PolarHBondContact O-OG 3.03Å; D352-D370 HydrophobicContact CB-CB 4.01Å
353	T	98.7	Very high	95.5	Very high	16 Å²	16	48.6 Å²	48.6	10%	0.098	27%	0.265	C	S	.	.			trans	-39.2	122.8	-179.7	-61.8	0	0	0	0	113.3	R255 A323 R355 S368 Y369	R255-T353 HydrophobicContact CG-CG2 3.83Å; A323-T353 HydrophobicContact CB-CG2 4.25Å; T353-R355 PolarHBondContact O-N 2.72Å; T353-S368 CarbonylContact O-C 3.38Å; T353-S368 WeakPolarHBondContact O-CA 3.41Å; T353-S368 WeakPolarHBondContact O-CB 3.19Å; T353-S368 PolarHBondContact O-OG 2.73Å; T353-Y369 HydrophobicContact CG2-CD2 4.04Å; T353-Y369 HydrophobicContact CG2-CE2 4.13Å; T353-Y369 PolarHBondContact O-N 3Å
354	V	98.8	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	98	169.6	-175	0	0	0	0	109.1	R255 S322 L327 H350 D352	R255-V354 WeakPolarHBondContact CB-O 3.34Å; S322-V354 PolarHBondContact O-N 2.85Å; L327-V354 HydrophobicContact CD1-CB 4.49Å; L327-V354 HydrophobicContact CD1-CG1 3.94Å; L327-V354 HydrophobicContact CD1-CG2 3.89Å; L327-V354 HydrophobicContact CD2-CG1 3.97Å; L327-V354 HydrophobicContact CG-CB 4.45Å; L327-V354 HydrophobicContact CG-CG1 3.84Å; L327-V354 HydrophobicContact CG-CG2 4.27Å; H350-V354 HydrophobicContact CB-CG2 4.14Å; D352-V354 PolarHBondContact O-N 2.91Å
355	R	98.5	Very high	96.3	Very high	48 Å²	48	42.2 Å²	42.2	18%	0.181	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-31.1	-169.6	177.2	57.8	-175.2	89.6	0.3	113.7	R255 T353 G367 Y369 I394 T395	R255-R355 VanDerWaalsContact NH2-NE 3.16Å; T353-R355 PolarHBondContact O-N 2.72Å; R355-G367 PolarHBondContact N-O 2.8Å; R355-Y369 HydrophobicContact CB-CD1 4.23Å; R355-Y369 HydrophobicContact CB-CE1 3.92Å; R355-Y369 HydrophobicContact CG-CE1 3.79Å; R355-I394 WeakPolarHBondContact CB-O 3.12Å; R355-T395 WeakPolarHBondContact CG-O 3.37Å
356	C	98.2	Very high	96.5	Very high	12 Å²	12	40.4 Å²	40.4	8%	0.081	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150.9	-175.5	55.1	0	0	0	0	111.6	C256 S366 G367 C396 L397	C256-C356 VanDerWaalsContact SG-C 3.56Å; C356-S366 WeakPolarHBondContact O-CA 3.49Å; C356-G367 PolarHBondContact N-O 3.08Å; C356-G367 PolarHBondContact O-N 3.12Å; C356-C396 VanDerWaalsContact SG-CA 3.56Å; C356-L397 VanDerWaalsContact SG-CG 3.59Å
357	V	98.1	Very high	96.6	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.4	179.8	70.9	0	0	0	0	110.1	C256 Q258 I319 L327 V364 I365	C256-V357 HydrophobicContact CB-CB 4.49Å; C256-V357 HydrophobicContact CB-CG1 3.97Å; Q258-V357 HydrophobicContact CB-CG1 4.12Å; I319-V357 HydrophobicContact CG2-CG2 3.88Å; L327-V357 HydrophobicContact CD2-CB 4.24Å; L327-V357 HydrophobicContact CD2-CG2 3.7Å; V357-V364 HydrophobicContact CG2-CG1 3.57Å; V357-I365 CarbonylContact C-O 3.57Å; V357-I365 WeakPolarHBondContact CA-O 3.3Å
358	Q	97.1	Very high	96.6	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.22	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	133.9	169.4	-72.6	-63.6	-65.3	0	0	109.1	Q258 I365 L397 Y399	Q258-Q358 VanDerWaalsContact OE1-C 3.23Å; Q358-I365 PolarHBondContact N-O 2.74Å; Q358-I365 WeakPolarHBondContact O-CA 3.38Å; Q358-I365 PolarHBondContact O-N 2.84Å; Q358-L397 HydrophobicContact CG-CB 3.94Å; Q358-L397 WeakPolarHBondContact CG-O 3.24Å; Q358-Y399 HydrophobicContact CB-CD1 3.58Å; Q358-Y399 HydrophobicContact CB-CE1 3.73Å; Q358-Y399 HydrophobicContact CG-CD1 4.19Å
359	A	94.9	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	164.3	-173.6	0	0	0	0	0	113.1	Q258 L260 I319 K363 V364 Y399	Q258-A359 PolarHBondContact NE2-O 3.06Å; L260-A359 HydrophobicContact CD1-CB 3.95Å; I319-A359 HydrophobicContact CD1-CB 3.21Å; A359-K363 VanDerWaalsContact CA-O 3.27Å; A359-K363 WeakPolarHBondContact CA-O 3.46Å; A359-K363 WeakPolarHBondContact CB-O 3.41Å; A359-V364 HydrophobicContact CB-CB 4.47Å; A359-V364 HydrophobicContact CB-CG1 4.47Å; A359-V364 HydrophobicContact CB-CG2 4.15Å; A359-Y399 PolarHBondContact O-OH 3.38Å
360	D	91.9	Very high	96.9	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.171	17%	0.167	C	C	.	.			trans	-143.8	-167.5	168.6	54.7	43.2	0	0	0	109.4	L260 E362 K363 I378 Y399	L260-D360 VanDerWaalsContact CD1-O 3.24Å; L260-D360 WeakPolarHBondContact CD1-O 3.24Å; D360-E362 PolarHBondContact O-N 3.1Å; D360-E362 WeakPolarHBondContact OD1-CA 3.02Å; D360-E362 PolarHBondContact OD1-N 3.3Å; D360-K363 PolarHBondContact N-O 2.9Å; D360-K363 WeakPolarHBondContact OD1-CG 3.31Å; D360-K363 PolarHBondContact OD1-N 3.21Å; D360-K363 VanDerWaalsContact OD2-CE 3.31Å; D360-K363 WeakPolarHBondContact OD2-CE 3.19Å; D360-K363 WeakPolarHBondContact OD2-CG 3.34Å; D360-K363 IonicContact OD2-NZ 3Å; D360-K363 PolarHBondContact OD2-NZ 2.78Å; D360-I378 VanDerWaalsContact O-CD1 3.22Å; D360-I378 WeakPolarHBondContact O-CD1 3.28Å; D360-Y399 WeakPolarHBondContact CB-OH 3.4Å; D360-Y399 PolarHBondContact OD2-OH 2.83Å; D360-Y399 VanDerWaalsContact OD2-OH 3.12Å
361	H	89.4	Confident	96.9	Very high	104 Å²	104	35.1 Å²	35.1	48%	0.481	18%	0.178	S	C	.	.	S	Bend	trans	-74	-1.5	-178.8	-55.5	-51.7	0	0	0	114.8	S261 I378	S261-H361 PolarHBondContact O-CE1 2.91Å; S261-H361 PolarHBondContact O-ND1 3.31Å; H361-I378 WeakPolarHBondContact O-CG2 3.47Å
362	E	91.1	Very high	96.9	Very high	131 Å²	131	30.1 Å²	30.1	61%	0.612	15%	0.147	S	C	*	.	S	Bend	trans	-117.6	-37.6	-179.4	-60.4	-172.8	165.3	0	0	112.4	D360 I378	D360-E362 PolarHBondContact O-N 3.1Å; D360-E362 WeakPolarHBondContact OD1-CA 3.02Å; D360-E362 PolarHBondContact OD1-N 3.3Å; E362-I378 WeakPolarHBondContact O-CG2 3.45Å; E362-I378 PolarHBondContact O-N 2.72Å
363	K	93.8	Very high	96.9	Very high	30 Å²	30	26.9 Å²	26.9	13%	0.13	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.3	-168	53.3	175.2	171.1	60.6	0	113.8	A359 D360 I365 L375 W376 I418	A359-K363 VanDerWaalsContact CA-O 3.27Å; A359-K363 WeakPolarHBondContact CA-O 3.46Å; A359-K363 WeakPolarHBondContact CB-O 3.41Å; D360-K363 PolarHBondContact N-O 2.9Å; D360-K363 WeakPolarHBondContact OD1-CG 3.31Å; D360-K363 PolarHBondContact OD1-N 3.21Å; D360-K363 VanDerWaalsContact OD2-CE 3.31Å; D360-K363 WeakPolarHBondContact OD2-CE 3.19Å; D360-K363 WeakPolarHBondContact OD2-CG 3.34Å; D360-K363 IonicContact OD2-NZ 3Å; D360-K363 PolarHBondContact OD2-NZ 2.78Å; K363-I365 HydrophobicContact CD-CD1 4.48Å; K363-L375 HydrophobicContact CB-CD1 3.68Å; K363-L375 HydrophobicContact CD-CD1 3.69Å; K363-L375 HydrophobicContact CG-CD1 4.23Å; K363-W376 VanDerWaalsContact CA-O 3.28Å; K363-W376 WeakPolarHBondContact CA-O 3.2Å; K363-I418 HydrophobicContact CD-CG2 4.45Å
364	V	97.1	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.2	168.4	-176.7	0	0	0	0	108	I319 L327 L347 V357 A359 L375 W376 I378	I319-V364 HydrophobicContact CD1-CG2 3.76Å; I319-V364 HydrophobicContact CG1-CG2 4.48Å; I319-V364 HydrophobicContact CG2-CG1 4.1Å; L327-V364 HydrophobicContact CD2-CG1 4.16Å; L347-V364 HydrophobicContact CD1-CB 4.46Å; L347-V364 HydrophobicContact CD1-CG1 4.45Å; V357-V364 HydrophobicContact CG2-CG1 3.57Å; A359-V364 HydrophobicContact CB-CB 4.47Å; A359-V364 HydrophobicContact CB-CG1 4.47Å; A359-V364 HydrophobicContact CB-CG2 4.15Å; V364-L375 CarbonylContact O-C 3.59Å; V364-L375 WeakPolarHBondContact O-CA 3.49Å; V364-W376 HydrophobicContact CB-CB 4.23Å; V364-W376 PolarHBondContact N-O 2.84Å; V364-W376 PolarHBondContact O-N 3.35Å; V364-I378 HydrophobicContact CG2-CB 4.33Å; V364-I378 HydrophobicContact CG2-CD1 4.14Å; V364-I378 HydrophobicContact CG2-CG1 4.03Å
365	I	98.2	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	175.7	-52.6	177	0	0	0	107.5	V357 Q358 K363 I373 R374 L375 L397 Y399 L404 I418	V357-I365 CarbonylContact C-O 3.57Å; V357-I365 WeakPolarHBondContact CA-O 3.3Å; Q358-I365 PolarHBondContact N-O 2.74Å; Q358-I365 WeakPolarHBondContact O-CA 3.38Å; Q358-I365 PolarHBondContact O-N 2.84Å; K363-I365 HydrophobicContact CD-CD1 4.48Å; I365-I373 HydrophobicContact CG2-CG2 3.47Å; I365-I373 VanDerWaalsContact CG2-CG2 3.47Å; I365-R374 CarbonylContact C-O 3.59Å; I365-R374 VanDerWaalsContact CA-O 3.27Å; I365-R374 WeakPolarHBondContact CA-O 3.35Å; I365-L375 HydrophobicContact CD1-CD1 4.34Å; I365-L375 HydrophobicContact CG1-CD1 3.71Å; I365-L397 HydrophobicContact CG2-CD1 4.07Å; I365-Y399 HydrophobicContact CD1-CD1 4.26Å; I365-Y399 HydrophobicContact CD1-CG 4.28Å; I365-L404 HydrophobicContact CD1-CD1 4.23Å; I365-L404 HydrophobicContact CG2-CD1 3.95Å; I365-L404 HydrophobicContact CG2-CD2 3.97Å; I365-I418 HydrophobicContact CD1-CD1 4.47Å
366	S	98.5	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.1	-175.7	59.7	0	0	0	0	111.8	H350 C356 I373 R374 W376	H350-S366 PolarHBondContact CD2-OG 2.66Å; H350-S366 PolarHBondContact NE2-O 3.37Å; H350-S366 PolarHBondContact NE2-OG 3.35Å; C356-S366 WeakPolarHBondContact O-CA 3.49Å; S366-I373 CarbonylContact O-C 3.53Å; S366-I373 VanDerWaalsContact O-CA 3.23Å; S366-I373 WeakPolarHBondContact O-CA 3.35Å; S366-I373 VanDerWaalsContact O-CG2 3.32Å; S366-I373 WeakPolarHBondContact O-CG2 3.18Å; S366-R374 PolarHBondContact N-O 3.33Å; S366-R374 PolarHBondContact O-N 3.44Å; S366-W376 PolarHBondContact OG-NE1 3.43Å
367	G	98.7	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.1	175.6	0	0	0	0	0	110.4	R355 C356 L397	R355-G367 PolarHBondContact N-O 2.8Å; C356-G367 PolarHBondContact N-O 3.08Å; C356-G367 PolarHBondContact O-N 3.12Å; G367-L397 VanDerWaalsContact N-CD1 3.28Å
368	S	98.8	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.7	-175	168.9	0	0	0	0	112.8	H350 D352 T353 D370 C371 T372 I394	H350-S368 VanDerWaalsContact CE1-CB 3.43Å; H350-S368 WeakPolarHBondContact CE1-CB 3.1Å; H350-S368 WeakPolarHBondContact ND1-CB 3.4Å; D352-S368 VanDerWaalsContact C-OG 3.32Å; D352-S368 PolarHBondContact O-OG 3.03Å; T353-S368 CarbonylContact O-C 3.38Å; T353-S368 WeakPolarHBondContact O-CA 3.41Å; T353-S368 WeakPolarHBondContact O-CB 3.19Å; T353-S368 PolarHBondContact O-OG 2.73Å; S368-D370 VanDerWaalsContact CB-OD1 3.3Å; S368-D370 WeakPolarHBondContact CB-OD1 3.48Å; S368-D370 PolarHBondContact O-N 3.44Å; S368-D370 VanDerWaalsContact OG-CG 3.31Å; S368-D370 PolarHBondContact OG-N 2.91Å; S368-D370 PolarHBondContact OG-OD1 3.1Å; S368-C371 PolarHBondContact O-N 3.18Å; S368-T372 PolarHBondContact N-O 2.83Å; S368-T372 VanDerWaalsContact N-O 3.16Å; S368-I394 WeakPolarHBondContact O-CG1 3.34Å; S368-I394 PolarHBondContact O-N 3.02Å
369	Y	98.7	Very high	96.1	Very high	63 Å²	63	31.8 Å²	31.8	25%	0.247	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.1	167.4	-68.4	-18.6	0	0	0	113.9	R255 T353 R355 C371 L409	R255-Y369 PolarHBondContact NH2-OH 2.81Å; R255-Y369 VanDerWaalsContact NH2-OH 3.14Å; T353-Y369 HydrophobicContact CG2-CD2 4.04Å; T353-Y369 HydrophobicContact CG2-CE2 4.13Å; T353-Y369 PolarHBondContact O-N 3Å; R355-Y369 HydrophobicContact CB-CD1 4.23Å; R355-Y369 HydrophobicContact CB-CE1 3.92Å; R355-Y369 HydrophobicContact CG-CE1 3.79Å; Y369-C371 PolarHBondContact O-N 2.83Å; Y369-L409 HydrophobicContact CE1-CD1 4.28Å
370	D	98.5	Very high	95.9	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	9.7	168.2	75.8	5.2	0	0	0	114.1	H350 T351 D352 S368 T372 R374	H350-D370 WeakPolarHBondContact CA-OD2 3.24Å; H350-D370 IonicContact CE1-OD1 2.66Å; H350-D370 IonicContact CE1-OD2 3.17Å; H350-D370 IonicContact CG-OD2 3.45Å; H350-D370 IonicContact ND1-OD1 2.72Å; H350-D370 PolarHBondContact ND1-OD1 2.77Å; H350-D370 IonicContact ND1-OD2 3.84Å; H350-D370 PolarHBondContact ND1-OD2 3.17Å; T351-D370 PolarHBondContact N-OD2 2.9Å; T351-D370 VanDerWaalsContact OG1-CB 3.32Å; T351-D370 WeakPolarHBondContact OG1-CB 3.32Å; D352-D370 HydrophobicContact CB-CB 4.01Å; S368-D370 VanDerWaalsContact CB-OD1 3.3Å; S368-D370 WeakPolarHBondContact CB-OD1 3.48Å; S368-D370 PolarHBondContact O-N 3.44Å; S368-D370 VanDerWaalsContact OG-CG 3.31Å; S368-D370 PolarHBondContact OG-N 2.91Å; S368-D370 PolarHBondContact OG-OD1 3.1Å; D370-T372 VanDerWaalsContact CG-OG1 3.25Å; D370-T372 PolarHBondContact O-N 2.8Å; D370-T372 WeakPolarHBondContact OD1-CA 3.49Å; D370-T372 WeakPolarHBondContact OD1-CB 3.46Å; D370-T372 PolarHBondContact OD1-N 2.98Å; D370-T372 PolarHBondContact OD1-OG1 2.82Å; D370-T372 PolarHBondContact OD2-OG1 2.79Å; D370-R374 IonicContact OD2-NH2 2.77Å
371	C	98.5	Very high	96	Very high	40 Å²	40	34 Å²	34	27%	0.27	18%	0.176	S	C	.	.	S	Bend	trans	65.9	9.9	-179.7	-50.4	0	0	0	0	114.3	S368 Y369 A392	S368-C371 PolarHBondContact O-N 3.18Å; Y369-C371 PolarHBondContact O-N 2.83Å; C371-A392 WeakPolarHBondContact SG-CA 3.43Å
372	T	98.2	Very high	96.2	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	18%	0.183	C	C	.	.			trans	-113.5	155.2	179.4	75.7	0	0	0	0	112.5	S368 D370 I386 R388	S368-T372 PolarHBondContact N-O 2.83Å; S368-T372 VanDerWaalsContact N-O 3.16Å; D370-T372 VanDerWaalsContact CG-OG1 3.25Å; D370-T372 PolarHBondContact O-N 2.8Å; D370-T372 WeakPolarHBondContact OD1-CA 3.49Å; D370-T372 WeakPolarHBondContact OD1-CB 3.46Å; D370-T372 PolarHBondContact OD1-N 2.98Å; D370-T372 PolarHBondContact OD1-OG1 2.82Å; D370-T372 PolarHBondContact OD2-OG1 2.79Å; T372-I386 HydrophobicContact CG2-CG2 4.04Å; T372-R388 HydrophobicContact CG2-CG 4.31Å
373	I	98.7	Very high	96.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.4	164.2	-49.9	158.7	0	0	0	107.2	I365 S366 I386 F387 I394 L397 L404 S406 W416	I365-I373 HydrophobicContact CG2-CG2 3.47Å; I365-I373 VanDerWaalsContact CG2-CG2 3.47Å; S366-I373 CarbonylContact O-C 3.53Å; S366-I373 VanDerWaalsContact O-CA 3.23Å; S366-I373 WeakPolarHBondContact O-CA 3.35Å; S366-I373 VanDerWaalsContact O-CG2 3.32Å; S366-I373 WeakPolarHBondContact O-CG2 3.18Å; I373-I386 CarbonylContact O-C 3.55Å; I373-I386 WeakPolarHBondContact O-CA 3.47Å; I373-F387 HydrophobicContact CB-CB 4.07Å; I373-F387 HydrophobicContact CB-CD2 3.91Å; I373-F387 HydrophobicContact CB-CG 4.35Å; I373-F387 HydrophobicContact CD1-CB 4.41Å; I373-F387 HydrophobicContact CG2-CD2 4.04Å; I373-F387 PolarHBondContact N-O 2.75Å; I373-F387 WeakPolarHBondContact O-CD2 3.45Å; I373-F387 PolarHBondContact O-N 3.42Å; I373-I394 HydrophobicContact CD1-CD1 4.39Å; I373-I394 HydrophobicContact CG1-CD1 4.05Å; I373-I394 HydrophobicContact CG1-CG1 3.88Å; I373-I394 HydrophobicContact CG1-CG2 4.29Å; I373-L397 HydrophobicContact CD1-CD2 3.74Å; I373-L397 HydrophobicContact CG1-CD2 4.02Å; I373-L397 HydrophobicContact CG2-CD1 3.88Å; I373-L397 HydrophobicContact CG2-CD2 4.17Å; I373-L404 HydrophobicContact CD1-CD2 4.1Å; I373-L404 HydrophobicContact CG2-CD2 3.93Å; I373-S406 WeakPolarHBondContact CD1-OG 3.42Å; I373-W416 HydrophobicContact CD1-CZ2 4.47Å
374	R	98.4	Very high	96.6	Very high	26 Å²	26	37.6 Å²	37.6	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.7	179.2	-66.3	-178.2	-175.4	-144.7	8.9	111.2	G349 H350 I365 S366 D370 W376 M383 R385 I386	G349-R374 VanDerWaalsContact C-NH2 3.34Å; G349-R374 VanDerWaalsContact CA-NH1 3.33Å; G349-R374 PolarHBondContact O-NH1 3.38Å; G349-R374 PolarHBondContact O-NH2 3.31Å; H350-R374 VanDerWaalsContact CE1-CG 3.49Å; H350-R374 WeakPolarHBondContact CE1-CG 3.35Å; H350-R374 PolarHBondContact ND1-NE 3.02Å; I365-R374 CarbonylContact C-O 3.59Å; I365-R374 VanDerWaalsContact CA-O 3.27Å; I365-R374 WeakPolarHBondContact CA-O 3.35Å; S366-R374 PolarHBondContact N-O 3.33Å; S366-R374 PolarHBondContact O-N 3.44Å; D370-R374 IonicContact OD2-NH2 2.77Å; R374-W376 HydrophobicContact CB-CZ2 3.77Å; R374-W376 VanDerWaalsContact CD-CZ2 3.43Å; R374-W376 HydrophobicContact CG-CZ2 4.25Å; R374-M383 HydrophobicContact CG-SD 4.34Å; R374-R385 WeakPolarHBondContact CA-O 3.1Å; R374-I386 HydrophobicContact CG-CG1 4.37Å
375	L	98.1	Very high	96.6	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	171.2	176.2	67.6	0	0	0	108.4	K363 V364 I365 M383 K384 R385 F387 I418	K363-L375 HydrophobicContact CB-CD1 3.68Å; K363-L375 HydrophobicContact CD-CD1 3.69Å; K363-L375 HydrophobicContact CG-CD1 4.23Å; V364-L375 CarbonylContact O-C 3.59Å; V364-L375 WeakPolarHBondContact O-CA 3.49Å; I365-L375 HydrophobicContact CD1-CD1 4.34Å; I365-L375 HydrophobicContact CG1-CD1 3.71Å; L375-M383 CarbonylContact O-C 3.55Å; L375-K384 HydrophobicContact CD2-CB 4.22Å; L375-K384 HydrophobicContact CG-CB 4.21Å; L375-K384 PolarHBondContact O-N 3.23Å; L375-R385 HydrophobicContact CB-CB 4.01Å; L375-R385 HydrophobicContact CD2-CB 4.23Å; L375-R385 PolarHBondContact N-O 3.19Å; L375-R385 PolarHBondContact O-N 2.9Å; L375-F387 HydrophobicContact CB-CE2 4.01Å; L375-I418 HydrophobicContact CD2-CG2 4.48Å
376	W	97.9	Very high	96.5	Very high	6 Å²	6	44.3 Å²	44.3	2%	0.023	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.6	179.8	-45.2	83.2	0	0	0	109.9	L347 Q348 K363 V364 S366 R374 Q382 M383	L347-W376 HydrophobicContact CB-CD2 4.18Å; L347-W376 HydrophobicContact CB-CE3 4Å; L347-W376 HydrophobicContact CB-CH2 4.45Å; L347-W376 HydrophobicContact CB-CZ3 4.14Å; L347-W376 HydrophobicContact CD1-CB 3.99Å; L347-W376 HydrophobicContact CD1-CD2 4.08Å; L347-W376 HydrophobicContact CD1-CE3 4.49Å; L347-W376 HydrophobicContact CD1-CG 3.84Å; L347-W376 HydrophobicContact CD2-CE3 4.42Å; Q348-W376 VanDerWaalsContact O-CH2 3.27Å; Q348-W376 WeakPolarHBondContact O-CH2 3.19Å; Q348-W376 WeakPolarHBondContact O-CZ3 3.49Å; K363-W376 VanDerWaalsContact CA-O 3.28Å; K363-W376 WeakPolarHBondContact CA-O 3.2Å; V364-W376 HydrophobicContact CB-CB 4.23Å; V364-W376 PolarHBondContact N-O 2.84Å; V364-W376 PolarHBondContact O-N 3.35Å; S366-W376 PolarHBondContact OG-NE1 3.43Å; R374-W376 HydrophobicContact CB-CZ2 3.77Å; R374-W376 VanDerWaalsContact CD-CZ2 3.43Å; R374-W376 HydrophobicContact CG-CZ2 4.25Å; W376-Q382 CarbonylContact C-O 3.56Å; W376-Q382 WeakPolarHBondContact CA-O 3.38Å; W376-M383 HydrophobicContact CD2-CB 4.33Å; W376-M383 HydrophobicContact CE3-CB 3.64Å; W376-M383 HydrophobicContact CE3-CG 4.26Å; W376-M383 HydrophobicContact CH2-CB 4.22Å; W376-M383 HydrophobicContact CH2-CG 4.39Å; W376-M383 HydrophobicContact CZ3-CB 3.58Å; W376-M383 HydrophobicContact CZ3-CG 4.2Å
377	S	95.3	Very high	96.5	Very high	12 Å²	12	44.5 Å²	44.5	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.1	166	-151.4	0	0	0	0	109.4	I379 S380 G381 Q382 K384	S377-I379 VanDerWaalsContact C-N 3.31Å; S377-I379 PolarHBondContact O-N 3.11Å; S377-S380 WeakPolarHBondContact CB-OG 3.3Å; S377-G381 VanDerWaalsContact O-CA 3.27Å; S377-G381 WeakPolarHBondContact O-CA 3.46Å; S377-G381 PolarHBondContact O-N 2.95Å; S377-Q382 PolarHBondContact N-O 3.25Å; S377-K384 WeakPolarHBondContact OG-CE 3.39Å; S377-K384 PolarHBondContact OG-NZ 3.23Å; S377-K384 VanDerWaalsContact OG-NZ 3.12Å
