A0A5K4FCE6_SCHMA Loading...

General transcription factor 3C polypeptide 2

AlphaFold DB , UniProt , Accession A0A5K4FCE6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 656 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	27.3	Very low	34.5	Very low	199 Å²	199	118 Å²	118	98%	0.98	65%	0.651	S	S	*	*				0	107	0	-77.3	-177.2	178.2	0	0	108.1	T3 R540	M1-T3 PolarHBondContact O-N 3.33Å; M1-R540 HydrophobicContact CE-CG 4.18Å
2	T	25.1	Very low	34.7	Very low	142 Å²	142	108.8 Å²	108.8	87%	0.871	60%	0.602	S	S	*	*			trans	-87.6	103.7	167.4	25.6	0	0	0	0	107.6	T4	T2-T4 PolarHBondContact O-N 2.88Å
3	T	27.4	Very low	35.5	Very low	99 Å²	99	109.9 Å²	109.9	61%	0.607	60%	0.597	S	S	*	*			trans	-71.2	108.8	169	45.7	0	0	0	0	107.7	M1 T5	M1-T3 PolarHBondContact O-N 3.33Å; T3-T5 PolarHBondContact O-N 2.94Å
4	T	29.8	Very low	36.3	Very low	105 Å²	105	106.4 Å²	106.4	64%	0.644	59%	0.59	S	S	*	*			trans	-58.5	134.9	171.1	55.3	0	0	0	0	109.4	T2 K6	T2-T4 PolarHBondContact O-N 2.88Å; T4-K6 PolarHBondContact O-N 2.69Å; T4-K6 VanDerWaalsContact O-N 3.15Å
5	T	29.6	Very low	36.3	Very low	149 Å²	149	100.5 Å²	100.5	91%	0.914	56%	0.559	S	S	*	*	S	Bend	trans	-70.2	-0.3	179.8	44.3	0	0	0	0	114.3	T3	T3-T5 PolarHBondContact O-N 2.94Å
6	K	35.9	Very low	36.6	Very low	146 Å²	146	96.1 Å²	96.1	64%	0.635	53%	0.534	S	S	*	.	S	Bend	trans	-69	136.7	173.4	-71.6	-176.3	-179.8	174.5	0	110.3	T4 R8	T4-K6 PolarHBondContact O-N 2.69Å; T4-K6 VanDerWaalsContact O-N 3.15Å; K6-R8 PolarHBondContact O-N 3.08Å; K6-R8 VanDerWaalsContact O-N 3.17Å
7	P	34.2	Very low	37.1	Very low	125 Å²	125	100.1 Å²	100.1	81%	0.812	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-57.4	123.1	172.2	22.3	-30.4	0	0	0	109.4
8	R	42.4	Very low	37.4	Very low	120 Å²	120	97.2 Å²	97.2	45%	0.453	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-67.9	133	-177.5	-72.5	179.4	173.9	161.6	-3	110.4	K6 A12 K13	K6-R8 PolarHBondContact O-N 3.08Å; K6-R8 VanDerWaalsContact O-N 3.17Å; R8-A12 HydrophobicContact CB-CB 4.14Å; R8-K13 HydrophobicContact CB-CG 4.23Å; R8-K13 VanDerWaalsContact O-CE 3.29Å; R8-K13 WeakPolarHBondContact O-CE 3.46Å
9	R	45	Very low	37.4	Very low	104 Å²	104	94.2 Å²	94.2	39%	0.392	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-58.8	155.3	176.9	-66.7	-179	177.8	165.3	1.1	111.5	S11 A12 K13 D493	R9-S11 PolarHBondContact O-N 3.19Å; R9-A12 HydrophobicContact CB-CB 4.37Å; R9-A12 VanDerWaalsContact O-CB 3.3Å; R9-A12 WeakPolarHBondContact O-CB 3.2Å; R9-A12 PolarHBondContact O-N 3.43Å; R9-A12 VanDerWaalsContact O-N 3.1Å; R9-K13 PolarHBondContact O-N 3.44Å; R9-D493 IonicContact CZ-OD2 2.67Å; R9-D493 IonicContact NH1-OD1 2.63Å; R9-D493 IonicContact NH1-OD2 3.88Å; R9-D493 PolarHBondContact NH1-OD2 2.93Å
10	A	45.4	Very low	37.3	Very low	72 Å²	72	91.8 Å²	91.8	60%	0.595	51%	0.508	S	S	*	.	H	α-helix	trans	-59	-34.5	177.4	0	0	0	0	0	112.5	K13 A14	A10-K13 CarbonylContact O-C 3.59Å; A10-K13 PolarHBondContact O-N 3.47Å; A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.46Å; A10-A14 PolarHBondContact O-N 3.1Å
11	S	37.6	Very low	37.2	Very low	37 Å²	37	89 Å²	89	26%	0.259	50%	0.501	S	S	.	.	H	α-helix	trans	-61.2	-49.6	171	54.3	0	0	0	0	111.6	R9 K13 A14 C15 E503	R9-S11 PolarHBondContact O-N 3.19Å; S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 2.88Å; S11-A14 CarbonylContact O-C 3.54Å; S11-A14 PolarHBondContact O-N 3.42Å; S11-A14 VanDerWaalsContact O-N 3.11Å; S11-C15 VanDerWaalsContact O-CB 3.27Å; S11-C15 WeakPolarHBondContact O-CB 2.9Å; S11-C15 PolarHBondContact O-N 3.13Å; S11-E503 PolarHBondContact OG-OE1 3.4Å
12	A	36.7	Very low	37.5	Very low	7 Å²	7	83 Å²	83	6%	0.058	47%	0.472	C	S	.	.	H	α-helix	trans	-57.4	-45.7	174.4	0	0	0	0	0	111.3	R8 R9 L16 E503	R8-A12 HydrophobicContact CB-CB 4.14Å; R9-A12 HydrophobicContact CB-CB 4.37Å; R9-A12 VanDerWaalsContact O-CB 3.3Å; R9-A12 WeakPolarHBondContact O-CB 3.2Å; R9-A12 PolarHBondContact O-N 3.43Å; R9-A12 VanDerWaalsContact O-N 3.1Å; A12-L16 WeakPolarHBondContact O-CA 3.45Å; A12-L16 WeakPolarHBondContact O-CB 3.36Å; A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 3.3Å; A12-E503 WeakPolarHBondContact CA-OE2 3.34Å; A12-E503 WeakPolarHBondContact CB-OE2 3.46Å; A12-E503 PolarHBondContact N-OE2 3.06Å
13	K	45.7	Very low	38	Very low	124 Å²	124	79.4 Å²	79.4	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-64.2	-38.8	175.8	-72.9	177.6	-178.8	172	0	110.9	R8 R9 A10 S11 K17	R8-K13 HydrophobicContact CB-CG 4.23Å; R8-K13 VanDerWaalsContact O-CE 3.29Å; R8-K13 WeakPolarHBondContact O-CE 3.46Å; R9-K13 PolarHBondContact O-N 3.44Å; A10-K13 CarbonylContact O-C 3.59Å; A10-K13 PolarHBondContact O-N 3.47Å; S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 2.88Å; K13-K17 WeakPolarHBondContact O-CA 3.2Å; K13-K17 WeakPolarHBondContact O-CB 3.14Å; K13-K17 PolarHBondContact O-N 3.39Å
14	A	45.7	Very low	38.2	Very low	61 Å²	61	79.3 Å²	79.3	50%	0.504	45%	0.45	S	S	.	.	H	α-helix	trans	-72.7	-40.7	178.1	0	0	0	0	0	112.2	A10 S11 K17 A18	A10-A14 VanDerWaalsContact O-CB 3.25Å; A10-A14 WeakPolarHBondContact O-CB 3.46Å; A10-A14 PolarHBondContact O-N 3.1Å; S11-A14 CarbonylContact O-C 3.54Å; S11-A14 PolarHBondContact O-N 3.42Å; S11-A14 VanDerWaalsContact O-N 3.11Å; A14-K17 CarbonylContact O-C 3.59Å; A14-K17 PolarHBondContact O-N 2.94Å; A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.25Å
15	C	36.9	Very low	38.3	Very low	18 Å²	18	81 Å²	81	12%	0.122	45%	0.454	C	S	.	.	H	α-helix	trans	-64.9	-51.3	173.5	-174.5	0	0	0	0	109.8	S11 K17 A18 I19 M476	S11-C15 VanDerWaalsContact O-CB 3.27Å; S11-C15 WeakPolarHBondContact O-CB 2.9Å; S11-C15 PolarHBondContact O-N 3.13Å; C15-K17 VanDerWaalsContact C-N 3.32Å; C15-K17 PolarHBondContact O-N 3.09Å; C15-A18 PolarHBondContact O-N 2.9Å; C15-I19 WeakPolarHBondContact O-CB 3.47Å; C15-I19 WeakPolarHBondContact O-CD1 3.41Å; C15-I19 WeakPolarHBondContact O-CG1 3.1Å; C15-I19 PolarHBondContact O-N 3.37Å; C15-I19 VanDerWaalsContact SG-CD1 3.58Å; C15-M476 HydrophobicContact CB-CE 4.22Å
16	L	40.3	Very low	38.4	Very low	30 Å²	30	78.7 Å²	78.7	16%	0.157	43%	0.433	C	S	.	.	H	α-helix	trans	-61.7	-35.1	171.3	-82.7	161.6	0	0	0	112.3	A12 I19 C20	A12-L16 WeakPolarHBondContact O-CA 3.45Å; A12-L16 WeakPolarHBondContact O-CB 3.36Å; A12-L16 WeakPolarHBondContact O-CG 3.44Å; A12-L16 PolarHBondContact O-N 3.3Å; L16-I19 CarbonylContact O-C 3.47Å; L16-I19 PolarHBondContact O-N 2.67Å; L16-C20 VanDerWaalsContact O-CA 3.3Å; L16-C20 WeakPolarHBondContact O-CA 3.3Å; L16-C20 WeakPolarHBondContact O-CB 3.49Å; L16-C20 PolarHBondContact O-N 2.85Å; L16-C20 PolarHBondContact O-SG 2.62Å
17	K	45.4	Very low	38.2	Very low	163 Å²	163	79.7 Å²	79.7	71%	0.709	45%	0.446	S	S	*	.	H	α-helix	trans	-75.5	-29.7	176.7	-173.5	175.6	-176.4	176.9	0	111.6	K13 A14 C15 G21	K13-K17 WeakPolarHBondContact O-CA 3.2Å; K13-K17 WeakPolarHBondContact O-CB 3.14Å; K13-K17 PolarHBondContact O-N 3.39Å; A14-K17 CarbonylContact O-C 3.59Å; A14-K17 PolarHBondContact O-N 2.94Å; C15-K17 VanDerWaalsContact C-N 3.32Å; C15-K17 PolarHBondContact O-N 3.09Å; K17-G21 WeakPolarHBondContact O-CA 3.49Å; K17-G21 PolarHBondContact O-N 3.13Å
18	A	43.3	Very low	37.9	Very low	49 Å²	49	78.2 Å²	78.2	41%	0.405	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-45.4	169.5	0	0	0	0	0	109.9	A14 C15 L22	A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.49Å; A14-A18 PolarHBondContact O-N 3.25Å; C15-A18 PolarHBondContact O-N 2.9Å; A18-L22 VanDerWaalsContact O-CG 3.32Å; A18-L22 WeakPolarHBondContact O-CG 3.48Å; A18-L22 PolarHBondContact O-N 2.99Å
19	I	36.1	Very low	37.2	Very low	39 Å²	39	80 Å²	80	20%	0.2	46%	0.457	C	S	.	.	H	α-helix	trans	-69.7	-40	177.9	-67.9	170	0	0	0	111.7	C15 L16 L22 I504	C15-I19 WeakPolarHBondContact O-CB 3.47Å; C15-I19 WeakPolarHBondContact O-CD1 3.41Å; C15-I19 WeakPolarHBondContact O-CG1 3.1Å; C15-I19 PolarHBondContact O-N 3.37Å; C15-I19 VanDerWaalsContact SG-CD1 3.58Å; L16-I19 CarbonylContact O-C 3.47Å; L16-I19 PolarHBondContact O-N 2.67Å; I19-L22 VanDerWaalsContact O-CB 3.31Å; I19-L22 WeakPolarHBondContact O-CB 3.36Å; I19-L22 PolarHBondContact O-N 2.9Å; I19-I504 HydrophobicContact CD1-CD1 3.66Å
20	C	36.3	Very low	36.4	Very low	46 Å²	46	82.4 Å²	82.4	31%	0.311	48%	0.477	S	S	.	.	H	α-helix	trans	-84.9	-25.8	179.7	-67.5	0	0	0	0	111.9	L16 L22 T23 T24	L16-C20 VanDerWaalsContact O-CA 3.3Å; L16-C20 WeakPolarHBondContact O-CA 3.3Å; L16-C20 WeakPolarHBondContact O-CB 3.49Å; L16-C20 PolarHBondContact O-N 2.85Å; L16-C20 PolarHBondContact O-SG 2.62Å; C20-L22 PolarHBondContact O-N 3.02Å; C20-T23 WeakPolarHBondContact CA-OG1 3.17Å; C20-T23 CarbonylContact O-C 3.51Å; C20-T23 WeakPolarHBondContact O-CA 3.17Å; C20-T23 PolarHBondContact O-N 3.04Å; C20-T23 PolarHBondContact O-OG1 3.29Å; C20-T24 PolarHBondContact O-N 2.77Å; C20-T24 PolarHBondContact O-OG1 3.32Å
21	G	35.5	Very low	35.5	Very low	35 Å²	35	84 Å²	84	36%	0.361	48%	0.484	S	S	.	.	H	α-helix	trans	-63.9	-20.8	166.5	0	0	0	0	0	111.6	K17 T23	K17-G21 WeakPolarHBondContact O-CA 3.49Å; K17-G21 PolarHBondContact O-N 3.13Å; G21-T23 VanDerWaalsContact C-N 3.32Å
22	L	34	Very low	35.1	Very low	71 Å²	71	87.8 Å²	87.8	37%	0.372	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.2	166.5	-60.5	160.8	0	0	0	112.5	A18 I19 C20 R110 R118	A18-L22 VanDerWaalsContact O-CG 3.32Å; A18-L22 WeakPolarHBondContact O-CG 3.48Å; A18-L22 PolarHBondContact O-N 2.99Å; I19-L22 VanDerWaalsContact O-CB 3.31Å; I19-L22 WeakPolarHBondContact O-CB 3.36Å; I19-L22 PolarHBondContact O-N 2.9Å; C20-L22 PolarHBondContact O-N 3.02Å; L22-R110 HydrophobicContact CD2-CG 4.18Å; L22-R110 PolarHBondContact O-NH2 3.37Å; L22-R118 PolarHBondContact O-NH2 3.4Å
23	T	35.7	Very low	34.8	Very low	67 Å²	67	95.4 Å²	95.4	41%	0.411	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-35.5	-174.3	61.1	0	0	0	0	115.2	C20 G21 L25 Q26	C20-T23 WeakPolarHBondContact CA-OG1 3.17Å; C20-T23 CarbonylContact O-C 3.51Å; C20-T23 WeakPolarHBondContact O-CA 3.17Å; C20-T23 PolarHBondContact O-N 3.04Å; C20-T23 PolarHBondContact O-OG1 3.29Å; G21-T23 VanDerWaalsContact C-N 3.32Å; T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.18Å; T23-Q26 PolarHBondContact O-N 2.92Å
24	T	31.1	Very low	33.9	Very low	98 Å²	98	94.2 Å²	94.2	60%	0.601	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-73.8	-15.5	-174.4	40.6	0	0	0	0	114.4	C20 Q26	C20-T24 PolarHBondContact O-N 2.77Å; C20-T24 PolarHBondContact O-OG1 3.32Å; T24-Q26 PolarHBondContact O-N 3.4Å
25	L	31	Very low	33	Very low	139 Å²	139	99.2 Å²	99.2	73%	0.728	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-83.5	22.5	172.6	-99.1	146.9	0	0	0	113.8	T23	T23-L25 VanDerWaalsContact C-N 3.28Å; T23-L25 PolarHBondContact O-N 3.18Å
26	Q	32.9	Very low	32.5	Very low	102 Å²	102	105.9 Å²	105.9	48%	0.477	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-113.3	-9.7	174.4	-96.9	-177.2	-14.2	0	0	115.6	T23 T24	T23-Q26 PolarHBondContact O-N 2.92Å; T24-Q26 PolarHBondContact O-N 3.4Å
27	N	31.8	Very low	31.9	Very low	167 Å²	167	111 Å²	111	89%	0.893	63%	0.629	S	S	*	*	S	Bend	trans	-142.1	26.5	-176.6	-83.2	-12.5	0	0	0	115.1
28	S	27.8	Very low	31	Very low	94 Å²	94	112.2 Å²	112.2	66%	0.657	64%	0.638	S	S	*	*			trans	-130.9	96.7	169.6	61.2	0	0	0	0	110.4
29	D	27.1	Very low	30.4	Very low	157 Å²	157	115.2 Å²	115.2	84%	0.84	66%	0.655	S	S	*	*			trans	-58.1	139.4	152.3	-70.7	-37	0	0	0	109.1
30	D	27.6	Very low	30	Very low	155 Å²	155	122.8 Å²	122.8	83%	0.829	69%	0.69	S	S	*	*	S	Bend	trans	24.3	101.9	157.5	-64.3	-25.1	0	0	0	118.6
31	S	27	Very low	29.7	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	72%	0.715	S	S	*	*				172.3	129.5	121.3	44.2	0	0	0	0	111.7	I33	S31-I33 PolarHBondContact O-N 3.08Å
32	S	28.9	Very low	29.4	Very low	118 Å²	118	131.9 Å²	131.9	83%	0.825	73%	0.732	S	S	*	*			trans	7.6	105.7	157.2	55.9	0	0	0	0	117.8
33	I	30.5	Very low	29.1	Very low	166 Å²	166	135.5 Å²	135.5	85%	0.851	75%	0.752	S	S	*	*			trans	-112.1	104.5	155.2	-62.3	173.9	0	0	0	106.8	S31	S31-I33 PolarHBondContact O-N 3.08Å
34	S	26.9	Very low	28.6	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	77%	0.773	S	S	*	*			trans	-61.6	131.9	172.7	45.5	0	0	0	0	111.1	N36	S34-N36 PolarHBondContact O-N 3.48Å
35	E	26.4	Very low	28.5	Very low	167 Å²	167	144.5 Å²	144.5	78%	0.78	78%	0.783	S	S	*	*			trans	-69.1	103	173.5	-65	-176.4	149.2	0	0	110.2	I37	E35-I37 HydrophobicContact CB-CD1 4.44Å; E35-I37 HydrophobicContact CB-CG1 4.37Å
36	N	27	Very low	28.4	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	78%	0.782	S	S	*	*			trans	-92.6	97.1	158.7	-89.4	-4.8	0	0	0	108.3	S34	S34-N36 PolarHBondContact O-N 3.48Å
37	I	27.5	Very low	28.1	Very low	138 Å²	138	147.5 Å²	147.5	71%	0.708	80%	0.801	S	S	*	*			trans	-98.4	87.7	169.7	-59.8	168.8	0	0	0	106.4	E35	E35-I37 HydrophobicContact CB-CD1 4.44Å; E35-I37 HydrophobicContact CB-CG1 4.37Å
38	E	27.6	Very low	27.9	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	79%	0.793	S	S	*	*			trans	-168.1	121.3	167.5	-102.6	165.3	-150.5	0	0	103.1
39	S	30.5	Very low	27.6	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	80%	0.796	S	S	*	*			cis	-159.1	136.4	35.2	49.1	0	0	0	0	109.5	M41	S39-M41 PolarHBondContact O-N 2.78Å
40	E	27.6	Very low	27.6	Very low	198 Å²	198	143.5 Å²	143.5	93%	0.925	80%	0.797	S	S	*	*			trans	-69.5	114.3	164.3	-64.3	176.1	148.3	0	0	109.4
41	M	29.2	Very low	27.4	Very low	172 Å²	172	144.2 Å²	144.2	85%	0.847	80%	0.801	S	S	*	*			trans	-158.1	114.3	157.7	-115.9	179	179.3	0	0	111.8	S39	S39-M41 PolarHBondContact O-N 2.78Å
42	S	30	Very low	27.3	Very low	101 Å²	101	144.2 Å²	144.2	71%	0.706	80%	0.801	S	S	*	*			trans	20.4	106.6	160.8	61.4	0	0	0	0	119.4	Y44	S42-Y44 VanDerWaalsContact C-N 3.26Å; S42-Y44 PolarHBondContact O-N 3.05Å
43	D	28	Very low	27	Very low	147 Å²	147	146 Å²	146	79%	0.786	80%	0.8	S	S	*	*	S	Bend	trans	-74.3	64.3	166.9	-73	-26.6	0	0	0	112
44	Y	25.2	Very low	26.7	Very low	218 Å²	218	144.5 Å²	144.5	86%	0.855	80%	0.798	S	S	*	*			trans	-158.8	83.3	158.2	-94.8	-72.9	0	0	0	109.7	S42	S42-Y44 VanDerWaalsContact C-N 3.26Å; S42-Y44 PolarHBondContact O-N 3.05Å
45	V	28	Very low	26.5	Very low	135 Å²	135	145.2 Å²	145.2	82%	0.818	80%	0.798	S	S	*	*			trans	-90.2	107.4	157.7	-179.4	0	0	0	0	106.6	E47	V45-E47 PolarHBondContact O-N 3.26Å
46	V	28.1	Very low	26.4	Very low	116 Å²	116	145.4 Å²	145.4	70%	0.703	80%	0.799	S	S	*	*			trans	-69.6	113.8	167.9	176.2	0	0	0	0	106.5	S48	V46-S48 PolarHBondContact O-N 2.86Å
47	E	27.4	Very low	26.1	Very low	189 Å²	189	147 Å²	147	88%	0.883	80%	0.802	S	S	*	*			trans	-66.5	86.3	167.2	-74.4	-178.2	165.2	0	0	108.6	V45 G49	V45-E47 PolarHBondContact O-N 3.26Å; E47-G49 PolarHBondContact O-N 2.92Å
48	S	28.2	Very low	26.1	Very low	104 Å²	104	146.5 Å²	146.5	73%	0.727	81%	0.811	S	S	*	*			trans	-72.4	116.6	158	54.2	0	0	0	0	107.4	V46	V46-S48 PolarHBondContact O-N 2.86Å
49	G	21.5	Very low	25.8	Very low	69 Å²	69	140.7 Å²	140.7	71%	0.711	80%	0.801	S	S	*	*			trans	-54.3	141.4	177.6	0	0	0	0	0	112.2	E47	E47-G49 PolarHBondContact O-N 2.92Å
50	N	26.3	Very low	25.5	Very low	160 Å²	160	141.1 Å²	141.1	86%	0.856	80%	0.804	S	S	*	*			trans	-132	112.1	148.2	-93.2	-21.1	0	0	0	108.1	S52	N50-S52 PolarHBondContact O-N 3.01Å
51	N	23.1	Very low	25.2	Very low	170 Å²	170	139.1 Å²	139.1	91%	0.909	80%	0.8	S	S	*	*			trans	-56.7	116.8	152.5	-74.4	-27.1	0	0	0	108.1
52	S	26	Very low	24.9	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	79%	0.794	S	S	*	*			trans	-148.3	105.4	143.7	64.8	0	0	0	0	109.3	N50 T54	N50-S52 PolarHBondContact O-N 3.01Å; S52-T54 PolarHBondContact O-N 3.08Å
53	I	21.2	Very low	24.7	Very low	157 Å²	157	139.8 Å²	139.8	81%	0.805	80%	0.801	S	S	*	*			trans	-48.4	126.5	152.6	-68.7	159.2	0	0	0	108.1
54	T	25.8	Very low	24.5	Very low	134 Å²	134	137.2 Å²	137.2	82%	0.822	79%	0.794	S	S	*	*			trans	-162.7	133.9	131.6	14.9	0	0	0	0	110.1	S52	S52-T54 PolarHBondContact O-N 3.08Å
55	T	22.2	Very low	24.5	Very low	114 Å²	114	136 Å²	136	70%	0.699	79%	0.794	S	S	*	*			trans	-77.5	166.8	-177.1	-7.3	0	0	0	0	111.6
56	E	23.9	Very low	24.2	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	79%	0.79	S	S	*	*			trans	89.9	92.7	153.4	-71.3	168.2	-156.7	0	0	119.2
57	E	21.7	Very low	24.1	Very low	192 Å²	192	137.3 Å²	137.3	90%	0.897	80%	0.799	S	S	*	*				16.4	115.5	115.9	-63.3	-173.4	162.9	0	0	119
58	S	26.5	Very low	23.8	Very low	127 Å²	127	139.8 Å²	139.8	89%	0.888	80%	0.8	S	S	*	*			trans	179	133.3	136.3	38.7	0	0	0	0	105.2
59	G	21.7	Very low	23.5	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	80%	0.8	S	S	*	*			cis	137.7	142.4	24.9	0	0	0	0	0	106.1
60	S	24.6	Very low	23.7	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	80%	0.803	S	S	*	*			trans	73.5	110.7	172.7	71.4	0	0	0	0	117
61	N	21	Very low	23.5	Very low	155 Å²	155	143.1 Å²	143.1	83%	0.829	80%	0.802	S	S	*	*				74	114.7	63.6	-87.8	-6.5	0	0	0	115.8
62	S	23.4	Very low	23.7	Very low	103 Å²	103	140.3 Å²	140.3	72%	0.72	80%	0.795	S	S	*	*			trans	64.1	120	133.9	66.1	0	0	0	0	120
63	E	25.1	Very low	23.6	Very low	184 Å²	184	144.6 Å²	144.6	86%	0.86	80%	0.801	S	S	*	*				-169.7	111.9	128	-101.7	172.2	-169.2	0	0	106.5
64	S	23.1	Very low	23.7	Very low	93 Å²	93	144.3 Å²	144.3	65%	0.65	80%	0.8	S	S	*	*				89.8	140.9	70.6	86.1	0	0	0	0	114.1
65	K	25.6	Very low	23.6	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	79%	0.793	S	S	*	*			trans	84	115.8	165.2	-61.8	176.5	177.3	175.7	0	116.9
66	A	22.5	Very low	24.3	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	80%	0.797	S	S	*	*			cis	91.6	151.1	46.9	0	0	0	0	0	113.8
67	E	26	Very low	24.2	Very low	187 Å²	187	138.8 Å²	138.8	87%	0.874	79%	0.793	S	S	*	*			trans	95.3	104.1	177.4	-59.1	-179.4	173.4	0	0	114.6
68	R	19.9	Very low	24.4	Very low	242 Å²	242	137 Å²	137	91%	0.913	79%	0.789	S	S	*	*				60.6	114.9	60.4	-84.2	-168.7	179	-176.8	1.3	115.7
69	S	23.3	Very low	24.3	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	78%	0.781	S	S	*	*				119.5	141	124.2	75.3	0	0	0	0	119.2
70	N	25.7	Very low	24.3	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	78%	0.782	S	S	*	*			trans	101.9	93.5	149.7	-61.7	-14.5	0	0	0	120.7
71	D	22.2	Very low	24.4	Very low	154 Å²	154	137 Å²	137	82%	0.824	78%	0.778	S	S	*	*				24.1	151.2	114.4	-82	-35	0	0	0	123.8
72	S	27.2	Very low	24.5	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	78%	0.783	S	S	*	*			trans	97.8	111	158.2	73.5	0	0	0	0	116.5
73	K	22	Very low	24.7	Very low	195 Å²	195	134.9 Å²	134.9	85%	0.848	78%	0.78	S	S	*	*				82.3	127.7	67.7	-96	-171.4	179.8	176.7	0	115.2
74	L	23.5	Very low	24.6	Very low	150 Å²	150	131.3 Å²	131.3	79%	0.785	78%	0.776	S	S	*	*			trans	95.7	110.5	150.3	-65.6	148.6	0	0	0	119.9
75	S	24	Very low	24.7	Very low	97 Å²	97	133.8 Å²	133.8	68%	0.678	78%	0.781	S	S	*	*				2.9	174.6	128.7	60.1	0	0	0	0	121.3
76	P	37.3	Very low	24.6	Very low	120 Å²	120	131.3 Å²	131.3	78%	0.779	78%	0.775	S	S	*	*			cis	-141.7	-176.2	2.9	28.3	-1.8	0	0	0	116.9
77	A	22	Very low	25	Very low	86 Å²	86	134.7 Å²	134.7	71%	0.711	78%	0.781	S	S	*	*			trans	-14.5	149.9	158.5	0	0	0	0	0	123.4
78	N	26.3	Very low	24.9	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	78%	0.78	S	S	*	*			trans	-177.7	121	133.1	-96.5	-13.2	0	0	0	111.6
79	S	24	Very low	25.4	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	77%	0.771	S	S	*	*				69.1	144.3	107.5	74.3	0	0	0	0	115.4
80	S	22.8	Very low	25.4	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	78%	0.778	S	S	*	*			cis	168.8	170.4	0.4	46.5	0	0	0	0	107.7
81	S	26.3	Very low	25.3	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	79%	0.786	S	S	*	*			trans	81.6	118.1	165.8	77	0	0	0	0	116.8
82	T	21.9	Very low	25.5	Very low	150 Å²	150	137.2 Å²	137.2	92%	0.92	79%	0.79	S	S	*	*			cis	74.4	101	48.5	-22.1	0	0	0	0	115.3
83	G	28.4	Very low	25.6	Very low	64 Å²	64	141.3 Å²	141.3	66%	0.66	79%	0.794	S	S	*	*			trans	-155.6	115.7	159.2	0	0	0	0	0	108.2
84	S	23.6	Very low	25.7	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	79%	0.791	S	S	*	*				56.4	133.6	88.4	77.8	0	0	0	0	113.3
85	L	23.9	Very low	25.9	Very low	145 Å²	145	134.8 Å²	134.8	76%	0.759	79%	0.786	S	S	*	*			cis	-173.7	146.1	6.5	-103.8	157.4	0	0	0	105.1
86	I	24.2	Very low	26	Very low	140 Å²	140	137 Å²	137	72%	0.718	79%	0.788	S	S	*	*			trans	57	112.8	147.9	-52.1	165.3	0	0	0	120.3
87	D	30.8	Very low	25.5	Very low	163 Å²	163	140.3 Å²	140.3	87%	0.872	79%	0.791	S	S	*	*				-172.2	136.8	117.9	-102.1	-24.9	0	0	0	112.6
88	E	23.4	Very low	25.7	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	79%	0.79	S	S	*	*			trans	-70.8	-179.4	175.4	-100.4	179	136.8	0	0	113.7
89	P	29.9	Very low	25.6	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	79%	0.789	S	S	*	*			cis	-126.1	163	-22.6	28.9	-9.1	0	0	0	113.5	R91	P89-R91 PolarHBondContact O-N 3.13Å
90	C	22.9	Very low	25.5	Very low	130 Å²	130	147.7 Å²	147.7	88%	0.878	79%	0.792	S	S	*	*			trans	-52.9	111.1	177.7	-67.4	0	0	0	0	115.7
91	R	25	Very low	25.7	Very low	249 Å²	249	147.8 Å²	147.8	94%	0.94	79%	0.791	S	S	*	*			trans	-131.7	62.1	148.6	-90.7	-171.6	175.6	179	0.6	110.5	P89 K93	P89-R91 PolarHBondContact O-N 3.13Å; R91-K93 PolarHBondContact O-N 3.23Å
92	K	26.8	Very low	25.6	Very low	209 Å²	209	149 Å²	149	91%	0.909	79%	0.793	S	S	*	*			trans	-90.3	102.5	166.7	-80.3	-176.8	179.2	174.3	0	109	S94	K92-S94 PolarHBondContact O-N 3.37Å
93	K	27.6	Very low	25.8	Very low	197 Å²	197	149.8 Å²	149.8	86%	0.857	79%	0.79	S	S	*	*			trans	-36.1	126.3	163	-68.7	173.7	177.2	176.5	0	108.9	R91 S95	R91-K93 PolarHBondContact O-N 3.23Å; K93-S95 PolarHBondContact O-N 2.99Å
94	S	25	Very low	25.7	Very low	110 Å²	110	149.3 Å²	149.3	77%	0.769	79%	0.786	S	S	*	*			trans	-60.4	82.9	168.3	55.6	0	0	0	0	108.8	K92 I96	K92-S94 PolarHBondContact O-N 3.37Å; S94-I96 PolarHBondContact O-N 3.01Å
95	S	27.5	Very low	26	Very low	98 Å²	98	151.4 Å²	151.4	69%	0.685	79%	0.788	S	S	*	*			trans	-67.1	94.6	157.1	63	0	0	0	0	104.5	K93 K97	K93-S95 PolarHBondContact O-N 2.99Å; S95-K97 PolarHBondContact O-N 3.24Å
96	I	27.4	Very low	26.7	Very low	142 Å²	142	154.6 Å²	154.6	73%	0.728	80%	0.796	S	S	*	*			trans	-46.7	105.6	156.9	-67.9	167.1	0	0	0	103.7	S94 V98	S94-I96 PolarHBondContact O-N 3.01Å; I96-V98 HydrophobicContact CG2-CG2 4.09Å; I96-V98 PolarHBondContact O-N 3.48Å
97	K	25.7	Very low	27.1	Very low	191 Å²	191	149.9 Å²	149.9	83%	0.83	78%	0.782	S	S	*	*			trans	-62.7	84.2	165.2	-78.1	-179	177.2	178.8	0	103.6	S95 H99	S95-K97 PolarHBondContact O-N 3.24Å; K97-H99 PolarHBondContact O-N 3.44Å
98	V	27	Very low	27.2	Very low	113 Å²	113	146.9 Å²	146.9	69%	0.685	77%	0.773	S	S	*	*			trans	-54.2	103.8	157.4	176.8	0	0	0	0	102	I96 R100	I96-V98 HydrophobicContact CG2-CG2 4.09Å; I96-V98 PolarHBondContact O-N 3.48Å; V98-R100 PolarHBondContact O-N 2.95Å
99	H	24.3	Very low	27.8	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.806	76%	0.756	S	S	*	*			trans	-54.7	87.8	162	-95.4	-60.1	0	0	0	104.8	K97 P101	K97-H99 PolarHBondContact O-N 3.44Å; H99-P101 VanDerWaalsContact O-CD 3.22Å; H99-P101 WeakPolarHBondContact O-CD 3.29Å; H99-P101 VanDerWaalsContact O-N 3.13Å
100	R	22.1	Very low	28.3	Very low	211 Å²	211	140.1 Å²	140.1	80%	0.796	73%	0.731	S	S	*	*			trans	-55.8	115.1	151	-85.5	-176.5	174.2	177.4	-1.8	102.5	V98 V102	V98-R100 PolarHBondContact O-N 2.95Å; R100-V102 VanDerWaalsContact C-N 3.27Å; R100-V102 PolarHBondContact O-N 3.26Å
101	P	25.7	Very low	28.8	Very low	103 Å²	103	135.5 Å²	135.5	67%	0.669	70%	0.701	S	S	*	*			trans	-58.3	110.5	164	4.5	6.9	0	0	0	103.4	H99 L103	H99-P101 VanDerWaalsContact O-CD 3.22Å; H99-P101 WeakPolarHBondContact O-CD 3.29Å; H99-P101 VanDerWaalsContact O-N 3.13Å; P101-L103 HydrophobicContact CB-CD1 4.27Å; P101-L103 PolarHBondContact O-N 3.01Å
102	V	25	Very low	29.5	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	67%	0.667	S	S	*	*			trans	-61.6	91.2	165.1	175.1	0	0	0	0	103.1	R100 G104	R100-V102 VanDerWaalsContact C-N 3.27Å; R100-V102 PolarHBondContact O-N 3.26Å; V102-G104 PolarHBondContact O-N 2.95Å
103	L	26.4	Very low	30	Very low	167 Å²	167	121.8 Å²	121.8	87%	0.874	65%	0.652	S	S	*	*			trans	-74.4	48.5	170.5	-128	98.7	0	0	0	107.7	P101 D105	P101-L103 HydrophobicContact CB-CD1 4.27Å; P101-L103 PolarHBondContact O-N 3.01Å; L103-D105 PolarHBondContact O-N 3.14Å
104	G	25.1	Very low	30.7	Very low	55 Å²	55	114.3 Å²	114.3	57%	0.567	62%	0.623	S	S	*	*			trans	-90.9	85.8	165.9	0	0	0	0	0	106.4	V102	V102-G104 PolarHBondContact O-N 2.95Å
105	D	30.5	Very low	31.5	Very low	153 Å²	153	113.6 Å²	113.6	82%	0.818	60%	0.603	S	S	*	*				176.9	136	121.4	-111.6	-28.6	0	0	0	110.5	L103 G107	L103-D105 PolarHBondContact O-N 3.14Å; D105-G107 PolarHBondContact O-N 3.18Å
106	K	37.6	Very low	32.1	Very low	213 Å²	213	110 Å²	110	93%	0.926	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	37.1	-175.9	-68.4	173.7	176.8	167.2	0	113.3
107	G	33	Very low	32.6	Very low	41 Å²	41	108.3 Å²	108.3	42%	0.423	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.2	-5.8	-179.7	0	0	0	0	0	115.6	D105 R115	D105-G107 PolarHBondContact O-N 3.18Å; G107-R115 PolarHBondContact O-NE 2.83Å; G107-R115 PolarHBondContact O-NH1 2.83Å
108	C	33.7	Very low	33.4	Very low	99 Å²	99	102.7 Å²	102.7	67%	0.669	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5	-169.6	-99.4	0	0	0	0	117	R110 R115	C108-R110 VanDerWaalsContact C-N 3.29Å; C108-R110 PolarHBondContact O-N 3.18Å; C108-R115 PolarHBondContact O-NH2 2.96Å
109	L	36.7	Very low	34.2	Very low	96 Å²	96	101.4 Å²	101.4	50%	0.503	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.6	-173.4	-63.4	175.1	0	0	0	115.6	L472	L109-L472 HydrophobicContact CB-CD1 4.29Å; L109-L472 HydrophobicContact CD2-CB 4.34Å; L109-L472 HydrophobicContact CD2-CD1 3.52Å
110	R	38.4	Very low	34.9	Very low	58 Å²	58	94.3 Å²	94.3	22%	0.219	50%	0.504	C	S	.	.	S	Bend	trans	-119.9	144.2	178.7	-71.3	-175.6	174.2	157.9	1.8	111.3	L22 C108 R115 R118	L22-R110 HydrophobicContact CD2-CG 4.18Å; L22-R110 PolarHBondContact O-NH2 3.37Å; C108-R110 VanDerWaalsContact C-N 3.29Å; C108-R110 PolarHBondContact O-N 3.18Å; R110-R115 HydrophobicContact CB-CG 3.81Å; R110-R115 PolarHBondContact O-NE 2.96Å; R110-R115 PolarHBondContact O-NH2 3.45Å; R110-R118 VanDerWaalsContact CZ-CZ 3.46Å; R110-R118 VanDerWaalsContact NH1-CD 3.32Å
111	S	35.4	Very low	36.1	Very low	34 Å²	34	93.8 Å²	93.8	24%	0.238	50%	0.502	C	S	.	.			trans	-57	140.5	168.2	80.7	0	0	0	0	109.2	F113 V114 R115	S111-F113 PolarHBondContact O-N 3.14Å; S111-F113 VanDerWaalsContact O-N 3.14Å; S111-V114 PolarHBondContact O-N 3.49Å; S111-V114 WeakPolarHBondContact OG-CG2 3.24Å; S111-V114 PolarHBondContact OG-N 2.78Å; S111-R115 PolarHBondContact O-N 3.47Å; S111-R115 VanDerWaalsContact O-N 3.15Å
112	P	38	Very low	37.1	Very low	35 Å²	35	91.8 Å²	91.8	23%	0.227	50%	0.501	C	S	.	.	H	α-helix	trans	-60.7	-26.3	-176.9	-29.3	40.8	0	0	0	113.1	R115 Y116 S139	P112-R115 PolarHBondContact O-N 3.26Å; P112-Y116 WeakPolarHBondContact O-CB 3.45Å; P112-Y116 PolarHBondContact O-N 2.72Å; P112-S139 WeakPolarHBondContact CB-OG 3.05Å; P112-S139 WeakPolarHBondContact CD-OG 3.34Å; P112-S139 WeakPolarHBondContact CG-OG 3.14Å
113	F	38.6	Very low	37.8	Very low	134 Å²	134	96 Å²	96	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-46.6	171.3	-172.9	-105.1	0	0	0	112.3	S111 R115 Y116 M117	S111-F113 PolarHBondContact O-N 3.14Å; S111-F113 VanDerWaalsContact O-N 3.14Å; F113-R115 VanDerWaalsContact C-N 3.34Å; F113-R115 PolarHBondContact O-N 3.4Å; F113-Y116 PolarHBondContact O-N 3.27Å; F113-M117 HydrophobicContact CD1-CG 4.27Å; F113-M117 HydrophobicContact CE1-CG 3.96Å; F113-M117 HydrophobicContact CE2-CG 4.5Å; F113-M117 HydrophobicContact CZ-CG 4.09Å; F113-M117 HydrophobicContact CZ-SD 4.24Å; F113-M117 WeakPolarHBondContact O-CG 3.06Å; F113-M117 PolarHBondContact O-N 3.26Å
114	V	42.7	Very low	38.5	Very low	41 Å²	41	92.3 Å²	92.3	25%	0.248	48%	0.482	C	S	.	.	H	α-helix	trans	-67.4	-34.4	177.4	175.6	0	0	0	0	111.7	S111 R118	S111-V114 PolarHBondContact O-N 3.49Å; S111-V114 WeakPolarHBondContact OG-CG2 3.24Å; S111-V114 PolarHBondContact OG-N 2.78Å; V114-R118 PolarHBondContact O-N 3.42Å; V114-R118 VanDerWaalsContact O-N 3.15Å
115	R	40.4	Very low	39.8	Very low	94 Å²	94	96.8 Å²	96.8	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-44.3	173.4	-66.4	-174	-136.2	172.3	4.3	111.4	G107 C108 R110 S111 P112 F113 R118 S119	G107-R115 PolarHBondContact O-NE 2.83Å; G107-R115 PolarHBondContact O-NH1 2.83Å; C108-R115 PolarHBondContact O-NH2 2.96Å; R110-R115 HydrophobicContact CB-CG 3.81Å; R110-R115 PolarHBondContact O-NE 2.96Å; R110-R115 PolarHBondContact O-NH2 3.45Å; S111-R115 PolarHBondContact O-N 3.47Å; S111-R115 VanDerWaalsContact O-N 3.15Å; P112-R115 PolarHBondContact O-N 3.26Å; F113-R115 VanDerWaalsContact C-N 3.34Å; F113-R115 PolarHBondContact O-N 3.4Å; R115-R118 PolarHBondContact O-N 3.04Å; R115-S119 PolarHBondContact O-N 3.33Å; R115-S119 PolarHBondContact O-OG 3.34Å
116	Y	39.5	Very low	40.3	Very low	24 Å²	24	98.4 Å²	98.4	9%	0.094	49%	0.488	C	S	.	.	H	α-helix	trans	-64.7	-47.4	178.1	178.5	-108.5	0	0	0	112	P112 F113 R118 S119 C120 P128 I131	P112-Y116 WeakPolarHBondContact O-CB 3.45Å; P112-Y116 PolarHBondContact O-N 2.72Å; F113-Y116 PolarHBondContact O-N 3.27Å; Y116-R118 PolarHBondContact O-N 2.99Å; Y116-S119 WeakPolarHBondContact CA-OG 3.46Å; Y116-S119 PolarHBondContact O-N 2.83Å; Y116-S119 VanDerWaalsContact O-N 3.14Å; Y116-S119 PolarHBondContact O-OG 3.27Å; Y116-C120 WeakPolarHBondContact CE2-SG 3.46Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.9Å; Y116-C120 PolarHBondContact O-SG 3.31Å; Y116-P128 WeakPolarHBondContact OH-CA 3.46Å; Y116-I131 HydrophobicContact CD2-CG2 3.78Å; Y116-I131 HydrophobicContact CE2-CB 3.82Å; Y116-I131 HydrophobicContact CE2-CD1 3.89Å; Y116-I131 HydrophobicContact CE2-CG1 4.45Å; Y116-I131 HydrophobicContact CE2-CG2 3.22Å; Y116-I131 VanDerWaalsContact OH-CD1 3.3Å; Y116-I131 WeakPolarHBondContact OH-CD1 3.48Å
117	M	38.7	Very low	40.7	Very low	106 Å²	106	92.7 Å²	92.7	52%	0.522	47%	0.468	S	S	.	.	H	α-helix	trans	-59.2	-30.5	176.7	-70.4	-64.7	-74.6	0	0	112.6	F113	F113-M117 HydrophobicContact CD1-CG 4.27Å; F113-M117 HydrophobicContact CE1-CG 3.96Å; F113-M117 HydrophobicContact CE2-CG 4.5Å; F113-M117 HydrophobicContact CZ-CG 4.09Å; F113-M117 HydrophobicContact CZ-SD 4.24Å; F113-M117 WeakPolarHBondContact O-CG 3.06Å; F113-M117 PolarHBondContact O-N 3.26Å
118	R	42.3	Very low	40.9	Very low	73 Å²	73	93.6 Å²	93.6	28%	0.275	47%	0.466	S	S	.	.	H	α-helix	trans	-77.6	-44.6	172.1	-90.8	-165.4	-174.4	-164.8	5.7	113.4	L22 R110 V114 R115 Y116 C120 R121	L22-R118 PolarHBondContact O-NH2 3.4Å; R110-R118 VanDerWaalsContact CZ-CZ 3.46Å; R110-R118 VanDerWaalsContact NH1-CD 3.32Å; V114-R118 PolarHBondContact O-N 3.42Å; V114-R118 VanDerWaalsContact O-N 3.15Å; R115-R118 PolarHBondContact O-N 3.04Å; Y116-R118 PolarHBondContact O-N 2.99Å; R118-C120 PolarHBondContact O-N 3.36Å; R118-R121 PolarHBondContact O-N 3.44Å
119	S	43.4	Very low	41	Very low	85 Å²	85	97.1 Å²	97.1	59%	0.594	47%	0.47	S	S	*	.	H	α-helix	trans	-64	-25.5	178.9	62.3	0	0	0	0	112.3	R115 Y116 R121	R115-S119 PolarHBondContact O-N 3.33Å; R115-S119 PolarHBondContact O-OG 3.34Å; Y116-S119 WeakPolarHBondContact CA-OG 3.46Å; Y116-S119 PolarHBondContact O-N 2.83Å; Y116-S119 VanDerWaalsContact O-N 3.14Å; Y116-S119 PolarHBondContact O-OG 3.27Å; S119-R121 VanDerWaalsContact C-N 3.3Å; S119-R121 PolarHBondContact O-N 3.24Å
120	C	40.2	Very low	41.4	Very low	26 Å²	26	96 Å²	96	18%	0.176	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.1	177.8	-67.3	0	0	0	0	114.9	Y116 R118 G122 I124	Y116-C120 WeakPolarHBondContact CE2-SG 3.46Å; Y116-C120 WeakPolarHBondContact O-CB 3.39Å; Y116-C120 PolarHBondContact O-N 2.9Å; Y116-C120 PolarHBondContact O-SG 3.31Å; R118-C120 PolarHBondContact O-N 3.36Å; C120-G122 PolarHBondContact O-N 2.87Å; C120-I124 HydrophobicContact CB-CD1 3.93Å; C120-I124 HydrophobicContact CB-CG1 3.94Å; C120-I124 WeakPolarHBondContact O-CG1 3.05Å
121	R	46.9	Very low	41.3	Very low	199 Å²	199	95.1 Å²	95.1	75%	0.751	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.7	177.6	-73.4	-171.3	176.3	-166.7	-4	113.8	R118 S119	R118-R121 PolarHBondContact O-N 3.44Å; S119-R121 VanDerWaalsContact C-N 3.3Å; S119-R121 PolarHBondContact O-N 3.24Å
122	G	46.3	Very low	41.3	Very low	62 Å²	62	95.8 Å²	95.8	64%	0.639	48%	0.476	S	S	*	.	S	Bend	trans	-104.3	-39.3	-172.7	0	0	0	0	0	116.9	C120	C120-G122 PolarHBondContact O-N 2.87Å
123	R	39.4	Very low	41.3	Very low	220 Å²	220	97.4 Å²	97.4	83%	0.83	49%	0.487	S	S	*	.			trans	-179.2	113	-179.2	-100.3	154.5	-162	-151.4	6.5	107.3	D125	R123-D125 PolarHBondContact O-N 2.74Å
124	I	41.9	Very low	41.4	Very low	91 Å²	91	94 Å²	94	47%	0.467	48%	0.484	S	S	.	.			trans	-93.9	90.4	174.9	-59.4	179.3	0	0	0	106.9	C120 R126 P128	C120-I124 HydrophobicContact CB-CD1 3.93Å; C120-I124 HydrophobicContact CB-CG1 3.94Å; C120-I124 WeakPolarHBondContact O-CG1 3.05Å; I124-R126 WeakPolarHBondContact CG2-O 3.32Å; I124-R126 PolarHBondContact O-N 3.19Å; I124-P128 HydrophobicContact CD1-CG 4.32Å; I124-P128 HydrophobicContact CG2-CG 4.16Å
125	D	51.9	Low	41.2	Very low	149 Å²	149	96.1 Å²	96.1	80%	0.797	49%	0.49	S	S	*	.			trans	-78.1	-2.5	172.8	-73.2	-19	0	0	0	112.4	R123	R123-D125 PolarHBondContact O-N 2.74Å
126	R	40.2	Very low	41.1	Very low	186 Å²	186	98.3 Å²	98.3	70%	0.702	50%	0.502	S	S	*	.	S	Bend	trans	-140.8	135.2	-177.1	-76.3	-171.3	-175.9	-166.3	1	111.9	I124 I131	I124-R126 WeakPolarHBondContact CG2-O 3.32Å; I124-R126 PolarHBondContact O-N 3.19Å; R126-I131 HydrophobicContact CB-CD1 3.67Å; R126-I131 HydrophobicContact CB-CG1 4.35Å
127	D	46.5	Very low	41.3	Very low	94 Å²	94	101.8 Å²	101.8	50%	0.503	52%	0.522	S	S	.	.			trans	-50.3	122.5	-179.1	-176.7	-5.4	0	0	0	111.4	K129 S130	D127-K129 PolarHBondContact O-N 3.28Å; D127-K129 VanDerWaalsContact O-N 3.08Å; D127-K129 WeakPolarHBondContact OD1-CB 3.31Å; D127-K129 PolarHBondContact OD1-N 3.23Å; D127-S130 WeakPolarHBondContact O-CB 3.28Å; D127-S130 PolarHBondContact O-N 3.01Å; D127-S130 PolarHBondContact O-OG 3.04Å
128	P	37.3	Very low	41.6	Very low	60 Å²	60	101.7 Å²	101.7	39%	0.39	52%	0.52	S	S	.	.	H	α-helix	trans	-50.1	-30.7	174.7	-27.7	34.7	0	0	0	114.4	Y116 I124 S130 I131 A132	Y116-P128 WeakPolarHBondContact OH-CA 3.46Å; I124-P128 HydrophobicContact CD1-CG 4.32Å; I124-P128 HydrophobicContact CG2-CG 4.16Å; P128-S130 PolarHBondContact O-N 3.14Å; P128-I131 PolarHBondContact O-N 3.47Å; P128-A132 PolarHBondContact O-N 3.27Å; P128-A132 VanDerWaalsContact O-N 3.13Å
129	K	36.9	Very low	41.6	Very low	173 Å²	173	99.1 Å²	99.1	75%	0.752	51%	0.513	S	S	*	.	H	α-helix	trans	-62.7	-28.4	175.5	-69.6	-177.8	175.2	179.6	0	113.1	D127 P133	D127-K129 PolarHBondContact O-N 3.28Å; D127-K129 VanDerWaalsContact O-N 3.08Å; D127-K129 WeakPolarHBondContact OD1-CB 3.31Å; D127-K129 PolarHBondContact OD1-N 3.23Å; K129-P133 WeakPolarHBondContact O-CD 3.13Å; K129-P133 WeakPolarHBondContact O-CG 3.25Å
130	S	44	Very low	41.7	Very low	71 Å²	71	98.2 Å²	98.2	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-83.4	-24.6	179.2	71.4	0	0	0	0	113.7	D127 P128	D127-S130 WeakPolarHBondContact O-CB 3.28Å; D127-S130 PolarHBondContact O-N 3.01Å; D127-S130 PolarHBondContact O-OG 3.04Å; P128-S130 PolarHBondContact O-N 3.14Å
131	I	36.4	Very low	42	Very low	41 Å²	41	100.6 Å²	100.6	21%	0.21	51%	0.513	C	S	.	.	H	α-helix	trans	-98.1	-36.5	-171.7	-58.5	164.2	0	0	0	112.5	Y116 R126 P128 P133 A134 K135	Y116-I131 HydrophobicContact CD2-CG2 3.78Å; Y116-I131 HydrophobicContact CE2-CB 3.82Å; Y116-I131 HydrophobicContact CE2-CD1 3.89Å; Y116-I131 HydrophobicContact CE2-CG1 4.45Å; Y116-I131 HydrophobicContact CE2-CG2 3.22Å; Y116-I131 VanDerWaalsContact OH-CD1 3.3Å; Y116-I131 WeakPolarHBondContact OH-CD1 3.48Å; R126-I131 HydrophobicContact CB-CD1 3.67Å; R126-I131 HydrophobicContact CB-CG1 4.35Å; P128-I131 PolarHBondContact O-N 3.47Å; I131-P133 VanDerWaalsContact C-CD 3.46Å; I131-P133 VanDerWaalsContact C-N 3.33Å; I131-A134 PolarHBondContact O-N 2.91Å; I131-K135 HydrophobicContact CG2-CG 4.2Å; I131-K135 PolarHBondContact O-N 2.96Å; I131-K135 VanDerWaalsContact O-N 3.1Å
132	A	35.6	Very low	42	Very low	47 Å²	47	94.2 Å²	94.2	39%	0.388	50%	0.498	S	S	.	.	H	α-helix	trans	-53.7	-43.6	179.1	0	0	0	0	0	112.7	P128 A134 F136	P128-A132 PolarHBondContact O-N 3.27Å; P128-A132 VanDerWaalsContact O-N 3.13Å; A132-A134 PolarHBondContact O-N 3.36Å; A132-F136 WeakPolarHBondContact O-CB 3.41Å; A132-F136 PolarHBondContact O-N 3.01Å
133	P	38.7	Very low	42	Very low	69 Å²	69	94.3 Å²	94.3	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-44.1	177.6	-22.6	34.3	0	0	0	112.9	K129 I131 F136 L137	K129-P133 WeakPolarHBondContact O-CD 3.13Å; K129-P133 WeakPolarHBondContact O-CG 3.25Å; I131-P133 VanDerWaalsContact C-CD 3.46Å; I131-P133 VanDerWaalsContact C-N 3.33Å; P133-F136 PolarHBondContact O-N 3.33Å; P133-L137 WeakPolarHBondContact O-CB 3.33Å; P133-L137 WeakPolarHBondContact O-CD1 3.18Å; P133-L137 PolarHBondContact O-N 3.39Å
134	A	39.3	Very low	42.3	Very low	63 Å²	63	89.3 Å²	89.3	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-66.8	-39.7	-177.5	0	0	0	0	0	112.8	I131 A132 Q138	I131-A134 PolarHBondContact O-N 2.91Å; A132-A134 PolarHBondContact O-N 3.36Å; A134-Q138 PolarHBondContact O-N 2.71Å; A134-Q138 VanDerWaalsContact O-N 3.08Å
135	K	39.2	Very low	42.7	Very low	86 Å²	86	90.5 Å²	90.5	37%	0.374	47%	0.471	S	S	.	.	H	α-helix	trans	-75.9	-33.7	176.9	-76.8	-71.2	174.9	-168.6	0	112.8	I131 L137 Q138 S139	I131-K135 HydrophobicContact CG2-CG 4.2Å; I131-K135 PolarHBondContact O-N 2.96Å; I131-K135 VanDerWaalsContact O-N 3.1Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-Q138 PolarHBondContact O-N 2.79Å; K135-S139 PolarHBondContact O-N 3.15Å; K135-S139 PolarHBondContact O-OG 3.45Å
136	F	38.9	Very low	42.5	Very low	139 Å²	139	87.7 Å²	87.7	61%	0.61	45%	0.454	S	S	*	.	H	α-helix	trans	-62.5	-43.7	170.3	-168.8	-106	0	0	0	110.6	A132 P133 Q138 S139 L140	A132-F136 WeakPolarHBondContact O-CB 3.41Å; A132-F136 PolarHBondContact O-N 3.01Å; P133-F136 PolarHBondContact O-N 3.33Å; F136-Q138 PolarHBondContact O-N 3.27Å; F136-S139 WeakPolarHBondContact O-CB 3.24Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-L140 HydrophobicContact CD1-CD1 3.54Å; F136-L140 HydrophobicContact CD1-CG 4.29Å; F136-L140 HydrophobicContact CE1-CD1 3.43Å; F136-L140 VanDerWaalsContact CE1-CD1 3.43Å; F136-L140 HydrophobicContact CE1-CG 4.12Å; F136-L140 HydrophobicContact CG-CD1 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.27Å; F136-L140 WeakPolarHBondContact O-CB 3.34Å; F136-L140 PolarHBondContact O-N 2.83Å
137	L	43.3	Very low	42.9	Very low	97 Å²	97	81.6 Å²	81.6	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-56.9	-48.8	172.1	-108.4	109	0	0	0	112.4	P133 K135 S139 L140 D141	P133-L137 WeakPolarHBondContact O-CB 3.33Å; P133-L137 WeakPolarHBondContact O-CD1 3.18Å; P133-L137 PolarHBondContact O-N 3.39Å; K135-L137 VanDerWaalsContact C-N 3.34Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.15Å; L137-L140 CarbonylContact O-C 3.53Å; L137-L140 WeakPolarHBondContact O-CB 3.5Å; L137-L140 PolarHBondContact O-N 2.87Å; L137-D141 WeakPolarHBondContact O-CB 3.21Å; L137-D141 PolarHBondContact O-N 3.14Å
138	Q	44.6	Very low	43.2	Very low	104 Å²	104	81 Å²	81	49%	0.486	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-34.5	179.9	-168.5	176.8	26.8	0	0	113.1	A134 K135 F136 D141 S142	A134-Q138 PolarHBondContact O-N 2.71Å; A134-Q138 VanDerWaalsContact O-N 3.08Å; K135-Q138 PolarHBondContact O-N 2.79Å; F136-Q138 PolarHBondContact O-N 3.27Å; Q138-D141 PolarHBondContact O-N 2.7Å; Q138-S142 PolarHBondContact O-N 2.77Å; Q138-S142 PolarHBondContact O-OG 2.87Å
139	S	43.9	Very low	44.3	Very low	20 Å²	20	82.8 Å²	82.8	14%	0.14	44%	0.443	C	S	.	.	H	α-helix	trans	-68.4	-45.9	174.4	-49.9	0	0	0	0	110.9	P112 K135 F136 L137 D141 S142 L143	P112-S139 WeakPolarHBondContact CB-OG 3.05Å; P112-S139 WeakPolarHBondContact CD-OG 3.34Å; P112-S139 WeakPolarHBondContact CG-OG 3.14Å; K135-S139 PolarHBondContact O-N 3.15Å; K135-S139 PolarHBondContact O-OG 3.45Å; F136-S139 WeakPolarHBondContact O-CB 3.24Å; F136-S139 PolarHBondContact O-N 2.91Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 3.15Å; S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 2.82Å; S139-S142 PolarHBondContact O-N 3.38Å; S139-L143 WeakPolarHBondContact O-CB 2.94Å; S139-L143 WeakPolarHBondContact O-CG 3.5Å; S139-L143 PolarHBondContact O-N 3.45Å
