G4VTW8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4VTW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 571 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	40.8	Very low	46.6	Very low	182 Å²	182	88 Å²	88	90%	0.897	46%	0.463	S	S	*	.				0	-76.9	0	-63.7	-165.5	72.9	0	0	111.6	A3 D4 E5	M1-A3 PolarHBondContact O-N 3.43Å; M1-D4 WeakPolarHBondContact CA-OD2 3.36Å; M1-D4 PolarHBondContact N-OD2 3.3Å; M1-D4 WeakPolarHBondContact O-CA 3.38Å; M1-D4 VanDerWaalsContact O-CB 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.36Å; M1-D4 PolarHBondContact O-N 3.19Å; M1-E5 PolarHBondContact O-N 2.8Å
2	Y	52.2	Low	45.9	Very low	92 Å²	92	83.3 Å²	83.3	36%	0.361	44%	0.443	S	S	.	.	H	α-helix	trans	-65.2	-40.1	-179	-67.6	-66.2	0	0	0	115.1	D4 E5 L6 Y56	Y2-D4 PolarHBondContact O-N 3.18Å; Y2-E5 PolarHBondContact O-N 3.26Å; Y2-L6 PolarHBondContact O-N 3.09Å; Y2-Y56 HydrophobicContact CD1-CE2 4.38Å; Y2-Y56 AromaticContact CE1-CE2 3.88Å; Y2-Y56 HydrophobicContact CE1-CE2 3.88Å
3	A	49.5	Very low	45.3	Very low	45 Å²	45	82.2 Å²	82.2	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-57.8	-30.7	171.3	0	0	0	0	0	111	M1 S7 Y131	M1-A3 PolarHBondContact O-N 3.43Å; A3-S7 WeakPolarHBondContact O-CA 3.45Å; A3-S7 WeakPolarHBondContact O-CB 3.12Å; A3-S7 PolarHBondContact O-N 3.25Å; A3-Y131 HydrophobicContact CB-CD1 4.21Å
4	D	48.7	Very low	45	Very low	93 Å²	93	81 Å²	81	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-78.1	-39.5	178.4	-50.5	-52.7	0	0	0	111.6	M1 Y2 S7 N8	M1-D4 WeakPolarHBondContact CA-OD2 3.36Å; M1-D4 PolarHBondContact N-OD2 3.3Å; M1-D4 WeakPolarHBondContact O-CA 3.38Å; M1-D4 VanDerWaalsContact O-CB 3.31Å; M1-D4 WeakPolarHBondContact O-CB 3.36Å; M1-D4 PolarHBondContact O-N 3.19Å; Y2-D4 PolarHBondContact O-N 3.18Å; D4-S7 PolarHBondContact O-N 3.44Å; D4-N8 VanDerWaalsContact O-CB 3.3Å; D4-N8 WeakPolarHBondContact O-CB 3.5Å; D4-N8 PolarHBondContact O-N 3.16Å; D4-N8 PolarHBondContact O-ND2 2.97Å
5	E	55	Low	44.6	Very low	99 Å²	99	78.3 Å²	78.3	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-40.6	173.8	-75	-174.6	171.1	0	0	112.8	M1 Y2 S9	M1-E5 PolarHBondContact O-N 2.8Å; Y2-E5 PolarHBondContact O-N 3.26Å; E5-S9 PolarHBondContact O-OG 2.81Å
6	L	54.8	Low	44.3	Very low	6 Å²	6	80.5 Å²	80.5	3%	0.031	42%	0.423	C	S	.	.	H	α-helix	trans	-73.9	-33.1	173	-73.9	167.3	0	0	0	111.8	Y2 Y131 F143	Y2-L6 PolarHBondContact O-N 3.09Å; L6-Y131 HydrophobicContact CD1-CG 4.5Å; L6-F143 HydrophobicContact CD1-CB 4.05Å; L6-F143 HydrophobicContact CD1-CG 4.45Å; L6-F143 HydrophobicContact CD2-CD2 3.94Å; L6-F143 HydrophobicContact CD2-CE2 4.41Å; L6-F143 HydrophobicContact CD2-CG 4.31Å