378	I	91.3	Very high	96.4	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.118	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.7	178.7	-154.9	164.8	0	0	0	112.1	L260 L317 I319 L329 D360 H361 E362 V364	L260-I378 HydrophobicContact CD1-CD1 3.66Å; L317-I378 HydrophobicContact CD2-CD1 3.47Å; L317-I378 VanDerWaalsContact CD2-CD1 3.47Å; L317-I378 HydrophobicContact CD2-CG1 3.91Å; I319-I378 HydrophobicContact CD1-CD1 4.22Å; L329-I378 HydrophobicContact CD2-CG1 3.89Å; D360-I378 VanDerWaalsContact O-CD1 3.22Å; D360-I378 WeakPolarHBondContact O-CD1 3.28Å; H361-I378 WeakPolarHBondContact O-CG2 3.47Å; E362-I378 WeakPolarHBondContact O-CG2 3.45Å; E362-I378 PolarHBondContact O-N 2.72Å; V364-I378 HydrophobicContact CG2-CB 4.33Å; V364-I378 HydrophobicContact CG2-CD1 4.14Å; V364-I378 HydrophobicContact CG2-CG1 4.03Å
379	I	91.1	Very high	96.1	Very high	153 Å²	153	54.5 Å²	54.5	79%	0.785	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-50	-177.2	-60.1	169.7	0	0	0	111.6	S377	S377-I379 VanDerWaalsContact C-N 3.31Å; S377-I379 PolarHBondContact O-N 3.11Å
380	S	92.2	Very high	96	Very high	64 Å²	64	52.1 Å²	52.1	45%	0.448	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13	-176	67.6	0	0	0	0	113.9	S377 Q382	S377-S380 WeakPolarHBondContact CB-OG 3.3Å; S380-Q382 PolarHBondContact O-N 3.29Å; S380-Q382 VanDerWaalsContact O-N 3.13Å; S380-Q382 PolarHBondContact OG-N 3.43Å
381	G	92.4	Very high	95.9	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	29%	0.289	C	S	.	.			trans	66.8	4.4	-172.5	0	0	0	0	0	114.5	L347 S377	L347-G381 VanDerWaalsContact CD2-O 3.26Å; L347-G381 WeakPolarHBondContact CD2-O 3.2Å; S377-G381 VanDerWaalsContact O-CA 3.27Å; S377-G381 WeakPolarHBondContact O-CA 3.46Å; S377-G381 PolarHBondContact O-N 2.95Å
382	Q	95.7	Very high	95.8	Very high	134 Å²	134	55.1 Å²	55.1	63%	0.626	29%	0.287	S	S	*	.			trans	-83.6	142.8	-176.8	-66.5	177.3	-10.6	0	0	111.8	W376 S377 S380 K384	W376-Q382 CarbonylContact C-O 3.56Å; W376-Q382 WeakPolarHBondContact CA-O 3.38Å; S377-Q382 PolarHBondContact N-O 3.25Å; S380-Q382 PolarHBondContact O-N 3.29Å; S380-Q382 VanDerWaalsContact O-N 3.13Å; S380-Q382 PolarHBondContact OG-N 3.43Å; Q382-K384 PolarHBondContact O-N 3.28Å
383	M	97.1	Very high	95.8	Very high	80 Å²	80	55.1 Å²	55.1	39%	0.394	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	170.6	-170.7	-166.4	70.9	0	0	109.6	R374 L375 W376 I386	R374-M383 HydrophobicContact CG-SD 4.34Å; L375-M383 CarbonylContact O-C 3.55Å; W376-M383 HydrophobicContact CD2-CB 4.33Å; W376-M383 HydrophobicContact CE3-CB 3.64Å; W376-M383 HydrophobicContact CE3-CG 4.26Å; W376-M383 HydrophobicContact CH2-CB 4.22Å; W376-M383 HydrophobicContact CH2-CG 4.39Å; W376-M383 HydrophobicContact CZ3-CB 3.58Å; W376-M383 HydrophobicContact CZ3-CG 4.2Å; M383-I386 HydrophobicContact CE-CD1 3.77Å; M383-I386 HydrophobicContact CE-CG1 3.73Å; M383-I386 HydrophobicContact SD-CD1 3.73Å; M383-I386 HydrophobicContact SD-CG1 3.45Å; M383-I386 WeakPolarHBondContact SD-CG1 3.49Å
384	K	96.2	Very high	95.8	Very high	128 Å²	128	55 Å²	55	56%	0.557	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-34.8	177.7	-73.6	179.8	163.9	169.3	0	112.7	L375 S377 Q382	L375-K384 HydrophobicContact CD2-CB 4.22Å; L375-K384 HydrophobicContact CG-CB 4.21Å; L375-K384 PolarHBondContact O-N 3.23Å; S377-K384 WeakPolarHBondContact OG-CE 3.39Å; S377-K384 PolarHBondContact OG-NZ 3.23Å; S377-K384 VanDerWaalsContact OG-NZ 3.12Å; Q382-K384 PolarHBondContact O-N 3.28Å
385	R	95.8	Very high	95.8	Very high	88 Å²	88	54.1 Å²	54.1	33%	0.332	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.5	-172.8	-166.2	174.6	-72.4	-80.2	1	112.4	R374 L375 F387 S419 N420	R374-R385 WeakPolarHBondContact CA-O 3.1Å; L375-R385 HydrophobicContact CB-CB 4.01Å; L375-R385 HydrophobicContact CD2-CB 4.23Å; L375-R385 PolarHBondContact N-O 3.19Å; L375-R385 PolarHBondContact O-N 2.9Å; R385-F387 HydrophobicContact CG-CZ 4.49Å; R385-S419 VanDerWaalsContact CZ-O 3.27Å; R385-S419 PolarHBondContact NE-O 2.79Å; R385-S419 PolarHBondContact NH2-O 2.74Å; R385-N420 VanDerWaalsContact CZ-C 3.45Å; R385-N420 PolarHBondContact NH1-O 2.78Å
386	I	97.1	Very high	95.8	Very high	53 Å²	53	54 Å²	54	27%	0.272	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.5	169.3	-51.6	177.4	0	0	0	108	T372 I373 R374 M383 R388	T372-I386 HydrophobicContact CG2-CG2 4.04Å; I373-I386 CarbonylContact O-C 3.55Å; I373-I386 WeakPolarHBondContact O-CA 3.47Å; R374-I386 HydrophobicContact CG-CG1 4.37Å; M383-I386 HydrophobicContact CE-CD1 3.77Å; M383-I386 HydrophobicContact CE-CG1 3.73Å; M383-I386 HydrophobicContact SD-CD1 3.73Å; M383-I386 HydrophobicContact SD-CG1 3.45Å; M383-I386 WeakPolarHBondContact SD-CG1 3.49Å; I386-R388 HydrophobicContact CG2-CG 3.89Å
387	F	97.3	Very high	95.8	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.013	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120	170.6	-50.3	-102.9	0	0	0	108.2	I373 L375 R385 L404 W416	I373-F387 HydrophobicContact CB-CB 4.07Å; I373-F387 HydrophobicContact CB-CD2 3.91Å; I373-F387 HydrophobicContact CB-CG 4.35Å; I373-F387 HydrophobicContact CD1-CB 4.41Å; I373-F387 HydrophobicContact CG2-CD2 4.04Å; I373-F387 PolarHBondContact N-O 2.75Å; I373-F387 WeakPolarHBondContact O-CD2 3.45Å; I373-F387 PolarHBondContact O-N 3.42Å; L375-F387 HydrophobicContact CB-CE2 4.01Å; R385-F387 HydrophobicContact CG-CZ 4.49Å; F387-L404 HydrophobicContact CD1-CD2 4.47Å; F387-L404 HydrophobicContact CD2-CD2 4.26Å; F387-L404 HydrophobicContact CE1-CD2 4.31Å; F387-L404 HydrophobicContact CE2-CD2 4.13Å; F387-L404 HydrophobicContact CG-CD2 4.45Å; F387-L404 HydrophobicContact CZ-CD2 4.17Å; F387-W416 HydrophobicContact CB-CD2 4.13Å; F387-W416 HydrophobicContact CB-CE3 3.96Å; F387-W416 HydrophobicContact CB-CH2 4.42Å; F387-W416 HydrophobicContact CB-CZ3 4.1Å; F387-W416 HydrophobicContact CD1-CB 3.84Å; F387-W416 HydrophobicContact CD1-CD2 4.05Å; F387-W416 AromaticContact CD1-CE3 3.97Å; F387-W416 HydrophobicContact CD1-CE3 3.97Å; F387-W416 HydrophobicContact CD1-CG 4.01Å; F387-W416 HydrophobicContact CE1-CB 4.03Å; F387-W416 HydrophobicContact CG-CD2 4.48Å; F387-W416 HydrophobicContact CG-CE3 4.46Å
388	R	96.2	Very high	95.8	Very high	176 Å²	176	54.2 Å²	54.2	66%	0.664	29%	0.286	S	S	*	.			trans	-119.6	140.9	-179.9	-65.8	-176.8	177.3	-101	1.6	109.6	T372 I386 W416	T372-R388 HydrophobicContact CG2-CG 4.31Å; I386-R388 HydrophobicContact CG2-CG 3.89Å; R388-W416 WeakPolarHBondContact O-CH2 3.37Å; R388-W416 WeakPolarHBondContact O-CZ3 3.47Å
389	G	92.9	Very high	96	Very high	35 Å²	35	54.1 Å²	54.1	36%	0.361	29%	0.285	S	S	.	.			trans	156.3	-25.9	174.7	0	0	0	0	0	113.8	R414	G389-R414 VanDerWaalsContact C-CZ 3.49Å; G389-R414 PolarHBondContact O-NE 2.66Å; G389-R414 PolarHBondContact O-NH2 3.31Å
390	H	96.8	Very high	95.9	Very high	13 Å²	13	47.9 Å²	47.9	6%	0.06	25%	0.254	C	S	.	.			trans	-65.7	141.2	167.2	-80.4	-65.1	0	0	0	110.4	I394 S406 S408 D410 T412 W416	H390-I394 HydrophobicContact CB-CD1 3.76Å; H390-I394 WeakPolarHBondContact CD2-CD1 3.26Å; H390-S406 PolarHBondContact CD2-OG 3.26Å; H390-S406 PolarHBondContact NE2-O 3.1Å; H390-S406 PolarHBondContact NE2-OG 3.32Å; H390-S408 VanDerWaalsContact CE1-CB 3.46Å; H390-S408 WeakPolarHBondContact CE1-CB 3.34Å; H390-S408 WeakPolarHBondContact ND1-CB 3.25Å; H390-D410 VanDerWaalsContact CA-OD2 3.28Å; H390-D410 WeakPolarHBondContact CA-OD2 3.5Å; H390-D410 WeakPolarHBondContact CB-OD2 3.27Å; H390-D410 IonicContact CE1-OD1 3.84Å; H390-D410 IonicContact CE1-OD2 3.33Å; H390-D410 IonicContact CG-OD2 3.89Å; H390-D410 VanDerWaalsContact ND1-CG 3.34Å; H390-D410 IonicContact ND1-OD1 2.77Å; H390-D410 PolarHBondContact ND1-OD1 3.01Å; H390-D410 IonicContact ND1-OD2 3.53Å; H390-D410 PolarHBondContact ND1-OD2 2.55Å; H390-T412 PolarHBondContact CE1-OG1 3.01Å; H390-W416 AromaticContact CD2-CZ2 3.89Å
391	S	96.3	Very high	95.1	Very high	102 Å²	102	49.8 Å²	49.8	71%	0.713	26%	0.26	S	S	*	.	S	Bend	trans	-97.2	-1	179.8	62.6	0	0	0	0	113.3	D410	S391-D410 PolarHBondContact N-OD2 3.02Å; S391-D410 VanDerWaalsContact N-OD2 3.11Å; S391-D410 WeakPolarHBondContact OG-CB 3.45Å
392	A	97.6	Very high	94.7	Very high	26 Å²	26	54.2 Å²	54.2	22%	0.215	28%	0.28	C	S	.	.	S	Bend	trans	-147.2	173	174.4	0	0	0	0	0	110.8	C371 S408 L409 D410	C371-A392 WeakPolarHBondContact SG-CA 3.43Å; A392-S408 PolarHBondContact O-OG 3.49Å; A392-L409 HydrophobicContact CB-CB 3.8Å; A392-D410 HydrophobicContact CB-CB 3.99Å
393	G	98.1	Very high	94.6	Very high	6 Å²	6	49.1 Å²	49.1	6%	0.062	26%	0.256	C	S	.	.			trans	-56.7	142	-171.9	0	0	0	0	0	114.9	S408 L409	G393-S408 WeakPolarHBondContact O-CA 3.43Å; G393-S408 PolarHBondContact O-OG 3.16Å; G393-S408 VanDerWaalsContact O-OG 3.1Å; G393-L409 PolarHBondContact O-N 3.2Å
394	I	98.7	Very high	94.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.5	177.5	-49.9	-58.8	0	0	0	109.6	R355 S368 I373 H390 L397	R355-I394 WeakPolarHBondContact CB-O 3.12Å; S368-I394 WeakPolarHBondContact O-CG1 3.34Å; S368-I394 PolarHBondContact O-N 3.02Å; I373-I394 HydrophobicContact CD1-CD1 4.39Å; I373-I394 HydrophobicContact CG1-CD1 4.05Å; I373-I394 HydrophobicContact CG1-CG1 3.88Å; I373-I394 HydrophobicContact CG1-CG2 4.29Å; H390-I394 HydrophobicContact CB-CD1 3.76Å; H390-I394 WeakPolarHBondContact CD2-CD1 3.26Å; I394-L397 HydrophobicContact CG2-CD2 3.99Å; I394-L397 HydrophobicContact CG2-CG 4.2Å
395	T	98	Very high	94.6	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-32.8	-177.1	57	0	0	0	0	113.2	R355 G407 L409 V446	R355-T395 WeakPolarHBondContact CG-O 3.37Å; T395-G407 PolarHBondContact N-O 3.1Å; T395-G407 PolarHBondContact OG1-O 3.47Å; T395-L409 HydrophobicContact CG2-CD2 3.6Å; T395-L409 HydrophobicContact CG2-CG 3.67Å; T395-V446 WeakPolarHBondContact CB-O 3.23Å; T395-V446 WeakPolarHBondContact CG2-O 3.46Å; T395-V446 PolarHBondContact OG1-O 3.04Å
396	C	97.9	Very high	94.7	Very high	12 Å²	12	35.3 Å²	35.3	8%	0.081	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	153.6	-173.6	52.7	0	0	0	0	112.1	C356 G407 C448	C356-C396 VanDerWaalsContact SG-CA 3.56Å; C396-G407 PolarHBondContact O-N 3.11Å; C396-C448 WeakPolarHBondContact SG-CA 3.44Å
397	L	97.4	Very high	94.8	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140	179.4	-66	171.7	0	0	0	110	C356 Q358 I365 G367 I373 I394 L404 Y405 S406	C356-L397 VanDerWaalsContact SG-CG 3.59Å; Q358-L397 HydrophobicContact CG-CB 3.94Å; Q358-L397 WeakPolarHBondContact CG-O 3.24Å; I365-L397 HydrophobicContact CG2-CD1 4.07Å; G367-L397 VanDerWaalsContact N-CD1 3.28Å; I373-L397 HydrophobicContact CD1-CD2 3.74Å; I373-L397 HydrophobicContact CG1-CD2 4.02Å; I373-L397 HydrophobicContact CG2-CD1 3.88Å; I373-L397 HydrophobicContact CG2-CD2 4.17Å; I394-L397 HydrophobicContact CG2-CD2 3.99Å; I394-L397 HydrophobicContact CG2-CG 4.2Å; L397-L404 HydrophobicContact CB-CD1 4.46Å; L397-L404 HydrophobicContact CD2-CD1 4.04Å; L397-L404 HydrophobicContact CD2-CG 4.48Å; L397-Y405 WeakPolarHBondContact CA-O 3.45Å; L397-S406 VanDerWaalsContact CD2-CB 3.41Å
398	V	96.7	Very high	94.8	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.9	163.3	-68.2	0	0	0	0	107.8	Y405 L449 L451 L458	V398-Y405 HydrophobicContact CG2-CD2 4.2Å; V398-Y405 HydrophobicContact CG2-CG 4.31Å; V398-Y405 PolarHBondContact N-O 2.86Å; V398-Y405 VanDerWaalsContact N-O 3.1Å; V398-Y405 PolarHBondContact O-N 3.38Å; V398-L449 HydrophobicContact CG1-CB 4.1Å; V398-L449 WeakPolarHBondContact CG1-O 3.41Å; V398-L449 HydrophobicContact CG2-CB 3.74Å; V398-L449 HydrophobicContact CG2-CD1 4.26Å; V398-L451 HydrophobicContact CB-CD1 3.99Å; V398-L451 HydrophobicContact CB-CG 4.01Å; V398-L451 HydrophobicContact CG2-CD1 4.02Å; V398-L451 HydrophobicContact CG2-CD2 4.35Å; V398-L451 HydrophobicContact CG2-CG 3.7Å; V398-L458 HydrophobicContact CG2-CD1 3.98Å
399	Y	94.1	Very high	94.8	Very high	20 Å²	20	27.1 Å²	27.1	8%	0.078	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.9	175.8	76.8	-84.3	0	0	0	111.3	Q358 A359 D360 I365 F403 I418 L451 Y453	Q358-Y399 HydrophobicContact CB-CD1 3.58Å; Q358-Y399 HydrophobicContact CB-CE1 3.73Å; Q358-Y399 HydrophobicContact CG-CD1 4.19Å; A359-Y399 PolarHBondContact O-OH 3.38Å; D360-Y399 WeakPolarHBondContact CB-OH 3.4Å; D360-Y399 PolarHBondContact OD2-OH 2.83Å; D360-Y399 VanDerWaalsContact OD2-OH 3.12Å; I365-Y399 HydrophobicContact CD1-CD1 4.26Å; I365-Y399 HydrophobicContact CD1-CG 4.28Å; Y399-F403 CarbonylContact C-O 3.55Å; Y399-F403 VanDerWaalsContact CA-O 3.25Å; Y399-F403 WeakPolarHBondContact CA-O 3.33Å; Y399-F403 WeakPolarHBondContact CB-O 3.36Å; Y399-I418 HydrophobicContact CD2-CD1 4.08Å; Y399-I418 HydrophobicContact CG-CD1 4.38Å; Y399-L451 WeakPolarHBondContact O-CD1 3.31Å; Y399-Y453 PolarHBondContact O-OH 3.45Å
400	S	88.7	Confident	94.9	Very high	22 Å²	22	26.6 Å²	26.6	15%	0.154	16%	0.155	C	C	.	.			trans	-106.4	178.2	159.6	66.4	0	0	0	0	108.8	N402 F403 I418	S400-N402 VanDerWaalsContact C-N 3.28Å; S400-N402 PolarHBondContact O-N 2.86Å; S400-N402 VanDerWaalsContact O-N 3.08Å; S400-F403 PolarHBondContact N-O 3.18Å; S400-F403 PolarHBondContact O-N 3.1Å; S400-I418 WeakPolarHBondContact O-CD1 3.3Å
401	D	76.6	Confident	94.8	Very high	105 Å²	105	27.8 Å²	27.8	56%	0.561	16%	0.162	S	C	*	.	S	Bend	trans	-45.8	-48.3	-170.3	-57.7	-29.3	0	0	0	114.2
402	N	84.5	Confident	94.7	Very high	107 Å²	107	23.9 Å²	23.9	57%	0.572	13%	0.134	S	C	*	.	S	Bend	trans	-104.5	-22	-177	-66.2	-18.6	0	0	0	114.1	S400 I418	S400-N402 VanDerWaalsContact C-N 3.28Å; S400-N402 PolarHBondContact O-N 2.86Å; S400-N402 VanDerWaalsContact O-N 3.08Å; N402-I418 PolarHBondContact O-N 3.46Å
403	F	92.7	Very high	94.7	Very high	27 Å²	27	22.7 Å²	22.7	12%	0.118	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.2	-167.9	-60.9	-64.8	0	0	0	112.5	Y399 S400 Y405 I415 W416 Y424 I479	Y399-F403 CarbonylContact C-O 3.55Å; Y399-F403 VanDerWaalsContact CA-O 3.25Å; Y399-F403 WeakPolarHBondContact CA-O 3.33Å; Y399-F403 WeakPolarHBondContact CB-O 3.36Å; S400-F403 PolarHBondContact N-O 3.18Å; S400-F403 PolarHBondContact O-N 3.1Å; F403-Y405 HydrophobicContact CB-CE2 3.82Å; F403-I415 HydrophobicContact CB-CG2 4.17Å; F403-I415 HydrophobicContact CD1-CG2 4.03Å; F403-I415 HydrophobicContact CG-CG2 4.3Å; F403-W416 VanDerWaalsContact CA-O 3.32Å; F403-W416 WeakPolarHBondContact CA-O 3.3Å; F403-Y424 HydrophobicContact CD1-CD2 4.47Å; F403-Y424 AromaticContact CE1-CD2 3.85Å; F403-Y424 HydrophobicContact CE1-CD2 3.85Å; F403-Y424 AromaticContact CE1-CE2 3.88Å; F403-Y424 HydrophobicContact CE1-CE2 3.88Å; F403-I479 HydrophobicContact CE1-CD1 3.54Å; F403-I479 HydrophobicContact CE1-CG1 4.41Å; F403-I479 HydrophobicContact CE2-CD1 3.95Å; F403-I479 HydrophobicContact CZ-CD1 3.23Å; F403-I479 HydrophobicContact CZ-CG1 4.33Å; F403-I479 HydrophobicContact CZ-CG2 4.46Å
404	L	96	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133	168.6	174.1	67.6	0	0	0	108.7	I365 I373 F387 L397 I415 W416 I418	I365-L404 HydrophobicContact CD1-CD1 4.23Å; I365-L404 HydrophobicContact CG2-CD1 3.95Å; I365-L404 HydrophobicContact CG2-CD2 3.97Å; I373-L404 HydrophobicContact CD1-CD2 4.1Å; I373-L404 HydrophobicContact CG2-CD2 3.93Å; F387-L404 HydrophobicContact CD1-CD2 4.47Å; F387-L404 HydrophobicContact CD2-CD2 4.26Å; F387-L404 HydrophobicContact CE1-CD2 4.31Å; F387-L404 HydrophobicContact CE2-CD2 4.13Å; F387-L404 HydrophobicContact CG-CD2 4.45Å; F387-L404 HydrophobicContact CZ-CD2 4.17Å; L397-L404 HydrophobicContact CB-CD1 4.46Å; L397-L404 HydrophobicContact CD2-CD1 4.04Å; L397-L404 HydrophobicContact CD2-CG 4.48Å; L404-I415 CarbonylContact O-C 3.59Å; L404-I415 WeakPolarHBondContact O-CA 3.43Å; L404-W416 HydrophobicContact CB-CB 4.21Å; L404-W416 HydrophobicContact CD2-CG 4.43Å; L404-W416 PolarHBondContact N-O 3.01Å; L404-W416 PolarHBondContact O-N 3.12Å; L404-I418 HydrophobicContact CB-CD1 4.36Å; L404-I418 HydrophobicContact CB-CG1 3.8Å
405	Y	97.4	Very high	94.4	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	174.8	-53.4	-98	0	0	0	108.3	L397 V398 F403 R414 I415 L451 L458 L472 F475	L397-Y405 WeakPolarHBondContact CA-O 3.45Å; V398-Y405 HydrophobicContact CG2-CD2 4.2Å; V398-Y405 HydrophobicContact CG2-CG 4.31Å; V398-Y405 PolarHBondContact N-O 2.86Å; V398-Y405 VanDerWaalsContact N-O 3.1Å; V398-Y405 PolarHBondContact O-N 3.38Å; F403-Y405 HydrophobicContact CB-CE2 3.82Å; Y405-R414 WeakPolarHBondContact CA-O 3.21Å; Y405-I415 HydrophobicContact CD1-CB 4.49Å; Y405-I415 HydrophobicContact CD1-CD1 4.01Å; Y405-I415 HydrophobicContact CD1-CG1 3.74Å; Y405-I415 HydrophobicContact CD1-CG2 4.28Å; Y405-I415 HydrophobicContact CE1-CD1 3.72Å; Y405-I415 HydrophobicContact CE1-CG1 3.91Å; Y405-I415 HydrophobicContact CE1-CG2 4Å; Y405-L451 HydrophobicContact CD2-CD1 4.25Å; Y405-L451 HydrophobicContact CD2-CD2 4.14Å; Y405-L451 HydrophobicContact CE2-CD1 4.23Å; Y405-L451 HydrophobicContact CE2-CD2 3.93Å; Y405-L458 HydrophobicContact CD1-CD1 4.25Å; Y405-L458 HydrophobicContact CD1-CD2 3.72Å; Y405-L458 HydrophobicContact CE1-CD2 4.29Å; Y405-L458 HydrophobicContact CG-CD1 4.23Å; Y405-L458 HydrophobicContact CG-CD2 4.41Å; Y405-L472 HydrophobicContact CE1-CD2 4.41Å; Y405-F475 AromaticContact CE1-CD2 3.84Å; Y405-F475 HydrophobicContact CE1-CD2 3.84Å; Y405-F475 AromaticContact CE1-CE2 3.74Å; Y405-F475 HydrophobicContact CE1-CE2 3.74Å
406	S	98.3	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.3	-178.9	59.7	0	0	0	0	112.4	I373 H390 L397 V413 R414 W416	I373-S406 WeakPolarHBondContact CD1-OG 3.42Å; H390-S406 PolarHBondContact CD2-OG 3.26Å; H390-S406 PolarHBondContact NE2-O 3.1Å; H390-S406 PolarHBondContact NE2-OG 3.32Å; L397-S406 VanDerWaalsContact CD2-CB 3.41Å; S406-V413 CarbonylContact O-C 3.59Å; S406-V413 WeakPolarHBondContact O-CA 3.22Å; S406-R414 PolarHBondContact N-O 3.19Å; S406-R414 PolarHBondContact O-N 2.98Å; S406-W416 PolarHBondContact OG-NE1 2.82Å
407	G	97.8	Very high	94	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.6	170.7	0	0	0	0	0	110.5	T395 C396	T395-G407 PolarHBondContact N-O 3.1Å; T395-G407 PolarHBondContact OG1-O 3.47Å; C396-G407 PolarHBondContact O-N 3.11Å