140	L	43.9	Very low	45.9	Very low	66 Å²	66	75.4 Å²	75.4	35%	0.346	41%	0.412	S	S	.	.	H	α-helix	trans	-57.2	-41.5	171.9	-84.1	168.5	0	0	0	110.9	F136 L137 L143 K144	F136-L140 HydrophobicContact CD1-CD1 3.54Å; F136-L140 HydrophobicContact CD1-CG 4.29Å; F136-L140 HydrophobicContact CE1-CD1 3.43Å; F136-L140 VanDerWaalsContact CE1-CD1 3.43Å; F136-L140 HydrophobicContact CE1-CG 4.12Å; F136-L140 HydrophobicContact CG-CD1 4.47Å; F136-L140 HydrophobicContact CZ-CD1 4.27Å; F136-L140 WeakPolarHBondContact O-CB 3.34Å; F136-L140 PolarHBondContact O-N 2.83Å; L137-L140 CarbonylContact O-C 3.53Å; L137-L140 WeakPolarHBondContact O-CB 3.5Å; L137-L140 PolarHBondContact O-N 2.87Å; L140-L143 PolarHBondContact O-N 2.83Å; L140-K144 VanDerWaalsContact O-CB 3.25Å; L140-K144 WeakPolarHBondContact O-CB 2.98Å; L140-K144 WeakPolarHBondContact O-CG 3.41Å; L140-K144 PolarHBondContact O-N 3.32Å
141	D	47.1	Very low	47.4	Very low	76 Å²	76	75.6 Å²	75.6	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-70.7	-35	179.8	-66.7	-23.7	0	0	0	112.1	L137 Q138 S139 K144 H145	L137-D141 WeakPolarHBondContact O-CB 3.21Å; L137-D141 PolarHBondContact O-N 3.14Å; Q138-D141 PolarHBondContact O-N 2.7Å; S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 2.82Å; D141-K144 IonicContact OD1-NZ 2.99Å; D141-K144 PolarHBondContact OD1-NZ 2.74Å; D141-H145 WeakPolarHBondContact O-CB 3.33Å; D141-H145 PolarHBondContact O-N 2.91Å
142	S	47.9	Very low	49.7	Very low	64 Å²	64	73.7 Å²	73.7	45%	0.448	40%	0.395	S	S	.	.	H	α-helix	trans	-68	-42.5	172.7	-57.4	0	0	0	0	111.8	Q138 S139 H145 M146	Q138-S142 PolarHBondContact O-N 2.77Å; Q138-S142 PolarHBondContact O-OG 2.87Å; S139-S142 PolarHBondContact O-N 3.38Å; S142-H145 PolarHBondContact O-N 2.73Å; S142-M146 WeakPolarHBondContact O-CG 3.33Å; S142-M146 PolarHBondContact O-N 3.26Å
143	L	44.7	Very low	52.1	Low	65 Å²	65	71.7 Å²	71.7	34%	0.34	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-47.9	172.9	-74.7	169.9	0	0	0	110.5	S139 L140 H145 M146 F147	S139-L143 WeakPolarHBondContact O-CB 2.94Å; S139-L143 WeakPolarHBondContact O-CG 3.5Å; S139-L143 PolarHBondContact O-N 3.45Å; L140-L143 PolarHBondContact O-N 2.83Å; L143-H145 VanDerWaalsContact C-N 3.27Å; L143-H145 PolarHBondContact O-N 2.79Å; L143-M146 HydrophobicContact CD2-CE 3.81Å; L143-M146 PolarHBondContact O-N 2.74Å; L143-F147 HydrophobicContact CB-CD2 4.18Å; L143-F147 HydrophobicContact CB-CE2 3.75Å; L143-F147 HydrophobicContact CB-CZ 4.19Å; L143-F147 HydrophobicContact CD2-CE1 4.44Å; L143-F147 HydrophobicContact CD2-CE2 4.28Å; L143-F147 HydrophobicContact CD2-CZ 3.86Å; L143-F147 HydrophobicContact CG-CE2 4.5Å; L143-F147 WeakPolarHBondContact O-CB 2.98Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.32Å; L143-F147 PolarHBondContact O-N 2.79Å
144	K	46.7	Very low	54.5	Low	115 Å²	115	68.5 Å²	68.5	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-43.2	172.9	-76.8	171.9	-167.6	165.4	0	111	L140 D141 F147 S148	L140-K144 VanDerWaalsContact O-CB 3.25Å; L140-K144 WeakPolarHBondContact O-CB 2.98Å; L140-K144 WeakPolarHBondContact O-CG 3.41Å; L140-K144 PolarHBondContact O-N 3.32Å; D141-K144 IonicContact OD1-NZ 2.99Å; D141-K144 PolarHBondContact OD1-NZ 2.74Å; K144-F147 PolarHBondContact O-N 3.31Å; K144-S148 WeakPolarHBondContact O-CB 3.3Å; K144-S148 PolarHBondContact O-N 3.4Å; K144-S148 PolarHBondContact O-OG 3.24Å
145	H	49.1	Very low	56.5	Low	116 Å²	116	66.2 Å²	66.2	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-47.7	178.6	-173.2	67.2	0	0	0	112	D141 S142 L143 F147 S148 N149	D141-H145 WeakPolarHBondContact O-CB 3.33Å; D141-H145 PolarHBondContact O-N 2.91Å; S142-H145 PolarHBondContact O-N 2.73Å; L143-H145 VanDerWaalsContact C-N 3.27Å; L143-H145 PolarHBondContact O-N 2.79Å; H145-F147 VanDerWaalsContact C-N 3.33Å; H145-F147 PolarHBondContact O-N 2.92Å; H145-S148 WeakPolarHBondContact CA-OG 3.28Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.81Å; H145-N149 PolarHBondContact CE1-ND2 3.4Å; H145-N149 PolarHBondContact NE2-ND2 3.37Å; H145-N149 PolarHBondContact O-N 2.71Å; H145-N149 PolarHBondContact O-ND2 3.37Å
146	M	47.9	Very low	58.3	Low	89 Å²	89	65.8 Å²	65.8	44%	0.438	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-48.3	173.7	-72.4	-166.9	-61.7	0	0	110.9	S142 L143 S148 N149 T150	S142-M146 WeakPolarHBondContact O-CG 3.33Å; S142-M146 PolarHBondContact O-N 3.26Å; L143-M146 HydrophobicContact CD2-CE 3.81Å; L143-M146 PolarHBondContact O-N 2.74Å; M146-S148 VanDerWaalsContact C-N 3.29Å; M146-S148 PolarHBondContact O-N 2.93Å; M146-N149 PolarHBondContact O-N 2.83Å; M146-N149 VanDerWaalsContact O-N 3.15Å; M146-T150 PolarHBondContact O-N 3.36Å; M146-T150 VanDerWaalsContact O-N 3.09Å; M146-T150 PolarHBondContact O-OG1 3.15Å
147	F	49.3	Very low	60.1	Low	59 Å²	59	61.6 Å²	61.6	26%	0.259	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-30.2	178.9	-64.3	-21.5	0	0	0	113.8	L143 K144 H145 N149 R416	L143-F147 HydrophobicContact CB-CD2 4.18Å; L143-F147 HydrophobicContact CB-CE2 3.75Å; L143-F147 HydrophobicContact CB-CZ 4.19Å; L143-F147 HydrophobicContact CD2-CE1 4.44Å; L143-F147 HydrophobicContact CD2-CE2 4.28Å; L143-F147 HydrophobicContact CD2-CZ 3.86Å; L143-F147 HydrophobicContact CG-CE2 4.5Å; L143-F147 WeakPolarHBondContact O-CB 2.98Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.32Å; L143-F147 PolarHBondContact O-N 2.79Å; K144-F147 PolarHBondContact O-N 3.31Å; H145-F147 VanDerWaalsContact C-N 3.33Å; H145-F147 PolarHBondContact O-N 2.92Å; F147-N149 VanDerWaalsContact C-N 3.26Å; F147-N149 PolarHBondContact O-N 2.67Å; F147-R416 HydrophobicContact CD1-CG 4.05Å; F147-R416 VanDerWaalsContact CE1-CD 3.41Å; F147-R416 HydrophobicContact CE1-CG 3.97Å
148	S	52.4	Low	61.5	Low	81 Å²	81	58.7 Å²	58.7	57%	0.566	31%	0.309	S	S	*	.	H	α-helix	trans	-70.9	-23.7	176.9	69.1	0	0	0	0	112.9	K144 H145 M146	K144-S148 WeakPolarHBondContact O-CB 3.3Å; K144-S148 PolarHBondContact O-N 3.4Å; K144-S148 PolarHBondContact O-OG 3.24Å; H145-S148 WeakPolarHBondContact CA-OG 3.28Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 PolarHBondContact O-OG 2.81Å; M146-S148 VanDerWaalsContact C-N 3.29Å; M146-S148 PolarHBondContact O-N 2.93Å
149	N	61	Low	63.1	Low	98 Å²	98	59.3 Å²	59.3	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-105.2	-12.3	-176.9	-66.4	-30.4	0	0	0	113.6	H145 M146 F147 Q151	H145-N149 PolarHBondContact CE1-ND2 3.4Å; H145-N149 PolarHBondContact NE2-ND2 3.37Å; H145-N149 PolarHBondContact O-N 2.71Å; H145-N149 PolarHBondContact O-ND2 3.37Å; M146-N149 PolarHBondContact O-N 2.83Å; M146-N149 VanDerWaalsContact O-N 3.15Å; F147-N149 VanDerWaalsContact C-N 3.26Å; F147-N149 PolarHBondContact O-N 2.67Å; N149-Q151 PolarHBondContact O-N 3.47Å
150	T	70.6	Confident	64.9	Low	18 Å²	18	62.1 Å²	62.1	11%	0.11	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.1	126.5	176.2	-51.8	0	0	0	0	110.3	M146 V319 S323 R416 P419	M146-T150 PolarHBondContact O-N 3.36Å; M146-T150 VanDerWaalsContact O-N 3.09Å; M146-T150 PolarHBondContact O-OG1 3.15Å; T150-V319 HydrophobicContact CG2-CG1 3.5Å; T150-V319 VanDerWaalsContact CG2-CG1 3.5Å; T150-S323 WeakPolarHBondContact O-CB 3.4Å; T150-R416 WeakPolarHBondContact CG2-O 3.22Å; T150-P419 HydrophobicContact CG2-CB 4.41Å; T150-P419 HydrophobicContact CG2-CG 3.63Å
151	Q	75.8	Confident	66.9	Low	75 Å²	75	62.1 Å²	62.1	35%	0.35	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-99	142.4	-179.4	-57.9	-171.4	2.6	0	0	111.3	N149 E327 P419	N149-Q151 PolarHBondContact O-N 3.47Å; Q151-E327 PolarHBondContact NE2-OE2 3.05Å; Q151-P419 WeakPolarHBondContact O-CG 3.49Å
152	N	83.2	Confident	68.8	Low	1 Å²	1	65.4 Å²	65.4	1%	0.005	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-65.6	125.7	168.2	-173	-59.2	0	0	0	109.4	F154 L155 V319 S320 S323	N152-F154 PolarHBondContact O-N 2.69Å; N152-F154 WeakPolarHBondContact OD1-CB 3.21Å; N152-F154 WeakPolarHBondContact OD1-CD2 3.22Å; N152-F154 PolarHBondContact OD1-N 3.32Å; N152-L155 HydrophobicContact CB-CB 4.38Å; N152-L155 HydrophobicContact CB-CD1 4.09Å; N152-L155 HydrophobicContact CB-CG 4.08Å; N152-L155 PolarHBondContact O-N 3.25Å; N152-L155 VanDerWaalsContact O-N 3.15Å; N152-V319 HydrophobicContact CB-CG2 4.5Å; N152-S320 PolarHBondContact ND2-O 3.1Å; N152-S323 VanDerWaalsContact CB-O 3.25Å; N152-S323 WeakPolarHBondContact CB-O 3.38Å; N152-S323 PolarHBondContact N-O 3.23Å
153	P	86.7	Confident	70.7	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.032	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.9	-174.7	26.2	-36.9	0	0	0	113.3	R168 D420 L436 S437	P153-R168 PolarHBondContact O-NH2 3.35Å; P153-D420 HydrophobicContact CB-CB 4.24Å; P153-L436 HydrophobicContact CB-CB 4Å; P153-L436 HydrophobicContact CG-CB 4.21Å; P153-S437 WeakPolarHBondContact O-CA 3.43Å
154	F	88.9	Confident	72.9	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-14.1	-176.6	-52.2	-50.2	0	0	0	114	N152 F165 L172 F173 I317 H351 I363 L393 L436	N152-F154 PolarHBondContact O-N 2.69Å; N152-F154 WeakPolarHBondContact OD1-CB 3.21Å; N152-F154 WeakPolarHBondContact OD1-CD2 3.22Å; N152-F154 PolarHBondContact OD1-N 3.32Å; F154-F165 WeakPolarHBondContact O-CE2 3.44Å; F154-L172 HydrophobicContact CB-CD1 4.14Å; F154-L172 HydrophobicContact CD1-CD1 3.33Å; F154-L172 HydrophobicContact CD2-CD1 3.75Å; F154-L172 HydrophobicContact CE1-CD1 3.51Å; F154-L172 HydrophobicContact CE2-CD1 3.91Å; F154-L172 HydrophobicContact CG-CD1 3.45Å; F154-L172 VanDerWaalsContact CG-CD1 3.45Å; F154-L172 HydrophobicContact CZ-CD1 3.8Å; F154-F173 HydrophobicContact CB-CE2 3.75Å; F154-F173 HydrophobicContact CB-CZ 4.32Å; F154-I317 HydrophobicContact CE2-CD1 4.31Å; F154-I317 HydrophobicContact CE2-CG1 4.21Å; F154-I317 HydrophobicContact CZ-CD1 4.34Å; F154-H351 HydrophobicContact CE2-CB 4.24Å; F154-H351 AromaticContact CE2-CG 3.97Å; F154-I363 HydrophobicContact CE2-CG2 4.21Å; F154-I363 HydrophobicContact CZ-CD1 4.32Å; F154-I363 HydrophobicContact CZ-CG2 4.02Å; F154-L393 HydrophobicContact CE1-CD2 4.27Å; F154-L436 HydrophobicContact CE1-CB 3.91Å; F154-L436 HydrophobicContact CZ-CB 4.24Å; F154-L436 HydrophobicContact CZ-CD1 4.21Å
155	L	81.9	Confident	74.9	Confident	15 Å²	15	59 Å²	59	8%	0.079	34%	0.335	C	S	.	.	S	Bend	trans	-89.9	-3	177	-65.5	-175.8	0	0	0	113.4	N152 F173 P321 L328 V345	N152-L155 HydrophobicContact CB-CB 4.38Å; N152-L155 HydrophobicContact CB-CD1 4.09Å; N152-L155 HydrophobicContact CB-CG 4.08Å; N152-L155 PolarHBondContact O-N 3.25Å; N152-L155 VanDerWaalsContact O-N 3.15Å; L155-F173 HydrophobicContact CD2-CD2 4.42Å; L155-F173 HydrophobicContact CD2-CE1 4.34Å; L155-F173 HydrophobicContact CD2-CE2 3.71Å; L155-F173 HydrophobicContact CD2-CZ 3.66Å; L155-F173 HydrophobicContact CG-CE2 4.37Å; L155-F173 HydrophobicContact CG-CZ 4.05Å; L155-P321 WeakPolarHBondContact CD1-O 3.36Å; L155-L328 HydrophobicContact CB-CD2 4.49Å; L155-L328 HydrophobicContact CD1-CD2 4.49Å; L155-L328 HydrophobicContact CD2-CD2 4.13Å; L155-V345 HydrophobicContact CD2-CG2 4.24Å
156	F	76.1	Confident	76.8	Confident	77 Å²	77	57.2 Å²	57.2	34%	0.338	33%	0.328	S	S	.	.			trans	-91.2	130.3	176.9	-176.7	-106.3	0	0	0	111.9	P158 F165 R168	F156-P158 HydrophobicContact CD1-CG 4.11Å; F156-P158 HydrophobicContact CE1-CB 4.09Å; F156-P158 HydrophobicContact CE1-CG 3.68Å; F156-F165 WeakPolarHBondContact O-CD2 3.26Å; F156-R168 PolarHBondContact O-NH2 2.77Å; F156-R168 VanDerWaalsContact O-NH2 3.1Å
157	C	76.6	Confident	78.7	Confident	52 Å²	52	55.1 Å²	55.1	35%	0.351	32%	0.322	S	S	.	.			trans	-122	108.5	172.2	-174.2	0	0	0	0	109.6	F165	C157-F165 HydrophobicContact CB-CB 4.18Å; C157-F165 HydrophobicContact CB-CD1 4.06Å; C157-F165 HydrophobicContact CB-CD2 3.57Å; C157-F165 HydrophobicContact CB-CE1 4.35Å; C157-F165 HydrophobicContact CB-CE2 3.89Å; C157-F165 HydrophobicContact CB-CG 3.66Å; C157-F165 HydrophobicContact CB-CZ 4.27Å; C157-F165 VanDerWaalsContact SG-CB 3.6Å
158	P	74.1	Confident	80.7	Confident	36 Å²	36	52.4 Å²	52.4	23%	0.234	31%	0.31	C	S	.	.			trans	-65.9	154.3	166.8	-0	13.3	0	0	0	110.9	F156 G160 Y161	F156-P158 HydrophobicContact CD1-CG 4.11Å; F156-P158 HydrophobicContact CE1-CB 4.09Å; F156-P158 HydrophobicContact CE1-CG 3.68Å; P158-G160 PolarHBondContact O-N 3.35Å; P158-Y161 HydrophobicContact CB-CD2 4.06Å; P158-Y161 HydrophobicContact CG-CD2 4.15Å; P158-Y161 PolarHBondContact O-N 3.45Å
159	S	76.8	Confident	82.3	Confident	117 Å²	117	49.6 Å²	49.6	82%	0.818	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	134.7	175.2	52.1	0	0	0	0	111.1
160	G	82.6	Confident	83.5	Confident	79 Å²	79	52.4 Å²	52.4	81%	0.814	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-16.2	177.4	0	0	0	0	0	115.7	P158	P158-G160 PolarHBondContact O-N 3.35Å
161	Y	86	Confident	84.4	Confident	65 Å²	65	51.7 Å²	51.7	26%	0.255	29%	0.291	S	S	.	.			trans	-106.4	29.2	-175.4	-62.4	-74.8	0	0	0	114.3	P158 S163 N164 F165 L439	P158-Y161 HydrophobicContact CB-CD2 4.06Å; P158-Y161 HydrophobicContact CG-CD2 4.15Å; P158-Y161 PolarHBondContact O-N 3.45Å; Y161-S163 VanDerWaalsContact C-N 3.34Å; Y161-S163 PolarHBondContact O-N 3.45Å; Y161-N164 PolarHBondContact O-N 2.79Å; Y161-F165 WeakPolarHBondContact O-CB 3.47Å; Y161-F165 PolarHBondContact O-N 2.84Å; Y161-L439 HydrophobicContact CD1-CB 4.34Å; Y161-L439 WeakPolarHBondContact CD1-O 2.96Å; Y161-L439 WeakPolarHBondContact CE1-O 3.19Å; Y161-L439 HydrophobicContact CG-CB 4Å
162	K	86.3	Confident	85.1	Confident	146 Å²	146	48.1 Å²	48.1	64%	0.635	27%	0.274	S	S	*	.	H	α-helix	trans	-58.4	-41.8	-173.5	-173	177.8	-179.6	178.7	0	112.8	M166	K162-M166 WeakPolarHBondContact O-CG 3.48Å; K162-M166 PolarHBondContact O-N 2.85Å
163	S	88	Confident	85.3	Confident	80 Å²	80	48.1 Å²	48.1	56%	0.559	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-52	177.8	49.2	0	0	0	0	111.6	Y161 F165 M166 C167	Y161-S163 VanDerWaalsContact C-N 3.34Å; Y161-S163 PolarHBondContact O-N 3.45Å; S163-F165 VanDerWaalsContact C-N 3.33Å; S163-F165 PolarHBondContact O-N 3.26Å; S163-M166 PolarHBondContact O-N 2.94Å; S163-M166 VanDerWaalsContact O-N 3.14Å; S163-C167 PolarHBondContact O-N 3.16Å; S163-C167 PolarHBondContact O-SG 3.49Å
164	N	90.9	Very high	84.8	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-43.2	178.8	-73.4	-1.9	0	0	0	111.7	Y161 M166 C167 R168 L439 D441 Y444 S446	Y161-N164 PolarHBondContact O-N 2.79Å; N164-M166 PolarHBondContact O-N 2.86Å; N164-C167 PolarHBondContact O-N 3.08Å; N164-R168 PolarHBondContact O-N 3.37Å; N164-L439 HydrophobicContact CB-CB 4.22Å; N164-L439 HydrophobicContact CB-CD2 4.09Å; N164-L439 PolarHBondContact ND2-O 3.38Å; N164-D441 PolarHBondContact ND2-OD1 3.19Å; N164-Y444 HydrophobicContact CB-CD1 3.77Å; N164-Y444 HydrophobicContact CB-CE1 3.58Å; N164-S446 VanDerWaalsContact OD1-CB 3.26Å; N164-S446 WeakPolarHBondContact OD1-CB 3.24Å; N164-S446 PolarHBondContact OD1-OG 2.95Å; N164-S446 VanDerWaalsContact OD1-OG 3.12Å
165	F	89.8	Confident	83.7	Confident	23 Å²	23	51.9 Å²	51.9	10%	0.101	30%	0.297	C	S	.	.	H	α-helix	trans	-57.1	-47.5	173.8	177	-103.5	0	0	0	111.8	F154 F156 C157 Y161 S163 C167 R168 K169 L439	F154-F165 WeakPolarHBondContact O-CE2 3.44Å; F156-F165 WeakPolarHBondContact O-CD2 3.26Å; C157-F165 HydrophobicContact CB-CB 4.18Å; C157-F165 HydrophobicContact CB-CD1 4.06Å; C157-F165 HydrophobicContact CB-CD2 3.57Å; C157-F165 HydrophobicContact CB-CE1 4.35Å; C157-F165 HydrophobicContact CB-CE2 3.89Å; C157-F165 HydrophobicContact CB-CG 3.66Å; C157-F165 HydrophobicContact CB-CZ 4.27Å; C157-F165 VanDerWaalsContact SG-CB 3.6Å; Y161-F165 WeakPolarHBondContact O-CB 3.47Å; Y161-F165 PolarHBondContact O-N 2.84Å; S163-F165 VanDerWaalsContact C-N 3.33Å; S163-F165 PolarHBondContact O-N 3.26Å; F165-C167 PolarHBondContact O-N 3.25Å; F165-R168 PolarHBondContact O-N 2.55Å; F165-K169 HydrophobicContact CE1-CD 4.36Å; F165-K169 VanDerWaalsContact O-CB 3.24Å; F165-K169 WeakPolarHBondContact O-CB 3.34Å; F165-K169 PolarHBondContact O-N 2.75Å; F165-L439 HydrophobicContact CB-CD1 3.67Å; F165-L439 HydrophobicContact CD2-CD1 4.11Å; F165-L439 HydrophobicContact CG-CD1 4.4Å
166	M	87.3	Confident	83	Confident	79 Å²	79	55.4 Å²	55.4	39%	0.389	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-36.3	-179.5	-67	-63.6	-87.7	0	0	112.4	K162 S163 N164 K170	K162-M166 WeakPolarHBondContact O-CG 3.48Å; K162-M166 PolarHBondContact O-N 2.85Å; S163-M166 PolarHBondContact O-N 2.94Å; S163-M166 VanDerWaalsContact O-N 3.14Å; N164-M166 PolarHBondContact O-N 2.86Å; M166-K170 WeakPolarHBondContact O-CG 3.41Å; M166-K170 PolarHBondContact O-N 3.31Å
167	C	88.8	Confident	82.6	Confident	45 Å²	45	54 Å²	54	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-50.3	174.1	-69.2	0	0	0	0	111.8	S163 N164 F165 K169 K170 A171	S163-C167 PolarHBondContact O-N 3.16Å; S163-C167 PolarHBondContact O-SG 3.49Å; N164-C167 PolarHBondContact O-N 3.08Å; F165-C167 PolarHBondContact O-N 3.25Å; C167-K169 VanDerWaalsContact C-N 3.32Å; C167-K169 PolarHBondContact O-N 2.85Å; C167-K170 PolarHBondContact O-N 2.78Å; C167-A171 PolarHBondContact O-N 3.27Å
168	R	90.7	Very high	82.6	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-42.8	176.3	-173.2	175.8	70.4	-168.5	-2.7	111.6	P153 F156 N164 F165 A171 L172 L436 S437 S438 L439 Y444	P153-R168 PolarHBondContact O-NH2 3.35Å; F156-R168 PolarHBondContact O-NH2 2.77Å; F156-R168 VanDerWaalsContact O-NH2 3.1Å; N164-R168 PolarHBondContact O-N 3.37Å; F165-R168 PolarHBondContact O-N 2.55Å; R168-A171 PolarHBondContact O-N 2.85Å; R168-L172 HydrophobicContact CG-CD1 3.65Å; R168-L172 HydrophobicContact CG-CG 4.31Å; R168-L172 PolarHBondContact O-N 3.25Å; R168-L436 PolarHBondContact NH1-O 3Å; R168-S437 VanDerWaalsContact NH1-C 3.25Å; R168-S437 PolarHBondContact NH1-O 3.37Å; R168-S438 PolarHBondContact NH1-O 3.48Å; R168-L439 HydrophobicContact CB-CD2 4.34Å; R168-L439 VanDerWaalsContact CZ-CD2 3.45Å; R168-Y444 HydrophobicContact CB-CE2 4.47Å; R168-Y444 PolarHBondContact N-OH 3.34Å
169	K	86.2	Confident	83	Confident	21 Å²	21	50.2 Å²	50.2	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-47.5	177.9	-173.4	-169.8	178.5	-148.1	0	111.5	F165 C167 A171 L172 F173 M340 E344	F165-K169 HydrophobicContact CE1-CD 4.36Å; F165-K169 VanDerWaalsContact O-CB 3.24Å; F165-K169 WeakPolarHBondContact O-CB 3.34Å; F165-K169 PolarHBondContact O-N 2.75Å; C167-K169 VanDerWaalsContact C-N 3.32Å; C167-K169 PolarHBondContact O-N 2.85Å; K169-A171 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 2.8Å; K169-F173 HydrophobicContact CG-CB 4.42Å; K169-F173 HydrophobicContact CG-CD2 4.25Å; K169-F173 CarbonylContact O-C 3.25Å; K169-F173 WeakPolarHBondContact O-CA 3.43Å; K169-F173 PolarHBondContact O-N 3.41Å; K169-M340 PolarHBondContact NZ-O 3.06Å; K169-E344 WeakPolarHBondContact CE-OE2 3.3Å; K169-E344 IonicContact NZ-OE1 3.96Å; K169-E344 IonicContact NZ-OE2 2.87Å; K169-E344 PolarHBondContact NZ-OE2 3.47Å
170	K	86.4	Confident	83.2	Confident	158 Å²	158	48.3 Å²	48.3	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-57.8	-33.7	177.3	-77	176.8	179.3	-176.6	0	112.7	M166 C167	M166-K170 WeakPolarHBondContact O-CG 3.41Å; M166-K170 PolarHBondContact O-N 3.31Å; C167-K170 PolarHBondContact O-N 2.78Å
171	A	88.8	Confident	82.7	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-77.7	-41	177.9	0	0	0	0	0	113	C167 R168 K169 N390	C167-A171 PolarHBondContact O-N 3.27Å; R168-A171 PolarHBondContact O-N 2.85Å; K169-A171 PolarHBondContact O-N 2.92Å; A171-N390 WeakPolarHBondContact CB-O 3.48Å
172	L	90.9	Very high	81.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-99.4	-8.7	-171.2	-60.9	-179.7	0	0	0	114.6	F154 R168 K169 H351 I363 S365 L393	F154-L172 HydrophobicContact CB-CD1 4.14Å; F154-L172 HydrophobicContact CD1-CD1 3.33Å; F154-L172 HydrophobicContact CD2-CD1 3.75Å; F154-L172 HydrophobicContact CE1-CD1 3.51Å; F154-L172 HydrophobicContact CE2-CD1 3.91Å; F154-L172 HydrophobicContact CG-CD1 3.45Å; F154-L172 VanDerWaalsContact CG-CD1 3.45Å; F154-L172 HydrophobicContact CZ-CD1 3.8Å; R168-L172 HydrophobicContact CG-CD1 3.65Å; R168-L172 HydrophobicContact CG-CG 4.31Å; R168-L172 PolarHBondContact O-N 3.25Å; K169-L172 PolarHBondContact O-N 2.8Å; L172-H351 PolarHBondContact O-NE2 3.41Å; L172-I363 HydrophobicContact CD2-CG2 4.31Å; L172-I363 WeakPolarHBondContact CD2-O 3.4Å; L172-S365 VanDerWaalsContact O-CB 3.29Å; L172-S365 WeakPolarHBondContact O-CB 3.1Å; L172-L393 HydrophobicContact CD1-CB 4.5Å; L172-L393 HydrophobicContact CD2-CB 4.11Å
173	F	87.1	Confident	80.3	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	26%	0.255	C	S	.	.	S	Bend	trans	-139.6	64.4	173.1	-61	-84	0	0	0	109.5	F154 L155 K169 P321 E344 V345 V348 H351	F154-F173 HydrophobicContact CB-CE2 3.75Å; F154-F173 HydrophobicContact CB-CZ 4.32Å; L155-F173 HydrophobicContact CD2-CD2 4.42Å; L155-F173 HydrophobicContact CD2-CE1 4.34Å; L155-F173 HydrophobicContact CD2-CE2 3.71Å; L155-F173 HydrophobicContact CD2-CZ 3.66Å; L155-F173 HydrophobicContact CG-CE2 4.37Å; L155-F173 HydrophobicContact CG-CZ 4.05Å; K169-F173 HydrophobicContact CG-CB 4.42Å; K169-F173 HydrophobicContact CG-CD2 4.25Å; K169-F173 CarbonylContact O-C 3.25Å; K169-F173 WeakPolarHBondContact O-CA 3.43Å; K169-F173 PolarHBondContact O-N 3.41Å; F173-P321 HydrophobicContact CE1-CB 4.45Å; F173-E344 HydrophobicContact CB-CB 4.44Å; F173-V345 HydrophobicContact CD1-CB 4.49Å; F173-V345 HydrophobicContact CD1-CG2 3.88Å; F173-V345 HydrophobicContact CE1-CG1 4.38Å; F173-V345 HydrophobicContact CE1-CG2 3.9Å; F173-V348 HydrophobicContact CD1-CB 4.4Å; F173-V348 HydrophobicContact CD1-CG2 3.83Å; F173-H351 AromaticContact CE1-CE1 3.5Å; F173-H351 AromaticContact CE1-NE2 3.8Å; F173-H351 AromaticContact CZ-CE1 3.42Å; F173-H351 VanDerWaalsContact CZ-CE1 3.42Å; F173-H351 WeakPolarHBondContact CZ-CE1 3Å; F173-H351 AromaticContact CZ-NE2 3.74Å
174	P	77.6	Confident	78.7	Confident	20 Å²	20	44.6 Å²	44.6	13%	0.13	26%	0.256	C	S	.	.			trans	-69.2	136.2	-174.2	28.8	-34.3	0	0	0	111.6	A178 S365	P174-A178 HydrophobicContact CB-CB 3.44Å; P174-A178 VanDerWaalsContact CB-CB 3.44Å; P174-A178 HydrophobicContact CG-CB 3.65Å; P174-S365 WeakPolarHBondContact CD-OG 3.49Å
175	T	65	Low	77.1	Confident	64 Å²	64	53 Å²	53	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-75.7	-40.2	176	45.7	0	0	0	0	112.6	E344 R347	T175-E344 VanDerWaalsContact CG2-CD 3.43Å; T175-E344 HydrophobicContact CG2-CG 3.45Å; T175-E344 VanDerWaalsContact CG2-CG 3.45Å; T175-E344 WeakPolarHBondContact CG2-OE1 2.96Å; T175-R347 PolarHBondContact O-NH1 2.86Å
176	S	66.6	Low	75.9	Confident	90 Å²	90	52.8 Å²	52.8	63%	0.629	29%	0.288	S	S	*	.	S	Bend	trans	-167.4	151.4	178.9	53.2	0	0	0	0	111.1	A178	S176-A178 VanDerWaalsContact C-N 3.35Å; S176-A178 PolarHBondContact O-N 2.59Å
177	G	67.5	Low	75.2	Confident	48 Å²	48	54.9 Å²	54.9	50%	0.495	30%	0.295	S	S	.	.	S	Bend	trans	81	-1.5	167.2	0	0	0	0	0	117	W179	G177-W179 VanDerWaalsContact C-N 3.29Å; G177-W179 PolarHBondContact O-N 2.97Å
178	A	78.1	Confident	74.4	Confident	3 Å²	3	60.4 Å²	60.4	3%	0.025	31%	0.314	C	S	.	.	S	Bend	trans	-62.7	-39.7	172.8	0	0	0	0	0	112.1	P174 S176 L387 S388 C391	P174-A178 HydrophobicContact CB-CB 3.44Å; P174-A178 VanDerWaalsContact CB-CB 3.44Å; P174-A178 HydrophobicContact CG-CB 3.65Å; S176-A178 VanDerWaalsContact C-N 3.35Å; S176-A178 PolarHBondContact O-N 2.59Å; A178-L387 HydrophobicContact CB-CD1 4.39Å; A178-S388 VanDerWaalsContact O-CB 3.32Å; A178-S388 WeakPolarHBondContact O-CB 3.37Å; A178-S388 PolarHBondContact O-N 2.82Å; A178-S388 PolarHBondContact O-OG 2.78Å; A178-C391 HydrophobicContact CB-CB 3.77Å
179	W	82.2	Confident	73.9	Confident	5 Å²	5	64.8 Å²	64.8	2%	0.019	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.9	178	-64.9	103.5	0	0	0	109.9	G177 F302 I304 F364 S365 I366 M371 Y385 L387	G177-W179 VanDerWaalsContact C-N 3.29Å; G177-W179 PolarHBondContact O-N 2.97Å; W179-F302 HydrophobicContact CB-CZ 4.15Å; W179-F302 AromaticContact CD2-CE1 3.72Å; W179-F302 HydrophobicContact CD2-CE1 3.72Å; W179-F302 AromaticContact CD2-CZ 3.66Å; W179-F302 HydrophobicContact CD2-CZ 3.66Å; W179-F302 AromaticContact CE3-CE1 3.54Å; W179-F302 HydrophobicContact CE3-CE1 3.54Å; W179-F302 AromaticContact CE3-CZ 3.86Å; W179-F302 HydrophobicContact CE3-CZ 3.86Å; W179-F302 HydrophobicContact CG-CE1 4.36Å; W179-F302 AromaticContact CG-CZ 3.81Å; W179-F302 HydrophobicContact CG-CZ 3.81Å; W179-F302 HydrophobicContact CH2-CE1 4.08Å; W179-F302 HydrophobicContact CZ2-CE1 4.25Å; W179-F302 AromaticContact CZ3-CE1 3.72Å; W179-F302 HydrophobicContact CZ3-CE1 3.72Å; W179-F302 HydrophobicContact CZ3-CZ 4.48Å; W179-I304 HydrophobicContact CH2-CD1 3.83Å; W179-I304 HydrophobicContact CH2-CG1 3.93Å; W179-I304 HydrophobicContact CH2-CG2 4.18Å; W179-I304 HydrophobicContact CZ3-CB 4.43Å; W179-I304 HydrophobicContact CZ3-CD1 4.35Å; W179-I304 HydrophobicContact CZ3-CG1 3.94Å; W179-I304 HydrophobicContact CZ3-CG2 3.85Å; W179-F364 AromaticContact CH2-CD2 3.82Å; W179-F364 HydrophobicContact CH2-CD2 3.82Å; W179-F364 HydrophobicContact CH2-CE2 4.08Å; W179-F364 AromaticContact CZ2-CD2 3.93Å; W179-F364 HydrophobicContact CZ2-CD2 3.93Å; W179-S365 VanDerWaalsContact CZ2-O 3.26Å; W179-S365 WeakPolarHBondContact CZ2-O 3.49Å; W179-S365 PolarHBondContact NE1-O 3.33Å; W179-I366 HydrophobicContact CH2-CD1 4.45Å; W179-I366 HydrophobicContact CZ2-CD1 4.21Å; W179-M371 HydrophobicContact CB-CE 4.23Å; W179-Y385 HydrophobicContact CB-CD1 4.18Å; W179-L387 HydrophobicContact CD2-CD1 3.7Å; W179-L387 HydrophobicContact CE3-CB 4.05Å; W179-L387 HydrophobicContact CE3-CD1 3.77Å; W179-L387 HydrophobicContact CE3-CG 4.48Å; W179-L387 HydrophobicContact CG-CD1 4.38Å; W179-L387 HydrophobicContact CH2-CB 4.16Å; W179-L387 HydrophobicContact CH2-CD1 3.87Å; W179-L387 HydrophobicContact CH2-CD2 4.15Å; W179-L387 HydrophobicContact CH2-CG 4.3Å; W179-L387 HydrophobicContact CZ2-CD1 3.78Å; W179-L387 HydrophobicContact CZ2-CD2 4.48Å; W179-L387 HydrophobicContact CZ3-CB 3.68Å; W179-L387 HydrophobicContact CZ3-CD1 3.87Å; W179-L387 HydrophobicContact CZ3-CG 4.23Å
180	V	80.2	Confident	73.8	Confident	77 Å²	77	64.1 Å²	64.1	47%	0.467	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	125.7	174	-179.1	0	0	0	0	107	S182 Y385 T386 S388	V180-S182 PolarHBondContact O-N 3.27Å; V180-Y385 CarbonylContact O-C 3.59Å; V180-Y385 WeakPolarHBondContact O-CA 3.39Å; V180-T386 PolarHBondContact N-O 3.15Å; V180-T386 PolarHBondContact O-N 3.1Å; V180-S388 VanDerWaalsContact CG2-OG 3.28Å; V180-S388 WeakPolarHBondContact CG2-OG 3.45Å
181	R	73.4	Confident	73.7	Confident	60 Å²	60	57.7 Å²	57.7	23%	0.226	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	127	171.4	-169.1	175.9	178	175	-3.4	107.9	F373 Y385	R181-F373 PolarHBondContact NH1-O 2.86Å; R181-Y385 HydrophobicContact CB-CD1 4.4Å; R181-Y385 HydrophobicContact CB-CE1 4.41Å
182	S	65.7	Low	73.4	Confident	11 Å²	11	57.7 Å²	57.7	8%	0.077	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-55	140.2	171.7	-178.5	0	0	0	0	107.5	V180 I184 A384	V180-S182 PolarHBondContact O-N 3.27Å; S182-I184 PolarHBondContact O-N 2.9Å; S182-A384 PolarHBondContact N-O 3.22Å
183	P	56.3	Low	72.9	Confident	109 Å²	109	60.4 Å²	60.4	71%	0.708	32%	0.321	S	S	*	.	S	Bend	trans	-47.1	144.1	167.8	20.7	-31.2	0	0	0	108.1	Y185	P183-Y185 CarbonylContact O-C 3.52Å; P183-Y185 VanDerWaalsContact O-C 3.25Å; P183-Y185 WeakPolarHBondContact O-CA 3.36Å; P183-Y185 PolarHBondContact O-N 3.31Å
184	I	52.9	Low	72.5	Confident	112 Å²	112	62.6 Å²	62.6	57%	0.574	34%	0.335	S	S	*	.	S	Bend	trans	-35.1	-15	-159.5	-62.5	159.8	0	0	0	117.3	S182 S381	S182-I184 PolarHBondContact O-N 2.9Å; I184-S381 WeakPolarHBondContact O-CB 3.31Å; I184-S381 PolarHBondContact O-OG 2.79Å
185	Y	57.9	Low	72.8	Confident	181 Å²	181	64.7 Å²	64.7	71%	0.71	35%	0.349	S	S	*	.	S	Bend	trans	-122.5	128.3	171.8	-57.2	-79.1	0	0	0	111.7	P183 K187	P183-Y185 CarbonylContact O-C 3.52Å; P183-Y185 VanDerWaalsContact O-C 3.25Å; P183-Y185 WeakPolarHBondContact O-CA 3.36Å; P183-Y185 PolarHBondContact O-N 3.31Å; Y185-K187 PolarHBondContact O-N 3.34Å
186	I	64.6	Low	73.6	Confident	19 Å²	19	65.8 Å²	65.8	10%	0.097	35%	0.351	C	S	.	.			trans	-56.6	124.8	157.2	-57.6	166.4	0	0	0	106.2	K188 H190 L191 V278 I303 A384	I186-K188 PolarHBondContact O-N 3.29Å; I186-H190 HydrophobicContact CG2-CB 3.89Å; I186-L191 HydrophobicContact CB-CD1 4.18Å; I186-L191 HydrophobicContact CB-CD2 4.14Å; I186-L191 HydrophobicContact CB-CG 4.06Å; I186-L191 HydrophobicContact CD1-CD2 3.8Å; I186-L191 HydrophobicContact CG2-CD1 4.27Å; I186-L191 HydrophobicContact CG2-CD2 3.84Å; I186-L191 HydrophobicContact CG2-CG 3.65Å; I186-V278 HydrophobicContact CG2-CG1 4.39Å; I186-I303 HydrophobicContact CD1-CD1 3.97Å; I186-I303 HydrophobicContact CD1-CG2 3.95Å; I186-A384 HydrophobicContact CD1-CB 3.71Å; I186-A384 HydrophobicContact CG1-CB 3.28Å
187	K	72	Confident	74.1	Confident	122 Å²	122	61.8 Å²	61.8	53%	0.53	32%	0.323	S	S	.	.			trans	-50.6	129.9	173.3	-81.2	-174.5	-174.8	177.5	0	109.9	Y185 D189 H190	Y185-K187 PolarHBondContact O-N 3.34Å; K187-D189 WeakPolarHBondContact CB-OD1 3.31Å; K187-D189 PolarHBondContact O-N 3.48Å; K187-H190 WeakPolarHBondContact CB-CD2 3Å; K187-H190 WeakPolarHBondContact O-CB 3.16Å; K187-H190 PolarHBondContact O-N 3.13Å
188	K	73.4	Confident	74.3	Confident	161 Å²	161	61.5 Å²	61.5	70%	0.7	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.1	-173.5	-173.6	179.5	177.4	-177	0	112.7	I186 L191	I186-K188 PolarHBondContact O-N 3.29Å; K188-L191 PolarHBondContact O-N 2.88Å
189	D	79.4	Confident	73.5	Confident	95 Å²	95	66.3 Å²	66.3	51%	0.508	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.2	177.8	37.7	-50.7	0	0	0	114.4	K187 P276	K187-D189 WeakPolarHBondContact CB-OD1 3.31Å; K187-D189 PolarHBondContact O-N 3.48Å; D189-P276 HydrophobicContact CB-CG 4.38Å; D189-P276 WeakPolarHBondContact O-CG 3.19Å
190	H	83.8	Confident	72.4	Confident	7 Å²	7	67.4 Å²	67.4	3%	0.032	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26	172.1	-69.5	-117.8	0	0	0	112.3	I186 K187 P276 G277 V278 S305 H306 D307	I186-H190 HydrophobicContact CG2-CB 3.89Å; K187-H190 WeakPolarHBondContact CB-CD2 3Å; K187-H190 WeakPolarHBondContact O-CB 3.16Å; K187-H190 PolarHBondContact O-N 3.13Å; H190-P276 HydrophobicContact CB-CB 4.28Å; H190-P276 WeakPolarHBondContact CD2-CB 3.43Å; H190-P276 WeakPolarHBondContact NE2-CB 3.22Å; H190-G277 PolarHBondContact ND1-O 3.34Å; H190-V278 HydrophobicContact CB-CG1 4.09Å; H190-S305 PolarHBondContact CE1-OG 2.86Å; H190-S305 PolarHBondContact ND1-OG 2.96Å; H190-H306 PolarHBondContact CE1-O 2.94Å; H190-H306 PolarHBondContact ND1-O 2.99Å; H190-D307 IonicContact CE1-OD1 3.96Å; H190-D307 PolarHBondContact CE1-OD1 2.96Å; H190-D307 IonicContact NE2-OD1 3.53Å; H190-D307 PolarHBondContact NE2-OD1 2.72Å
191	L	84.7	Confident	70.7	Confident	24 Å²	24	71.2 Å²	71.2	13%	0.126	36%	0.358	C	S	.	.	S	Bend	trans	-76.7	136.3	-171	-76.4	166.9	0	0	0	111.9	I186 K188 R212	I186-L191 HydrophobicContact CB-CD1 4.18Å; I186-L191 HydrophobicContact CB-CD2 4.14Å; I186-L191 HydrophobicContact CB-CG 4.06Å; I186-L191 HydrophobicContact CD1-CD2 3.8Å; I186-L191 HydrophobicContact CG2-CD1 4.27Å; I186-L191 HydrophobicContact CG2-CD2 3.84Å; I186-L191 HydrophobicContact CG2-CG 3.65Å; K188-L191 PolarHBondContact O-N 2.88Å; L191-R212 VanDerWaalsContact CD1-NH2 3.35Å
192	P	82.9	Confident	69.4	Low	1 Å²	1	71 Å²	71	1%	0.006	37%	0.366	C	S	.	.			trans	-61.1	144.5	174.4	-21.6	31.4	0	0	0	113.3	R212 G225 S258 V278	P192-R212 WeakPolarHBondContact O-CD 2.92Å; P192-R212 PolarHBondContact O-NH1 2.8Å; P192-G225 WeakPolarHBondContact CB-O 3.33Å; P192-S258 WeakPolarHBondContact CB-OG 3.13Å; P192-S258 WeakPolarHBondContact CG-OG 3.21Å; P192-V278 HydrophobicContact CG-CG2 3.71Å
193	Q	79.5	Confident	68.4	Low	58 Å²	58	76.8 Å²	76.8	27%	0.271	40%	0.396	S	S	.	.	S	Bend	trans	-115.9	146.5	174.3	-56.8	-67.7	-30.1	0	0	110.3	G226 P260	Q193-G226 WeakPolarHBondContact O-CA 3.4Å; Q193-G226 PolarHBondContact O-N 3.2Å; Q193-P260 WeakPolarHBondContact CA-O 3.31Å; Q193-P260 WeakPolarHBondContact CB-O 3.4Å; Q193-P260 VanDerWaalsContact CG-O 3.27Å; Q193-P260 WeakPolarHBondContact CG-O 3.35Å; Q193-P260 PolarHBondContact N-O 2.82Å
194	P	79.7	Confident	68.1	Low	48 Å²	48	80.4 Å²	80.4	31%	0.312	40%	0.403	S	S	.	.			cis	-79.5	161.3	2.1	27.7	-29.9	0	0	0	113.5	I196 Y223	P194-I196 WeakPolarHBondContact CG-O 3.4Å; P194-I196 PolarHBondContact O-N 2.95Å; P194-Y223 WeakPolarHBondContact CD-OH 3.28Å; P194-Y223 WeakPolarHBondContact CG-OH 3.31Å; P194-Y223 PolarHBondContact O-OH 3.2Å
195	P	82.1	Confident	68	Low	64 Å²	64	80.7 Å²	80.7	42%	0.416	41%	0.41	S	S	.	.	S	Bend	trans	-74.9	-13.9	178.3	32.3	-34.4	0	0	0	113	K211 R212	P195-K211 CarbonylContact O-C 3.53Å; P195-R212 WeakPolarHBondContact O-CB 3.4Å; P195-R212 PolarHBondContact O-N 2.65Å
196	I	82.7	Confident	68	Low	86 Å²	86	77.9 Å²	77.9	44%	0.441	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-126.5	136.9	179	-59.1	170.5	0	0	0	107.2	P194 K209 L210	P194-I196 WeakPolarHBondContact CG-O 3.4Å; P194-I196 PolarHBondContact O-N 2.95Å; I196-K209 HydrophobicContact CG2-CB 3.88Å; I196-K209 HydrophobicContact CG2-CD 4.28Å; I196-K209 HydrophobicContact CG2-CG 4.29Å; I196-L210 CarbonylContact C-O 3.52Å; I196-L210 WeakPolarHBondContact CA-O 3.23Å
197	S	77.8	Confident	67.8	Low	7 Å²	7	80.6 Å²	80.6	5%	0.049	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-62.3	149.2	177.1	72.7	0	0	0	0	110.9	L210 Y223	S197-L210 PolarHBondContact N-O 2.71Å; S197-L210 PolarHBondContact OG-N 3.22Å; S197-Y223 VanDerWaalsContact N-CE1 3.31Å
198	P	70.7	Confident	67.7	Low	41 Å²	41	76.8 Å²	76.8	27%	0.266	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-55.5	143.2	165.7	-24.2	34.9	0	0	0	111	R599 R601	P198-R599 HydrophobicContact CG-CB 4.32Å; P198-R599 HydrophobicContact CG-CG 4.45Å; P198-R601 PolarHBondContact O-NH2 3.1Å
199	I	61.1	Low	67.9	Low	105 Å²	105	75 Å²	75	54%	0.538	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-59.3	142.4	178.3	-61.5	177.8	0	0	0	110.2	K209	I199-K209 HydrophobicContact CG1-CD 4.26Å; I199-K209 HydrophobicContact CG1-CG 4.08Å
200	Y	59.8	Low	67.9	Low	27 Å²	27	70.9 Å²	70.9	11%	0.106	39%	0.385	C	S	.	.			trans	-123.6	161.2	170.7	67.6	-120.5	0	0	0	112.6	S207 V208 D216 L221	Y200-S207 WeakPolarHBondContact O-CA 3.47Å; Y200-S207 VanDerWaalsContact O-CB 3.3Å; Y200-S207 WeakPolarHBondContact O-CB 3.34Å; Y200-V208 HydrophobicContact CD1-CB 4.46Å; Y200-V208 WeakPolarHBondContact CD1-O 3.39Å; Y200-V208 HydrophobicContact CE1-CB 3.55Å; Y200-V208 HydrophobicContact CE1-CG1 4.47Å; Y200-V208 HydrophobicContact CE1-CG2 4.28Å; Y200-V208 HydrophobicContact CE2-CB 3.88Å; Y200-V208 HydrophobicContact CE2-CG2 3.84Å; Y200-V208 VanDerWaalsContact CZ-CG2 3.48Å; Y200-V208 WeakPolarHBondContact OH-CB 3.31Å; Y200-V208 WeakPolarHBondContact OH-CG2 3.34Å; Y200-D216 PolarHBondContact OH-OD2 2.83Å; Y200-L221 HydrophobicContact CE1-CD1 4.31Å
201	L	44.6	Very low	68	Low	158 Å²	158	77.3 Å²	77.3	83%	0.827	41%	0.413	S	S	*	.			trans	-101.5	111.1	156.3	-69.8	160	0	0	0	106.4
202	S	45.4	Very low	68	Low	55 Å²	55	79.1 Å²	79.1	39%	0.385	42%	0.418	S	S	.	.	S	Bend	trans	-99.5	117.2	165.5	160.4	0	0	0	0	102.6	E204	S202-E204 PolarHBondContact O-N 3.31Å
203	D	46.1	Very low	68.1	Low	132 Å²	132	80.5 Å²	80.5	71%	0.706	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.8	75.1	174.6	-64.1	-16	0	0	0	113	V205	D203-V205 VanDerWaalsContact C-N 3.26Å; D203-V205 PolarHBondContact O-N 3.05Å
204	E	48.2	Very low	68.4	Low	186 Å²	186	81.5 Å²	81.5	87%	0.869	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	-5.2	169.6	-64.8	-158.8	148.7	0	0	122.3	S202	S202-E204 PolarHBondContact O-N 3.31Å
205	V	51.7	Low	68.6	Low	118 Å²	118	80.7 Å²	80.7	72%	0.715	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	-28.6	-172.6	-167.1	0	0	0	0	116.5	D203	D203-V205 VanDerWaalsContact C-N 3.26Å; D203-V205 PolarHBondContact O-N 3.05Å
206	N	57.5	Low	68.5	Low	122 Å²	122	79.2 Å²	79.2	65%	0.652	41%	0.409	S	S	*	.			trans	-135.3	110.7	-179.6	-75.2	-43.8	0	0	0	113.7	V208	N206-V208 PolarHBondContact O-N 3.47Å
207	S	61.9	Low	68.3	Low	75 Å²	75	81.4 Å²	81.4	52%	0.524	42%	0.416	S	S	.	.			trans	-69.7	117.1	166.9	64.5	0	0	0	0	110.4	Y200	Y200-S207 WeakPolarHBondContact O-CA 3.47Å; Y200-S207 VanDerWaalsContact O-CB 3.3Å; Y200-S207 WeakPolarHBondContact O-CB 3.34Å
208	V	68.1	Low	68	Low	43 Å²	43	84.5 Å²	84.5	26%	0.261	45%	0.449	S	S	.	.			trans	-100.2	134	173.6	-172.5	0	0	0	0	109.7	Y200 N206 L210	Y200-V208 HydrophobicContact CD1-CB 4.46Å; Y200-V208 WeakPolarHBondContact CD1-O 3.39Å; Y200-V208 HydrophobicContact CE1-CB 3.55Å; Y200-V208 HydrophobicContact CE1-CG1 4.47Å; Y200-V208 HydrophobicContact CE1-CG2 4.28Å; Y200-V208 HydrophobicContact CE2-CB 3.88Å; Y200-V208 HydrophobicContact CE2-CG2 3.84Å; Y200-V208 VanDerWaalsContact CZ-CG2 3.48Å; Y200-V208 WeakPolarHBondContact OH-CB 3.31Å; Y200-V208 WeakPolarHBondContact OH-CG2 3.34Å; N206-V208 PolarHBondContact O-N 3.47Å; V208-L210 HydrophobicContact CG1-CD2 3.93Å; V208-L210 HydrophobicContact CG1-CG 4.24Å
209	K	77.6	Confident	68	Low	123 Å²	123	84.1 Å²	84.1	54%	0.535	45%	0.447	S	S	.	.			trans	-112.6	112.4	170.3	-73.8	178.9	179.7	174.3	0	107.3	I196 I199	I196-K209 HydrophobicContact CG2-CB 3.88Å; I196-K209 HydrophobicContact CG2-CD 4.28Å; I196-K209 HydrophobicContact CG2-CG 4.29Å; I199-K209 HydrophobicContact CG1-CD 4.26Å; I199-K209 HydrophobicContact CG1-CG 4.08Å
210	L	81.2	Confident	68.6	Low	8 Å²	8	82.4 Å²	82.4	4%	0.042	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-89.1	136.7	175.6	-63.6	171.8	0	0	0	110	I196 S197 V208 E214 D216 L221 Y223	I196-L210 CarbonylContact C-O 3.52Å; I196-L210 WeakPolarHBondContact CA-O 3.23Å; S197-L210 PolarHBondContact N-O 2.71Å; S197-L210 PolarHBondContact OG-N 3.22Å; V208-L210 HydrophobicContact CG1-CD2 3.93Å; V208-L210 HydrophobicContact CG1-CG 4.24Å; L210-E214 HydrophobicContact CB-CB 4.41Å; L210-E214 HydrophobicContact CD2-CB 4.47Å; L210-E214 HydrophobicContact CD2-CG 4.07Å; L210-D216 HydrophobicContact CD1-CB 3.84Å; L210-D216 HydrophobicContact CD2-CB 3.65Å; L210-D216 HydrophobicContact CG-CB 4.29Å; L210-L221 HydrophobicContact CD1-CB 4.24Å; L210-Y223 HydrophobicContact CB-CD1 4.43Å; L210-Y223 HydrophobicContact CB-CG 4.37Å; L210-Y223 WeakPolarHBondContact O-CD1 3.26Å
211	K	85.4	Confident	69.4	Low	143 Å²	143	82 Å²	82	62%	0.622	44%	0.439	S	S	*	.	B	Isolated β-bridge	trans	-75	153.3	166.4	-63.3	176	-176	169.4	0	108.8	P195 L213 E214 Y223	P195-K211 CarbonylContact O-C 3.53Å; K211-L213 PolarHBondContact O-N 3.25Å; K211-E214 HydrophobicContact CB-CB 4.5Å; K211-E214 VanDerWaalsContact CB-OE2 3.3Å; K211-E214 WeakPolarHBondContact CB-OE2 3.38Å; K211-E214 PolarHBondContact N-OE2 3.33Å; K211-E214 WeakPolarHBondContact O-CB 3.22Å; K211-E214 PolarHBondContact O-N 3.4Å; K211-Y223 WeakPolarHBondContact O-CD1 3.43Å
212	R	85.1	Confident	71.3	Confident	61 Å²	61	74.6 Å²	74.6	23%	0.23	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.4	175.7	-173.7	-175.1	59	-137.1	-8.9	110.2	L191 P192 P195 E214 Y223	L191-R212 VanDerWaalsContact CD1-NH2 3.35Å; P192-R212 WeakPolarHBondContact O-CD 2.92Å; P192-R212 PolarHBondContact O-NH1 2.8Å; P195-R212 WeakPolarHBondContact O-CB 3.4Å; P195-R212 PolarHBondContact O-N 2.65Å; R212-E214 VanDerWaalsContact C-N 3.28Å; R212-Y223 VanDerWaalsContact CA-CD1 3.49Å; R212-Y223 HydrophobicContact CB-CD1 4.34Å; R212-Y223 HydrophobicContact CB-CE1 4.12Å
213	L	85.1	Confident	73.3	Confident	30 Å²	30	72 Å²	72	16%	0.157	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	21.8	-174.9	-43.9	178.5	0	0	0	114.1	K211 Y223 Q280 W282 I300 I303 A380	K211-L213 PolarHBondContact O-N 3.25Å; L213-Y223 WeakPolarHBondContact CA-O 3.3Å; L213-Y223 PolarHBondContact N-O 3.12Å; L213-Q280 VanDerWaalsContact CD2-CD 3.48Å; L213-Q280 HydrophobicContact CD2-CG 4.22Å; L213-W282 HydrophobicContact CB-CH2 4.36Å; L213-W282 HydrophobicContact CD2-CZ2 4.36Å; L213-I300 HydrophobicContact CB-CD1 4.44Å; L213-I300 HydrophobicContact CB-CG1 4.03Å; L213-I300 HydrophobicContact CD2-CD1 4.08Å; L213-I303 HydrophobicContact CD1-CD1 3.53Å; L213-A380 HydrophobicContact CD1-CB 4.2Å
214	E	84.5	Confident	75.1	Confident	80 Å²	80	65.7 Å²	65.7	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146.1	176.2	-165.8	170.7	-172.9	0	0	110.7	L210 K211 R212 Y223	L210-E214 HydrophobicContact CB-CB 4.41Å; L210-E214 HydrophobicContact CD2-CB 4.47Å; L210-E214 HydrophobicContact CD2-CG 4.07Å; K211-E214 HydrophobicContact CB-CB 4.5Å; K211-E214 VanDerWaalsContact CB-OE2 3.3Å; K211-E214 WeakPolarHBondContact CB-OE2 3.38Å; K211-E214 PolarHBondContact N-OE2 3.33Å; K211-E214 WeakPolarHBondContact O-CB 3.22Å; K211-E214 PolarHBondContact O-N 3.4Å; R212-E214 VanDerWaalsContact C-N 3.28Å; E214-Y223 PolarHBondContact O-N 3.23Å