7	S	49.4	Very low	43.8	Very low	46 Å²	46	83.1 Å²	83.1	32%	0.322	44%	0.437	S	S	.	.	H	α-helix	trans	-73.8	-33.6	-179.7	177.8	0	0	0	0	113.2	A3 D4 S9 V10 R120	A3-S7 WeakPolarHBondContact O-CA 3.45Å; A3-S7 WeakPolarHBondContact O-CB 3.12Å; A3-S7 PolarHBondContact O-N 3.25Å; D4-S7 PolarHBondContact O-N 3.44Å; S7-S9 PolarHBondContact O-N 3.33Å; S7-V10 WeakPolarHBondContact O-CG2 3.16Å; S7-R120 PolarHBondContact O-NH1 3.46Å
8	N	42	Very low	43.4	Very low	137 Å²	137	80.8 Å²	80.8	73%	0.733	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-8.9	179.5	-74.3	-19.5	0	0	0	113.2	D4 V10	D4-N8 VanDerWaalsContact O-CB 3.3Å; D4-N8 WeakPolarHBondContact O-CB 3.5Å; D4-N8 PolarHBondContact O-N 3.16Å; D4-N8 PolarHBondContact O-ND2 2.97Å; N8-V10 PolarHBondContact O-N 3.17Å
9	S	43.2	Very low	43.1	Very low	32 Å²	32	81.3 Å²	81.3	22%	0.224	43%	0.431	C	S	.	.			trans	-98.8	49.8	177.4	-53	0	0	0	0	113	E5 S7 Q11	E5-S9 PolarHBondContact O-OG 2.81Å; S7-S9 PolarHBondContact O-N 3.33Å; S9-Q11 CarbonylContact C-O 3.53Å; S9-Q11 VanDerWaalsContact C-O 3.3Å; S9-Q11 CarbonylContact O-C 3.57Å; S9-Q11 PolarHBondContact O-N 3.19Å
10	V	38.7	Very low	42.5	Very low	67 Å²	67	84.8 Å²	84.8	41%	0.406	45%	0.445	S	S	.	.			trans	-67.9	-23.3	171.1	177.3	0	0	0	0	112.2	S7 N8 S12 R113 R120	S7-V10 WeakPolarHBondContact O-CG2 3.16Å; N8-V10 PolarHBondContact O-N 3.17Å; V10-S12 PolarHBondContact O-N 2.64Å; V10-S12 VanDerWaalsContact O-N 3.14Å; V10-R113 PolarHBondContact O-NH2 2.96Å; V10-R120 VanDerWaalsContact CG2-NH1 3.35Å
11	Q	37.9	Very low	42.1	Very low	169 Å²	169	87.1 Å²	87.1	79%	0.79	46%	0.457	S	S	*	.	S	Bend	trans	-67.4	110.5	155.3	-66.9	-177.6	-6.9	0	0	104.8	S9 I13	S9-Q11 CarbonylContact C-O 3.53Å; S9-Q11 VanDerWaalsContact C-O 3.3Å; S9-Q11 CarbonylContact O-C 3.57Å; S9-Q11 PolarHBondContact O-N 3.19Å; Q11-I13 PolarHBondContact O-N 2.95Å
12	S	38.8	Very low	41.7	Very low	32 Å²	32	85.1 Å²	85.1	22%	0.224	45%	0.45	C	S	.	.			trans	-39	121.1	155.6	34.9	0	0	0	0	105.1	V10 D14	V10-S12 PolarHBondContact O-N 2.64Å; V10-S12 VanDerWaalsContact O-N 3.14Å; S12-D14 WeakPolarHBondContact CB-OD2 3.43Å; S12-D14 PolarHBondContact O-N 2.95Å; S12-D14 PolarHBondContact OG-OD2 3Å
13	I	37.7	Very low	40.7	Very low	68 Å²	68	89.4 Å²	89.4	35%	0.349	47%	0.471	S	S	.	.			trans	-67.2	83.7	156.3	-46.2	178.7	0	0	0	101.8	Q11 L15	Q11-I13 PolarHBondContact O-N 2.95Å; I13-L15 HydrophobicContact CB-CG 4.23Å; I13-L15 HydrophobicContact CG2-CD1 4.2Å; I13-L15 HydrophobicContact CG2-CD2 3.46Å; I13-L15 VanDerWaalsContact CG2-CD2 3.46Å; I13-L15 HydrophobicContact CG2-CG 3.46Å; I13-L15 VanDerWaalsContact CG2-CG 3.46Å; I13-L15 PolarHBondContact O-N 3.39Å
14	D	40.8	Very low	39.7	Very low	66 Å²	66	95.4 Å²	95.4	35%	0.353	49%	0.491	S	S	.	.			trans	-66.8	82.4	165	-97.5	-62.1	0	0	0	103.1	S12 Q16 R109	S12-D14 WeakPolarHBondContact CB-OD2 3.43Å; S12-D14 PolarHBondContact O-N 2.95Å; S12-D14 PolarHBondContact OG-OD2 3Å; D14-Q16 HydrophobicContact CB-CG 4.08Å; D14-Q16 PolarHBondContact O-N 3.38Å; D14-Q16 PolarHBondContact OD1-NE2 2.93Å; D14-R109 IonicContact OD1-NH1 3.48Å