408	S	97.9	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.6	-178.1	171.9	0	0	0	0	112.7	H390 A392 G393 D410 N411 T412 V446	H390-S408 VanDerWaalsContact CE1-CB 3.46Å; H390-S408 WeakPolarHBondContact CE1-CB 3.34Å; H390-S408 WeakPolarHBondContact ND1-CB 3.25Å; A392-S408 PolarHBondContact O-OG 3.49Å; G393-S408 WeakPolarHBondContact O-CA 3.43Å; G393-S408 PolarHBondContact O-OG 3.16Å; G393-S408 VanDerWaalsContact O-OG 3.1Å; S408-D410 VanDerWaalsContact CB-OD1 3.3Å; S408-D410 WeakPolarHBondContact CB-OD1 3.28Å; S408-D410 PolarHBondContact O-N 3.26Å; S408-D410 VanDerWaalsContact OG-CG 3.3Å; S408-D410 PolarHBondContact OG-N 3.19Å; S408-D410 PolarHBondContact OG-OD1 3.02Å; S408-N411 PolarHBondContact O-N 3.42Å; S408-T412 PolarHBondContact N-O 2.92Å; S408-V446 PolarHBondContact O-N 2.9Å
409	L	96.8	Very high	93.3	Very high	61 Å²	61	28.5 Å²	28.5	32%	0.319	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.2	165.3	-63.8	176.9	0	0	0	113.1	Y369 A392 G393 T395 N411 S445	Y369-L409 HydrophobicContact CE1-CD1 4.28Å; A392-L409 HydrophobicContact CB-CB 3.8Å; G393-L409 PolarHBondContact O-N 3.2Å; T395-L409 HydrophobicContact CG2-CD2 3.6Å; T395-L409 HydrophobicContact CG2-CG 3.67Å; L409-N411 PolarHBondContact O-N 3.16Å; L409-N411 PolarHBondContact O-OD1 3.3Å; L409-S445 PolarHBondContact O-OG 3.37Å
410	D	95	Very high	93.1	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	5.6	172.1	71.9	13.5	0	0	0	113.4	H390 S391 A392 S408 T412	H390-D410 VanDerWaalsContact CA-OD2 3.28Å; H390-D410 WeakPolarHBondContact CA-OD2 3.5Å; H390-D410 WeakPolarHBondContact CB-OD2 3.27Å; H390-D410 IonicContact CE1-OD1 3.84Å; H390-D410 IonicContact CE1-OD2 3.33Å; H390-D410 IonicContact CG-OD2 3.89Å; H390-D410 VanDerWaalsContact ND1-CG 3.34Å; H390-D410 IonicContact ND1-OD1 2.77Å; H390-D410 PolarHBondContact ND1-OD1 3.01Å; H390-D410 IonicContact ND1-OD2 3.53Å; H390-D410 PolarHBondContact ND1-OD2 2.55Å; S391-D410 PolarHBondContact N-OD2 3.02Å; S391-D410 VanDerWaalsContact N-OD2 3.11Å; S391-D410 WeakPolarHBondContact OG-CB 3.45Å; A392-D410 HydrophobicContact CB-CB 3.99Å; S408-D410 VanDerWaalsContact CB-OD1 3.3Å; S408-D410 WeakPolarHBondContact CB-OD1 3.28Å; S408-D410 PolarHBondContact O-N 3.26Å; S408-D410 VanDerWaalsContact OG-CG 3.3Å; S408-D410 PolarHBondContact OG-N 3.19Å; S408-D410 PolarHBondContact OG-OD1 3.02Å; D410-T412 PolarHBondContact O-N 3.28Å; D410-T412 WeakPolarHBondContact OD1-CB 3.32Å; D410-T412 PolarHBondContact OD1-N 2.63Å; D410-T412 PolarHBondContact OD1-OG1 3.13Å
411	N	93.6	Very high	93.1	Very high	39 Å²	39	30 Å²	30	21%	0.209	17%	0.167	C	C	.	.	S	Bend	trans	70.7	11.6	177.3	-42.2	-44.1	0	0	0	114.8	S408 L409 S443 S444 S445	S408-N411 PolarHBondContact O-N 3.42Å; L409-N411 PolarHBondContact O-N 3.16Å; L409-N411 PolarHBondContact O-OD1 3.3Å; N411-S443 WeakPolarHBondContact CB-OG 3.24Å; N411-S443 PolarHBondContact ND2-O 2.88Å; N411-S443 PolarHBondContact OD1-O 2.91Å; N411-S444 PolarHBondContact OD1-O 3.31Å; N411-S445 WeakPolarHBondContact OD1-CA 3.42Å; N411-S445 PolarHBondContact OD1-N 2.79Å; N411-S445 VanDerWaalsContact OD1-N 3.1Å; N411-S445 PolarHBondContact OD1-OG 3.19Å; N411-S445 VanDerWaalsContact OD1-OG 3.11Å
412	T	95	Very high	93.8	Very high	20 Å²	20	27 Å²	27	12%	0.123	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.3	178.3	73.3	0	0	0	0	112.1	H390 S408 D410 T426 L427 I428	H390-T412 PolarHBondContact CE1-OG1 3.01Å; S408-T412 PolarHBondContact N-O 2.92Å; D410-T412 PolarHBondContact O-N 3.28Å; D410-T412 WeakPolarHBondContact OD1-CB 3.32Å; D410-T412 PolarHBondContact OD1-N 2.63Å; D410-T412 PolarHBondContact OD1-OG1 3.13Å; T412-T426 HydrophobicContact CG2-CG2 3.86Å; T412-L427 WeakPolarHBondContact CA-O 3.4Å; T412-I428 HydrophobicContact CG2-CG1 4.27Å
413	V	97.1	Very high	94.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.5	162.1	178.2	0	0	0	0	108.3	S406 T426 L427 V446 L449 L458 V460	S406-V413 CarbonylContact O-C 3.59Å; S406-V413 WeakPolarHBondContact O-CA 3.22Å; V413-T426 CarbonylContact O-C 3.58Å; V413-L427 HydrophobicContact CB-CB 4Å; V413-L427 PolarHBondContact N-O 2.82Å; V413-L427 VanDerWaalsContact N-O 3.09Å; V413-L427 PolarHBondContact O-N 2.73Å; V413-V446 HydrophobicContact CG2-CB 4.48Å; V413-V446 HydrophobicContact CG2-CG1 4.01Å; V413-V446 HydrophobicContact CG2-CG2 3.74Å; V413-L449 HydrophobicContact CG1-CD1 4.14Å; V413-L449 HydrophobicContact CG1-CD2 4.24Å; V413-L449 HydrophobicContact CG2-CD2 3.83Å; V413-L458 HydrophobicContact CG1-CD2 4.22Å; V413-V460 HydrophobicContact CG2-CG1 3.76Å; V413-V460 HydrophobicContact CG2-CG2 4.25Å
414	R	96.1	Very high	94.1	Very high	42 Å²	42	21.9 Å²	21.9	16%	0.158	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.5	174.4	-72.7	178.6	174.7	-105.2	1.4	111.7	G389 Y405 S406 W416 C423 H425 T426	G389-R414 VanDerWaalsContact C-CZ 3.49Å; G389-R414 PolarHBondContact O-NE 2.66Å; G389-R414 PolarHBondContact O-NH2 3.31Å; Y405-R414 WeakPolarHBondContact CA-O 3.21Å; S406-R414 PolarHBondContact N-O 3.19Å; S406-R414 PolarHBondContact O-N 2.98Å; R414-W416 HydrophobicContact CB-CZ2 3.63Å; R414-W416 HydrophobicContact CG-CZ2 4.12Å; R414-C423 PolarHBondContact NH1-SG 2.78Å; R414-C423 VanDerWaalsContact NH1-SG 3.4Å; R414-H425 WeakPolarHBondContact CA-O 3.48Å; R414-T426 HydrophobicContact CG-CG2 4.46Å
415	I	95.6	Very high	93.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119	175.9	-50.7	-176.6	0	0	0	108.4	F403 L404 Y405 C423 Y424 H425 L427 F475	F403-I415 HydrophobicContact CB-CG2 4.17Å; F403-I415 HydrophobicContact CD1-CG2 4.03Å; F403-I415 HydrophobicContact CG-CG2 4.3Å; L404-I415 CarbonylContact O-C 3.59Å; L404-I415 WeakPolarHBondContact O-CA 3.43Å; Y405-I415 HydrophobicContact CD1-CB 4.49Å; Y405-I415 HydrophobicContact CD1-CD1 4.01Å; Y405-I415 HydrophobicContact CD1-CG1 3.74Å; Y405-I415 HydrophobicContact CD1-CG2 4.28Å; Y405-I415 HydrophobicContact CE1-CD1 3.72Å; Y405-I415 HydrophobicContact CE1-CG1 3.91Å; Y405-I415 HydrophobicContact CE1-CG2 4Å; I415-C423 CarbonylContact O-C 3.56Å; I415-C423 WeakPolarHBondContact O-CA 3.27Å; I415-Y424 PolarHBondContact O-N 2.88Å; I415-H425 HydrophobicContact CB-CB 4.1Å; I415-H425 HydrophobicContact CD1-CB 4Å; I415-H425 HydrophobicContact CG1-CB 4.1Å; I415-H425 PolarHBondContact N-O 2.85Å; I415-H425 PolarHBondContact O-N 2.8Å; I415-L427 HydrophobicContact CD1-CD1 3.57Å; I415-L427 HydrophobicContact CD1-CD2 4.48Å; I415-L427 HydrophobicContact CG1-CD1 3.9Å; I415-F475 HydrophobicContact CD1-CB 4.19Å; I415-F475 HydrophobicContact CD1-CD1 3.7Å; I415-F475 HydrophobicContact CD1-CD2 3.67Å; I415-F475 HydrophobicContact CD1-CE1 3.97Å; I415-F475 HydrophobicContact CD1-CE2 3.9Å; I415-F475 HydrophobicContact CD1-CG 3.57Å; I415-F475 HydrophobicContact CD1-CZ 4.06Å
416	W	94.8	Very high	93.6	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.3	-177.4	-41.3	80.9	0	0	0	110.5	I373 F387 R388 H390 F403 L404 S406 R414 V422 C423	I373-W416 HydrophobicContact CD1-CZ2 4.47Å; F387-W416 HydrophobicContact CB-CD2 4.13Å; F387-W416 HydrophobicContact CB-CE3 3.96Å; F387-W416 HydrophobicContact CB-CH2 4.42Å; F387-W416 HydrophobicContact CB-CZ3 4.1Å; F387-W416 HydrophobicContact CD1-CB 3.84Å; F387-W416 HydrophobicContact CD1-CD2 4.05Å; F387-W416 AromaticContact CD1-CE3 3.97Å; F387-W416 HydrophobicContact CD1-CE3 3.97Å; F387-W416 HydrophobicContact CD1-CG 4.01Å; F387-W416 HydrophobicContact CE1-CB 4.03Å; F387-W416 HydrophobicContact CG-CD2 4.48Å; F387-W416 HydrophobicContact CG-CE3 4.46Å; R388-W416 WeakPolarHBondContact O-CH2 3.37Å; R388-W416 WeakPolarHBondContact O-CZ3 3.47Å; H390-W416 AromaticContact CD2-CZ2 3.89Å; F403-W416 VanDerWaalsContact CA-O 3.32Å; F403-W416 WeakPolarHBondContact CA-O 3.3Å; L404-W416 HydrophobicContact CB-CB 4.21Å; L404-W416 HydrophobicContact CD2-CG 4.43Å; L404-W416 PolarHBondContact N-O 3.01Å; L404-W416 PolarHBondContact O-N 3.12Å; S406-W416 PolarHBondContact OG-NE1 2.82Å; R414-W416 HydrophobicContact CB-CZ2 3.63Å; R414-W416 HydrophobicContact CG-CZ2 4.12Å; W416-V422 CarbonylContact C-O 3.48Å; W416-V422 VanDerWaalsContact CA-O 3.3Å; W416-V422 WeakPolarHBondContact CA-O 3.43Å; W416-C423 HydrophobicContact CD2-CB 4.2Å; W416-C423 HydrophobicContact CE3-CB 3.52Å; W416-C423 HydrophobicContact CH2-CB 4.16Å; W416-C423 HydrophobicContact CZ3-CB 3.5Å
417	N	91.6	Very high	93.4	Very high	22 Å²	22	22.2 Å²	22.2	12%	0.118	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	122.8	162.4	175.8	-35.3	0	0	0	109.5	S419 N420 G421 V422 Y424	N417-S419 VanDerWaalsContact C-N 3.3Å; N417-S419 PolarHBondContact O-N 2.88Å; N417-S419 WeakPolarHBondContact OD1-CB 3.38Å; N417-S419 PolarHBondContact OD1-N 3Å; N417-S419 PolarHBondContact OD1-OG 3.01Å; N417-N420 WeakPolarHBondContact CB-OD1 3.47Å; N417-N420 VanDerWaalsContact CG-OD1 3.3Å; N417-N420 PolarHBondContact O-OD1 2.84Å; N417-N420 PolarHBondContact OD1-N 2.76Å; N417-G421 WeakPolarHBondContact O-CA 3.41Å; N417-G421 PolarHBondContact O-N 3.24Å; N417-V422 PolarHBondContact N-O 3.27Å; N417-Y424 HydrophobicContact CB-CD2 4.21Å; N417-Y424 HydrophobicContact CB-CE2 3.49Å; N417-Y424 VanDerWaalsContact CB-CE2 3.49Å; N417-Y424 PolarHBondContact ND2-OH 2.72Å
418	I	91.1	Very high	93.1	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.067	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-37.5	-174.6	-64.4	170.5	0	0	0	111.4	K363 I365 L375 Y399 S400 N402 L404	K363-I418 HydrophobicContact CD-CG2 4.45Å; I365-I418 HydrophobicContact CD1-CD1 4.47Å; L375-I418 HydrophobicContact CD2-CG2 4.48Å; Y399-I418 HydrophobicContact CD2-CD1 4.08Å; Y399-I418 HydrophobicContact CG-CD1 4.38Å; S400-I418 WeakPolarHBondContact O-CD1 3.3Å; N402-I418 PolarHBondContact O-N 3.46Å; L404-I418 HydrophobicContact CB-CD1 4.36Å; L404-I418 HydrophobicContact CB-CG1 3.8Å
419	S	89.7	Confident	92.6	Very high	88 Å²	88	26.6 Å²	26.6	62%	0.615	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-42.2	-173.4	70.6	0	0	0	0	112.7	R385 N417	R385-S419 VanDerWaalsContact CZ-O 3.27Å; R385-S419 PolarHBondContact NE-O 2.79Å; R385-S419 PolarHBondContact NH2-O 2.74Å; N417-S419 VanDerWaalsContact C-N 3.3Å; N417-S419 PolarHBondContact O-N 2.88Å; N417-S419 WeakPolarHBondContact OD1-CB 3.38Å; N417-S419 PolarHBondContact OD1-N 3Å; N417-S419 PolarHBondContact OD1-OG 3.01Å
420	N	88.3	Confident	91.5	Very high	57 Å²	57	24.8 Å²	24.8	31%	0.305	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-10.4	-172.9	69.1	12.8	0	0	0	114.1	R385 N417 V422 Y424	R385-N420 VanDerWaalsContact CZ-C 3.45Å; R385-N420 PolarHBondContact NH1-O 2.78Å; N417-N420 WeakPolarHBondContact CB-OD1 3.47Å; N417-N420 VanDerWaalsContact CG-OD1 3.3Å; N417-N420 PolarHBondContact O-OD1 2.84Å; N417-N420 PolarHBondContact OD1-N 2.76Å; N420-V422 VanDerWaalsContact C-N 3.28Å; N420-V422 HydrophobicContact CB-CG2 4.4Å; N420-V422 PolarHBondContact O-N 3.11Å; N420-V422 WeakPolarHBondContact OD1-CB 3.41Å; N420-V422 PolarHBondContact OD1-N 2.91Å; N420-Y424 PolarHBondContact ND2-OH 2.92Å
421	G	89.6	Confident	90.2	Very high	17 Å²	17	27.7 Å²	27.7	18%	0.175	16%	0.156	C	C	.	.			trans	79.8	1.1	178.9	0	0	0	0	0	116	N417	N417-G421 WeakPolarHBondContact O-CA 3.41Å; N417-G421 PolarHBondContact O-N 3.24Å
422	V	91	Very high	88.6	Confident	43 Å²	43	34.3 Å²	34.3	26%	0.261	18%	0.179	S	C	.	.			trans	-77.6	133.5	-174.7	178.5	0	0	0	0	110	W416 N417 N420 Y424 F507	W416-V422 CarbonylContact C-O 3.48Å; W416-V422 VanDerWaalsContact CA-O 3.3Å; W416-V422 WeakPolarHBondContact CA-O 3.43Å; N417-V422 PolarHBondContact N-O 3.27Å; N420-V422 VanDerWaalsContact C-N 3.28Å; N420-V422 HydrophobicContact CB-CG2 4.4Å; N420-V422 PolarHBondContact O-N 3.11Å; N420-V422 WeakPolarHBondContact OD1-CB 3.41Å; N420-V422 PolarHBondContact OD1-N 2.91Å; V422-Y424 HydrophobicContact CB-CE1 4.21Å; V422-Y424 HydrophobicContact CG1-CD1 3.93Å; V422-Y424 HydrophobicContact CG1-CE1 3.8Å; V422-F507 HydrophobicContact CG1-CB 4.3Å; V422-F507 HydrophobicContact CG1-CG 4.45Å
423	C	92.1	Very high	86.6	Confident	14 Å²	14	40 Å²	40	10%	0.095	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.9	169.3	-167.6	0	0	0	0	109	R414 I415 W416 P509	R414-C423 PolarHBondContact NH1-SG 2.78Å; R414-C423 VanDerWaalsContact NH1-SG 3.4Å; I415-C423 CarbonylContact O-C 3.56Å; I415-C423 WeakPolarHBondContact O-CA 3.27Å; W416-C423 HydrophobicContact CD2-CB 4.2Å; W416-C423 HydrophobicContact CE3-CB 3.52Å; W416-C423 HydrophobicContact CH2-CB 4.16Å; W416-C423 HydrophobicContact CZ3-CB 3.5Å; C423-P509 HydrophobicContact CB-CB 4.3Å
424	Y	90.7	Very high	84.6	Confident	11 Å²	11	47.6 Å²	47.6	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-39.1	176.4	-66.8	-40.4	0	0	0	112.5	F403 I415 N417 N420 V422 I479 P509 S510	F403-Y424 HydrophobicContact CD1-CD2 4.47Å; F403-Y424 AromaticContact CE1-CD2 3.85Å; F403-Y424 HydrophobicContact CE1-CD2 3.85Å; F403-Y424 AromaticContact CE1-CE2 3.88Å; F403-Y424 HydrophobicContact CE1-CE2 3.88Å; I415-Y424 PolarHBondContact O-N 2.88Å; N417-Y424 HydrophobicContact CB-CD2 4.21Å; N417-Y424 HydrophobicContact CB-CE2 3.49Å; N417-Y424 VanDerWaalsContact CB-CE2 3.49Å; N417-Y424 PolarHBondContact ND2-OH 2.72Å; N420-Y424 PolarHBondContact ND2-OH 2.92Å; V422-Y424 HydrophobicContact CB-CE1 4.21Å; V422-Y424 HydrophobicContact CG1-CD1 3.93Å; V422-Y424 HydrophobicContact CG1-CE1 3.8Å; Y424-I479 HydrophobicContact CD2-CD1 4.34Å; Y424-I479 HydrophobicContact CD2-CG1 3.86Å; Y424-I479 HydrophobicContact CE2-CG1 4.27Å; Y424-I479 HydrophobicContact CE2-CG2 4.08Å; Y424-I479 HydrophobicContact CG-CG1 4.39Å; Y424-P509 CarbonylContact O-C 3.59Å; Y424-P509 WeakPolarHBondContact O-CA 3.17Å; Y424-S510 PolarHBondContact O-N 2.83Å; Y424-S510 PolarHBondContact O-OG 2.91Å
425	H	91.3	Very high	82.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.2	-173.8	-54.6	-58.4	0	0	0	112.8	R414 I415 L427 F475 L478 S510 I512	R414-H425 WeakPolarHBondContact CA-O 3.48Å; I415-H425 HydrophobicContact CB-CB 4.1Å; I415-H425 HydrophobicContact CD1-CB 4Å; I415-H425 HydrophobicContact CG1-CB 4.1Å; I415-H425 PolarHBondContact N-O 2.85Å; I415-H425 PolarHBondContact O-N 2.8Å; H425-L427 HydrophobicContact CB-CD1 3.95Å; H425-F475 PolarHBondContact NE2-O 2.85Å; H425-L478 WeakPolarHBondContact CE1-CB 3.42Å; H425-S510 CarbonylContact C-O 3.4Å; H425-S510 VanDerWaalsContact CA-O 3.26Å; H425-S510 WeakPolarHBondContact CA-O 3.34Å; H425-S510 PolarHBondContact CE1-OG 2.52Å; H425-S510 PolarHBondContact ND1-OG 3.17Å; H425-I512 HydrophobicContact CB-CD1 4.03Å
426	T	93.1	Very high	80.8	Confident	13 Å²	13	58.5 Å²	58.5	8%	0.08	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.2	165.3	-54.5	0	0	0	0	108.1	T412 V413 R414 I428 P509 S510 T511 I512	T412-T426 HydrophobicContact CG2-CG2 3.86Å; V413-T426 CarbonylContact O-C 3.58Å; R414-T426 HydrophobicContact CG-CG2 4.46Å; T426-I428 HydrophobicContact CG2-CD1 4.44Å; T426-I428 HydrophobicContact CG2-CG1 4.11Å; T426-P509 WeakPolarHBondContact OG1-CG 3.45Å; T426-S510 PolarHBondContact N-O 3.35Å; T426-T511 CarbonylContact O-C 3.48Å; T426-T511 VanDerWaalsContact O-CA 3.29Å; T426-T511 WeakPolarHBondContact O-CA 3.46Å; T426-I512 PolarHBondContact O-N 3.42Å
427	L	93.4	Very high	78.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.7	176.7	-83.4	60.1	0	0	0	109	T412 V413 I415 H425 L458 F475 I512 L514	T412-L427 WeakPolarHBondContact CA-O 3.4Å; V413-L427 HydrophobicContact CB-CB 4Å; V413-L427 PolarHBondContact N-O 2.82Å; V413-L427 VanDerWaalsContact N-O 3.09Å; V413-L427 PolarHBondContact O-N 2.73Å; I415-L427 HydrophobicContact CD1-CD1 3.57Å; I415-L427 HydrophobicContact CD1-CD2 4.48Å; I415-L427 HydrophobicContact CG1-CD1 3.9Å; H425-L427 HydrophobicContact CB-CD1 3.95Å; L427-L458 HydrophobicContact CD2-CD2 4.01Å; L427-F475 HydrophobicContact CD1-CE1 4.25Å; L427-F475 HydrophobicContact CD2-CE1 3.95Å; L427-F475 HydrophobicContact CD2-CZ 3.86Å; L427-F475 HydrophobicContact CG-CE1 4.43Å; L427-I512 CarbonylContact C-O 3.59Å; L427-I512 VanDerWaalsContact CA-O 3.24Å; L427-I512 WeakPolarHBondContact CA-O 3.27Å; L427-I512 HydrophobicContact CD1-CB 4Å; L427-I512 HydrophobicContact CD1-CD1 4.23Å; L427-I512 HydrophobicContact CD1-CG1 4.47Å; L427-I512 HydrophobicContact CG-CB 4.09Å; L427-I512 HydrophobicContact CG-CG2 4.37Å; L427-L514 HydrophobicContact CB-CD1 3.95Å; L427-L514 HydrophobicContact CB-CG 4.16Å; L427-L514 HydrophobicContact CD2-CD1 4.19Å; L427-L514 HydrophobicContact CD2-CD2 4.04Å; L427-L514 HydrophobicContact CD2-CG 4.2Å; L427-L514 HydrophobicContact CG-CG 4.37Å
428	I	90.9	Very high	76.5	Confident	56 Å²	56	70.2 Å²	70.2	29%	0.287	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.3	-177.6	-56.4	-177.8	0	0	0	108.4	T412 T426 P430 T511 I512 Y513 L514	T412-I428 HydrophobicContact CG2-CG1 4.27Å; T426-I428 HydrophobicContact CG2-CD1 4.44Å; T426-I428 HydrophobicContact CG2-CG1 4.11Å; I428-P430 WeakPolarHBondContact O-CD 3.4Å; I428-T511 HydrophobicContact CB-CG2 4.38Å; I428-T511 HydrophobicContact CD1-CG2 3.67Å; I428-T511 HydrophobicContact CG1-CG2 4.02Å; I428-I512 PolarHBondContact N-O 3.37Å; I428-Y513 VanDerWaalsContact O-CA 3.3Å; I428-Y513 WeakPolarHBondContact O-CA 3.37Å; I428-L514 PolarHBondContact O-N 2.62Å
429	R	87.1	Confident	74.5	Confident	35 Å²	35	75.4 Å²	75.4	13%	0.132	40%	0.395	C	S	.	.			trans	-82.2	117.6	168.9	177	178.9	138.6	-166.8	-6.4	108.9	Y462 D464 T466 L468	R429-Y462 HydrophobicContact CB-CE1 4.38Å; R429-D464 IonicContact CZ-OD2 3.94Å; R429-D464 IonicContact NH1-OD1 3.47Å; R429-D464 PolarHBondContact NH1-OD1 2.84Å; R429-D464 VanDerWaalsContact NH1-OD1 3.17Å; R429-D464 IonicContact NH1-OD2 2.85Å; R429-D464 PolarHBondContact NH1-OD2 3.2Å; R429-D464 IonicContact NH2-OD2 2.77Å; R429-D464 PolarHBondContact NH2-OD2 3.43Å; R429-T466 PolarHBondContact NH1-OG1 2.92Å; R429-L468 HydrophobicContact CB-CD1 4.29Å; R429-L468 HydrophobicContact CG-CD1 3.8Å
430	P	73.9	Confident	72.3	Confident	24 Å²	24	75 Å²	75	16%	0.156	39%	0.391	C	S	.	.			trans	-68.7	137.3	175.7	28.7	-28.4	0	0	0	110	I428 Y432 Y513 L514	I428-P430 WeakPolarHBondContact O-CD 3.4Å; P430-Y432 HydrophobicContact CB-CD2 4.35Å; P430-Y432 HydrophobicContact CB-CE1 4.4Å; P430-Y432 HydrophobicContact CB-CE2 3.76Å; P430-Y432 HydrophobicContact CG-CD2 4.42Å; P430-Y432 HydrophobicContact CG-CE2 3.59Å; P430-Y513 HydrophobicContact CB-CD1 4.09Å; P430-Y513 HydrophobicContact CG-CD1 4.3Å; P430-L514 WeakPolarHBondContact CD-O 3.28Å