215	Y	83.5	Confident	76.6	Confident	31 Å²	31	56.9 Å²	56.9	12%	0.122	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.3	172.1	166.7	-115.1	0	0	0	109.2	K217 N220 L221 I222 L296 P298	Y215-K217 HydrophobicContact CD1-CB 4.48Å; Y215-K217 HydrophobicContact CE1-CB 3.78Å; Y215-K217 HydrophobicContact CE1-CG 4.16Å; Y215-N220 PolarHBondContact OH-OD1 3.43Å; Y215-L221 WeakPolarHBondContact CA-O 3.39Å; Y215-L221 WeakPolarHBondContact CD2-O 3.05Å; Y215-I222 HydrophobicContact CD2-CG1 3.8Å; Y215-L296 WeakPolarHBondContact CE1-O 3.42Å; Y215-L296 HydrophobicContact CE2-CD2 4.21Å; Y215-L296 PolarHBondContact OH-O 2.71Å; Y215-P298 VanDerWaalsContact CD1-CD 3.42Å; Y215-P298 HydrophobicContact CD2-CB 4.47Å; Y215-P298 HydrophobicContact CD2-CG 3.9Å; Y215-P298 VanDerWaalsContact CE2-CD 3.46Å; Y215-P298 HydrophobicContact CE2-CG 3.9Å; Y215-P298 HydrophobicContact CG-CG 4.25Å
216	D	81.7	Confident	77.8	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.9	168.1	-176.9	18.9	0	0	0	110.6	Y200 L210 G218 S219 N220 L221	Y200-D216 PolarHBondContact OH-OD2 2.83Å; L210-D216 HydrophobicContact CD1-CB 3.84Å; L210-D216 HydrophobicContact CD2-CB 3.65Å; L210-D216 HydrophobicContact CG-CB 4.29Å; D216-G218 VanDerWaalsContact C-N 3.28Å; D216-G218 PolarHBondContact O-N 3.47Å; D216-G218 PolarHBondContact OD1-N 2.77Å; D216-S219 WeakPolarHBondContact CB-OG 3.32Å; D216-S219 VanDerWaalsContact CG-OG 3.27Å; D216-S219 VanDerWaalsContact OD2-CB 3.31Å; D216-S219 WeakPolarHBondContact OD2-CB 3.27Å; D216-S219 PolarHBondContact OD2-N 3.21Å; D216-S219 PolarHBondContact OD2-OG 3.06Å; D216-N220 WeakPolarHBondContact O-CA 3.48Å; D216-N220 PolarHBondContact O-N 3.48Å; D216-L221 PolarHBondContact N-O 3.17Å; D216-L221 PolarHBondContact O-N 2.98Å
217	K	77.9	Confident	78.6	Confident	133 Å²	133	46.3 Å²	46.3	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.3	175.4	-168.7	176.7	-178.8	179.3	0	112.7	Y215	Y215-K217 HydrophobicContact CD1-CB 4.48Å; Y215-K217 HydrophobicContact CE1-CB 3.78Å; Y215-K217 HydrophobicContact CE1-CG 4.16Å
218	G	71.6	Confident	79.4	Confident	72 Å²	72	42.8 Å²	42.8	74%	0.742	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.7	-178	0	0	0	0	0	112.6	D216	D216-G218 VanDerWaalsContact C-N 3.28Å; D216-G218 PolarHBondContact O-N 3.47Å; D216-G218 PolarHBondContact OD1-N 2.77Å
219	S	70.6	Confident	80	Confident	33 Å²	33	42.8 Å²	42.8	23%	0.231	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-2.5	-179.1	60.5	0	0	0	0	114.7	D216 L221	D216-S219 WeakPolarHBondContact CB-OG 3.32Å; D216-S219 VanDerWaalsContact CG-OG 3.27Å; D216-S219 VanDerWaalsContact OD2-CB 3.31Å; D216-S219 WeakPolarHBondContact OD2-CB 3.27Å; D216-S219 PolarHBondContact OD2-N 3.21Å; D216-S219 PolarHBondContact OD2-OG 3.06Å; S219-L221 PolarHBondContact O-N 2.87Å; S219-L221 WeakPolarHBondContact OG-CB 3.36Å; S219-L221 WeakPolarHBondContact OG-CD1 3.46Å; S219-L221 WeakPolarHBondContact OG-CG 3.24Å
220	N	73.2	Confident	80.3	Confident	69 Å²	69	37.1 Å²	37.1	37%	0.369	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	35.7	-171.1	-70.2	-47.4	0	0	0	113.8	Y215 D216 L296	Y215-N220 PolarHBondContact OH-OD1 3.43Å; D216-N220 WeakPolarHBondContact O-CA 3.48Å; D216-N220 PolarHBondContact O-N 3.48Å; N220-L296 HydrophobicContact CB-CD2 4.31Å
221	L	77.2	Confident	80.5	Confident	19 Å²	19	37.2 Å²	37.2	10%	0.099	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.5	-177.2	-68.3	175.2	0	0	0	111.6	Y200 L210 Y215 D216 S219 L576 E603	Y200-L221 HydrophobicContact CE1-CD1 4.31Å; L210-L221 HydrophobicContact CD1-CB 4.24Å; Y215-L221 WeakPolarHBondContact CA-O 3.39Å; Y215-L221 WeakPolarHBondContact CD2-O 3.05Å; D216-L221 PolarHBondContact N-O 3.17Å; D216-L221 PolarHBondContact O-N 2.98Å; S219-L221 PolarHBondContact O-N 2.87Å; S219-L221 WeakPolarHBondContact OG-CB 3.36Å; S219-L221 WeakPolarHBondContact OG-CD1 3.46Å; S219-L221 WeakPolarHBondContact OG-CG 3.24Å; L221-L576 HydrophobicContact CD2-CD2 4.35Å; L221-E603 HydrophobicContact CD2-CB 4.19Å; L221-E603 HydrophobicContact CD2-CG 4.33Å
222	I	84.7	Confident	80.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.1	167.2	-58.4	168.7	0	0	0	108.4	Y215 W282 P298 R601 I602 V604	Y215-I222 HydrophobicContact CD2-CG1 3.8Å; I222-W282 HydrophobicContact CG2-CD2 4.1Å; I222-W282 HydrophobicContact CG2-CE3 4.12Å; I222-W282 HydrophobicContact CG2-CH2 3.35Å; I222-W282 HydrophobicContact CG2-CZ2 3.32Å; I222-W282 HydrophobicContact CG2-CZ3 3.77Å; I222-P298 HydrophobicContact CD1-CB 3.48Å; I222-P298 VanDerWaalsContact CD1-CB 3.48Å; I222-P298 HydrophobicContact CD1-CG 3.71Å; I222-P298 HydrophobicContact CG1-CB 3.9Å; I222-P298 HydrophobicContact CG1-CG 4Å; I222-R601 WeakPolarHBondContact O-CA 3.31Å; I222-I602 HydrophobicContact CB-CB 4.15Å; I222-I602 PolarHBondContact N-O 3.18Å; I222-I602 PolarHBondContact O-N 3.02Å; I222-V604 HydrophobicContact CD1-CG2 3.89Å
223	Y	86	Confident	80.6	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	97.4	169.6	-173.9	-125.6	0	0	0	111.2	P194 S197 L210 K211 R212 L213 E214 G225 R599 G600	P194-Y223 WeakPolarHBondContact CD-OH 3.28Å; P194-Y223 WeakPolarHBondContact CG-OH 3.31Å; P194-Y223 PolarHBondContact O-OH 3.2Å; S197-Y223 VanDerWaalsContact N-CE1 3.31Å; L210-Y223 HydrophobicContact CB-CD1 4.43Å; L210-Y223 HydrophobicContact CB-CG 4.37Å; L210-Y223 WeakPolarHBondContact O-CD1 3.26Å; K211-Y223 WeakPolarHBondContact O-CD1 3.43Å; R212-Y223 VanDerWaalsContact CA-CD1 3.49Å; R212-Y223 HydrophobicContact CB-CD1 4.34Å; R212-Y223 HydrophobicContact CB-CE1 4.12Å; L213-Y223 WeakPolarHBondContact CA-O 3.3Å; L213-Y223 PolarHBondContact N-O 3.12Å; E214-Y223 PolarHBondContact O-N 3.23Å; Y223-G225 PolarHBondContact O-N 2.97Å; Y223-R599 WeakPolarHBondContact CE2-O 3.18Å; Y223-G600 WeakPolarHBondContact CD2-O 3.46Å
224	A	84.4	Confident	80.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.			trans	-70.5	-21.9	177.7	0	0	0	0	0	112.8	V228 Q280 G600 I602	A224-V228 HydrophobicContact CB-CG2 3.77Å; A224-Q280 PolarHBondContact O-NE2 2.8Å; A224-G600 PolarHBondContact N-O 3.4Å; A224-I602 HydrophobicContact CB-CD1 3.87Å; A224-I602 HydrophobicContact CB-CG1 4.46Å
225	G	79	Confident	80.4	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	82.5	131	-170.6	0	0	0	0	0	112.3	P192 Y223 S258	P192-G225 WeakPolarHBondContact CB-O 3.33Å; Y223-G225 PolarHBondContact O-N 2.97Å; G225-S258 WeakPolarHBondContact O-CB 3.29Å; G225-S258 PolarHBondContact O-OG 3.09Å
226	G	76.7	Confident	79.7	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	61	169.1	-179.4	0	0	0	0	0	114.1	Q193 V228 G600	Q193-G226 WeakPolarHBondContact O-CA 3.4Å; Q193-G226 PolarHBondContact O-N 3.2Å; G226-V228 PolarHBondContact O-N 3.37Å; G226-G600 WeakPolarHBondContact O-CA 2.82Å; G226-G600 PolarHBondContact O-N 3.23Å
227	A	75.9	Confident	79	Confident	18 Å²	18	26.1 Å²	26.1	15%	0.149	16%	0.156	C	C	.	.			trans	-58.9	123.4	-177.1	0	0	0	0	0	111.3	S258 V259 D598	A227-S258 CarbonylContact O-C 3.54Å; A227-S258 WeakPolarHBondContact O-CA 3.19Å; A227-S258 VanDerWaalsContact O-CB 3.3Å; A227-S258 WeakPolarHBondContact O-CB 3.12Å; A227-V259 PolarHBondContact O-N 3.26Å; A227-D598 WeakPolarHBondContact CA-O 3.38Å; A227-D598 VanDerWaalsContact CB-O 3.28Å; A227-D598 WeakPolarHBondContact CB-O 3.41Å
228	V	78.6	Confident	77.9	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	176	172.7	0	0	0	0	108.5	A224 G226 L231 S257 T582 S596 I602	A224-V228 HydrophobicContact CB-CG2 3.77Å; G226-V228 PolarHBondContact O-N 3.37Å; V228-L231 HydrophobicContact CG1-CD2 3.75Å; V228-L231 HydrophobicContact CG1-CG 4.01Å; V228-S257 CarbonylContact C-O 3.59Å; V228-S257 WeakPolarHBondContact CA-O 3.31Å; V228-T582 WeakPolarHBondContact O-CB 3.07Å; V228-T582 PolarHBondContact O-OG1 2.9Å; V228-S596 WeakPolarHBondContact CG1-OG 3.04Å; V228-I602 HydrophobicContact CG1-CD1 4.41Å; V228-I602 HydrophobicContact CG2-CD1 3.95Å; V228-I602 HydrophobicContact CG2-CG1 3.85Å
229	T	79.2	Confident	76.7	Confident	43 Å²	43	21.6 Å²	21.6	26%	0.264	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-33.5	-178.4	48.9	0	0	0	0	113.2	S257 V259 I311	T229-S257 PolarHBondContact N-O 2.75Å; T229-S257 PolarHBondContact OG1-O 2.95Å; T229-V259 HydrophobicContact CG2-CG2 3.32Å; T229-I311 PolarHBondContact OG1-O 3.24Å
230	C	85	Confident	75.3	Confident	4 Å²	4	22.4 Å²	22.4	3%	0.027	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.4	-173.9	-48.8	0	0	0	0	110.2	T256 S257 M314	C230-T256 WeakPolarHBondContact O-CA 3.41Å; C230-S257 PolarHBondContact O-N 3.05Å; C230-M314 HydrophobicContact CB-CB 3.82Å; C230-M314 HydrophobicContact CB-CE 4.11Å
231	L	85.2	Confident	73.5	Confident	10 Å²	10	25 Å²	25	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.3	172	-66.1	174.8	0	0	0	108.4	V228 L254 A255 T256 S583 D585 V594 I602	V228-L231 HydrophobicContact CG1-CD2 3.75Å; V228-L231 HydrophobicContact CG1-CG 4.01Å; L231-L254 HydrophobicContact CD2-CD2 4.42Å; L231-A255 WeakPolarHBondContact CA-O 3.5Å; L231-T256 HydrophobicContact CD2-CG2 3.67Å; L231-S583 PolarHBondContact N-OG 2.91Å; L231-D585 HydrophobicContact CB-CB 4.28Å; L231-V594 HydrophobicContact CB-CG1 4.46Å; L231-V594 HydrophobicContact CD1-CG1 4.04Å; L231-V594 HydrophobicContact CD1-CG2 4.12Å; L231-I602 HydrophobicContact CD2-CD1 3.82Å; L231-I602 HydrophobicContact CD2-CG1 4.3Å; L231-I602 HydrophobicContact CD2-CG2 4.28Å
232	S	89.1	Confident	72	Confident	11 Å²	11	30.1 Å²	30.1	8%	0.077	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	125.4	169	-165	0	0	0	0	112.6	A255 M314 C315 W316 D585	S232-A255 PolarHBondContact N-O 2.81Å; S232-A255 PolarHBondContact O-N 3.35Å; S232-M314 WeakPolarHBondContact CB-O 3.38Å; S232-C315 WeakPolarHBondContact OG-CA 3.34Å; S232-W316 PolarHBondContact O-NE1 2.69Å; S232-W316 VanDerWaalsContact OG-CD1 3.31Å; S232-W316 PolarHBondContact OG-N 3.48Å; S232-D585 WeakPolarHBondContact CA-OD2 3.2Å
233	W	84	Confident	70.1	Confident	14 Å²	14	37.9 Å²	37.9	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.4	171.9	-77.7	109.6	0	0	0	111.5	F253 L254 C284 L287 D585 L590 V594 V604	W233-F253 VanDerWaalsContact CE3-O 3.29Å; W233-L254 HydrophobicContact CD2-CD1 4.01Å; W233-L254 HydrophobicContact CE3-CB 4.08Å; W233-L254 HydrophobicContact CE3-CD1 4.31Å; W233-L254 HydrophobicContact CG-CD1 4.34Å; W233-L254 HydrophobicContact CH2-CB 4.17Å; W233-L254 HydrophobicContact CZ2-CD1 4.36Å; W233-L254 HydrophobicContact CZ3-CB 3.84Å; W233-C284 HydrophobicContact CH2-CB 3.97Å; W233-C284 HydrophobicContact CZ3-CB 4Å; W233-L287 HydrophobicContact CH2-CD1 3.63Å; W233-L287 HydrophobicContact CZ2-CD1 4.37Å; W233-L287 HydrophobicContact CZ3-CD1 3.97Å; W233-D585 PolarHBondContact N-OD2 3.08Å; W233-L590 HydrophobicContact CD2-CD1 4.05Å; W233-L590 HydrophobicContact CE3-CD1 3.82Å; W233-L590 HydrophobicContact CZ3-CD1 4.24Å; W233-V594 HydrophobicContact CZ2-CB 4.12Å; W233-V594 HydrophobicContact CZ2-CG1 4.38Å; W233-V594 VanDerWaalsContact NE1-CG1 3.3Å; W233-V604 HydrophobicContact CH2-CG1 4.19Å; W233-V604 HydrophobicContact CZ2-CG1 4.08Å
234	C	86.4	Confident	67.9	Low	7 Å²	7	39.6 Å²	39.6	5%	0.047	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.7	132.3	168.5	-164.5	0	0	0	0	108.8	F253 W316	C234-F253 HydrophobicContact CB-CB 3.79Å; C234-F253 VanDerWaalsContact CB-O 3.31Å; C234-F253 WeakPolarHBondContact CB-O 3.46Å; C234-F253 PolarHBondContact N-O 2.88Å; C234-W316 HydrophobicContact CB-CD2 3.95Å; C234-W316 HydrophobicContact CB-CE3 4.33Å; C234-W316 HydrophobicContact CB-CG 4.44Å; C234-W316 HydrophobicContact CB-CH2 4.14Å; C234-W316 HydrophobicContact CB-CZ2 3.76Å; C234-W316 HydrophobicContact CB-CZ3 4.42Å; C234-W316 VanDerWaalsContact SG-CE3 3.58Å; C234-W316 VanDerWaalsContact SG-CZ3 3.54Å
235	P	78.4	Confident	66	Low	24 Å²	24	48.5 Å²	48.5	16%	0.156	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-60.8	146.2	171.8	29.2	-37.5	0	0	0	109.4	W316 I317	P235-W316 VanDerWaalsContact CD-CB 3.48Å; P235-W316 HydrophobicContact CG-CB 4.48Å; P235-I317 WeakPolarHBondContact CG-O 3.4Å
236	P	69.7	Low	64.5	Low	28 Å²	28	51.5 Å²	51.5	18%	0.182	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.7	175.2	29	-36.6	0	0	0	109.6	L238	P236-L238 HydrophobicContact CB-CD1 4.34Å; P236-L238 HydrophobicContact CB-CG 3.98Å; P236-L238 HydrophobicContact CG-CD1 3.59Å; P236-L238 HydrophobicContact CG-CG 3.78Å; P236-L238 PolarHBondContact O-N 3.34Å
237	R	66.9	Low	63.2	Low	60 Å²	60	56 Å²	56	23%	0.226	31%	0.308	C	S	.	.			trans	-77.2	63	171.7	-51.7	167	78.6	-166.2	3.5	107.9	S239 E250 F322 D346 T368	R237-S239 PolarHBondContact O-N 3.14Å; R237-E250 WeakPolarHBondContact CA-OE1 3.25Å; R237-E250 WeakPolarHBondContact CB-OE1 2.99Å; R237-E250 WeakPolarHBondContact CD-OE1 3.18Å; R237-E250 WeakPolarHBondContact CG-OE1 3.32Å; R237-E250 PolarHBondContact N-OE1 3.42Å; R237-E250 PolarHBondContact N-OE2 2.95Å; R237-F322 HydrophobicContact CB-CD2 4.41Å; R237-F322 HydrophobicContact CB-CE2 4.35Å; R237-D346 PolarHBondContact NH2-O 2.91Å; R237-T368 VanDerWaalsContact CZ-CG2 3.48Å
238	L	53.7	Low	62	Low	80 Å²	80	60.4 Å²	60.4	42%	0.419	33%	0.332	S	S	.	.			trans	-70.8	67.1	169.8	-71.9	167.8	0	0	0	109.8	P236	P236-L238 HydrophobicContact CB-CD1 4.34Å; P236-L238 HydrophobicContact CB-CG 3.98Å; P236-L238 HydrophobicContact CG-CD1 3.59Å; P236-L238 HydrophobicContact CG-CG 3.78Å; P236-L238 PolarHBondContact O-N 3.34Å
239	S	47.7	Very low	61.1	Low	30 Å²	30	66 Å²	66	21%	0.21	36%	0.363	C	S	.	.			trans	-120.6	106.2	149.7	60.7	0	0	0	0	107.5	R237 L241 F322	R237-S239 PolarHBondContact O-N 3.14Å; S239-L241 PolarHBondContact O-N 2.86Å; S239-F322 WeakPolarHBondContact OG-CB 3.31Å; S239-F322 WeakPolarHBondContact OG-CD2 3.3Å; S239-F322 WeakPolarHBondContact OG-CG 3.34Å
240	S	39.5	Very low	60.6	Low	49 Å²	49	66.4 Å²	66.4	34%	0.343	36%	0.361	S	S	.	.				37.7	53.3	102.7	172	0	0	0	0	116.1	L242 K326	S240-L242 PolarHBondContact O-N 2.67Å; S240-L242 VanDerWaalsContact OG-CD1 3.31Å; S240-L242 WeakPolarHBondContact OG-CD1 3.36Å; S240-K326 WeakPolarHBondContact OG-CE 3.21Å; S240-K326 PolarHBondContact OG-NZ 3.34Å
241	L	37.3	Very low	60.2	Low	124 Å²	124	68.1 Å²	68.1	65%	0.649	37%	0.373	S	S	*	.				-71.8	82.1	108.3	-82.8	157.8	0	0	0	104.6	S239 D243 S244	S239-L241 PolarHBondContact O-N 2.86Å; L241-D243 PolarHBondContact O-N 3.28Å; L241-S244 WeakPolarHBondContact CB-OG 3.23Å; L241-S244 PolarHBondContact O-N 3.32Å; L241-S244 PolarHBondContact O-OG 3.15Å
242	L	44.2	Very low	60	Low	126 Å²	126	68.1 Å²	68.1	66%	0.66	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	9.2	-173.5	-104.5	163.9	0	0	0	111.4	S240	S240-L242 PolarHBondContact O-N 2.67Å; S240-L242 VanDerWaalsContact OG-CD1 3.31Å; S240-L242 WeakPolarHBondContact OG-CD1 3.36Å
243	D	44.3	Very low	59.9	Low	165 Å²	165	68.5 Å²	68.5	88%	0.882	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	2.3	176.3	-62.8	-43.5	0	0	0	112.9	L241	L241-D243 PolarHBondContact O-N 3.28Å
244	S	41.2	Very low	60.2	Low	36 Å²	36	67.9 Å²	67.9	25%	0.252	37%	0.372	S	S	.	.			trans	-103.4	127.9	176.5	66.8	0	0	0	0	111.6	L241 S246	L241-S244 WeakPolarHBondContact CB-OG 3.23Å; L241-S244 PolarHBondContact O-N 3.32Å; L241-S244 PolarHBondContact O-OG 3.15Å; S244-S246 WeakPolarHBondContact CB-OG 3.45Å; S244-S246 PolarHBondContact O-N 3Å; S244-S246 PolarHBondContact OG-OG 3.05Å
245	E	44	Very low	60.5	Low	187 Å²	187	67.5 Å²	67.5	87%	0.874	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-58.2	2	166.6	-64.1	-177.3	156.7	0	0	113.2	I247	E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 PolarHBondContact O-N 2.89Å
246	S	47.1	Very low	61.2	Low	63 Å²	63	66.4 Å²	66.4	44%	0.441	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-74.6	-7.8	-174.7	70.5	0	0	0	0	115.3	S244 V248 N249	S244-S246 WeakPolarHBondContact CB-OG 3.45Å; S244-S246 PolarHBondContact O-N 3Å; S244-S246 PolarHBondContact OG-OG 3.05Å; S246-V248 PolarHBondContact O-N 3.19Å; S246-N249 PolarHBondContact O-N 3.08Å; S246-N249 VanDerWaalsContact O-N 3.14Å
247	I	49	Very low	62.2	Low	97 Å²	97	65.2 Å²	65.2	50%	0.497	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-58.8	-32.1	174.5	-61.6	173.4	0	0	0	110.4	E245 N249 E250	E245-I247 VanDerWaalsContact C-N 3.3Å; E245-I247 PolarHBondContact O-N 2.89Å; I247-N249 PolarHBondContact O-N 2.79Å; I247-N249 VanDerWaalsContact O-N 3.13Å; I247-E250 PolarHBondContact O-N 3.16Å
248	V	51.5	Low	63	Low	109 Å²	109	62.6 Å²	62.6	66%	0.661	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.2	-179.1	-173.3	0	0	0	0	112.3	S246 V286	S246-V248 PolarHBondContact O-N 3.19Å; V248-V286 WeakPolarHBondContact O-CG1 3.38Å
249	N	59.1	Low	64.1	Low	120 Å²	120	59.3 Å²	59.3	64%	0.642	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-112.4	16.4	-174.2	-64.6	-21.4	0	0	0	113.8	S246 I247 C251	S246-N249 PolarHBondContact O-N 3.08Å; S246-N249 VanDerWaalsContact O-N 3.14Å; I247-N249 PolarHBondContact O-N 2.79Å; I247-N249 VanDerWaalsContact O-N 3.13Å; N249-C251 PolarHBondContact O-N 3.46Å
250	E	69	Low	65.3	Low	50 Å²	50	58.5 Å²	58.5	23%	0.234	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-75.9	126.4	180	-157.5	-171.9	159.1	0	0	111.8	R237 I247	R237-E250 WeakPolarHBondContact CA-OE1 3.25Å; R237-E250 WeakPolarHBondContact CB-OE1 2.99Å; R237-E250 WeakPolarHBondContact CD-OE1 3.18Å; R237-E250 WeakPolarHBondContact CG-OE1 3.32Å; R237-E250 PolarHBondContact N-OE1 3.42Å; R237-E250 PolarHBondContact N-OE2 2.95Å; I247-E250 PolarHBondContact O-N 3.16Å
251	C	76.2	Confident	66.7	Low	40 Å²	40	59 Å²	59	27%	0.27	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.2	172.7	-76.5	0	0	0	0	111.7	N249 F253 N283 G285	N249-C251 PolarHBondContact O-N 3.46Å; C251-F253 HydrophobicContact CB-CD2 4.43Å; C251-F253 HydrophobicContact CB-CE2 3.69Å; C251-F253 HydrophobicContact CB-CZ 4Å; C251-F253 VanDerWaalsContact O-CD2 3.3Å; C251-F253 WeakPolarHBondContact O-CD2 3.44Å; C251-F253 VanDerWaalsContact O-CE2 3.32Å; C251-F253 WeakPolarHBondContact O-CE2 3.35Å; C251-N283 VanDerWaalsContact CB-OD1 3.28Å; C251-N283 WeakPolarHBondContact CB-OD1 3.33Å; C251-N283 PolarHBondContact SG-OD1 3.37Å; C251-N283 VanDerWaalsContact SG-OD1 3.38Å; C251-G285 CarbonylContact C-O 3.55Å; C251-G285 WeakPolarHBondContact CA-O 3.5Å
252	S	81.3	Confident	67.8	Low	11 Å²	11	56.5 Å²	56.5	8%	0.077	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.6	171.1	-65	0	0	0	0	110.4	C284 G285 L590	S252-C284 WeakPolarHBondContact O-CB 3.46Å; S252-C284 PolarHBondContact O-N 3.02Å; S252-G285 PolarHBondContact N-O 2.79Å; S252-L590 WeakPolarHBondContact OG-CD1 3.41Å; S252-L590 VanDerWaalsContact OG-CD2 3.24Å; S252-L590 WeakPolarHBondContact OG-CD2 3.29Å
253	F	87.4	Confident	68.5	Low	19 Å²	19	57.9 Å²	57.9	8%	0.083	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.8	-177.9	-64.9	-99.4	0	0	0	111.8	W233 C234 C251 I281 W282 N283 H301 L349	W233-F253 VanDerWaalsContact CE3-O 3.29Å; C234-F253 HydrophobicContact CB-CB 3.79Å; C234-F253 VanDerWaalsContact CB-O 3.31Å; C234-F253 WeakPolarHBondContact CB-O 3.46Å; C234-F253 PolarHBondContact N-O 2.88Å; C251-F253 HydrophobicContact CB-CD2 4.43Å; C251-F253 HydrophobicContact CB-CE2 3.69Å; C251-F253 HydrophobicContact CB-CZ 4Å; C251-F253 VanDerWaalsContact O-CD2 3.3Å; C251-F253 WeakPolarHBondContact O-CD2 3.44Å; C251-F253 VanDerWaalsContact O-CE2 3.32Å; C251-F253 WeakPolarHBondContact O-CE2 3.35Å; F253-I281 HydrophobicContact CB-CG2 4.45Å; F253-I281 HydrophobicContact CD1-CG2 4.19Å; F253-W282 CarbonylContact C-O 3.57Å; F253-W282 WeakPolarHBondContact CA-O 3.43Å; F253-N283 HydrophobicContact CD1-CB 4.03Å; F253-N283 HydrophobicContact CE1-CB 3.75Å; F253-N283 HydrophobicContact CZ-CB 4.47Å; F253-H301 HydrophobicContact CD1-CB 4.35Å; F253-H301 HydrophobicContact CE1-CB 4.19Å; F253-H301 AromaticContact CE1-CD2 3.95Å; F253-H301 AromaticContact CE1-CG 3.74Å; F253-H301 AromaticContact CE1-ND1 3.84Å; F253-L349 HydrophobicContact CB-CD2 3.88Å; F253-L349 HydrophobicContact CD1-CD2 3.61Å; F253-L349 HydrophobicContact CD2-CD1 3.37Å; F253-L349 HydrophobicContact CD2-CD2 3.83Å; F253-L349 HydrophobicContact CD2-CG 4.2Å; F253-L349 HydrophobicContact CE1-CD2 4.01Å; F253-L349 HydrophobicContact CE2-CD1 3.41Å; F253-L349 VanDerWaalsContact CE2-CD1 3.41Å; F253-L349 HydrophobicContact CE2-CD2 4.21Å; F253-L349 HydrophobicContact CE2-CG 4.46Å; F253-L349 HydrophobicContact CG-CD1 3.98Å; F253-L349 HydrophobicContact CG-CD2 3.5Å; F253-L349 VanDerWaalsContact CG-CD2 3.5Å; F253-L349 HydrophobicContact CG-CG 4.33Å; F253-L349 HydrophobicContact CZ-CD1 4.06Å; F253-L349 HydrophobicContact CZ-CD2 4.29Å
254	L	89.8	Confident	69.5	Low	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.6	178.6	178.8	69.8	0	0	0	109.7	L231 W233 T256 I281 W282 V594 I602	L231-L254 HydrophobicContact CD2-CD2 4.42Å; W233-L254 HydrophobicContact CD2-CD1 4.01Å; W233-L254 HydrophobicContact CE3-CB 4.08Å; W233-L254 HydrophobicContact CE3-CD1 4.31Å; W233-L254 HydrophobicContact CG-CD1 4.34Å; W233-L254 HydrophobicContact CH2-CB 4.17Å; W233-L254 HydrophobicContact CZ2-CD1 4.36Å; W233-L254 HydrophobicContact CZ3-CB 3.84Å; L254-T256 HydrophobicContact CD2-CG2 3.87Å; L254-T256 HydrophobicContact CG-CG2 3.84Å; L254-I281 WeakPolarHBondContact O-CA 3.19Å; L254-W282 HydrophobicContact CB-CB 4.32Å; L254-W282 PolarHBondContact N-O 3.28Å; L254-W282 PolarHBondContact O-N 3.37Å; L254-V594 HydrophobicContact CD1-CG1 4.02Å; L254-V594 HydrophobicContact CD2-CG2 3.93Å; L254-I602 HydrophobicContact CD2-CG2 4.17Å
255	A	93.5	Very high	70.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.9	169.7	0	0	0	0	0	109.7	L231 S232 Q280 I281 M314 W316 L352	L231-A255 WeakPolarHBondContact CA-O 3.5Å; S232-A255 PolarHBondContact N-O 2.81Å; S232-A255 PolarHBondContact O-N 3.35Å; A255-Q280 CarbonylContact C-O 3.51Å; A255-Q280 WeakPolarHBondContact CA-O 3.17Å; A255-I281 HydrophobicContact CB-CD1 3.67Å; A255-M314 HydrophobicContact CB-CE 3.52Å; A255-M314 HydrophobicContact CB-SD 3.86Å; A255-M314 VanDerWaalsContact O-CE 3.26Å; A255-M314 WeakPolarHBondContact O-CE 3.35Å; A255-W316 HydrophobicContact CB-CZ2 3.95Å; A255-L352 HydrophobicContact CB-CD1 3.98Å; A255-L352 HydrophobicContact CB-CD2 4.35Å
256	T	92.3	Very high	72	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144	178	81.6	0	0	0	0	110.3	C230 L231 L254 I279 Q280 W282 I602	C230-T256 WeakPolarHBondContact O-CA 3.41Å; L231-T256 HydrophobicContact CD2-CG2 3.67Å; L254-T256 HydrophobicContact CD2-CG2 3.87Å; L254-T256 HydrophobicContact CG-CG2 3.84Å; T256-I279 CarbonylContact O-C 3.55Å; T256-I279 WeakPolarHBondContact O-CA 3.16Å; T256-Q280 PolarHBondContact N-O 2.92Å; T256-Q280 PolarHBondContact O-N 3.01Å; T256-Q280 WeakPolarHBondContact OG1-CB 3.48Å; T256-Q280 PolarHBondContact OG1-OE1 3.44Å; T256-W282 PolarHBondContact OG1-NE1 3.42Å; T256-I602 HydrophobicContact CG2-CD1 3.48Å; T256-I602 VanDerWaalsContact CG2-CD1 3.48Å
257	S	91.1	Very high	73.5	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.028	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.9	169.2	174.4	0	0	0	0	108.9	V228 T229 C230 I311	V228-S257 CarbonylContact C-O 3.59Å; V228-S257 WeakPolarHBondContact CA-O 3.31Å; T229-S257 PolarHBondContact N-O 2.75Å; T229-S257 PolarHBondContact OG1-O 2.95Å; C230-S257 PolarHBondContact O-N 3.05Å; S257-I311 WeakPolarHBondContact OG-CB 3.4Å; S257-I311 WeakPolarHBondContact OG-CG1 3.26Å
258	S	84.6	Confident	75.1	Confident	5 Å²	5	50 Å²	50	4%	0.035	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.3	177.2	63.6	0	0	0	0	112.8	P192 G225 A227	P192-S258 WeakPolarHBondContact CB-OG 3.13Å; P192-S258 WeakPolarHBondContact CG-OG 3.21Å; G225-S258 WeakPolarHBondContact O-CB 3.29Å; G225-S258 PolarHBondContact O-OG 3.09Å; A227-S258 CarbonylContact O-C 3.54Å; A227-S258 WeakPolarHBondContact O-CA 3.19Å; A227-S258 VanDerWaalsContact O-CB 3.3Å; A227-S258 WeakPolarHBondContact O-CB 3.12Å
259	V	76.9	Confident	76.5	Confident	10 Å²	10	49.7 Å²	49.7	6%	0.061	28%	0.276	C	S	.	.			trans	-87.5	133.7	-176.1	178.2	0	0	0	0	109.8	A227 T229 T261 S264	A227-V259 PolarHBondContact O-N 3.26Å; T229-V259 HydrophobicContact CG2-CG2 3.32Å; V259-T261 VanDerWaalsContact C-N 3.32Å; V259-T261 VanDerWaalsContact CG1-O 3.23Å; V259-T261 WeakPolarHBondContact CG1-O 3.36Å; V259-T261 PolarHBondContact O-N 2.91Å; V259-S264 WeakPolarHBondContact CG1-OG 3.32Å
260	P	72.2	Confident	77.6	Confident	14 Å²	14	46.7 Å²	46.7	9%	0.091	26%	0.26	C	S	.	.	S	Bend	trans	-48.4	-42.7	173.9	-35.1	37.4	0	0	0	115.8	Q193 R310	Q193-P260 WeakPolarHBondContact CA-O 3.31Å; Q193-P260 WeakPolarHBondContact CB-O 3.4Å; Q193-P260 VanDerWaalsContact CG-O 3.27Å; Q193-P260 WeakPolarHBondContact CG-O 3.35Å; Q193-P260 PolarHBondContact N-O 2.82Å; P260-R310 VanDerWaalsContact CD-CZ 3.46Å; P260-R310 VanDerWaalsContact CG-NH1 3.27Å
261	T	68.2	Low	78.5	Confident	59 Å²	59	53 Å²	53	36%	0.362	29%	0.287	S	S	.	.			trans	-137.2	139.1	179.6	57.4	0	0	0	0	111.4	V259 D263 S264	V259-T261 VanDerWaalsContact C-N 3.32Å; V259-T261 VanDerWaalsContact CG1-O 3.23Å; V259-T261 WeakPolarHBondContact CG1-O 3.36Å; V259-T261 PolarHBondContact O-N 2.91Å; T261-D263 PolarHBondContact O-N 2.92Å; T261-D263 VanDerWaalsContact O-N 3.17Å; T261-S264 PolarHBondContact O-N 3.03Å; T261-S264 PolarHBondContact O-OG 2.79Å; T261-S264 WeakPolarHBondContact OG1-CB 3.19Å; T261-S264 PolarHBondContact OG1-OG 2.9Å; T261-S264 VanDerWaalsContact OG1-OG 3.06Å
262	P	60.5	Low	79.2	Confident	72 Å²	72	53.3 Å²	53.3	47%	0.468	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.7	179.2	-25	33.3	0	0	0	113.7	S264	P262-S264 PolarHBondContact O-N 2.91Å
263	D	59.8	Low	79.6	Confident	155 Å²	155	58.9 Å²	58.9	83%	0.829	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.1	-178.2	-53.3	-40.1	0	0	0	113.6	T261 Q265	T261-D263 PolarHBondContact O-N 2.92Å; T261-D263 VanDerWaalsContact O-N 3.17Å; D263-Q265 VanDerWaalsContact C-N 3.27Å; D263-Q265 PolarHBondContact O-N 2.88Å; D263-Q265 VanDerWaalsContact O-N 3.09Å
264	S	64.2	Low	79.7	Confident	28 Å²	28	63.5 Å²	63.5	20%	0.196	33%	0.333	C	S	.	.			trans	-89.3	62.8	179.9	64.5	0	0	0	0	111.9	V259 T261 P262 R310	V259-S264 WeakPolarHBondContact CG1-OG 3.32Å; T261-S264 PolarHBondContact O-N 3.03Å; T261-S264 PolarHBondContact O-OG 2.79Å; T261-S264 WeakPolarHBondContact OG1-CB 3.19Å; T261-S264 PolarHBondContact OG1-OG 2.9Å; T261-S264 VanDerWaalsContact OG1-OG 3.06Å; P262-S264 PolarHBondContact O-N 2.91Å; S264-R310 PolarHBondContact OG-NH2 2.72Å
265	Q	65.9	Low	79.7	Confident	128 Å²	128	64.2 Å²	64.2	60%	0.598	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-62.5	139.7	166.9	-65.2	-172.1	2.9	0	0	109.7	D263	D263-Q265 VanDerWaalsContact C-N 3.27Å; D263-Q265 PolarHBondContact O-N 2.88Å; D263-Q265 VanDerWaalsContact O-N 3.09Å
266	T	71.6	Confident	79.5	Confident	50 Å²	50	66 Å²	66	31%	0.307	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-99.1	117.5	173.5	-54.8	0	0	0	0	108.1	R310 Q357 W408	T266-R310 WeakPolarHBondContact OG1-CG 3.34Å; T266-Q357 HydrophobicContact CG2-CG 4.49Å; T266-W408 HydrophobicContact CG2-CH2 3.94Å; T266-W408 HydrophobicContact CG2-CZ2 3.89Å
267	L	79.8	Confident	79.4	Confident	91 Å²	91	66.2 Å²	66.2	48%	0.476	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-91	143.7	176	-57.8	177.1	0	0	0	109.3	S269 D270 W408	L267-S269 PolarHBondContact O-N 3Å; L267-S269 VanDerWaalsContact O-N 3.08Å; L267-D270 PolarHBondContact N-OD2 2.91Å; L267-D270 WeakPolarHBondContact O-CB 3.49Å; L267-D270 VanDerWaalsContact O-CG 3.28Å; L267-D270 PolarHBondContact O-N 3.13Å; L267-W408 WeakPolarHBondContact O-CZ2 3.47Å
268	Y	82.5	Confident	79.4	Confident	86 Å²	86	66.1 Å²	66.1	34%	0.337	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.4	175.6	-65	-66.5	0	0	0	113.8	D270 W408 T410 T427 P463 L482	Y268-D270 VanDerWaalsContact C-N 3.3Å; Y268-W408 AromaticContact CD1-CH2 3.75Å; Y268-W408 HydrophobicContact CD1-CH2 3.75Å; Y268-W408 HydrophobicContact CD1-CZ2 4.42Å; Y268-W408 HydrophobicContact CD1-CZ3 4.34Å; Y268-W408 HydrophobicContact CE1-CH2 4.29Å; Y268-T410 HydrophobicContact CD1-CG2 3.74Å; Y268-T410 HydrophobicContact CE1-CG2 3.63Å; Y268-T427 HydrophobicContact CD1-CG2 4.01Å; Y268-P463 HydrophobicContact CD1-CB 3.86Å; Y268-P463 HydrophobicContact CD1-CG 4.35Å; Y268-P463 HydrophobicContact CD2-CB 4.37Å; Y268-P463 HydrophobicContact CD2-CG 4.41Å; Y268-P463 HydrophobicContact CE1-CB 4.36Å; Y268-P463 HydrophobicContact CG-CB 3.84Å; Y268-P463 HydrophobicContact CG-CG 3.88Å; Y268-L482 HydrophobicContact CD2-CD1 4.07Å; Y268-L482 HydrophobicContact CD2-CD2 3.73Å; Y268-L482 HydrophobicContact CD2-CG 4.46Å; Y268-L482 HydrophobicContact CE2-CD1 3.75Å; Y268-L482 HydrophobicContact CE2-CD2 4.27Å; Y268-L482 HydrophobicContact CG-CD2 4.49Å
269	S	81.6	Confident	79.8	Confident	102 Å²	102	65.9 Å²	65.9	71%	0.713	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-11.7	173.3	53.8	0	0	0	0	113.9	L267	L267-S269 PolarHBondContact O-N 3Å; L267-S269 VanDerWaalsContact O-N 3.08Å
270	D	81.1	Confident	80.5	Confident	56 Å²	56	65.4 Å²	65.4	30%	0.299	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.5	142.1	-179	-69.2	-19	0	0	0	110.6	L267 Y268 W408	L267-D270 PolarHBondContact N-OD2 2.91Å; L267-D270 WeakPolarHBondContact O-CB 3.49Å; L267-D270 VanDerWaalsContact O-CG 3.28Å; L267-D270 PolarHBondContact O-N 3.13Å; Y268-D270 VanDerWaalsContact C-N 3.3Å; D270-W408 PolarHBondContact O-NE1 2.66Å
271	K	88	Confident	81.5	Confident	183 Å²	183	64.8 Å²	64.8	80%	0.796	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-68.1	157.3	172.1	-65	-176.8	179.6	-179.4	0	110.3	K273	K271-K273 PolarHBondContact O-N 2.84Å
272	M	91.3	Very high	82.5	Confident	46 Å²	46	62 Å²	62	23%	0.227	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-55.2	134	168.9	-68.5	-179.1	-72.2	0	0	109.9	Q357 N402 H404 W408	M272-Q357 VanDerWaalsContact CA-O 3.27Å; M272-Q357 WeakPolarHBondContact CA-O 3.29Å; M272-N402 WeakPolarHBondContact CE-O 3.44Å; M272-N402 HydrophobicContact SD-CB 4.08Å; M272-N402 PolarHBondContact SD-ND2 3.04Å; M272-H404 HydrophobicContact CE-CB 4.49Å; M272-H404 WeakPolarHBondContact CE-ND1 3.3Å; M272-W408 HydrophobicContact CG-CB 4.09Å; M272-W408 HydrophobicContact CG-CG 4.45Å
273	K	89.7	Confident	83.7	Confident	129 Å²	129	60.4 Å²	60.4	56%	0.561	31%	0.313	S	S	*	.			trans	-148.3	136.1	-174.6	-175.3	175.3	179.6	-178.8	0	110.8	K271 G309 Q357	K271-K273 PolarHBondContact O-N 2.84Å; K273-G309 VanDerWaalsContact O-CA 3.25Å; K273-G309 WeakPolarHBondContact O-CA 3.49Å; K273-Q357 PolarHBondContact N-O 3.06Å
274	N	90.3	Very high	84.8	Confident	115 Å²	115	53 Å²	53	62%	0.615	27%	0.274	S	S	*	.			trans	-84.5	127.4	166.6	-61.2	-10.5	0	0	0	108.3	D358	N274-D358 WeakPolarHBondContact OD1-CB 3.26Å
275	C	88.4	Confident	85.4	Confident	16 Å²	16	52.4 Å²	52.4	11%	0.108	27%	0.272	C	S	.	.			trans	-147.1	151.2	171.4	70	0	0	0	0	109.8	D307 G309 R310	C275-D307 CarbonylContact O-C 3.42Å; C275-D307 VanDerWaalsContact O-C 3.32Å; C275-D307 WeakPolarHBondContact O-CA 3.49Å; C275-G309 PolarHBondContact O-N 3.36Å; C275-G309 VanDerWaalsContact O-N 3.09Å; C275-G309 WeakPolarHBondContact SG-CA 3.29Å; C275-R310 PolarHBondContact SG-N 2.93Å; C275-R310 PolarHBondContact SG-NH1 2.81Å
276	P	89.7	Confident	85.8	Confident	37 Å²	37	49.1 Å²	49.1	24%	0.24	26%	0.26	C	S	.	.			trans	-69.7	147.5	178.6	29.4	-35.8	0	0	0	111	D189 H190 H306	D189-P276 HydrophobicContact CB-CG 4.38Å; D189-P276 WeakPolarHBondContact O-CG 3.19Å; H190-P276 HydrophobicContact CB-CB 4.28Å; H190-P276 WeakPolarHBondContact CD2-CB 3.43Å; H190-P276 WeakPolarHBondContact NE2-CB 3.22Å; P276-H306 CarbonylContact C-O 3.58Å; P276-H306 WeakPolarHBondContact CA-O 3.4Å
277	G	89.8	Confident	85.6	Confident	4 Å²	4	47.3 Å²	47.3	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	176	176.7	0	0	0	0	0	112.3	H190 H306	H190-G277 PolarHBondContact ND1-O 3.34Å; G277-H306 PolarHBondContact N-O 3.35Å; G277-H306 PolarHBondContact O-N 3.05Å
278	V	91.1	Very high	84.4	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.5	174.5	-62.1	0	0	0	0	111.7	I186 H190 P192 Q280 I303 I304	I186-V278 HydrophobicContact CG2-CG1 4.39Å; H190-V278 HydrophobicContact CB-CG1 4.09Å; P192-V278 HydrophobicContact CG-CG2 3.71Å; V278-Q280 HydrophobicContact CG2-CG 4.45Å; V278-I303 HydrophobicContact CB-CG2 4.04Å; V278-I303 HydrophobicContact CG1-CG2 4.05Å; V278-I304 CarbonylContact C-O 3.58Å; V278-I304 WeakPolarHBondContact CA-O 3.48Å
279	I	93.7	Very high	82.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.8	163.5	-59.1	165.6	0	0	0	107.2	T256 I281 I303 I304 W308 I311 M314 L352 V354 F364	T256-I279 CarbonylContact O-C 3.55Å; T256-I279 WeakPolarHBondContact O-CA 3.16Å; I279-I281 HydrophobicContact CG2-CD1 4.17Å; I279-I303 CarbonylContact O-C 3.57Å; I279-I303 WeakPolarHBondContact O-CA 3.5Å; I279-I304 HydrophobicContact CB-CB 4.16Å; I279-I304 HydrophobicContact CB-CD1 4.28Å; I279-I304 HydrophobicContact CG2-CD1 4.32Å; I279-I304 PolarHBondContact N-O 2.84Å; I279-I304 PolarHBondContact O-N 2.85Å; I279-W308 HydrophobicContact CD1-CZ3 4.37Å; I279-I311 HydrophobicContact CD1-CD1 4.41Å; I279-I311 HydrophobicContact CD1-CG1 4.24Å; I279-I311 HydrophobicContact CG1-CG1 4.12Å; I279-M314 HydrophobicContact CG2-SD 3.86Å; I279-L352 HydrophobicContact CG2-CD2 4.08Å; I279-V354 HydrophobicContact CD1-CG1 4.03Å; I279-V354 HydrophobicContact CD1-CG2 3.85Å; I279-F364 HydrophobicContact CD1-CZ 4.17Å
280	Q	92	Very high	81	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132	-179.4	-50.3	166	13.7	0	0	108.5	L213 A224 A255 T256 V278 W282 I300	L213-Q280 VanDerWaalsContact CD2-CD 3.48Å; L213-Q280 HydrophobicContact CD2-CG 4.22Å; A224-Q280 PolarHBondContact O-NE2 2.8Å; A255-Q280 CarbonylContact C-O 3.51Å; A255-Q280 WeakPolarHBondContact CA-O 3.17Å; T256-Q280 PolarHBondContact N-O 2.92Å; T256-Q280 PolarHBondContact O-N 3.01Å; T256-Q280 WeakPolarHBondContact OG1-CB 3.48Å; T256-Q280 PolarHBondContact OG1-OE1 3.44Å; V278-Q280 HydrophobicContact CG2-CG 4.45Å; Q280-W282 VanDerWaalsContact OE1-NE1 3.16Å; Q280-I300 HydrophobicContact CB-CD1 4.15Å
281	I	92.1	Very high	79.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.3	171.8	-50.2	-58.4	0	0	0	106.7	F253 L254 A255 I279 H301 F302 W316 L349 L352 I366	F253-I281 HydrophobicContact CB-CG2 4.45Å; F253-I281 HydrophobicContact CD1-CG2 4.19Å; L254-I281 WeakPolarHBondContact O-CA 3.19Å; A255-I281 HydrophobicContact CB-CD1 3.67Å; I279-I281 HydrophobicContact CG2-CD1 4.17Å; I281-H301 HydrophobicContact CB-CB 4.49Å; I281-H301 HydrophobicContact CG2-CB 4.29Å; I281-H301 WeakPolarHBondContact O-CA 3.45Å; I281-H301 WeakPolarHBondContact O-CB 3.39Å; I281-H301 PolarHBondContact O-N 3.31Å; I281-F302 HydrophobicContact CB-CB 3.88Å; I281-F302 HydrophobicContact CG1-CB 3.96Å; I281-F302 PolarHBondContact N-O 2.86Å; I281-F302 PolarHBondContact O-N 2.91Å; I281-F302 VanDerWaalsContact O-N 3.15Å; I281-W316 HydrophobicContact CD1-CZ2 4.23Å; I281-L349 HydrophobicContact CG2-CD2 4.43Å; I281-L352 HydrophobicContact CD1-CD2 4.29Å; I281-I366 HydrophobicContact CD1-CD1 4.31Å; I281-I366 HydrophobicContact CD1-CG1 4.4Å; I281-I366 HydrophobicContact CG1-CD1 4.29Å; I281-I366 HydrophobicContact CG1-CG2 4.26Å; I281-I366 HydrophobicContact CG2-CG2 4.34Å
282	W	89.2	Confident	77.4	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132	179.2	-64.5	83.3	0	0	0	109.3	L213 I222 F253 L254 T256 Q280 P298 E299 I300	L213-W282 HydrophobicContact CB-CH2 4.36Å; L213-W282 HydrophobicContact CD2-CZ2 4.36Å; I222-W282 HydrophobicContact CG2-CD2 4.1Å; I222-W282 HydrophobicContact CG2-CE3 4.12Å; I222-W282 HydrophobicContact CG2-CH2 3.35Å; I222-W282 HydrophobicContact CG2-CZ2 3.32Å; I222-W282 HydrophobicContact CG2-CZ3 3.77Å; F253-W282 CarbonylContact C-O 3.57Å; F253-W282 WeakPolarHBondContact CA-O 3.43Å; L254-W282 HydrophobicContact CB-CB 4.32Å; L254-W282 PolarHBondContact N-O 3.28Å; L254-W282 PolarHBondContact O-N 3.37Å; T256-W282 PolarHBondContact OG1-NE1 3.42Å; Q280-W282 VanDerWaalsContact OE1-NE1 3.16Å; W282-P298 HydrophobicContact CE3-CB 4.16Å; W282-E299 CarbonylContact C-O 3.58Å; W282-E299 WeakPolarHBondContact CA-O 3.23Å; W282-I300 HydrophobicContact CD2-CD1 3.6Å; W282-I300 HydrophobicContact CD2-CG1 4.37Å; W282-I300 HydrophobicContact CE3-CD1 3.8Å; W282-I300 HydrophobicContact CE3-CG1 4.07Å; W282-I300 HydrophobicContact CG-CD1 4.34Å; W282-I300 HydrophobicContact CH2-CD1 3.57Å; W282-I300 HydrophobicContact CH2-CG1 3.79Å; W282-I300 HydrophobicContact CZ2-CD1 3.33Å; W282-I300 HydrophobicContact CZ2-CG1 4.09Å; W282-I300 HydrophobicContact CZ3-CD1 3.79Å; W282-I300 HydrophobicContact CZ3-CG1 3.76Å
283	N	86.5	Confident	75.5	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	107.7	164.3	177.4	-1.1	0	0	0	107.7	C251 F253 G285 P298 E299 H301	C251-N283 VanDerWaalsContact CB-OD1 3.28Å; C251-N283 WeakPolarHBondContact CB-OD1 3.33Å; C251-N283 PolarHBondContact SG-OD1 3.37Å; C251-N283 VanDerWaalsContact SG-OD1 3.38Å; F253-N283 HydrophobicContact CD1-CB 4.03Å; F253-N283 HydrophobicContact CE1-CB 3.75Å; F253-N283 HydrophobicContact CZ-CB 4.47Å; N283-G285 PolarHBondContact O-N 3.25Å; N283-G285 PolarHBondContact OD1-N 3.09Å; N283-P298 CarbonylContact O-C 3.57Å; N283-P298 VanDerWaalsContact O-CA 3.22Å; N283-P298 WeakPolarHBondContact O-CA 3.3Å; N283-E299 PolarHBondContact N-O 2.69Å; N283-E299 PolarHBondContact O-N 3.07Å; N283-H301 HydrophobicContact CB-CB 4.3Å
284	C	82	Confident	73.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	8.5	-178.9	-61.3	0	0	0	0	113.4	W233 S252 L287 L296	W233-C284 HydrophobicContact CH2-CB 3.97Å; W233-C284 HydrophobicContact CZ3-CB 4Å; S252-C284 WeakPolarHBondContact O-CB 3.46Å; S252-C284 PolarHBondContact O-N 3.02Å; C284-L287 HydrophobicContact CB-CD1 4.08Å; C284-L296 HydrophobicContact CB-CD1 4.28Å
285	G	77.7	Confident	72.2	Confident	15 Å²	15	44.1 Å²	44.1	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-168.6	-174.9	0	0	0	0	0	112.2	C251 S252 N283 L287	C251-G285 CarbonylContact C-O 3.55Å; C251-G285 WeakPolarHBondContact CA-O 3.5Å; S252-G285 PolarHBondContact N-O 2.79Å; N283-G285 PolarHBondContact O-N 3.25Å; N283-G285 PolarHBondContact OD1-N 3.09Å; G285-L287 PolarHBondContact O-N 3.01Å
286	V	73.7	Confident	71.3	Confident	58 Å²	58	43.9 Å²	43.9	35%	0.352	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	110.1	-179.5	-179.4	0	0	0	0	109.1	V248 S293	V248-V286 WeakPolarHBondContact O-CG1 3.38Å; V286-S293 WeakPolarHBondContact O-CB 3.21Å
287	L	66.7	Low	70.6	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.068	27%	0.27	C	S	.	.			trans	-104.9	112.7	173.3	-55.7	179.2	0	0	0	108.4	W233 C284 G285 S293 L296 L590 A606	W233-L287 HydrophobicContact CH2-CD1 3.63Å; W233-L287 HydrophobicContact CZ2-CD1 4.37Å; W233-L287 HydrophobicContact CZ3-CD1 3.97Å; C284-L287 HydrophobicContact CB-CD1 4.08Å; G285-L287 PolarHBondContact O-N 3.01Å; L287-S293 VanDerWaalsContact CD2-OG 3.28Å; L287-S293 WeakPolarHBondContact CD2-OG 3.34Å; L287-L296 HydrophobicContact CD2-CD1 3.92Å; L287-L590 HydrophobicContact CB-CD2 4.25Å; L287-L590 HydrophobicContact CD1-CD1 4.32Å; L287-A606 HydrophobicContact CD2-CB 4.44Å
288	G	54.7	Low	70.3	Confident	34 Å²	34	45.6 Å²	45.6	35%	0.351	27%	0.27	S	S	.	.			trans	-102.2	150.5	-178.7	0	0	0	0	0	113.2
289	L	47.6	Very low	70	Confident	109 Å²	109	50.8 Å²	50.8	57%	0.571	29%	0.293	S	S	*	.	S	Bend	trans	-68.6	-34.6	171.1	-74.6	171.1	0	0	0	112.9	S589 N591	L289-S589 WeakPolarHBondContact CD1-O 3.32Å; L289-S589 VanDerWaalsContact CD2-O 3.24Å; L289-S589 WeakPolarHBondContact CD2-O 3.42Å; L289-S589 WeakPolarHBondContact CG-O 3.32Å; L289-N591 HydrophobicContact CD2-CB 3.56Å
290	T	45.3	Very low	69.6	Low	137 Å²	137	51.9 Å²	51.9	84%	0.84	30%	0.299	S	S	*	.	S	Bend	trans	-92	-27.5	-167.6	48.7	0	0	0	0	113.3
291	E	46.5	Very low	69.3	Low	151 Å²	151	52.5 Å²	52.5	71%	0.706	30%	0.302	S	S	*	.	S	Bend	trans	-128.8	125.1	179.1	-65.9	-175.9	177	0	0	108.1	S293	E291-S293 PolarHBondContact O-N 3.16Å
292	V	47	Very low	69.1	Low	70 Å²	70	52.5 Å²	52.5	42%	0.424	30%	0.302	S	S	.	.			trans	-58.5	108.6	166	175.5	0	0	0	0	104.7	S294	V292-S294 PolarHBondContact O-N 3.24Å
293	S	52.3	Low	69.1	Low	27 Å²	27	52.6 Å²	52.6	19%	0.189	30%	0.303	C	S	.	.			trans	-60.5	109.6	176.9	61.6	0	0	0	0	106.9	V286 L287 E291 N295	V286-S293 WeakPolarHBondContact O-CB 3.21Å; L287-S293 VanDerWaalsContact CD2-OG 3.28Å; L287-S293 WeakPolarHBondContact CD2-OG 3.34Å; E291-S293 PolarHBondContact O-N 3.16Å; S293-N295 PolarHBondContact O-N 3.2Å
294	S	52.1	Low	69.3	Low	100 Å²	100	50.8 Å²	50.8	70%	0.699	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-5	172.1	58.4	0	0	0	0	112.5	V292	V292-S294 PolarHBondContact O-N 3.24Å
295	N	58	Low	69.7	Low	113 Å²	113	51.1 Å²	51.1	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	41	-167.6	-58.6	-19	0	0	0	111.9	S293 N297	S293-N295 PolarHBondContact O-N 3.2Å; N295-N297 PolarHBondContact O-N 2.87Å