15	L	39.6	Very low	38.8	Very low	41 Å²	41	97.2 Å²	97.2	22%	0.215	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-69.7	51.5	167	-68.7	168.9	0	0	0	108.2	I13 D17 I18 P50 I51	I13-L15 HydrophobicContact CB-CG 4.23Å; I13-L15 HydrophobicContact CG2-CD1 4.2Å; I13-L15 HydrophobicContact CG2-CD2 3.46Å; I13-L15 VanDerWaalsContact CG2-CD2 3.46Å; I13-L15 HydrophobicContact CG2-CG 3.46Å; I13-L15 VanDerWaalsContact CG2-CG 3.46Å; I13-L15 PolarHBondContact O-N 3.39Å; L15-D17 PolarHBondContact O-N 2.77Å; L15-I18 HydrophobicContact CB-CD1 3.72Å; L15-I18 HydrophobicContact CB-CG1 3.99Å; L15-I18 HydrophobicContact CD1-CD1 3.84Å; L15-I18 HydrophobicContact CD2-CD1 4.21Å; L15-I18 HydrophobicContact CD2-CG1 4.41Å; L15-I18 HydrophobicContact CG-CD1 4.12Å; L15-P50 HydrophobicContact CD1-CB 4.07Å; L15-P50 HydrophobicContact CD1-CG 4.12Å; L15-I51 HydrophobicContact CD1-CG2 3.46Å; L15-I51 VanDerWaalsContact CD1-CG2 3.46Å
16	Q	40.3	Very low	38.1	Very low	113 Å²	113	98.7 Å²	98.7	53%	0.528	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-67.8	-25.1	169.6	-66.7	-176.1	18.9	0	0	109.5	D14 I18 T19	D14-Q16 HydrophobicContact CB-CG 4.08Å; D14-Q16 PolarHBondContact O-N 3.38Å; D14-Q16 PolarHBondContact OD1-NE2 2.93Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.99Å; Q16-T19 WeakPolarHBondContact O-CG2 3.06Å; Q16-T19 PolarHBondContact O-N 3.09Å; Q16-T19 PolarHBondContact O-OG1 3.08Å
17	D	34.3	Very low	36.8	Very low	124 Å²	124	106.3 Å²	106.3	66%	0.663	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-76.4	-4.6	179.4	-73.3	-23.7	0	0	0	115.2	L15 T19 Q20	L15-D17 PolarHBondContact O-N 2.77Å; D17-T19 PolarHBondContact O-N 2.77Å; D17-Q20 PolarHBondContact O-N 2.89Å
18	I	36.7	Very low	36.1	Very low	42 Å²	42	109.8 Å²	109.8	22%	0.215	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-67.7	-13.5	168	-63.1	179.8	0	0	0	111.3	L15 Q16 Q20 L21 N22 P50	L15-I18 HydrophobicContact CB-CD1 3.72Å; L15-I18 HydrophobicContact CB-CG1 3.99Å; L15-I18 HydrophobicContact CD1-CD1 3.84Å; L15-I18 HydrophobicContact CD2-CD1 4.21Å; L15-I18 HydrophobicContact CD2-CG1 4.41Å; L15-I18 HydrophobicContact CG-CD1 4.12Å; Q16-I18 VanDerWaalsContact C-N 3.29Å; Q16-I18 PolarHBondContact O-N 2.99Å; I18-Q20 PolarHBondContact O-N 2.89Å; I18-Q20 VanDerWaalsContact O-N 3.08Å; I18-L21 HydrophobicContact CG2-CB 4.49Å; I18-L21 PolarHBondContact O-N 2.88Å; I18-N22 PolarHBondContact O-N 3.31Å; I18-P50 HydrophobicContact CD1-CB 4.38Å; I18-P50 HydrophobicContact CD1-CG 3.94Å