431	I	67.9	Low	70.5	Confident	84 Å²	84	79 Å²	79	43%	0.431	41%	0.411	S	S	.	.			trans	-104.8	99.1	171.2	-55.2	173.4	0	0	0	106.4	R433 I441	I431-R433 PolarHBondContact O-N 2.9Å; I431-I441 WeakPolarHBondContact CD1-O 3.32Å
432	Y	60	Low	68.8	Low	177 Å²	177	87 Å²	87	69%	0.694	44%	0.441	S	S	*	.			trans	-78.7	119.2	175.1	-63	-72.4	0	0	0	109.4	P430	P430-Y432 HydrophobicContact CB-CD2 4.35Å; P430-Y432 HydrophobicContact CB-CE1 4.4Å; P430-Y432 HydrophobicContact CB-CE2 3.76Å; P430-Y432 HydrophobicContact CG-CD2 4.42Å; P430-Y432 HydrophobicContact CG-CE2 3.59Å
433	R	54	Low	67.9	Low	140 Å²	140	86.3 Å²	86.3	53%	0.528	44%	0.438	S	S	.	.			trans	-84.6	133	173.3	-63.7	-174	-166.6	178	6	109	I431	I431-R433 PolarHBondContact O-N 2.9Å
434	N	55.4	Low	67.6	Low	159 Å²	159	86.4 Å²	86.4	85%	0.85	44%	0.439	S	S	*	.	S	Bend	trans	-85.4	-26.1	165.3	-72.2	-6.2	0	0	0	111.8
435	N	54.4	Low	67.7	Low	108 Å²	108	87 Å²	87	58%	0.578	45%	0.445	S	S	*	.			trans	-125.9	125.2	-176.5	-67.4	-13.9	0	0	0	111.2	T437	N435-T437 PolarHBondContact O-N 2.88Å
436	L	56	Low	67.9	Low	164 Å²	164	87 Å²	87	86%	0.859	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-8.6	-176.8	-73.8	158.5	0	0	0	114.2
437	T	51.1	Low	67.9	Low	132 Å²	132	86.6 Å²	86.6	81%	0.81	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	0.4	-164.5	53	0	0	0	0	116.1	N435	N435-T437 PolarHBondContact O-N 2.88Å
438	E	46	Very low	68.1	Low	139 Å²	139	87.1 Å²	87.1	65%	0.65	45%	0.446	S	S	*	.	S	Bend	trans	-109.5	149.5	179	-74.2	179.1	178.6	0	0	112.5
439	T	48.7	Very low	68.3	Low	123 Å²	123	84.9 Å²	84.9	76%	0.755	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-56.1	143.2	-179	46.3	0	0	0	0	111.1	I441	T439-I441 PolarHBondContact O-N 2.91Å; T439-I441 VanDerWaalsContact O-N 3.08Å
440	P	43.6	Very low	68.7	Low	80 Å²	80	84.2 Å²	84.2	52%	0.519	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-57.6	117.6	-178.8	21.1	-30.7	0	0	0	110.7	F442	P440-F442 PolarHBondContact O-N 3.16Å
441	I	50.1	Low	69.6	Low	141 Å²	141	83.5 Å²	83.5	72%	0.723	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-68.2	123.1	165.5	-59.5	168.5	0	0	0	106.7	I431 T439	I431-I441 WeakPolarHBondContact CD1-O 3.32Å; T439-I441 PolarHBondContact O-N 2.91Å; T439-I441 VanDerWaalsContact O-N 3.08Å
442	F	54.7	Low	70.7	Confident	183 Å²	183	79.5 Å²	79.5	80%	0.803	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-54.8	138.4	177.1	-61.5	-85.7	0	0	0	110.3	P440	P440-F442 PolarHBondContact O-N 3.16Å
443	S	72.6	Confident	72	Confident	29 Å²	29	75.1 Å²	75.1	20%	0.203	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-55.2	145.4	166.8	-175.6	0	0	0	0	109.8	N411	N411-S443 WeakPolarHBondContact CB-OG 3.24Å; N411-S443 PolarHBondContact ND2-O 2.88Å; N411-S443 PolarHBondContact OD1-O 2.91Å
444	S	85.5	Confident	73.4	Confident	17 Å²	17	70.8 Å²	70.8	12%	0.119	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-80.4	140.9	176.6	-169.6	0	0	0	0	109.8	N411 Y462 H463 D464	N411-S444 PolarHBondContact OD1-O 3.31Å; S444-Y462 VanDerWaalsContact O-CD1 3.27Å; S444-Y462 WeakPolarHBondContact O-CD1 3.48Å; S444-H463 WeakPolarHBondContact OG-CA 3.44Å; S444-H463 WeakPolarHBondContact OG-CB 3.49Å; S444-H463 PolarHBondContact OG-N 3.41Å; S444-H463 VanDerWaalsContact OG-N 3.16Å; S444-D464 PolarHBondContact OG-N 3.19Å
445	S	92.3	Very high	74.9	Confident	23 Å²	23	67.1 Å²	67.1	16%	0.161	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-66.3	147.5	177.8	-55.4	0	0	0	0	111.7	L409 N411 S447 Y462 H463	L409-S445 PolarHBondContact O-OG 3.37Å; N411-S445 WeakPolarHBondContact OD1-CA 3.42Å; N411-S445 PolarHBondContact OD1-N 2.79Å; N411-S445 VanDerWaalsContact OD1-N 3.1Å; N411-S445 PolarHBondContact OD1-OG 3.19Å; N411-S445 VanDerWaalsContact OD1-OG 3.11Å; S445-S447 PolarHBondContact O-N 2.98Å; S445-Y462 CarbonylContact O-C 3.56Å; S445-Y462 WeakPolarHBondContact O-CA 3.35Å; S445-H463 PolarHBondContact O-N 3.28Å
446	V	95	Very high	76.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.7	174.1	-177.9	0	0	0	0	108.2	T395 S408 V413 L449 V460 Y462	T395-V446 WeakPolarHBondContact CB-O 3.23Å; T395-V446 WeakPolarHBondContact CG2-O 3.46Å; T395-V446 PolarHBondContact OG1-O 3.04Å; S408-V446 PolarHBondContact O-N 2.9Å; V413-V446 HydrophobicContact CG2-CB 4.48Å; V413-V446 HydrophobicContact CG2-CG1 4.01Å; V413-V446 HydrophobicContact CG2-CG2 3.74Å; V446-L449 HydrophobicContact CG1-CD2 4.17Å; V446-L449 HydrophobicContact CG1-CG 4.44Å; V446-V460 HydrophobicContact CG1-CG1 3.85Å; V446-V460 HydrophobicContact CG2-CG1 4.37Å; V446-Y462 HydrophobicContact CG2-CD1 4.26Å; V446-Y462 HydrophobicContact CG2-CE1 3.78Å
447	S	94.4	Very high	78.3	Confident	5 Å²	5	58.6 Å²	58.6	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-47.3	-176.1	69.6	0	0	0	0	112.3	S445 A461 Y462 H463 I529	S445-S447 PolarHBondContact O-N 2.98Å; S447-A461 PolarHBondContact N-O 3.15Å; S447-A461 PolarHBondContact OG-O 2.69Å; S447-A461 VanDerWaalsContact OG-O 3.12Å; S447-Y462 PolarHBondContact OG-N 2.88Å; S447-H463 VanDerWaalsContact CB-CD2 3.47Å; S447-H463 WeakPolarHBondContact CB-CD2 3.49Å; S447-I529 WeakPolarHBondContact CB-O 3.3Å; S447-I529 PolarHBondContact OG-O 3.36Å; S447-I529 VanDerWaalsContact OG-O 3.1Å
448	C	95.8	Very high	80.3	Confident	10 Å²	10	52.3 Å²	52.3	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.3	-178.1	40.5	0	0	0	0	112	C396 A461 L532	C396-C448 WeakPolarHBondContact SG-CA 3.44Å; C448-A461 PolarHBondContact O-N 2.63Å; C448-A461 VanDerWaalsContact SG-CB 3.54Å; C448-L532 HydrophobicContact CB-CB 3.94Å; C448-L532 WeakPolarHBondContact SG-CB 3.49Å; C448-L532 PolarHBondContact SG-N 3.29Å; C448-L532 VanDerWaalsContact SG-N 3.38Å
449	L	97	Very high	82.6	Confident	10 Å²	10	45.7 Å²	45.7	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.8	178.1	-65.4	174.5	0	0	0	109.5	V398 V413 V446 L458 V459 V460	V398-L449 HydrophobicContact CG1-CB 4.1Å; V398-L449 WeakPolarHBondContact CG1-O 3.41Å; V398-L449 HydrophobicContact CG2-CB 3.74Å; V398-L449 HydrophobicContact CG2-CD1 4.26Å; V413-L449 HydrophobicContact CG1-CD1 4.14Å; V413-L449 HydrophobicContact CG1-CD2 4.24Å; V413-L449 HydrophobicContact CG2-CD2 3.83Å; V446-L449 HydrophobicContact CG1-CD2 4.17Å; V446-L449 HydrophobicContact CG1-CG 4.44Å; L449-L458 HydrophobicContact CB-CD1 4.47Å; L449-L458 HydrophobicContact CD2-CD1 4.29Å; L449-V459 WeakPolarHBondContact CA-O 3.21Å; L449-V460 HydrophobicContact CD2-CB 4.07Å; L449-V460 HydrophobicContact CD2-CG1 3.84Å; L449-V460 HydrophobicContact CD2-CG2 3.69Å
450	H	95.1	Very high	84.8	Confident	21 Å²	21	39.8 Å²	39.8	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.7	171	179.1	70	0	0	0	110.3	V459 L532 G534	H450-V459 HydrophobicContact CB-CB 4.43Å; H450-V459 PolarHBondContact N-O 2.8Å; H450-V459 PolarHBondContact O-N 3.12Å; H450-L532 HydrophobicContact CB-CD2 3.76Å; H450-L532 HydrophobicContact CB-CG 4.08Å; H450-G534 PolarHBondContact CE1-N 2.72Å; H450-G534 PolarHBondContact CE1-O 3.41Å; H450-G534 PolarHBondContact ND1-N 2.93Å
451	L	93.1	Very high	87.2	Confident	8 Å²	8	36 Å²	36	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.8	171.3	-72.7	171.4	0	0	0	109	V398 Y399 Y405 Y453 L458 L472	V398-L451 HydrophobicContact CB-CD1 3.99Å; V398-L451 HydrophobicContact CB-CG 4.01Å; V398-L451 HydrophobicContact CG2-CD1 4.02Å; V398-L451 HydrophobicContact CG2-CD2 4.35Å; V398-L451 HydrophobicContact CG2-CG 3.7Å; Y399-L451 WeakPolarHBondContact O-CD1 3.31Å; Y405-L451 HydrophobicContact CD2-CD1 4.25Å; Y405-L451 HydrophobicContact CD2-CD2 4.14Å; Y405-L451 HydrophobicContact CE2-CD1 4.23Å; Y405-L451 HydrophobicContact CE2-CD2 3.93Å; L451-Y453 HydrophobicContact CB-CE2 4.06Å; L451-Y453 PolarHBondContact O-N 3.1Å; L451-L458 HydrophobicContact CD2-CB 4.45Å; L451-L458 HydrophobicContact CD2-CD1 3.78Å; L451-L458 HydrophobicContact CG-CD1 4.43Å; L451-L472 HydrophobicContact CD2-CD1 4.18Å; L451-L472 HydrophobicContact CD2-CD2 3.9Å
452	D	90.5	Very high	89.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	93	173.3	175.9	0.8	0	0	0	108.6	S454 Q455 N456 R457 V459	D452-S454 PolarHBondContact O-N 2.92Å; D452-S454 WeakPolarHBondContact OD1-CB 3.27Å; D452-S454 PolarHBondContact OD1-N 3.09Å; D452-S454 PolarHBondContact OD1-OG 3.2Å; D452-Q455 PolarHBondContact OD1-N 2.71Å; D452-Q455 VanDerWaalsContact OD1-N 3.13Å; D452-Q455 WeakPolarHBondContact OD2-CB 3.39Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.43Å; D452-N456 WeakPolarHBondContact O-CA 3.48Å; D452-N456 PolarHBondContact O-N 2.76Å; D452-R457 HydrophobicContact CB-CG 3.81Å; D452-R457 PolarHBondContact N-O 3.22Å; D452-R457 PolarHBondContact O-N 3.1Å; D452-R457 IonicContact OD2-CZ 3.83Å; D452-R457 IonicContact OD2-NE 3.85Å; D452-R457 PolarHBondContact OD2-NE 2.82Å; D452-R457 IonicContact OD2-NH2 3.16Å; D452-R457 PolarHBondContact OD2-NH2 2.95Å; D452-V459 HydrophobicContact CB-CG2 4.21Å
453	Y	85.9	Confident	90.8	Very high	85 Å²	85	23.6 Å²	23.6	33%	0.333	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.1	177.6	-68.3	-74	0	0	0	113.1	Y399 L451 Q455 N456	Y399-Y453 PolarHBondContact O-OH 3.45Å; L451-Y453 HydrophobicContact CB-CE2 4.06Å; L451-Y453 PolarHBondContact O-N 3.1Å; Y453-Q455 VanDerWaalsContact C-N 3.34Å; Y453-N456 PolarHBondContact O-N 3.03Å
454	S	84.1	Confident	91.4	Very high	49 Å²	49	24.9 Å²	24.9	34%	0.343	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-31.1	-177.5	78	0	0	0	0	112.5	D452 V553	D452-S454 PolarHBondContact O-N 2.92Å; D452-S454 WeakPolarHBondContact OD1-CB 3.27Å; D452-S454 PolarHBondContact OD1-N 3.09Å; D452-S454 PolarHBondContact OD1-OG 3.2Å; S454-V553 WeakPolarHBondContact OG-CG1 3.49Å
455	Q	86.5	Confident	91.3	Very high	83 Å²	83	24.1 Å²	24.1	39%	0.388	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	7.4	175.1	-59.2	-64.9	-36.1	0	0	112.5	D452 Y453 R457 H471 V553	D452-Q455 PolarHBondContact OD1-N 2.71Å; D452-Q455 VanDerWaalsContact OD1-N 3.13Å; D452-Q455 WeakPolarHBondContact OD2-CB 3.39Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.43Å; Y453-Q455 VanDerWaalsContact C-N 3.34Å; Q455-R457 HydrophobicContact CB-CG 3.96Å; Q455-R457 PolarHBondContact O-N 3.22Å; Q455-H471 PolarHBondContact O-CD2 2.74Å; Q455-V553 HydrophobicContact CG-CG1 3.57Å
456	N	89.7	Confident	91	Very high	68 Å²	68	23 Å²	23	36%	0.364	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	52.3	-178.7	-172.7	49.6	0	0	0	113	D452 Y453 H471 L472	D452-N456 WeakPolarHBondContact O-CA 3.48Å; D452-N456 PolarHBondContact O-N 2.76Å; Y453-N456 PolarHBondContact O-N 3.03Å; N456-H471 PolarHBondContact ND2-CE1 2.84Å; N456-H471 PolarHBondContact ND2-NE2 2.82Å; N456-H471 VanDerWaalsContact ND2-NE2 3.12Å; N456-H471 PolarHBondContact O-CD2 3.39Å; N456-H471 PolarHBondContact O-NE2 2.76Å; N456-L472 WeakPolarHBondContact O-CG 3.48Å; N456-L472 PolarHBondContact O-N 3.48Å; N456-L472 WeakPolarHBondContact OD1-CD1 3.38Å
457	R	92	Very high	90.8	Very high	24 Å²	24	23 Å²	23	9%	0.091	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151	-176.1	65	-172.8	176.3	167.9	-2.9	112.8	D452 Q455 V459 K470 L518 N556	D452-R457 HydrophobicContact CB-CG 3.81Å; D452-R457 PolarHBondContact N-O 3.22Å; D452-R457 PolarHBondContact O-N 3.1Å; D452-R457 IonicContact OD2-CZ 3.83Å; D452-R457 IonicContact OD2-NE 3.85Å; D452-R457 PolarHBondContact OD2-NE 2.82Å; D452-R457 IonicContact OD2-NH2 3.16Å; D452-R457 PolarHBondContact OD2-NH2 2.95Å; Q455-R457 HydrophobicContact CB-CG 3.96Å; Q455-R457 PolarHBondContact O-N 3.22Å; R457-V459 HydrophobicContact CG-CG2 4.3Å; R457-K470 CarbonylContact C-O 3.59Å; R457-K470 VanDerWaalsContact CA-O 3.28Å; R457-K470 WeakPolarHBondContact CA-O 3.47Å; R457-K470 WeakPolarHBondContact CB-O 3.37Å; R457-L518 VanDerWaalsContact NH1-CD1 3.3Å; R457-N556 PolarHBondContact NH1-ND2 2.95Å; R457-N556 VanDerWaalsContact NH1-ND2 3.15Å; R457-N556 PolarHBondContact NH1-OD1 2.88Å; R457-N556 VanDerWaalsContact NH1-OD1 3.12Å; R457-N556 PolarHBondContact NH2-OD1 2.8Å
458	L	94.5	Very high	90.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127	166.9	179.5	68.8	0	0	0	108.4	V398 Y405 V413 L427 L449 L451 V460 A469 K470 L472 F475	V398-L458 HydrophobicContact CG2-CD1 3.98Å; Y405-L458 HydrophobicContact CD1-CD1 4.25Å; Y405-L458 HydrophobicContact CD1-CD2 3.72Å; Y405-L458 HydrophobicContact CE1-CD2 4.29Å; Y405-L458 HydrophobicContact CG-CD1 4.23Å; Y405-L458 HydrophobicContact CG-CD2 4.41Å; V413-L458 HydrophobicContact CG1-CD2 4.22Å; L427-L458 HydrophobicContact CD2-CD2 4.01Å; L449-L458 HydrophobicContact CB-CD1 4.47Å; L449-L458 HydrophobicContact CD2-CD1 4.29Å; L451-L458 HydrophobicContact CD2-CB 4.45Å; L451-L458 HydrophobicContact CD2-CD1 3.78Å; L451-L458 HydrophobicContact CG-CD1 4.43Å; L458-V460 HydrophobicContact CD2-CG2 3.99Å; L458-V460 HydrophobicContact CG-CG2 3.97Å; L458-A469 CarbonylContact O-C 3.5Å; L458-A469 WeakPolarHBondContact O-CA 3.24Å; L458-K470 PolarHBondContact N-O 2.7Å; L458-K470 PolarHBondContact O-N 3.5Å; L458-L472 HydrophobicContact CB-CD2 3.79Å; L458-F475 HydrophobicContact CB-CE2 4.27Å; L458-F475 HydrophobicContact CB-CZ 4.46Å; L458-F475 HydrophobicContact CD2-CE2 4.48Å; L458-F475 HydrophobicContact CD2-CZ 4.43Å
459	V	94.5	Very high	90.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.6	173.4	-169.9	0	0	0	0	108.4	L449 H450 D452 R457 V467 L468 A469 L518 L532 I539	L449-V459 WeakPolarHBondContact CA-O 3.21Å; H450-V459 HydrophobicContact CB-CB 4.43Å; H450-V459 PolarHBondContact N-O 2.8Å; H450-V459 PolarHBondContact O-N 3.12Å; D452-V459 HydrophobicContact CB-CG2 4.21Å; R457-V459 HydrophobicContact CG-CG2 4.3Å; V459-V467 HydrophobicContact CG1-CG1 3.46Å; V459-V467 VanDerWaalsContact CG1-CG1 3.46Å; V459-L468 CarbonylContact C-O 3.53Å; V459-L468 WeakPolarHBondContact CA-O 3.25Å; V459-A469 HydrophobicContact CG2-CB 4.34Å; V459-L518 HydrophobicContact CG1-CD2 4.01Å; V459-L532 HydrophobicContact CB-CD2 3.96Å; V459-L532 HydrophobicContact CG1-CD2 3.62Å; V459-I539 HydrophobicContact CG2-CD1 4.17Å
460	V	94.7	Very high	90.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.6	-174.6	-172.2	0	0	0	0	108.7	V413 V446 L449 L458 Y462 V467 L468 L514	V413-V460 HydrophobicContact CG2-CG1 3.76Å; V413-V460 HydrophobicContact CG2-CG2 4.25Å; V446-V460 HydrophobicContact CG1-CG1 3.85Å; V446-V460 HydrophobicContact CG2-CG1 4.37Å; L449-V460 HydrophobicContact CD2-CB 4.07Å; L449-V460 HydrophobicContact CD2-CG1 3.84Å; L449-V460 HydrophobicContact CD2-CG2 3.69Å; L458-V460 HydrophobicContact CD2-CG2 3.99Å; L458-V460 HydrophobicContact CG-CG2 3.97Å; V460-Y462 HydrophobicContact CB-CE2 4.2Å; V460-Y462 HydrophobicContact CG1-CD2 4.41Å; V460-Y462 HydrophobicContact CG1-CE1 4.38Å; V460-Y462 HydrophobicContact CG1-CE2 3.69Å; V460-V467 CarbonylContact O-C 3.55Å; V460-V467 WeakPolarHBondContact O-CA 3.38Å; V460-L468 PolarHBondContact N-O 3.24Å; V460-L468 PolarHBondContact O-N 2.89Å; V460-L514 HydrophobicContact CB-CD1 4.32Å; V460-L514 HydrophobicContact CG1-CD1 4.41Å; V460-L514 HydrophobicContact CG2-CD1 3.96Å
461	A	92.9	Very high	90	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	150.9	172.7	0	0	0	0	0	110.9	S447 C448 T466 V467 I529 L532	S447-A461 PolarHBondContact N-O 3.15Å; S447-A461 PolarHBondContact OG-O 2.69Å; S447-A461 VanDerWaalsContact OG-O 3.12Å; C448-A461 PolarHBondContact O-N 2.63Å; C448-A461 VanDerWaalsContact SG-CB 3.54Å; A461-T466 WeakPolarHBondContact CA-O 3.36Å; A461-V467 HydrophobicContact CB-CG2 4.06Å; A461-I529 HydrophobicContact CB-CB 4.46Å; A461-I529 HydrophobicContact CB-CD1 4.32Å; A461-I529 HydrophobicContact CB-CG2 3.93Å; A461-L532 HydrophobicContact CB-CB 4.44Å; A461-L532 HydrophobicContact CB-CD2 4.24Å
462	Y	91.3	Very high	89.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	161	-174.6	-67.1	-87.9	0	0	0	111.6	R429 S444 S445 V446 S447 V460 D464 G465 T466 L468 L514	R429-Y462 HydrophobicContact CB-CE1 4.38Å; S444-Y462 VanDerWaalsContact O-CD1 3.27Å; S444-Y462 WeakPolarHBondContact O-CD1 3.48Å; S445-Y462 CarbonylContact O-C 3.56Å; S445-Y462 WeakPolarHBondContact O-CA 3.35Å; V446-Y462 HydrophobicContact CG2-CD1 4.26Å; V446-Y462 HydrophobicContact CG2-CE1 3.78Å; S447-Y462 PolarHBondContact OG-N 2.88Å; V460-Y462 HydrophobicContact CB-CE2 4.2Å; V460-Y462 HydrophobicContact CG1-CD2 4.41Å; V460-Y462 HydrophobicContact CG1-CE1 4.38Å; V460-Y462 HydrophobicContact CG1-CE2 3.69Å; Y462-D464 WeakPolarHBondContact CB-OD1 3.29Å; Y462-D464 PolarHBondContact O-N 3.34Å; Y462-G465 PolarHBondContact O-N 2.81Å; Y462-G465 VanDerWaalsContact O-N 3.16Å; Y462-T466 HydrophobicContact CD2-CG2 4.48Å; Y462-T466 PolarHBondContact N-O 2.94Å; Y462-L468 HydrophobicContact CE2-CB 4.43Å; Y462-L468 HydrophobicContact CE2-CD1 3.9Å; Y462-L468 HydrophobicContact CE2-CG 4.04Å; Y462-L514 WeakPolarHBondContact OH-CD1 3.25Å
463	H	89.1	Confident	89.5	Confident	64 Å²	64	29.3 Å²	29.3	30%	0.296	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.1	178.5	-80.6	-175.3	0	0	0	114.3	S444 S445 S447 G465 L528	S444-H463 WeakPolarHBondContact OG-CA 3.44Å; S444-H463 WeakPolarHBondContact OG-CB 3.49Å; S444-H463 PolarHBondContact OG-N 3.41Å; S444-H463 VanDerWaalsContact OG-N 3.16Å; S445-H463 PolarHBondContact O-N 3.28Å; S447-H463 VanDerWaalsContact CB-CD2 3.47Å; S447-H463 WeakPolarHBondContact CB-CD2 3.49Å; H463-G465 VanDerWaalsContact C-N 3.3Å; H463-L528 HydrophobicContact CB-CD1 3.52Å; H463-L528 WeakPolarHBondContact CD2-CD1 3.34Å; H463-L528 VanDerWaalsContact CG-CD1 3.44Å; H463-L528 VanDerWaalsContact O-CA 3.31Å; H463-L528 WeakPolarHBondContact O-CA 3.43Å; H463-L528 VanDerWaalsContact O-CD1 3.31Å; H463-L528 WeakPolarHBondContact O-CD1 3.5Å
464	D	85.4	Confident	89.3	Confident	56 Å²	56	27.1 Å²	27.1	30%	0.299	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.1	178.5	67.8	1.2	0	0	0	113.9	R429 S444 Y462 T466	R429-D464 IonicContact CZ-OD2 3.94Å; R429-D464 IonicContact NH1-OD1 3.47Å; R429-D464 PolarHBondContact NH1-OD1 2.84Å; R429-D464 VanDerWaalsContact NH1-OD1 3.17Å; R429-D464 IonicContact NH1-OD2 2.85Å; R429-D464 PolarHBondContact NH1-OD2 3.2Å; R429-D464 IonicContact NH2-OD2 2.77Å; R429-D464 PolarHBondContact NH2-OD2 3.43Å; S444-D464 PolarHBondContact OG-N 3.19Å; Y462-D464 WeakPolarHBondContact CB-OD1 3.29Å; Y462-D464 PolarHBondContact O-N 3.34Å; D464-T466 VanDerWaalsContact C-N 3.32Å; D464-T466 VanDerWaalsContact CG-OG1 3.29Å; D464-T466 WeakPolarHBondContact OD1-CB 3.31Å; D464-T466 PolarHBondContact OD1-N 2.76Å; D464-T466 PolarHBondContact OD1-OG1 3.4Å; D464-T466 PolarHBondContact OD2-OG1 3.46Å