296	L	69.5	Low	70.4	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.052	29%	0.289	C	S	.	.			trans	-56.8	116.1	164.7	-173.3	74.1	0	0	0	107.4	Y215 N220 C284 L287 P298 V604	Y215-L296 WeakPolarHBondContact CE1-O 3.42Å; Y215-L296 HydrophobicContact CE2-CD2 4.21Å; Y215-L296 PolarHBondContact OH-O 2.71Å; N220-L296 HydrophobicContact CB-CD2 4.31Å; C284-L296 HydrophobicContact CB-CD1 4.28Å; L287-L296 HydrophobicContact CD2-CD1 3.92Å; L296-P298 HydrophobicContact CD1-CG 3.92Å; L296-P298 HydrophobicContact CD2-CG 4.2Å; L296-P298 HydrophobicContact CG-CG 3.77Å; L296-V604 HydrophobicContact CD1-CB 4.23Å; L296-V604 HydrophobicContact CD1-CG1 3.8Å; L296-V604 HydrophobicContact CD2-CB 3.81Å; L296-V604 HydrophobicContact CD2-CG1 4.15Å
297	N	74.8	Confident	71.3	Confident	74 Å²	74	52 Å²	52	40%	0.396	30%	0.295	S	S	.	.			trans	-140.5	74.7	173.7	-173.8	47.6	0	0	0	109	N295 E299	N295-N297 PolarHBondContact O-N 2.87Å; N297-E299 PolarHBondContact ND2-OE1 3.34Å; N297-E299 PolarHBondContact O-N 2.83Å
298	P	83.2	Confident	72.5	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.026	30%	0.296	C	S	.	.			trans	-65.3	118.3	-178.7	-19.5	36.3	0	0	0	110.5	Y215 I222 W282 N283 L296	Y215-P298 VanDerWaalsContact CD1-CD 3.42Å; Y215-P298 HydrophobicContact CD2-CB 4.47Å; Y215-P298 HydrophobicContact CD2-CG 3.9Å; Y215-P298 VanDerWaalsContact CE2-CD 3.46Å; Y215-P298 HydrophobicContact CE2-CG 3.9Å; Y215-P298 HydrophobicContact CG-CG 4.25Å; I222-P298 HydrophobicContact CD1-CB 3.48Å; I222-P298 VanDerWaalsContact CD1-CB 3.48Å; I222-P298 HydrophobicContact CD1-CG 3.71Å; I222-P298 HydrophobicContact CG1-CB 3.9Å; I222-P298 HydrophobicContact CG1-CG 4Å; W282-P298 HydrophobicContact CE3-CB 4.16Å; N283-P298 CarbonylContact O-C 3.57Å; N283-P298 VanDerWaalsContact O-CA 3.22Å; N283-P298 WeakPolarHBondContact O-CA 3.3Å; L296-P298 HydrophobicContact CD1-CG 3.92Å; L296-P298 HydrophobicContact CD2-CG 4.2Å; L296-P298 HydrophobicContact CG-CG 3.77Å
299	E	85.1	Confident	74.2	Confident	110 Å²	110	51 Å²	51	51%	0.514	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.6	175.9	-69.5	-179	-177.2	0	0	110.2	W282 N283 N297 H301	W282-E299 CarbonylContact C-O 3.58Å; W282-E299 WeakPolarHBondContact CA-O 3.23Å; N283-E299 PolarHBondContact N-O 2.69Å; N283-E299 PolarHBondContact O-N 3.07Å; N297-E299 PolarHBondContact ND2-OE1 3.34Å; N297-E299 PolarHBondContact O-N 2.83Å; E299-H301 PolarHBondContact O-N 3.5Å; E299-H301 VanDerWaalsContact O-N 3.16Å
300	I	86.9	Confident	76.2	Confident	24 Å²	24	47.5 Å²	47.5	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	117.7	172.7	-71.2	-69.1	0	0	0	109.2	L213 Q280 W282 I303 F383	L213-I300 HydrophobicContact CB-CD1 4.44Å; L213-I300 HydrophobicContact CB-CG1 4.03Å; L213-I300 HydrophobicContact CD2-CD1 4.08Å; Q280-I300 HydrophobicContact CB-CD1 4.15Å; W282-I300 HydrophobicContact CD2-CD1 3.6Å; W282-I300 HydrophobicContact CD2-CG1 4.37Å; W282-I300 HydrophobicContact CE3-CD1 3.8Å; W282-I300 HydrophobicContact CE3-CG1 4.07Å; W282-I300 HydrophobicContact CG-CD1 4.34Å; W282-I300 HydrophobicContact CH2-CD1 3.57Å; W282-I300 HydrophobicContact CH2-CG1 3.79Å; W282-I300 HydrophobicContact CZ2-CD1 3.33Å; W282-I300 HydrophobicContact CZ2-CG1 4.09Å; W282-I300 HydrophobicContact CZ3-CD1 3.79Å; W282-I300 HydrophobicContact CZ3-CG1 3.76Å; I300-I303 HydrophobicContact CG2-CD1 4.04Å; I300-I303 HydrophobicContact CG2-CG1 3.69Å; I300-F383 HydrophobicContact CG2-CB 3.93Å; I300-F383 HydrophobicContact CG2-CD2 4.33Å; I300-F383 HydrophobicContact CG2-CG 4.24Å
301	H	85.2	Confident	78.5	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.065	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-44.2	172.5	-177.6	69.4	0	0	0	111.5	F253 I281 N283 E299 P367 T368	F253-H301 HydrophobicContact CD1-CB 4.35Å; F253-H301 HydrophobicContact CE1-CB 4.19Å; F253-H301 AromaticContact CE1-CD2 3.95Å; F253-H301 AromaticContact CE1-CG 3.74Å; F253-H301 AromaticContact CE1-ND1 3.84Å; I281-H301 HydrophobicContact CB-CB 4.49Å; I281-H301 HydrophobicContact CG2-CB 4.29Å; I281-H301 WeakPolarHBondContact O-CA 3.45Å; I281-H301 WeakPolarHBondContact O-CB 3.39Å; I281-H301 PolarHBondContact O-N 3.31Å; N283-H301 HydrophobicContact CB-CB 4.3Å; E299-H301 PolarHBondContact O-N 3.5Å; E299-H301 VanDerWaalsContact O-N 3.16Å; H301-P367 PolarHBondContact NE2-O 3.33Å; H301-T368 PolarHBondContact CE1-O 3.47Å
302	F	87	Confident	80.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	142.3	-173.7	-144	-103.5	0	0	0	111.2	W179 I281 I304 P367 Y385	W179-F302 HydrophobicContact CB-CZ 4.15Å; W179-F302 AromaticContact CD2-CE1 3.72Å; W179-F302 HydrophobicContact CD2-CE1 3.72Å; W179-F302 AromaticContact CD2-CZ 3.66Å; W179-F302 HydrophobicContact CD2-CZ 3.66Å; W179-F302 AromaticContact CE3-CE1 3.54Å; W179-F302 HydrophobicContact CE3-CE1 3.54Å; W179-F302 AromaticContact CE3-CZ 3.86Å; W179-F302 HydrophobicContact CE3-CZ 3.86Å; W179-F302 HydrophobicContact CG-CE1 4.36Å; W179-F302 AromaticContact CG-CZ 3.81Å; W179-F302 HydrophobicContact CG-CZ 3.81Å; W179-F302 HydrophobicContact CH2-CE1 4.08Å; W179-F302 HydrophobicContact CZ2-CE1 4.25Å; W179-F302 AromaticContact CZ3-CE1 3.72Å; W179-F302 HydrophobicContact CZ3-CE1 3.72Å; W179-F302 HydrophobicContact CZ3-CZ 4.48Å; I281-F302 HydrophobicContact CB-CB 3.88Å; I281-F302 HydrophobicContact CG1-CB 3.96Å; I281-F302 PolarHBondContact N-O 2.86Å; I281-F302 PolarHBondContact O-N 2.91Å; I281-F302 VanDerWaalsContact O-N 3.15Å; F302-I304 HydrophobicContact CD1-CD1 4.35Å; F302-I304 HydrophobicContact CD1-CG1 3.61Å; F302-I304 HydrophobicContact CE1-CG1 3.98Å; F302-P367 HydrophobicContact CD2-CG 4.08Å; F302-P367 HydrophobicContact CE2-CG 3.57Å; F302-P367 HydrophobicContact CZ-CG 3.95Å; F302-Y385 AromaticContact CD1-CD2 3.9Å; F302-Y385 HydrophobicContact CD1-CD2 3.9Å; F302-Y385 AromaticContact CD2-CD2 3.59Å; F302-Y385 HydrophobicContact CD2-CD2 3.59Å; F302-Y385 AromaticContact CD2-CE2 3.51Å; F302-Y385 HydrophobicContact CD2-CE2 3.51Å; F302-Y385 AromaticContact CE1-CD2 3.49Å; F302-Y385 HydrophobicContact CE1-CD2 3.49Å; F302-Y385 VanDerWaalsContact CE1-CD2 3.49Å; F302-Y385 HydrophobicContact CE1-CE2 4.37Å; F302-Y385 AromaticContact CE1-CG 3.7Å; F302-Y385 HydrophobicContact CE1-CG 3.7Å; F302-Y385 HydrophobicContact CE2-CD1 4.18Å; F302-Y385 AromaticContact CE2-CD2 3.14Å; F302-Y385 HydrophobicContact CE2-CD2 3.14Å; F302-Y385 HydrophobicContact CE2-CE1 4.2Å; F302-Y385 AromaticContact CE2-CE2 3.18Å; F302-Y385 HydrophobicContact CE2-CE2 3.18Å; F302-Y385 AromaticContact CE2-CG 3.68Å; F302-Y385 HydrophobicContact CE2-CG 3.68Å; F302-Y385 AromaticContact CE2-CZ 3.75Å; F302-Y385 AromaticContact CG-CD2 3.95Å; F302-Y385 HydrophobicContact CG-CD2 3.95Å; F302-Y385 HydrophobicContact CG-CE2 4.25Å; F302-Y385 AromaticContact CZ-CD1 3.87Å; F302-Y385 HydrophobicContact CZ-CD1 3.87Å; F302-Y385 AromaticContact CZ-CD2 3.1Å; F302-Y385 HydrophobicContact CZ-CD2 3.1Å; F302-Y385 HydrophobicContact CZ-CE1 4.35Å; F302-Y385 AromaticContact CZ-CE2 3.69Å; F302-Y385 HydrophobicContact CZ-CE2 3.69Å; F302-Y385 AromaticContact CZ-CG 3.21Å; F302-Y385 HydrophobicContact CZ-CG 3.21Å
303	I	89.5	Confident	82.7	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.4	171.2	-55	171.4	0	0	0	107.6	I186 L213 V278 I279 I300 F383 A384 Y385	I186-I303 HydrophobicContact CD1-CD1 3.97Å; I186-I303 HydrophobicContact CD1-CG2 3.95Å; L213-I303 HydrophobicContact CD1-CD1 3.53Å; V278-I303 HydrophobicContact CB-CG2 4.04Å; V278-I303 HydrophobicContact CG1-CG2 4.05Å; I279-I303 CarbonylContact O-C 3.57Å; I279-I303 WeakPolarHBondContact O-CA 3.5Å; I300-I303 HydrophobicContact CG2-CD1 4.04Å; I300-I303 HydrophobicContact CG2-CG1 3.69Å; I303-F383 WeakPolarHBondContact CA-O 3.3Å; I303-F383 WeakPolarHBondContact CB-O 3.28Å; I303-F383 PolarHBondContact N-O 3.14Å; I303-A384 CarbonylContact O-C 3.56Å; I303-A384 WeakPolarHBondContact O-CA 2.97Å; I303-Y385 PolarHBondContact O-N 2.93Å
304	I	91.2	Very high	84.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.6	-179.1	-54.4	167	0	0	0	107.8	W179 V278 I279 F302 W308 F364 I366 Y385	W179-I304 HydrophobicContact CH2-CD1 3.83Å; W179-I304 HydrophobicContact CH2-CG1 3.93Å; W179-I304 HydrophobicContact CH2-CG2 4.18Å; W179-I304 HydrophobicContact CZ3-CB 4.43Å; W179-I304 HydrophobicContact CZ3-CD1 4.35Å; W179-I304 HydrophobicContact CZ3-CG1 3.94Å; W179-I304 HydrophobicContact CZ3-CG2 3.85Å; V278-I304 CarbonylContact C-O 3.58Å; V278-I304 WeakPolarHBondContact CA-O 3.48Å; I279-I304 HydrophobicContact CB-CB 4.16Å; I279-I304 HydrophobicContact CB-CD1 4.28Å; I279-I304 HydrophobicContact CG2-CD1 4.32Å; I279-I304 PolarHBondContact N-O 2.84Å; I279-I304 PolarHBondContact O-N 2.85Å; F302-I304 HydrophobicContact CD1-CD1 4.35Å; F302-I304 HydrophobicContact CD1-CG1 3.61Å; F302-I304 HydrophobicContact CE1-CG1 3.98Å; I304-W308 HydrophobicContact CG2-CH2 4.48Å; I304-F364 HydrophobicContact CD1-CE2 3.58Å; I304-F364 HydrophobicContact CD1-CZ 4.12Å; I304-I366 HydrophobicContact CD1-CD1 3.58Å; I304-Y385 CarbonylContact C-O 3.51Å; I304-Y385 WeakPolarHBondContact CA-O 3.4Å
305	S	90.8	Very high	86.6	Confident	7 Å²	7	29.2 Å²	29.2	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.3	172.3	-175.7	0	0	0	0	109.7	H190 Y385	H190-S305 PolarHBondContact CE1-OG 2.86Å; H190-S305 PolarHBondContact ND1-OG 2.96Å; S305-Y385 PolarHBondContact N-O 3.48Å
306	H	91.6	Very high	88.3	Confident	6 Å²	6	24.2 Å²	24.2	3%	0.028	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	163	179.6	67.6	82.2	0	0	0	112.9	H190 P276 G277 W308 G309 I311	H190-H306 PolarHBondContact CE1-O 2.94Å; H190-H306 PolarHBondContact ND1-O 2.99Å; P276-H306 CarbonylContact C-O 3.58Å; P276-H306 WeakPolarHBondContact CA-O 3.4Å; G277-H306 PolarHBondContact N-O 3.35Å; G277-H306 PolarHBondContact O-N 3.05Å; H306-W308 HydrophobicContact CB-CD2 3.47Å; H306-W308 VanDerWaalsContact CB-CD2 3.47Å; H306-W308 HydrophobicContact CB-CE3 3.61Å; H306-W308 HydrophobicContact CB-CG 3.89Å; H306-W308 HydrophobicContact CB-CH2 4.27Å; H306-W308 HydrophobicContact CB-CZ2 4.14Å; H306-W308 HydrophobicContact CB-CZ3 4.01Å; H306-W308 AromaticContact CG-CD2 3.91Å; H306-W308 AromaticContact CG-CE3 3.71Å; H306-W308 PolarHBondContact ND1-N 3.39Å; H306-G309 PolarHBondContact CE1-O 3.13Å; H306-G309 VanDerWaalsContact CE1-O 3.28Å; H306-I311 VanDerWaalsContact CE1-CD1 3.43Å; H306-I311 WeakPolarHBondContact CE1-CD1 3.43Å
307	D	91.7	Very high	89.4	Confident	87 Å²	87	23.8 Å²	23.8	47%	0.465	12%	0.121	S	C	.	.			trans	-116.8	18.5	174.8	-66.1	-34.4	0	0	0	112.5	H190 C275 G309	H190-D307 IonicContact CE1-OD1 3.96Å; H190-D307 PolarHBondContact CE1-OD1 2.96Å; H190-D307 IonicContact NE2-OD1 3.53Å; H190-D307 PolarHBondContact NE2-OD1 2.72Å; C275-D307 CarbonylContact O-C 3.42Å; C275-D307 VanDerWaalsContact O-C 3.32Å; C275-D307 WeakPolarHBondContact O-CA 3.49Å; D307-G309 PolarHBondContact O-N 3.02Å; D307-G309 VanDerWaalsContact O-N 3.09Å
308	W	92.7	Very high	90	Very high	25 Å²	25	21.7 Å²	21.7	10%	0.095	11%	0.111	C	C	.	.	S	Bend	trans	-74.4	9	-172.3	-52.4	-28.7	0	0	0	115.3	I279 I304 H306 C356 D358 R362 F364	I279-W308 HydrophobicContact CD1-CZ3 4.37Å; I304-W308 HydrophobicContact CG2-CH2 4.48Å; H306-W308 HydrophobicContact CB-CD2 3.47Å; H306-W308 VanDerWaalsContact CB-CD2 3.47Å; H306-W308 HydrophobicContact CB-CE3 3.61Å; H306-W308 HydrophobicContact CB-CG 3.89Å; H306-W308 HydrophobicContact CB-CH2 4.27Å; H306-W308 HydrophobicContact CB-CZ2 4.14Å; H306-W308 HydrophobicContact CB-CZ3 4.01Å; H306-W308 AromaticContact CG-CD2 3.91Å; H306-W308 AromaticContact CG-CE3 3.71Å; H306-W308 PolarHBondContact ND1-N 3.39Å; W308-C356 HydrophobicContact CB-CB 4.06Å; W308-C356 WeakPolarHBondContact O-CB 3.1Å; W308-D358 WeakPolarHBondContact O-CB 3.41Å; W308-D358 PolarHBondContact O-N 3.5Å; W308-R362 VanDerWaalsContact CD1-CZ 3.49Å; W308-R362 VanDerWaalsContact CD2-CD 3.47Å; W308-R362 VanDerWaalsContact CE2-CD 3.48Å; W308-F364 HydrophobicContact CH2-CD1 4.2Å; W308-F364 AromaticContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CZ 4.28Å; W308-F364 HydrophobicContact CZ3-CD1 4.46Å; W308-F364 AromaticContact CZ3-CE1 3.63Å; W308-F364 HydrophobicContact CZ3-CE1 3.63Å; W308-F364 HydrophobicContact CZ3-CZ 4.07Å
309	G	90.6	Very high	90	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.			trans	83.2	-171.5	-169.5	0	0	0	0	0	111.8	K273 C275 H306 D307	K273-G309 VanDerWaalsContact O-CA 3.25Å; K273-G309 WeakPolarHBondContact O-CA 3.49Å; C275-G309 PolarHBondContact O-N 3.36Å; C275-G309 VanDerWaalsContact O-N 3.09Å; C275-G309 WeakPolarHBondContact SG-CA 3.29Å; H306-G309 PolarHBondContact CE1-O 3.13Å; H306-G309 VanDerWaalsContact CE1-O 3.28Å; D307-G309 PolarHBondContact O-N 3.02Å; D307-G309 VanDerWaalsContact O-N 3.09Å
310	R	90.3	Very high	89.7	Confident	35 Å²	35	16.6 Å²	16.6	13%	0.132	9%	0.088	C	C	.	.			trans	-66.6	138.6	176.6	-64.7	-77.9	-178.6	-110.4	9.9	110.1	P260 S264 T266 C275 T312 Q357	P260-R310 VanDerWaalsContact CD-CZ 3.46Å; P260-R310 VanDerWaalsContact CG-NH1 3.27Å; S264-R310 PolarHBondContact OG-NH2 2.72Å; T266-R310 WeakPolarHBondContact OG1-CG 3.34Å; C275-R310 PolarHBondContact SG-N 2.93Å; C275-R310 PolarHBondContact SG-NH1 2.81Å; R310-T312 PolarHBondContact O-N 3.49Å; R310-Q357 HydrophobicContact CB-CB 4.06Å; R310-Q357 PolarHBondContact O-N 2.98Å
311	I	92.3	Very high	89.4	Confident	6 Å²	6	15.5 Å²	15.5	3%	0.031	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.4	168.7	-52.6	-42.6	0	0	0	107.6	T229 S257 I279 H306 D313 M314 V354 A355	T229-I311 PolarHBondContact OG1-O 3.24Å; S257-I311 WeakPolarHBondContact OG-CB 3.4Å; S257-I311 WeakPolarHBondContact OG-CG1 3.26Å; I279-I311 HydrophobicContact CD1-CD1 4.41Å; I279-I311 HydrophobicContact CD1-CG1 4.24Å; I279-I311 HydrophobicContact CG1-CG1 4.12Å; H306-I311 VanDerWaalsContact CE1-CD1 3.43Å; H306-I311 WeakPolarHBondContact CE1-CD1 3.43Å; I311-D313 WeakPolarHBondContact CG2-O 3.42Å; I311-M314 HydrophobicContact CG2-CB 4.28Å; I311-V354 HydrophobicContact CB-CG1 4.34Å; I311-V354 HydrophobicContact CD1-CG1 3.38Å; I311-V354 HydrophobicContact CG1-CG1 3.97Å; I311-V354 HydrophobicContact CG2-CG1 3.61Å; I311-A355 WeakPolarHBondContact CA-O 3.34Å
312	T	89.9	Confident	88.9	Confident	32 Å²	32	15.8 Å²	15.8	20%	0.196	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-32.4	-174.1	50.9	0	0	0	0	111.5	R310 A355 W408 P409	R310-T312 PolarHBondContact O-N 3.49Å; T312-A355 PolarHBondContact N-O 2.85Å; T312-A355 WeakPolarHBondContact OG1-CB 3.06Å; T312-A355 PolarHBondContact OG1-O 2.96Å; T312-W408 HydrophobicContact CG2-CE3 3.68Å; T312-W408 HydrophobicContact CG2-CH2 4.26Å; T312-W408 HydrophobicContact CG2-CZ3 3.42Å; T312-W408 VanDerWaalsContact CG2-CZ3 3.42Å; T312-P409 WeakPolarHBondContact CB-O 3.49Å; T312-P409 PolarHBondContact OG1-O 2.87Å
313	D	92.4	Very high	88.3	Confident	39 Å²	39	16.4 Å²	16.4	21%	0.209	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156.4	173	-170.4	32.2	0	0	0	111	I311 A355 C411 T412	I311-D313 WeakPolarHBondContact CG2-O 3.42Å; D313-A355 HydrophobicContact CB-CB 4.07Å; D313-A355 PolarHBondContact O-N 2.79Å; D313-C411 WeakPolarHBondContact OD2-CA 3.48Å; D313-T412 WeakPolarHBondContact OD2-CA 3.49Å; D313-T412 WeakPolarHBondContact OD2-CB 3.38Å; D313-T412 PolarHBondContact OD2-N 2.71Å; D313-T412 PolarHBondContact OD2-OG1 2.84Å
314	M	93.2	Very high	87.2	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.02	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	130.2	-177.6	-176.8	172.4	63.5	0	0	110.5	C230 S232 A255 I279 I311 L352 I353 V354	C230-M314 HydrophobicContact CB-CB 3.82Å; C230-M314 HydrophobicContact CB-CE 4.11Å; S232-M314 WeakPolarHBondContact CB-O 3.38Å; A255-M314 HydrophobicContact CB-CE 3.52Å; A255-M314 HydrophobicContact CB-SD 3.86Å; A255-M314 VanDerWaalsContact O-CE 3.26Å; A255-M314 WeakPolarHBondContact O-CE 3.35Å; I279-M314 HydrophobicContact CG2-SD 3.86Å; I311-M314 HydrophobicContact CG2-CB 4.28Å; M314-L352 HydrophobicContact CG-CD1 3.6Å; M314-L352 HydrophobicContact CG-CD2 4.29Å; M314-L352 HydrophobicContact CG-CG 4.03Å; M314-L352 HydrophobicContact SD-CD1 3.95Å; M314-L352 HydrophobicContact SD-CD2 3.77Å; M314-L352 HydrophobicContact SD-CG 4.18Å; M314-I353 WeakPolarHBondContact CA-O 3.45Å; M314-V354 HydrophobicContact CG-CG2 4.38Å
315	C	93.2	Very high	86	Confident	21 Å²	21	18.8 Å²	18.8	14%	0.142	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.4	171.7	63.3	0	0	0	0	111.4	S232 I353 T412	S232-C315 WeakPolarHBondContact OG-CA 3.34Å; C315-I353 PolarHBondContact N-O 3.36Å; C315-I353 WeakPolarHBondContact O-CA 3.46Å; C315-I353 VanDerWaalsContact O-CB 3.28Å; C315-I353 WeakPolarHBondContact O-CB 3.24Å; C315-I353 PolarHBondContact O-N 2.83Å; C315-T412 PolarHBondContact SG-OG1 3.37Å
316	W	93.1	Very high	84.8	Confident	8 Å²	8	24.7 Å²	24.7	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	149.9	169.5	-65.5	85.6	0	0	0	111	S232 C234 P235 A255 I281 P318 L349 L352 I366	S232-W316 PolarHBondContact O-NE1 2.69Å; S232-W316 VanDerWaalsContact OG-CD1 3.31Å; S232-W316 PolarHBondContact OG-N 3.48Å; C234-W316 HydrophobicContact CB-CD2 3.95Å; C234-W316 HydrophobicContact CB-CE3 4.33Å; C234-W316 HydrophobicContact CB-CG 4.44Å; C234-W316 HydrophobicContact CB-CH2 4.14Å; C234-W316 HydrophobicContact CB-CZ2 3.76Å; C234-W316 HydrophobicContact CB-CZ3 4.42Å; C234-W316 VanDerWaalsContact SG-CE3 3.58Å; C234-W316 VanDerWaalsContact SG-CZ3 3.54Å; P235-W316 VanDerWaalsContact CD-CB 3.48Å; P235-W316 HydrophobicContact CG-CB 4.48Å; A255-W316 HydrophobicContact CB-CZ2 3.95Å; I281-W316 HydrophobicContact CD1-CZ2 4.23Å; W316-P318 WeakPolarHBondContact O-CD 3.49Å; W316-L349 HydrophobicContact CH2-CD2 4.02Å; W316-L349 HydrophobicContact CH2-CG 4.41Å; W316-L352 HydrophobicContact CD2-CD1 3.79Å; W316-L352 HydrophobicContact CE3-CB 4.4Å; W316-L352 HydrophobicContact CE3-CD1 4.36Å; W316-L352 HydrophobicContact CG-CD1 3.99Å; W316-L352 HydrophobicContact CZ2-CD1 4.27Å; W316-I366 HydrophobicContact CH2-CB 3.91Å; W316-I366 HydrophobicContact CH2-CG1 3.55Å; W316-I366 HydrophobicContact CH2-CG2 4.3Å; W316-I366 HydrophobicContact CZ3-CB 4.07Å; W316-I366 HydrophobicContact CZ3-CG1 3.76Å
317	I	93	Very high	83.3	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.146	C	C	.	.			trans	-59.4	119	162.5	-66.9	-74.4	0	0	0	107.2	F154 P235 V319 H351 I353 I414 L436	F154-I317 HydrophobicContact CE2-CD1 4.31Å; F154-I317 HydrophobicContact CE2-CG1 4.21Å; F154-I317 HydrophobicContact CZ-CD1 4.34Å; P235-I317 WeakPolarHBondContact CG-O 3.4Å; I317-V319 HydrophobicContact CG2-CG2 3.46Å; I317-V319 VanDerWaalsContact CG2-CG2 3.46Å; I317-V319 PolarHBondContact O-N 3.35Å; I317-H351 HydrophobicContact CB-CB 4.04Å; I317-H351 HydrophobicContact CG1-CB 3.64Å; I317-H351 PolarHBondContact N-O 3.15Å; I317-I353 HydrophobicContact CD1-CD1 3.5Å; I317-I353 HydrophobicContact CD1-CG1 3.93Å; I317-I353 HydrophobicContact CG1-CD1 4.07Å; I317-I353 HydrophobicContact CG1-CG1 4.03Å; I317-I414 HydrophobicContact CD1-CD1 3.7Å; I317-L436 HydrophobicContact CD1-CD1 3.34Å
318	P	86.6	Confident	81.7	Confident	30 Å²	30	25.2 Å²	25.2	20%	0.195	13%	0.131	C	C	.	.	S	Bend	trans	-82.5	37.3	-165.3	34.2	-38	0	0	0	112.9	W316 I414 R416	W316-P318 WeakPolarHBondContact O-CD 3.49Å; P318-I414 HydrophobicContact CG-CG1 4.11Å; P318-I414 HydrophobicContact CG-CG2 4.22Å; P318-R416 HydrophobicContact CB-CB 4.18Å; P318-R416 HydrophobicContact CG-CB 4.35Å; P318-R416 WeakPolarHBondContact O-CB 3.4Å; P318-R416 WeakPolarHBondContact O-CD 3.44Å; P318-R416 VanDerWaalsContact O-CG 3.23Å; P318-R416 WeakPolarHBondContact O-CG 3.41Å
319	V	83.2	Confident	80.3	Confident	3 Å²	3	27 Å²	27	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-139.2	151.4	176.8	-67.8	0	0	0	0	110	T150 N152 I317 R416 P419	T150-V319 HydrophobicContact CG2-CG1 3.5Å; T150-V319 VanDerWaalsContact CG2-CG1 3.5Å; N152-V319 HydrophobicContact CB-CG2 4.5Å; I317-V319 HydrophobicContact CG2-CG2 3.46Å; I317-V319 VanDerWaalsContact CG2-CG2 3.46Å; I317-V319 PolarHBondContact O-N 3.35Å; V319-R416 HydrophobicContact CG1-CG 4.14Å; V319-P419 HydrophobicContact CG1-CB 3.69Å; V319-P419 HydrophobicContact CG1-CG 4.18Å; V319-P419 HydrophobicContact CG2-CB 4.05Å
320	S	80.2	Confident	78.9	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.021	17%	0.172	C	C	.	.			trans	-63.8	145.5	175.8	175.8	0	0	0	0	110.4	N152 F322 S323	N152-S320 PolarHBondContact ND2-O 3.1Å; S320-F322 PolarHBondContact O-N 3.24Å; S320-F322 VanDerWaalsContact O-N 3.08Å; S320-F322 WeakPolarHBondContact OG-CD2 2.77Å; S320-F322 PolarHBondContact OG-N 3.31Å; S320-S323 PolarHBondContact N-OG 2.64Å; S320-S323 WeakPolarHBondContact O-CB 3.39Å; S320-S323 PolarHBondContact O-N 3.41Å; S320-S323 PolarHBondContact O-OG 2.65Å
321	P	79.9	Confident	77.3	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-28	167.1	-28.3	37	0	0	0	113.1	L155 F173 V345 V348 L349	L155-P321 WeakPolarHBondContact CD1-O 3.36Å; F173-P321 HydrophobicContact CE1-CB 4.45Å; P321-V345 HydrophobicContact CB-CG1 3.79Å; P321-V345 VanDerWaalsContact O-CG1 3.26Å; P321-V345 WeakPolarHBondContact O-CG1 3.21Å; P321-V348 HydrophobicContact CB-CB 4.34Å; P321-V348 HydrophobicContact CB-CG1 4.21Å; P321-V348 HydrophobicContact CG-CB 4.41Å; P321-V348 HydrophobicContact CG-CG1 3.93Å; P321-L349 WeakPolarHBondContact CG-O 3.33Å
322	F	74.9	Confident	75.5	Confident	21 Å²	21	35 Å²	35	9%	0.092	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.1	-178.3	-60.5	-73	0	0	0	114.8	R237 S239 S320 G324 I325 V345 D346	R237-F322 HydrophobicContact CB-CD2 4.41Å; R237-F322 HydrophobicContact CB-CE2 4.35Å; S239-F322 WeakPolarHBondContact OG-CB 3.31Å; S239-F322 WeakPolarHBondContact OG-CD2 3.3Å; S239-F322 WeakPolarHBondContact OG-CG 3.34Å; S320-F322 PolarHBondContact O-N 3.24Å; S320-F322 VanDerWaalsContact O-N 3.08Å; S320-F322 WeakPolarHBondContact OG-CD2 2.77Å; S320-F322 PolarHBondContact OG-N 3.31Å; F322-G324 PolarHBondContact O-N 2.91Å; F322-G324 VanDerWaalsContact O-N 3.15Å; F322-I325 HydrophobicContact CD1-CD1 4.05Å; F322-I325 VanDerWaalsContact O-CB 3.29Å; F322-I325 WeakPolarHBondContact O-CB 3.4Å; F322-I325 WeakPolarHBondContact O-CG2 3.37Å; F322-I325 PolarHBondContact O-N 2.78Å; F322-V345 HydrophobicContact CD1-CB 4.32Å; F322-V345 HydrophobicContact CD1-CG1 3.4Å; F322-V345 VanDerWaalsContact CD1-CG1 3.4Å; F322-V345 HydrophobicContact CE1-CB 4.29Å; F322-V345 HydrophobicContact CE1-CG1 3.68Å; F322-V345 HydrophobicContact CG-CG1 4Å; F322-D346 WeakPolarHBondContact CE1-OD1 3.21Å; F322-D346 VanDerWaalsContact CZ-OD1 3.24Å; F322-D346 WeakPolarHBondContact CZ-OD1 3.41Å
323	S	73.8	Confident	73.7	Confident	13 Å²	13	38.4 Å²	38.4	9%	0.091	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	118.8	179	-73.3	0	0	0	0	110.5	T150 N152 S320	T150-S323 WeakPolarHBondContact O-CB 3.4Å; N152-S323 VanDerWaalsContact CB-O 3.25Å; N152-S323 WeakPolarHBondContact CB-O 3.38Å; N152-S323 PolarHBondContact N-O 3.23Å; S320-S323 PolarHBondContact N-OG 2.64Å; S320-S323 WeakPolarHBondContact O-CB 3.39Å; S320-S323 PolarHBondContact O-N 3.41Å; S320-S323 PolarHBondContact O-OG 2.65Å
324	G	65.4	Low	71.7	Confident	25 Å²	25	40.9 Å²	40.9	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	1	-175.6	0	0	0	0	0	115.7	F322 K326 E327 L328	F322-G324 PolarHBondContact O-N 2.91Å; F322-G324 VanDerWaalsContact O-N 3.15Å; G324-K326 VanDerWaalsContact C-N 3.33Å; G324-K326 PolarHBondContact O-N 2.75Å; G324-E327 PolarHBondContact O-N 2.95Å; G324-L328 PolarHBondContact O-N 2.78Å
325	I	67.1	Low	69.5	Low	28 Å²	28	49.4 Å²	49.4	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-33.8	-177.3	-156.8	163	0	0	0	113.5	F322 E327 L328 V329 I342 V345	F322-I325 HydrophobicContact CD1-CD1 4.05Å; F322-I325 VanDerWaalsContact O-CB 3.29Å; F322-I325 WeakPolarHBondContact O-CB 3.4Å; F322-I325 WeakPolarHBondContact O-CG2 3.37Å; F322-I325 PolarHBondContact O-N 2.78Å; I325-E327 VanDerWaalsContact C-N 3.33Å; I325-E327 PolarHBondContact O-N 3.15Å; I325-L328 WeakPolarHBondContact O-CB 3.42Å; I325-L328 PolarHBondContact O-N 2.79Å; I325-L328 VanDerWaalsContact O-N 3.17Å; I325-V329 WeakPolarHBondContact O-CG2 3.15Å; I325-V329 PolarHBondContact O-N 2.78Å; I325-I342 HydrophobicContact CD1-CG1 3.97Å; I325-V345 HydrophobicContact CD1-CB 4.45Å; I325-V345 HydrophobicContact CD1-CG1 4.45Å
326	K	65	Low	67	Low	130 Å²	130	52.1 Å²	52.1	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-60	-41.6	177.8	-68.8	-175.1	179.9	-179.3	0	112.2	S240 G324 T330	S240-K326 WeakPolarHBondContact OG-CE 3.21Å; S240-K326 PolarHBondContact OG-NZ 3.34Å; G324-K326 VanDerWaalsContact C-N 3.33Å; G324-K326 PolarHBondContact O-N 2.75Å; K326-T330 PolarHBondContact O-N 3.4Å; K326-T330 PolarHBondContact O-OG1 2.88Å
327	E	60.2	Low	64.6	Low	73 Å²	73	53.7 Å²	53.7	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-70.3	-37.9	176.8	-168.6	-176	158	0	0	111.2	Q151 G324 I325 T330 K331	Q151-E327 PolarHBondContact NE2-OE2 3.05Å; G324-E327 PolarHBondContact O-N 2.95Å; I325-E327 VanDerWaalsContact C-N 3.33Å; I325-E327 PolarHBondContact O-N 3.15Å; E327-T330 PolarHBondContact O-N 2.92Å; E327-K331 HydrophobicContact CG-CD 4.28Å; E327-K331 WeakPolarHBondContact O-CB 3.4Å; E327-K331 PolarHBondContact O-N 2.96Å; E327-K331 WeakPolarHBondContact OE1-CE 3.47Å; E327-K331 IonicContact OE1-NZ 3.83Å; E327-K331 PolarHBondContact OE1-NZ 3.44Å
328	L	59.5	Low	61.9	Low	32 Å²	32	59.9 Å²	59.9	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-43.3	175.4	-172.9	64.9	0	0	0	111.7	L155 G324 I325 K331 A332 T341	L155-L328 HydrophobicContact CB-CD2 4.49Å; L155-L328 HydrophobicContact CD1-CD2 4.49Å; L155-L328 HydrophobicContact CD2-CD2 4.13Å; G324-L328 PolarHBondContact O-N 2.78Å; I325-L328 WeakPolarHBondContact O-CB 3.42Å; I325-L328 PolarHBondContact O-N 2.79Å; I325-L328 VanDerWaalsContact O-N 3.17Å; L328-K331 PolarHBondContact O-N 3.46Å; L328-A332 WeakPolarHBondContact O-CB 3.1Å; L328-A332 PolarHBondContact O-N 3.39Å; L328-T341 HydrophobicContact CD2-CG2 3.38Å; L328-T341 HydrophobicContact CG-CG2 3.94Å
329	V	62.1	Low	59.7	Low	62 Å²	62	63.8 Å²	63.8	38%	0.376	38%	0.376	S	S	.	.	H	α-helix	trans	-59.4	-48.1	172.7	172	0	0	0	0	110	I325 K331 A332 C333	I325-V329 WeakPolarHBondContact O-CG2 3.15Å; I325-V329 PolarHBondContact O-N 2.78Å; V329-K331 PolarHBondContact O-N 3.41Å; V329-A332 PolarHBondContact O-N 2.84Å; V329-C333 PolarHBondContact O-N 2.8Å; V329-C333 VanDerWaalsContact O-N 3.12Å; V329-C333 PolarHBondContact O-SG 2.81Å
330	T	60.9	Low	58	Low	93 Å²	93	68.4 Å²	68.4	57%	0.571	40%	0.398	S	S	*	.	H	α-helix	trans	-60.6	-44.4	-179.7	-51.1	0	0	0	0	112.2	K326 E327 S334	K326-T330 PolarHBondContact O-N 3.4Å; K326-T330 PolarHBondContact O-OG1 2.88Å; E327-T330 PolarHBondContact O-N 2.92Å; T330-S334 PolarHBondContact O-N 2.78Å; T330-S334 PolarHBondContact O-OG 3.19Å
331	K	57.1	Low	56.7	Low	82 Å²	82	69.6 Å²	69.6	36%	0.357	41%	0.405	S	S	.	.	H	α-helix	trans	-72.3	-37.2	177.5	-78	177.6	170.8	166.2	0	112.8	E327 L328 V329 C333 S334 Y335	E327-K331 HydrophobicContact CG-CD 4.28Å; E327-K331 WeakPolarHBondContact O-CB 3.4Å; E327-K331 PolarHBondContact O-N 2.96Å; E327-K331 WeakPolarHBondContact OE1-CE 3.47Å; E327-K331 IonicContact OE1-NZ 3.83Å; E327-K331 PolarHBondContact OE1-NZ 3.44Å; L328-K331 PolarHBondContact O-N 3.46Å; V329-K331 PolarHBondContact O-N 3.41Å; K331-C333 VanDerWaalsContact C-N 3.27Å; K331-C333 PolarHBondContact O-N 3.04Å; K331-S334 WeakPolarHBondContact O-CA 2.98Å; K331-S334 VanDerWaalsContact O-CB 3.3Å; K331-S334 WeakPolarHBondContact O-CB 3.46Å; K331-S334 PolarHBondContact O-N 3.38Å; K331-S334 PolarHBondContact O-OG 3.41Å; K331-Y335 HydrophobicContact CB-CE2 4.46Å; K331-Y335 WeakPolarHBondContact O-CD2 3.33Å; K331-Y335 PolarHBondContact O-N 3.4Å; K331-Y335 VanDerWaalsContact O-N 3.13Å
332	A	55	Low	55.7	Low	33 Å²	33	73.5 Å²	73.5	27%	0.273	43%	0.425	S	S	.	.	H	α-helix	trans	-61	-38.7	176.9	0	0	0	0	0	111.3	L328 V329 S334 Y335	L328-A332 WeakPolarHBondContact O-CB 3.1Å; L328-A332 PolarHBondContact O-N 3.39Å; V329-A332 PolarHBondContact O-N 2.84Å; A332-S334 PolarHBondContact O-N 3.45Å; A332-Y335 PolarHBondContact O-N 3.48Å
333	C	50.9	Low	55.4	Low	105 Å²	105	75.7 Å²	75.7	71%	0.709	44%	0.442	S	S	*	.	H	α-helix	trans	-60.1	-32.3	170.4	-65	0	0	0	0	112.6	V329 K331	V329-C333 PolarHBondContact O-N 2.8Å; V329-C333 VanDerWaalsContact O-N 3.12Å; V329-C333 PolarHBondContact O-SG 2.81Å; K331-C333 VanDerWaalsContact C-N 3.27Å; K331-C333 PolarHBondContact O-N 3.04Å
334	S	50.3	Low	55.4	Low	90 Å²	90	76 Å²	76	63%	0.629	44%	0.441	S	S	*	.	H	α-helix	trans	-75.8	-32.1	179.3	-32.9	0	0	0	0	113.7	T330 K331 A332	T330-S334 PolarHBondContact O-N 2.78Å; T330-S334 PolarHBondContact O-OG 3.19Å; K331-S334 WeakPolarHBondContact O-CA 2.98Å; K331-S334 VanDerWaalsContact O-CB 3.3Å; K331-S334 WeakPolarHBondContact O-CB 3.46Å; K331-S334 PolarHBondContact O-N 3.38Å; K331-S334 PolarHBondContact O-OG 3.41Å; A332-S334 PolarHBondContact O-N 3.45Å
335	Y	49	Very low	56	Low	184 Å²	184	74.9 Å²	74.9	72%	0.722	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	10.1	-173.6	-72.1	-70.1	0	0	0	114.7	K331 A332 S337	K331-Y335 HydrophobicContact CB-CE2 4.46Å; K331-Y335 WeakPolarHBondContact O-CD2 3.33Å; K331-Y335 PolarHBondContact O-N 3.4Å; K331-Y335 VanDerWaalsContact O-N 3.13Å; A332-Y335 PolarHBondContact O-N 3.48Å; Y335-S337 PolarHBondContact O-N 3.4Å
336	G	40.4	Very low	56.4	Low	77 Å²	77	76.9 Å²	76.9	79%	0.794	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	11.2	177.9	0	0	0	0	0	114.6
337	S	41.8	Very low	57.1	Low	42 Å²	42	77.1 Å²	77.1	29%	0.294	44%	0.438	S	S	.	.			trans	-110.5	80.4	-178.5	177.8	0	0	0	0	108.4	Y335 I339	Y335-S337 PolarHBondContact O-N 3.4Å; S337-I339 PolarHBondContact O-N 3.06Å
338	C	37.6	Very low	58.3	Low	131 Å²	131	73.8 Å²	73.8	89%	0.885	42%	0.423	S	S	*	.			trans	-70.6	68.8	163.2	-178.2	0	0	0	0	108.8
339	I	39.5	Very low	59.6	Low	112 Å²	112	72.4 Å²	72.4	57%	0.574	42%	0.415	S	S	*	.			trans	-129.3	94.7	177.6	-56	-179.3	0	0	0	107.9	S337	S337-I339 PolarHBondContact O-N 3.06Å
340	M	47	Very low	60.9	Low	100 Å²	100	69.5 Å²	69.5	49%	0.493	40%	0.398	S	S	.	.			trans	65.1	102.6	144	-53.4	-74.4	-73.8	0	0	116.3	K169 E344	K169-M340 PolarHBondContact NZ-O 3.06Å; M340-E344 WeakPolarHBondContact CE-OE1 3.24Å
341	T	53.3	Low	62.5	Low	27 Å²	27	65.2 Å²	65.2	17%	0.166	37%	0.371	C	S	.	.			trans	-143.2	-44.5	164.1	54.8	0	0	0	0	113.1	L328 E344 V345	L328-T341 HydrophobicContact CD2-CG2 3.38Å; L328-T341 HydrophobicContact CG-CG2 3.94Å; T341-E344 PolarHBondContact O-N 3.34Å; T341-V345 WeakPolarHBondContact O-CB 3.09Å; T341-V345 WeakPolarHBondContact O-CG2 3.32Å; T341-V345 PolarHBondContact O-N 3.34Å; T341-V345 VanDerWaalsContact O-N 3.1Å
342	I	59.2	Low	64.4	Low	84 Å²	84	61.3 Å²	61.3	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-50.9	-172.9	-55.5	172.7	0	0	0	112.4	I325 E344 V345 D346	I325-I342 HydrophobicContact CD1-CG1 3.97Å; I342-E344 VanDerWaalsContact C-N 3.32Å; I342-E344 PolarHBondContact O-N 3Å; I342-V345 PolarHBondContact O-N 2.7Å; I342-D346 WeakPolarHBondContact CG2-OD2 3.29Å; I342-D346 VanDerWaalsContact O-CB 3.31Å; I342-D346 WeakPolarHBondContact O-CB 3.47Å; I342-D346 PolarHBondContact O-N 3.36Å
343	P	68.3	Low	66.4	Low	67 Å²	67	59.7 Å²	59.7	44%	0.435	34%	0.341	S	S	.	.	H	α-helix	trans	-67.5	-28	-175.9	-20.8	33.4	0	0	0	114.7	R347	P343-R347 WeakPolarHBondContact O-CD 3.38Å; P343-R347 VanDerWaalsContact O-CG 3.27Å; P343-R347 WeakPolarHBondContact O-CG 2.94Å; P343-R347 PolarHBondContact O-N 2.62Å
344	E	74.7	Confident	68.6	Low	18 Å²	18	54.7 Å²	54.7	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-75.6	-43.1	177.7	-71.8	170.8	-170.1	0	0	110.8	K169 F173 T175 M340 T341 I342 R347	K169-E344 WeakPolarHBondContact CE-OE2 3.3Å; K169-E344 IonicContact NZ-OE1 3.96Å; K169-E344 IonicContact NZ-OE2 2.87Å; K169-E344 PolarHBondContact NZ-OE2 3.47Å; F173-E344 HydrophobicContact CB-CB 4.44Å; T175-E344 VanDerWaalsContact CG2-CD 3.43Å; T175-E344 HydrophobicContact CG2-CG 3.45Å; T175-E344 VanDerWaalsContact CG2-CG 3.45Å; T175-E344 WeakPolarHBondContact CG2-OE1 2.96Å; M340-E344 WeakPolarHBondContact CE-OE1 3.24Å; T341-E344 PolarHBondContact O-N 3.34Å; I342-E344 VanDerWaalsContact C-N 3.32Å; I342-E344 PolarHBondContact O-N 3Å; E344-R347 PolarHBondContact O-N 3.26Å
345	V	76.8	Confident	70.8	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-68.9	-37.2	175.9	179.8	0	0	0	0	110.6	L155 F173 P321 F322 I325 T341 I342 R347 V348	L155-V345 HydrophobicContact CD2-CG2 4.24Å; F173-V345 HydrophobicContact CD1-CB 4.49Å; F173-V345 HydrophobicContact CD1-CG2 3.88Å; F173-V345 HydrophobicContact CE1-CG1 4.38Å; F173-V345 HydrophobicContact CE1-CG2 3.9Å; P321-V345 HydrophobicContact CB-CG1 3.79Å; P321-V345 VanDerWaalsContact O-CG1 3.26Å; P321-V345 WeakPolarHBondContact O-CG1 3.21Å; F322-V345 HydrophobicContact CD1-CB 4.32Å; F322-V345 HydrophobicContact CD1-CG1 3.4Å; F322-V345 VanDerWaalsContact CD1-CG1 3.4Å; F322-V345 HydrophobicContact CE1-CB 4.29Å; F322-V345 HydrophobicContact CE1-CG1 3.68Å; F322-V345 HydrophobicContact CG-CG1 4Å; I325-V345 HydrophobicContact CD1-CB 4.45Å; I325-V345 HydrophobicContact CD1-CG1 4.45Å; T341-V345 WeakPolarHBondContact O-CB 3.09Å; T341-V345 WeakPolarHBondContact O-CG2 3.32Å; T341-V345 PolarHBondContact O-N 3.34Å; T341-V345 VanDerWaalsContact O-N 3.1Å; I342-V345 PolarHBondContact O-N 2.7Å; V345-R347 PolarHBondContact O-N 3.5Å; V345-V348 PolarHBondContact O-N 2.93Å
346	D	75.8	Confident	73	Confident	70 Å²	70	41.7 Å²	41.7	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-57.7	-30.9	175.4	-76.9	-26.2	0	0	0	113.1	R237 F322 I342 V348 T368	R237-D346 PolarHBondContact NH2-O 2.91Å; F322-D346 WeakPolarHBondContact CE1-OD1 3.21Å; F322-D346 VanDerWaalsContact CZ-OD1 3.24Å; F322-D346 WeakPolarHBondContact CZ-OD1 3.41Å; I342-D346 WeakPolarHBondContact CG2-OD2 3.29Å; I342-D346 VanDerWaalsContact O-CB 3.31Å; I342-D346 WeakPolarHBondContact O-CB 3.47Å; I342-D346 PolarHBondContact O-N 3.36Å; D346-V348 VanDerWaalsContact C-N 3.31Å; D346-T368 VanDerWaalsContact O-CG2 3.31Å; D346-T368 WeakPolarHBondContact O-CG2 3.38Å; D346-T368 PolarHBondContact O-OG1 2.87Å
347	R	79.6	Confident	75.4	Confident	136 Å²	136	38.4 Å²	38.4	51%	0.513	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.8	178.1	-72	172.1	-171.5	-165.7	0.3	113.2	T175 P343 E344 V345 P367 T368	T175-R347 PolarHBondContact O-NH1 2.86Å; P343-R347 WeakPolarHBondContact O-CD 3.38Å; P343-R347 VanDerWaalsContact O-CG 3.27Å; P343-R347 WeakPolarHBondContact O-CG 2.94Å; P343-R347 PolarHBondContact O-N 2.62Å; E344-R347 PolarHBondContact O-N 3.26Å; V345-R347 PolarHBondContact O-N 3.5Å; R347-P367 CarbonylContact O-C 3.49Å; R347-P367 WeakPolarHBondContact O-CA 3.29Å; R347-T368 PolarHBondContact O-N 3.32Å; R347-T368 PolarHBondContact O-OG1 3.42Å
348	V	86.3	Confident	77.9	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.7	-179.4	178.2	0	0	0	0	109.7	F173 P321 V345 D346	F173-V348 HydrophobicContact CD1-CB 4.4Å; F173-V348 HydrophobicContact CD1-CG2 3.83Å; P321-V348 HydrophobicContact CB-CB 4.34Å; P321-V348 HydrophobicContact CB-CG1 4.21Å; P321-V348 HydrophobicContact CG-CB 4.41Å; P321-V348 HydrophobicContact CG-CG1 3.93Å; V345-V348 PolarHBondContact O-N 2.93Å; D346-V348 VanDerWaalsContact C-N 3.31Å
349	L	86.2	Confident	80.6	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-50.1	170.9	173	62	0	0	0	110.1	F253 I281 W316 P321 I366 T368	F253-L349 HydrophobicContact CB-CD2 3.88Å; F253-L349 HydrophobicContact CD1-CD2 3.61Å; F253-L349 HydrophobicContact CD2-CD1 3.37Å; F253-L349 HydrophobicContact CD2-CD2 3.83Å; F253-L349 HydrophobicContact CD2-CG 4.2Å; F253-L349 HydrophobicContact CE1-CD2 4.01Å; F253-L349 HydrophobicContact CE2-CD1 3.41Å; F253-L349 VanDerWaalsContact CE2-CD1 3.41Å; F253-L349 HydrophobicContact CE2-CD2 4.21Å; F253-L349 HydrophobicContact CE2-CG 4.46Å; F253-L349 HydrophobicContact CG-CD1 3.98Å; F253-L349 HydrophobicContact CG-CD2 3.5Å; F253-L349 VanDerWaalsContact CG-CD2 3.5Å; F253-L349 HydrophobicContact CG-CG 4.33Å; F253-L349 HydrophobicContact CZ-CD1 4.06Å; F253-L349 HydrophobicContact CZ-CD2 4.29Å; I281-L349 HydrophobicContact CG2-CD2 4.43Å; W316-L349 HydrophobicContact CH2-CD2 4.02Å; W316-L349 HydrophobicContact CH2-CG 4.41Å; P321-L349 WeakPolarHBondContact CG-O 3.33Å; L349-I366 HydrophobicContact CB-CB 4.32Å; L349-I366 HydrophobicContact CB-CG2 4.28Å; L349-I366 WeakPolarHBondContact CB-O 3.25Å; L349-I366 HydrophobicContact CD2-CB 4.43Å; L349-I366 HydrophobicContact CD2-CG2 3.84Å; L349-I366 PolarHBondContact N-O 3.21Å; L349-T368 HydrophobicContact CB-CG2 4.18Å
350	G	90.2	Very high	83.3	Confident	1 Å²	1	27 Å²	27	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	173	-178.5	0	0	0	0	0	111.2	S365 I366	G350-S365 WeakPolarHBondContact O-CA 2.98Å; G350-I366 PolarHBondContact O-N 3.35Å
351	H	94.1	Very high	85.7	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.5	174.2	-60.1	93.3	0	0	0	109.6	F154 L172 F173 I317 I363 F364	F154-H351 HydrophobicContact CE2-CB 4.24Å; F154-H351 AromaticContact CE2-CG 3.97Å; L172-H351 PolarHBondContact O-NE2 3.41Å; F173-H351 AromaticContact CE1-CE1 3.5Å; F173-H351 AromaticContact CE1-NE2 3.8Å; F173-H351 AromaticContact CZ-CE1 3.42Å; F173-H351 VanDerWaalsContact CZ-CE1 3.42Å; F173-H351 WeakPolarHBondContact CZ-CE1 3Å; F173-H351 AromaticContact CZ-NE2 3.74Å; I317-H351 HydrophobicContact CB-CB 4.04Å; I317-H351 HydrophobicContact CG1-CB 3.64Å; I317-H351 PolarHBondContact N-O 3.15Å; H351-I363 HydrophobicContact CB-CG2 4.2Å; H351-F364 CarbonylContact C-O 3.53Å; H351-F364 WeakPolarHBondContact CA-O 3.46Å
352	L	96.5	Very high	87.7	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.7	179.8	-169.4	65.4	0	0	0	109.6	A255 I279 I281 M314 W316 V354 I363 F364 I366	A255-L352 HydrophobicContact CB-CD1 3.98Å; A255-L352 HydrophobicContact CB-CD2 4.35Å; I279-L352 HydrophobicContact CG2-CD2 4.08Å; I281-L352 HydrophobicContact CD1-CD2 4.29Å; M314-L352 HydrophobicContact CG-CD1 3.6Å; M314-L352 HydrophobicContact CG-CD2 4.29Å; M314-L352 HydrophobicContact CG-CG 4.03Å; M314-L352 HydrophobicContact SD-CD1 3.95Å; M314-L352 HydrophobicContact SD-CD2 3.77Å; M314-L352 HydrophobicContact SD-CG 4.18Å; W316-L352 HydrophobicContact CD2-CD1 3.79Å; W316-L352 HydrophobicContact CE3-CB 4.4Å; W316-L352 HydrophobicContact CE3-CD1 4.36Å; W316-L352 HydrophobicContact CG-CD1 3.99Å; W316-L352 HydrophobicContact CZ2-CD1 4.27Å; L352-V354 HydrophobicContact CD2-CG2 4.01Å; L352-V354 HydrophobicContact CG-CG2 3.93Å; L352-I363 VanDerWaalsContact O-CA 3.31Å; L352-I363 WeakPolarHBondContact O-CA 3.38Å; L352-F364 HydrophobicContact CB-CD2 4.44Å; L352-F364 HydrophobicContact CB-CE2 4.01Å; L352-F364 HydrophobicContact CB-CZ 4.29Å; L352-F364 HydrophobicContact CD2-CE2 3.88Å; L352-F364 HydrophobicContact CD2-CZ 3.86Å; L352-F364 HydrophobicContact CG-CE2 4.46Å; L352-F364 HydrophobicContact CG-CZ 4.38Å; L352-F364 PolarHBondContact N-O 3.07Å; L352-F364 PolarHBondContact O-N 2.91Å; L352-F364 VanDerWaalsContact O-N 3.14Å; L352-I366 HydrophobicContact CB-CG1 4.33Å
353	I	97.8	Very high	89.5	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.2	173.4	-47.5	178.6	0	0	0	107.4	M314 C315 I317 I361 R362 I363 I414 L422	M314-I353 WeakPolarHBondContact CA-O 3.45Å; C315-I353 PolarHBondContact N-O 3.36Å; C315-I353 WeakPolarHBondContact O-CA 3.46Å; C315-I353 VanDerWaalsContact O-CB 3.28Å; C315-I353 WeakPolarHBondContact O-CB 3.24Å; C315-I353 PolarHBondContact O-N 2.83Å; I317-I353 HydrophobicContact CD1-CD1 3.5Å; I317-I353 HydrophobicContact CD1-CG1 3.93Å; I317-I353 HydrophobicContact CG1-CD1 4.07Å; I317-I353 HydrophobicContact CG1-CG1 4.03Å; I353-I361 HydrophobicContact CG2-CG2 3.65Å; I353-R362 WeakPolarHBondContact CA-O 3.45Å; I353-I363 HydrophobicContact CB-CG1 4.5Å; I353-I363 HydrophobicContact CG1-CD1 4.32Å; I353-I363 HydrophobicContact CG1-CG1 4.18Å; I353-I363 HydrophobicContact CG2-CG1 4.23Å; I353-I414 HydrophobicContact CD1-CD1 4.23Å; I353-I414 HydrophobicContact CD1-CG2 4.08Å; I353-L422 HydrophobicContact CD1-CD1 3.82Å; I353-L422 HydrophobicContact CD1-CD2 4.26Å; I353-L422 HydrophobicContact CG2-CD1 4.39Å; I353-L422 HydrophobicContact CG2-CD2 4.06Å