19	T	37.6	Very low	35.6	Very low	90 Å²	90	108.8 Å²	108.8	55%	0.552	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-58.4	-19.8	170.3	52.1	0	0	0	0	113.6	Q16 D17	Q16-T19 WeakPolarHBondContact O-CG2 3.06Å; Q16-T19 PolarHBondContact O-N 3.09Å; Q16-T19 PolarHBondContact O-OG1 3.08Å; D17-T19 PolarHBondContact O-N 2.77Å
20	Q	31.8	Very low	35.2	Very low	151 Å²	151	113 Å²	113	71%	0.706	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-81	-28.3	173.7	-62.6	-166.6	19.7	0	0	113.7	D17 I18 N22	D17-Q20 PolarHBondContact O-N 2.89Å; I18-Q20 PolarHBondContact O-N 2.89Å; I18-Q20 VanDerWaalsContact O-N 3.08Å; Q20-N22 VanDerWaalsContact C-N 3.34Å
21	L	34.3	Very low	35	Very low	135 Å²	135	115.2 Å²	115.2	71%	0.707	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-76.6	-20.4	176.6	-80.8	159.6	0	0	0	113.1	I18	I18-L21 HydrophobicContact CG2-CB 4.49Å; I18-L21 PolarHBondContact O-N 2.88Å
22	N	32.7	Very low	35.2	Very low	139 Å²	139	113 Å²	113	74%	0.743	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-93.1	9.6	177.7	-81.8	-11.4	0	0	0	114.5	I18 Q20	I18-N22 PolarHBondContact O-N 3.31Å; Q20-N22 VanDerWaalsContact C-N 3.34Å
23	K	31	Very low	35.5	Very low	183 Å²	183	120 Å²	120	80%	0.796	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-84.8	-9.5	170.9	-80.4	-170.8	177.8	180	0	114
24	E	29.1	Very low	35.9	Very low	170 Å²	170	120.2 Å²	120.2	79%	0.794	64%	0.641	S	S	*	*	S	Bend	trans	-115.3	81.3	175.1	-67	-171.7	169.6	0	0	110.3
25	N	30	Very low	36.9	Very low	132 Å²	132	118.1 Å²	118.1	71%	0.706	63%	0.631	S	S	*	*			trans	156.9	86.6	146.3	-83.7	-23.9	0	0	0	110.6	E27	N25-E27 PolarHBondContact O-N 3.29Å
26	P	38.3	Very low	38	Very low	129 Å²	129	121.1 Å²	121.1	84%	0.838	64%	0.644	S	S	*	*			trans	-80.9	57.2	160.8	36.5	-30.6	0	0	0	109.4
27	E	27.7	Very low	39.1	Very low	166 Å²	166	117 Å²	117	78%	0.776	63%	0.625	S	S	*	*			trans	-132.1	51.4	165.9	-72.3	-166.8	177.8	0	0	109.1	N25 T29	N25-E27 PolarHBondContact O-N 3.29Å; E27-T29 PolarHBondContact O-N 3.34Å
28	V	36.6	Very low	40.9	Very low	120 Å²	120	113.3 Å²	113.3	73%	0.727	61%	0.607	S	S	*	*			trans	-73.6	89.9	152	-178.1	0	0	0	0	105.3	T30	V28-T30 HydrophobicContact CG1-CG2 4.24Å; V28-T30 PolarHBondContact O-N 3.02Å
29	T	30.4	Very low	42.8	Very low	116 Å²	116	114.3 Å²	114.3	71%	0.712	62%	0.618	S	S	*	*			trans	-54.2	95.3	156.6	33.9	0	0	0	0	106.5	E27 N31	E27-T29 PolarHBondContact O-N 3.34Å; T29-N31 PolarHBondContact O-N 2.98Å
30	T	35.9	Very low	44.9	Very low	119 Å²	119	112 Å²	112	73%	0.73	60%	0.602	S	S	*	*			trans	-65.5	94.9	165.9	44.6	0	0	0	0	105.1	V28 S32	V28-T30 HydrophobicContact CG1-CG2 4.24Å; V28-T30 PolarHBondContact O-N 3.02Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.02Å
31	N	33.6	Very low	47.2	Very low	114 Å²	114	108 Å²	108	61%	0.61	58%	0.583	S	S	*	*			trans	-54.6	110.9	157.2	-80.2	-9.4	0	0	0	104.9	T29 E33 D34	T29-N31 PolarHBondContact O-N 2.98Å; N31-E33 PolarHBondContact O-N 3.1Å; N31-D34 PolarHBondContact O-N 3.06Å