465	G	84.3	Confident	89.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	83.4	6.1	-178.9	0	0	0	0	0	114.6	Y462 H463 Y519 S527	Y462-G465 PolarHBondContact O-N 2.81Å; Y462-G465 VanDerWaalsContact O-N 3.16Å; H463-G465 VanDerWaalsContact C-N 3.3Å; G465-Y519 PolarHBondContact O-OH 2.92Å; G465-S527 VanDerWaalsContact CA-O 3.24Å; G465-S527 WeakPolarHBondContact CA-O 3.25Å
466	T	86.2	Confident	88.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.			trans	-76.6	138.5	173	-52.9	0	0	0	0	110.5	R429 A461 Y462 D464 L468 Y517	R429-T466 PolarHBondContact NH1-OG1 2.92Å; A461-T466 WeakPolarHBondContact CA-O 3.36Å; Y462-T466 HydrophobicContact CD2-CG2 4.48Å; Y462-T466 PolarHBondContact N-O 2.94Å; D464-T466 VanDerWaalsContact C-N 3.32Å; D464-T466 VanDerWaalsContact CG-OG1 3.29Å; D464-T466 WeakPolarHBondContact OD1-CB 3.31Å; D464-T466 PolarHBondContact OD1-N 2.76Å; D464-T466 PolarHBondContact OD1-OG1 3.4Å; D464-T466 PolarHBondContact OD2-OG1 3.46Å; T466-L468 HydrophobicContact CG2-CD2 3.79Å; T466-L468 HydrophobicContact CG2-CG 3.98Å; T466-Y517 HydrophobicContact CG2-CD1 4.1Å; T466-Y517 HydrophobicContact CG2-CE1 3.56Å
467	V	89.8	Confident	86.8	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.7	171.8	-171	0	0	0	0	109.1	V459 V460 A461 L518 Y519 I529 L532	V459-V467 HydrophobicContact CG1-CG1 3.46Å; V459-V467 VanDerWaalsContact CG1-CG1 3.46Å; V460-V467 CarbonylContact O-C 3.55Å; V460-V467 WeakPolarHBondContact O-CA 3.38Å; A461-V467 HydrophobicContact CB-CG2 4.06Å; V467-L518 HydrophobicContact CB-CB 4.26Å; V467-L518 HydrophobicContact CB-CD2 4.41Å; V467-L518 HydrophobicContact CG1-CB 3.96Å; V467-L518 HydrophobicContact CG1-CD2 3.66Å; V467-L518 HydrophobicContact CG1-CG 4.45Å; V467-L518 PolarHBondContact O-N 3.09Å; V467-Y519 HydrophobicContact CB-CE1 3.96Å; V467-Y519 HydrophobicContact CG2-CE1 4.24Å; V467-I529 HydrophobicContact CG2-CD1 3.39Å; V467-L532 HydrophobicContact CG1-CD1 4.5Å
468	L	90.5	Very high	85	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	159.9	177.8	-56.9	-176.5	0	0	0	109.8	R429 V459 V460 Y462 T466 L514 E516 Y517	R429-L468 HydrophobicContact CB-CD1 4.29Å; R429-L468 HydrophobicContact CG-CD1 3.8Å; V459-L468 CarbonylContact C-O 3.53Å; V459-L468 WeakPolarHBondContact CA-O 3.25Å; V460-L468 PolarHBondContact N-O 3.24Å; V460-L468 PolarHBondContact O-N 2.89Å; Y462-L468 HydrophobicContact CE2-CB 4.43Å; Y462-L468 HydrophobicContact CE2-CD1 3.9Å; Y462-L468 HydrophobicContact CE2-CG 4.04Å; T466-L468 HydrophobicContact CG2-CD2 3.79Å; T466-L468 HydrophobicContact CG2-CG 3.98Å; L468-L514 HydrophobicContact CD1-CB 3.74Å; L468-L514 VanDerWaalsContact CD1-O 3.28Å; L468-L514 WeakPolarHBondContact CD1-O 3.23Å; L468-E516 CarbonylContact C-O 3.37Å; L468-E516 VanDerWaalsContact CA-O 3.24Å; L468-E516 WeakPolarHBondContact CA-O 3.29Å; L468-Y517 HydrophobicContact CD2-CD1 3.69Å; L468-Y517 HydrophobicContact CD2-CD2 3.87Å; L468-Y517 HydrophobicContact CD2-CE1 3.91Å; L468-Y517 HydrophobicContact CD2-CE2 4.06Å; L468-Y517 HydrophobicContact CD2-CG 3.67Å
469	A	92.1	Very high	83	Confident	5 Å²	5	28.8 Å²	28.8	4%	0.041	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.9	171.2	0	0	0	0	0	110.6	L458 V459 E516 L518	L458-A469 CarbonylContact O-C 3.5Å; L458-A469 WeakPolarHBondContact O-CA 3.24Å; V459-A469 HydrophobicContact CG2-CB 4.34Å; A469-E516 PolarHBondContact N-O 2.97Å; A469-E516 WeakPolarHBondContact O-CB 3.43Å; A469-L518 HydrophobicContact CB-CD1 4.28Å
470	K	91.3	Very high	80.7	Confident	29 Å²	29	33.9 Å²	33.9	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.5	168.4	-154.7	83	-178.1	-165.1	0	109.2	R457 L458 L472 A474 F475 Y513 L514 D515 E516	R457-K470 CarbonylContact C-O 3.59Å; R457-K470 VanDerWaalsContact CA-O 3.28Å; R457-K470 WeakPolarHBondContact CA-O 3.47Å; R457-K470 WeakPolarHBondContact CB-O 3.37Å; L458-K470 PolarHBondContact N-O 2.7Å; L458-K470 PolarHBondContact O-N 3.5Å; K470-L472 PolarHBondContact O-N 2.96Å; K470-A474 HydrophobicContact CG-CB 4.27Å; K470-F475 HydrophobicContact CB-CZ 4.16Å; K470-F475 HydrophobicContact CG-CE1 4.31Å; K470-F475 HydrophobicContact CG-CZ 4.43Å; K470-Y513 PolarHBondContact NZ-O 3.33Å; K470-L514 HydrophobicContact CB-CD2 3.71Å; K470-L514 HydrophobicContact CD-CD2 4.28Å; K470-L514 HydrophobicContact CG-CD2 4.35Å; K470-D515 IonicContact NZ-OD1 3.6Å; K470-D515 PolarHBondContact NZ-OD1 3.16Å; K470-E516 IonicContact NZ-OE1 3.47Å
471	H	91.1	Very high	78.2	Confident	79 Å²	79	35.9 Å²	35.9	37%	0.366	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.9	177.5	-171	-99.4	0	0	0	110.9	Q455 N456 S473 A474	Q455-H471 PolarHBondContact O-CD2 2.74Å; N456-H471 PolarHBondContact ND2-CE1 2.84Å; N456-H471 PolarHBondContact ND2-NE2 2.82Å; N456-H471 VanDerWaalsContact ND2-NE2 3.12Å; N456-H471 PolarHBondContact O-CD2 3.39Å; N456-H471 PolarHBondContact O-NE2 2.76Å; H471-S473 PolarHBondContact CE1-OG 2.86Å; H471-S473 VanDerWaalsContact CE1-OG 3.28Å; H471-S473 VanDerWaalsContact ND1-CB 3.29Å; H471-S473 WeakPolarHBondContact ND1-CB 3.35Å; H471-S473 PolarHBondContact ND1-N 2.88Å; H471-S473 PolarHBondContact ND1-OG 3.26Å; H471-S473 PolarHBondContact O-N 2.89Å; H471-A474 VanDerWaalsContact O-CB 3.26Å; H471-A474 WeakPolarHBondContact O-CB 3.2Å; H471-A474 PolarHBondContact O-N 2.91Å
472	L	88.9	Confident	75.9	Confident	16 Å²	16	38.6 Å²	38.6	8%	0.084	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.1	-26	-173.6	-63.4	-176.7	0	0	0	112.5	Y405 L451 N456 L458 K470 A474 F475	Y405-L472 HydrophobicContact CE1-CD2 4.41Å; L451-L472 HydrophobicContact CD2-CD1 4.18Å; L451-L472 HydrophobicContact CD2-CD2 3.9Å; N456-L472 WeakPolarHBondContact O-CG 3.48Å; N456-L472 PolarHBondContact O-N 3.48Å; N456-L472 WeakPolarHBondContact OD1-CD1 3.38Å; L458-L472 HydrophobicContact CB-CD2 3.79Å; K470-L472 PolarHBondContact O-N 2.96Å; L472-A474 PolarHBondContact O-N 3.47Å; L472-A474 VanDerWaalsContact O-N 3.17Å; L472-F475 HydrophobicContact CB-CD2 4.47Å; L472-F475 HydrophobicContact CD2-CD2 4.03Å; L472-F475 HydrophobicContact CD2-CE2 3.59Å; L472-F475 WeakPolarHBondContact O-CB 3.34Å; L472-F475 WeakPolarHBondContact O-CD2 3.36Å; L472-F475 PolarHBondContact O-N 2.81Å; L472-F475 VanDerWaalsContact O-N 3.08Å
473	S	84.4	Confident	73.5	Confident	56 Å²	56	42.5 Å²	42.5	39%	0.392	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-64.8	-16.5	175.5	77.6	0	0	0	0	113.3	H471 F475 N476 P477	H471-S473 PolarHBondContact CE1-OG 2.86Å; H471-S473 VanDerWaalsContact CE1-OG 3.28Å; H471-S473 VanDerWaalsContact ND1-CB 3.29Å; H471-S473 WeakPolarHBondContact ND1-CB 3.35Å; H471-S473 PolarHBondContact ND1-N 2.88Å; H471-S473 PolarHBondContact ND1-OG 3.26Å; H471-S473 PolarHBondContact O-N 2.89Å; S473-F475 PolarHBondContact O-N 3.44Å; S473-N476 PolarHBondContact O-N 3.09Å; S473-P477 WeakPolarHBondContact O-CD 3.27Å
474	A	82	Confident	70.9	Confident	38 Å²	38	46 Å²	46	31%	0.314	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-65.3	-19.1	174.3	0	0	0	0	0	112.1	K470 H471 L472	K470-A474 HydrophobicContact CG-CB 4.27Å; H471-A474 VanDerWaalsContact O-CB 3.26Å; H471-A474 WeakPolarHBondContact O-CB 3.2Å; H471-A474 PolarHBondContact O-N 2.91Å; L472-A474 PolarHBondContact O-N 3.47Å; L472-A474 VanDerWaalsContact O-N 3.17Å
475	F	81.3	Confident	68.7	Low	2 Å²	2	49 Å²	49	1%	0.009	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-29.4	-177.3	-45.8	-36.1	0	0	0	112.1	Y405 I415 H425 L427 L458 K470 L472 S473 I479 I512	Y405-F475 AromaticContact CE1-CD2 3.84Å; Y405-F475 HydrophobicContact CE1-CD2 3.84Å; Y405-F475 AromaticContact CE1-CE2 3.74Å; Y405-F475 HydrophobicContact CE1-CE2 3.74Å; I415-F475 HydrophobicContact CD1-CB 4.19Å; I415-F475 HydrophobicContact CD1-CD1 3.7Å; I415-F475 HydrophobicContact CD1-CD2 3.67Å; I415-F475 HydrophobicContact CD1-CE1 3.97Å; I415-F475 HydrophobicContact CD1-CE2 3.9Å; I415-F475 HydrophobicContact CD1-CG 3.57Å; I415-F475 HydrophobicContact CD1-CZ 4.06Å; H425-F475 PolarHBondContact NE2-O 2.85Å; L427-F475 HydrophobicContact CD1-CE1 4.25Å; L427-F475 HydrophobicContact CD2-CE1 3.95Å; L427-F475 HydrophobicContact CD2-CZ 3.86Å; L427-F475 HydrophobicContact CG-CE1 4.43Å; L458-F475 HydrophobicContact CB-CE2 4.27Å; L458-F475 HydrophobicContact CB-CZ 4.46Å; L458-F475 HydrophobicContact CD2-CE2 4.48Å; L458-F475 HydrophobicContact CD2-CZ 4.43Å; K470-F475 HydrophobicContact CB-CZ 4.16Å; K470-F475 HydrophobicContact CG-CE1 4.31Å; K470-F475 HydrophobicContact CG-CZ 4.43Å; L472-F475 HydrophobicContact CB-CD2 4.47Å; L472-F475 HydrophobicContact CD2-CD2 4.03Å; L472-F475 HydrophobicContact CD2-CE2 3.59Å; L472-F475 WeakPolarHBondContact O-CB 3.34Å; L472-F475 WeakPolarHBondContact O-CD2 3.36Å; L472-F475 PolarHBondContact O-N 2.81Å; L472-F475 VanDerWaalsContact O-N 3.08Å; S473-F475 PolarHBondContact O-N 3.44Å; F475-I479 WeakPolarHBondContact O-CD1 3.47Å; F475-I512 HydrophobicContact CD1-CD1 3.66Å; F475-I512 HydrophobicContact CE1-CD1 4.14Å
476	N	71.9	Confident	66.6	Low	81 Å²	81	54.7 Å²	54.7	43%	0.433	31%	0.305	S	S	.	.	H	α-helix	trans	-65.2	-43.5	-173.9	-69	-17.5	0	0	0	116.3	S473 L478 I479	S473-N476 PolarHBondContact O-N 3.09Å; N476-L478 PolarHBondContact O-N 2.79Å; N476-L478 VanDerWaalsContact O-N 3.15Å; N476-I479 PolarHBondContact O-N 2.9Å; N476-I479 VanDerWaalsContact O-N 3.1Å
477	P	55	Low	64.1	Low	92 Å²	92	58.8 Å²	58.8	60%	0.597	33%	0.334	S	S	*	.	H	α-helix	trans	-59.9	-29.5	-174.3	-23.7	31.1	0	0	0	113.3	S473	S473-P477 WeakPolarHBondContact O-CD 3.27Å
478	L	52.7	Low	61.3	Low	73 Å²	73	64 Å²	64	38%	0.382	37%	0.366	S	S	.	.	H	α-helix	trans	-82.1	-20.8	-177	-65.3	161.3	0	0	0	112.2	H425 N476 H482 I512	H425-L478 WeakPolarHBondContact CE1-CB 3.42Å; N476-L478 PolarHBondContact O-N 2.79Å; N476-L478 VanDerWaalsContact O-N 3.15Å; L478-H482 PolarHBondContact O-CD2 2.75Å; L478-I512 HydrophobicContact CD1-CD1 4.13Å; L478-I512 HydrophobicContact CD1-CG1 4.48Å
479	I	52.6	Low	58.5	Low	12 Å²	12	70.2 Å²	70.2	6%	0.062	40%	0.404	C	S	.	.	H	α-helix	trans	-79.8	-38.1	-179.5	-63.5	155.6	0	0	0	111.4	F403 Y424 F475 N476 G481 H482 N483	F403-I479 HydrophobicContact CE1-CD1 3.54Å; F403-I479 HydrophobicContact CE1-CG1 4.41Å; F403-I479 HydrophobicContact CE2-CD1 3.95Å; F403-I479 HydrophobicContact CZ-CD1 3.23Å; F403-I479 HydrophobicContact CZ-CG1 4.33Å; F403-I479 HydrophobicContact CZ-CG2 4.46Å; Y424-I479 HydrophobicContact CD2-CD1 4.34Å; Y424-I479 HydrophobicContact CD2-CG1 3.86Å; Y424-I479 HydrophobicContact CE2-CG1 4.27Å; Y424-I479 HydrophobicContact CE2-CG2 4.08Å; Y424-I479 HydrophobicContact CG-CG1 4.39Å; F475-I479 WeakPolarHBondContact O-CD1 3.47Å; N476-I479 PolarHBondContact O-N 2.9Å; N476-I479 VanDerWaalsContact O-N 3.1Å; I479-G481 VanDerWaalsContact C-N 3.33Å; I479-G481 PolarHBondContact O-N 3.45Å; I479-H482 PolarHBondContact O-N 2.77Å; I479-H482 VanDerWaalsContact O-N 3.14Å; I479-N483 PolarHBondContact O-N 3.33Å; I479-N483 VanDerWaalsContact O-N 3.12Å
480	N	45.9	Very low	55.6	Low	107 Å²	107	77.9 Å²	77.9	57%	0.572	44%	0.444	S	S	*	.	H	α-helix	trans	-66.5	-33.8	-178.9	-77.4	-7.8	0	0	0	112.8	H482 N483 H484	N480-H482 VanDerWaalsContact C-N 3.26Å; N480-H482 PolarHBondContact O-N 2.68Å; N480-N483 PolarHBondContact O-N 3.01Å; N480-H484 PolarHBondContact O-CD2 3.42Å
481	G	43.8	Very low	52.6	Low	41 Å²	41	81.9 Å²	81.9	42%	0.423	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-39.4	172.3	0	0	0	0	0	112	I479	I479-G481 VanDerWaalsContact C-N 3.33Å; I479-G481 PolarHBondContact O-N 3.45Å
482	H	44	Very low	49.6	Very low	57 Å²	57	84.5 Å²	84.5	26%	0.264	49%	0.493	S	S	.	.	H	α-helix	trans	-78.5	-24.5	-178.9	-64.7	-48.3	0	0	0	114.4	L478 I479 N480 F507	L478-H482 PolarHBondContact O-CD2 2.75Å; I479-H482 PolarHBondContact O-N 2.77Å; I479-H482 VanDerWaalsContact O-N 3.14Å; N480-H482 VanDerWaalsContact C-N 3.26Å; N480-H482 PolarHBondContact O-N 2.68Å; H482-F507 HydrophobicContact CB-CE1 4.46Å
483	N	40.3	Very low	46.9	Very low	83 Å²	83	87.4 Å²	87.4	44%	0.444	53%	0.527	S	S	.	.	H	α-helix	trans	-70.9	-31.1	174.8	-80.4	-19.7	0	0	0	112.5	I479 N480	I479-N483 PolarHBondContact O-N 3.33Å; I479-N483 VanDerWaalsContact O-N 3.12Å; N480-N483 PolarHBondContact O-N 3.01Å
484	H	36	Very low	44.3	Very low	137 Å²	137	92.5 Å²	92.5	63%	0.634	55%	0.548	S	S	*	.	H	α-helix	trans	-69.2	-38.6	177.8	-85.6	-69.4	0	0	0	112.4	N480 L486 S487	N480-H484 PolarHBondContact O-CD2 3.42Å; H484-L486 PolarHBondContact O-N 3.45Å; H484-S487 PolarHBondContact O-N 2.93Å; H484-S487 PolarHBondContact O-OG 2.92Å
485	D	38	Very low	41.9	Very low	119 Å²	119	97.9 Å²	97.9	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-67.1	-22.1	-179.1	-68.6	-20.7	0	0	0	113.4	S487	D485-S487 VanDerWaalsContact C-N 3.28Å; D485-S487 PolarHBondContact O-N 3.24Å
486	L	40.9	Very low	39.4	Very low	119 Å²	119	100.8 Å²	100.8	62%	0.623	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-9.6	178	-73.6	165.6	0	0	0	114	H484	H484-L486 PolarHBondContact O-N 3.45Å
487	S	33.1	Very low	37.4	Very low	87 Å²	87	104.4 Å²	104.4	61%	0.608	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	-1	-175.7	67.2	0	0	0	0	115.4	H484 D485	H484-S487 PolarHBondContact O-N 2.93Å; H484-S487 PolarHBondContact O-OG 2.92Å; D485-S487 VanDerWaalsContact C-N 3.28Å; D485-S487 PolarHBondContact O-N 3.24Å
488	V	31.7	Very low	36.2	Very low	109 Å²	109	107.3 Å²	107.3	66%	0.661	64%	0.638	S	S	*	*			trans	-110.2	75.9	-173.5	-169.3	0	0	0	0	111.9
489	T	31.2	Very low	35.2	Very low	133 Å²	133	110.1 Å²	110.1	82%	0.816	65%	0.654	S	S	*	*			trans	-152.1	47	150.5	50	0	0	0	0	111.3
490	N	30.8	Very low	34.2	Very low	165 Å²	165	116.9 Å²	116.9	88%	0.882	69%	0.69	S	S	*	*			trans	-108.6	68.1	162.2	-92.3	-8.4	0	0	0	109.6
491	T	29.2	Very low	33.4	Very low	114 Å²	114	118.3 Å²	118.3	70%	0.699	70%	0.697	S	S	*	*			trans	-143.6	109.1	164	45.5	0	0	0	0	111.1
492	T	28.7	Very low	32.8	Very low	133 Å²	133	121 Å²	121	82%	0.816	71%	0.71	S	S	*	*			trans	64.8	95.7	139.2	61.4	0	0	0	0	118.5
493	G	31.1	Very low	32.2	Very low	78 Å²	78	125.2 Å²	125.2	80%	0.804	73%	0.733	S	S	*	*				67.7	77.3	126.1	0	0	0	0	0	117.4
494	I	30.9	Very low	31.9	Very low	163 Å²	163	126.8 Å²	126.8	84%	0.836	75%	0.746	S	S	*	*			trans	-136.5	103	149.9	-57.1	-179.5	0	0	0	108	G496	I494-G496 PolarHBondContact O-N 2.79Å
495	T	30	Very low	31.8	Very low	150 Å²	150	130.1 Å²	130.1	92%	0.92	75%	0.754	S	S	*	*			trans	-66.1	107.5	162.7	48.4	0	0	0	0	108.2
496	G	29.2	Very low	32.2	Very low	64 Å²	64	127.9 Å²	127.9	66%	0.66	75%	0.751	S	S	*	*			trans	174.3	98.5	176.9	0	0	0	0	0	114.8	I494	I494-G496 PolarHBondContact O-N 2.79Å
497	N	30.6	Very low	33.1	Very low	157 Å²	157	126.4 Å²	126.4	84%	0.84	74%	0.74	S	S	*	*			trans	64.6	106.9	158.3	-104.6	-12.5	0	0	0	119.6	N499	N497-N499 VanDerWaalsContact C-N 3.27Å; N497-N499 PolarHBondContact O-N 3.25Å
498	N	29.8	Very low	35	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	75%	0.748	S	S	*	*			trans	-65	69.8	170.7	-73.6	-23.7	0	0	0	113.1
499	N	30.8	Very low	37.3	Very low	133 Å²	133	128.3 Å²	128.3	71%	0.711	73%	0.728	S	S	*	*			trans	-94.6	95.8	155.7	-75.6	-9.4	0	0	0	107.3	N497 N501	N497-N499 VanDerWaalsContact C-N 3.27Å; N497-N499 PolarHBondContact O-N 3.25Å; N499-N501 PolarHBondContact O-N 2.62Å
500	N	32.4	Very low	40	Very low	153 Å²	153	123.8 Å²	123.8	82%	0.818	70%	0.702	S	S	*	*			trans	-65.9	55.8	168.8	-76.1	-15.1	0	0	0	110.7	S502	N500-S502 PolarHBondContact O-N 3.41Å
501	N	28.7	Very low	42.6	Very low	137 Å²	137	119.3 Å²	119.3	73%	0.733	68%	0.68	S	S	*	*			trans	-73.8	87.2	156.4	-82.8	-4.1	0	0	0	105.4	N499 L503	N499-N501 PolarHBondContact O-N 2.62Å; N501-L503 VanDerWaalsContact C-N 3.28Å; N501-L503 PolarHBondContact O-N 3.21Å
502	S	31.9	Very low	45.2	Very low	99 Å²	99	114.8 Å²	114.8	69%	0.692	65%	0.652	S	S	*	*			trans	-46	101.1	161.6	177	0	0	0	0	107	N500 T504	N500-S502 PolarHBondContact O-N 3.41Å; S502-T504 PolarHBondContact O-N 3.31Å
503	L	31.3	Very low	47.9	Very low	144 Å²	144	114.6 Å²	114.6	75%	0.754	64%	0.637	S	S	*	*			trans	-64.9	84.2	173.7	-75.8	159.4	0	0	0	105.9	N501 W505	N501-L503 VanDerWaalsContact C-N 3.28Å; N501-L503 PolarHBondContact O-N 3.21Å; L503-W505 VanDerWaalsContact O-CD1 3.24Å; L503-W505 PolarHBondContact O-N 3.04Å
504	T	33.1	Very low	50.3	Low	117 Å²	117	111 Å²	111	72%	0.718	60%	0.599	S	S	*	*			trans	-71.4	88.2	167.7	56.2	0	0	0	0	105.7	S502 A506	S502-T504 PolarHBondContact O-N 3.31Å; T504-A506 PolarHBondContact O-N 3.01Å
505	W	33.7	Very low	52.5	Low	207 Å²	207	107 Å²	107	78%	0.784	58%	0.579	S	S	*	*			trans	-49.7	118.6	166.3	-68.4	76.2	0	0	0	106.6	L503 F507	L503-W505 VanDerWaalsContact O-CD1 3.24Å; L503-W505 PolarHBondContact O-N 3.04Å; W505-F507 HydrophobicContact CB-CD2 4.2Å; W505-F507 HydrophobicContact CB-CE2 4.15Å; W505-F507 PolarHBondContact O-N 2.82Å
506	A	46.1	Very low	54.8	Low	71 Å²	71	104.6 Å²	104.6	59%	0.587	56%	0.558	S	S	*	*			trans	-65.8	90.4	175.2	0	0	0	0	0	107.1	T504 Y508	T504-A506 PolarHBondContact O-N 3.01Å; A506-Y508 HydrophobicContact CB-CD2 4.5Å; A506-Y508 HydrophobicContact CB-CE2 3.89Å; A506-Y508 VanDerWaalsContact O-CD2 3.23Å; A506-Y508 WeakPolarHBondContact O-CD2 3.43Å; A506-Y508 PolarHBondContact O-N 3.03Å
507	F	60.1	Low	57.2	Low	88 Å²	88	107 Å²	107	39%	0.386	55%	0.548	S	S	.	.			trans	-68.6	102.6	174.1	-93.3	-89.6	0	0	0	107.9	V422 H482 W505	V422-F507 HydrophobicContact CG1-CB 4.3Å; V422-F507 HydrophobicContact CG1-CG 4.45Å; H482-F507 HydrophobicContact CB-CE1 4.46Å; W505-F507 HydrophobicContact CB-CD2 4.2Å; W505-F507 HydrophobicContact CB-CE2 4.15Å; W505-F507 PolarHBondContact O-N 2.82Å
508	Y	74.1	Confident	59.4	Low	201 Å²	201	99.8 Å²	99.8	79%	0.788	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-79.2	121.6	170.5	-68.9	-81.7	0	0	0	108.7	A506 S510	A506-Y508 HydrophobicContact CB-CD2 4.5Å; A506-Y508 HydrophobicContact CB-CE2 3.89Å; A506-Y508 VanDerWaalsContact O-CD2 3.23Å; A506-Y508 WeakPolarHBondContact O-CD2 3.43Å; A506-Y508 PolarHBondContact O-N 3.03Å; Y508-S510 PolarHBondContact O-N 2.9Å