354	V	97.2	Very high	90.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.4	-176.6	-175.5	0	0	0	0	109.2	I279 I311 M314 L352 I361 R362 F364	I279-V354 HydrophobicContact CD1-CG1 4.03Å; I279-V354 HydrophobicContact CD1-CG2 3.85Å; I311-V354 HydrophobicContact CB-CG1 4.34Å; I311-V354 HydrophobicContact CD1-CG1 3.38Å; I311-V354 HydrophobicContact CG1-CG1 3.97Å; I311-V354 HydrophobicContact CG2-CG1 3.61Å; M314-V354 HydrophobicContact CG-CG2 4.38Å; L352-V354 HydrophobicContact CD2-CG2 4.01Å; L352-V354 HydrophobicContact CG-CG2 3.93Å; V354-I361 CarbonylContact O-C 3.57Å; V354-I361 VanDerWaalsContact O-CA 3.27Å; V354-I361 WeakPolarHBondContact O-CA 3.16Å; V354-R362 PolarHBondContact N-O 2.85Å; V354-R362 PolarHBondContact O-N 3.15Å; V354-F364 HydrophobicContact CB-CE1 4.26Å; V354-F364 HydrophobicContact CG2-CE1 3.55Å; V354-F364 HydrophobicContact CG2-CZ 3.6Å
355	A	95.8	Very high	91.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.7	169.6	0	0	0	0	0	110	I311 T312 D313 I361 P409 T412	I311-A355 WeakPolarHBondContact CA-O 3.34Å; T312-A355 PolarHBondContact N-O 2.85Å; T312-A355 WeakPolarHBondContact OG1-CB 3.06Å; T312-A355 PolarHBondContact OG1-O 2.96Å; D313-A355 HydrophobicContact CB-CB 4.07Å; D313-A355 PolarHBondContact O-N 2.79Å; A355-I361 HydrophobicContact CB-CG1 4.23Å; A355-P409 HydrophobicContact CB-CB 3.85Å; A355-P409 HydrophobicContact CB-CG 3.86Å; A355-T412 HydrophobicContact CB-CG2 4Å
356	C	94.6	Very high	92.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.6	-170.2	-63.9	0	0	0	0	111.7	W308 D358 G359 F360 R362 P409	W308-C356 HydrophobicContact CB-CB 4.06Å; W308-C356 WeakPolarHBondContact O-CB 3.1Å; C356-D358 WeakPolarHBondContact CB-OD1 3.43Å; C356-D358 PolarHBondContact O-N 2.69Å; C356-D358 VanDerWaalsContact O-N 3.14Å; C356-G359 PolarHBondContact O-N 2.61Å; C356-F360 VanDerWaalsContact CB-O 3.28Å; C356-F360 WeakPolarHBondContact CB-O 3.45Å; C356-F360 PolarHBondContact N-O 3.09Å; C356-F360 VanDerWaalsContact N-O 3.07Å; C356-R362 PolarHBondContact SG-NH1 3.3Å; C356-R362 VanDerWaalsContact SG-NH1 3.41Å; C356-P409 WeakPolarHBondContact O-CD 3.28Å; C356-P409 WeakPolarHBondContact O-CG 3.11Å
357	Q	92	Very high	92.8	Very high	9 Å²	9	11.1 Å²	11.1	4%	0.042	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19	177.1	-168.6	-175.7	13.6	0	0	113.3	T266 M272 K273 R310 G359 W408	T266-Q357 HydrophobicContact CG2-CG 4.49Å; M272-Q357 VanDerWaalsContact CA-O 3.27Å; M272-Q357 WeakPolarHBondContact CA-O 3.29Å; K273-Q357 PolarHBondContact N-O 3.06Å; R310-Q357 HydrophobicContact CB-CB 4.06Å; R310-Q357 PolarHBondContact O-N 2.98Å; Q357-G359 PolarHBondContact O-N 3.46Å; Q357-W408 HydrophobicContact CG-CD2 4.39Å; Q357-W408 HydrophobicContact CG-CG 4.4Å
358	D	93.5	Very high	92.8	Very high	14 Å²	14	6.2 Å²	6.2	8%	0.075	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.3	172.4	70.8	-1.2	0	0	0	114.2	N274 W308 C356 F360 R362	N274-D358 WeakPolarHBondContact OD1-CB 3.26Å; W308-D358 WeakPolarHBondContact O-CB 3.41Å; W308-D358 PolarHBondContact O-N 3.5Å; C356-D358 WeakPolarHBondContact CB-OD1 3.43Å; C356-D358 PolarHBondContact O-N 2.69Å; C356-D358 VanDerWaalsContact O-N 3.14Å; D358-F360 HydrophobicContact CB-CD2 4.47Å; D358-F360 PolarHBondContact OD1-N 2.72Å; D358-F360 VanDerWaalsContact OD1-N 3.1Å; D358-R362 IonicContact OD1-CZ 2.63Å; D358-R362 IonicContact OD1-NH1 3.42Å; D358-R362 PolarHBondContact OD1-NH1 2.94Å; D358-R362 IonicContact OD1-NH2 3.95Å; D358-R362 IonicContact OD2-CZ 3.28Å; D358-R362 VanDerWaalsContact OD2-CZ 3.22Å; D358-R362 IonicContact OD2-NH1 2.99Å; D358-R362 PolarHBondContact OD2-NH1 2.93Å; D358-R362 IonicContact OD2-NH2 3.22Å; D358-R362 PolarHBondContact OD2-NH2 3.32Å
359	G	94.2	Very high	92	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	99.8	-5.7	175.5	0	0	0	0	0	114.5	C356 Q357 N402	C356-G359 PolarHBondContact O-N 2.61Å; Q357-G359 PolarHBondContact O-N 3.46Å; G359-N402 WeakPolarHBondContact CA-ND2 3.38Å; G359-N402 PolarHBondContact O-ND2 2.79Å; G359-N402 PolarHBondContact O-OD1 3.23Å
360	F	96	Very high	90.9	Very high	31 Å²	31	11.3 Å²	11.3	14%	0.136	7%	0.067	C	C	.	.			trans	-103.6	155.2	-178.5	-60.5	-85	0	0	0	111.7	C356 D358 T394 S396 N402	C356-F360 VanDerWaalsContact CB-O 3.28Å; C356-F360 WeakPolarHBondContact CB-O 3.45Å; C356-F360 PolarHBondContact N-O 3.09Å; C356-F360 VanDerWaalsContact N-O 3.07Å; D358-F360 HydrophobicContact CB-CD2 4.47Å; D358-F360 PolarHBondContact OD1-N 2.72Å; D358-F360 VanDerWaalsContact OD1-N 3.1Å; F360-T394 HydrophobicContact CB-CG2 4.1Å; F360-T394 HydrophobicContact CD1-CG2 3.47Å; F360-T394 VanDerWaalsContact CD1-CG2 3.47Å; F360-T394 HydrophobicContact CE1-CG2 4.22Å; F360-T394 HydrophobicContact CG-CG2 4.05Å; F360-S396 WeakPolarHBondContact CD1-OG 3.43Å; F360-S396 WeakPolarHBondContact CE1-OG 3.5Å; F360-N402 HydrophobicContact CE1-CB 4.41Å; F360-N402 HydrophobicContact CE2-CB 4.5Å; F360-N402 HydrophobicContact CZ-CB 4.3Å
361	I	97	Very high	89.2	Confident	1 Å²	1	14 Å²	14	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.6	159.6	-73.4	159.2	0	0	0	108.7	I353 V354 A355 T394 L395 P409 T412 V424	I353-I361 HydrophobicContact CG2-CG2 3.65Å; V354-I361 CarbonylContact O-C 3.57Å; V354-I361 VanDerWaalsContact O-CA 3.27Å; V354-I361 WeakPolarHBondContact O-CA 3.16Å; A355-I361 HydrophobicContact CB-CG1 4.23Å; I361-T394 CarbonylContact O-C 3.5Å; I361-T394 WeakPolarHBondContact O-CA 3.3Å; I361-L395 HydrophobicContact CB-CB 3.76Å; I361-L395 HydrophobicContact CG2-CB 4.07Å; I361-L395 HydrophobicContact CG2-CD2 4.14Å; I361-L395 PolarHBondContact N-O 2.89Å; I361-L395 PolarHBondContact O-N 2.94Å; I361-P409 HydrophobicContact CD1-CB 4.04Å; I361-P409 HydrophobicContact CG1-CB 4.01Å; I361-P409 HydrophobicContact CG1-CG 3.99Å; I361-T412 HydrophobicContact CD1-CG2 4.16Å; I361-V424 HydrophobicContact CD1-CB 3.8Å; I361-V424 HydrophobicContact CD1-CG1 3.28Å; I361-V424 HydrophobicContact CD1-CG2 3.13Å
362	R	96.5	Very high	86.8	Confident	16 Å²	16	21.5 Å²	21.5	6%	0.06	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	134.5	177.3	-65.3	175.9	177.7	80.2	-0.7	109.9	W308 I353 V354 C356 D358 F364 Y392 L393	W308-R362 VanDerWaalsContact CD1-CZ 3.49Å; W308-R362 VanDerWaalsContact CD2-CD 3.47Å; W308-R362 VanDerWaalsContact CE2-CD 3.48Å; I353-R362 WeakPolarHBondContact CA-O 3.45Å; V354-R362 PolarHBondContact N-O 2.85Å; V354-R362 PolarHBondContact O-N 3.15Å; C356-R362 PolarHBondContact SG-NH1 3.3Å; C356-R362 VanDerWaalsContact SG-NH1 3.41Å; D358-R362 IonicContact OD1-CZ 2.63Å; D358-R362 IonicContact OD1-NH1 3.42Å; D358-R362 PolarHBondContact OD1-NH1 2.94Å; D358-R362 IonicContact OD1-NH2 3.95Å; D358-R362 IonicContact OD2-CZ 3.28Å; D358-R362 VanDerWaalsContact OD2-CZ 3.22Å; D358-R362 IonicContact OD2-NH1 2.99Å; D358-R362 PolarHBondContact OD2-NH1 2.93Å; D358-R362 IonicContact OD2-NH2 3.22Å; D358-R362 PolarHBondContact OD2-NH2 3.32Å; R362-F364 HydrophobicContact CB-CD1 4.19Å; R362-F364 HydrophobicContact CB-CE1 4.34Å; R362-Y392 HydrophobicContact CB-CD2 4.23Å; R362-Y392 HydrophobicContact CG-CD2 3.83Å; R362-Y392 HydrophobicContact CG-CE2 4.01Å; R362-L393 WeakPolarHBondContact CA-O 3.47Å
363	I	97.3	Very high	84.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	171.3	-50.5	-178.6	0	0	0	108.4	F154 L172 H351 L352 I353 Y392 L393 L395 L422 L436	F154-I363 HydrophobicContact CE2-CG2 4.21Å; F154-I363 HydrophobicContact CZ-CD1 4.32Å; F154-I363 HydrophobicContact CZ-CG2 4.02Å; L172-I363 HydrophobicContact CD2-CG2 4.31Å; L172-I363 WeakPolarHBondContact CD2-O 3.4Å; H351-I363 HydrophobicContact CB-CG2 4.2Å; L352-I363 VanDerWaalsContact O-CA 3.31Å; L352-I363 WeakPolarHBondContact O-CA 3.38Å; I353-I363 HydrophobicContact CB-CG1 4.5Å; I353-I363 HydrophobicContact CG1-CD1 4.32Å; I353-I363 HydrophobicContact CG1-CG1 4.18Å; I353-I363 HydrophobicContact CG2-CG1 4.23Å; I363-Y392 CarbonylContact O-C 3.51Å; I363-Y392 WeakPolarHBondContact O-CA 3.47Å; I363-Y392 WeakPolarHBondContact O-CB 3.46Å; I363-L393 HydrophobicContact CB-CB 4.26Å; I363-L393 HydrophobicContact CD1-CD2 4.39Å; I363-L393 PolarHBondContact N-O 2.79Å; I363-L393 PolarHBondContact O-N 2.89Å; I363-L395 HydrophobicContact CD1-CD1 4.02Å; I363-L395 HydrophobicContact CD1-CD2 4.07Å; I363-L395 HydrophobicContact CG1-CD1 4.18Å; I363-L422 HydrophobicContact CD1-CD2 4.33Å; I363-L436 HydrophobicContact CD1-CD1 4.13Å; I363-L436 HydrophobicContact CD1-CD2 3.53Å; I363-L436 HydrophobicContact CD1-CG 4.48Å
364	F	95	Very high	81.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.5	-180	51.5	-93.2	0	0	0	111.9	W179 I279 I304 W308 H351 L352 V354 R362 I366 L387	W179-F364 AromaticContact CH2-CD2 3.82Å; W179-F364 HydrophobicContact CH2-CD2 3.82Å; W179-F364 HydrophobicContact CH2-CE2 4.08Å; W179-F364 AromaticContact CZ2-CD2 3.93Å; W179-F364 HydrophobicContact CZ2-CD2 3.93Å; I279-F364 HydrophobicContact CD1-CZ 4.17Å; I304-F364 HydrophobicContact CD1-CE2 3.58Å; I304-F364 HydrophobicContact CD1-CZ 4.12Å; W308-F364 HydrophobicContact CH2-CD1 4.2Å; W308-F364 AromaticContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CE1 3.77Å; W308-F364 HydrophobicContact CH2-CZ 4.28Å; W308-F364 HydrophobicContact CZ3-CD1 4.46Å; W308-F364 AromaticContact CZ3-CE1 3.63Å; W308-F364 HydrophobicContact CZ3-CE1 3.63Å; W308-F364 HydrophobicContact CZ3-CZ 4.07Å; H351-F364 CarbonylContact C-O 3.53Å; H351-F364 WeakPolarHBondContact CA-O 3.46Å; L352-F364 HydrophobicContact CB-CD2 4.44Å; L352-F364 HydrophobicContact CB-CE2 4.01Å; L352-F364 HydrophobicContact CB-CZ 4.29Å; L352-F364 HydrophobicContact CD2-CE2 3.88Å; L352-F364 HydrophobicContact CD2-CZ 3.86Å; L352-F364 HydrophobicContact CG-CE2 4.46Å; L352-F364 HydrophobicContact CG-CZ 4.38Å; L352-F364 PolarHBondContact N-O 3.07Å; L352-F364 PolarHBondContact O-N 2.91Å; L352-F364 VanDerWaalsContact O-N 3.14Å; V354-F364 HydrophobicContact CB-CE1 4.26Å; V354-F364 HydrophobicContact CG2-CE1 3.55Å; V354-F364 HydrophobicContact CG2-CZ 3.6Å; R362-F364 HydrophobicContact CB-CD1 4.19Å; R362-F364 HydrophobicContact CB-CE1 4.34Å; F364-I366 HydrophobicContact CD2-CD1 3.9Å; F364-I366 HydrophobicContact CE2-CD1 3.66Å; F364-L387 HydrophobicContact CB-CD2 3.55Å; F364-L387 HydrophobicContact CD1-CD2 4.21Å; F364-L387 HydrophobicContact CD2-CD2 4.42Å; F364-L387 HydrophobicContact CG-CD2 3.82Å
365	S	92.6	Very high	78.4	Confident	4 Å²	4	37.7 Å²	37.7	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.8	-179.3	56.8	0	0	0	0	112	L172 P174 W179 G350	L172-S365 VanDerWaalsContact O-CB 3.29Å; L172-S365 WeakPolarHBondContact O-CB 3.1Å; P174-S365 WeakPolarHBondContact CD-OG 3.49Å; W179-S365 VanDerWaalsContact CZ2-O 3.26Å; W179-S365 WeakPolarHBondContact CZ2-O 3.49Å; W179-S365 PolarHBondContact NE1-O 3.33Å; G350-S365 WeakPolarHBondContact O-CA 2.98Å
366	I	90.9	Very high	75.5	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.6	169.5	-57.3	-55.7	0	0	0	109.3	W179 I281 I304 W316 L349 G350 L352 F364	W179-I366 HydrophobicContact CH2-CD1 4.45Å; W179-I366 HydrophobicContact CZ2-CD1 4.21Å; I281-I366 HydrophobicContact CD1-CD1 4.31Å; I281-I366 HydrophobicContact CD1-CG1 4.4Å; I281-I366 HydrophobicContact CG1-CD1 4.29Å; I281-I366 HydrophobicContact CG1-CG2 4.26Å; I281-I366 HydrophobicContact CG2-CG2 4.34Å; I304-I366 HydrophobicContact CD1-CD1 3.58Å; W316-I366 HydrophobicContact CH2-CB 3.91Å; W316-I366 HydrophobicContact CH2-CG1 3.55Å; W316-I366 HydrophobicContact CH2-CG2 4.3Å; W316-I366 HydrophobicContact CZ3-CB 4.07Å; W316-I366 HydrophobicContact CZ3-CG1 3.76Å; L349-I366 HydrophobicContact CB-CB 4.32Å; L349-I366 HydrophobicContact CB-CG2 4.28Å; L349-I366 WeakPolarHBondContact CB-O 3.25Å; L349-I366 HydrophobicContact CD2-CB 4.43Å; L349-I366 HydrophobicContact CD2-CG2 3.84Å; L349-I366 PolarHBondContact N-O 3.21Å; G350-I366 PolarHBondContact O-N 3.35Å; L352-I366 HydrophobicContact CB-CG1 4.33Å; F364-I366 HydrophobicContact CD2-CD1 3.9Å; F364-I366 HydrophobicContact CE2-CD1 3.66Å
367	P	86.3	Confident	72.7	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	151.5	177.9	30.8	-33.9	0	0	0	112.8	H301 F302 R347	H301-P367 PolarHBondContact NE2-O 3.33Å; F302-P367 HydrophobicContact CD2-CG 4.08Å; F302-P367 HydrophobicContact CE2-CG 3.57Å; F302-P367 HydrophobicContact CZ-CG 3.95Å; R347-P367 CarbonylContact O-C 3.49Å; R347-P367 WeakPolarHBondContact O-CA 3.29Å
368	T	78.8	Confident	70.3	Confident	32 Å²	32	55 Å²	55	20%	0.196	30%	0.3	C	S	.	.	S	Bend	trans	-72.9	-26	177.2	47.7	0	0	0	0	114.5	R237 H301 D346 R347 L349	R237-T368 VanDerWaalsContact CZ-CG2 3.48Å; H301-T368 PolarHBondContact CE1-O 3.47Å; D346-T368 VanDerWaalsContact O-CG2 3.31Å; D346-T368 WeakPolarHBondContact O-CG2 3.38Å; D346-T368 PolarHBondContact O-OG1 2.87Å; R347-T368 PolarHBondContact O-N 3.32Å; R347-T368 PolarHBondContact O-OG1 3.42Å; L349-T368 HydrophobicContact CB-CG2 4.18Å
369	C	69.6	Low	68.3	Low	84 Å²	84	59.4 Å²	59.4	57%	0.568	33%	0.332	S	S	*	.	S	Bend	trans	-126	141.6	174.6	-59.9	0	0	0	0	109	M371	C369-M371 PolarHBondContact O-N 3.45Å
370	P	62.7	Low	66.1	Low	30 Å²	30	61.4 Å²	61.4	20%	0.195	35%	0.348	C	S	.	.			trans	-54.6	128	161.3	-14.8	29.1	0	0	0	107.1	N372 F383	P370-N372 PolarHBondContact O-N 2.64Å; P370-F383 HydrophobicContact CB-CD1 3.88Å; P370-F383 HydrophobicContact CB-CE1 3.91Å; P370-F383 HydrophobicContact CG-CD1 3.99Å; P370-F383 HydrophobicContact CG-CE1 3.8Å
371	M	54.6	Low	63.9	Low	56 Å²	56	60.7 Å²	60.7	28%	0.276	35%	0.347	S	S	.	.			trans	-64.2	114.1	179.5	-65.9	-158.5	-157.4	0	0	107.5	W179 C369 F373 Y385	W179-M371 HydrophobicContact CB-CE 4.23Å; C369-M371 PolarHBondContact O-N 3.45Å; M371-F373 HydrophobicContact CB-CD2 3.93Å; M371-F373 HydrophobicContact CB-CE2 3.65Å; M371-F373 HydrophobicContact CB-CZ 4.43Å; M371-F373 HydrophobicContact CG-CE2 4.5Å; M371-F373 WeakPolarHBondContact O-CD2 3.36Å; M371-F373 PolarHBondContact O-N 3.25Å; M371-F373 HydrophobicContact SD-CE2 4.27Å; M371-F373 HydrophobicContact SD-CZ 4.4Å; M371-Y385 PolarHBondContact O-OH 3.32Å
372	N	43.8	Very low	62.1	Low	161 Å²	161	63.4 Å²	63.4	86%	0.861	36%	0.36	S	S	*	.			trans	-63.3	76.5	176	-76.8	-19.9	0	0	0	110	P370 G374	P370-N372 PolarHBondContact O-N 2.64Å; N372-G374 PolarHBondContact O-N 3.36Å
373	F	42.9	Very low	61	Low	102 Å²	102	65 Å²	65	45%	0.447	37%	0.368	S	S	.	.			trans	-77.4	82.5	159.1	-68.2	-73.3	0	0	0	105.7	R181 M371 F375 Y385	R181-F373 PolarHBondContact NH1-O 2.86Å; M371-F373 HydrophobicContact CB-CD2 3.93Å; M371-F373 HydrophobicContact CB-CE2 3.65Å; M371-F373 HydrophobicContact CB-CZ 4.43Å; M371-F373 HydrophobicContact CG-CE2 4.5Å; M371-F373 WeakPolarHBondContact O-CD2 3.36Å; M371-F373 PolarHBondContact O-N 3.25Å; M371-F373 HydrophobicContact SD-CE2 4.27Å; M371-F373 HydrophobicContact SD-CZ 4.4Å; F373-F375 PolarHBondContact O-N 3.43Å; F373-Y385 HydrophobicContact CD2-CE1 4.46Å; F373-Y385 HydrophobicContact CE2-CE1 4.46Å
374	G	34.6	Very low	60.2	Low	59 Å²	59	65.1 Å²	65.1	61%	0.608	37%	0.368	S	S	*	.			trans	-52.4	110.3	-170.6	0	0	0	0	0	111.6	N372	N372-G374 PolarHBondContact O-N 3.36Å
375	F	37.9	Very low	59.8	Low	178 Å²	178	65.3 Å²	65.3	78%	0.781	37%	0.369	S	S	*	.			trans	-163.7	139.5	166.5	-83.5	-68.6	0	0	0	110.1	F373	F373-F375 PolarHBondContact O-N 3.43Å
376	E	35.2	Very low	59.6	Low	174 Å²	174	67.9 Å²	67.9	81%	0.813	38%	0.384	S	S	*	.			trans	-73	149.8	-171.5	-63.8	177.8	151.7	0	0	114.3
377	N	36.3	Very low	59.4	Low	143 Å²	143	68.5 Å²	68.5	77%	0.765	39%	0.388	S	S	*	.	S	Bend	trans	66.7	71.2	150.8	-57.3	-19.6	0	0	0	120.5
378	S	40	Very low	59.5	Low	56 Å²	56	69.5 Å²	69.5	39%	0.392	40%	0.395	S	S	.	.				-170.4	127.6	126.7	61.1	0	0	0	0	110.7	A380 S381 Q382	S378-A380 PolarHBondContact O-N 2.7Å; S378-S381 PolarHBondContact OG-OG 3.34Å; S378-Q382 VanDerWaalsContact O-CG 3.3Å; S378-Q382 WeakPolarHBondContact O-CG 3.39Å
379	S	52.1	Low	59.6	Low	106 Å²	106	76.5 Å²	76.5	74%	0.741	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-32	-161.2	48.7	0	0	0	0	117	F383	S379-F383 WeakPolarHBondContact O-CD2 3.41Å; S379-F383 VanDerWaalsContact O-CE2 3.28Å; S379-F383 WeakPolarHBondContact O-CE2 3.34Å
380	A	49.1	Very low	60.2	Low	43 Å²	43	76.8 Å²	76.8	36%	0.355	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-30.6	-176.3	0	0	0	0	0	114.4	L213 S378 Q382	L213-A380 HydrophobicContact CD1-CB 4.2Å; S378-A380 PolarHBondContact O-N 2.7Å; A380-Q382 VanDerWaalsContact C-N 3.25Å; A380-Q382 PolarHBondContact O-N 3.24Å
381	S	48.6	Very low	61.4	Low	16 Å²	16	76.5 Å²	76.5	11%	0.112	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-75.9	-15.2	-179.4	74.2	0	0	0	0	113.4	I184 S378 F383	I184-S381 WeakPolarHBondContact O-CB 3.31Å; I184-S381 PolarHBondContact O-OG 2.79Å; S378-S381 PolarHBondContact OG-OG 3.34Å; S381-F383 PolarHBondContact O-N 3.23Å
382	Q	59.7	Low	63.3	Low	58 Å²	58	75.5 Å²	75.5	27%	0.271	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.3	175.4	-77	171.4	1.1	0	0	112.8	S378 A380	S378-Q382 VanDerWaalsContact O-CG 3.3Å; S378-Q382 WeakPolarHBondContact O-CG 3.39Å; A380-Q382 VanDerWaalsContact C-N 3.25Å; A380-Q382 PolarHBondContact O-N 3.24Å
383	F	72.4	Confident	65.7	Low	50 Å²	50	67.9 Å²	67.9	22%	0.219	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-109.6	10.9	-172.2	-54.8	-73.3	0	0	0	114.3	I300 I303 P370 S379 S381 Y385	I300-F383 HydrophobicContact CG2-CB 3.93Å; I300-F383 HydrophobicContact CG2-CD2 4.33Å; I300-F383 HydrophobicContact CG2-CG 4.24Å; I303-F383 WeakPolarHBondContact CA-O 3.3Å; I303-F383 WeakPolarHBondContact CB-O 3.28Å; I303-F383 PolarHBondContact N-O 3.14Å; P370-F383 HydrophobicContact CB-CD1 3.88Å; P370-F383 HydrophobicContact CB-CE1 3.91Å; P370-F383 HydrophobicContact CG-CD1 3.99Å; P370-F383 HydrophobicContact CG-CE1 3.8Å; S379-F383 WeakPolarHBondContact O-CD2 3.41Å; S379-F383 VanDerWaalsContact O-CE2 3.28Å; S379-F383 WeakPolarHBondContact O-CE2 3.34Å; S381-F383 PolarHBondContact O-N 3.23Å; F383-Y385 VanDerWaalsContact C-CD2 3.49Å; F383-Y385 WeakPolarHBondContact O-CD2 2.93Å; F383-Y385 VanDerWaalsContact O-CE2 3.23Å; F383-Y385 WeakPolarHBondContact O-CE2 3.11Å
384	A	81.7	Confident	68.2	Low	2 Å²	2	64 Å²	64	2%	0.017	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.9	-178.4	0	0	0	0	0	113.1	S182 I186 I303	S182-A384 PolarHBondContact N-O 3.22Å; I186-A384 HydrophobicContact CD1-CB 3.71Å; I186-A384 HydrophobicContact CG1-CB 3.28Å; I303-A384 CarbonylContact O-C 3.56Å; I303-A384 WeakPolarHBondContact O-CA 2.97Å
385	Y	86.5	Confident	71.2	Confident	4 Å²	4	61.2 Å²	61.2	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.2	-178	-57.1	-92.7	0	0	0	111.4	W179 V180 R181 F302 I303 I304 S305 M371 F373 F383	W179-Y385 HydrophobicContact CB-CD1 4.18Å; V180-Y385 CarbonylContact O-C 3.59Å; V180-Y385 WeakPolarHBondContact O-CA 3.39Å; R181-Y385 HydrophobicContact CB-CD1 4.4Å; R181-Y385 HydrophobicContact CB-CE1 4.41Å; F302-Y385 AromaticContact CD1-CD2 3.9Å; F302-Y385 HydrophobicContact CD1-CD2 3.9Å; F302-Y385 AromaticContact CD2-CD2 3.59Å; F302-Y385 HydrophobicContact CD2-CD2 3.59Å; F302-Y385 AromaticContact CD2-CE2 3.51Å; F302-Y385 HydrophobicContact CD2-CE2 3.51Å; F302-Y385 AromaticContact CE1-CD2 3.49Å; F302-Y385 HydrophobicContact CE1-CD2 3.49Å; F302-Y385 VanDerWaalsContact CE1-CD2 3.49Å; F302-Y385 HydrophobicContact CE1-CE2 4.37Å; F302-Y385 AromaticContact CE1-CG 3.7Å; F302-Y385 HydrophobicContact CE1-CG 3.7Å; F302-Y385 HydrophobicContact CE2-CD1 4.18Å; F302-Y385 AromaticContact CE2-CD2 3.14Å; F302-Y385 HydrophobicContact CE2-CD2 3.14Å; F302-Y385 HydrophobicContact CE2-CE1 4.2Å; F302-Y385 AromaticContact CE2-CE2 3.18Å; F302-Y385 HydrophobicContact CE2-CE2 3.18Å; F302-Y385 AromaticContact CE2-CG 3.68Å; F302-Y385 HydrophobicContact CE2-CG 3.68Å; F302-Y385 AromaticContact CE2-CZ 3.75Å; F302-Y385 AromaticContact CG-CD2 3.95Å; F302-Y385 HydrophobicContact CG-CD2 3.95Å; F302-Y385 HydrophobicContact CG-CE2 4.25Å; F302-Y385 AromaticContact CZ-CD1 3.87Å; F302-Y385 HydrophobicContact CZ-CD1 3.87Å; F302-Y385 AromaticContact CZ-CD2 3.1Å; F302-Y385 HydrophobicContact CZ-CD2 3.1Å; F302-Y385 HydrophobicContact CZ-CE1 4.35Å; F302-Y385 AromaticContact CZ-CE2 3.69Å; F302-Y385 HydrophobicContact CZ-CE2 3.69Å; F302-Y385 AromaticContact CZ-CG 3.21Å; F302-Y385 HydrophobicContact CZ-CG 3.21Å; I303-Y385 PolarHBondContact O-N 2.93Å; I304-Y385 CarbonylContact C-O 3.51Å; I304-Y385 WeakPolarHBondContact CA-O 3.4Å; S305-Y385 PolarHBondContact N-O 3.48Å; M371-Y385 PolarHBondContact O-OH 3.32Å; F373-Y385 HydrophobicContact CD2-CE1 4.46Å; F373-Y385 HydrophobicContact CE2-CE1 4.46Å; F383-Y385 VanDerWaalsContact C-CD2 3.49Å; F383-Y385 WeakPolarHBondContact O-CD2 2.93Å; F383-Y385 VanDerWaalsContact O-CE2 3.23Å; F383-Y385 WeakPolarHBondContact O-CE2 3.11Å
386	T	87.9	Confident	74	Confident	57 Å²	57	52.8 Å²	52.8	35%	0.35	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.2	168	-55.9	0	0	0	0	107.8	V180	V180-T386 PolarHBondContact N-O 3.15Å; V180-T386 PolarHBondContact O-N 3.1Å
387	L	87.9	Confident	76.8	Confident	13 Å²	13	46.2 Å²	46.2	7%	0.068	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.2	177.2	-166.6	58.8	0	0	0	110.2	A178 W179 F364 C391 Y392	A178-L387 HydrophobicContact CB-CD1 4.39Å; W179-L387 HydrophobicContact CD2-CD1 3.7Å; W179-L387 HydrophobicContact CE3-CB 4.05Å; W179-L387 HydrophobicContact CE3-CD1 3.77Å; W179-L387 HydrophobicContact CE3-CG 4.48Å; W179-L387 HydrophobicContact CG-CD1 4.38Å; W179-L387 HydrophobicContact CH2-CB 4.16Å; W179-L387 HydrophobicContact CH2-CD1 3.87Å; W179-L387 HydrophobicContact CH2-CD2 4.15Å; W179-L387 HydrophobicContact CH2-CG 4.3Å; W179-L387 HydrophobicContact CZ2-CD1 3.78Å; W179-L387 HydrophobicContact CZ2-CD2 4.48Å; W179-L387 HydrophobicContact CZ3-CB 3.68Å; W179-L387 HydrophobicContact CZ3-CD1 3.87Å; W179-L387 HydrophobicContact CZ3-CG 4.23Å; F364-L387 HydrophobicContact CB-CD2 3.55Å; F364-L387 HydrophobicContact CD1-CD2 4.21Å; F364-L387 HydrophobicContact CD2-CD2 4.42Å; F364-L387 HydrophobicContact CG-CD2 3.82Å; L387-C391 HydrophobicContact CD1-CB 3.75Å; L387-C391 HydrophobicContact CG-CB 4.06Å; L387-Y392 HydrophobicContact CD2-CD1 3.53Å; L387-Y392 HydrophobicContact CD2-CG 4.07Å; L387-Y392 HydrophobicContact CG-CD1 3.95Å
388	S	86.5	Confident	79.4	Confident	36 Å²	36	41.6 Å²	41.6	25%	0.252	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-61.1	148.6	173.8	-71.3	0	0	0	0	111.2	A178 V180 C391	A178-S388 VanDerWaalsContact O-CB 3.32Å; A178-S388 WeakPolarHBondContact O-CB 3.37Å; A178-S388 PolarHBondContact O-N 2.82Å; A178-S388 PolarHBondContact O-OG 2.78Å; V180-S388 VanDerWaalsContact CG2-OG 3.28Å; V180-S388 WeakPolarHBondContact CG2-OG 3.45Å; S388-C391 WeakPolarHBondContact O-CB 3.35Å; S388-C391 PolarHBondContact O-N 2.88Å; S388-C391 VanDerWaalsContact O-N 3.17Å
389	K	81.5	Confident	81.7	Confident	179 Å²	179	41.4 Å²	41.4	78%	0.778	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	144.2	172.3	-68.3	-173.2	179.4	-177.7	0	109.9	C391	K389-C391 PolarHBondContact O-N 3.14Å
390	N	82.1	Confident	83.1	Confident	89 Å²	89	45.3 Å²	45.3	48%	0.476	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	4.4	-177.1	-53	-19.5	0	0	0	116	A171 Y392 N449	A171-N390 WeakPolarHBondContact CB-O 3.48Å; N390-Y392 PolarHBondContact O-N 2.79Å; N390-N449 PolarHBondContact O-ND2 3Å
391	C	88.7	Confident	84.7	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.162	25%	0.249	C	C	.	.	S	Bend	trans	-91.7	20.6	173	-62.3	0	0	0	0	112.9	A178 L387 S388 K389	A178-C391 HydrophobicContact CB-CB 3.77Å; L387-C391 HydrophobicContact CD1-CB 3.75Å; L387-C391 HydrophobicContact CG-CB 4.06Å; S388-C391 WeakPolarHBondContact O-CB 3.35Å; S388-C391 PolarHBondContact O-N 2.88Å; S388-C391 VanDerWaalsContact O-N 3.17Å; K389-C391 PolarHBondContact O-N 3.14Å
392	Y	93.2	Very high	86.5	Confident	35 Å²	35	48 Å²	48	14%	0.137	24%	0.244	C	C	.	.	S	Bend	trans	-144.5	154.2	173.9	51.3	-87.8	0	0	0	109.1	R362 I363 L387 N390 T394	R362-Y392 HydrophobicContact CB-CD2 4.23Å; R362-Y392 HydrophobicContact CG-CD2 3.83Å; R362-Y392 HydrophobicContact CG-CE2 4.01Å; I363-Y392 CarbonylContact O-C 3.51Å; I363-Y392 WeakPolarHBondContact O-CA 3.47Å; I363-Y392 WeakPolarHBondContact O-CB 3.46Å; L387-Y392 HydrophobicContact CD2-CD1 3.53Å; L387-Y392 HydrophobicContact CD2-CG 4.07Å; L387-Y392 HydrophobicContact CG-CD1 3.95Å; N390-Y392 PolarHBondContact O-N 2.79Å; Y392-T394 WeakPolarHBondContact CD2-OG1 3.44Å; Y392-T394 WeakPolarHBondContact CE2-OG1 3.45Å
393	L	95.4	Very high	87.9	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.9	170	-175.7	72.5	0	0	0	108.6	F154 L172 R362 I363 L395 Y444 N449 L451	F154-L393 HydrophobicContact CE1-CD2 4.27Å; L172-L393 HydrophobicContact CD1-CB 4.5Å; L172-L393 HydrophobicContact CD2-CB 4.11Å; R362-L393 WeakPolarHBondContact CA-O 3.47Å; I363-L393 HydrophobicContact CB-CB 4.26Å; I363-L393 HydrophobicContact CD1-CD2 4.39Å; I363-L393 PolarHBondContact N-O 2.79Å; I363-L393 PolarHBondContact O-N 2.89Å; L393-L395 HydrophobicContact CB-CD1 4.4Å; L393-L395 HydrophobicContact CD2-CD1 3.76Å; L393-L395 HydrophobicContact CG-CD1 3.66Å; L393-Y444 HydrophobicContact CD1-CD2 4.21Å; L393-Y444 HydrophobicContact CD1-CE2 3.7Å; L393-N449 CarbonylContact C-O 3.59Å; L393-N449 WeakPolarHBondContact CA-O 3.2Å; L393-N449 WeakPolarHBondContact CD1-O 3.47Å; L393-L451 HydrophobicContact CD1-CB 4.27Å; L393-L451 HydrophobicContact CD2-CB 4.38Å; L393-L451 HydrophobicContact CD2-CD2 4.36Å; L393-L451 HydrophobicContact CG-CB 4.4Å
394	T	95.9	Very high	88.7	Confident	21 Å²	21	50.8 Å²	50.8	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.3	179.1	-54.4	0	0	0	0	110.1	F360 I361 Y392 N449 H450 L451	F360-T394 HydrophobicContact CB-CG2 4.1Å; F360-T394 HydrophobicContact CD1-CG2 3.47Å; F360-T394 VanDerWaalsContact CD1-CG2 3.47Å; F360-T394 HydrophobicContact CE1-CG2 4.22Å; F360-T394 HydrophobicContact CG-CG2 4.05Å; I361-T394 CarbonylContact O-C 3.5Å; I361-T394 WeakPolarHBondContact O-CA 3.3Å; Y392-T394 WeakPolarHBondContact CD2-OG1 3.44Å; Y392-T394 WeakPolarHBondContact CE2-OG1 3.45Å; T394-N449 PolarHBondContact N-O 3.32Å; T394-H450 CarbonylContact O-C 3.51Å; T394-H450 VanDerWaalsContact O-CA 3.26Å; T394-H450 WeakPolarHBondContact O-CA 3.18Å; T394-H450 PolarHBondContact O-CD2 2.8Å; T394-L451 PolarHBondContact O-N 3.25Å
395	L	97.1	Very high	89.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.7	-179	-85.3	66.7	0	0	0	109.7	I361 I363 L393 L422 Y434 L436 L451	I361-L395 HydrophobicContact CB-CB 3.76Å; I361-L395 HydrophobicContact CG2-CB 4.07Å; I361-L395 HydrophobicContact CG2-CD2 4.14Å; I361-L395 PolarHBondContact N-O 2.89Å; I361-L395 PolarHBondContact O-N 2.94Å; I363-L395 HydrophobicContact CD1-CD1 4.02Å; I363-L395 HydrophobicContact CD1-CD2 4.07Å; I363-L395 HydrophobicContact CG1-CD1 4.18Å; L393-L395 HydrophobicContact CB-CD1 4.4Å; L393-L395 HydrophobicContact CD2-CD1 3.76Å; L393-L395 HydrophobicContact CG-CD1 3.66Å; L395-L422 HydrophobicContact CD2-CD2 3.47Å; L395-L422 VanDerWaalsContact CD2-CD2 3.47Å; L395-Y434 HydrophobicContact CB-CD1 4.04Å; L395-Y434 HydrophobicContact CB-CE1 3.77Å; L395-Y434 HydrophobicContact CD2-CD1 3.7Å; L395-Y434 HydrophobicContact CD2-CD2 4.2Å; L395-Y434 HydrophobicContact CD2-CE1 4.25Å; L395-Y434 HydrophobicContact CD2-CG 3.66Å; L395-Y434 HydrophobicContact CG-CD1 3.69Å; L395-Y434 HydrophobicContact CG-CE1 3.96Å; L395-Y434 HydrophobicContact CG-CG 4.2Å; L395-L436 HydrophobicContact CD2-CD2 3.99Å; L395-L451 WeakPolarHBondContact CA-O 3.49Å; L395-L451 HydrophobicContact CD1-CB 4.06Å; L395-L451 HydrophobicContact CD1-CD2 4.4Å; L395-L451 HydrophobicContact CD2-CD2 4.48Å; L395-L451 HydrophobicContact CG-CB 4.13Å; L395-L451 HydrophobicContact CG-CD2 4.27Å
396	S	95.9	Very high	89.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-169.5	164.3	174.9	56.6	0	0	0	0	109.7	F360 S398 Y434 H450 L451 A452	F360-S396 WeakPolarHBondContact CD1-OG 3.43Å; F360-S396 WeakPolarHBondContact CE1-OG 3.5Å; S396-S398 PolarHBondContact O-N 2.96Å; S396-S398 PolarHBondContact OG-O 3.15Å; S396-Y434 WeakPolarHBondContact CA-OH 3.28Å; S396-H450 PolarHBondContact O-CE1 3.18Å; S396-H450 PolarHBondContact O-NE2 3.27Å; S396-H450 PolarHBondContact OG-CD2 2.94Å; S396-H450 PolarHBondContact OG-NE2 3.29Å; S396-L451 PolarHBondContact N-O 2.87Å; S396-A452 WeakPolarHBondContact O-CA 3.34Å
397	P	94.2	Very high	89.6	Confident	36 Å²	36	54.5 Å²	54.5	23%	0.234	27%	0.269	C	S	.	.	S	Bend	trans	-63.1	-23.5	175	-27.3	40.4	0	0	0	114.7	N402 P403 V406 P453 M456	P397-N402 VanDerWaalsContact CD-OD1 3.29Å; P397-N402 WeakPolarHBondContact CD-OD1 3.4Å; P397-P403 HydrophobicContact CB-CG 4.17Å; P397-V406 HydrophobicContact CG-CG2 3.97Å; P397-P453 HydrophobicContact CG-CG 4.31Å; P397-M456 HydrophobicContact CG-CE 3.44Å; P397-M456 VanDerWaalsContact CG-CE 3.44Å
398	S	91.7	Very high	89.9	Confident	47 Å²	47	54.3 Å²	54.3	33%	0.329	27%	0.267	S	S	.	.			trans	-140.7	139.8	-177.6	162.5	0	0	0	0	110.8	S396 E401	S396-S398 PolarHBondContact O-N 2.96Å; S396-S398 PolarHBondContact OG-O 3.15Å; S398-E401 WeakPolarHBondContact CB-O 2.99Å; S398-E401 PolarHBondContact OG-O 2.78Å
399	V	87.5	Confident	90.3	Very high	52 Å²	52	52.6 Å²	52.6	32%	0.315	26%	0.255	S	S	.	.	S	Bend	trans	-62.8	-41.6	-178.7	178.8	0	0	0	0	112.3	Y448 H450	V399-Y448 HydrophobicContact CG1-CD1 3.9Å; V399-Y448 HydrophobicContact CG1-CD2 3.45Å; V399-Y448 VanDerWaalsContact CG1-CD2 3.45Å; V399-Y448 HydrophobicContact CG1-CE1 4.43Å; V399-Y448 HydrophobicContact CG1-CE2 4.03Å; V399-Y448 HydrophobicContact CG1-CG 3.36Å; V399-H450 HydrophobicContact CG1-CB 4.46Å; V399-H450 HydrophobicContact CG2-CB 4.07Å; V399-H450 WeakPolarHBondContact CG2-ND1 3.27Å
400	K	82.3	Confident	90.8	Very high	188 Å²	188	44.7 Å²	44.7	82%	0.817	22%	0.222	S	C	*	.	S	Bend	trans	-83.1	-44.4	-168.6	-69.3	-176.1	178.5	179.7	0	112.6
401	E	82.6	Confident	91.2	Very high	115 Å²	115	41 Å²	41	54%	0.537	20%	0.203	S	C	.	.			trans	-153.3	137	-175.4	-175.4	172.9	-167.1	0	0	108.7	S398 P403 H404	S398-E401 WeakPolarHBondContact CB-O 2.99Å; S398-E401 PolarHBondContact OG-O 2.78Å; E401-P403 WeakPolarHBondContact O-CD 3.4Å; E401-H404 IonicContact OE1-CE1 3.8Å; E401-H404 IonicContact OE1-NE2 3.73Å
402	N	85.5	Confident	91.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.2	C	C	.	.			trans	-70.5	124.4	173.3	-176.8	51.8	0	0	0	109.5	M272 G359 F360 P397 H404 G407	M272-N402 WeakPolarHBondContact CE-O 3.44Å; M272-N402 HydrophobicContact SD-CB 4.08Å; M272-N402 PolarHBondContact SD-ND2 3.04Å; G359-N402 WeakPolarHBondContact CA-ND2 3.38Å; G359-N402 PolarHBondContact O-ND2 2.79Å; G359-N402 PolarHBondContact O-OD1 3.23Å; F360-N402 HydrophobicContact CE1-CB 4.41Å; F360-N402 HydrophobicContact CE2-CB 4.5Å; F360-N402 HydrophobicContact CZ-CB 4.3Å; P397-N402 VanDerWaalsContact CD-OD1 3.29Å; P397-N402 WeakPolarHBondContact CD-OD1 3.4Å; N402-H404 PolarHBondContact O-N 3.04Å; N402-G407 PolarHBondContact ND2-O 3.23Å
403	P	89.4	Confident	91.4	Very high	28 Å²	28	40.4 Å²	40.4	18%	0.182	20%	0.2	C	C	.	.			trans	-63.4	131.3	-175	-20.7	31.1	0	0	0	112.6	P397 E401 W405 V406	P397-P403 HydrophobicContact CB-CG 4.17Å; E401-P403 WeakPolarHBondContact O-CD 3.4Å; P403-W405 HydrophobicContact CB-CD2 4.23Å; P403-W405 HydrophobicContact CB-CG 4.17Å; P403-W405 HydrophobicContact CB-CZ2 4.13Å; P403-W405 HydrophobicContact CG-CZ2 4.19Å; P403-W405 PolarHBondContact O-N 2.72Å; P403-V406 HydrophobicContact CB-CG2 4.07Å; P403-V406 HydrophobicContact CG-CG2 4.28Å; P403-V406 WeakPolarHBondContact O-CB 3.36Å; P403-V406 PolarHBondContact O-N 2.62Å
404	H	88.7	Confident	91.3	Very high	138 Å²	138	41.2 Å²	41.2	64%	0.639	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.5	-178.7	-65.1	-58.5	0	0	0	114.4	M272 E401 N402 V406 G407	M272-H404 HydrophobicContact CE-CB 4.49Å; M272-H404 WeakPolarHBondContact CE-ND1 3.3Å; E401-H404 IonicContact OE1-CE1 3.8Å; E401-H404 IonicContact OE1-NE2 3.73Å; N402-H404 PolarHBondContact O-N 3.04Å; H404-V406 PolarHBondContact O-N 2.71Å; H404-G407 PolarHBondContact O-N 2.86Å
405	W	91.2	Very high	90.7	Very high	134 Å²	134	41.7 Å²	41.7	51%	0.508	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22	179	60.5	-103	0	0	0	113.4	P403 T428 Y430 M456	P403-W405 HydrophobicContact CB-CD2 4.23Å; P403-W405 HydrophobicContact CB-CG 4.17Å; P403-W405 HydrophobicContact CB-CZ2 4.13Å; P403-W405 HydrophobicContact CG-CZ2 4.19Å; P403-W405 PolarHBondContact O-N 2.72Å; W405-T428 WeakPolarHBondContact O-CB 3.15Å; W405-T428 WeakPolarHBondContact O-CG2 3.47Å; W405-T428 PolarHBondContact O-OG1 3.09Å; W405-Y430 HydrophobicContact CE3-CD2 4.38Å; W405-Y430 HydrophobicContact CE3-CE1 4.12Å; W405-Y430 AromaticContact CE3-CE2 3.82Å; W405-Y430 HydrophobicContact CE3-CE2 3.82Å; W405-Y430 AromaticContact CE3-CZ 3.66Å; W405-Y430 AromaticContact CZ3-CD1 3.96Å; W405-Y430 HydrophobicContact CZ3-CD1 3.96Å; W405-Y430 HydrophobicContact CZ3-CD2 4.39Å; W405-Y430 AromaticContact CZ3-CE1 3.6Å; W405-Y430 HydrophobicContact CZ3-CE1 3.6Å; W405-Y430 HydrophobicContact CZ3-CE2 4.07Å; W405-Y430 HydrophobicContact CZ3-CG 4.3Å; W405-Y430 AromaticContact CZ3-CZ 3.65Å; W405-M456 HydrophobicContact CH2-CG 4.43Å
406	V	93	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-31.7	174.3	-173.9	0	0	0	0	110.3	P397 P403 H404 Y426 T428 M456	P397-V406 HydrophobicContact CG-CG2 3.97Å; P403-V406 HydrophobicContact CB-CG2 4.07Å; P403-V406 HydrophobicContact CG-CG2 4.28Å; P403-V406 WeakPolarHBondContact O-CB 3.36Å; P403-V406 PolarHBondContact O-N 2.62Å; H404-V406 PolarHBondContact O-N 2.71Å; V406-Y426 HydrophobicContact CG1-CD1 3.39Å; V406-Y426 HydrophobicContact CG1-CD2 3.96Å; V406-Y426 HydrophobicContact CG1-CE1 3.64Å; V406-Y426 HydrophobicContact CG1-CE2 4.17Å; V406-Y426 HydrophobicContact CG1-CG 3.56Å; V406-Y426 VanDerWaalsContact O-CB 3.3Å; V406-Y426 WeakPolarHBondContact O-CB 3.49Å; V406-T428 PolarHBondContact O-OG1 2.89Å; V406-M456 HydrophobicContact CG1-CE 4.12Å
407	G	91.8	Very high	89	Confident	7 Å²	7	46.8 Å²	46.8	7%	0.072	23%	0.225	C	C	.	.			trans	66.5	-159.1	-166.7	0	0	0	0	0	111.7	N402 H404 T427	N402-G407 PolarHBondContact ND2-O 3.23Å; H404-G407 PolarHBondContact O-N 2.86Å; G407-T427 WeakPolarHBondContact CA-OG1 3.45Å
408	W	93.2	Very high	88.6	Confident	9 Å²	9	47.1 Å²	47.1	3%	0.034	22%	0.223	C	C	.	.			trans	-105.1	153.6	-177.2	47.1	-97	0	0	0	112.1	T266 L267 Y268 D270 M272 T312 Q357 T410 Y426 T427	T266-W408 HydrophobicContact CG2-CH2 3.94Å; T266-W408 HydrophobicContact CG2-CZ2 3.89Å; L267-W408 WeakPolarHBondContact O-CZ2 3.47Å; Y268-W408 AromaticContact CD1-CH2 3.75Å; Y268-W408 HydrophobicContact CD1-CH2 3.75Å; Y268-W408 HydrophobicContact CD1-CZ2 4.42Å; Y268-W408 HydrophobicContact CD1-CZ3 4.34Å; Y268-W408 HydrophobicContact CE1-CH2 4.29Å; D270-W408 PolarHBondContact O-NE1 2.66Å; M272-W408 HydrophobicContact CG-CB 4.09Å; M272-W408 HydrophobicContact CG-CG 4.45Å; T312-W408 HydrophobicContact CG2-CE3 3.68Å; T312-W408 HydrophobicContact CG2-CH2 4.26Å; T312-W408 HydrophobicContact CG2-CZ3 3.42Å; T312-W408 VanDerWaalsContact CG2-CZ3 3.42Å; Q357-W408 HydrophobicContact CG-CD2 4.39Å; Q357-W408 HydrophobicContact CG-CG 4.4Å; W408-T410 HydrophobicContact CE3-CG2 4.04Å; W408-T410 HydrophobicContact CH2-CG2 4.33Å; W408-T410 HydrophobicContact CZ3-CG2 3.66Å; W408-Y426 WeakPolarHBondContact O-CA 3.14Å; W408-T427 HydrophobicContact CD2-CG2 3.4Å; W408-T427 HydrophobicContact CE3-CG2 3.57Å; W408-T427 HydrophobicContact CG-CG2 4.07Å; W408-T427 HydrophobicContact CH2-CG2 3.66Å; W408-T427 HydrophobicContact CZ2-CG2 3.48Å; W408-T427 VanDerWaalsContact CZ2-CG2 3.48Å; W408-T427 HydrophobicContact CZ3-CG2 3.7Å; W408-T427 PolarHBondContact N-OG1 2.7Å; W408-T427 PolarHBondContact O-N 3.37Å
409	P	95.6	Very high	88.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.9	-178.5	29.1	-37.9	0	0	0	111.5	T312 A355 C356 I361 V424 G425 Y426	T312-P409 WeakPolarHBondContact CB-O 3.49Å; T312-P409 PolarHBondContact OG1-O 2.87Å; A355-P409 HydrophobicContact CB-CB 3.85Å; A355-P409 HydrophobicContact CB-CG 3.86Å; C356-P409 WeakPolarHBondContact O-CD 3.28Å; C356-P409 WeakPolarHBondContact O-CG 3.11Å; I361-P409 HydrophobicContact CD1-CB 4.04Å; I361-P409 HydrophobicContact CG1-CB 4.01Å; I361-P409 HydrophobicContact CG1-CG 3.99Å; P409-V424 HydrophobicContact CB-CG1 3.73Å; P409-G425 CarbonylContact C-O 3.59Å; P409-G425 WeakPolarHBondContact CA-O 3.34Å; P409-Y426 HydrophobicContact CB-CD1 4.15Å; P409-Y426 HydrophobicContact CB-CE1 3.99Å
410	T	91.3	Very high	88.6	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-31.9	-176.8	53.1	0	0	0	0	113.3	Y268 W408 G425 T427 I464	Y268-T410 HydrophobicContact CD1-CG2 3.74Å; Y268-T410 HydrophobicContact CE1-CG2 3.63Å; W408-T410 HydrophobicContact CE3-CG2 4.04Å; W408-T410 HydrophobicContact CH2-CG2 4.33Å; W408-T410 HydrophobicContact CZ3-CG2 3.66Å; T410-G425 PolarHBondContact N-O 2.73Å; T410-G425 PolarHBondContact OG1-O 3.43Å; T410-T427 HydrophobicContact CG2-CG2 3.41Å; T410-T427 VanDerWaalsContact CG2-CG2 3.41Å; T410-I464 WeakPolarHBondContact CB-O 3.32Å; T410-I464 PolarHBondContact OG1-O 3.37Å
411	C	90.8	Very high	89.1	Confident	13 Å²	13	38.4 Å²	38.4	9%	0.088	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.5	-178.7	56.7	0	0	0	0	110.3	D313 V424 G425	D313-C411 WeakPolarHBondContact OD2-CA 3.48Å; C411-V424 WeakPolarHBondContact O-CA 3.07Å; C411-G425 PolarHBondContact O-N 3.2Å
412	T	94.5	Very high	89.7	Confident	13 Å²	13	33 Å²	33	8%	0.08	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.9	-179.1	61.6	0	0	0	0	109	D313 C315 A355 I361 F423 V424	D313-T412 WeakPolarHBondContact OD2-CA 3.49Å; D313-T412 WeakPolarHBondContact OD2-CB 3.38Å; D313-T412 PolarHBondContact OD2-N 2.71Å; D313-T412 PolarHBondContact OD2-OG1 2.84Å; C315-T412 PolarHBondContact SG-OG1 3.37Å; A355-T412 HydrophobicContact CB-CG2 4Å; I361-T412 HydrophobicContact CD1-CG2 4.16Å; T412-F423 CarbonylContact C-O 3.55Å; T412-F423 VanDerWaalsContact CA-O 3.28Å; T412-F423 WeakPolarHBondContact CA-O 3.42Å; T412-V424 HydrophobicContact CG2-CG2 4.49Å
413	H	92.9	Very high	90.2	Very high	33 Å²	33	33 Å²	33	15%	0.153	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	129.2	174.3	-171.2	80.5	0	0	0	110.7	F423 L467 L469	H413-F423 PolarHBondContact N-O 2.63Å; H413-F423 PolarHBondContact O-N 2.79Å; H413-L467 HydrophobicContact CB-CB 3.75Å; H413-L467 PolarHBondContact ND1-O 3.12Å; H413-L469 VanDerWaalsContact CD2-CB 3.49Å; H413-L469 WeakPolarHBondContact CD2-CB 3.23Å; H413-L469 PolarHBondContact CD2-N 3.22Å; H413-L469 PolarHBondContact NE2-N 2.99Å; H413-L469 VanDerWaalsContact NE2-N 3.19Å
414	I	91.4	Very high	90.6	Very high	18 Å²	18	31.7 Å²	31.7	9%	0.092	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.8	177.3	-176.1	157.2	0	0	0	109.2	I317 P318 I353 P419 L422 L436	I317-I414 HydrophobicContact CD1-CD1 3.7Å; P318-I414 HydrophobicContact CG-CG1 4.11Å; P318-I414 HydrophobicContact CG-CG2 4.22Å; I353-I414 HydrophobicContact CD1-CD1 4.23Å; I353-I414 HydrophobicContact CD1-CG2 4.08Å; I414-P419 VanDerWaalsContact CD1-O 3.3Å; I414-P419 WeakPolarHBondContact CD1-O 3.25Å; I414-L422 HydrophobicContact CB-CD1 4.11Å; I414-L422 HydrophobicContact CD1-CB 4.39Å; I414-L436 HydrophobicContact CD1-CD1 3.73Å
415	R	83.9	Confident	90.9	Very high	31 Å²	31	25.1 Å²	25.1	12%	0.117	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.6	-178.4	-82	-160.6	-178.4	-87.2	-12	112.4	E417 F418 P419 S468 L469 W519	R415-E417 VanDerWaalsContact C-N 3.25Å; R415-E417 WeakPolarHBondContact CB-OE2 3.38Å; R415-E417 PolarHBondContact O-N 2.72Å; R415-F418 CarbonylContact O-C 3.56Å; R415-F418 PolarHBondContact O-N 2.68Å; R415-P419 VanDerWaalsContact O-CA 3.29Å; R415-P419 WeakPolarHBondContact O-CA 3.39Å; R415-P419 VanDerWaalsContact O-N 3.12Å; R415-S468 PolarHBondContact NH2-OG 3.19Å; R415-L469 HydrophobicContact CB-CD2 4.29Å; R415-L469 HydrophobicContact CG-CB 4.28Å; R415-L469 HydrophobicContact CG-CD2 4.38Å; R415-L469 VanDerWaalsContact CZ-O 3.25Å; R415-L469 PolarHBondContact NE-O 3.09Å; R415-L469 PolarHBondContact NH2-O 3.09Å; R415-W519 PolarHBondContact NH2-O 3.29Å
416	R	81	Confident	91	Very high	50 Å²	50	18.7 Å²	18.7	19%	0.189	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.7	174.2	-175.2	165.4	-177.2	-177.1	5.6	112.3	F147 T150 P318 V319 F418 P419	F147-R416 HydrophobicContact CD1-CG 4.05Å; F147-R416 VanDerWaalsContact CE1-CD 3.41Å; F147-R416 HydrophobicContact CE1-CG 3.97Å; T150-R416 WeakPolarHBondContact CG2-O 3.22Å; P318-R416 HydrophobicContact CB-CB 4.18Å; P318-R416 HydrophobicContact CG-CB 4.35Å; P318-R416 WeakPolarHBondContact O-CB 3.4Å; P318-R416 WeakPolarHBondContact O-CD 3.44Å; P318-R416 VanDerWaalsContact O-CG 3.23Å; P318-R416 WeakPolarHBondContact O-CG 3.41Å; V319-R416 HydrophobicContact CG1-CG 4.14Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 3.07Å; R416-P419 WeakPolarHBondContact O-CD 3.27Å
417	E	76.8	Confident	90.9	Very high	57 Å²	57	19.4 Å²	19.4	27%	0.266	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.4	176.9	-59.9	86.1	172.6	0	0	112.4	R415 P471	R415-E417 VanDerWaalsContact C-N 3.25Å; R415-E417 WeakPolarHBondContact CB-OE2 3.38Å; R415-E417 PolarHBondContact O-N 2.72Å; E417-P471 WeakPolarHBondContact CG-O 3.36Å