32	S	42.6	Very low	49.6	Very low	123 Å²	123	106.7 Å²	106.7	86%	0.86	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-0.5	-174.8	48.6	0	0	0	0	113.6	T30	T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 3.02Å
33	E	45.4	Very low	52.3	Low	180 Å²	180	102.2 Å²	102.2	84%	0.841	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-12.1	-178.8	-61	-174	165.8	0	0	114.2	N31 S35	N31-E33 PolarHBondContact O-N 3.1Å; E33-S35 PolarHBondContact O-N 3.11Å
34	D	46.1	Very low	55.1	Low	71 Å²	71	93.7 Å²	93.7	38%	0.38	51%	0.514	S	S	.	.			trans	-69.3	117.8	178.3	-85.6	-29.3	0	0	0	110.3	N31 K42	N31-D34 PolarHBondContact O-N 3.06Å; D34-K42 IonicContact OD1-NZ 2.62Å; D34-K42 PolarHBondContact OD1-NZ 3.38Å; D34-K42 IonicContact OD2-NZ 3.28Å; D34-K42 PolarHBondContact OD2-NZ 3.17Å
35	S	61.7	Low	58	Low	23 Å²	23	89.8 Å²	89.8	16%	0.161	50%	0.495	C	S	.	.			trans	-56.7	148.7	172.2	83	0	0	0	0	110.8	E33 E37 T38 S39 R462	E33-S35 PolarHBondContact O-N 3.11Å; S35-E37 PolarHBondContact O-N 2.97Å; S35-T38 WeakPolarHBondContact O-CB 3.46Å; S35-T38 PolarHBondContact O-N 3.23Å; S35-T38 PolarHBondContact OG-N 2.69Å; S35-T38 PolarHBondContact OG-OG1 3.41Å; S35-S39 PolarHBondContact O-N 3.45Å; S35-S39 VanDerWaalsContact O-N 3.13Å; S35-R462 PolarHBondContact OG-O 2.8Å
36	E	61.7	Low	60.9	Low	104 Å²	104	88.4 Å²	88.4	49%	0.486	49%	0.491	S	S	.	.	H	α-helix	trans	-49.3	-33.7	176	179.5	166.7	-138.3	0	0	112.6	S39 I40 K94	E36-S39 WeakPolarHBondContact O-CB 3.36Å; E36-S39 PolarHBondContact O-N 3.26Å; E36-I40 HydrophobicContact CG-CD1 4.36Å; E36-I40 WeakPolarHBondContact O-CG1 3.3Å; E36-I40 PolarHBondContact O-N 3.12Å; E36-I40 VanDerWaalsContact O-N 3.09Å; E36-K94 WeakPolarHBondContact OE1-CE 3.18Å; E36-K94 IonicContact OE1-NZ 3.12Å; E36-K94 PolarHBondContact OE1-NZ 3.48Å
37	E	64.8	Low	63.4	Low	26 Å²	26	84 Å²	84	12%	0.121	46%	0.459	C	S	.	.	H	α-helix	trans	-68.4	-44.1	176.8	-173.4	67.1	-171.6	0	0	112.7	S35 S39 I40 Q41 R69 R482	S35-E37 PolarHBondContact O-N 2.97Å; E37-S39 PolarHBondContact O-N 3.18Å; E37-I40 PolarHBondContact O-N 3.16Å; E37-Q41 PolarHBondContact O-N 3.49Å; E37-R69 VanDerWaalsContact CD-NH2 3.31Å; E37-R69 IonicContact OE1-CZ 2.83Å; E37-R69 IonicContact OE1-NE 3.44Å; E37-R69 PolarHBondContact OE1-NE 2.96Å; E37-R69 IonicContact OE1-NH2 2.81Å; E37-R69 PolarHBondContact OE1-NH2 3.35Å; E37-R69 IonicContact OE2-CZ 3.56Å; E37-R69 IonicContact OE2-NH2 3.8Å; E37-R69 PolarHBondContact OE2-NH2 2.99Å; E37-R482 IonicContact OE1-CZ 3.25Å; E37-R482 IonicContact OE1-NH1 3.62Å; E37-R482 PolarHBondContact OE1-NH1 3Å; E37-R482 IonicContact OE1-NH2 2.74Å; E37-R482 PolarHBondContact OE1-NH2 3.3Å; E37-R482 VanDerWaalsContact OE1-NH2 3.14Å; E37-R482 IonicContact OE2-CZ 2.67Å; E37-R482 IonicContact OE2-NH1 2.7Å; E37-R482 IonicContact OE2-NH2 2.64Å; E37-R482 PolarHBondContact OE2-NH2 2.89Å