509	P	80.2	Confident	61.3	Low	36 Å²	36	93.1 Å²	93.1	23%	0.234	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-64.9	137.4	177.6	27.2	-33.5	0	0	0	109.6	C423 Y424 T426	C423-P509 HydrophobicContact CB-CB 4.3Å; Y424-P509 CarbonylContact O-C 3.59Å; Y424-P509 WeakPolarHBondContact O-CA 3.17Å; T426-P509 WeakPolarHBondContact OG1-CG 3.45Å
510	S	86.6	Confident	62.4	Low	37 Å²	37	96.9 Å²	96.9	26%	0.259	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	148.5	176.1	48.3	0	0	0	0	111.3	Y424 H425 T426 Y508	Y424-S510 PolarHBondContact O-N 2.83Å; Y424-S510 PolarHBondContact O-OG 2.91Å; H425-S510 CarbonylContact C-O 3.4Å; H425-S510 VanDerWaalsContact CA-O 3.26Å; H425-S510 WeakPolarHBondContact CA-O 3.34Å; H425-S510 PolarHBondContact CE1-OG 2.52Å; H425-S510 PolarHBondContact ND1-OG 3.17Å; T426-S510 PolarHBondContact N-O 3.35Å; Y508-S510 PolarHBondContact O-N 2.9Å
511	T	86.5	Confident	63.2	Low	71 Å²	71	93.8 Å²	93.8	44%	0.436	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.8	-178.8	-60.9	0	0	0	0	110.9	T426 I428 Y513	T426-T511 CarbonylContact O-C 3.48Å; T426-T511 VanDerWaalsContact O-CA 3.29Å; T426-T511 WeakPolarHBondContact O-CA 3.46Å; I428-T511 HydrophobicContact CB-CG2 4.38Å; I428-T511 HydrophobicContact CD1-CG2 3.67Å; I428-T511 HydrophobicContact CG1-CG2 4.02Å; T511-Y513 HydrophobicContact CG2-CE1 4.27Å
512	I	83.9	Confident	64.1	Low	19 Å²	19	94.7 Å²	94.7	10%	0.097	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.7	174.3	-59.7	178.9	0	0	0	109.1	H425 T426 L427 I428 F475 L478	H425-I512 HydrophobicContact CB-CD1 4.03Å; T426-I512 PolarHBondContact O-N 3.42Å; L427-I512 CarbonylContact C-O 3.59Å; L427-I512 VanDerWaalsContact CA-O 3.24Å; L427-I512 WeakPolarHBondContact CA-O 3.27Å; L427-I512 HydrophobicContact CD1-CB 4Å; L427-I512 HydrophobicContact CD1-CD1 4.23Å; L427-I512 HydrophobicContact CD1-CG1 4.47Å; L427-I512 HydrophobicContact CG-CB 4.09Å; L427-I512 HydrophobicContact CG-CG2 4.37Å; I428-I512 PolarHBondContact N-O 3.37Å; F475-I512 HydrophobicContact CD1-CD1 3.66Å; F475-I512 HydrophobicContact CE1-CD1 4.14Å; L478-I512 HydrophobicContact CD1-CD1 4.13Å; L478-I512 HydrophobicContact CD1-CG1 4.48Å
513	Y	84.6	Confident	64.8	Low	129 Å²	129	98 Å²	98	51%	0.506	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.3	178.3	-63.5	-72.5	0	0	0	112.4	I428 P430 K470 T511	I428-Y513 VanDerWaalsContact O-CA 3.3Å; I428-Y513 WeakPolarHBondContact O-CA 3.37Å; P430-Y513 HydrophobicContact CB-CD1 4.09Å; P430-Y513 HydrophobicContact CG-CD1 4.3Å; K470-Y513 PolarHBondContact NZ-O 3.33Å; T511-Y513 HydrophobicContact CG2-CE1 4.27Å
514	L	81.9	Confident	65.8	Low	2 Å²	2	96.7 Å²	96.7	1%	0.01	46%	0.461	C	S	.	.			trans	-96.2	105.3	172.6	-74.4	172.6	0	0	0	109.9	L427 I428 P430 V460 Y462 L468 K470	L427-L514 HydrophobicContact CB-CD1 3.95Å; L427-L514 HydrophobicContact CB-CG 4.16Å; L427-L514 HydrophobicContact CD2-CD1 4.19Å; L427-L514 HydrophobicContact CD2-CD2 4.04Å; L427-L514 HydrophobicContact CD2-CG 4.2Å; L427-L514 HydrophobicContact CG-CG 4.37Å; I428-L514 PolarHBondContact O-N 2.62Å; P430-L514 WeakPolarHBondContact CD-O 3.28Å; V460-L514 HydrophobicContact CB-CD1 4.32Å; V460-L514 HydrophobicContact CG1-CD1 4.41Å; V460-L514 HydrophobicContact CG2-CD1 3.96Å; Y462-L514 WeakPolarHBondContact OH-CD1 3.25Å; L468-L514 HydrophobicContact CD1-CB 3.74Å; L468-L514 VanDerWaalsContact CD1-O 3.28Å; L468-L514 WeakPolarHBondContact CD1-O 3.23Å; K470-L514 HydrophobicContact CB-CD2 3.71Å; K470-L514 HydrophobicContact CD-CD2 4.28Å; K470-L514 HydrophobicContact CG-CD2 4.35Å
515	D	76.1	Confident	66.7	Low	79 Å²	79	91.9 Å²	91.9	42%	0.422	43%	0.432	S	S	.	.			trans	-128.3	-13.8	-173.5	53.9	-11.4	0	0	0	113.7	K470 Y517	K470-D515 IonicContact NZ-OD1 3.6Å; K470-D515 PolarHBondContact NZ-OD1 3.16Å; D515-Y517 PolarHBondContact O-N 3.37Å
516	E	79.2	Confident	67.8	Low	101 Å²	101	85.5 Å²	85.5	47%	0.472	43%	0.43	S	S	.	.			trans	-86	107.1	-179.9	-71.1	169.7	-151.3	0	0	110.7	L468 A469 K470	L468-E516 CarbonylContact C-O 3.37Å; L468-E516 VanDerWaalsContact CA-O 3.24Å; L468-E516 WeakPolarHBondContact CA-O 3.29Å; A469-E516 PolarHBondContact N-O 2.97Å; A469-E516 WeakPolarHBondContact O-CB 3.43Å; K470-E516 IonicContact NZ-OE1 3.47Å
517	Y	79.3	Confident	69.3	Low	115 Å²	115	83.1 Å²	83.1	45%	0.451	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-67.4	137.2	172	-73.8	-101	0	0	0	110.6	T466 L468 D515 Y519	T466-Y517 HydrophobicContact CG2-CD1 4.1Å; T466-Y517 HydrophobicContact CG2-CE1 3.56Å; L468-Y517 HydrophobicContact CD2-CD1 3.69Å; L468-Y517 HydrophobicContact CD2-CD2 3.87Å; L468-Y517 HydrophobicContact CD2-CE1 3.91Å; L468-Y517 HydrophobicContact CD2-CE2 4.06Å; L468-Y517 HydrophobicContact CD2-CG 3.67Å; D515-Y517 PolarHBondContact O-N 3.37Å; Y517-Y519 WeakPolarHBondContact CB-O 3.36Å; Y517-Y519 HydrophobicContact CD1-CE2 4.12Å; Y517-Y519 PolarHBondContact O-N 3.14Å
518	L	76.5	Confident	70.6	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.021	40%	0.4	C	S	.	.	S	Bend	trans	-61.5	-40.2	176.2	-179.1	66	0	0	0	110.6	R457 V459 V467 A469 I539 N556	R457-L518 VanDerWaalsContact NH1-CD1 3.3Å; V459-L518 HydrophobicContact CG1-CD2 4.01Å; V467-L518 HydrophobicContact CB-CB 4.26Å; V467-L518 HydrophobicContact CB-CD2 4.41Å; V467-L518 HydrophobicContact CG1-CB 3.96Å; V467-L518 HydrophobicContact CG1-CD2 3.66Å; V467-L518 HydrophobicContact CG1-CG 4.45Å; V467-L518 PolarHBondContact O-N 3.09Å; A469-L518 HydrophobicContact CB-CD1 4.28Å; L518-I539 HydrophobicContact CD1-CD1 4.18Å; L518-I539 HydrophobicContact CD2-CD1 4.19Å; L518-I539 HydrophobicContact CD2-CG2 4.29Å; L518-N556 WeakPolarHBondContact O-CB 3.46Å; L518-N556 VanDerWaalsContact O-CG 3.29Å; L518-N556 PolarHBondContact O-ND2 3.46Å; L518-N556 VanDerWaalsContact O-ND2 3.09Å
519	Y	70.7	Confident	71.4	Confident	13 Å²	13	71.2 Å²	71.2	5%	0.051	36%	0.363	C	S	.	.			trans	-105.4	144.8	-178.1	44.5	-102.6	0	0	0	111.8	G465 V467 Y517 T521	G465-Y519 PolarHBondContact O-OH 2.92Å; V467-Y519 HydrophobicContact CB-CE1 3.96Å; V467-Y519 HydrophobicContact CG2-CE1 4.24Å; Y517-Y519 WeakPolarHBondContact CB-O 3.36Å; Y517-Y519 HydrophobicContact CD1-CE2 4.12Å; Y517-Y519 PolarHBondContact O-N 3.14Å; Y519-T521 WeakPolarHBondContact CD2-O 3.49Å
520	K	53.6	Low	72.1	Confident	211 Å²	211	72.8 Å²	72.8	92%	0.917	37%	0.365	S	S	*	.	S	Bend	trans	-81.6	-16.6	178	-72.7	-173.6	176.7	-176.2	0	114.4
521	T	48.6	Very low	72.5	Confident	88 Å²	88	71.8 Å²	71.8	54%	0.54	36%	0.357	S	S	.	.	S	Bend	trans	-107.5	138.5	-175	51.6	0	0	0	0	109.4	Y519 Y523	Y519-T521 WeakPolarHBondContact CD2-O 3.49Å; T521-Y523 PolarHBondContact O-N 3.1Å
522	D	47.7	Very low	72.8	Confident	156 Å²	156	69 Å²	69	83%	0.834	34%	0.34	S	S	*	.			trans	-61.8	28.9	178.2	-75.1	-37.1	0	0	0	115.6	K524	D522-K524 PolarHBondContact O-N 3.48Å
523	Y	47	Very low	73.3	Confident	170 Å²	170	69.8 Å²	69.8	67%	0.667	35%	0.345	S	S	*	.			trans	-69.3	68.5	162.2	-112.2	-86.3	0	0	0	108.8	T521 S525	T521-Y523 PolarHBondContact O-N 3.1Å; Y523-S525 PolarHBondContact O-N 2.88Å
524	K	52.7	Low	73.7	Confident	116 Å²	116	64.1 Å²	64.1	50%	0.504	33%	0.326	S	S	.	.			trans	-54.8	127.3	152.1	-70.2	-176.8	179.6	177.5	0	104.6	D522 G526	D522-K524 PolarHBondContact O-N 3.48Å; K524-G526 PolarHBondContact O-N 3.29Å
525	S	51.6	Low	74.1	Confident	15 Å²	15	64.2 Å²	64.2	11%	0.105	33%	0.327	C	S	.	.			trans	-53.9	-16.4	174.8	-173.1	0	0	0	0	111.8	Y523 S527 K549	Y523-S525 PolarHBondContact O-N 2.88Å; S525-S527 PolarHBondContact O-N 3.23Å; S525-K549 WeakPolarHBondContact OG-CE 3.33Å
526	G	57.1	Low	74.6	Confident	73 Å²	73	61.3 Å²	61.3	75%	0.753	31%	0.313	S	S	*	.	S	Bend	trans	64.7	-0.2	-177.8	0	0	0	0	0	112.7	K524	K524-G526 PolarHBondContact O-N 3.29Å
527	S	78.1	Confident	75	Confident	21 Å²	21	56.5 Å²	56.5	15%	0.147	29%	0.291	C	S	.	.	S	Bend	trans	-140	152.4	-166.9	-174.9	0	0	0	0	109.2	G465 S525 I529 D545	G465-S527 VanDerWaalsContact CA-O 3.24Å; G465-S527 WeakPolarHBondContact CA-O 3.25Å; S525-S527 PolarHBondContact O-N 3.23Å; S527-I529 PolarHBondContact O-N 2.77Å; S527-D545 PolarHBondContact OG-N 2.69Å
528	L	87.4	Confident	75.6	Confident	37 Å²	37	51.4 Å²	51.4	19%	0.194	27%	0.271	C	S	.	.			trans	-64.7	112.8	-178.6	171.4	49.5	0	0	0	110.2	H463 R530 S543 D544	H463-L528 HydrophobicContact CB-CD1 3.52Å; H463-L528 WeakPolarHBondContact CD2-CD1 3.34Å; H463-L528 VanDerWaalsContact CG-CD1 3.44Å; H463-L528 VanDerWaalsContact O-CA 3.31Å; H463-L528 WeakPolarHBondContact O-CA 3.43Å; H463-L528 VanDerWaalsContact O-CD1 3.31Å; H463-L528 WeakPolarHBondContact O-CD1 3.5Å; L528-R530 VanDerWaalsContact CD2-NH2 3.3Å; L528-S543 VanDerWaalsContact O-CA 3.24Å; L528-S543 WeakPolarHBondContact O-CA 3.1Å; L528-S543 WeakPolarHBondContact O-CB 3.18Å; L528-D544 HydrophobicContact CB-CB 4.31Å; L528-D544 WeakPolarHBondContact CD2-OD2 3.34Å; L528-D544 PolarHBondContact O-N 3.01Å
529	I	91.1	Very high	76.4	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.9	172.4	-66.4	169	0	0	0	108.4	S447 A461 V467 S527 C531 C541	S447-I529 WeakPolarHBondContact CB-O 3.3Å; S447-I529 PolarHBondContact OG-O 3.36Å; S447-I529 VanDerWaalsContact OG-O 3.1Å; A461-I529 HydrophobicContact CB-CB 4.46Å; A461-I529 HydrophobicContact CB-CD1 4.32Å; A461-I529 HydrophobicContact CB-CG2 3.93Å; V467-I529 HydrophobicContact CG2-CD1 3.39Å; S527-I529 PolarHBondContact O-N 2.77Å; I529-C531 WeakPolarHBondContact CG2-O 3.37Å; I529-C541 HydrophobicContact CG2-CB 3.93Å
530	R	94	Very high	77.4	Confident	70 Å²	70	50.7 Å²	50.7	26%	0.264	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-30	-178.6	-62.5	-65	-170.2	171.1	1.3	113.4	L528 G542 D544 V569 Y584	L528-R530 VanDerWaalsContact CD2-NH2 3.3Å; R530-G542 PolarHBondContact N-O 3.05Å; R530-D544 VanDerWaalsContact CG-OD1 3.29Å; R530-D544 WeakPolarHBondContact CG-OD1 3.32Å; R530-D544 IonicContact CZ-OD1 2.73Å; R530-D544 IonicContact CZ-OD2 2.8Å; R530-D544 VanDerWaalsContact NE-CG 3.34Å; R530-D544 IonicContact NE-OD1 4Å; R530-D544 PolarHBondContact NE-OD1 2.93Å; R530-D544 IonicContact NE-OD2 3.88Å; R530-D544 PolarHBondContact NE-OD2 3.45Å; R530-D544 IonicContact NH2-OD1 3.92Å; R530-D544 IonicContact NH2-OD2 3.84Å; R530-D544 PolarHBondContact NH2-OD2 3.49Å; R530-V569 WeakPolarHBondContact CB-O 3.33Å; R530-Y584 VanDerWaalsContact CZ-OH 3.32Å; R530-Y584 PolarHBondContact NH2-OH 3.48Å
531	C	94.2	Very high	79.3	Confident	15 Å²	15	40.6 Å²	40.6	10%	0.101	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.6	-179.8	64.5	0	0	0	0	111.6	I529 C541 G542 C571 A572	I529-C531 WeakPolarHBondContact CG2-O 3.37Å; C531-C541 WeakPolarHBondContact O-CA 3.15Å; C531-C541 VanDerWaalsContact O-CB 3.3Å; C531-C541 WeakPolarHBondContact O-CB 3.35Å; C531-G542 PolarHBondContact N-O 3.21Å; C531-G542 PolarHBondContact O-N 2.93Å; C531-G542 VanDerWaalsContact O-N 3.1Å; C531-G542 VanDerWaalsContact SG-CA 3.57Å; C531-G542 PolarHBondContact SG-N 3.42Å; C531-C571 WeakPolarHBondContact SG-CA 3.17Å; C531-A572 PolarHBondContact SG-N 2.8Å
532	L	94.3	Very high	81.5	Confident	14 Å²	14	36.4 Å²	36.4	7%	0.073	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	130.5	178.8	-179.8	82.3	0	0	0	107.4	C448 H450 V459 A461 V467 I539 I540 C541	C448-L532 HydrophobicContact CB-CB 3.94Å; C448-L532 WeakPolarHBondContact SG-CB 3.49Å; C448-L532 PolarHBondContact SG-N 3.29Å; C448-L532 VanDerWaalsContact SG-N 3.38Å; H450-L532 HydrophobicContact CB-CD2 3.76Å; H450-L532 HydrophobicContact CB-CG 4.08Å; V459-L532 HydrophobicContact CB-CD2 3.96Å; V459-L532 HydrophobicContact CG1-CD2 3.62Å; A461-L532 HydrophobicContact CB-CB 4.44Å; A461-L532 HydrophobicContact CB-CD2 4.24Å; V467-L532 HydrophobicContact CG1-CD1 4.5Å; L532-I539 HydrophobicContact CD1-CG2 3.62Å; L532-I539 HydrophobicContact CG-CG2 4.4Å; L532-I540 WeakPolarHBondContact CA-O 3.32Å; L532-C541 HydrophobicContact CD1-CB 4.02Å
533	T	94.3	Very high	83.7	Confident	34 Å²	34	29 Å²	29	21%	0.209	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	172.6	175.9	-169.4	0	0	0	0	109.4	I539 I540 A572 I574	T533-I539 CarbonylContact O-C 3.59Å; T533-I539 WeakPolarHBondContact O-CA 3.34Å; T533-I540 HydrophobicContact CG2-CD1 3.75Å; T533-I540 HydrophobicContact CG2-CG1 3.43Å; T533-I540 VanDerWaalsContact CG2-CG1 3.43Å; T533-I540 PolarHBondContact N-O 3.13Å; T533-I540 PolarHBondContact O-N 2.99Å; T533-I540 VanDerWaalsContact O-O 3.12Å; T533-A572 VanDerWaalsContact CG2-O 3.32Å; T533-A572 WeakPolarHBondContact CG2-O 3.5Å; T533-I574 HydrophobicContact CG2-CG2 4.2Å
534	G	92.7	Very high	85.9	Confident	10 Å²	10	23.2 Å²	23.2	10%	0.103	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	164.6	-175.9	0	0	0	0	0	113.1	H450 H538	H450-G534 PolarHBondContact CE1-N 2.72Å; H450-G534 PolarHBondContact CE1-O 3.41Å; H450-G534 PolarHBondContact ND1-N 2.93Å; G534-H538 CarbonylContact C-O 3.54Å; G534-H538 WeakPolarHBondContact CA-O 3.47Å
535	D	89.5	Confident	87.7	Confident	5 Å²	5	20.1 Å²	20.1	3%	0.027	13%	0.129	C	C	.	.			trans	-123.5	-170.1	172.4	75.7	8.5	0	0	0	109.2	P140 W537 H538 I574	P140-D535 VanDerWaalsContact O-CB 3.3Å; P140-D535 WeakPolarHBondContact O-CB 3.38Å; D535-W537 PolarHBondContact O-N 2.74Å; D535-W537 VanDerWaalsContact O-N 3.13Å; D535-W537 WeakPolarHBondContact OD1-CA 3.3Å; D535-W537 PolarHBondContact OD1-N 2.65Å; D535-H538 PolarHBondContact N-O 3.06Å; D535-H538 IonicContact OD1-CG 3.99Å; D535-H538 PolarHBondContact OD1-N 2.94Å; D535-H538 IonicContact OD1-ND1 2.75Å; D535-H538 PolarHBondContact OD1-ND1 2.66Å; D535-H538 IonicContact OD2-ND1 3.83Å; D535-I574 HydrophobicContact CB-CG2 4.1Å
536	A	86.3	Confident	89.8	Confident	17 Å²	17	24 Å²	24	14%	0.14	14%	0.144	C	C	.	.	S	Bend	trans	-67.3	-13.2	-178	0	0	0	0	0	113.6	P140 L142	P140-A536 WeakPolarHBondContact O-CB 3.48Å; P140-A536 PolarHBondContact O-N 3.24Å; L142-A536 HydrophobicContact CD2-CB 3.74Å; L142-A536 HydrophobicContact CG-CB 4.22Å
537	W	88.7	Confident	91.5	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.108	C	C	.	.	S	Bend	trans	-117.1	-28.3	-172.7	-69.9	5.3	0	0	0	113.1	S138 P140 R188 L191 R192 D535 V553	S138-W537 VanDerWaalsContact O-CE2 3.26Å; S138-W537 WeakPolarHBondContact O-CZ2 3.03Å; S138-W537 PolarHBondContact O-NE1 3.05Å; S138-W537 VanDerWaalsContact O-NE1 3.15Å; P140-W537 HydrophobicContact CB-CD2 3.84Å; P140-W537 HydrophobicContact CB-CE3 4.07Å; P140-W537 HydrophobicContact CB-CG 4.12Å; R188-W537 HydrophobicContact CB-CH2 3.78Å; R188-W537 HydrophobicContact CB-CZ2 4.4Å; R188-W537 HydrophobicContact CG-CH2 3.9Å; R188-W537 HydrophobicContact CG-CZ2 4.34Å; L191-W537 HydrophobicContact CB-CZ3 4.49Å; L191-W537 HydrophobicContact CD2-CZ3 3.86Å; L191-W537 HydrophobicContact CG-CZ3 4.49Å; R192-W537 HydrophobicContact CG-CE3 3.76Å; R192-W537 HydrophobicContact CG-CH2 4.09Å; R192-W537 HydrophobicContact CG-CZ3 3.49Å; R192-W537 VanDerWaalsContact CG-CZ3 3.49Å; D535-W537 PolarHBondContact O-N 2.74Å; D535-W537 VanDerWaalsContact O-N 3.13Å; D535-W537 WeakPolarHBondContact OD1-CA 3.3Å; D535-W537 PolarHBondContact OD1-N 2.65Å; W537-V553 PolarHBondContact O-N 3.43Å
538	H	91.3	Very high	92.3	Very high	7 Å²	7	19.6 Å²	19.6	3%	0.032	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.7	-169.7	-45.7	102.3	0	0	0	112	F195 G534 D535 V550 W551 I574	F195-H538 AromaticContact CD2-CE1 3.79Å; F195-H538 AromaticContact CE2-CE1 3.93Å; F195-H538 AromaticContact CG-CE1 3.89Å; F195-H538 AromaticContact CG-NE2 3.74Å; G534-H538 CarbonylContact C-O 3.54Å; G534-H538 WeakPolarHBondContact CA-O 3.47Å; D535-H538 PolarHBondContact N-O 3.06Å; D535-H538 IonicContact OD1-CG 3.99Å; D535-H538 PolarHBondContact OD1-N 2.94Å; D535-H538 IonicContact OD1-ND1 2.75Å; D535-H538 PolarHBondContact OD1-ND1 2.66Å; D535-H538 IonicContact OD2-ND1 3.83Å; H538-V550 HydrophobicContact CB-CG1 4.21Å; H538-W551 CarbonylContact C-O 3.49Å; H538-W551 WeakPolarHBondContact CA-O 3.39Å; H538-I574 HydrophobicContact CB-CD1 3.91Å
539	I	92.6	Very high	92.5	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.4	161.6	-69.5	165.7	0	0	0	106.3	V459 L518 L532 T533 W551 V553	V459-I539 HydrophobicContact CG2-CD1 4.17Å; L518-I539 HydrophobicContact CD1-CD1 4.18Å; L518-I539 HydrophobicContact CD2-CD1 4.19Å; L518-I539 HydrophobicContact CD2-CG2 4.29Å; L532-I539 HydrophobicContact CD1-CG2 3.62Å; L532-I539 HydrophobicContact CG-CG2 4.4Å; T533-I539 CarbonylContact O-C 3.59Å; T533-I539 WeakPolarHBondContact O-CA 3.34Å; I539-W551 HydrophobicContact CG2-CE3 4.41Å; I539-W551 PolarHBondContact N-O 3.16Å; I539-W551 PolarHBondContact O-N 3.37Å; I539-V553 HydrophobicContact CD1-CG2 4.14Å; I539-V553 HydrophobicContact CG1-CG2 3.84Å
540	I	93.3	Very high	92.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.4	176.6	69.9	169	0	0	0	110.8	L532 T533 I548 K549 V550 A572 I574 I579	L532-I540 WeakPolarHBondContact CA-O 3.32Å; T533-I540 HydrophobicContact CG2-CD1 3.75Å; T533-I540 HydrophobicContact CG2-CG1 3.43Å; T533-I540 VanDerWaalsContact CG2-CG1 3.43Å; T533-I540 PolarHBondContact N-O 3.13Å; T533-I540 PolarHBondContact O-N 2.99Å; T533-I540 VanDerWaalsContact O-O 3.12Å; I540-I548 HydrophobicContact CB-CG2 4.22Å; I540-I548 HydrophobicContact CD1-CG2 4.36Å; I540-K549 CarbonylContact C-O 3.54Å; I540-K549 WeakPolarHBondContact CA-O 3.39Å; I540-V550 HydrophobicContact CG2-CB 4.22Å; I540-V550 HydrophobicContact CG2-CG1 4.01Å; I540-V550 HydrophobicContact CG2-CG2 3.84Å; I540-A572 HydrophobicContact CD1-CB 3.91Å; I540-I574 HydrophobicContact CD1-CB 4Å; I540-I574 HydrophobicContact CD1-CG2 4.49Å; I540-I574 HydrophobicContact CG2-CD1 4.21Å; I540-I579 HydrophobicContact CD1-CD1 4.34Å; I540-I579 HydrophobicContact CD1-CG1 4.26Å; I540-I579 HydrophobicContact CD1-CG2 3.87Å; I540-I579 HydrophobicContact CG2-CD1 4.05Å
541	C	93.3	Very high	92.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144	168.4	82	0	0	0	0	111.3	I529 C531 L532 I548 K549 W551	I529-C541 HydrophobicContact CG2-CB 3.93Å; C531-C541 WeakPolarHBondContact O-CA 3.15Å; C531-C541 VanDerWaalsContact O-CB 3.3Å; C531-C541 WeakPolarHBondContact O-CB 3.35Å; L532-C541 HydrophobicContact CD1-CB 4.02Å; C541-I548 CarbonylContact O-C 3.55Å; C541-I548 VanDerWaalsContact O-CA 3.26Å; C541-I548 WeakPolarHBondContact O-CA 3.42Å; C541-K549 PolarHBondContact N-O 3.47Å; C541-K549 PolarHBondContact O-N 3.17Å; C541-W551 HydrophobicContact CB-CH2 4.23Å; C541-W551 HydrophobicContact CB-CZ3 3.84Å; C541-W551 WeakPolarHBondContact SG-CH2 3.34Å; C541-W551 WeakPolarHBondContact SG-CZ3 3.27Å