418	F	85.7	Confident	90.9	Very high	44 Å²	44	20.9 Å²	20.9	19%	0.193	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	64.8	-178.6	-52.4	-72.5	0	0	0	110	R415 R416 D420 R421 L469 P471 G474	R415-F418 CarbonylContact O-C 3.56Å; R415-F418 PolarHBondContact O-N 2.68Å; R416-F418 VanDerWaalsContact C-N 3.26Å; R416-F418 PolarHBondContact O-N 3.07Å; F418-D420 PolarHBondContact O-N 2.85Å; F418-D420 VanDerWaalsContact O-N 3.15Å; F418-R421 HydrophobicContact CB-CB 4.08Å; F418-R421 HydrophobicContact CB-CG 3.97Å; F418-R421 PolarHBondContact O-N 2.88Å; F418-L469 HydrophobicContact CB-CD2 4.04Å; F418-L469 HydrophobicContact CD2-CD2 3.69Å; F418-L469 HydrophobicContact CD2-CG 4.49Å; F418-L469 HydrophobicContact CG-CD2 4.2Å; F418-P471 WeakPolarHBondContact CE2-O 3.29Å; F418-G474 VanDerWaalsContact CE2-CA 3.47Å; F418-G474 VanDerWaalsContact CE2-N 3.27Å
419	P	88.1	Confident	90.7	Very high	11 Å²	11	20.5 Å²	20.5	7%	0.071	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-11.6	-169	34.4	-40.3	0	0	0	113.1	T150 Q151 V319 I414 R415 R416	T150-P419 HydrophobicContact CG2-CB 4.41Å; T150-P419 HydrophobicContact CG2-CG 3.63Å; Q151-P419 WeakPolarHBondContact O-CG 3.49Å; V319-P419 HydrophobicContact CG1-CB 3.69Å; V319-P419 HydrophobicContact CG1-CG 4.18Å; V319-P419 HydrophobicContact CG2-CB 4.05Å; I414-P419 VanDerWaalsContact CD1-O 3.3Å; I414-P419 WeakPolarHBondContact CD1-O 3.25Å; R415-P419 VanDerWaalsContact O-CA 3.29Å; R415-P419 WeakPolarHBondContact O-CA 3.39Å; R415-P419 VanDerWaalsContact O-N 3.12Å; R416-P419 WeakPolarHBondContact O-CD 3.27Å
420	D	91.3	Very high	90.7	Very high	38 Å²	38	22.9 Å²	22.9	20%	0.203	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-16	172.2	65.1	-52	0	0	0	112.6	P153 F418 N435 L436	P153-D420 HydrophobicContact CB-CB 4.24Å; F418-D420 PolarHBondContact O-N 2.85Å; F418-D420 VanDerWaalsContact O-N 3.15Å; D420-N435 CarbonylContact O-C 3.56Å; D420-N435 WeakPolarHBondContact O-CA 3.39Å; D420-L436 PolarHBondContact O-N 3.17Å
421	R	92.4	Very high	90.8	Very high	55 Å²	55	22.5 Å²	22.5	21%	0.208	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	98.5	-173.5	-56.8	-168	-177.2	-149.9	-6.9	111.7	F418 F423 Y433 G474	F418-R421 HydrophobicContact CB-CB 4.08Å; F418-R421 HydrophobicContact CB-CG 3.97Å; F418-R421 PolarHBondContact O-N 2.88Å; R421-F423 HydrophobicContact CB-CE2 3.97Å; R421-F423 HydrophobicContact CB-CZ 4.37Å; R421-Y433 HydrophobicContact CB-CE2 3.76Å; R421-Y433 HydrophobicContact CG-CE2 3.8Å; R421-G474 WeakPolarHBondContact CD-O 3.16Å; R421-G474 PolarHBondContact NH1-O 2.95Å
422	L	96.3	Very high	91	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.3	171.9	176.3	65.5	0	0	0	110.2	I353 I363 L395 I414 V424 Y434 L436	I353-L422 HydrophobicContact CD1-CD1 3.82Å; I353-L422 HydrophobicContact CD1-CD2 4.26Å; I353-L422 HydrophobicContact CG2-CD1 4.39Å; I353-L422 HydrophobicContact CG2-CD2 4.06Å; I363-L422 HydrophobicContact CD1-CD2 4.33Å; L395-L422 HydrophobicContact CD2-CD2 3.47Å; L395-L422 VanDerWaalsContact CD2-CD2 3.47Å; I414-L422 HydrophobicContact CB-CD1 4.11Å; I414-L422 HydrophobicContact CD1-CB 4.39Å; L422-V424 HydrophobicContact CD2-CG2 4.37Å; L422-V424 HydrophobicContact CG-CG2 4.14Å; L422-Y434 PolarHBondContact N-O 3.28Å; L422-Y434 PolarHBondContact O-N 3.33Å; L422-L436 HydrophobicContact CB-CD1 4.12Å; L422-L436 HydrophobicContact CB-CD2 4.06Å; L422-L436 HydrophobicContact CB-CG 4.05Å; L422-L436 HydrophobicContact CD2-CD2 4.06Å
423	F	95.4	Very high	91	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	143.2	171.5	-64	-74.4	0	0	0	110.7	T412 H413 R421 G432 Y433 L467 L469 L477 L491	T412-F423 CarbonylContact C-O 3.55Å; T412-F423 VanDerWaalsContact CA-O 3.28Å; T412-F423 WeakPolarHBondContact CA-O 3.42Å; H413-F423 PolarHBondContact N-O 2.63Å; H413-F423 PolarHBondContact O-N 2.79Å; R421-F423 HydrophobicContact CB-CE2 3.97Å; R421-F423 HydrophobicContact CB-CZ 4.37Å; F423-G432 WeakPolarHBondContact CA-O 3.47Å; F423-Y433 HydrophobicContact CD1-CD2 4.09Å; F423-Y433 HydrophobicContact CD1-CG 4.48Å; F423-Y433 AromaticContact CE1-CD2 3.38Å; F423-Y433 HydrophobicContact CE1-CD2 3.38Å; F423-Y433 HydrophobicContact CE1-CE2 4.28Å; F423-Y433 AromaticContact CE1-CG 3.76Å; F423-Y433 HydrophobicContact CE1-CG 3.76Å; F423-Y433 HydrophobicContact CE2-CD2 4.47Å; F423-Y433 AromaticContact CZ-CD2 3.66Å; F423-Y433 HydrophobicContact CZ-CD2 3.66Å; F423-Y433 HydrophobicContact CZ-CE2 4.11Å; F423-Y433 HydrophobicContact CZ-CG 4.36Å; F423-L467 HydrophobicContact CB-CD1 4.06Å; F423-L469 HydrophobicContact CD2-CB 4.4Å; F423-L469 HydrophobicContact CD2-CD1 4.12Å; F423-L469 HydrophobicContact CD2-CD2 4.4Å; F423-L469 HydrophobicContact CE2-CB 4.37Å; F423-L469 HydrophobicContact CE2-CD1 3.37Å; F423-L469 HydrophobicContact CE2-CD2 3.8Å; F423-L469 HydrophobicContact CE2-CG 4.03Å; F423-L469 HydrophobicContact CZ-CD1 3.94Å; F423-L477 HydrophobicContact CB-CD1 4.3Å; F423-L477 HydrophobicContact CB-CD2 4.35Å; F423-L477 HydrophobicContact CD1-CD1 4.49Å; F423-L477 HydrophobicContact CD1-CD2 3.84Å; F423-L477 HydrophobicContact CD2-CD1 4.09Å; F423-L477 HydrophobicContact CE1-CD2 4.44Å; F423-L477 HydrophobicContact CG-CD1 4Å; F423-L477 HydrophobicContact CG-CD2 4.06Å; F423-L491 HydrophobicContact CD1-CD1 3.77Å; F423-L491 HydrophobicContact CE1-CD1 3.04Å; F423-L491 HydrophobicContact CZ-CD1 3.57Å
424	V	96.8	Very high	91.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.2	-175.5	179.5	0	0	0	0	109	I361 P409 C411 T412 L422 Y426 V431 G432 Y434	I361-V424 HydrophobicContact CD1-CB 3.8Å; I361-V424 HydrophobicContact CD1-CG1 3.28Å; I361-V424 HydrophobicContact CD1-CG2 3.13Å; P409-V424 HydrophobicContact CB-CG1 3.73Å; C411-V424 WeakPolarHBondContact O-CA 3.07Å; T412-V424 HydrophobicContact CG2-CG2 4.49Å; L422-V424 HydrophobicContact CD2-CG2 4.37Å; L422-V424 HydrophobicContact CG-CG2 4.14Å; V424-Y426 HydrophobicContact CB-CE2 3.92Å; V424-Y426 HydrophobicContact CG1-CD1 4.47Å; V424-Y426 HydrophobicContact CG1-CD2 4.08Å; V424-Y426 HydrophobicContact CG1-CE1 3.96Å; V424-Y426 HydrophobicContact CG1-CE2 3.51Å; V424-Y426 VanDerWaalsContact CG1-CZ 3.44Å; V424-V431 CarbonylContact O-C 3.47Å; V424-V431 WeakPolarHBondContact O-CA 3.34Å; V424-G432 PolarHBondContact N-O 3.03Å; V424-G432 PolarHBondContact O-N 2.75Å; V424-Y434 HydrophobicContact CB-CD2 4.48Å; V424-Y434 HydrophobicContact CB-CE2 4.09Å; V424-Y434 HydrophobicContact CG2-CD2 3.68Å; V424-Y434 HydrophobicContact CG2-CE2 3.62Å
425	G	95	Very high	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146	170.9	0	0	0	0	0	110.4	P409 T410 C411 L467	P409-G425 CarbonylContact C-O 3.59Å; P409-G425 WeakPolarHBondContact CA-O 3.34Å; T410-G425 PolarHBondContact N-O 2.73Å; T410-G425 PolarHBondContact OG1-O 3.43Å; C411-G425 PolarHBondContact O-N 3.2Å; G425-L467 VanDerWaalsContact N-CD1 3.25Å
426	Y	94.5	Very high	91.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	163.1	-178.6	-64.8	-89.4	0	0	0	112.7	V406 W408 P409 V424 T428 G429 Y430 Y434 M456 I464	V406-Y426 HydrophobicContact CG1-CD1 3.39Å; V406-Y426 HydrophobicContact CG1-CD2 3.96Å; V406-Y426 HydrophobicContact CG1-CE1 3.64Å; V406-Y426 HydrophobicContact CG1-CE2 4.17Å; V406-Y426 HydrophobicContact CG1-CG 3.56Å; V406-Y426 VanDerWaalsContact O-CB 3.3Å; V406-Y426 WeakPolarHBondContact O-CB 3.49Å; W408-Y426 WeakPolarHBondContact O-CA 3.14Å; P409-Y426 HydrophobicContact CB-CD1 4.15Å; P409-Y426 HydrophobicContact CB-CE1 3.99Å; V424-Y426 HydrophobicContact CB-CE2 3.92Å; V424-Y426 HydrophobicContact CG1-CD1 4.47Å; V424-Y426 HydrophobicContact CG1-CD2 4.08Å; V424-Y426 HydrophobicContact CG1-CE1 3.96Å; V424-Y426 HydrophobicContact CG1-CE2 3.51Å; V424-Y426 VanDerWaalsContact CG1-CZ 3.44Å; Y426-T428 PolarHBondContact O-N 3.11Å; Y426-G429 PolarHBondContact O-N 3.24Å; Y426-Y430 WeakPolarHBondContact CD2-O 3.47Å; Y426-Y430 PolarHBondContact N-O 3.39Å; Y426-Y434 PolarHBondContact OH-OH 3.02Å; Y426-M456 HydrophobicContact CD2-CE 4.46Å; Y426-M456 HydrophobicContact CD2-SD 4.38Å; Y426-M456 HydrophobicContact CE2-CE 3.77Å; Y426-M456 HydrophobicContact CE2-SD 4.05Å; Y426-I464 PolarHBondContact O-N 3.13Å
427	T	91.2	Very high	92.4	Very high	14 Å²	14	19.4 Å²	19.4	9%	0.086	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.4	-179	52.1	0	0	0	0	115.1	Y268 G407 W408 T410 P463	Y268-T427 HydrophobicContact CD1-CG2 4.01Å; G407-T427 WeakPolarHBondContact CA-OG1 3.45Å; W408-T427 HydrophobicContact CD2-CG2 3.4Å; W408-T427 HydrophobicContact CE3-CG2 3.57Å; W408-T427 HydrophobicContact CG-CG2 4.07Å; W408-T427 HydrophobicContact CH2-CG2 3.66Å; W408-T427 HydrophobicContact CZ2-CG2 3.48Å; W408-T427 VanDerWaalsContact CZ2-CG2 3.48Å; W408-T427 HydrophobicContact CZ3-CG2 3.7Å; W408-T427 PolarHBondContact N-OG1 2.7Å; W408-T427 PolarHBondContact O-N 3.37Å; T410-T427 HydrophobicContact CG2-CG2 3.41Å; T410-T427 VanDerWaalsContact CG2-CG2 3.41Å; T427-P463 WeakPolarHBondContact O-CA 3.37Å; T427-P463 WeakPolarHBondContact O-CB 3.39Å; T427-P463 WeakPolarHBondContact O-CD 3.05Å; T427-P463 WeakPolarHBondContact O-CG 2.95Å
428	T	90.4	Very high	93.1	Very high	39 Å²	39	17.7 Å²	17.7	24%	0.239	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	11.5	179.8	62.2	0	0	0	0	113.7	W405 V406 Y426 Y430 R458	W405-T428 WeakPolarHBondContact O-CB 3.15Å; W405-T428 WeakPolarHBondContact O-CG2 3.47Å; W405-T428 PolarHBondContact O-OG1 3.09Å; V406-T428 PolarHBondContact O-OG1 2.89Å; Y426-T428 PolarHBondContact O-N 3.11Å; T428-Y430 WeakPolarHBondContact OG1-CD2 3.2Å; T428-R458 PolarHBondContact O-NE 2.79Å
429	G	90.2	Very high	93.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	83.4	12.1	177.9	0	0	0	0	0	114.6	Y426 L459 T460 S462	Y426-G429 PolarHBondContact O-N 3.24Å; G429-L459 PolarHBondContact O-N 2.83Å; G429-L459 VanDerWaalsContact O-N 3.08Å; G429-T460 WeakPolarHBondContact CA-O 3.05Å; G429-T460 WeakPolarHBondContact CA-OG1 3.36Å; G429-T460 PolarHBondContact O-N 2.76Å; G429-T460 PolarHBondContact O-OG1 3.33Å; G429-S462 WeakPolarHBondContact CA-O 2.88Å
430	Y	94.5	Very high	93.5	Very high	50 Å²	50	17.9 Å²	17.9	20%	0.196	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.3	170.4	-74.8	-95.1	0	0	0	111.3	W405 Y426 T428 M456 S457 R458	W405-Y430 HydrophobicContact CE3-CD2 4.38Å; W405-Y430 HydrophobicContact CE3-CE1 4.12Å; W405-Y430 AromaticContact CE3-CE2 3.82Å; W405-Y430 HydrophobicContact CE3-CE2 3.82Å; W405-Y430 AromaticContact CE3-CZ 3.66Å; W405-Y430 AromaticContact CZ3-CD1 3.96Å; W405-Y430 HydrophobicContact CZ3-CD1 3.96Å; W405-Y430 HydrophobicContact CZ3-CD2 4.39Å; W405-Y430 AromaticContact CZ3-CE1 3.6Å; W405-Y430 HydrophobicContact CZ3-CE1 3.6Å; W405-Y430 HydrophobicContact CZ3-CE2 4.07Å; W405-Y430 HydrophobicContact CZ3-CG 4.3Å; W405-Y430 AromaticContact CZ3-CZ 3.65Å; Y426-Y430 WeakPolarHBondContact CD2-O 3.47Å; Y426-Y430 PolarHBondContact N-O 3.39Å; T428-Y430 WeakPolarHBondContact OG1-CD2 3.2Å; Y430-M456 HydrophobicContact CD1-CG 3.78Å; Y430-M456 HydrophobicContact CD1-SD 4.31Å; Y430-S457 CarbonylContact C-O 3.34Å; Y430-S457 WeakPolarHBondContact CA-O 3.09Å; Y430-R458 HydrophobicContact CD1-CB 3.81Å; Y430-R458 HydrophobicContact CD1-CG 4.37Å; Y430-R458 HydrophobicContact CD2-CB 4.36Å; Y430-R458 HydrophobicContact CD2-CG 4.03Å; Y430-R458 HydrophobicContact CE1-CB 3.6Å; Y430-R458 HydrophobicContact CE1-CG 4.22Å; Y430-R458 HydrophobicContact CE2-CB 4.2Å; Y430-R458 HydrophobicContact CE2-CG 3.89Å; Y430-R458 HydrophobicContact CG-CB 4.23Å; Y430-R458 HydrophobicContact CG-CG 4.32Å
431	V	94.6	Very high	93.6	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	169.3	177.6	0	0	0	0	108.7	V424 S457 L459 I464 L467 L477 V479	V424-V431 CarbonylContact O-C 3.47Å; V424-V431 WeakPolarHBondContact O-CA 3.34Å; V431-S457 PolarHBondContact N-O 3.33Å; V431-S457 PolarHBondContact O-N 2.69Å; V431-L459 HydrophobicContact CB-CD1 3.98Å; V431-L459 HydrophobicContact CB-CG 4.35Å; V431-L459 HydrophobicContact CG2-CB 4.43Å; V431-L459 HydrophobicContact CG2-CD1 3.93Å; V431-L459 HydrophobicContact CG2-CG 4.27Å; V431-I464 HydrophobicContact CG2-CD1 4.14Å; V431-I464 HydrophobicContact CG2-CG1 4.03Å; V431-L467 HydrophobicContact CG1-CD2 4.48Å; V431-L467 HydrophobicContact CG2-CD2 4.14Å; V431-L477 HydrophobicContact CG1-CD2 3.7Å; V431-V479 HydrophobicContact CG2-CG1 4.03Å; V431-V479 HydrophobicContact CG2-CG2 4.3Å
432	G	94.6	Very high	93.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.5	175.1	0	0	0	0	0	111.3	F423 V424 M456	F423-G432 WeakPolarHBondContact CA-O 3.47Å; V424-G432 PolarHBondContact N-O 3.03Å; V424-G432 PolarHBondContact O-N 2.75Å; G432-M456 VanDerWaalsContact CA-SD 3.57Å
433	Y	94.9	Very high	93.4	Very high	33 Å²	33	27.1 Å²	27.1	13%	0.129	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.4	168.9	169.8	-130.6	0	0	0	109.6	R421 F423 P453 V454 K455	R421-Y433 HydrophobicContact CB-CE2 3.76Å; R421-Y433 HydrophobicContact CG-CE2 3.8Å; F423-Y433 HydrophobicContact CD1-CD2 4.09Å; F423-Y433 HydrophobicContact CD1-CG 4.48Å; F423-Y433 AromaticContact CE1-CD2 3.38Å; F423-Y433 HydrophobicContact CE1-CD2 3.38Å; F423-Y433 HydrophobicContact CE1-CE2 4.28Å; F423-Y433 AromaticContact CE1-CG 3.76Å; F423-Y433 HydrophobicContact CE1-CG 3.76Å; F423-Y433 HydrophobicContact CE2-CD2 4.47Å; F423-Y433 AromaticContact CZ-CD2 3.66Å; F423-Y433 HydrophobicContact CZ-CD2 3.66Å; F423-Y433 HydrophobicContact CZ-CE2 4.11Å; F423-Y433 HydrophobicContact CZ-CG 4.36Å; Y433-P453 CarbonylContact O-C 3.52Å; Y433-P453 WeakPolarHBondContact O-CA 3.27Å; Y433-V454 HydrophobicContact CD1-CB 3.83Å; Y433-V454 HydrophobicContact CD1-CG1 4.12Å; Y433-V454 HydrophobicContact CE1-CB 4.02Å; Y433-V454 HydrophobicContact CE1-CG1 4.07Å; Y433-V454 HydrophobicContact CE1-CG2 4.42Å; Y433-V454 PolarHBondContact O-N 2.9Å; Y433-K455 HydrophobicContact CD1-CB 4.48Å; Y433-K455 PolarHBondContact N-O 2.82Å
434	Y	96.1	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.5	175.2	-64.1	-95.2	0	0	0	109.4	L395 S396 L422 V424 Y426 L451 P453	L395-Y434 HydrophobicContact CB-CD1 4.04Å; L395-Y434 HydrophobicContact CB-CE1 3.77Å; L395-Y434 HydrophobicContact CD2-CD1 3.7Å; L395-Y434 HydrophobicContact CD2-CD2 4.2Å; L395-Y434 HydrophobicContact CD2-CE1 4.25Å; L395-Y434 HydrophobicContact CD2-CG 3.66Å; L395-Y434 HydrophobicContact CG-CD1 3.69Å; L395-Y434 HydrophobicContact CG-CE1 3.96Å; L395-Y434 HydrophobicContact CG-CG 4.2Å; S396-Y434 WeakPolarHBondContact CA-OH 3.28Å; L422-Y434 PolarHBondContact N-O 3.28Å; L422-Y434 PolarHBondContact O-N 3.33Å; V424-Y434 HydrophobicContact CB-CD2 4.48Å; V424-Y434 HydrophobicContact CB-CE2 4.09Å; V424-Y434 HydrophobicContact CG2-CD2 3.68Å; V424-Y434 HydrophobicContact CG2-CE2 3.62Å; Y426-Y434 PolarHBondContact OH-OH 3.02Å; Y434-L451 HydrophobicContact CD1-CD2 4.35Å; Y434-L451 HydrophobicContact CD1-CG 4.28Å; Y434-L451 WeakPolarHBondContact CE1-O 3.48Å; Y434-P453 HydrophobicContact CD1-CB 4.19Å; Y434-P453 HydrophobicContact CD2-CB 4.47Å; Y434-P453 HydrophobicContact CE1-CB 3.84Å; Y434-P453 HydrophobicContact CE1-CG 4.2Å; Y434-P453 VanDerWaalsContact CE1-N 3.28Å; Y434-P453 HydrophobicContact CE2-CB 4.13Å; Y434-P453 HydrophobicContact CG-CB 4.5Å
435	N	94.4	Very high	93.3	Very high	34 Å²	34	28.7 Å²	28.7	18%	0.182	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	101.3	168.2	-178.5	-12.1	0	0	0	109.1	D420 S437 S438 V454	D420-N435 CarbonylContact O-C 3.56Å; D420-N435 WeakPolarHBondContact O-CA 3.39Å; N435-S437 PolarHBondContact O-N 3.29Å; N435-S437 WeakPolarHBondContact OD1-CB 3.44Å; N435-S437 PolarHBondContact OD1-N 2.73Å; N435-S437 PolarHBondContact OD1-OG 3.15Å; N435-S438 VanDerWaalsContact O-CB 3.29Å; N435-S438 WeakPolarHBondContact O-CB 3.37Å; N435-S438 PolarHBondContact O-N 2.97Å; N435-S438 PolarHBondContact OD1-N 3.05Å; N435-V454 HydrophobicContact CB-CG2 3.71Å
436	L	95.1	Very high	93.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.4	-176.8	-58.9	-173.3	0	0	0	113.3	P153 F154 R168 I317 I363 L395 I414 D420 L422 L451	P153-L436 HydrophobicContact CB-CB 4Å; P153-L436 HydrophobicContact CG-CB 4.21Å; F154-L436 HydrophobicContact CE1-CB 3.91Å; F154-L436 HydrophobicContact CZ-CB 4.24Å; F154-L436 HydrophobicContact CZ-CD1 4.21Å; R168-L436 PolarHBondContact NH1-O 3Å; I317-L436 HydrophobicContact CD1-CD1 3.34Å; I363-L436 HydrophobicContact CD1-CD1 4.13Å; I363-L436 HydrophobicContact CD1-CD2 3.53Å; I363-L436 HydrophobicContact CD1-CG 4.48Å; L395-L436 HydrophobicContact CD2-CD2 3.99Å; I414-L436 HydrophobicContact CD1-CD1 3.73Å; D420-L436 PolarHBondContact O-N 3.17Å; L422-L436 HydrophobicContact CB-CD1 4.12Å; L422-L436 HydrophobicContact CB-CD2 4.06Å; L422-L436 HydrophobicContact CB-CG 4.05Å; L422-L436 HydrophobicContact CD2-CD2 4.06Å; L436-L451 HydrophobicContact CD2-CD2 4.04Å
437	S	91.3	Very high	93	Very high	24 Å²	24	37.2 Å²	37.2	17%	0.168	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-18.2	176.9	75	0	0	0	0	113.1	P153 R168 N435 L439	P153-S437 WeakPolarHBondContact O-CA 3.43Å; R168-S437 VanDerWaalsContact NH1-C 3.25Å; R168-S437 PolarHBondContact NH1-O 3.37Å; N435-S437 PolarHBondContact O-N 3.29Å; N435-S437 WeakPolarHBondContact OD1-CB 3.44Å; N435-S437 PolarHBondContact OD1-N 2.73Å; N435-S437 PolarHBondContact OD1-OG 3.15Å; S437-L439 PolarHBondContact O-N 2.93Å
438	S	92.2	Very high	93	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	22%	0.216	C	C	.	.			trans	-62.1	135.8	-175.5	-170	0	0	0	0	112.3	R168 N435 N440 V443	R168-S438 PolarHBondContact NH1-O 3.48Å; N435-S438 VanDerWaalsContact O-CB 3.29Å; N435-S438 WeakPolarHBondContact O-CB 3.37Å; N435-S438 PolarHBondContact O-N 2.97Å; N435-S438 PolarHBondContact OD1-N 3.05Å; S438-N440 PolarHBondContact OG-N 3.47Å; S438-V443 WeakPolarHBondContact OG-CG2 3.43Å
439	L	91.3	Very high	93.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.208	C	C	.	.			trans	-125.7	9.8	172.3	-68.3	173.9	0	0	0	111.7	Y161 N164 F165 R168 S437 Y444	Y161-L439 HydrophobicContact CD1-CB 4.34Å; Y161-L439 WeakPolarHBondContact CD1-O 2.96Å; Y161-L439 WeakPolarHBondContact CE1-O 3.19Å; Y161-L439 HydrophobicContact CG-CB 4Å; N164-L439 HydrophobicContact CB-CB 4.22Å; N164-L439 HydrophobicContact CB-CD2 4.09Å; N164-L439 PolarHBondContact ND2-O 3.38Å; F165-L439 HydrophobicContact CB-CD1 3.67Å; F165-L439 HydrophobicContact CD2-CD1 4.11Å; F165-L439 HydrophobicContact CG-CD1 4.4Å; R168-L439 HydrophobicContact CB-CD2 4.34Å; R168-L439 VanDerWaalsContact CZ-CD2 3.45Å; S437-L439 PolarHBondContact O-N 2.93Å; L439-Y444 HydrophobicContact CD2-CD1 4.08Å; L439-Y444 HydrophobicContact CD2-CE1 4.07Å
440	N	91.9	Very high	93.4	Very high	57 Å²	57	40.7 Å²	40.7	31%	0.305	21%	0.209	S	C	.	.			trans	-68.1	129.9	179.9	-176.9	-38.3	0	0	0	109.9	S438 L442 V443 Y444	S438-N440 PolarHBondContact OG-N 3.47Å; N440-L442 PolarHBondContact O-N 3.04Å; N440-L442 WeakPolarHBondContact OD1-CB 3.32Å; N440-L442 WeakPolarHBondContact OD1-CG 3.39Å; N440-L442 PolarHBondContact OD1-N 3.43Å; N440-V443 HydrophobicContact CB-CG2 4.35Å; N440-V443 PolarHBondContact O-N 3.28Å; N440-Y444 PolarHBondContact O-N 2.88Å
441	D	91.8	Very high	93.5	Very high	110 Å²	110	38.4 Å²	38.4	59%	0.588	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20	-177.1	-59.3	-49.4	0	0	0	114.1	N164 V443 Y444	N164-D441 PolarHBondContact ND2-OD1 3.19Å; D441-V443 VanDerWaalsContact C-N 3.3Å; D441-V443 PolarHBondContact O-N 3.31Å; D441-Y444 WeakPolarHBondContact CA-O 3.45Å
442	L	91.3	Very high	93.6	Very high	150 Å²	150	39 Å²	39	79%	0.785	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.4	174.4	-65.3	175.3	0	0	0	113.1	N440	N440-L442 PolarHBondContact O-N 3.04Å; N440-L442 WeakPolarHBondContact OD1-CB 3.32Å; N440-L442 WeakPolarHBondContact OD1-CG 3.39Å; N440-L442 PolarHBondContact OD1-N 3.43Å
443	V	93.6	Very high	93.7	Very high	27 Å²	27	40 Å²	40	16%	0.164	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-21.6	-177.7	-62.6	0	0	0	0	113	S438 N440 D441 L451 A452	S438-V443 WeakPolarHBondContact OG-CG2 3.43Å; N440-V443 HydrophobicContact CB-CG2 4.35Å; N440-V443 PolarHBondContact O-N 3.28Å; D441-V443 VanDerWaalsContact C-N 3.3Å; D441-V443 PolarHBondContact O-N 3.31Å; V443-L451 HydrophobicContact CB-CD1 4.45Å; V443-L451 HydrophobicContact CG2-CD1 4.21Å; V443-L451 CarbonylContact O-C 3.59Å; V443-L451 WeakPolarHBondContact O-CA 3.43Å; V443-A452 HydrophobicContact CB-CB 4.39Å; V443-A452 PolarHBondContact O-N 2.84Å
444	Y	95.4	Very high	93.6	Very high	3 Å²	3	42 Å²	42	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.4	-179	177.1	-105.1	0	0	0	111	N164 R168 L393 L439 N440 D441 N449 H450	N164-Y444 HydrophobicContact CB-CD1 3.77Å; N164-Y444 HydrophobicContact CB-CE1 3.58Å; R168-Y444 HydrophobicContact CB-CE2 4.47Å; R168-Y444 PolarHBondContact N-OH 3.34Å; L393-Y444 HydrophobicContact CD1-CD2 4.21Å; L393-Y444 HydrophobicContact CD1-CE2 3.7Å; L439-Y444 HydrophobicContact CD2-CD1 4.08Å; L439-Y444 HydrophobicContact CD2-CE1 4.07Å; N440-Y444 PolarHBondContact O-N 2.88Å; D441-Y444 WeakPolarHBondContact CA-O 3.45Å; Y444-N449 PolarHBondContact OH-OD1 3.04Å; Y444-H450 CarbonylContact C-O 3.53Å; Y444-H450 WeakPolarHBondContact CA-O 3.36Å; Y444-H450 VanDerWaalsContact CD2-O 3.23Å; Y444-H450 WeakPolarHBondContact CD2-O 3.33Å
445	S	94.2	Very high	93.3	Very high	33 Å²	33	44 Å²	44	23%	0.231	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.5	173	-173.3	0	0	0	0	110.8	Q447 Y448 N449 H450	S445-Q447 VanDerWaalsContact C-N 3.32Å; S445-Q447 PolarHBondContact O-N 3.26Å; S445-Y448 PolarHBondContact O-N 3.41Å; S445-Y448 WeakPolarHBondContact OG-CD2 3.47Å; S445-N449 WeakPolarHBondContact O-CA 3.4Å; S445-N449 PolarHBondContact O-N 3.47Å; S445-H450 PolarHBondContact N-O 3.41Å; S445-H450 PolarHBondContact O-N 3.46Å; S445-H450 VanDerWaalsContact O-N 3.07Å
446	S	92.2	Very high	93.2	Very high	40 Å²	40	44.3 Å²	44.3	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-29.1	178.5	54.9	0	0	0	0	113.7	N164 Y448	N164-S446 VanDerWaalsContact OD1-CB 3.26Å; N164-S446 WeakPolarHBondContact OD1-CB 3.24Å; N164-S446 PolarHBondContact OD1-OG 2.95Å; N164-S446 VanDerWaalsContact OD1-OG 3.12Å; S446-Y448 VanDerWaalsContact C-N 3.28Å; S446-Y448 PolarHBondContact O-N 2.99Å
447	Q	91.3	Very high	93.1	Very high	139 Å²	139	44.4 Å²	44.4	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.2	177.3	-177.8	177.2	6	0	0	112.2	S445	S445-Q447 VanDerWaalsContact C-N 3.32Å; S445-Q447 PolarHBondContact O-N 3.26Å
448	Y	91.6	Very high	93.1	Very high	105 Å²	105	48.7 Å²	48.7	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	0.1	-173.9	-59	-75.4	0	0	0	113.4	V399 S445 S446 H450	V399-Y448 HydrophobicContact CG1-CD1 3.9Å; V399-Y448 HydrophobicContact CG1-CD2 3.45Å; V399-Y448 VanDerWaalsContact CG1-CD2 3.45Å; V399-Y448 HydrophobicContact CG1-CE1 4.43Å; V399-Y448 HydrophobicContact CG1-CE2 4.03Å; V399-Y448 HydrophobicContact CG1-CG 3.36Å; S445-Y448 PolarHBondContact O-N 3.41Å; S445-Y448 WeakPolarHBondContact OG-CD2 3.47Å; S446-Y448 VanDerWaalsContact C-N 3.28Å; S446-Y448 PolarHBondContact O-N 2.99Å; Y448-H450 PolarHBondContact O-N 3.14Å
449	N	93.7	Very high	92.9	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.07	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	54.1	-166.9	-74.9	-38.2	0	0	0	110.9	N390 L393 T394 Y444 S445	N390-N449 PolarHBondContact O-ND2 3Å; L393-N449 CarbonylContact C-O 3.59Å; L393-N449 WeakPolarHBondContact CA-O 3.2Å; L393-N449 WeakPolarHBondContact CD1-O 3.47Å; T394-N449 PolarHBondContact N-O 3.32Å; Y444-N449 PolarHBondContact OH-OD1 3.04Å; S445-N449 WeakPolarHBondContact O-CA 3.4Å; S445-N449 PolarHBondContact O-N 3.47Å
450	H	95.8	Very high	92.6	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	-175.8	175	-89.3	0	0	0	110.8	T394 S396 V399 Y444 S445 Y448	T394-H450 CarbonylContact O-C 3.51Å; T394-H450 VanDerWaalsContact O-CA 3.26Å; T394-H450 WeakPolarHBondContact O-CA 3.18Å; T394-H450 PolarHBondContact O-CD2 2.8Å; S396-H450 PolarHBondContact O-CE1 3.18Å; S396-H450 PolarHBondContact O-NE2 3.27Å; S396-H450 PolarHBondContact OG-CD2 2.94Å; S396-H450 PolarHBondContact OG-NE2 3.29Å; V399-H450 HydrophobicContact CG1-CB 4.46Å; V399-H450 HydrophobicContact CG2-CB 4.07Å; V399-H450 WeakPolarHBondContact CG2-ND1 3.27Å; Y444-H450 CarbonylContact C-O 3.53Å; Y444-H450 WeakPolarHBondContact CA-O 3.36Å; Y444-H450 VanDerWaalsContact CD2-O 3.23Å; Y444-H450 WeakPolarHBondContact CD2-O 3.33Å; S445-H450 PolarHBondContact N-O 3.41Å; S445-H450 PolarHBondContact O-N 3.46Å; S445-H450 VanDerWaalsContact O-N 3.07Å; Y448-H450 PolarHBondContact O-N 3.14Å
451	L	96.7	Very high	92.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	174.2	-177.6	69.7	0	0	0	109.8	L393 T394 L395 S396 Y434 L436 V443	L393-L451 HydrophobicContact CD1-CB 4.27Å; L393-L451 HydrophobicContact CD2-CB 4.38Å; L393-L451 HydrophobicContact CD2-CD2 4.36Å; L393-L451 HydrophobicContact CG-CB 4.4Å; T394-L451 PolarHBondContact O-N 3.25Å; L395-L451 WeakPolarHBondContact CA-O 3.49Å; L395-L451 HydrophobicContact CD1-CB 4.06Å; L395-L451 HydrophobicContact CD1-CD2 4.4Å; L395-L451 HydrophobicContact CD2-CD2 4.48Å; L395-L451 HydrophobicContact CG-CB 4.13Å; L395-L451 HydrophobicContact CG-CD2 4.27Å; S396-L451 PolarHBondContact N-O 2.87Å; Y434-L451 HydrophobicContact CD1-CD2 4.35Å; Y434-L451 HydrophobicContact CD1-CG 4.28Å; Y434-L451 WeakPolarHBondContact CE1-O 3.48Å; L436-L451 HydrophobicContact CD2-CD2 4.04Å; V443-L451 HydrophobicContact CB-CD1 4.45Å; V443-L451 HydrophobicContact CG2-CD1 4.21Å; V443-L451 CarbonylContact O-C 3.59Å; V443-L451 WeakPolarHBondContact O-CA 3.43Å
452	A	96.5	Very high	92	Very high	17 Å²	17	43.9 Å²	43.9	14%	0.14	23%	0.23	C	C	.	.			trans	-80.1	153.2	170.8	0	0	0	0	0	111.3	S396 V443	S396-A452 WeakPolarHBondContact O-CA 3.34Å; V443-A452 HydrophobicContact CB-CB 4.39Å; V443-A452 PolarHBondContact O-N 2.84Å
453	P	95.4	Very high	91.7	Very high	22 Å²	22	37.7 Å²	37.7	14%	0.143	20%	0.199	C	C	.	.			trans	-66.2	139	174.3	27.5	-31.5	0	0	0	110.1	P397 Y433 Y434 K455 M456	P397-P453 HydrophobicContact CG-CG 4.31Å; Y433-P453 CarbonylContact O-C 3.52Å; Y433-P453 WeakPolarHBondContact O-CA 3.27Å; Y434-P453 HydrophobicContact CD1-CB 4.19Å; Y434-P453 HydrophobicContact CD2-CB 4.47Å; Y434-P453 HydrophobicContact CE1-CB 3.84Å; Y434-P453 HydrophobicContact CE1-CG 4.2Å; Y434-P453 VanDerWaalsContact CE1-N 3.28Å; Y434-P453 HydrophobicContact CE2-CB 4.13Å; Y434-P453 HydrophobicContact CG-CB 4.5Å; P453-K455 VanDerWaalsContact C-N 3.29Å; P453-M456 HydrophobicContact CG-CE 3.98Å
454	V	92.8	Very high	91.5	Very high	76 Å²	76	36.4 Å²	36.4	46%	0.461	19%	0.191	S	C	.	.	S	Bend	trans	-67.5	-36.8	171.8	175.5	0	0	0	0	110.3	Y433 N435	Y433-V454 HydrophobicContact CD1-CB 3.83Å; Y433-V454 HydrophobicContact CD1-CG1 4.12Å; Y433-V454 HydrophobicContact CE1-CB 4.02Å; Y433-V454 HydrophobicContact CE1-CG1 4.07Å; Y433-V454 HydrophobicContact CE1-CG2 4.42Å; Y433-V454 PolarHBondContact O-N 2.9Å; N435-V454 HydrophobicContact CB-CG2 3.71Å
455	K	91.6	Very high	90.9	Very high	40 Å²	40	37.6 Å²	37.6	17%	0.174	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.3	177.4	-174.8	171.2	179.2	171.9	0	109.7	Y433 P453 S457 L491 D493 C496	Y433-K455 HydrophobicContact CD1-CB 4.48Å; Y433-K455 PolarHBondContact N-O 2.82Å; P453-K455 VanDerWaalsContact C-N 3.29Å; K455-S457 WeakPolarHBondContact CE-OG 3.08Å; K455-L491 PolarHBondContact NZ-O 2.93Å; K455-D493 PolarHBondContact NZ-O 3.22Å; K455-C496 VanDerWaalsContact CE-O 3.29Å; K455-C496 WeakPolarHBondContact CE-O 3.44Å; K455-C496 PolarHBondContact NZ-O 3.19Å
456	M	91.7	Very high	90.4	Very high	41 Å²	41	36.5 Å²	36.5	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.5	174.1	-173	68	92.3	0	0	108.3	P397 W405 V406 Y426 Y430 G432 P453	P397-M456 HydrophobicContact CG-CE 3.44Å; P397-M456 VanDerWaalsContact CG-CE 3.44Å; W405-M456 HydrophobicContact CH2-CG 4.43Å; V406-M456 HydrophobicContact CG1-CE 4.12Å; Y426-M456 HydrophobicContact CD2-CE 4.46Å; Y426-M456 HydrophobicContact CD2-SD 4.38Å; Y426-M456 HydrophobicContact CE2-CE 3.77Å; Y426-M456 HydrophobicContact CE2-SD 4.05Å; Y430-M456 HydrophobicContact CD1-CG 3.78Å; Y430-M456 HydrophobicContact CD1-SD 4.31Å; G432-M456 VanDerWaalsContact CA-SD 3.57Å; P453-M456 HydrophobicContact CG-CE 3.98Å
457	S	92	Very high	90.2	Very high	3 Å²	3	35 Å²	35	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.6	-176.1	-63.8	0	0	0	0	110.9	Y430 V431 K455 L459 C496	Y430-S457 CarbonylContact C-O 3.34Å; Y430-S457 WeakPolarHBondContact CA-O 3.09Å; V431-S457 PolarHBondContact N-O 3.33Å; V431-S457 PolarHBondContact O-N 2.69Å; K455-S457 WeakPolarHBondContact CE-OG 3.08Å; S457-L459 PolarHBondContact O-N 2.82Å; S457-C496 WeakPolarHBondContact CB-O 3.33Å; S457-C496 PolarHBondContact OG-O 2.57Å
458	R	92.1	Very high	89.8	Confident	115 Å²	115	28.4 Å²	28.4	43%	0.434	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	85	175.3	-165.3	178.5	-177.4	-171.7	-2.5	110.1	T428 Y430 T460 F497 T498 S499	T428-R458 PolarHBondContact O-NE 2.79Å; Y430-R458 HydrophobicContact CD1-CB 3.81Å; Y430-R458 HydrophobicContact CD1-CG 4.37Å; Y430-R458 HydrophobicContact CD2-CB 4.36Å; Y430-R458 HydrophobicContact CD2-CG 4.03Å; Y430-R458 HydrophobicContact CE1-CB 3.6Å; Y430-R458 HydrophobicContact CE1-CG 4.22Å; Y430-R458 HydrophobicContact CE2-CB 4.2Å; Y430-R458 HydrophobicContact CE2-CG 3.89Å; Y430-R458 HydrophobicContact CG-CB 4.23Å; Y430-R458 HydrophobicContact CG-CG 4.32Å; R458-T460 VanDerWaalsContact C-N 3.34Å; R458-T460 WeakPolarHBondContact CG-O 3.28Å; R458-F497 CarbonylContact C-O 3.59Å; R458-F497 PolarHBondContact N-O 2.73Å; R458-T498 CarbonylContact O-C 3.55Å; R458-T498 VanDerWaalsContact O-CA 3.28Å; R458-T498 WeakPolarHBondContact O-CA 3.46Å; R458-S499 PolarHBondContact O-N 3.39Å
459	L	87.7	Confident	89.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.			trans	-82	-15	-172.9	-56.5	-173.7	0	0	0	112.9	G429 V431 S457 V479 W489 L491 S499	G429-L459 PolarHBondContact O-N 2.83Å; G429-L459 VanDerWaalsContact O-N 3.08Å; V431-L459 HydrophobicContact CB-CD1 3.98Å; V431-L459 HydrophobicContact CB-CG 4.35Å; V431-L459 HydrophobicContact CG2-CB 4.43Å; V431-L459 HydrophobicContact CG2-CD1 3.93Å; V431-L459 HydrophobicContact CG2-CG 4.27Å; S457-L459 PolarHBondContact O-N 2.82Å; L459-V479 HydrophobicContact CD1-CG2 3.82Å; L459-W489 HydrophobicContact CB-CD2 4.38Å; L459-W489 HydrophobicContact CB-CZ2 4.18Å; L459-W489 HydrophobicContact CD1-CB 4.28Å; L459-W489 HydrophobicContact CD1-CD2 4.1Å; L459-W489 HydrophobicContact CD1-CG 3.98Å; L459-W489 HydrophobicContact CD2-CG 4.13Å; L459-W489 WeakPolarHBondContact O-CZ2 3.34Å; L459-L491 HydrophobicContact CD1-CD2 4.35Å; L459-S499 WeakPolarHBondContact O-CA 3.41Å; L459-S499 WeakPolarHBondContact O-CB 3.41Å
460	T	85.8	Confident	88.3	Confident	6 Å²	6	24.3 Å²	24.3	4%	0.037	13%	0.133	C	C	.	.			trans	-142.6	161.5	177.8	65.2	0	0	0	0	110.7	G429 R458 S462 I464 V479 A481	G429-T460 WeakPolarHBondContact CA-O 3.05Å; G429-T460 WeakPolarHBondContact CA-OG1 3.36Å; G429-T460 PolarHBondContact O-N 2.76Å; G429-T460 PolarHBondContact O-OG1 3.33Å; R458-T460 VanDerWaalsContact C-N 3.34Å; R458-T460 WeakPolarHBondContact CG-O 3.28Å; T460-S462 PolarHBondContact OG1-O 2.9Å; T460-I464 HydrophobicContact CG2-CD1 3.78Å; T460-I464 WeakPolarHBondContact OG1-CD1 3.42Å; T460-V479 HydrophobicContact CG2-CG1 4.25Å; T460-A481 HydrophobicContact CG2-CB 3.63Å
461	S	85.1	Confident	86.8	Confident	75 Å²	75	24 Å²	24	52%	0.524	13%	0.132	S	C	.	.	S	Bend	trans	-82.1	-20.7	172.2	37.6	0	0	0	0	113.1	E483	S461-E483 PolarHBondContact OG-OE2 3.31Å; S461-E483 VanDerWaalsContact OG-OE2 3.06Å
462	S	84.5	Confident	85.2	Confident	8 Å²	8	27.6 Å²	27.6	6%	0.056	15%	0.151	C	C	.	.	S	Bend	trans	-118.6	162.2	-172.4	45	0	0	0	0	112.3	G429 T460 I464 A481 E483	G429-S462 WeakPolarHBondContact CA-O 2.88Å; T460-S462 PolarHBondContact OG1-O 2.9Å; S462-I464 PolarHBondContact O-N 3.06Å; S462-A481 WeakPolarHBondContact OG-CB 3.29Å; S462-E483 VanDerWaalsContact CB-CD 3.5Å; S462-E483 WeakPolarHBondContact CB-OE2 3.23Å; S462-E483 WeakPolarHBondContact OG-CB 3.49Å; S462-E483 VanDerWaalsContact OG-CD 3.31Å; S462-E483 WeakPolarHBondContact OG-CG 3.3Å; S462-E483 PolarHBondContact OG-N 2.98Å; S462-E483 PolarHBondContact OG-OE2 3.26Å
463	P	86.6	Confident	83.7	Confident	20 Å²	20	29.4 Å²	29.4	13%	0.13	16%	0.158	C	C	.	.			trans	-48.1	135.7	-179.1	-26.3	28.5	0	0	0	113.2	Y268 T427 A481 L482	Y268-P463 HydrophobicContact CD1-CB 3.86Å; Y268-P463 HydrophobicContact CD1-CG 4.35Å; Y268-P463 HydrophobicContact CD2-CB 4.37Å; Y268-P463 HydrophobicContact CD2-CG 4.41Å; Y268-P463 HydrophobicContact CE1-CB 4.36Å; Y268-P463 HydrophobicContact CG-CB 3.84Å; Y268-P463 HydrophobicContact CG-CG 3.88Å; T427-P463 WeakPolarHBondContact O-CA 3.37Å; T427-P463 WeakPolarHBondContact O-CB 3.39Å; T427-P463 WeakPolarHBondContact O-CD 3.05Å; T427-P463 WeakPolarHBondContact O-CG 2.95Å; P463-A481 CarbonylContact O-C 3.58Å; P463-A481 VanDerWaalsContact O-CA 3.31Å; P463-A481 WeakPolarHBondContact O-CA 3.48Å; P463-L482 HydrophobicContact CB-CB 4.12Å; P463-L482 HydrophobicContact CB-CD2 4.48Å; P463-L482 HydrophobicContact CG-CB 4.23Å; P463-L482 HydrophobicContact CG-CD2 3.92Å; P463-L482 PolarHBondContact O-N 3.43Å
464	I	89.2	Confident	82.5	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.7	173	-52.3	-55.6	0	0	0	108.8	T410 Y426 V431 T460 S462 L467 V479 Q480	T410-I464 WeakPolarHBondContact CB-O 3.32Å; T410-I464 PolarHBondContact OG1-O 3.37Å; Y426-I464 PolarHBondContact O-N 3.13Å; V431-I464 HydrophobicContact CG2-CD1 4.14Å; V431-I464 HydrophobicContact CG2-CG1 4.03Å; T460-I464 HydrophobicContact CG2-CD1 3.78Å; T460-I464 WeakPolarHBondContact OG1-CD1 3.42Å; S462-I464 PolarHBondContact O-N 3.06Å; I464-L467 HydrophobicContact CG2-CD2 3.79Å; I464-L467 HydrophobicContact CG2-CG 3.91Å; I464-V479 HydrophobicContact CD1-CG1 3.58Å; I464-V479 HydrophobicContact CG1-CG1 4.46Å; I464-V479 HydrophobicContact CG2-CG1 4.02Å; I464-Q480 WeakPolarHBondContact CA-O 3.09Å
465	T	82.9	Confident	81.5	Confident	27 Å²	27	30.9 Å²	30.9	17%	0.166	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-25.7	179.2	58.5	0	0	0	0	112.9	Q480 L482	T465-Q480 PolarHBondContact N-O 2.89Å; T465-Q480 PolarHBondContact OG1-O 2.93Å; T465-L482 HydrophobicContact CG2-CB 4Å; T465-L482 HydrophobicContact CG2-CD1 4.12Å
466	S	83.2	Confident	80.7	Confident	11 Å²	11	29.5 Å²	29.5	8%	0.077	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	144.9	-179.6	-172.1	0	0	0	0	111.2	Q480 G517	S466-Q480 PolarHBondContact N-O 3.28Å; S466-Q480 PolarHBondContact O-N 2.64Å; S466-G517 PolarHBondContact OG-N 3.48Å; S466-G517 PolarHBondContact OG-O 3.46Å
467	L	88.3	Confident	80.3	Confident	9 Å²	9	27.5 Å²	27.5	5%	0.047	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.9	176.6	-69.8	-179.6	0	0	0	109	H413 F423 G425 V431 I464 L477 Y478 V479	H413-L467 HydrophobicContact CB-CB 3.75Å; H413-L467 PolarHBondContact ND1-O 3.12Å; F423-L467 HydrophobicContact CB-CD1 4.06Å; G425-L467 VanDerWaalsContact N-CD1 3.25Å; V431-L467 HydrophobicContact CG1-CD2 4.48Å; V431-L467 HydrophobicContact CG2-CD2 4.14Å; I464-L467 HydrophobicContact CG2-CD2 3.79Å; I464-L467 HydrophobicContact CG2-CG 3.91Å; L467-L477 HydrophobicContact CD2-CD2 4.11Å; L467-L477 HydrophobicContact CD2-CG 4.46Å; L467-Y478 WeakPolarHBondContact CA-O 3.37Å; L467-V479 HydrophobicContact CD2-CB 4.01Å; L467-V479 HydrophobicContact CD2-CG1 3.81Å; L467-V479 HydrophobicContact CD2-CG2 3.67Å
468	S	82.7	Confident	79.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	114.8	169	-155.4	0	0	0	0	112.4	R415 Y478 G517 W519	R415-S468 PolarHBondContact NH2-OG 3.19Å; S468-Y478 PolarHBondContact N-O 2.96Å; S468-Y478 WeakPolarHBondContact O-CB 2.99Å; S468-Y478 PolarHBondContact O-N 2.84Å; S468-G517 WeakPolarHBondContact CB-O 3.16Å; S468-W519 PolarHBondContact OG-N 3.49Å
469	L	80.7	Confident	79.4	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	145.7	173.5	-172.3	62.1	0	0	0	109.8	H413 R415 F418 F423 G474 L477	H413-L469 VanDerWaalsContact CD2-CB 3.49Å; H413-L469 WeakPolarHBondContact CD2-CB 3.23Å; H413-L469 PolarHBondContact CD2-N 3.22Å; H413-L469 PolarHBondContact NE2-N 2.99Å; H413-L469 VanDerWaalsContact NE2-N 3.19Å; R415-L469 HydrophobicContact CB-CD2 4.29Å; R415-L469 HydrophobicContact CG-CB 4.28Å; R415-L469 HydrophobicContact CG-CD2 4.38Å; R415-L469 VanDerWaalsContact CZ-O 3.25Å; R415-L469 PolarHBondContact NE-O 3.09Å; R415-L469 PolarHBondContact NH2-O 3.09Å; F418-L469 HydrophobicContact CB-CD2 4.04Å; F418-L469 HydrophobicContact CD2-CD2 3.69Å; F418-L469 HydrophobicContact CD2-CG 4.49Å; F418-L469 HydrophobicContact CG-CD2 4.2Å; F423-L469 HydrophobicContact CD2-CB 4.4Å; F423-L469 HydrophobicContact CD2-CD1 4.12Å; F423-L469 HydrophobicContact CD2-CD2 4.4Å; F423-L469 HydrophobicContact CE2-CB 4.37Å; F423-L469 HydrophobicContact CE2-CD1 3.37Å; F423-L469 HydrophobicContact CE2-CD2 3.8Å; F423-L469 HydrophobicContact CE2-CG 4.03Å; F423-L469 HydrophobicContact CZ-CD1 3.94Å; L469-G474 WeakPolarHBondContact CD1-O 3.49Å; L469-L477 HydrophobicContact CB-CD1 4.4Å; L469-L477 HydrophobicContact CD1-CD1 4.5Å
470	H	73.5	Confident	79.1	Confident	31 Å²	31	22.4 Å²	22.4	14%	0.144	12%	0.119	C	C	.	.			trans	-67	132.9	171.2	-170.6	-36.5	0	0	0	110.3	L472 N473 M476 W519	H470-L472 VanDerWaalsContact C-N 3.35Å; H470-L472 PolarHBondContact ND1-N 2.87Å; H470-L472 PolarHBondContact O-N 2.98Å; H470-N473 HydrophobicContact CB-CB 4.16Å; H470-N473 WeakPolarHBondContact CB-O 3.49Å; H470-M476 HydrophobicContact CB-CB 3.89Å; H470-M476 WeakPolarHBondContact CB-O 3.3Å; H470-M476 PolarHBondContact N-O 2.91Å; H470-W519 HydrophobicContact CB-CD2 3.85Å; H470-W519 HydrophobicContact CB-CE3 3.45Å; H470-W519 VanDerWaalsContact CB-CE3 3.45Å; H470-W519 HydrophobicContact CB-CH2 3.73Å; H470-W519 HydrophobicContact CB-CZ2 4.1Å; H470-W519 HydrophobicContact CB-CZ3 3.38Å; H470-W519 AromaticContact CD2-CE2 3.56Å; H470-W519 AromaticContact CD2-CH2 3.1Å; H470-W519 WeakPolarHBondContact CD2-CH2 3.29Å; H470-W519 AromaticContact CD2-CZ2 2.98Å; H470-W519 WeakPolarHBondContact CD2-CZ2 3.06Å; H470-W519 AromaticContact CD2-CZ3 3.77Å; H470-W519 AromaticContact CG-CD2 3.89Å; H470-W519 AromaticContact CG-CE2 3.66Å; H470-W519 AromaticContact CG-CE3 3.93Å; H470-W519 AromaticContact CG-CH2 3.6Å; H470-W519 AromaticContact CG-CZ2 3.54Å; H470-W519 AromaticContact CG-CZ3 3.79Å; H470-W519 AromaticContact NE2-CE2 3.92Å; H470-W519 AromaticContact NE2-CZ2 3.47Å; H470-W519 WeakPolarHBondContact NE2-CZ2 3.29Å
471	P	64.4	Low	78.9	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-63.1	-32.9	-179	24.2	-38	0	0	0	115.1	E417 F418 I520	E417-P471 WeakPolarHBondContact CG-O 3.36Å; F418-P471 WeakPolarHBondContact CE2-O 3.29Å; P471-I520 WeakPolarHBondContact CG-O 3.33Å
472	L	63.3	Low	78.6	Confident	77 Å²	77	22.5 Å²	22.5	40%	0.403	11%	0.113	S	C	.	.	S	Bend	trans	-101.7	-16.8	-178	-53.1	176.9	0	0	0	113.2	L109 H470	L109-L472 HydrophobicContact CB-CD1 4.29Å; L109-L472 HydrophobicContact CD2-CB 4.34Å; L109-L472 HydrophobicContact CD2-CD1 3.52Å; H470-L472 VanDerWaalsContact C-N 3.35Å; H470-L472 PolarHBondContact ND1-N 2.87Å; H470-L472 PolarHBondContact O-N 2.98Å
473	N	63.7	Low	77.8	Confident	55 Å²	55	27.5 Å²	27.5	29%	0.294	14%	0.135	S	C	.	.			trans	-130.3	93.4	-177.1	-175.9	-7.6	0	0	0	110.7	H470 R475 M476	H470-N473 HydrophobicContact CB-CB 4.16Å; H470-N473 WeakPolarHBondContact CB-O 3.49Å; N473-R475 PolarHBondContact O-N 3.03Å; N473-R475 VanDerWaalsContact OD1-CB 3.3Å; N473-R475 WeakPolarHBondContact OD1-CB 3.09Å; N473-R475 PolarHBondContact OD1-N 3.48Å; N473-R475 VanDerWaalsContact OD1-N 3.12Å; N473-M476 HydrophobicContact CB-CG 4.42Å; N473-M476 VanDerWaalsContact ND2-CG 3.32Å; N473-M476 WeakPolarHBondContact ND2-CG 3.26Å; N473-M476 PolarHBondContact O-N 2.89Å; N473-M476 VanDerWaalsContact O-N 3.09Å
474	G	69.8	Low	76.8	Confident	4 Å²	4	31.1 Å²	31.1	4%	0.041	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	3.8	-178.6	0	0	0	0	0	116	F418 R421 L469	F418-G474 VanDerWaalsContact CE2-CA 3.47Å; F418-G474 VanDerWaalsContact CE2-N 3.27Å; R421-G474 WeakPolarHBondContact CD-O 3.16Å; R421-G474 PolarHBondContact NH1-O 2.95Å; L469-G474 WeakPolarHBondContact CD1-O 3.49Å