542	G	94.4	Very high	92	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.2	167.4	0	0	0	0	0	110.4	R530 C531 V569	R530-G542 PolarHBondContact N-O 3.05Å; C531-G542 PolarHBondContact N-O 3.21Å; C531-G542 PolarHBondContact O-N 2.93Å; C531-G542 VanDerWaalsContact O-N 3.1Å; C531-G542 VanDerWaalsContact SG-CA 3.57Å; C531-G542 PolarHBondContact SG-N 3.42Å; G542-V569 CarbonylContact C-O 3.49Å
543	S	93.6	Very high	91.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	165.2	-176.4	37.4	0	0	0	0	113.2	L528 D545 K546 S547 V569	L528-S543 VanDerWaalsContact O-CA 3.24Å; L528-S543 WeakPolarHBondContact O-CA 3.1Å; L528-S543 WeakPolarHBondContact O-CB 3.18Å; S543-D545 WeakPolarHBondContact CB-OD1 3.46Å; S543-D545 PolarHBondContact O-N 3.12Å; S543-D545 PolarHBondContact OG-OD1 3.03Å; S543-K546 PolarHBondContact O-N 2.85Å; S543-S547 PolarHBondContact N-O 2.8Å; S543-S547 PolarHBondContact OG-O 3.47Å; S543-V569 PolarHBondContact O-N 3.34Å
544	D	93	Very high	91	Very high	49 Å²	49	18.5 Å²	18.5	26%	0.262	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.5	177.2	-77.2	0.4	0	0	0	113.4	L528 R530 K546	L528-D544 HydrophobicContact CB-CB 4.31Å; L528-D544 WeakPolarHBondContact CD2-OD2 3.34Å; L528-D544 PolarHBondContact O-N 3.01Å; R530-D544 VanDerWaalsContact CG-OD1 3.29Å; R530-D544 WeakPolarHBondContact CG-OD1 3.32Å; R530-D544 IonicContact CZ-OD1 2.73Å; R530-D544 IonicContact CZ-OD2 2.8Å; R530-D544 VanDerWaalsContact NE-CG 3.34Å; R530-D544 IonicContact NE-OD1 4Å; R530-D544 PolarHBondContact NE-OD1 2.93Å; R530-D544 IonicContact NE-OD2 3.88Å; R530-D544 PolarHBondContact NE-OD2 3.45Å; R530-D544 IonicContact NH2-OD1 3.92Å; R530-D544 IonicContact NH2-OD2 3.84Å; R530-D544 PolarHBondContact NH2-OD2 3.49Å; D544-K546 PolarHBondContact O-N 2.74Å; D544-K546 VanDerWaalsContact O-N 3.1Å
545	D	91.7	Very high	90.4	Very high	51 Å²	51	21.2 Å²	21.2	27%	0.273	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	14.2	171	73.7	-7.5	0	0	0	113.2	S527 S543 S547 K549	S527-D545 PolarHBondContact OG-N 2.69Å; S543-D545 WeakPolarHBondContact CB-OD1 3.46Å; S543-D545 PolarHBondContact O-N 3.12Å; S543-D545 PolarHBondContact OG-OD1 3.03Å; D545-S547 PolarHBondContact O-N 3.49Å; D545-S547 VanDerWaalsContact O-N 3.16Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 2.93Å; D545-S547 PolarHBondContact OD1-N 2.78Å; D545-S547 PolarHBondContact OD1-OG 2.85Å; D545-S547 PolarHBondContact OD2-OG 2.81Å; D545-K549 IonicContact OD2-NZ 3.51Å; D545-K549 PolarHBondContact OD2-NZ 3.21Å
546	K	94.5	Very high	90.1	Very high	97 Å²	97	22.9 Å²	22.9	42%	0.422	13%	0.127	S	C	.	.	S	Bend	trans	66.6	9.8	178.7	-39.4	178.5	-179.9	-163.6	0	113.8	S543 D544 E566	S543-K546 PolarHBondContact O-N 2.85Å; D544-K546 PolarHBondContact O-N 2.74Å; D544-K546 VanDerWaalsContact O-N 3.1Å; K546-E566 WeakPolarHBondContact CD-O 3.33Å; K546-E566 VanDerWaalsContact CE-O 3.27Å; K546-E566 WeakPolarHBondContact CE-O 3.32Å; K546-E566 PolarHBondContact NZ-O 3.11Å
547	S	92.9	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.			trans	-106.4	151.2	-175.9	80	0	0	0	0	113.7	S543 D545 K549 S561 L562	S543-S547 PolarHBondContact N-O 2.8Å; S543-S547 PolarHBondContact OG-O 3.47Å; D545-S547 PolarHBondContact O-N 3.49Å; D545-S547 VanDerWaalsContact O-N 3.16Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 2.93Å; D545-S547 PolarHBondContact OD1-N 2.78Å; D545-S547 PolarHBondContact OD1-OG 2.85Å; D545-S547 PolarHBondContact OD2-OG 2.81Å; S547-K549 PolarHBondContact OG-NZ 2.93Å; S547-S561 WeakPolarHBondContact CB-OG 3.49Å; S547-L562 CarbonylContact C-O 3.58Å; S547-L562 VanDerWaalsContact CA-O 3.25Å; S547-L562 WeakPolarHBondContact CA-O 3.46Å
548	I	93.9	Very high	90	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.3	164	-54.2	169.8	0	0	0	107.3	I540 C541 S561 L562 V569 I579 S581 Y591	I540-I548 HydrophobicContact CB-CG2 4.22Å; I540-I548 HydrophobicContact CD1-CG2 4.36Å; C541-I548 CarbonylContact O-C 3.55Å; C541-I548 VanDerWaalsContact O-CA 3.26Å; C541-I548 WeakPolarHBondContact O-CA 3.42Å; I548-S561 CarbonylContact O-C 3.55Å; I548-S561 WeakPolarHBondContact O-CA 3.1Å; I548-L562 HydrophobicContact CB-CB 4.2Å; I548-L562 HydrophobicContact CB-CD1 4.41Å; I548-L562 PolarHBondContact N-O 3.46Å; I548-L562 PolarHBondContact O-N 2.87Å; I548-V569 HydrophobicContact CD1-CG1 4.37Å; I548-V569 HydrophobicContact CG1-CB 4.44Å; I548-V569 HydrophobicContact CG1-CG1 4Å; I548-V569 HydrophobicContact CG1-CG2 4.06Å; I548-I579 HydrophobicContact CD1-CG2 4.25Å; I548-S581 VanDerWaalsContact CD1-CB 3.5Å; I548-Y591 HydrophobicContact CD1-CD2 4.49Å; I548-Y591 HydrophobicContact CD1-CE2 3.64Å
549	K	92	Very high	89.8	Confident	18 Å²	18	34 Å²	34	8%	0.078	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.6	177.8	-59.2	-173	-155.2	-57.7	0	109.5	S525 I540 C541 D545 S547 W551 F558	S525-K549 WeakPolarHBondContact OG-CE 3.33Å; I540-K549 CarbonylContact C-O 3.54Å; I540-K549 WeakPolarHBondContact CA-O 3.39Å; C541-K549 PolarHBondContact N-O 3.47Å; C541-K549 PolarHBondContact O-N 3.17Å; D545-K549 IonicContact OD2-NZ 3.51Å; D545-K549 PolarHBondContact OD2-NZ 3.21Å; S547-K549 PolarHBondContact OG-NZ 2.93Å; K549-W551 HydrophobicContact CB-CE3 4.44Å; K549-W551 HydrophobicContact CB-CH2 3.47Å; K549-W551 VanDerWaalsContact CB-CH2 3.47Å; K549-W551 HydrophobicContact CB-CZ2 3.85Å; K549-W551 HydrophobicContact CB-CZ3 3.79Å; K549-W551 HydrophobicContact CD-CH2 4.18Å; K549-W551 HydrophobicContact CD-CZ2 4.16Å; K549-W551 HydrophobicContact CG-CH2 4.42Å; K549-F558 HydrophobicContact CB-CE2 4.14Å; K549-F558 HydrophobicContact CG-CE2 4.31Å
550	V	91.9	Very high	89.6	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.2	-177	-175.7	0	0	0	0	108.7	F195 H538 I540 V559 N560 I579	F195-V550 HydrophobicContact CD1-CG1 4.49Å; H538-V550 HydrophobicContact CB-CG1 4.21Å; I540-V550 HydrophobicContact CG2-CB 4.22Å; I540-V550 HydrophobicContact CG2-CG1 4.01Å; I540-V550 HydrophobicContact CG2-CG2 3.84Å; V550-V559 HydrophobicContact CB-CB 4.41Å; V550-V559 HydrophobicContact CG1-CB 4.2Å; V550-V559 WeakPolarHBondContact O-CB 3.48Å; V550-V559 PolarHBondContact O-N 3.5Å; V550-N560 PolarHBondContact N-O 2.97Å; V550-N560 PolarHBondContact O-N 2.85Å; V550-I579 HydrophobicContact CG2-CD1 4.07Å
551	W	90	Very high	89.5	Confident	15 Å²	15	37.3 Å²	37.3	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148	173.8	-63.3	-91.7	0	0	0	110.7	H538 I539 C541 K549 K557 F558	H538-W551 CarbonylContact C-O 3.49Å; H538-W551 WeakPolarHBondContact CA-O 3.39Å; I539-W551 HydrophobicContact CG2-CE3 4.41Å; I539-W551 PolarHBondContact N-O 3.16Å; I539-W551 PolarHBondContact O-N 3.37Å; C541-W551 HydrophobicContact CB-CH2 4.23Å; C541-W551 HydrophobicContact CB-CZ3 3.84Å; C541-W551 WeakPolarHBondContact SG-CH2 3.34Å; C541-W551 WeakPolarHBondContact SG-CZ3 3.27Å; K549-W551 HydrophobicContact CB-CE3 4.44Å; K549-W551 HydrophobicContact CB-CH2 3.47Å; K549-W551 VanDerWaalsContact CB-CH2 3.47Å; K549-W551 HydrophobicContact CB-CZ2 3.85Å; K549-W551 HydrophobicContact CB-CZ3 3.79Å; K549-W551 HydrophobicContact CD-CH2 4.18Å; K549-W551 HydrophobicContact CD-CZ2 4.16Å; K549-W551 HydrophobicContact CG-CH2 4.42Å; W551-K557 CarbonylContact C-O 3.53Å; W551-K557 VanDerWaalsContact CA-O 3.3Å; W551-K557 WeakPolarHBondContact CA-O 3.23Å; W551-F558 AromaticContact NE1-CD2 3.95Å
552	Q	88.6	Confident	89.5	Confident	58 Å²	58	37.5 Å²	37.5	27%	0.271	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.9	174.7	-173.1	-178.1	-32.6	0	0	110	N556 K557 V559	Q552-N556 WeakPolarHBondContact O-CA 3.28Å; Q552-N556 PolarHBondContact O-N 2.87Å; Q552-K557 PolarHBondContact N-O 2.86Å; Q552-V559 HydrophobicContact CB-CG2 3.58Å
553	V	86.3	Confident	89.4	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	138.4	174.7	-179.8	0	0	0	0	110.5	S454 Q455 W537 I539	S454-V553 WeakPolarHBondContact OG-CG1 3.49Å; Q455-V553 HydrophobicContact CG-CG1 3.57Å; W537-V553 PolarHBondContact O-N 3.43Å; I539-V553 HydrophobicContact CD1-CG2 4.14Å; I539-V553 HydrophobicContact CG1-CG2 3.84Å
554	G	80.1	Confident	89.5	Confident	45 Å²	45	47.1 Å²	47.1	46%	0.464	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-60	-178.7	0	0	0	0	0	112.6
555	D	80.9	Confident	89.7	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-3.1	174.8	65.1	-7.4	0	0	0	113.8	K557	D555-K557 HydrophobicContact CB-CD 4.5Å; D555-K557 HydrophobicContact CB-CG 4.16Å; D555-K557 PolarHBondContact O-N 3.24Å; D555-K557 VanDerWaalsContact O-N 3.1Å; D555-K557 PolarHBondContact OD1-N 3.34Å; D555-K557 WeakPolarHBondContact OD2-CD 3.26Å; D555-K557 VanDerWaalsContact OD2-CE 3.27Å; D555-K557 WeakPolarHBondContact OD2-CE 3.43Å; D555-K557 WeakPolarHBondContact OD2-CG 3.4Å; D555-K557 IonicContact OD2-NZ 3.34Å
556	N	82.5	Confident	89.9	Confident	39 Å²	39	49.8 Å²	49.8	21%	0.209	25%	0.25	C	S	.	.			trans	49.7	31.2	-178.3	-54.1	-35.9	0	0	0	113.1	R457 L518 Q552	R457-N556 PolarHBondContact NH1-ND2 2.95Å; R457-N556 VanDerWaalsContact NH1-ND2 3.15Å; R457-N556 PolarHBondContact NH1-OD1 2.88Å; R457-N556 VanDerWaalsContact NH1-OD1 3.12Å; R457-N556 PolarHBondContact NH2-OD1 2.8Å; L518-N556 WeakPolarHBondContact O-CB 3.46Å; L518-N556 VanDerWaalsContact O-CG 3.29Å; L518-N556 PolarHBondContact O-ND2 3.46Å; L518-N556 VanDerWaalsContact O-ND2 3.09Å; Q552-N556 WeakPolarHBondContact O-CA 3.28Å; Q552-N556 PolarHBondContact O-N 2.87Å
557	K	85.4	Confident	90	Very high	131 Å²	131	48.7 Å²	48.7	57%	0.57	25%	0.249	S	C	*	.			trans	-78.7	138.9	179	-72.5	-172	-169.5	169	0	110.4	W551 Q552 D555 V559	W551-K557 CarbonylContact C-O 3.53Å; W551-K557 VanDerWaalsContact CA-O 3.3Å; W551-K557 WeakPolarHBondContact CA-O 3.23Å; Q552-K557 PolarHBondContact N-O 2.86Å; D555-K557 HydrophobicContact CB-CD 4.5Å; D555-K557 HydrophobicContact CB-CG 4.16Å; D555-K557 PolarHBondContact O-N 3.24Å; D555-K557 VanDerWaalsContact O-N 3.1Å; D555-K557 PolarHBondContact OD1-N 3.34Å; D555-K557 WeakPolarHBondContact OD2-CD 3.26Å; D555-K557 VanDerWaalsContact OD2-CE 3.27Å; D555-K557 WeakPolarHBondContact OD2-CE 3.43Å; D555-K557 WeakPolarHBondContact OD2-CG 3.4Å; D555-K557 IonicContact OD2-NZ 3.34Å; K557-V559 PolarHBondContact O-N 3.48Å
558	F	86.9	Confident	90.1	Very high	102 Å²	102	48.7 Å²	48.7	45%	0.447	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	128.2	167.7	178.3	-99.2	0	0	0	109.5	K549 W551 N560	K549-F558 HydrophobicContact CB-CE2 4.14Å; K549-F558 HydrophobicContact CG-CE2 4.31Å; W551-F558 AromaticContact NE1-CD2 3.95Å; F558-N560 VanDerWaalsContact CE2-O 3.24Å; F558-N560 WeakPolarHBondContact CE2-O 3.27Å; F558-N560 WeakPolarHBondContact CZ-O 3.41Å
559	V	86.9	Confident	90.3	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-52.7	-177.9	179.8	0	0	0	0	109.6	R196 V550 Q552 K557	R196-V559 HydrophobicContact CB-CG1 4.41Å; V550-V559 HydrophobicContact CB-CB 4.41Å; V550-V559 HydrophobicContact CG1-CB 4.2Å; V550-V559 WeakPolarHBondContact O-CB 3.48Å; V550-V559 PolarHBondContact O-N 3.5Å; Q552-V559 HydrophobicContact CB-CG2 3.58Å; K557-V559 PolarHBondContact O-N 3.48Å
560	N	88.4	Confident	90.5	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	164.8	-172.8	-156.1	-1.5	0	0	0	112.9	G198 V550 F558	G198-N560 WeakPolarHBondContact CA-ND2 3.28Å; G198-N560 PolarHBondContact N-ND2 2.8Å; V550-N560 PolarHBondContact N-O 2.97Å; V550-N560 PolarHBondContact O-N 2.85Å; F558-N560 VanDerWaalsContact CE2-O 3.24Å; F558-N560 WeakPolarHBondContact CE2-O 3.27Å; F558-N560 WeakPolarHBondContact CZ-O 3.41Å
561	S	91.4	Very high	90.8	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	120.8	171.4	171.1	0	0	0	0	109.6	S547 I548	S547-S561 WeakPolarHBondContact CB-OG 3.49Å; I548-S561 CarbonylContact O-C 3.55Å; I548-S561 WeakPolarHBondContact O-CA 3.1Å
562	L	93.7	Very high	91.1	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.7	177.6	-48.2	171.9	0	0	0	109.1	S547 I548 I579 Y591 F593	S547-L562 CarbonylContact C-O 3.58Å; S547-L562 VanDerWaalsContact CA-O 3.25Å; S547-L562 WeakPolarHBondContact CA-O 3.46Å; I548-L562 HydrophobicContact CB-CB 4.2Å; I548-L562 HydrophobicContact CB-CD1 4.41Å; I548-L562 PolarHBondContact N-O 3.46Å; I548-L562 PolarHBondContact O-N 2.87Å; L562-I579 HydrophobicContact CD1-CD1 4.03Å; L562-Y591 HydrophobicContact CB-CD1 4.43Å; L562-Y591 HydrophobicContact CB-CE1 3.92Å; L562-Y591 HydrophobicContact CD1-CD1 3.77Å; L562-Y591 HydrophobicContact CD1-CD2 4.38Å; L562-Y591 HydrophobicContact CD1-CE1 4Å; L562-Y591 HydrophobicContact CD1-CG 3.98Å; L562-Y591 HydrophobicContact CG-CD1 4.49Å; L562-Y591 HydrophobicContact CG-CE1 4.45Å; L562-F593 HydrophobicContact CD1-CE2 4.48Å; L562-F593 HydrophobicContact CD1-CZ 4.05Å; L562-F593 HydrophobicContact CD2-CZ 4.13Å
563	Q	93.1	Very high	91.5	Very high	131 Å²	131	46.6 Å²	46.6	61%	0.612	24%	0.244	S	C	*	.			trans	-133.8	61.3	-174.6	-71.6	-177.2	-17.6	0	0	111.1
564	E	94.8	Very high	91.8	Very high	72 Å²	72	46.9 Å²	46.9	34%	0.336	25%	0.245	S	C	.	.			trans	-104.2	-12.2	-176.7	-61	-63.5	149.6	0	0	113.9	I202 K204 I589 Y591	I202-E564 HydrophobicContact CD1-CB 4.42Å; I202-E564 HydrophobicContact CD1-CG 3.5Å; I202-E564 WeakPolarHBondContact CD1-OE2 3.33Å; I202-E564 HydrophobicContact CG1-CG 4.43Å; K204-E564 PolarHBondContact NZ-O 3.37Å; K204-E564 VanDerWaalsContact NZ-O 3.09Å; E564-I589 HydrophobicContact CB-CD1 4.02Å; E564-Y591 HydrophobicContact CB-CE1 3.91Å; E564-Y591 HydrophobicContact CG-CD1 4.49Å; E564-Y591 HydrophobicContact CG-CE1 3.55Å
565	H	96.7	Very high	92	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	24%	0.24	C	C	.	.			trans	-83.8	147.2	176.4	-84.1	-66.9	0	0	0	110.7	D567 V569 S581 S583 D585 T587 I589	H565-D567 WeakPolarHBondContact CB-O 3.26Å; H565-V569 HydrophobicContact CB-CG2 4.14Å; H565-S581 PolarHBondContact CD2-OG 3.3Å; H565-S581 PolarHBondContact NE2-OG 2.88Å; H565-S583 WeakPolarHBondContact CE1-CB 3.38Å; H565-S583 WeakPolarHBondContact ND1-CB 3.24Å; H565-D585 WeakPolarHBondContact CA-OD2 3.5Å; H565-D585 IonicContact CE1-OD1 3.29Å; H565-D585 IonicContact CE1-OD2 3.8Å; H565-D585 IonicContact CG-OD2 3.34Å; H565-D585 IonicContact ND1-OD1 3.55Å; H565-D585 PolarHBondContact ND1-OD1 3.14Å; H565-D585 IonicContact ND1-OD2 3.37Å; H565-D585 PolarHBondContact ND1-OD2 2.75Å; H565-T587 PolarHBondContact CE1-OG1 3.01Å; H565-T587 PolarHBondContact ND1-OG1 3.3Å; H565-I589 VanDerWaalsContact CE1-CG1 3.48Å; H565-I589 WeakPolarHBondContact CE1-CG1 3.4Å
566	E	96.5	Very high	92.1	Very high	147 Å²	147	44.3 Å²	44.3	69%	0.687	23%	0.227	S	C	*	.	S	Bend	trans	-88.7	-12.6	-179.1	-67.3	176.2	-169.2	0	0	112.3	K546 D585	K546-E566 WeakPolarHBondContact CD-O 3.33Å; K546-E566 VanDerWaalsContact CE-O 3.27Å; K546-E566 WeakPolarHBondContact CE-O 3.32Å; K546-E566 PolarHBondContact NZ-O 3.11Å; E566-D585 HydrophobicContact CB-CB 4.2Å; E566-D585 PolarHBondContact N-OD2 3.48Å
567	D	96.5	Very high	92.3	Very high	73 Å²	73	43.5 Å²	43.5	39%	0.39	22%	0.224	S	C	.	.	S	Bend	trans	-144.1	174.9	179.7	-154.1	-12.8	0	0	0	111	H565 S583 Y584 D585	H565-D567 WeakPolarHBondContact CB-O 3.26Å; D567-S583 VanDerWaalsContact C-OG 3.29Å; D567-S583 PolarHBondContact O-OG 3.25Å; D567-Y584 WeakPolarHBondContact OD2-CB 3.42Å; D567-D585 HydrophobicContact CB-CB 3.95Å
568	G	95.9	Very high	92.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.202	C	C	.	.			trans	-53.8	136.1	-174	0	0	0	0	0	114.3	T570 S583 Y584	G568-T570 PolarHBondContact O-N 2.9Å; G568-S583 WeakPolarHBondContact O-CA 3.5Å; G568-S583 WeakPolarHBondContact O-CB 3.48Å; G568-S583 PolarHBondContact O-OG 3.06Å; G568-Y584 WeakPolarHBondContact O-CD2 3.46Å; G568-Y584 PolarHBondContact O-N 3.33Å; G568-Y584 VanDerWaalsContact O-N 3.09Å
569	V	97.4	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	114.2	-179.3	-175.2	0	0	0	0	109.6	R530 G542 S543 I548 H565	R530-V569 WeakPolarHBondContact CB-O 3.33Å; G542-V569 CarbonylContact C-O 3.49Å; S543-V569 PolarHBondContact O-N 3.34Å; I548-V569 HydrophobicContact CD1-CG1 4.37Å; I548-V569 HydrophobicContact CG1-CB 4.44Å; I548-V569 HydrophobicContact CG1-CG1 4Å; I548-V569 HydrophobicContact CG1-CG2 4.06Å; H565-V569 HydrophobicContact CB-CG2 4.14Å
570	T	97	Very high	93.6	Very high	8 Å²	8	32 Å²	32	5%	0.049	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-31.6	-171.7	57.3	0	0	0	0	113.1	V212 Y213 G568 G582 Y584	V212-T570 WeakPolarHBondContact O-CB 3.39Å; V212-T570 PolarHBondContact O-OG1 2.86Å; Y213-T570 HydrophobicContact CD1-CG2 4.42Å; G568-T570 PolarHBondContact O-N 2.9Å; T570-G582 PolarHBondContact N-O 3.11Å; T570-G582 PolarHBondContact OG1-O 3.11Å; T570-Y584 HydrophobicContact CG2-CD1 4.03Å; T570-Y584 HydrophobicContact CG2-CD2 3.59Å; T570-Y584 HydrophobicContact CG2-CE1 3.93Å; T570-Y584 HydrophobicContact CG2-CE2 3.45Å; T570-Y584 VanDerWaalsContact CG2-CE2 3.45Å; T570-Y584 HydrophobicContact CG2-CG 3.87Å
571	C	97.3	Very high	94.1	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146	-175.7	58.1	0	0	0	0	110.6	C214 I215 C531 S581 G582	C214-C571 VanDerWaalsContact CA-SG 3.59Å; I215-C571 HydrophobicContact CG2-CB 4.1Å; C531-C571 WeakPolarHBondContact SG-CA 3.17Å; C571-S581 CarbonylContact O-C 3.59Å; C571-S581 VanDerWaalsContact O-CA 3.25Å; C571-S581 WeakPolarHBondContact O-CA 3.2Å; C571-G582 PolarHBondContact N-O 3.34Å; C571-G582 PolarHBondContact O-N 3.02Å
572	A	97.3	Very high	94.4	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.4	176.2	0	0	0	0	0	110.3	C531 T533 I540 I580	C531-A572 PolarHBondContact SG-N 2.8Å; T533-A572 VanDerWaalsContact CG2-O 3.32Å; T533-A572 WeakPolarHBondContact CG2-O 3.5Å; I540-A572 HydrophobicContact CD1-CB 3.91Å; A572-I580 CarbonylContact C-O 3.57Å; A572-I580 WeakPolarHBondContact CA-O 3.46Å
573	V	95.7	Very high	94.6	Very high	21 Å²	21	28.5 Å²	28.5	13%	0.127	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.3	172.5	-67.4	0	0	0	0	109.3	I215 I579 I580	I215-V573 HydrophobicContact CG2-CG1 4.06Å; I215-V573 HydrophobicContact CG2-CG2 4.1Å; V573-I579 WeakPolarHBondContact O-CA 3.31Å; V573-I580 HydrophobicContact CG2-CB 3.84Å; V573-I580 HydrophobicContact CG2-CG1 4.34Å; V573-I580 PolarHBondContact N-O 3.48Å; V573-I580 PolarHBondContact O-N 2.91Å
574	I	93	Very high	94.9	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.097	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.1	173	-173.1	167.6	0	0	0	108.9	F195 T533 D535 H538 I540 V578 I579	F195-I574 HydrophobicContact CE1-CD1 4.35Å; F195-I574 HydrophobicContact CZ-CD1 4.41Å; T533-I574 HydrophobicContact CG2-CG2 4.2Å; D535-I574 HydrophobicContact CB-CG2 4.1Å; H538-I574 HydrophobicContact CB-CD1 3.91Å; I540-I574 HydrophobicContact CD1-CB 4Å; I540-I574 HydrophobicContact CD1-CG2 4.49Å; I540-I574 HydrophobicContact CG2-CD1 4.21Å; I574-V578 WeakPolarHBondContact CA-O 3.19Å; I574-I579 HydrophobicContact CB-CG1 4.35Å; I574-I579 HydrophobicContact CD1-CD1 4.44Å; I574-I579 HydrophobicContact CD1-CG1 4.11Å; I574-I579 HydrophobicContact CG1-CG1 4.03Å
575	S	85.5	Confident	95	Very high	51 Å²	51	23.3 Å²	23.3	36%	0.357	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	97.5	178	-173.2	0	0	0	0	109.7	S577 V578	S575-S577 PolarHBondContact O-N 2.91Å; S575-V578 PolarHBondContact N-O 2.83Å; S575-V578 PolarHBondContact O-N 2.95Å; S575-V578 VanDerWaalsContact O-N 3.14Å
576	G	81.4	Confident	95.1	Very high	8 Å²	8	27.8 Å²	27.8	8%	0.082	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-100.9	177.5	0	0	0	0	0	113.2
577	S	88.5	Confident	95.1	Very high	22 Å²	22	21.6 Å²	21.6	15%	0.154	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1	-178.9	62.4	0	0	0	0	114.3	S575 F593	S575-S577 PolarHBondContact O-N 2.91Å; S577-F593 WeakPolarHBondContact O-CB 3.48Å; S577-F593 PolarHBondContact O-N 3.19Å
578	V	92.8	Very high	95.2	Very high	17 Å²	17	18.2 Å²	18.2	10%	0.103	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	-168.2	-175.3	0	0	0	0	110.8	I574 S575 I580 L590 Y591	I574-V578 WeakPolarHBondContact CA-O 3.19Å; S575-V578 PolarHBondContact N-O 2.83Å; S575-V578 PolarHBondContact O-N 2.95Å; S575-V578 VanDerWaalsContact O-N 3.14Å; V578-I580 HydrophobicContact CG1-CD1 4.27Å; V578-I580 HydrophobicContact CG1-CG1 3.72Å; V578-L590 HydrophobicContact CG1-CD1 3.81Å; V578-L590 HydrophobicContact CG1-CD2 3.69Å; V578-L590 HydrophobicContact CG1-CG 3.41Å; V578-L590 VanDerWaalsContact CG1-CG 3.41Å; V578-Y591 VanDerWaalsContact CA-O 3.3Å; V578-Y591 WeakPolarHBondContact CA-O 3.26Å
579	I	96.4	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.5	162.1	-65.8	175	0	0	0	107.5	F195 I540 I548 V550 L562 V573 I574 L590 Y591 F593	F195-I579 HydrophobicContact CE1-CD1 3.95Å; F195-I579 HydrophobicContact CE1-CG1 4.33Å; I540-I579 HydrophobicContact CD1-CD1 4.34Å; I540-I579 HydrophobicContact CD1-CG1 4.26Å; I540-I579 HydrophobicContact CD1-CG2 3.87Å; I540-I579 HydrophobicContact CG2-CD1 4.05Å; I548-I579 HydrophobicContact CD1-CG2 4.25Å; V550-I579 HydrophobicContact CG2-CD1 4.07Å; L562-I579 HydrophobicContact CD1-CD1 4.03Å; V573-I579 WeakPolarHBondContact O-CA 3.31Å; I574-I579 HydrophobicContact CB-CG1 4.35Å; I574-I579 HydrophobicContact CD1-CD1 4.44Å; I574-I579 HydrophobicContact CD1-CG1 4.11Å; I574-I579 HydrophobicContact CG1-CG1 4.03Å; I579-L590 WeakPolarHBondContact O-CA 3.42Å; I579-Y591 HydrophobicContact CB-CD2 4.14Å; I579-Y591 HydrophobicContact CG2-CD2 3.99Å; I579-Y591 PolarHBondContact N-O 3.34Å; I579-Y591 WeakPolarHBondContact O-CD2 3.18Å; I579-Y591 PolarHBondContact O-N 3.24Å; I579-F593 HydrophobicContact CB-CE2 4.46Å; I579-F593 HydrophobicContact CD1-CE2 3.9Å; I579-F593 HydrophobicContact CD1-CZ 4.37Å; I579-F593 HydrophobicContact CG1-CE2 4.13Å
580	I	97.3	Very high	95.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.1	173.9	-43.3	-178	0	0	0	108.2	I215 C217 I222 I236 A572 V573 V578 V588 I589 L590	I215-I580 HydrophobicContact CD1-CB 4.34Å; I215-I580 HydrophobicContact CD1-CG2 3.44Å; I215-I580 VanDerWaalsContact CD1-CG2 3.44Å; I215-I580 HydrophobicContact CG1-CG2 4.35Å; C217-I580 HydrophobicContact CB-CD1 3.76Å; I222-I580 HydrophobicContact CD1-CD1 3.85Å; I222-I580 HydrophobicContact CD1-CG2 4.13Å; I222-I580 HydrophobicContact CG1-CD1 3.76Å; I222-I580 HydrophobicContact CG2-CD1 4.45Å; I222-I580 HydrophobicContact CG2-CG2 4Å; I236-I580 HydrophobicContact CD1-CD1 4.31Å; A572-I580 CarbonylContact C-O 3.57Å; A572-I580 WeakPolarHBondContact CA-O 3.46Å; V573-I580 HydrophobicContact CG2-CB 3.84Å; V573-I580 HydrophobicContact CG2-CG1 4.34Å; V573-I580 PolarHBondContact N-O 3.48Å; V573-I580 PolarHBondContact O-N 2.91Å; V578-I580 HydrophobicContact CG1-CD1 4.27Å; V578-I580 HydrophobicContact CG1-CG1 3.72Å; I580-V588 HydrophobicContact CG2-CG1 3.76Å; I580-I589 CarbonylContact C-O 3.46Å; I580-I589 VanDerWaalsContact CA-O 3.27Å; I580-I589 WeakPolarHBondContact CA-O 3.23Å; I580-I589 WeakPolarHBondContact CG2-O 3.4Å; I580-L590 HydrophobicContact CD1-CD1 4.1Å; I580-L590 HydrophobicContact CG1-CD1 4.28Å; I580-L590 HydrophobicContact CG1-CG 4.2Å
581	S	98.2	Very high	95.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	155.3	-178.5	57.3	0	0	0	0	112.7	I548 H565 C571 V588 I589 Y591	I548-S581 VanDerWaalsContact CD1-CB 3.5Å; H565-S581 PolarHBondContact CD2-OG 3.3Å; H565-S581 PolarHBondContact NE2-OG 2.88Å; C571-S581 CarbonylContact O-C 3.59Å; C571-S581 VanDerWaalsContact O-CA 3.25Å; C571-S581 WeakPolarHBondContact O-CA 3.2Å; S581-V588 CarbonylContact O-C 3.59Å; S581-V588 VanDerWaalsContact O-CA 3.24Å; S581-V588 WeakPolarHBondContact O-CA 3.42Å; S581-I589 PolarHBondContact N-O 3.47Å; S581-I589 PolarHBondContact O-N 2.97Å; S581-Y591 WeakPolarHBondContact OG-CE2 3.4Å
582	G	98.1	Very high	95	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.1	166.5	0	0	0	0	0	110.7	T570 C571	T570-G582 PolarHBondContact N-O 3.11Å; T570-G582 PolarHBondContact OG1-O 3.11Å; C571-G582 PolarHBondContact N-O 3.34Å; C571-G582 PolarHBondContact O-N 3.02Å
583	S	98.3	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.6	-174.3	167	0	0	0	0	112.4	V212 H565 D567 G568 D585 K586 T587	V212-S583 PolarHBondContact N-O 3.07Å; H565-S583 WeakPolarHBondContact CE1-CB 3.38Å; H565-S583 WeakPolarHBondContact ND1-CB 3.24Å; D567-S583 VanDerWaalsContact C-OG 3.29Å; D567-S583 PolarHBondContact O-OG 3.25Å; G568-S583 WeakPolarHBondContact O-CA 3.5Å; G568-S583 WeakPolarHBondContact O-CB 3.48Å; G568-S583 PolarHBondContact O-OG 3.06Å; S583-D585 WeakPolarHBondContact CB-OD1 3.33Å; S583-D585 PolarHBondContact O-N 3.14Å; S583-D585 PolarHBondContact OG-N 2.96Å; S583-D585 VanDerWaalsContact OG-N 3.1Å; S583-D585 PolarHBondContact OG-OD1 3.01Å; S583-K586 PolarHBondContact O-N 2.76Å; S583-T587 PolarHBondContact N-O 3.45Å
584	Y	98.2	Very high	94.5	Very high	66 Å²	66	19.1 Å²	19.1	26%	0.259	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.7	165.7	-70.7	-67.2	0	0	0	113.3	A211 Y213 R530 D567 G568 T570 K586	A211-Y584 HydrophobicContact CB-CD1 3.61Å; A211-Y584 HydrophobicContact CB-CE1 4.33Å; A211-Y584 HydrophobicContact CB-CG 4.45Å; Y213-Y584 HydrophobicContact CE1-CD1 4.38Å; Y213-Y584 AromaticContact CE1-CE1 3.79Å; Y213-Y584 HydrophobicContact CE1-CE1 3.79Å; R530-Y584 VanDerWaalsContact CZ-OH 3.32Å; R530-Y584 PolarHBondContact NH2-OH 3.48Å; D567-Y584 WeakPolarHBondContact OD2-CB 3.42Å; G568-Y584 WeakPolarHBondContact O-CD2 3.46Å; G568-Y584 PolarHBondContact O-N 3.33Å; G568-Y584 VanDerWaalsContact O-N 3.09Å; T570-Y584 HydrophobicContact CG2-CD1 4.03Å; T570-Y584 HydrophobicContact CG2-CD2 3.59Å; T570-Y584 HydrophobicContact CG2-CE1 3.93Å; T570-Y584 HydrophobicContact CG2-CE2 3.45Å; T570-Y584 VanDerWaalsContact CG2-CE2 3.45Å; T570-Y584 HydrophobicContact CG2-CG 3.87Å; Y584-K586 PolarHBondContact O-N 2.62Å
585	D	97.8	Very high	94.3	Very high	28 Å²	28	19.5 Å²	19.5	15%	0.15	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	2.5	175.1	72.3	14.1	0	0	0	114.3	H565 E566 D567 S583 T587	H565-D585 WeakPolarHBondContact CA-OD2 3.5Å; H565-D585 IonicContact CE1-OD1 3.29Å; H565-D585 IonicContact CE1-OD2 3.8Å; H565-D585 IonicContact CG-OD2 3.34Å; H565-D585 IonicContact ND1-OD1 3.55Å; H565-D585 PolarHBondContact ND1-OD1 3.14Å; H565-D585 IonicContact ND1-OD2 3.37Å; H565-D585 PolarHBondContact ND1-OD2 2.75Å; E566-D585 HydrophobicContact CB-CB 4.2Å; E566-D585 PolarHBondContact N-OD2 3.48Å; D567-D585 HydrophobicContact CB-CB 3.95Å; S583-D585 WeakPolarHBondContact CB-OD1 3.33Å; S583-D585 PolarHBondContact O-N 3.14Å; S583-D585 PolarHBondContact OG-N 2.96Å; S583-D585 VanDerWaalsContact OG-N 3.1Å; S583-D585 PolarHBondContact OG-OD1 3.01Å; D585-T587 VanDerWaalsContact CG-OG1 3.28Å; D585-T587 PolarHBondContact O-N 3.08Å; D585-T587 WeakPolarHBondContact OD1-CA 3.11Å; D585-T587 VanDerWaalsContact OD1-CB 3.3Å; D585-T587 WeakPolarHBondContact OD1-CB 3.49Å; D585-T587 PolarHBondContact OD1-N 2.74Å; D585-T587 PolarHBondContact OD1-OG1 3.04Å; D585-T587 PolarHBondContact OD2-OG1 2.81Å
586	K	98.1	Very high	93.9	Very high	103 Å²	103	26.5 Å²	26.5	45%	0.448	14%	0.136	S	C	.	.	S	Bend	trans	72.1	8	176.2	-40.7	169.3	-177.5	-179.3	0	113.6	G210 S583 Y584	G210-K586 WeakPolarHBondContact O-CB 3.36Å; S583-K586 PolarHBondContact O-N 2.76Å; Y584-K586 PolarHBondContact O-N 2.62Å
587	T	97.2	Very high	94.5	Very high	18 Å²	18	27.4 Å²	27.4	11%	0.11	14%	0.138	C	C	.	.			trans	-103.1	154.7	-179	76.1	0	0	0	0	111.8	N206 H565 S583 D585	N206-T587 VanDerWaalsContact OD1-CG2 3.24Å; N206-T587 WeakPolarHBondContact OD1-CG2 3.36Å; H565-T587 PolarHBondContact CE1-OG1 3.01Å; H565-T587 PolarHBondContact ND1-OG1 3.3Å; S583-T587 PolarHBondContact N-O 3.45Å; D585-T587 VanDerWaalsContact CG-OG1 3.28Å; D585-T587 PolarHBondContact O-N 3.08Å; D585-T587 WeakPolarHBondContact OD1-CA 3.11Å; D585-T587 VanDerWaalsContact OD1-CB 3.3Å; D585-T587 WeakPolarHBondContact OD1-CB 3.49Å; D585-T587 PolarHBondContact OD1-N 2.74Å; D585-T587 PolarHBondContact OD1-OG1 3.04Å; D585-T587 PolarHBondContact OD2-OG1 2.81Å
588	V	97.5	Very high	94.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	163.2	169.4	0	0	0	0	108	F205 V212 I215 I222 I580 S581	F205-V588 HydrophobicContact CB-CB 4.09Å; F205-V588 HydrophobicContact CD2-CG1 4.19Å; F205-V588 PolarHBondContact N-O 3.42Å; F205-V588 PolarHBondContact O-N 2.91Å; F205-V588 VanDerWaalsContact O-N 3.11Å; V212-V588 HydrophobicContact CG1-CG2 4.14Å; V212-V588 HydrophobicContact CG2-CG2 4.05Å; I215-V588 HydrophobicContact CD1-CB 4.34Å; I215-V588 HydrophobicContact CD1-CG1 3.45Å; I215-V588 VanDerWaalsContact CD1-CG1 3.45Å; I215-V588 HydrophobicContact CD1-CG2 3.97Å; I222-V588 HydrophobicContact CG2-CG1 4.25Å; I580-V588 HydrophobicContact CG2-CG1 3.76Å; S581-V588 CarbonylContact O-C 3.59Å; S581-V588 VanDerWaalsContact O-CA 3.24Å; S581-V588 WeakPolarHBondContact O-CA 3.42Å
589	I	97.3	Very high	95	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.7	179.2	-59.1	-175.3	0	0	0	109.5	I202 K204 E564 H565 I580 S581 Y591	I202-I589 HydrophobicContact CG2-CG2 3.67Å; K204-I589 HydrophobicContact CD-CD1 4.26Å; K204-I589 HydrophobicContact CD-CG1 4.5Å; K204-I589 HydrophobicContact CG-CD1 4.32Å; K204-I589 HydrophobicContact CG-CG1 4.11Å; E564-I589 HydrophobicContact CB-CD1 4.02Å; H565-I589 VanDerWaalsContact CE1-CG1 3.48Å; H565-I589 WeakPolarHBondContact CE1-CG1 3.4Å; I580-I589 CarbonylContact C-O 3.46Å; I580-I589 VanDerWaalsContact CA-O 3.27Å; I580-I589 WeakPolarHBondContact CA-O 3.23Å; I580-I589 WeakPolarHBondContact CG2-O 3.4Å; S581-I589 PolarHBondContact N-O 3.47Å; S581-I589 PolarHBondContact O-N 2.97Å; I589-Y591 HydrophobicContact CB-CE2 3.89Å; I589-Y591 HydrophobicContact CG2-CD1 4.46Å; I589-Y591 HydrophobicContact CG2-CD2 4Å; I589-Y591 HydrophobicContact CG2-CE1 4.04Å; I589-Y591 HydrophobicContact CG2-CE2 3.51Å; I589-Y591 HydrophobicContact CG2-CG 4.44Å
590	L	96.8	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	170.3	-176.6	155.6	0	0	0	109.5	I202 R203 F205 I222 I236 V578 I579 I580 D592	I202-L590 CarbonylContact C-O 3.58Å; I202-L590 WeakPolarHBondContact CA-O 3.25Å; R203-L590 HydrophobicContact CB-CB 4.46Å; R203-L590 PolarHBondContact N-O 3.41Å; R203-L590 VanDerWaalsContact NH2-CD1 3.29Å; R203-L590 VanDerWaalsContact NH2-CD2 3.3Å; R203-L590 PolarHBondContact O-N 2.59Å; F205-L590 HydrophobicContact CE2-CB 3.82Å; I222-L590 HydrophobicContact CD1-CD1 3.92Å; I236-L590 HydrophobicContact CG1-CD1 3.85Å; V578-L590 HydrophobicContact CG1-CD1 3.81Å; V578-L590 HydrophobicContact CG1-CD2 3.69Å; V578-L590 HydrophobicContact CG1-CG 3.41Å; V578-L590 VanDerWaalsContact CG1-CG 3.41Å; I579-L590 WeakPolarHBondContact O-CA 3.42Å; I580-L590 HydrophobicContact CD1-CD1 4.1Å; I580-L590 HydrophobicContact CG1-CD1 4.28Å; I580-L590 HydrophobicContact CG1-CG 4.2Å; L590-D592 HydrophobicContact CD2-CB 3.91Å
591	Y	96.5	Very high	94.7	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	111.7	175	-51.5	-102.7	0	0	0	108.7	H200 I202 I548 L562 E564 V578 I579 S581 I589	H200-Y591 AromaticContact CD2-CD1 3.57Å; H200-Y591 AromaticContact NE2-CD1 3.51Å; I202-Y591 HydrophobicContact CG1-CD1 4.3Å; I548-Y591 HydrophobicContact CD1-CD2 4.49Å; I548-Y591 HydrophobicContact CD1-CE2 3.64Å; L562-Y591 HydrophobicContact CB-CD1 4.43Å; L562-Y591 HydrophobicContact CB-CE1 3.92Å; L562-Y591 HydrophobicContact CD1-CD1 3.77Å; L562-Y591 HydrophobicContact CD1-CD2 4.38Å; L562-Y591 HydrophobicContact CD1-CE1 4Å; L562-Y591 HydrophobicContact CD1-CG 3.98Å; L562-Y591 HydrophobicContact CG-CD1 4.49Å; L562-Y591 HydrophobicContact CG-CE1 4.45Å; E564-Y591 HydrophobicContact CB-CE1 3.91Å; E564-Y591 HydrophobicContact CG-CD1 4.49Å; E564-Y591 HydrophobicContact CG-CE1 3.55Å; V578-Y591 VanDerWaalsContact CA-O 3.3Å; V578-Y591 WeakPolarHBondContact CA-O 3.26Å; I579-Y591 HydrophobicContact CB-CD2 4.14Å; I579-Y591 HydrophobicContact CG2-CD2 3.99Å; I579-Y591 PolarHBondContact N-O 3.34Å; I579-Y591 WeakPolarHBondContact O-CD2 3.18Å; I579-Y591 PolarHBondContact O-N 3.24Å; S581-Y591 WeakPolarHBondContact OG-CE2 3.4Å; I589-Y591 HydrophobicContact CB-CE2 3.89Å; I589-Y591 HydrophobicContact CG2-CD1 4.46Å; I589-Y591 HydrophobicContact CG2-CD2 4Å; I589-Y591 HydrophobicContact CG2-CE1 4.04Å; I589-Y591 HydrophobicContact CG2-CE2 3.51Å; I589-Y591 HydrophobicContact CG2-CG 4.44Å
592	D	94.2	Very high	94.5	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.118	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.3	179.8	-171	-2.6	0	0	0	110.4	H200 R201 L590 D594	H200-D592 CarbonylContact C-O 3.59Å; H200-D592 WeakPolarHBondContact CA-O 3.44Å; H200-D592 WeakPolarHBondContact CB-O 3.32Å; R201-D592 HydrophobicContact CB-CB 4.45Å; R201-D592 PolarHBondContact N-O 3.15Å; R201-D592 PolarHBondContact O-N 2.93Å; L590-D592 HydrophobicContact CD2-CB 3.91Å; D592-D594 WeakPolarHBondContact OD1-CB 3.3Å; D592-D594 PolarHBondContact OD1-N 3.41Å
593	F	93.4	Very high	94.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.179	C	C	.	.			trans	-91.1	-0.8	178.3	-66.8	-93.6	0	0	0	112.9	L191 N194 F195 K199 H200 L562 S577 I579 V595	L191-F593 HydrophobicContact CD1-CB 3.91Å; N194-F593 HydrophobicContact CB-CB 4.37Å; N194-F593 HydrophobicContact CB-CD1 4.47Å; N194-F593 WeakPolarHBondContact CB-O 3.45Å; N194-F593 PolarHBondContact ND2-O 3.34Å; F195-F593 HydrophobicContact CB-CD1 4.49Å; F195-F593 HydrophobicContact CD1-CD1 4Å; F195-F593 HydrophobicContact CD1-CD2 4.17Å; F195-F593 AromaticContact CD1-CE1 3.94Å; F195-F593 HydrophobicContact CD1-CE1 3.94Å; F195-F593 HydrophobicContact CD1-CE2 4.13Å; F195-F593 HydrophobicContact CD1-CG 4.12Å; F195-F593 HydrophobicContact CD1-CZ 4Å; F195-F593 HydrophobicContact CD2-CB 4Å; F195-F593 HydrophobicContact CD2-CD1 4.21Å; F195-F593 HydrophobicContact CD2-CG 4.02Å; F195-F593 HydrophobicContact CE1-CD1 4.25Å; F195-F593 AromaticContact CE1-CD2 3.58Å; F195-F593 HydrophobicContact CE1-CD2 3.58Å; F195-F593 HydrophobicContact CE1-CE1 4.27Å; F195-F593 AromaticContact CE1-CE2 3.62Å; F195-F593 HydrophobicContact CE1-CE2 3.62Å; F195-F593 AromaticContact CE1-CG 3.92Å; F195-F593 HydrophobicContact CE1-CG 3.92Å; F195-F593 AromaticContact CE1-CZ 3.96Å; F195-F593 HydrophobicContact CE1-CZ 3.96Å; F195-F593 HydrophobicContact CE2-CB 3.71Å; F195-F593 HydrophobicContact CE2-CD1 4.44Å; F195-F593 HydrophobicContact CE2-CD2 4.04Å; F195-F593 AromaticContact CE2-CG 3.81Å; F195-F593 HydrophobicContact CE2-CG 3.81Å; F195-F593 AromaticContact CG-CD1 3.98Å; F195-F593 HydrophobicContact CG-CD1 3.98Å; F195-F593 HydrophobicContact CG-CE1 4.29Å; F195-F593 HydrophobicContact CG-CG 4.16Å; F195-F593 HydrophobicContact CZ-CB 4.08Å; F195-F593 HydrophobicContact CZ-CD1 4.46Å; F195-F593 AromaticContact CZ-CD2 3.5Å; F195-F593 HydrophobicContact CZ-CD2 3.5Å; F195-F593 HydrophobicContact CZ-CE2 4.02Å; F195-F593 AromaticContact CZ-CG 3.76Å; F195-F593 HydrophobicContact CZ-CG 3.76Å; K199-F593 WeakPolarHBondContact O-CD1 3.47Å; H200-F593 HydrophobicContact CB-CD1 3.79Å; H200-F593 HydrophobicContact CB-CD2 4.34Å; H200-F593 HydrophobicContact CB-CE1 3.79Å; H200-F593 HydrophobicContact CB-CE2 4.34Å; H200-F593 HydrophobicContact CB-CG 4.08Å; H200-F593 HydrophobicContact CB-CZ 4.07Å; L562-F593 HydrophobicContact CD1-CE2 4.48Å; L562-F593 HydrophobicContact CD1-CZ 4.05Å; L562-F593 HydrophobicContact CD2-CZ 4.13Å; S577-F593 WeakPolarHBondContact O-CB 3.48Å; S577-F593 PolarHBondContact O-N 3.19Å; I579-F593 HydrophobicContact CB-CE2 4.46Å; I579-F593 HydrophobicContact CD1-CE2 3.9Å; I579-F593 HydrophobicContact CD1-CZ 4.37Å; I579-F593 HydrophobicContact CG1-CE2 4.13Å; F593-V595 PolarHBondContact O-N 2.76Å
594	D	88.6	Confident	93.9	Very high	43 Å²	43	39.1 Å²	39.1	23%	0.23	19%	0.193	C	C	.	.			trans	-81.8	59.2	173.6	-162.2	20.4	0	0	0	111	D592	D592-D594 WeakPolarHBondContact OD1-CB 3.3Å; D592-D594 PolarHBondContact OD1-N 3.41Å
595	V	87.7	Confident	93.6	Very high	27 Å²	27	36.8 Å²	36.8	16%	0.164	19%	0.187	C	C	.	.			trans	-109.8	138.5	180	-67.7	0	0	0	0	111	N194 K199 R201 F593	N194-V595 PolarHBondContact ND2-O 3.44Å; K199-V595 HydrophobicContact CB-CG2 4.29Å; K199-V595 HydrophobicContact CD-CG2 4.04Å; K199-V595 HydrophobicContact CG-CG2 3.76Å; K199-V595 WeakPolarHBondContact O-CG2 3.18Å; R201-V595 HydrophobicContact CB-CG1 3.9Å; F593-V595 PolarHBondContact O-N 2.76Å
596	I	77.9	Confident	93.2	Very high	198 Å²	198	37.6 Å²	37.6	100%	1.015	19%	0.191	S	C	*	.			trans	-72.3	0	178.6	-57.9	174.3	0	0	0	109.6	K199	K199-I596 WeakPolarHBondContact CE-O 3.32Å; K199-I596 PolarHBondContact NZ-O 3.15Å; K199-I596 PolarHBondContact NZ-OXT 2.97Å

Retrieved 596 of 596 residues in 835 ms (Link to these results)

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