475	R	71.9	Confident	75.7	Confident	125 Å²	125	32.1 Å²	32.1	47%	0.472	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-27.7	176	-54	173	167.7	173.3	-3.1	113.4	N473 L491 D492	N473-R475 PolarHBondContact O-N 3.03Å; N473-R475 VanDerWaalsContact OD1-CB 3.3Å; N473-R475 WeakPolarHBondContact OD1-CB 3.09Å; N473-R475 PolarHBondContact OD1-N 3.48Å; N473-R475 VanDerWaalsContact OD1-N 3.12Å; R475-L491 WeakPolarHBondContact O-CB 3.43Å; R475-L491 PolarHBondContact O-N 3.33Å; R475-D492 WeakPolarHBondContact CD-OD2 3.41Å; R475-D492 HydrophobicContact CG-CB 4.35Å; R475-D492 WeakPolarHBondContact CG-OD2 3.23Å; R475-D492 IonicContact CZ-OD2 2.65Å; R475-D492 VanDerWaalsContact CZ-OD2 3.28Å; R475-D492 IonicContact NE-OD2 2.7Å; R475-D492 PolarHBondContact NE-OD2 3.39Å; R475-D492 IonicContact NH2-OD2 3.95Å
476	M	76.5	Confident	75.3	Confident	11 Å²	11	30.9 Å²	30.9	5%	0.054	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.1	-174	-70.8	-72.5	179.4	0	0	110	C15 H470 N473 V488 W489 D490 W519	C15-M476 HydrophobicContact CB-CE 4.22Å; H470-M476 HydrophobicContact CB-CB 3.89Å; H470-M476 WeakPolarHBondContact CB-O 3.3Å; H470-M476 PolarHBondContact N-O 2.91Å; N473-M476 HydrophobicContact CB-CG 4.42Å; N473-M476 VanDerWaalsContact ND2-CG 3.32Å; N473-M476 WeakPolarHBondContact ND2-CG 3.26Å; N473-M476 PolarHBondContact O-N 2.89Å; N473-M476 VanDerWaalsContact O-N 3.09Å; M476-V488 HydrophobicContact CB-CG1 4.47Å; M476-V488 HydrophobicContact SD-CG1 4.17Å; M476-W489 WeakPolarHBondContact CA-O 3.5Å; M476-D490 HydrophobicContact CE-CB 3.85Å; M476-D490 HydrophobicContact SD-CB 3.92Å; M476-W519 HydrophobicContact CB-CH2 4.2Å; M476-W519 HydrophobicContact CB-CZ3 4.08Å
477	L	82.9	Confident	74.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.9	-177.8	-176.4	68.4	0	0	0	110.5	F423 V431 L467 L469 V479 V488 W489 L491	F423-L477 HydrophobicContact CB-CD1 4.3Å; F423-L477 HydrophobicContact CB-CD2 4.35Å; F423-L477 HydrophobicContact CD1-CD1 4.49Å; F423-L477 HydrophobicContact CD1-CD2 3.84Å; F423-L477 HydrophobicContact CD2-CD1 4.09Å; F423-L477 HydrophobicContact CE1-CD2 4.44Å; F423-L477 HydrophobicContact CG-CD1 4Å; F423-L477 HydrophobicContact CG-CD2 4.06Å; V431-L477 HydrophobicContact CG1-CD2 3.7Å; L467-L477 HydrophobicContact CD2-CD2 4.11Å; L467-L477 HydrophobicContact CD2-CG 4.46Å; L469-L477 HydrophobicContact CB-CD1 4.4Å; L469-L477 HydrophobicContact CD1-CD1 4.5Å; L477-V479 HydrophobicContact CD2-CG2 3.8Å; L477-V479 HydrophobicContact CG-CG2 3.86Å; L477-V488 WeakPolarHBondContact O-CA 3.38Å; L477-W489 PolarHBondContact N-O 3.03Å; L477-W489 PolarHBondContact O-N 3.05Å; L477-L491 HydrophobicContact CB-CD1 3.78Å; L477-L491 HydrophobicContact CB-CG 4.1Å; L477-L491 HydrophobicContact CD2-CD1 3.87Å; L477-L491 HydrophobicContact CD2-CD2 4.48Å; L477-L491 HydrophobicContact CG-CD1 4.43Å
478	Y	81.8	Confident	74	Confident	3 Å²	3	30.3 Å²	30.3	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.3	162.9	172.4	-104.9	0	0	0	110	L467 S468 Q480 G487 V488 W506 F525	L467-Y478 WeakPolarHBondContact CA-O 3.37Å; S468-Y478 PolarHBondContact N-O 2.96Å; S468-Y478 WeakPolarHBondContact O-CB 2.99Å; S468-Y478 PolarHBondContact O-N 2.84Å; Y478-Q480 HydrophobicContact CE1-CB 3.85Å; Y478-Q480 WeakPolarHBondContact OH-CB 3.37Å; Y478-Q480 WeakPolarHBondContact OH-CG 3.36Å; Y478-Q480 PolarHBondContact OH-OE1 2.83Å; Y478-G487 WeakPolarHBondContact CA-O 3.21Å; Y478-G487 WeakPolarHBondContact CD2-O 3.5Å; Y478-V488 HydrophobicContact CD2-CG2 4.46Å; Y478-W506 AromaticContact CD2-CZ2 3.84Å; Y478-W506 HydrophobicContact CD2-CZ2 3.84Å; Y478-W506 AromaticContact CE2-CE2 3.93Å; Y478-W506 AromaticContact CE2-CZ2 3.69Å; Y478-W506 HydrophobicContact CE2-CZ2 3.69Å; Y478-W506 AromaticContact CE2-NE1 3.55Å; Y478-F525 AromaticContact CD1-CE2 3.58Å; Y478-F525 HydrophobicContact CD1-CE2 3.58Å; Y478-F525 AromaticContact CD1-CZ 3.86Å; Y478-F525 HydrophobicContact CD1-CZ 3.86Å; Y478-F525 HydrophobicContact CD2-CD2 4.42Å; Y478-F525 HydrophobicContact CD2-CE1 4.24Å; Y478-F525 AromaticContact CD2-CE2 3.42Å; Y478-F525 HydrophobicContact CD2-CE2 3.42Å; Y478-F525 VanDerWaalsContact CD2-CE2 3.42Å; Y478-F525 AromaticContact CD2-CZ 3.35Å; Y478-F525 HydrophobicContact CD2-CZ 3.35Å; Y478-F525 AromaticContact CE1-CE2 3.85Å; Y478-F525 HydrophobicContact CE1-CE2 3.85Å; Y478-F525 AromaticContact CE1-CZ 3.66Å; Y478-F525 HydrophobicContact CE1-CZ 3.66Å; Y478-F525 AromaticContact CE2-CE1 3.89Å; Y478-F525 HydrophobicContact CE2-CE1 3.89Å; Y478-F525 AromaticContact CE2-CE2 3.71Å; Y478-F525 HydrophobicContact CE2-CE2 3.71Å; Y478-F525 AromaticContact CE2-CZ 3.11Å; Y478-F525 HydrophobicContact CE2-CZ 3.11Å; Y478-F525 HydrophobicContact CG-CD2 4.36Å; Y478-F525 AromaticContact CG-CE2 3.33Å; Y478-F525 HydrophobicContact CG-CE2 3.33Å; Y478-F525 AromaticContact CG-CZ 3.71Å; Y478-F525 HydrophobicContact CG-CZ 3.71Å; Y478-F525 AromaticContact CZ-CE2 3.9Å; Y478-F525 AromaticContact CZ-CZ 3.26Å
479	V	83.6	Confident	73.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.3	176.8	-174.9	0	0	0	0	109.5	V431 L459 T460 I464 L467 L477 G486 G487 W489	V431-V479 HydrophobicContact CG2-CG1 4.03Å; V431-V479 HydrophobicContact CG2-CG2 4.3Å; L459-V479 HydrophobicContact CD1-CG2 3.82Å; T460-V479 HydrophobicContact CG2-CG1 4.25Å; I464-V479 HydrophobicContact CD1-CG1 3.58Å; I464-V479 HydrophobicContact CG1-CG1 4.46Å; I464-V479 HydrophobicContact CG2-CG1 4.02Å; L467-V479 HydrophobicContact CD2-CB 4.01Å; L467-V479 HydrophobicContact CD2-CG1 3.81Å; L467-V479 HydrophobicContact CD2-CG2 3.67Å; L477-V479 HydrophobicContact CD2-CG2 3.8Å; L477-V479 HydrophobicContact CG-CG2 3.86Å; V479-G486 CarbonylContact O-C 3.41Å; V479-G486 VanDerWaalsContact O-CA 3.23Å; V479-G486 WeakPolarHBondContact O-CA 3.45Å; V479-G487 PolarHBondContact N-O 3.04Å; V479-G487 PolarHBondContact O-N 3.01Å; V479-W489 HydrophobicContact CB-CE3 3.79Å; V479-W489 HydrophobicContact CB-CH2 4.32Å; V479-W489 HydrophobicContact CB-CZ3 3.49Å; V479-W489 VanDerWaalsContact CB-CZ3 3.49Å; V479-W489 HydrophobicContact CG1-CZ3 4.44Å; V479-W489 HydrophobicContact CG2-CE3 3.76Å; V479-W489 HydrophobicContact CG2-CZ3 4.02Å
480	Q	80.8	Confident	73.4	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.1	174.3	-162.1	178.6	-8.9	0	0	110.9	I464 T465 S466 Y478 G514	I464-Q480 WeakPolarHBondContact CA-O 3.09Å; T465-Q480 PolarHBondContact N-O 2.89Å; T465-Q480 PolarHBondContact OG1-O 2.93Å; S466-Q480 PolarHBondContact N-O 3.28Å; S466-Q480 PolarHBondContact O-N 2.64Å; Y478-Q480 HydrophobicContact CE1-CB 3.85Å; Y478-Q480 WeakPolarHBondContact OH-CB 3.37Å; Y478-Q480 WeakPolarHBondContact OH-CG 3.36Å; Y478-Q480 PolarHBondContact OH-OE1 2.83Å; Q480-G514 PolarHBondContact NE2-O 3.04Å
481	A	82.4	Confident	73.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	164.6	175.2	0	0	0	0	0	112.4	T460 S462 P463 E483 R484 V485	T460-A481 HydrophobicContact CG2-CB 3.63Å; S462-A481 WeakPolarHBondContact OG-CB 3.29Å; P463-A481 CarbonylContact O-C 3.58Å; P463-A481 VanDerWaalsContact O-CA 3.31Å; P463-A481 WeakPolarHBondContact O-CA 3.48Å; A481-E483 VanDerWaalsContact C-N 3.29Å; A481-E483 PolarHBondContact O-N 2.86Å; A481-R484 VanDerWaalsContact O-CA 3.28Å; A481-R484 WeakPolarHBondContact O-CA 3.35Å; A481-R484 PolarHBondContact O-N 2.92Å; A481-V485 PolarHBondContact N-O 3.34Å
482	L	77.5	Confident	73.9	Confident	82 Å²	82	34.6 Å²	34.6	43%	0.429	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.5	174.2	-178.7	65.6	0	0	0	112.6	Y268 P463 T465 R484	Y268-L482 HydrophobicContact CD2-CD1 4.07Å; Y268-L482 HydrophobicContact CD2-CD2 3.73Å; Y268-L482 HydrophobicContact CD2-CG 4.46Å; Y268-L482 HydrophobicContact CE2-CD1 3.75Å; Y268-L482 HydrophobicContact CE2-CD2 4.27Å; Y268-L482 HydrophobicContact CG-CD2 4.49Å; P463-L482 HydrophobicContact CB-CB 4.12Å; P463-L482 HydrophobicContact CB-CD2 4.48Å; P463-L482 HydrophobicContact CG-CB 4.23Å; P463-L482 HydrophobicContact CG-CD2 3.92Å; P463-L482 PolarHBondContact O-N 3.43Å; T465-L482 HydrophobicContact CG2-CB 4Å; T465-L482 HydrophobicContact CG2-CD1 4.12Å; L482-R484 PolarHBondContact O-N 3.15Å
483	E	68.5	Low	74.4	Confident	112 Å²	112	32.1 Å²	32.1	52%	0.523	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	6.8	171.3	-69.7	168.8	155.4	0	0	112.6	S461 S462 A481 V485	S461-E483 PolarHBondContact OG-OE2 3.31Å; S461-E483 VanDerWaalsContact OG-OE2 3.06Å; S462-E483 VanDerWaalsContact CB-CD 3.5Å; S462-E483 WeakPolarHBondContact CB-OE2 3.23Å; S462-E483 WeakPolarHBondContact OG-CB 3.49Å; S462-E483 VanDerWaalsContact OG-CD 3.31Å; S462-E483 WeakPolarHBondContact OG-CG 3.3Å; S462-E483 PolarHBondContact OG-N 2.98Å; S462-E483 PolarHBondContact OG-OE2 3.26Å; A481-E483 VanDerWaalsContact C-N 3.29Å; A481-E483 PolarHBondContact O-N 2.86Å; E483-V485 HydrophobicContact CB-CG2 4.34Å; E483-V485 PolarHBondContact O-N 3.42Å; E483-V485 VanDerWaalsContact O-N 3.08Å
484	R	64.4	Low	74.9	Confident	96 Å²	96	34 Å²	34	36%	0.362	17%	0.17	S	C	.	.			trans	65.9	10.1	177.7	-51	160.9	-178.4	-158	7.6	113.4	A481 L482 G486 P508 F512	A481-R484 VanDerWaalsContact O-CA 3.28Å; A481-R484 WeakPolarHBondContact O-CA 3.35Å; A481-R484 PolarHBondContact O-N 2.92Å; L482-R484 PolarHBondContact O-N 3.15Å; R484-G486 PolarHBondContact O-N 2.73Å; R484-P508 HydrophobicContact CB-CG 3.84Å; R484-P508 WeakPolarHBondContact O-CD 3.26Å; R484-P508 VanDerWaalsContact O-CG 3.29Å; R484-P508 WeakPolarHBondContact O-CG 3.37Å; R484-F512 VanDerWaalsContact CD-O 3.29Å; R484-F512 WeakPolarHBondContact CD-O 3.42Å; R484-F512 PolarHBondContact NH1-O 3.34Å
485	V	67.9	Low	75.2	Confident	22 Å²	22	37 Å²	37	13%	0.133	19%	0.188	C	C	.	.			trans	-68.7	115.7	166	-179.2	0	0	0	0	107.4	A481 E483	A481-V485 PolarHBondContact N-O 3.34Å; E483-V485 HydrophobicContact CB-CG2 4.34Å; E483-V485 PolarHBondContact O-N 3.42Å; E483-V485 VanDerWaalsContact O-N 3.08Å
486	G	72.9	Confident	75.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	161.5	173.2	0	0	0	0	0	111.1	V479 R484 W506	V479-G486 CarbonylContact O-C 3.41Å; V479-G486 VanDerWaalsContact O-CA 3.23Å; V479-G486 WeakPolarHBondContact O-CA 3.45Å; R484-G486 PolarHBondContact O-N 2.73Å; G486-W506 VanDerWaalsContact CA-NE1 3.3Å; G486-W506 PolarHBondContact N-O 3.41Å; G486-W506 PolarHBondContact O-N 3.25Å; G486-W506 PolarHBondContact O-NE1 3.12Å
487	G	70	Confident	75.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	179.1	173.6	0	0	0	0	0	112.9	Y478 V479 W489 I504	Y478-G487 WeakPolarHBondContact CA-O 3.21Å; Y478-G487 WeakPolarHBondContact CD2-O 3.5Å; V479-G487 PolarHBondContact N-O 3.04Å; V479-G487 PolarHBondContact O-N 3.01Å; G487-W489 WeakPolarHBondContact O-CZ3 3.38Å; G487-I504 CarbonylContact C-O 3.32Å; G487-I504 WeakPolarHBondContact CA-O 3.48Å
488	V	74.6	Confident	75.5	Confident	9 Å²	9	39 Å²	39	6%	0.055	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.2	174.1	-179.2	0	0	0	0	107.7	M476 L477 Y478 G502 E503 I504 W506 W519	M476-V488 HydrophobicContact CB-CG1 4.47Å; M476-V488 HydrophobicContact SD-CG1 4.17Å; L477-V488 WeakPolarHBondContact O-CA 3.38Å; Y478-V488 HydrophobicContact CD2-CG2 4.46Å; V488-G502 CarbonylContact O-C 3.55Å; V488-E503 WeakPolarHBondContact O-CB 3.33Å; V488-E503 PolarHBondContact O-N 3.1Å; V488-I504 HydrophobicContact CB-CB 4.46Å; V488-I504 PolarHBondContact N-O 3.17Å; V488-I504 PolarHBondContact O-N 3.29Å; V488-W506 HydrophobicContact CG2-CH2 3.7Å; V488-W506 HydrophobicContact CG2-CZ2 3.98Å; V488-W519 HydrophobicContact CG1-CH2 4.33Å; V488-W519 HydrophobicContact CG1-CZ3 4.29Å
489	W	75.6	Confident	75.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.1	178.5	-73.9	-99.4	0	0	0	109.9	L459 M476 L477 V479 G487 L491 T498 G502	L459-W489 HydrophobicContact CB-CD2 4.38Å; L459-W489 HydrophobicContact CB-CZ2 4.18Å; L459-W489 HydrophobicContact CD1-CB 4.28Å; L459-W489 HydrophobicContact CD1-CD2 4.1Å; L459-W489 HydrophobicContact CD1-CG 3.98Å; L459-W489 HydrophobicContact CD2-CG 4.13Å; L459-W489 WeakPolarHBondContact O-CZ2 3.34Å; M476-W489 WeakPolarHBondContact CA-O 3.5Å; L477-W489 PolarHBondContact N-O 3.03Å; L477-W489 PolarHBondContact O-N 3.05Å; V479-W489 HydrophobicContact CB-CE3 3.79Å; V479-W489 HydrophobicContact CB-CH2 4.32Å; V479-W489 HydrophobicContact CB-CZ3 3.49Å; V479-W489 VanDerWaalsContact CB-CZ3 3.49Å; V479-W489 HydrophobicContact CG1-CZ3 4.44Å; V479-W489 HydrophobicContact CG2-CE3 3.76Å; V479-W489 HydrophobicContact CG2-CZ3 4.02Å; G487-W489 WeakPolarHBondContact O-CZ3 3.38Å; W489-L491 HydrophobicContact CB-CD2 4.44Å; W489-T498 PolarHBondContact NE1-O 2.86Å; W489-G502 VanDerWaalsContact NE1-CA 3.32Å
490	D	76.3	Confident	74.7	Confident	21 Å²	21	47.3 Å²	47.3	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.2	163.9	-170.7	-19.2	0	0	0	108.4	M476 D492 D493 C496 E503	M476-D490 HydrophobicContact CE-CB 3.85Å; M476-D490 HydrophobicContact SD-CB 3.92Å; D490-D492 PolarHBondContact OD1-N 2.9Å; D490-D493 HydrophobicContact CB-CB 4.2Å; D490-D493 WeakPolarHBondContact O-CB 3.33Å; D490-D493 PolarHBondContact O-N 2.95Å; D490-C496 WeakPolarHBondContact O-CB 3.09Å; D490-C496 PolarHBondContact O-SG 3.3Å; D490-E503 HydrophobicContact CB-CG 4.11Å
491	L	75.2	Confident	74.5	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.079	25%	0.251	C	S	.	.	S	Bend	trans	-83.6	-16.4	-175.3	-61.7	179.9	0	0	0	113.7	F423 K455 L459 R475 L477 W489 D493	F423-L491 HydrophobicContact CD1-CD1 3.77Å; F423-L491 HydrophobicContact CE1-CD1 3.04Å; F423-L491 HydrophobicContact CZ-CD1 3.57Å; K455-L491 PolarHBondContact NZ-O 2.93Å; L459-L491 HydrophobicContact CD1-CD2 4.35Å; R475-L491 WeakPolarHBondContact O-CB 3.43Å; R475-L491 PolarHBondContact O-N 3.33Å; L477-L491 HydrophobicContact CB-CD1 3.78Å; L477-L491 HydrophobicContact CB-CG 4.1Å; L477-L491 HydrophobicContact CD2-CD1 3.87Å; L477-L491 HydrophobicContact CD2-CD2 4.48Å; L477-L491 HydrophobicContact CG-CD1 4.43Å; W489-L491 HydrophobicContact CB-CD2 4.44Å; L491-D493 VanDerWaalsContact C-N 3.26Å
492	D	73.4	Confident	73.8	Confident	85 Å²	85	48.4 Å²	48.4	46%	0.455	26%	0.259	S	S	.	.	S	Bend	trans	-82.6	-11.5	173.2	-76.2	9.6	0	0	0	111.1	R475 D490 S494	R475-D492 WeakPolarHBondContact CD-OD2 3.41Å; R475-D492 HydrophobicContact CG-CB 4.35Å; R475-D492 WeakPolarHBondContact CG-OD2 3.23Å; R475-D492 IonicContact CZ-OD2 2.65Å; R475-D492 VanDerWaalsContact CZ-OD2 3.28Å; R475-D492 IonicContact NE-OD2 2.7Å; R475-D492 PolarHBondContact NE-OD2 3.39Å; R475-D492 IonicContact NH2-OD2 3.95Å; D490-D492 PolarHBondContact OD1-N 2.9Å; D492-S494 PolarHBondContact O-N 2.93Å
493	D	72.7	Confident	73.2	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.134	24%	0.244	C	C	.	.	S	Bend	trans	-64.3	123.3	172.1	-173	-22.5	0	0	0	110.2	R9 K455 D490 L491 V495 C496	R9-D493 IonicContact CZ-OD2 2.67Å; R9-D493 IonicContact NH1-OD1 2.63Å; R9-D493 IonicContact NH1-OD2 3.88Å; R9-D493 PolarHBondContact NH1-OD2 2.93Å; K455-D493 PolarHBondContact NZ-O 3.22Å; D490-D493 HydrophobicContact CB-CB 4.2Å; D490-D493 WeakPolarHBondContact O-CB 3.33Å; D490-D493 PolarHBondContact O-N 2.95Å; L491-D493 VanDerWaalsContact C-N 3.26Å; D493-V495 PolarHBondContact O-N 3.45Å; D493-V495 VanDerWaalsContact O-N 3.1Å; D493-V495 PolarHBondContact OD1-N 3.35Å; D493-C496 HydrophobicContact CB-CB 4Å; D493-C496 WeakPolarHBondContact O-CB 3.33Å; D493-C496 PolarHBondContact O-N 2.84Å; D493-C496 VanDerWaalsContact O-N 3.08Å
494	S	74.5	Confident	73.1	Confident	95 Å²	95	41.8 Å²	41.8	66%	0.664	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-8	178.6	62.9	0	0	0	0	113.6	D492 F497	D492-S494 PolarHBondContact O-N 2.93Å; S494-F497 WeakPolarHBondContact O-CE2 3.36Å; S494-F497 WeakPolarHBondContact O-CZ 3.25Å
495	V	76.5	Confident	73	Confident	68 Å²	68	42.3 Å²	42.3	41%	0.412	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	0.1	177.4	-167	0	0	0	0	111.6	D493 F497 S501	D493-V495 PolarHBondContact O-N 3.45Å; D493-V495 VanDerWaalsContact O-N 3.1Å; D493-V495 PolarHBondContact OD1-N 3.35Å; V495-F497 VanDerWaalsContact C-N 3.25Å; V495-F497 PolarHBondContact O-N 3.2Å; V495-S501 WeakPolarHBondContact O-CB 3.46Å
496	C	78.2	Confident	72.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	76.9	177.4	-179.3	0	0	0	0	111.6	K455 S457 D490 D493 S501	K455-C496 VanDerWaalsContact CE-O 3.29Å; K455-C496 WeakPolarHBondContact CE-O 3.44Å; K455-C496 PolarHBondContact NZ-O 3.19Å; S457-C496 WeakPolarHBondContact CB-O 3.33Å; S457-C496 PolarHBondContact OG-O 2.57Å; D490-C496 WeakPolarHBondContact O-CB 3.09Å; D490-C496 PolarHBondContact O-SG 3.3Å; D493-C496 HydrophobicContact CB-CB 4Å; D493-C496 WeakPolarHBondContact O-CB 3.33Å; D493-C496 PolarHBondContact O-N 2.84Å; D493-C496 VanDerWaalsContact O-N 3.08Å; C496-S501 WeakPolarHBondContact CA-OG 3.28Å
497	F	78	Confident	72.1	Confident	106 Å²	106	50.8 Å²	50.8	47%	0.465	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-20.3	-178.8	-62.1	-62.4	0	0	0	113.9	R458 S494 V495	R458-F497 CarbonylContact C-O 3.59Å; R458-F497 PolarHBondContact N-O 2.73Å; S494-F497 WeakPolarHBondContact O-CE2 3.36Å; S494-F497 WeakPolarHBondContact O-CZ 3.25Å; V495-F497 VanDerWaalsContact C-N 3.25Å; V495-F497 PolarHBondContact O-N 3.2Å
498	T	80.2	Confident	71.2	Confident	71 Å²	71	52.5 Å²	52.5	44%	0.436	28%	0.278	S	S	.	.	S	Bend	trans	-125.3	162.4	-169.6	68.5	0	0	0	0	111.5	R458 W489 E500 S501	R458-T498 CarbonylContact O-C 3.55Å; R458-T498 VanDerWaalsContact O-CA 3.28Å; R458-T498 WeakPolarHBondContact O-CA 3.46Å; W489-T498 PolarHBondContact NE1-O 2.86Å; T498-E500 PolarHBondContact O-N 2.94Å; T498-S501 PolarHBondContact N-OG 3.38Å; T498-S501 WeakPolarHBondContact O-CB 3.33Å; T498-S501 PolarHBondContact O-N 3.45Å; T498-S501 VanDerWaalsContact O-N 3.09Å; T498-S501 PolarHBondContact O-OG 3.4Å
499	S	74.4	Confident	69.8	Low	35 Å²	35	57.7 Å²	57.7	25%	0.245	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-58.6	-32.8	174.4	66.7	0	0	0	0	113.1	R458 L459 S501 R505	R458-S499 PolarHBondContact O-N 3.39Å; L459-S499 WeakPolarHBondContact O-CA 3.41Å; L459-S499 WeakPolarHBondContact O-CB 3.41Å; S499-S501 VanDerWaalsContact C-N 3.27Å; S499-S501 PolarHBondContact O-N 2.81Å; S499-R505 WeakPolarHBondContact O-CD 3.45Å; S499-R505 PolarHBondContact O-NE 3.31Å; S499-R505 VanDerWaalsContact O-NE 3.15Å; S499-R505 PolarHBondContact O-NH1 2.79Å
500	E	75.1	Confident	68.2	Low	143 Å²	143	63.2 Å²	63.2	67%	0.668	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-70.7	-17.8	177.8	-62.1	-172.7	-175.9	0	0	114.9	T498 G502	T498-E500 PolarHBondContact O-N 2.94Å; E500-G502 PolarHBondContact O-N 2.83Å
501	S	75.5	Confident	66.4	Low	14 Å²	14	64.1 Å²	64.1	10%	0.098	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-78.9	1.9	-177.9	67.9	0	0	0	0	114.7	V495 C496 T498 S499 E503	V495-S501 WeakPolarHBondContact O-CB 3.46Å; C496-S501 WeakPolarHBondContact CA-OG 3.28Å; T498-S501 PolarHBondContact N-OG 3.38Å; T498-S501 WeakPolarHBondContact O-CB 3.33Å; T498-S501 PolarHBondContact O-N 3.45Å; T498-S501 VanDerWaalsContact O-N 3.09Å; T498-S501 PolarHBondContact O-OG 3.4Å; S499-S501 VanDerWaalsContact C-N 3.27Å; S499-S501 PolarHBondContact O-N 2.81Å; S501-E503 PolarHBondContact O-N 3.44Å
502	G	69.4	Low	64.8	Low	17 Å²	17	67.5 Å²	67.5	18%	0.175	36%	0.364	C	S	.	.			trans	-62	128.9	-179.4	0	0	0	0	0	112.3	V488 W489 E500 I504	V488-G502 CarbonylContact O-C 3.55Å; W489-G502 VanDerWaalsContact NE1-CA 3.32Å; E500-G502 PolarHBondContact O-N 2.83Å; G502-I504 VanDerWaalsContact C-N 3.26Å; G502-I504 PolarHBondContact O-N 2.88Å
503	E	63.7	Low	63.3	Low	25 Å²	25	67.2 Å²	67.2	12%	0.117	36%	0.361	C	S	.	.	S	Bend	trans	-61.5	-38.8	175.3	-68.3	-69.5	-179.5	0	0	111.1	S11 A12 V488 D490 S501	S11-E503 PolarHBondContact OG-OE1 3.4Å; A12-E503 WeakPolarHBondContact CA-OE2 3.34Å; A12-E503 WeakPolarHBondContact CB-OE2 3.46Å; A12-E503 PolarHBondContact N-OE2 3.06Å; V488-E503 WeakPolarHBondContact O-CB 3.33Å; V488-E503 PolarHBondContact O-N 3.1Å; D490-E503 HydrophobicContact CB-CG 4.11Å; S501-E503 PolarHBondContact O-N 3.44Å
504	I	67.4	Low	62	Low	31 Å²	31	66.6 Å²	66.6	16%	0.159	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.6	172.4	-47.5	176.1	0	0	0	107.9	I19 G487 V488 G502 W506	I19-I504 HydrophobicContact CD1-CD1 3.66Å; G487-I504 CarbonylContact C-O 3.32Å; G487-I504 WeakPolarHBondContact CA-O 3.48Å; V488-I504 HydrophobicContact CB-CB 4.46Å; V488-I504 PolarHBondContact N-O 3.17Å; V488-I504 PolarHBondContact O-N 3.29Å; G502-I504 VanDerWaalsContact C-N 3.26Å; G502-I504 PolarHBondContact O-N 2.88Å; I504-W506 HydrophobicContact CB-CH2 4.41Å; I504-W506 HydrophobicContact CB-CZ3 4Å; I504-W506 HydrophobicContact CG2-CE3 3.71Å; I504-W506 HydrophobicContact CG2-CH2 4.15Å; I504-W506 HydrophobicContact CG2-CZ3 3.29Å
505	R	61.3	Low	60.9	Low	106 Å²	106	68.7 Å²	68.7	40%	0.4	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.4	177.3	-63.2	-177.1	70.4	-178.4	5.5	110.8	S499	S499-R505 WeakPolarHBondContact O-CD 3.45Å; S499-R505 PolarHBondContact O-NE 3.31Å; S499-R505 VanDerWaalsContact O-NE 3.15Å; S499-R505 PolarHBondContact O-NH1 2.79Å
506	W	62.9	Low	60	Low	86 Å²	86	68.3 Å²	68.3	33%	0.326	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.8	172.2	27.5	81.7	0	0	0	109	Y478 G486 V488 I504 F525	Y478-W506 AromaticContact CD2-CZ2 3.84Å; Y478-W506 HydrophobicContact CD2-CZ2 3.84Å; Y478-W506 AromaticContact CE2-CE2 3.93Å; Y478-W506 AromaticContact CE2-CZ2 3.69Å; Y478-W506 HydrophobicContact CE2-CZ2 3.69Å; Y478-W506 AromaticContact CE2-NE1 3.55Å; G486-W506 VanDerWaalsContact CA-NE1 3.3Å; G486-W506 PolarHBondContact N-O 3.41Å; G486-W506 PolarHBondContact O-N 3.25Å; G486-W506 PolarHBondContact O-NE1 3.12Å; V488-W506 HydrophobicContact CG2-CH2 3.7Å; V488-W506 HydrophobicContact CG2-CZ2 3.98Å; I504-W506 HydrophobicContact CB-CH2 4.41Å; I504-W506 HydrophobicContact CB-CZ3 4Å; I504-W506 HydrophobicContact CG2-CE3 3.71Å; I504-W506 HydrophobicContact CG2-CH2 4.15Å; I504-W506 HydrophobicContact CG2-CZ3 3.29Å; W506-F525 HydrophobicContact CZ2-CE1 4.01Å; W506-F525 HydrophobicContact CZ2-CZ 4.43Å
507	N	59.6	Low	59.1	Low	114 Å²	114	68.3 Å²	68.3	61%	0.61	35%	0.348	S	S	*	.			trans	-111.1	100.7	166.3	-170.3	-1.2	0	0	0	106.5	V509	N507-V509 PolarHBondContact O-N 2.96Å; N507-V509 VanDerWaalsContact O-N 3.12Å
508	P	51.5	Low	58.2	Low	36 Å²	36	66.4 Å²	66.4	23%	0.234	34%	0.342	C	S	.	.			trans	-61.9	115	173.5	21.5	-26	0	0	0	108.8	R484 H510 F512	R484-P508 HydrophobicContact CB-CG 3.84Å; R484-P508 WeakPolarHBondContact O-CD 3.26Å; R484-P508 VanDerWaalsContact O-CG 3.29Å; R484-P508 WeakPolarHBondContact O-CG 3.37Å; P508-H510 PolarHBondContact O-N 3.29Å; P508-F512 HydrophobicContact CB-CB 3.77Å; P508-F512 HydrophobicContact CB-CD2 3.46Å; P508-F512 VanDerWaalsContact CB-CD2 3.46Å; P508-F512 HydrophobicContact CB-CE2 4.44Å; P508-F512 HydrophobicContact CB-CG 3.97Å; P508-F512 HydrophobicContact CG-CB 4.26Å
509	V	45.1	Very low	57.2	Low	119 Å²	119	64 Å²	64	72%	0.721	32%	0.324	S	S	*	.	S	Bend	trans	-63.4	-31.9	-174.4	-169	0	0	0	0	111.4	N507	N507-V509 PolarHBondContact O-N 2.96Å; N507-V509 VanDerWaalsContact O-N 3.12Å
510	H	41.2	Very low	56.4	Low	115 Å²	115	64.5 Å²	64.5	53%	0.532	32%	0.324	S	S	.	.	S	Bend	trans	-148.4	139.9	179.6	-63.5	-67.4	0	0	0	112.6	P508 F512 F551	P508-H510 PolarHBondContact O-N 3.29Å; H510-F512 VanDerWaalsContact C-N 3.32Å; H510-F512 WeakPolarHBondContact O-CD2 3.5Å; H510-F512 PolarHBondContact O-N 2.95Å; H510-F551 HydrophobicContact CB-CD1 4.25Å; H510-F551 HydrophobicContact CB-CD2 3.92Å; H510-F551 HydrophobicContact CB-CE1 4.18Å; H510-F551 HydrophobicContact CB-CE2 3.79Å; H510-F551 HydrophobicContact CB-CG 4.15Å; H510-F551 HydrophobicContact CB-CZ 3.95Å
511	G	38.8	Very low	55.4	Low	41 Å²	41	61.4 Å²	61.4	42%	0.423	32%	0.318	S	S	.	.			trans	69.8	-7	153.2	0	0	0	0	0	120.4	M513	G511-M513 PolarHBondContact O-N 3.49Å
512	F	40.7	Very low	54.2	Low	85 Å²	85	62.2 Å²	62.2	37%	0.373	32%	0.321	S	S	.	.			trans	-73.7	103.2	-177.3	-70.6	-82.1	0	0	0	112.5	R484 P508 H510 G514 L544	R484-F512 VanDerWaalsContact CD-O 3.29Å; R484-F512 WeakPolarHBondContact CD-O 3.42Å; R484-F512 PolarHBondContact NH1-O 3.34Å; P508-F512 HydrophobicContact CB-CB 3.77Å; P508-F512 HydrophobicContact CB-CD2 3.46Å; P508-F512 VanDerWaalsContact CB-CD2 3.46Å; P508-F512 HydrophobicContact CB-CE2 4.44Å; P508-F512 HydrophobicContact CB-CG 3.97Å; P508-F512 HydrophobicContact CG-CB 4.26Å; H510-F512 VanDerWaalsContact C-N 3.32Å; H510-F512 WeakPolarHBondContact O-CD2 3.5Å; H510-F512 PolarHBondContact O-N 2.95Å; F512-G514 VanDerWaalsContact C-N 3.34Å; F512-G514 PolarHBondContact O-N 3.49Å; F512-L544 HydrophobicContact CZ-CD1 4.49Å
513	M	43.2	Very low	53.2	Low	80 Å²	80	62.6 Å²	62.6	39%	0.394	33%	0.325	S	S	.	.			trans	-90.3	45.2	-175.7	-65.4	177.9	77	0	0	113.6	G511 R515 S529 R530	G511-M513 PolarHBondContact O-N 3.49Å; M513-R515 PolarHBondContact O-N 3.02Å; M513-S529 WeakPolarHBondContact O-CA 3.42Å; M513-S529 WeakPolarHBondContact O-CB 3.03Å; M513-R530 PolarHBondContact O-N 3.42Å
514	G	45.5	Very low	52.6	Low	12 Å²	12	64.5 Å²	64.5	12%	0.124	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.7	178.6	0	0	0	0	0	112.8	Q480 F512 G528	Q480-G514 PolarHBondContact NE2-O 3.04Å; F512-G514 VanDerWaalsContact C-N 3.34Å; F512-G514 PolarHBondContact O-N 3.49Å; G514-G528 CarbonylContact C-O 3.07Å; G514-G528 WeakPolarHBondContact CA-O 3.34Å
515	R	50.7	Low	51.7	Low	139 Å²	139	64 Å²	64	53%	0.525	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-37.4	171.2	-169.9	-168.4	-179.6	-174.9	2	110.8	M513 G528 T582	M513-R515 PolarHBondContact O-N 3.02Å; R515-G528 PolarHBondContact N-O 2.83Å; R515-G528 VanDerWaalsContact N-O 3.13Å; R515-T582 PolarHBondContact NH1-O 3.46Å
516	E	57.5	Low	51.1	Low	60 Å²	60	60.8 Å²	60.8	28%	0.28	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	-168.5	-70.9	167.5	-160.1	0	0	110.3	G528	E516-G528 PolarHBondContact O-N 3.07Å
517	G	59.2	Low	50.5	Low	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.5	166.5	0	0	0	0	0	109.2	S466 S468 L526	S466-G517 PolarHBondContact OG-N 3.48Å; S466-G517 PolarHBondContact OG-O 3.46Å; S468-G517 WeakPolarHBondContact CB-O 3.16Å; G517-L526 CarbonylContact C-O 3.38Å; G517-L526 WeakPolarHBondContact CA-O 3.22Å
518	I	60.5	Low	49.8	Very low	65 Å²	65	53 Å²	53	33%	0.333	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.7	-175.6	-60.3	173.4	0	0	0	109	I520 L526 W533	I518-I520 HydrophobicContact CG2-CG2 4.26Å; I518-L526 PolarHBondContact N-O 3.12Å; I518-L526 PolarHBondContact O-N 2.73Å; I518-W533 HydrophobicContact CD1-CH2 4.42Å; I518-W533 HydrophobicContact CD1-CZ3 4.42Å
519	W	59.3	Low	49.5	Very low	20 Å²	20	52.5 Å²	52.5	8%	0.076	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.4	164.7	-145.1	-31.5	0	0	0	108.6	R415 S468 H470 M476 V488 G523	R415-W519 PolarHBondContact NH2-O 3.29Å; S468-W519 PolarHBondContact OG-N 3.49Å; H470-W519 HydrophobicContact CB-CD2 3.85Å; H470-W519 HydrophobicContact CB-CE3 3.45Å; H470-W519 VanDerWaalsContact CB-CE3 3.45Å; H470-W519 HydrophobicContact CB-CH2 3.73Å; H470-W519 HydrophobicContact CB-CZ2 4.1Å; H470-W519 HydrophobicContact CB-CZ3 3.38Å; H470-W519 AromaticContact CD2-CE2 3.56Å; H470-W519 AromaticContact CD2-CH2 3.1Å; H470-W519 WeakPolarHBondContact CD2-CH2 3.29Å; H470-W519 AromaticContact CD2-CZ2 2.98Å; H470-W519 WeakPolarHBondContact CD2-CZ2 3.06Å; H470-W519 AromaticContact CD2-CZ3 3.77Å; H470-W519 AromaticContact CG-CD2 3.89Å; H470-W519 AromaticContact CG-CE2 3.66Å; H470-W519 AromaticContact CG-CE3 3.93Å; H470-W519 AromaticContact CG-CH2 3.6Å; H470-W519 AromaticContact CG-CZ2 3.54Å; H470-W519 AromaticContact CG-CZ3 3.79Å; H470-W519 AromaticContact NE2-CE2 3.92Å; H470-W519 AromaticContact NE2-CZ2 3.47Å; H470-W519 WeakPolarHBondContact NE2-CZ2 3.29Å; M476-W519 HydrophobicContact CB-CH2 4.2Å; M476-W519 HydrophobicContact CB-CZ3 4.08Å; V488-W519 HydrophobicContact CG1-CH2 4.33Å; V488-W519 HydrophobicContact CG1-CZ3 4.29Å; W519-G523 PolarHBondContact NE1-O 3.46Å
520	I	56.9	Low	49.3	Very low	46 Å²	46	53.1 Å²	53.1	24%	0.236	28%	0.275	C	S	.	.			trans	-79	155.1	176.9	43.7	162.6	0	0	0	110.7	P471 I518 N522 G523 E524 L526	P471-I520 WeakPolarHBondContact CG-O 3.33Å; I518-I520 HydrophobicContact CG2-CG2 4.26Å; I520-N522 WeakPolarHBondContact CD1-OD1 3.2Å; I520-N522 WeakPolarHBondContact CG1-OD1 3.38Å; I520-N522 PolarHBondContact O-N 2.85Å; I520-G523 PolarHBondContact O-N 3.19Å; I520-E524 HydrophobicContact CD1-CB 3.7Å; I520-E524 HydrophobicContact CG1-CB 3.74Å; I520-E524 WeakPolarHBondContact CG1-O 3.29Å; I520-E524 PolarHBondContact N-O 3.04Å; I520-L526 HydrophobicContact CD1-CD1 4.15Å; I520-L526 HydrophobicContact CD1-CG 4.25Å; I520-L526 HydrophobicContact CG1-CD1 4.33Å; I520-L526 HydrophobicContact CG1-CG 4.29Å; I520-L526 HydrophobicContact CG2-CD1 3.58Å; I520-L526 HydrophobicContact CG2-CG 4.27Å
521	S	53.5	Low	49	Very low	79 Å²	79	49.8 Å²	49.8	55%	0.552	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.6	-170.9	57.9	0	0	0	0	114.3	G523	S521-G523 PolarHBondContact O-N 3.17Å
522	N	50.3	Low	48.9	Very low	30 Å²	30	50.6 Å²	50.6	16%	0.16	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.5	175.2	72.1	-5.9	0	0	0	114.2	I520 E524	I520-N522 WeakPolarHBondContact CD1-OD1 3.2Å; I520-N522 WeakPolarHBondContact CG1-OD1 3.38Å; I520-N522 PolarHBondContact O-N 2.85Å; N522-E524 VanDerWaalsContact ND2-CD 3.31Å; N522-E524 PolarHBondContact ND2-OE2 3.41Å; N522-E524 VanDerWaalsContact OD1-CB 3.31Å; N522-E524 WeakPolarHBondContact OD1-CB 3.44Å; N522-E524 PolarHBondContact OD1-N 2.9Å
523	G	47.7	Very low	48.8	Very low	25 Å²	25	53 Å²	53	26%	0.258	26%	0.26	S	S	.	.	S	Bend	trans	86.1	0.6	-177.4	0	0	0	0	0	114.8	W519 I520 S521	W519-G523 PolarHBondContact NE1-O 3.46Å; I520-G523 PolarHBondContact O-N 3.19Å; S521-G523 PolarHBondContact O-N 3.17Å
524	E	51.5	Low	48.8	Very low	65 Å²	65	51.2 Å²	51.2	30%	0.304	25%	0.25	S	S	.	.			trans	-76.4	152.9	170.6	-69.9	176	163.4	0	0	110.8	I520 N522	I520-E524 HydrophobicContact CD1-CB 3.7Å; I520-E524 HydrophobicContact CG1-CB 3.74Å; I520-E524 WeakPolarHBondContact CG1-O 3.29Å; I520-E524 PolarHBondContact N-O 3.04Å; N522-E524 VanDerWaalsContact ND2-CD 3.31Å; N522-E524 PolarHBondContact ND2-OE2 3.41Å; N522-E524 VanDerWaalsContact OD1-CB 3.31Å; N522-E524 WeakPolarHBondContact OD1-CB 3.44Å; N522-E524 PolarHBondContact OD1-N 2.9Å
525	F	49.5	Very low	48.7	Very low	21 Å²	21	52.4 Å²	52.4	9%	0.092	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.7	-177.7	-179.5	-110.3	0	0	0	108.2	Y478 W506 V527 T535 S536	Y478-F525 AromaticContact CD1-CE2 3.58Å; Y478-F525 HydrophobicContact CD1-CE2 3.58Å; Y478-F525 AromaticContact CD1-CZ 3.86Å; Y478-F525 HydrophobicContact CD1-CZ 3.86Å; Y478-F525 HydrophobicContact CD2-CD2 4.42Å; Y478-F525 HydrophobicContact CD2-CE1 4.24Å; Y478-F525 AromaticContact CD2-CE2 3.42Å; Y478-F525 HydrophobicContact CD2-CE2 3.42Å; Y478-F525 VanDerWaalsContact CD2-CE2 3.42Å; Y478-F525 AromaticContact CD2-CZ 3.35Å; Y478-F525 HydrophobicContact CD2-CZ 3.35Å; Y478-F525 AromaticContact CE1-CE2 3.85Å; Y478-F525 HydrophobicContact CE1-CE2 3.85Å; Y478-F525 AromaticContact CE1-CZ 3.66Å; Y478-F525 HydrophobicContact CE1-CZ 3.66Å; Y478-F525 AromaticContact CE2-CE1 3.89Å; Y478-F525 HydrophobicContact CE2-CE1 3.89Å; Y478-F525 AromaticContact CE2-CE2 3.71Å; Y478-F525 HydrophobicContact CE2-CE2 3.71Å; Y478-F525 AromaticContact CE2-CZ 3.11Å; Y478-F525 HydrophobicContact CE2-CZ 3.11Å; Y478-F525 HydrophobicContact CG-CD2 4.36Å; Y478-F525 AromaticContact CG-CE2 3.33Å; Y478-F525 HydrophobicContact CG-CE2 3.33Å; Y478-F525 AromaticContact CG-CZ 3.71Å; Y478-F525 HydrophobicContact CG-CZ 3.71Å; Y478-F525 AromaticContact CZ-CE2 3.9Å; Y478-F525 AromaticContact CZ-CZ 3.26Å; W506-F525 HydrophobicContact CZ2-CE1 4.01Å; W506-F525 HydrophobicContact CZ2-CZ 4.43Å; F525-V527 HydrophobicContact CD1-CG2 3.8Å; F525-V527 HydrophobicContact CE1-CB 4.49Å; F525-V527 HydrophobicContact CE1-CG2 3.02Å; F525-V527 HydrophobicContact CZ-CG2 3.49Å; F525-V527 VanDerWaalsContact CZ-CG2 3.49Å; F525-T535 CarbonylContact O-C 3.57Å; F525-T535 WeakPolarHBondContact O-CA 3.46Å; F525-S536 PolarHBondContact O-N 2.92Å
526	L	48.9	Very low	48.5	Very low	38 Å²	38	47.2 Å²	47.2	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.9	175.7	-70.4	176.7	0	0	0	109.1	G517 I518 I520 W533 F534 T535	G517-L526 CarbonylContact C-O 3.38Å; G517-L526 WeakPolarHBondContact CA-O 3.22Å; I518-L526 PolarHBondContact N-O 3.12Å; I518-L526 PolarHBondContact O-N 2.73Å; I520-L526 HydrophobicContact CD1-CD1 4.15Å; I520-L526 HydrophobicContact CD1-CG 4.25Å; I520-L526 HydrophobicContact CG1-CD1 4.33Å; I520-L526 HydrophobicContact CG1-CG 4.29Å; I520-L526 HydrophobicContact CG2-CD1 3.58Å; I520-L526 HydrophobicContact CG2-CG 4.27Å; L526-W533 HydrophobicContact CB-CE3 4.13Å; L526-W533 HydrophobicContact CB-CZ3 4.45Å; L526-F534 VanDerWaalsContact CA-O 3.29Å; L526-F534 WeakPolarHBondContact CA-O 3.44Å; L526-T535 HydrophobicContact CD2-CG2 3.9Å
527	V	49	Very low	47.7	Very low	34 Å²	34	47.9 Å²	47.9	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.9	165.8	-173.9	0	0	0	0	107.4	F525 F534	F525-V527 HydrophobicContact CD1-CG2 3.8Å; F525-V527 HydrophobicContact CE1-CB 4.49Å; F525-V527 HydrophobicContact CE1-CG2 3.02Å; F525-V527 HydrophobicContact CZ-CG2 3.49Å; F525-V527 VanDerWaalsContact CZ-CG2 3.49Å; V527-F534 PolarHBondContact N-O 3.32Å; V527-F534 PolarHBondContact O-N 3.4Å
528	G	45.1	Very low	46.9	Very low	4 Å²	4	50.6 Å²	50.6	4%	0.041	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.7	176.7	0	0	0	0	0	110.7	G514 R515 E516 W533	G514-G528 CarbonylContact C-O 3.07Å; G514-G528 WeakPolarHBondContact CA-O 3.34Å; R515-G528 PolarHBondContact N-O 2.83Å; R515-G528 VanDerWaalsContact N-O 3.13Å; E516-G528 PolarHBondContact O-N 3.07Å; G528-W533 VanDerWaalsContact CA-CE3 3.47Å
529	S	45.1	Very low	46	Very low	25 Å²	25	51.3 Å²	51.3	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	170.8	158.3	80.3	0	0	0	0	111.3	M513 E531 M532	M513-S529 WeakPolarHBondContact O-CA 3.42Å; M513-S529 WeakPolarHBondContact O-CB 3.03Å; S529-E531 PolarHBondContact O-N 2.98Å; S529-E531 PolarHBondContact OG-N 2.99Å; S529-M532 PolarHBondContact N-O 2.82Å; S529-M532 PolarHBondContact OG-N 3.44Å; S529-M532 VanDerWaalsContact OG-N 3.07Å; S529-M532 PolarHBondContact OG-O 2.77Å
530	R	40.7	Very low	45	Very low	132 Å²	132	54.3 Å²	54.3	50%	0.498	29%	0.289	S	S	.	.	S	Bend	trans	-50.7	-29.2	173.5	-73.4	-173.8	174.4	174.2	-0.1	113.2	M513 F561	M513-R530 PolarHBondContact O-N 3.42Å; R530-F561 VanDerWaalsContact NH2-CD1 3.29Å
531	E	35.1	Very low	44.1	Very low	44 Å²	44	57.5 Å²	57.5	21%	0.206	31%	0.306	C	S	.	.	S	Bend	trans	-109.7	-31.9	-172.2	-63.9	171.7	178.3	0	0	112.7	S529 S564 T567	S529-E531 PolarHBondContact O-N 2.98Å; S529-E531 PolarHBondContact OG-N 2.99Å; E531-S564 PolarHBondContact OE1-OG 3.46Å; E531-T567 PolarHBondContact O-OG1 3.15Å; E531-T567 VanDerWaalsContact O-OG1 3.09Å
532	M	37	Very low	43.1	Very low	58 Å²	58	58.3 Å²	58.3	29%	0.286	31%	0.308	S	S	.	.			trans	-144.9	146.3	-168.5	-75.5	-168.1	-89.9	0	0	114.2	S529 F534 W547	S529-M532 PolarHBondContact N-O 2.82Å; S529-M532 PolarHBondContact OG-N 3.44Å; S529-M532 VanDerWaalsContact OG-N 3.07Å; S529-M532 PolarHBondContact OG-O 2.77Å; M532-F534 HydrophobicContact CB-CD2 4.45Å; M532-F534 HydrophobicContact CB-CE1 4.49Å; M532-F534 HydrophobicContact CB-CE2 3.63Å; M532-F534 HydrophobicContact CB-CZ 3.65Å; M532-F534 HydrophobicContact CE-CZ 3.99Å; M532-F534 HydrophobicContact CG-CZ 4.38Å; M532-F534 HydrophobicContact SD-CE1 4.27Å; M532-F534 HydrophobicContact SD-CZ 3.83Å; M532-W547 HydrophobicContact CE-CH2 3.9Å
533	W	38.6	Very low	42.3	Very low	135 Å²	135	66.2 Å²	66.2	51%	0.511	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.1	170	-65.5	85.4	0	0	0	110.3	I518 L526 G528	I518-W533 HydrophobicContact CD1-CH2 4.42Å; I518-W533 HydrophobicContact CD1-CZ3 4.42Å; L526-W533 HydrophobicContact CB-CE3 4.13Å; L526-W533 HydrophobicContact CB-CZ3 4.45Å; G528-W533 VanDerWaalsContact CA-CE3 3.47Å
534	F	43	Very low	41.7	Very low	44 Å²	44	69.2 Å²	69.2	19%	0.193	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.4	176.5	-57.9	-85.6	0	0	0	110.8	L526 V527 M532	L526-F534 VanDerWaalsContact CA-O 3.29Å; L526-F534 WeakPolarHBondContact CA-O 3.44Å; V527-F534 PolarHBondContact N-O 3.32Å; V527-F534 PolarHBondContact O-N 3.4Å; M532-F534 HydrophobicContact CB-CD2 4.45Å; M532-F534 HydrophobicContact CB-CE1 4.49Å; M532-F534 HydrophobicContact CB-CE2 3.63Å; M532-F534 HydrophobicContact CB-CZ 3.65Å; M532-F534 HydrophobicContact CE-CZ 3.99Å; M532-F534 HydrophobicContact CG-CZ 4.38Å; M532-F534 HydrophobicContact SD-CE1 4.27Å; M532-F534 HydrophobicContact SD-CZ 3.83Å
535	T	43.2	Very low	40.9	Very low	36 Å²	36	71.1 Å²	71.1	22%	0.221	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	152.1	168.6	65.9	0	0	0	0	110.3	F525 L526 T537 S538 C539	F525-T535 CarbonylContact O-C 3.57Å; F525-T535 WeakPolarHBondContact O-CA 3.46Å; L526-T535 HydrophobicContact CD2-CG2 3.9Å; T535-T537 WeakPolarHBondContact CB-OG1 3.31Å; T535-T537 PolarHBondContact O-N 3.33Å; T535-T537 VanDerWaalsContact O-N 3.07Å; T535-T537 PolarHBondContact OG1-OG1 3.07Å; T535-S538 WeakPolarHBondContact O-CB 3.02Å; T535-S538 PolarHBondContact O-N 2.93Å; T535-S538 PolarHBondContact OG1-N 3.41Å; T535-S538 PolarHBondContact OG1-OG 3.35Å; T535-C539 PolarHBondContact O-N 3.04Å
536	S	46.7	Very low	40.3	Very low	31 Å²	31	78.6 Å²	78.6	22%	0.217	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.5	171.1	46.4	0	0	0	0	113.6	F525 R540	F525-S536 PolarHBondContact O-N 2.92Å; S536-R540 WeakPolarHBondContact O-CD 3.46Å; S536-R540 VanDerWaalsContact O-CG 3.29Å; S536-R540 WeakPolarHBondContact O-CG 3.09Å
537	T	42	Very low	39.8	Very low	73 Å²	73	80.6 Å²	80.6	45%	0.448	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-40.5	173.1	33.6	0	0	0	0	112.6	T535 C539 R540 N541	T535-T537 WeakPolarHBondContact CB-OG1 3.31Å; T535-T537 PolarHBondContact O-N 3.33Å; T535-T537 VanDerWaalsContact O-N 3.07Å; T535-T537 PolarHBondContact OG1-OG1 3.07Å; T537-C539 PolarHBondContact O-N 3.35Å; T537-R540 PolarHBondContact O-N 2.73Å; T537-N541 PolarHBondContact O-N 2.93Å
538	S	41.6	Very low	39.1	Very low	58 Å²	58	83.1 Å²	83.1	41%	0.406	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-31.8	177.2	-54.6	0	0	0	0	112.8	T535 R540	T535-S538 WeakPolarHBondContact O-CB 3.02Å; T535-S538 PolarHBondContact O-N 2.93Å; T535-S538 PolarHBondContact OG1-N 3.41Å; T535-S538 PolarHBondContact OG1-OG 3.35Å; S538-R540 VanDerWaalsContact C-N 3.29Å; S538-R540 PolarHBondContact O-N 3.46Å
539	C	41.4	Very low	38.8	Very low	80 Å²	80	86 Å²	86	54%	0.541	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.9	177.1	-59.9	0	0	0	0	113.9	T535 T537	T535-C539 PolarHBondContact O-N 3.04Å; T537-C539 PolarHBondContact O-N 3.35Å
540	R	38.1	Very low	38.2	Very low	83 Å²	83	88.6 Å²	88.6	31%	0.313	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-36.7	-175	-75.4	172.8	-178.5	-127.5	-5.4	113.7	M1 S536 T537 S538	M1-R540 HydrophobicContact CE-CG 4.18Å; S536-R540 WeakPolarHBondContact O-CD 3.46Å; S536-R540 VanDerWaalsContact O-CG 3.29Å; S536-R540 WeakPolarHBondContact O-CG 3.09Å; T537-R540 PolarHBondContact O-N 2.73Å; S538-R540 VanDerWaalsContact C-N 3.29Å; S538-R540 PolarHBondContact O-N 3.46Å
541	N	37.6	Very low	38	Very low	113 Å²	113	84.6 Å²	84.6	60%	0.604	45%	0.447	S	S	*	.	S	Bend	trans	-102.8	127.8	179.2	-66.7	-13.4	0	0	0	107.9	T537	T537-N541 PolarHBondContact O-N 2.93Å
542	T	33.8	Very low	38.1	Very low	96 Å²	96	88.8 Å²	88.8	59%	0.589	47%	0.472	S	S	*	.			trans	92.9	117.6	179.7	75.5	0	0	0	0	113.2	L544	T542-L544 PolarHBondContact O-N 3.09Å
543	Q	33.4	Very low	37.9	Very low	196 Å²	196	91 Å²	91	92%	0.916	49%	0.489	S	S	*	.				30.6	50.7	68.4	-74.2	-170.4	-1.9	0	0	111.9	P545	Q543-P545 VanDerWaalsContact O-CD 3.25Å; Q543-P545 WeakPolarHBondContact O-CD 3.2Å; Q543-P545 VanDerWaalsContact O-N 3.11Å
544	L	35.4	Very low	37.4	Very low	87 Å²	87	88.5 Å²	88.5	46%	0.455	48%	0.483	S	S	.	.			trans	-57.2	111.3	172	-74	162.7	0	0	0	108.6	F512 T542 K546	F512-L544 HydrophobicContact CZ-CD1 4.49Å; T542-L544 PolarHBondContact O-N 3.09Å; L544-K546 PolarHBondContact O-N 3.34Å
545	P	32.7	Very low	36.7	Very low	106 Å²	106	93.1 Å²	93.1	69%	0.688	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	123.4	-170.9	28.3	-30.1	0	0	0	109.9	Q543 W547	Q543-P545 VanDerWaalsContact O-CD 3.25Å; Q543-P545 WeakPolarHBondContact O-CD 3.2Å; Q543-P545 VanDerWaalsContact O-N 3.11Å; P545-W547 PolarHBondContact O-N 3.26Å
546	K	37.7	Very low	35.8	Very low	178 Å²	178	99 Å²	99	77%	0.774	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	37.2	158	-60.1	-175.6	177.3	-179.9	0	118.1	L544	L544-K546 PolarHBondContact O-N 3.34Å
547	W	37.7	Very low	34.8	Very low	79 Å²	79	102.9 Å²	102.9	30%	0.299	57%	0.566	S	S	.	*			trans	-66.9	-25.9	165.3	-67.9	94.7	0	0	0	116.8	M532 P545 A549 L550 F551	M532-W547 HydrophobicContact CE-CH2 3.9Å; P545-W547 PolarHBondContact O-N 3.26Å; W547-A549 PolarHBondContact O-N 2.78Å; W547-A549 VanDerWaalsContact O-N 3.15Å; W547-L550 HydrophobicContact CE3-CB 4.03Å; W547-L550 HydrophobicContact CE3-CD1 3.76Å; W547-L550 HydrophobicContact CE3-CG 4.43Å; W547-L550 HydrophobicContact CH2-CD1 4.36Å; W547-L550 HydrophobicContact CZ3-CB 4.47Å; W547-L550 HydrophobicContact CZ3-CD1 3.62Å; W547-L550 HydrophobicContact CZ3-CG 4.45Å; W547-L550 WeakPolarHBondContact O-CB 3.33Å; W547-L550 PolarHBondContact O-N 2.63Å; W547-F551 HydrophobicContact CB-CD2 4.01Å; W547-F551 HydrophobicContact CB-CE2 3.45Å; W547-F551 VanDerWaalsContact CB-CE2 3.45Å; W547-F551 HydrophobicContact CB-CZ 4.07Å; W547-F551 HydrophobicContact CG-CE2 4.42Å; W547-F551 WeakPolarHBondContact O-CD2 3.13Å; W547-F551 WeakPolarHBondContact O-CG 3.36Å; W547-F551 PolarHBondContact O-N 3.29Å
548	P	35.1	Very low	34	Very low	87 Å²	87	107.4 Å²	107.4	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-52.4	-37.8	175	-28.5	36	0	0	0	113	L550 F551 D552	P548-L550 VanDerWaalsContact C-N 3.3Å; P548-L550 PolarHBondContact O-N 2.88Å; P548-F551 PolarHBondContact O-N 2.71Å; P548-F551 VanDerWaalsContact O-N 3.17Å; P548-D552 PolarHBondContact O-N 2.86Å
549	A	38.4	Very low	33.1	Very low	66 Å²	66	107.4 Å²	107.4	55%	0.545	60%	0.595	S	S	.	*	H	α-helix	trans	-67.5	-26.8	177.6	0	0	0	0	0	114	W547	W547-A549 PolarHBondContact O-N 2.78Å; W547-A549 VanDerWaalsContact O-N 3.15Å
550	L	33.6	Very low	32.1	Very low	79 Å²	79	112 Å²	112	41%	0.414	61%	0.608	S	S	.	*	H	α-helix	trans	-80.2	-34.3	172.9	-105.9	145.1	0	0	0	111	W547 P548 T553	W547-L550 HydrophobicContact CE3-CB 4.03Å; W547-L550 HydrophobicContact CE3-CD1 3.76Å; W547-L550 HydrophobicContact CE3-CG 4.43Å; W547-L550 HydrophobicContact CH2-CD1 4.36Å; W547-L550 HydrophobicContact CZ3-CB 4.47Å; W547-L550 HydrophobicContact CZ3-CD1 3.62Å; W547-L550 HydrophobicContact CZ3-CG 4.45Å; W547-L550 WeakPolarHBondContact O-CB 3.33Å; W547-L550 PolarHBondContact O-N 2.63Å; P548-L550 VanDerWaalsContact C-N 3.3Å; P548-L550 PolarHBondContact O-N 2.88Å; L550-T553 PolarHBondContact O-N 2.8Å; L550-T553 PolarHBondContact O-OG1 3.06Å
551	F	36.5	Very low	31.6	Very low	47 Å²	47	114.6 Å²	114.6	21%	0.206	62%	0.622	C	S	.	*	H	α-helix	trans	-71.7	-34.5	178.1	-63.9	-48.8	0	0	0	113.3	H510 W547 P548 T553 M554	H510-F551 HydrophobicContact CB-CD1 4.25Å; H510-F551 HydrophobicContact CB-CD2 3.92Å; H510-F551 HydrophobicContact CB-CE1 4.18Å; H510-F551 HydrophobicContact CB-CE2 3.79Å; H510-F551 HydrophobicContact CB-CG 4.15Å; H510-F551 HydrophobicContact CB-CZ 3.95Å; W547-F551 HydrophobicContact CB-CD2 4.01Å; W547-F551 HydrophobicContact CB-CE2 3.45Å; W547-F551 VanDerWaalsContact CB-CE2 3.45Å; W547-F551 HydrophobicContact CB-CZ 4.07Å; W547-F551 HydrophobicContact CG-CE2 4.42Å; W547-F551 WeakPolarHBondContact O-CD2 3.13Å; W547-F551 WeakPolarHBondContact O-CG 3.36Å; W547-F551 PolarHBondContact O-N 3.29Å; P548-F551 PolarHBondContact O-N 2.71Å; P548-F551 VanDerWaalsContact O-N 3.17Å; F551-T553 PolarHBondContact O-N 3.5Å; F551-M554 PolarHBondContact O-N 2.86Å
552	D	35.7	Very low	30.9	Very low	133 Å²	133	114 Å²	114	71%	0.711	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-16.7	173	-69.4	-25.2	0	0	0	112.9	P548	P548-D552 PolarHBondContact O-N 2.86Å
553	T	33.9	Very low	30.6	Very low	105 Å²	105	112.3 Å²	112.3	64%	0.644	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-6.4	176.6	54.8	0	0	0	0	115	L550 F551	L550-T553 PolarHBondContact O-N 2.8Å; L550-T553 PolarHBondContact O-OG1 3.06Å; F551-T553 PolarHBondContact O-N 3.5Å
554	M	28.9	Very low	30.1	Very low	82 Å²	82	106.4 Å²	106.4	40%	0.404	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103	-2.6	-171.4	-76.2	-168.5	169.7	0	0	115.6	F551 N556 C557	F551-M554 PolarHBondContact O-N 2.86Å; M554-N556 PolarHBondContact O-N 3Å; M554-C557 PolarHBondContact O-N 2.84Å
555	D	28.4	Very low	29.7	Very low	141 Å²	141	110.6 Å²	110.6	75%	0.754	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-2.8	-176.6	-85.2	-13.6	0	0	0	115.2
556	N	23.8	Very low	29.4	Very low	159 Å²	159	107.8 Å²	107.8	85%	0.85	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	7.9	178.9	-72.7	-33.7	0	0	0	115.6	M554 I558	M554-N556 PolarHBondContact O-N 3Å; N556-I558 PolarHBondContact O-N 2.79Å
557	C	24.5	Very low	29	Very low	112 Å²	112	102.6 Å²	102.6	76%	0.757	57%	0.572	S	S	*	*			trans	-102.7	49	177.9	-64.4	0	0	0	0	112.9	M554	M554-C557 PolarHBondContact O-N 2.84Å
558	I	25.9	Very low	28.6	Very low	169 Å²	169	104.9 Å²	104.9	87%	0.867	59%	0.59	S	S	*	*	S	Bend	trans	-91.3	91	158.6	-57.8	177.4	0	0	0	106.8	N556	N556-I558 PolarHBondContact O-N 2.79Å
559	G	22.4	Very low	28.1	Very low	58 Å²	58	103.1 Å²	103.1	60%	0.598	59%	0.587	S	S	*	*	S	Bend	trans	131.2	132.2	175.7	0	0	0	0	0	111.8
560	Q	21.1	Very low	27.7	Very low	176 Å²	176	101.8 Å²	101.8	82%	0.822	57%	0.574	S	S	*	*			trans	78.4	107	174.2	-55.9	-176.2	-4.7	0	0	115.5	L562	Q560-L562 PolarHBondContact O-N 2.95Å; Q560-L562 VanDerWaalsContact O-N 3.09Å
561	F	26.8	Very low	27.5	Very low	138 Å²	138	100.4 Å²	100.4	61%	0.605	57%	0.571	S	S	*	*			trans	-52.1	103.8	152.3	-64.2	-102	0	0	0	109.2	R530	R530-F561 VanDerWaalsContact NH2-CD1 3.29Å
562	L	23.1	Very low	27.3	Very low	101 Å²	101	103.3 Å²	103.3	53%	0.529	59%	0.585	S	S	.	*			trans	-154.8	137.4	153.7	-95	147.1	0	0	0	106.1	Q560 S564	Q560-L562 PolarHBondContact O-N 2.95Å; Q560-L562 VanDerWaalsContact O-N 3.09Å; L562-S564 PolarHBondContact O-N 3.21Å
563	P	27.8	Very low	27.1	Very low	60 Å²	60	100 Å²	100	39%	0.39	57%	0.567	S	S	.	*			trans	-63.2	129.8	176.3	24.5	-30.3	0	0	0	110.2
564	S	23.9	Very low	27.4	Very low	72 Å²	72	97 Å²	97	50%	0.503	55%	0.547	S	S	.	.			trans	-59.9	133.1	140.9	33	0	0	0	0	106.2	E531 L562	E531-S564 PolarHBondContact OE1-OG 3.46Å; L562-S564 PolarHBondContact O-N 3.21Å
565	E	25.1	Very low	27.9	Very low	175 Å²	175	96.5 Å²	96.5	82%	0.818	55%	0.549	S	S	*	.			trans	-35.3	124	-172.3	-67.4	170.1	156.2	0	0	111.9	T567	E565-T567 PolarHBondContact O-N 3.07Å
566	P	28	Very low	28.5	Very low	47 Å²	47	90.7 Å²	90.7	31%	0.305	52%	0.518	S	S	.	.			trans	-55.6	120.8	172.6	20.4	-27.9	0	0	0	107.1	D568 C570	P566-D568 PolarHBondContact O-N 3.22Å; P566-D568 VanDerWaalsContact O-N 3.16Å; P566-C570 HydrophobicContact CB-CB 3.89Å
567	T	29.3	Very low	29.6	Very low	69 Å²	69	86.4 Å²	86.4	42%	0.423	51%	0.511	S	S	.	.			trans	-39.7	127.7	174.5	36.8	0	0	0	0	108.6	E531 E565 G569 C570	E531-T567 PolarHBondContact O-OG1 3.15Å; E531-T567 VanDerWaalsContact O-OG1 3.09Å; E565-T567 PolarHBondContact O-N 3.07Å; T567-G569 PolarHBondContact O-N 2.8Å; T567-C570 PolarHBondContact O-N 2.58Å
568	D	29.1	Very low	30.3	Very low	126 Å²	126	88.2 Å²	88.2	67%	0.674	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-32.7	-43.3	-160.7	-72.9	-43.9	0	0	0	114.7	P566 C570 S571 H572	P566-D568 PolarHBondContact O-N 3.22Å; P566-D568 VanDerWaalsContact O-N 3.16Å; D568-C570 PolarHBondContact O-N 2.84Å; D568-S571 PolarHBondContact O-N 3.09Å; D568-S571 VanDerWaalsContact O-N 3.13Å; D568-S571 PolarHBondContact O-OG 2.79Å; D568-H572 VanDerWaalsContact C-CE1 3.41Å; D568-H572 PolarHBondContact O-CD2 3.08Å; D568-H572 PolarHBondContact O-CE1 3.19Å; D568-H572 PolarHBondContact O-ND1 3.5Å; D568-H572 PolarHBondContact O-NE2 3.45Å
569	G	25.1	Very low	31.6	Very low	50 Å²	50	81.7 Å²	81.7	52%	0.515	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-53.1	-22.3	178.3	0	0	0	0	0	117.9	T567	T567-G569 PolarHBondContact O-N 2.8Å
570	C	28.9	Very low	33.1	Very low	39 Å²	39	80 Å²	80	26%	0.264	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-97.3	-25.2	178.9	-71.9	0	0	0	0	113.6	P566 T567 D568 H572 L573	P566-C570 HydrophobicContact CB-CB 3.89Å; T567-C570 PolarHBondContact O-N 2.58Å; D568-C570 PolarHBondContact O-N 2.84Å; C570-H572 VanDerWaalsContact C-N 3.32Å; C570-H572 PolarHBondContact O-N 3.1Å; C570-L573 PolarHBondContact O-N 2.74Å
571	S	28.8	Very low	34.8	Very low	50 Å²	50	75.3 Å²	75.3	35%	0.35	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-67.3	-35.5	179.4	66.7	0	0	0	0	111.6	D568 L573 I574	D568-S571 PolarHBondContact O-N 3.09Å; D568-S571 VanDerWaalsContact O-N 3.13Å; D568-S571 PolarHBondContact O-OG 2.79Å; S571-L573 PolarHBondContact O-N 2.71Å; S571-I574 PolarHBondContact O-N 3.45Å
572	H	31.9	Very low	36.6	Very low	107 Å²	107	70 Å²	70	50%	0.495	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-69.5	-22.8	180	-32.2	-42.1	0	0	0	113.1	D568 C570	D568-H572 VanDerWaalsContact C-CE1 3.41Å; D568-H572 PolarHBondContact O-CD2 3.08Å; D568-H572 PolarHBondContact O-CE1 3.19Å; D568-H572 PolarHBondContact O-ND1 3.5Å; D568-H572 PolarHBondContact O-NE2 3.45Å; C570-H572 VanDerWaalsContact C-N 3.32Å; C570-H572 PolarHBondContact O-N 3.1Å
573	L	32.2	Very low	38.6	Very low	65 Å²	65	66 Å²	66	34%	0.34	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-84.5	-10.9	-178.8	-66.6	175.1	0	0	0	112.3	C570 S571 R612	C570-L573 PolarHBondContact O-N 2.74Å; S571-L573 PolarHBondContact O-N 2.71Å; L573-R612 HydrophobicContact CD2-CB 4.44Å; L573-R612 PolarHBondContact O-NH1 3.23Å
574	I	40.4	Very low	40.4	Very low	42 Å²	42	65.9 Å²	65.9	22%	0.215	39%	0.394	C	S	.	.			trans	-141.6	105.1	-171.1	-51.3	179.6	0	0	0	109.2	S571 L576 L581	S571-I574 PolarHBondContact O-N 3.45Å; I574-L576 HydrophobicContact CG2-CB 4.23Å; I574-L576 HydrophobicContact CG2-CD1 3.95Å; I574-L576 HydrophobicContact CG2-CG 4.22Å; I574-L576 PolarHBondContact O-N 2.63Å; I574-L581 HydrophobicContact CD1-CD1 3.49Å; I574-L581 VanDerWaalsContact CD1-CD1 3.49Å; I574-L581 HydrophobicContact CG2-CD1 4.38Å; I574-L581 HydrophobicContact CG2-CD2 4.13Å
575	P	39.3	Very low	42.4	Very low	70 Å²	70	64.4 Å²	64.4	46%	0.455	38%	0.381	S	S	.	.			trans	-76.6	17	-171.3	30.8	-32.9	0	0	0	114.8	G577 E603	P575-G577 VanDerWaalsContact C-N 3.29Å; P575-G577 PolarHBondContact O-N 3.29Å; P575-E603 WeakPolarHBondContact CD-OE1 3.43Å; P575-E603 WeakPolarHBondContact CD-OE2 3.48Å; P575-E603 VanDerWaalsContact CG-CD 3.43Å; P575-E603 WeakPolarHBondContact CG-OE1 3.28Å; P575-E603 VanDerWaalsContact CG-OE2 3.23Å; P575-E603 WeakPolarHBondContact CG-OE2 3.19Å
576	L	42.2	Very low	44.2	Very low	20 Å²	20	59.7 Å²	59.7	11%	0.105	36%	0.358	C	S	.	.			trans	-82.9	6.8	-172.5	-70.2	165.8	0	0	0	115.3	L221 I574 Q579 L581 C595 T597 E603	L221-L576 HydrophobicContact CD2-CD2 4.35Å; I574-L576 HydrophobicContact CG2-CB 4.23Å; I574-L576 HydrophobicContact CG2-CD1 3.95Å; I574-L576 HydrophobicContact CG2-CG 4.22Å; I574-L576 PolarHBondContact O-N 2.63Å; L576-Q579 PolarHBondContact O-N 2.86Å; L576-L581 HydrophobicContact CD1-CD2 3.86Å; L576-C595 VanDerWaalsContact CD1-SG 3.55Å; L576-T597 HydrophobicContact CB-CG2 4.38Å; L576-T597 HydrophobicContact CD1-CG2 3.65Å; L576-T597 HydrophobicContact CD2-CG2 4.16Å; L576-T597 HydrophobicContact CG-CG2 4.29Å; L576-E603 HydrophobicContact CD1-CB 4.41Å; L576-E603 HydrophobicContact CD2-CB 4.44Å; L576-E603 WeakPolarHBondContact CG-OE2 3.41Å
577	G	45.2	Very low	45.8	Very low	68 Å²	68	58 Å²	58	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-138.8	178	0	0	0	0	0	113	P575 Q579	P575-G577 VanDerWaalsContact C-N 3.29Å; P575-G577 PolarHBondContact O-N 3.29Å; G577-Q579 PolarHBondContact O-N 3.15Å; G577-Q579 VanDerWaalsContact O-N 3.15Å
578	I	40.5	Very low	47	Very low	150 Å²	150	61.2 Å²	61.2	77%	0.769	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	10.8	-174.8	-48.3	169.3	0	0	0	112.7
579	Q	51.7	Low	48.2	Very low	33 Å²	33	57.3 Å²	57.3	15%	0.154	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-79	140	-179.7	-64.1	-171	6.2	0	0	112	L576 G577 L581 T597	L576-Q579 PolarHBondContact O-N 2.86Å; G577-Q579 PolarHBondContact O-N 3.15Å; G577-Q579 VanDerWaalsContact O-N 3.15Å; Q579-L581 PolarHBondContact O-N 3.37Å; Q579-T597 HydrophobicContact CB-CG2 3.89Å; Q579-T597 PolarHBondContact OE1-OG1 3.48Å
580	S	54.2	Low	49.8	Very low	23 Å²	23	55.7 Å²	55.7	16%	0.161	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-75.7	121.3	178.5	-66.6	0	0	0	0	110.1	T597 D598	S580-T597 WeakPolarHBondContact O-CA 3.4Å; S580-D598 PolarHBondContact O-N 3.09Å; S580-D598 VanDerWaalsContact O-N 3.07Å
581	L	57.9	Low	51.1	Low	76 Å²	76	56 Å²	56	40%	0.398	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.4	170.5	-66.7	172.8	0	0	0	110.5	I574 L576 Q579 C595 S596	I574-L581 HydrophobicContact CD1-CD1 3.49Å; I574-L581 VanDerWaalsContact CD1-CD1 3.49Å; I574-L581 HydrophobicContact CG2-CD1 4.38Å; I574-L581 HydrophobicContact CG2-CD2 4.13Å; L576-L581 HydrophobicContact CD1-CD2 3.86Å; Q579-L581 PolarHBondContact O-N 3.37Å; L581-C595 HydrophobicContact CD2-CB 4Å; L581-S596 CarbonylContact C-O 3.52Å; L581-S596 WeakPolarHBondContact CA-O 3.3Å
582	T	63.7	Low	52.5	Low	28 Å²	28	53.7 Å²	53.7	17%	0.172	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-30.6	-179.2	52.5	0	0	0	0	113.8	V228 R515 S596 T597 D598	V228-T582 WeakPolarHBondContact O-CB 3.07Å; V228-T582 PolarHBondContact O-OG1 2.9Å; R515-T582 PolarHBondContact NH1-O 3.46Å; T582-S596 PolarHBondContact N-O 3.04Å; T582-S596 PolarHBondContact OG1-O 2.78Å; T582-S596 PolarHBondContact OG1-OG 2.74Å; T582-T597 PolarHBondContact OG1-O 2.93Å; T582-D598 VanDerWaalsContact CG2-CA 3.45Å; T582-D598 HydrophobicContact CG2-CB 3.79Å
583	S	65.1	Low	53.9	Low	15 Å²	15	50.3 Å²	50.3	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148	179.3	-173.7	0	0	0	0	109.2	L231 C595 S596	L231-S583 PolarHBondContact N-OG 2.91Å; S583-C595 WeakPolarHBondContact O-CA 3.42Å; S583-S596 WeakPolarHBondContact CB-OG 3.28Å; S583-S596 PolarHBondContact N-OG 2.84Å; S583-S596 PolarHBondContact O-N 3.38Å; S583-S596 PolarHBondContact O-OG 3.48Å
584	V	65.8	Low	55.5	Low	58 Å²	58	47.2 Å²	47.2	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.2	175.6	176.9	0	0	0	0	106.7	L593 V594 C595	V584-L593 HydrophobicContact CG1-CD1 3.52Å; V584-V594 WeakPolarHBondContact CA-O 3.2Å; V584-C595 HydrophobicContact CG2-CB 4.19Å
585	D	66.5	Low	56.8	Low	42 Å²	42	45.2 Å²	45.2	23%	0.225	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.8	168.6	-170.5	24.9	0	0	0	109.6	L231 S232 W233 V594	L231-D585 HydrophobicContact CB-CB 4.28Å; S232-D585 WeakPolarHBondContact CA-OD2 3.2Å; W233-D585 PolarHBondContact N-OD2 3.08Å; D585-V594 HydrophobicContact CB-CG1 3.8Å; D585-V594 PolarHBondContact N-O 3.03Å; D585-V594 WeakPolarHBondContact O-CG1 3.27Å; D585-V594 PolarHBondContact O-N 2.96Å
586	F	62.7	Low	58.2	Low	76 Å²	76	41.9 Å²	41.9	33%	0.333	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.1	179.9	178.8	-103.9	0	0	0	109.5	D588 A592 L593 V609	F586-D588 VanDerWaalsContact CE1-OD1 3.22Å; F586-D588 WeakPolarHBondContact CE1-OD1 3.41Å; F586-A592 WeakPolarHBondContact CD2-O 3.39Å; F586-L593 HydrophobicContact CB-CD1 4.29Å; F586-L593 HydrophobicContact CD2-CB 4.3Å; F586-L593 HydrophobicContact CD2-CD1 4.34Å; F586-V609 HydrophobicContact CE2-CG2 4.32Å
587	S	60.5	Low	59.3	Low	11 Å²	11	40.9 Å²	40.9	8%	0.077	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107	174.6	179.4	0	0	0	0	110.1	S589 L590 N591 A592	S587-S589 PolarHBondContact O-N 3.24Å; S587-S589 PolarHBondContact OG-OG 3.44Å; S587-S589 VanDerWaalsContact OG-OG 3.08Å; S587-L590 PolarHBondContact O-N 3.46Å; S587-L590 VanDerWaalsContact O-N 3.16Å; S587-L590 VanDerWaalsContact OG-CG 3.26Å; S587-L590 WeakPolarHBondContact OG-CG 3.43Å; S587-L590 PolarHBondContact OG-N 3.4Å; S587-N591 WeakPolarHBondContact O-CA 3.49Å; S587-N591 PolarHBondContact O-N 2.91Å; S587-A592 PolarHBondContact N-O 3.17Å; S587-A592 PolarHBondContact O-N 3.15Å
588	D	55.2	Low	60.2	Low	136 Å²	136	40.6 Å²	40.6	73%	0.727	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.3	172.8	-75	-38.2	0	0	0	111.5	F586	F586-D588 VanDerWaalsContact CE1-OD1 3.22Å; F586-D588 WeakPolarHBondContact CE1-OD1 3.41Å
589	S	55	Low	61.4	Low	45 Å²	45	39.4 Å²	39.4	32%	0.315	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.9	-177.2	48.4	0	0	0	0	114.2	L289 S587	L289-S589 WeakPolarHBondContact CD1-O 3.32Å; L289-S589 VanDerWaalsContact CD2-O 3.24Å; L289-S589 WeakPolarHBondContact CD2-O 3.42Å; L289-S589 WeakPolarHBondContact CG-O 3.32Å; S587-S589 PolarHBondContact O-N 3.24Å; S587-S589 PolarHBondContact OG-OG 3.44Å; S587-S589 VanDerWaalsContact OG-OG 3.08Å
590	L	57.8	Low	62.3	Low	16 Å²	16	37.8 Å²	37.8	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-13.9	178.8	-57.6	175.4	0	0	0	111.8	W233 S252 L287 S587 A592	W233-L590 HydrophobicContact CD2-CD1 4.05Å; W233-L590 HydrophobicContact CE3-CD1 3.82Å; W233-L590 HydrophobicContact CZ3-CD1 4.24Å; S252-L590 WeakPolarHBondContact OG-CD1 3.41Å; S252-L590 VanDerWaalsContact OG-CD2 3.24Å; S252-L590 WeakPolarHBondContact OG-CD2 3.29Å; L287-L590 HydrophobicContact CB-CD2 4.25Å; L287-L590 HydrophobicContact CD1-CD1 4.32Å; S587-L590 PolarHBondContact O-N 3.46Å; S587-L590 VanDerWaalsContact O-N 3.16Å; S587-L590 VanDerWaalsContact OG-CG 3.26Å; S587-L590 WeakPolarHBondContact OG-CG 3.43Å; S587-L590 PolarHBondContact OG-N 3.4Å; L590-A592 HydrophobicContact CB-CB 3.88Å; L590-A592 PolarHBondContact O-N 2.86Å
591	N	56.2	Low	63.3	Low	46 Å²	46	37.8 Å²	37.8	25%	0.246	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	38.5	-168.8	-166.1	21.6	0	0	0	111.6	L289 S587 S608	L289-N591 HydrophobicContact CD2-CB 3.56Å; S587-N591 WeakPolarHBondContact O-CA 3.49Å; S587-N591 PolarHBondContact O-N 2.91Å; N591-S608 VanDerWaalsContact ND2-CA 3.34Å; N591-S608 WeakPolarHBondContact ND2-CA 3.34Å; N591-S608 WeakPolarHBondContact ND2-CB 3.21Å
592	A	58.8	Low	64.1	Low	1 Å²	1	34.1 Å²	34.1	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.8	-174.8	0	0	0	0	0	109.4	F586 S587 L590 I605	F586-A592 WeakPolarHBondContact CD2-O 3.39Å; S587-A592 PolarHBondContact N-O 3.17Å; S587-A592 PolarHBondContact O-N 3.15Å; L590-A592 HydrophobicContact CB-CB 3.88Å; L590-A592 PolarHBondContact O-N 2.86Å; A592-I605 WeakPolarHBondContact CA-O 3.43Å
593	L	61.6	Low	64.3	Low	35 Å²	35	33.7 Å²	33.7	18%	0.183	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.7	173.2	-179.5	69.3	0	0	0	107.9	V584 F586 I605	V584-L593 HydrophobicContact CG1-CD1 3.52Å; F586-L593 HydrophobicContact CB-CD1 4.29Å; F586-L593 HydrophobicContact CD2-CB 4.3Å; F586-L593 HydrophobicContact CD2-CD1 4.34Å; L593-I605 HydrophobicContact CB-CB 4.2Å; L593-I605 HydrophobicContact CB-CG2 4.33Å; L593-I605 HydrophobicContact CD2-CD1 4.24Å; L593-I605 PolarHBondContact N-O 3.48Å; L593-I605 CarbonylContact O-C 3.52Å; L593-I605 WeakPolarHBondContact O-CA 3.15Å; L593-I605 VanDerWaalsContact O-CB 3.31Å; L593-I605 WeakPolarHBondContact O-CB 3.48Å; L593-I605 PolarHBondContact O-N 2.73Å; L593-I605 VanDerWaalsContact O-O 3.05Å
594	V	66.2	Low	64.3	Low	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.6	168.6	65.5	0	0	0	0	108.8	L231 W233 L254 V584 D585 I602 V604	L231-V594 HydrophobicContact CB-CG1 4.46Å; L231-V594 HydrophobicContact CD1-CG1 4.04Å; L231-V594 HydrophobicContact CD1-CG2 4.12Å; W233-V594 HydrophobicContact CZ2-CB 4.12Å; W233-V594 HydrophobicContact CZ2-CG1 4.38Å; W233-V594 VanDerWaalsContact NE1-CG1 3.3Å; L254-V594 HydrophobicContact CD1-CG1 4.02Å; L254-V594 HydrophobicContact CD2-CG2 3.93Å; V584-V594 WeakPolarHBondContact CA-O 3.2Å; D585-V594 HydrophobicContact CB-CG1 3.8Å; D585-V594 PolarHBondContact N-O 3.03Å; D585-V594 WeakPolarHBondContact O-CG1 3.27Å; D585-V594 PolarHBondContact O-N 2.96Å; V594-I602 HydrophobicContact CG2-CG2 3.35Å; V594-V604 HydrophobicContact CG2-CG2 4.06Å
595	C	66.2	Low	63.9	Low	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.3	176.6	58.8	0	0	0	0	110.4	L576 L581 S583 V584 I602 E603	L576-C595 VanDerWaalsContact CD1-SG 3.55Å; L581-C595 HydrophobicContact CD2-CB 4Å; S583-C595 WeakPolarHBondContact O-CA 3.42Å; V584-C595 HydrophobicContact CG2-CB 4.19Å; C595-I602 WeakPolarHBondContact O-CA 3.38Å; C595-E603 PolarHBondContact N-O 2.96Å; C595-E603 VanDerWaalsContact N-O 3.13Å; C595-E603 PolarHBondContact O-N 3.14Å
596	S	68.7	Low	63.2	Low	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.2	175.4	66.1	0	0	0	0	113.2	V228 L581 T582 S583 R601	V228-S596 WeakPolarHBondContact CG1-OG 3.04Å; L581-S596 CarbonylContact C-O 3.52Å; L581-S596 WeakPolarHBondContact CA-O 3.3Å; T582-S596 PolarHBondContact N-O 3.04Å; T582-S596 PolarHBondContact OG1-O 2.78Å; T582-S596 PolarHBondContact OG1-OG 2.74Å; S583-S596 WeakPolarHBondContact CB-OG 3.28Å; S583-S596 PolarHBondContact N-OG 2.84Å; S583-S596 PolarHBondContact O-N 3.38Å; S583-S596 PolarHBondContact O-OG 3.48Å; S596-R601 CarbonylContact C-O 3.45Å; S596-R601 WeakPolarHBondContact CA-O 3.17Å; S596-R601 WeakPolarHBondContact CB-O 3.34Å
597	T	66.5	Low	62.6	Low	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	164.1	178.5	73.2	0	0	0	0	113.7	L576 Q579 S580 T582 R599 G600 R601	L576-T597 HydrophobicContact CB-CG2 4.38Å; L576-T597 HydrophobicContact CD1-CG2 3.65Å; L576-T597 HydrophobicContact CD2-CG2 4.16Å; L576-T597 HydrophobicContact CG-CG2 4.29Å; Q579-T597 HydrophobicContact CB-CG2 3.89Å; Q579-T597 PolarHBondContact OE1-OG1 3.48Å; S580-T597 WeakPolarHBondContact O-CA 3.4Å; T582-T597 PolarHBondContact OG1-O 2.93Å; T597-R599 PolarHBondContact O-N 3.07Å; T597-R599 VanDerWaalsContact O-N 3.15Å; T597-R599 PolarHBondContact OG1-N 2.67Å; T597-G600 PolarHBondContact O-N 3.5Å; T597-R601 PolarHBondContact N-O 2.84Å; T597-R601 PolarHBondContact OG1-N 3.26Å
598	D	62.6	Low	61.8	Low	62 Å²	62	29.5 Å²	29.5	33%	0.332	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.8	171.3	63.6	-15.6	0	0	0	113.7	A227 S580 T582	A227-D598 WeakPolarHBondContact CA-O 3.38Å; A227-D598 VanDerWaalsContact CB-O 3.28Å; A227-D598 WeakPolarHBondContact CB-O 3.41Å; S580-D598 PolarHBondContact O-N 3.09Å; S580-D598 VanDerWaalsContact O-N 3.07Å; T582-D598 VanDerWaalsContact CG2-CA 3.45Å; T582-D598 HydrophobicContact CG2-CB 3.79Å
599	R	67.7	Low	61.2	Low	124 Å²	124	26.5 Å²	26.5	47%	0.468	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	8.1	175.9	-65.2	-176.9	-179.8	-174.5	1.3	113.9	P198 Y223 T597	P198-R599 HydrophobicContact CG-CB 4.32Å; P198-R599 HydrophobicContact CG-CG 4.45Å; Y223-R599 WeakPolarHBondContact CE2-O 3.18Å; T597-R599 PolarHBondContact O-N 3.07Å; T597-R599 VanDerWaalsContact O-N 3.15Å; T597-R599 PolarHBondContact OG1-N 2.67Å
600	G	69.4	Low	60.3	Low	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	80.7	17.6	174.7	0	0	0	0	0	116.1	Y223 A224 G226 T597	Y223-G600 WeakPolarHBondContact CD2-O 3.46Å; A224-G600 PolarHBondContact N-O 3.4Å; G226-G600 WeakPolarHBondContact O-CA 2.82Å; G226-G600 PolarHBondContact O-N 3.23Å; T597-G600 PolarHBondContact O-N 3.5Å
601	R	74.9	Confident	59.4	Low	22 Å²	22	37 Å²	37	8%	0.083	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.4	175	-57.5	-179	-179.2	179.7	-2.5	108.8	P198 I222 S596 T597	P198-R601 PolarHBondContact O-NH2 3.1Å; I222-R601 WeakPolarHBondContact O-CA 3.31Å; S596-R601 CarbonylContact C-O 3.45Å; S596-R601 WeakPolarHBondContact CA-O 3.17Å; S596-R601 WeakPolarHBondContact CB-O 3.34Å; T597-R601 PolarHBondContact N-O 2.84Å; T597-R601 PolarHBondContact OG1-N 3.26Å
602	I	74.8	Confident	58.6	Low	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123	172	-53.7	173.1	0	0	0	106.3	I222 A224 V228 L231 L254 T256 V594 C595	I222-I602 HydrophobicContact CB-CB 4.15Å; I222-I602 PolarHBondContact N-O 3.18Å; I222-I602 PolarHBondContact O-N 3.02Å; A224-I602 HydrophobicContact CB-CD1 3.87Å; A224-I602 HydrophobicContact CB-CG1 4.46Å; V228-I602 HydrophobicContact CG1-CD1 4.41Å; V228-I602 HydrophobicContact CG2-CD1 3.95Å; V228-I602 HydrophobicContact CG2-CG1 3.85Å; L231-I602 HydrophobicContact CD2-CD1 3.82Å; L231-I602 HydrophobicContact CD2-CG1 4.3Å; L231-I602 HydrophobicContact CD2-CG2 4.28Å; L254-I602 HydrophobicContact CD2-CG2 4.17Å; T256-I602 HydrophobicContact CG2-CD1 3.48Å; T256-I602 VanDerWaalsContact CG2-CD1 3.48Å; V594-I602 HydrophobicContact CG2-CG2 3.35Å; C595-I602 WeakPolarHBondContact O-CA 3.38Å
603	E	68.2	Low	57.8	Low	18 Å²	18	44.9 Å²	44.9	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122	171.8	-167.9	-170	157.8	0	0	108.1	L221 P575 L576 C595 I605	L221-E603 HydrophobicContact CD2-CB 4.19Å; L221-E603 HydrophobicContact CD2-CG 4.33Å; P575-E603 WeakPolarHBondContact CD-OE1 3.43Å; P575-E603 WeakPolarHBondContact CD-OE2 3.48Å; P575-E603 VanDerWaalsContact CG-CD 3.43Å; P575-E603 WeakPolarHBondContact CG-OE1 3.28Å; P575-E603 VanDerWaalsContact CG-OE2 3.23Å; P575-E603 WeakPolarHBondContact CG-OE2 3.19Å; L576-E603 HydrophobicContact CD1-CB 4.41Å; L576-E603 HydrophobicContact CD2-CB 4.44Å; L576-E603 WeakPolarHBondContact CG-OE2 3.41Å; C595-E603 PolarHBondContact N-O 2.96Å; C595-E603 VanDerWaalsContact N-O 3.13Å; C595-E603 PolarHBondContact O-N 3.14Å; E603-I605 HydrophobicContact CG-CG1 4.08Å; E603-I605 WeakPolarHBondContact OE1-CG1 3.42Å
604	V	63.9	Low	56.5	Low	6 Å²	6	48.1 Å²	48.1	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.5	173.5	179.7	0	0	0	0	107.7	I222 W233 L296 V594	I222-V604 HydrophobicContact CD1-CG2 3.89Å; W233-V604 HydrophobicContact CH2-CG1 4.19Å; W233-V604 HydrophobicContact CZ2-CG1 4.08Å; L296-V604 HydrophobicContact CD1-CB 4.23Å; L296-V604 HydrophobicContact CD1-CG1 3.8Å; L296-V604 HydrophobicContact CD2-CB 3.81Å; L296-V604 HydrophobicContact CD2-CG1 4.15Å; V594-V604 HydrophobicContact CG2-CG2 4.06Å
605	I	58.9	Low	55	Low	6 Å²	6	51 Å²	51	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.5	179.2	-66.2	163.9	0	0	0	107.6	A592 L593 E603 E607	A592-I605 WeakPolarHBondContact CA-O 3.43Å; L593-I605 HydrophobicContact CB-CB 4.2Å; L593-I605 HydrophobicContact CB-CG2 4.33Å; L593-I605 HydrophobicContact CD2-CD1 4.24Å; L593-I605 PolarHBondContact N-O 3.48Å; L593-I605 CarbonylContact O-C 3.52Å; L593-I605 WeakPolarHBondContact O-CA 3.15Å; L593-I605 VanDerWaalsContact O-CB 3.31Å; L593-I605 WeakPolarHBondContact O-CB 3.48Å; L593-I605 PolarHBondContact O-N 2.73Å; L593-I605 VanDerWaalsContact O-O 3.05Å; E603-I605 HydrophobicContact CG-CG1 4.08Å; E603-I605 WeakPolarHBondContact OE1-CG1 3.42Å; I605-E607 VanDerWaalsContact C-N 3.27Å; I605-E607 HydrophobicContact CG2-CB 4.41Å; I605-E607 PolarHBondContact O-N 3.29Å
606	A	51.7	Low	53.7	Low	25 Å²	25	57 Å²	57	21%	0.207	29%	0.292	C	S	.	.			trans	-91.7	44.9	176.9	0	0	0	0	0	112.1	L287	L287-A606 HydrophobicContact CD2-CB 4.44Å
607	E	49.5	Very low	52	Low	53 Å²	53	61.5 Å²	61.5	25%	0.248	32%	0.323	C	S	.	.	S	Bend	trans	-117	138.2	175.1	-75.5	-179.8	163.8	0	0	111	I605 V609 R612 R618	I605-E607 VanDerWaalsContact C-N 3.27Å; I605-E607 HydrophobicContact CG2-CB 4.41Å; I605-E607 PolarHBondContact O-N 3.29Å; E607-V609 PolarHBondContact O-N 3.28Å; E607-R612 HydrophobicContact CB-CG 4.31Å; E607-R612 WeakPolarHBondContact OE2-CG 3.34Å; E607-R612 IonicContact OE2-CZ 2.93Å; E607-R612 IonicContact OE2-NE 3.04Å; E607-R612 PolarHBondContact OE2-NE 3.46Å; E607-R612 IonicContact OE2-NH2 3.72Å; E607-R618 IonicContact OE2-NH2 3.5Å
608	S	44.2	Very low	50.4	Low	24 Å²	24	65.8 Å²	65.8	17%	0.168	34%	0.339	C	S	.	.			trans	-56.6	134.4	168.7	69.1	0	0	0	0	110.1	N591 E610 K611 R612	N591-S608 VanDerWaalsContact ND2-CA 3.34Å; N591-S608 WeakPolarHBondContact ND2-CA 3.34Å; N591-S608 WeakPolarHBondContact ND2-CB 3.21Å; S608-E610 PolarHBondContact O-N 3.04Å; S608-K611 PolarHBondContact O-N 2.86Å; S608-K611 VanDerWaalsContact O-N 3.08Å; S608-K611 VanDerWaalsContact OG-CB 3.24Å; S608-K611 WeakPolarHBondContact OG-CB 3.48Å; S608-K611 VanDerWaalsContact OG-CG 3.29Å; S608-K611 WeakPolarHBondContact OG-CG 3.45Å; S608-K611 PolarHBondContact OG-N 3.38Å; S608-R612 PolarHBondContact O-N 2.99Å
609	V	42.1	Very low	48.7	Very low	74 Å²	74	67.1 Å²	67.1	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-52.6	-30	173.6	-179.7	0	0	0	0	111.5	F586 E607 K613	F586-V609 HydrophobicContact CE2-CG2 4.32Å; E607-V609 PolarHBondContact O-N 3.28Å; V609-K613 PolarHBondContact O-N 2.7Å
610	E	37.2	Very low	46.8	Very low	160 Å²	160	69 Å²	69	75%	0.748	36%	0.363	S	S	*	.	H	α-helix	trans	-68.4	-49.5	176.2	-67	-173.5	166.8	0	0	113.5	S608 R612 K613	S608-E610 PolarHBondContact O-N 3.04Å; E610-R612 PolarHBondContact O-N 2.82Å; E610-K613 PolarHBondContact O-N 2.88Å; E610-K613 VanDerWaalsContact O-N 3.13Å
611	K	37.9	Very low	44.6	Very low	122 Å²	122	78.2 Å²	78.2	53%	0.53	40%	0.399	S	S	.	.	H	α-helix	trans	-55.3	-37	175.9	-82.4	-177.1	176.6	-177.9	0	112.3	S608 K613 C614 D615	S608-K611 PolarHBondContact O-N 2.86Å; S608-K611 VanDerWaalsContact O-N 3.08Å; S608-K611 VanDerWaalsContact OG-CB 3.24Å; S608-K611 WeakPolarHBondContact OG-CB 3.48Å; S608-K611 VanDerWaalsContact OG-CG 3.29Å; S608-K611 WeakPolarHBondContact OG-CG 3.45Å; S608-K611 PolarHBondContact OG-N 3.38Å; K611-K613 PolarHBondContact O-N 3.08Å; K611-C614 CarbonylContact O-C 3.42Å; K611-C614 WeakPolarHBondContact O-CA 3.4Å; K611-C614 PolarHBondContact O-N 2.83Å; K611-D615 PolarHBondContact O-N 3.44Å
612	R	39.6	Very low	42.2	Very low	32 Å²	32	81.3 Å²	81.3	12%	0.121	42%	0.416	C	S	.	.	H	α-helix	trans	-68.1	-31.5	178.7	-81.2	-175.8	167	-162.3	-12	115	L573 E607 S608 E610 C614	L573-R612 HydrophobicContact CD2-CB 4.44Å; L573-R612 PolarHBondContact O-NH1 3.23Å; E607-R612 HydrophobicContact CB-CG 4.31Å; E607-R612 WeakPolarHBondContact OE2-CG 3.34Å; E607-R612 IonicContact OE2-CZ 2.93Å; E607-R612 IonicContact OE2-NE 3.04Å; E607-R612 PolarHBondContact OE2-NE 3.46Å; E607-R612 IonicContact OE2-NH2 3.72Å; S608-R612 PolarHBondContact O-N 2.99Å; E610-R612 PolarHBondContact O-N 2.82Å; R612-C614 PolarHBondContact O-N 3.28Å
613	K	41.5	Very low	39.8	Very low	179 Å²	179	86 Å²	86	78%	0.778	45%	0.447	S	S	*	.	H	α-helix	trans	-65	-19.2	170.5	-74.8	-174.8	176.7	179	0	112.1	V609 E610 K611	V609-K613 PolarHBondContact O-N 2.7Å; E610-K613 PolarHBondContact O-N 2.88Å; E610-K613 VanDerWaalsContact O-N 3.13Å; K611-K613 PolarHBondContact O-N 3.08Å
614	C	34.4	Very low	37.8	Very low	103 Å²	103	93 Å²	93	70%	0.696	48%	0.479	S	S	*	.	S	Bend	trans	-116.8	0.3	-169	-64.7	0	0	0	0	114.5	K611 R612 P616	K611-C614 CarbonylContact O-C 3.42Å; K611-C614 WeakPolarHBondContact O-CA 3.4Å; K611-C614 PolarHBondContact O-N 2.83Å; R612-C614 PolarHBondContact O-N 3.28Å; C614-P616 WeakPolarHBondContact O-CD 3.14Å
615	D	35.3	Very low	35.8	Very low	60 Å²	60	99.7 Å²	99.7	32%	0.321	52%	0.515	S	S	.	.			trans	-88.2	106.7	-179.8	-172.6	-1.4	0	0	0	111	K611 S617	K611-D615 PolarHBondContact O-N 3.44Å; D615-S617 VanDerWaalsContact C-N 3.3Å; D615-S617 WeakPolarHBondContact OD1-CB 3.45Å; D615-S617 PolarHBondContact OD1-N 3.08Å; D615-S617 PolarHBondContact OD1-OG 3.19Å; D615-S617 PolarHBondContact OD2-OG 3.34Å
616	P	38	Very low	34.1	Very low	127 Å²	127	105.1 Å²	105.1	83%	0.825	54%	0.544	S	S	*	.			trans	-80.1	-9.4	178.8	34.7	-36.2	0	0	0	113.3	C614	C614-P616 WeakPolarHBondContact O-CD 3.14Å
617	S	33.2	Very low	32.8	Very low	95 Å²	95	112 Å²	112	66%	0.664	57%	0.572	S	S	*	*			trans	-84.2	-15.7	-172.5	71.5	0	0	0	0	114.1	D615 P619	D615-S617 VanDerWaalsContact C-N 3.3Å; D615-S617 WeakPolarHBondContact OD1-CB 3.45Å; D615-S617 PolarHBondContact OD1-N 3.08Å; D615-S617 PolarHBondContact OD1-OG 3.19Å; D615-S617 PolarHBondContact OD2-OG 3.34Å; S617-P619 WeakPolarHBondContact O-CD 3.43Å
618	R	32.7	Very low	31.5	Very low	90 Å²	90	120.9 Å²	120.9	34%	0.34	60%	0.603	S	S	.	*	S	Bend	trans	-72.5	121	168.1	-77	-173.9	175.9	-144.3	-7.4	108	E607 K620	E607-R618 IonicContact OE2-NH2 3.5Å; R618-K620 PolarHBondContact O-N 2.61Å
619	P	28.3	Very low	30.4	Very low	90 Å²	90	125.5 Å²	125.5	58%	0.584	63%	0.625	S	S	*	*			trans	-54.7	118.5	173.9	22	-29.8	0	0	0	106.6	S617 Y621	S617-P619 WeakPolarHBondContact O-CD 3.43Å; P619-Y621 HydrophobicContact CG-CD2 4.44Å; P619-Y621 HydrophobicContact CG-CE2 4.1Å; P619-Y621 PolarHBondContact O-N 3.09Å
620	K	26.6	Very low	29.4	Very low	163 Å²	163	129.2 Å²	129.2	71%	0.709	64%	0.637	S	S	*	*			trans	-53.2	105.4	156.8	-74.4	175.9	177.5	177.3	0	103.4	R618 I622	R618-K620 PolarHBondContact O-N 2.61Å; K620-I622 HydrophobicContact CB-CB 4.45Å; K620-I622 HydrophobicContact CB-CD1 3.88Å; K620-I622 HydrophobicContact CB-CG1 3.95Å; K620-I622 HydrophobicContact CD-CD1 3.73Å; K620-I622 HydrophobicContact CG-CD1 4.31Å; K620-I622 PolarHBondContact O-N 3.23Å
621	Y	23.9	Very low	28.6	Very low	193 Å²	193	128.3 Å²	128.3	76%	0.757	64%	0.637	S	S	*	*			trans	-68.2	58.1	162.7	-80.2	-88.5	0	0	0	107.6	P619	P619-Y621 HydrophobicContact CG-CD2 4.44Å; P619-Y621 HydrophobicContact CG-CE2 4.1Å; P619-Y621 PolarHBondContact O-N 3.09Å
622	I	24.4	Very low	27.8	Very low	88 Å²	88	128.8 Å²	128.8	45%	0.451	65%	0.645	S	S	.	*			trans	-85.4	118.1	150.3	-62.6	167.9	0	0	0	100.9	K620 E624	K620-I622 HydrophobicContact CB-CB 4.45Å; K620-I622 HydrophobicContact CB-CD1 3.88Å; K620-I622 HydrophobicContact CB-CG1 3.95Å; K620-I622 HydrophobicContact CD-CD1 3.73Å; K620-I622 HydrophobicContact CG-CD1 4.31Å; K620-I622 PolarHBondContact O-N 3.23Å; I622-E624 HydrophobicContact CB-CG 4.32Å; I622-E624 HydrophobicContact CG2-CG 3.95Å; I622-E624 PolarHBondContact O-N 2.81Å
623	P	23.5	Very low	27	Very low	99 Å²	99	132 Å²	132	64%	0.643	67%	0.668	S	S	*	*			trans	-60.7	96.5	159	3.6	9	0	0	0	105.5	D625	P623-D625 PolarHBondContact O-N 3.06Å
624	E	26.2	Very low	26	Very low	163 Å²	163	132.7 Å²	132.7	76%	0.762	67%	0.671	S	S	*	*	S	Bend	trans	-68.6	-6.9	171.4	-78.1	-168.9	161	0	0	111.2	I622	I622-E624 HydrophobicContact CB-CG 4.32Å; I622-E624 HydrophobicContact CG2-CG 3.95Å; I622-E624 PolarHBondContact O-N 2.81Å
625	D	22.7	Very low	25.5	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	67%	0.672	S	S	*	*			trans	-102.2	50	172.4	-63.4	-29.5	0	0	0	112.3	P623	P623-D625 PolarHBondContact O-N 3.06Å
626	N	24.1	Very low	25	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	69%	0.689	S	S	*	*			trans	-106.9	84.4	142.5	-85.3	-32.8	0	0	0	106	W628	N626-W628 VanDerWaalsContact C-N 3.27Å; N626-W628 PolarHBondContact O-N 2.68Å
627	E	22.9	Very low	24.4	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	69%	0.689	S	S	*	*			trans	-41.7	105.7	149.9	-77.1	-172.2	150.7	0	0	106.3	I629	E627-I629 PolarHBondContact O-N 3.35Å
628	W	22.8	Very low	24.3	Very low	240 Å²	240	146.9 Å²	146.9	91%	0.909	70%	0.696	S	S	*	*			trans	-63.7	83	160.5	-74.3	78.8	0	0	0	105.1	N626 Q630	N626-W628 VanDerWaalsContact C-N 3.27Å; N626-W628 PolarHBondContact O-N 2.68Å; W628-Q630 PolarHBondContact O-N 3.18Å
629	I	21.7	Very low	24.1	Very low	122 Å²	122	153.7 Å²	153.7	63%	0.626	72%	0.722	S	S	*	*			trans	-52.6	100.4	142	-60.9	177.6	0	0	0	102.3	E627 L631	E627-I629 PolarHBondContact O-N 3.35Å; I629-L631 HydrophobicContact CG2-CG 4.23Å; I629-L631 PolarHBondContact O-N 3.04Å
630	Q	20.3	Very low	24	Very low	151 Å²	151	159.4 Å²	159.4	71%	0.706	74%	0.737	S	S	*	*			trans	-52.7	85.1	158.5	-87.5	-175.6	-24.9	0	0	105.7	W628 N632	W628-Q630 PolarHBondContact O-N 3.18Å; Q630-N632 PolarHBondContact O-N 2.97Å
631	L	20.8	Very low	23.9	Very low	142 Å²	142	163 Å²	163	74%	0.743	75%	0.746	S	S	*	*			trans	-64.3	87.6	154.8	-81.1	163.9	0	0	0	103.3	I629 V633	I629-L631 HydrophobicContact CG2-CG 4.23Å; I629-L631 PolarHBondContact O-N 3.04Å; L631-V633 HydrophobicContact CB-CG2 4.25Å; L631-V633 PolarHBondContact O-N 2.79Å
632	N	21.3	Very low	24.1	Very low	131 Å²	131	160.6 Å²	160.6	70%	0.701	75%	0.746	S	S	*	*			trans	-58.3	79.5	160	-88.6	-46.6	0	0	0	106.1	Q630 K634	Q630-N632 PolarHBondContact O-N 2.97Å; N632-K634 PolarHBondContact O-N 3.19Å
633	V	21.7	Very low	24	Very low	100 Å²	100	163.4 Å²	163.4	61%	0.606	76%	0.761	S	S	*	*			trans	-70	80.6	165.2	-176.1	0	0	0	0	104.8	L631 F635	L631-V633 HydrophobicContact CB-CG2 4.25Å; L631-V633 PolarHBondContact O-N 2.79Å; V633-F635 HydrophobicContact CG1-CD2 3.85Å; V633-F635 HydrophobicContact CG1-CE2 3.84Å; V633-F635 PolarHBondContact O-N 3.36Å
634	K	22.1	Very low	23.9	Very low	193 Å²	193	167.6 Å²	167.6	84%	0.839	77%	0.765	S	S	*	*			trans	-60.7	99	158.6	-91.1	-175.7	175.1	177.5	0	105.6	N632 D636	N632-K634 PolarHBondContact O-N 3.19Å; K634-D636 PolarHBondContact O-N 3.32Å
635	F	22.3	Very low	23.7	Very low	160 Å²	160	167.7 Å²	167.7	70%	0.702	77%	0.765	S	S	*	*			trans	-59.9	88.3	162.8	-89.9	-95.2	0	0	0	108	V633 Y637	V633-F635 HydrophobicContact CG1-CD2 3.85Å; V633-F635 HydrophobicContact CG1-CE2 3.84Å; V633-F635 PolarHBondContact O-N 3.36Å; F635-Y637 HydrophobicContact CB-CD2 4.1Å; F635-Y637 HydrophobicContact CB-CE2 4.26Å; F635-Y637 HydrophobicContact CD1-CE2 4.16Å; F635-Y637 PolarHBondContact O-N 2.85Å; F635-Y637 VanDerWaalsContact O-N 3.14Å
636	D	25.6	Very low	23.7	Very low	130 Å²	130	166.9 Å²	166.9	70%	0.695	76%	0.76	S	S	*	*			trans	-76.4	96.5	161.6	-168.1	-10.7	0	0	0	107.4	K634 K638	K634-D636 PolarHBondContact O-N 3.32Å; D636-K638 PolarHBondContact O-N 3.46Å; D636-K638 PolarHBondContact OD1-N 3.32Å
637	Y	26	Very low	23.6	Very low	208 Å²	208	169 Å²	169	82%	0.816	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	5.7	-175.9	-109.4	-90.3	0	0	0	114.6	F635	F635-Y637 HydrophobicContact CB-CD2 4.1Å; F635-Y637 HydrophobicContact CB-CE2 4.26Å; F635-Y637 HydrophobicContact CD1-CE2 4.16Å; F635-Y637 PolarHBondContact O-N 2.85Å; F635-Y637 VanDerWaalsContact O-N 3.14Å
638	K	31.5	Very low	23.6	Very low	185 Å²	185	169.9 Å²	169.9	80%	0.804	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-6	-174.8	-79.2	-169.4	174.2	179.9	0	117.7	D636	D636-K638 PolarHBondContact O-N 3.46Å; D636-K638 PolarHBondContact OD1-N 3.32Å
639	R	27.7	Very low	23.6	Very low	234 Å²	234	164.5 Å²	164.5	88%	0.883	77%	0.77	S	S	*	*			trans	-138.5	102.7	173.2	-74.4	-173.6	176.5	173.1	-0.9	113.2	R641	R639-R641 PolarHBondContact O-N 3.47Å
640	K	25.9	Very low	23.6	Very low	210 Å²	210	166.8 Å²	166.8	91%	0.913	78%	0.779	S	S	*	*			trans	-60.1	99.6	167.5	-72.3	-179.7	175.5	-179.3	0	110.5
641	R	25.4	Very low	23.7	Very low	237 Å²	237	165.3 Å²	165.3	89%	0.894	78%	0.783	S	S	*	*			trans	-178.2	108.5	148.6	-103.5	167.7	-173.5	-165.4	1.7	109.6	R639	R639-R641 PolarHBondContact O-N 3.47Å
642	L	26.5	Very low	23.9	Very low	143 Å²	143	169.6 Å²	169.6	75%	0.749	79%	0.791	S	S	*	*			trans	-84.8	112	172.2	-138	95.8	0	0	0	107.9	Y644	L642-Y644 HydrophobicContact CD2-CD2 4.15Å; L642-Y644 HydrophobicContact CD2-CE2 3.5Å; L642-Y644 VanDerWaalsContact CD2-CE2 3.5Å
643	L	22.3	Very low	24	Very low	147 Å²	147	169 Å²	169	77%	0.77	80%	0.797	S	S	*	*			trans	-94	116.2	170.5	-124.7	95.2	0	0	0	107.9
644	Y	23.3	Very low	24	Very low	187 Å²	187	168.9 Å²	168.9	73%	0.733	80%	0.8	S	S	*	*			trans	-85.6	115.7	172.7	-84.1	-90.3	0	0	0	109.3	L642	L642-Y644 HydrophobicContact CD2-CD2 4.15Å; L642-Y644 HydrophobicContact CD2-CE2 3.5Å; L642-Y644 VanDerWaalsContact CD2-CE2 3.5Å
645	H	21.4	Very low	24	Very low	165 Å²	165	166.6 Å²	166.6	76%	0.764	80%	0.795	S	S	*	*			trans	-115.9	106.4	161.2	-106.7	-79.4	0	0	0	108.6
646	I	23.4	Very low	24.4	Very low	130 Å²	130	170.3 Å²	170.3	67%	0.667	82%	0.82	S	S	*	*			trans	-83.3	119.5	173.9	-64.9	167.8	0	0	0	106.9	F648	I646-F648 HydrophobicContact CG2-CD2 4.12Å; I646-F648 HydrophobicContact CG2-CE2 4.27Å
647	L	21.7	Very low	24.3	Very low	164 Å²	164	172.3 Å²	172.3	86%	0.859	83%	0.826	S	S	*	*			trans	-114.3	108.9	171.1	-91.2	161.6	0	0	0	109.1
648	F	21.9	Very low	24.2	Very low	189 Å²	189	170.4 Å²	170.4	83%	0.829	83%	0.827	S	S	*	*			trans	-66.7	123.3	166.1	-92.4	-100.6	0	0	0	109.5	I646	I646-F648 HydrophobicContact CG2-CD2 4.12Å; I646-F648 HydrophobicContact CG2-CE2 4.27Å
649	S	23.5	Very low	23.8	Very low	126 Å²	126	169.6 Å²	169.6	88%	0.881	83%	0.828	S	S	*	*			trans	-93.5	102.8	167.6	-176.9	0	0	0	0	108.8
650	Q	22.1	Very low	23.6	Very low	171 Å²	171	165.8 Å²	165.8	80%	0.799	83%	0.825	S	S	*	*			trans	-86.4	137.4	165.4	-92.2	-178.6	-33.6	0	0	110.2
651	C	21.3	Very low	23.5	Very low	119 Å²	119	163.1 Å²	163.1	80%	0.804	82%	0.819	S	S	*	*			trans	-6.5	121.9	153.3	-61.9	0	0	0	0	117
652	Y	25.3	Very low	23.3	Very low	232 Å²	232	158.1 Å²	158.1	91%	0.91	81%	0.814	S	S	*	*			trans	-138.7	91.5	144	-100.6	-85.7	0	0	0	109.8
653	C	22.6	Very low	23.1	Very low	120 Å²	120	159.2 Å²	159.2	81%	0.811	82%	0.819	S	S	*	*			trans	-77.6	125.6	142.7	-84.2	0	0	0	0	107
654	S	21.4	Very low	23.2	Very low	96 Å²	96	160.2 Å²	160.2	67%	0.671	82%	0.822	S	S	*	*			trans	172.3	124	142.4	-84.6	0	0	0	0	113.4
655	I	22.9	Very low	23.1	Very low	146 Å²	146	157.9 Å²	157.9	75%	0.749	83%	0.83	S	S	*	*			trans	84.9	109.2	139.8	-57.2	162.6	0	0	0	118.2
656	I	30.2	Very low	23.3	Very low	237 Å²	237	157.3 Å²	157.3	100%	1.215	84%	0.836	S	S	*	*			trans	62.2	0	152.7	-58.7	169.1	0	0	0	117.4

Retrieved 656 of 656 residues in 178.5 ms (Link to these results)

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