38	T	71.2	Confident	66.4	Low	47 Å²	47	76.1 Å²	76.1	29%	0.288	42%	0.422	S	S	.	.	H	α-helix	trans	-60.1	-38.2	176.5	-40.6	0	0	0	0	110.2	S35 K42	S35-T38 WeakPolarHBondContact O-CB 3.46Å; S35-T38 PolarHBondContact O-N 3.23Å; S35-T38 PolarHBondContact OG-N 2.69Å; S35-T38 PolarHBondContact OG-OG1 3.41Å; T38-K42 VanDerWaalsContact O-CG 3.31Å; T38-K42 WeakPolarHBondContact O-CG 3.29Å; T38-K42 PolarHBondContact O-N 3.11Å
39	S	77.2	Confident	68.9	Low	63 Å²	63	75.9 Å²	75.9	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-64.4	-48.8	175.8	-173.2	0	0	0	0	112.1	S35 E36 E37 Q41 K42 S43	S35-S39 PolarHBondContact O-N 3.45Å; S35-S39 VanDerWaalsContact O-N 3.13Å; E36-S39 WeakPolarHBondContact O-CB 3.36Å; E36-S39 PolarHBondContact O-N 3.26Å; E37-S39 PolarHBondContact O-N 3.18Å; S39-Q41 VanDerWaalsContact C-N 3.32Å; S39-Q41 PolarHBondContact O-N 2.93Å; S39-K42 WeakPolarHBondContact O-CB 3.43Å; S39-K42 PolarHBondContact O-N 2.85Å; S39-S43 PolarHBondContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.04Å
40	I	79.9	Confident	71.6	Confident	42 Å²	42	73.8 Å²	73.8	22%	0.215	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-43.2	177.5	-65.9	164.5	0	0	0	111.1	E36 E37 K42 S43 I44 F139	E36-I40 HydrophobicContact CG-CD1 4.36Å; E36-I40 WeakPolarHBondContact O-CG1 3.3Å; E36-I40 PolarHBondContact O-N 3.12Å; E36-I40 VanDerWaalsContact O-N 3.09Å; E37-I40 PolarHBondContact O-N 3.16Å; I40-K42 VanDerWaalsContact C-N 3.33Å; I40-K42 PolarHBondContact O-N 3.32Å; I40-S43 PolarHBondContact O-N 2.9Å; I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.42Å; I40-I44 PolarHBondContact O-N 3.06Å; I40-F139 HydrophobicContact CG2-CE1 4.5Å; I40-F139 HydrophobicContact CG2-CZ 4.47Å
41	Q	80.9	Confident	74.2	Confident	66 Å²	66	68.1 Å²	68.1	31%	0.308	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-39.2	178.7	-170.5	176.7	2.8	0	0	111.9	E37 S39 K45	E37-Q41 PolarHBondContact O-N 3.49Å; S39-Q41 VanDerWaalsContact C-N 3.32Å; S39-Q41 PolarHBondContact O-N 2.93Å; Q41-K45 WeakPolarHBondContact O-CG 3.41Å; Q41-K45 PolarHBondContact O-N 2.75Å; Q41-K45 VanDerWaalsContact O-N 3.08Å
42	K	85.5	Confident	76.9	Confident	107 Å²	107	63.3 Å²	63.3	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-62.3	-47.2	172.9	-74.1	174.6	-177.3	179.8	0	110.9	D34 T38 S39 I40 I44 K45 T46	D34-K42 IonicContact OD1-NZ 2.62Å; D34-K42 PolarHBondContact OD1-NZ 3.38Å; D34-K42 IonicContact OD2-NZ 3.28Å; D34-K42 PolarHBondContact OD2-NZ 3.17Å; T38-K42 VanDerWaalsContact O-CG 3.31Å; T38-K42 WeakPolarHBondContact O-CG 3.29Å; T38-K42 PolarHBondContact O-N 3.11Å; S39-K42 WeakPolarHBondContact O-CB 3.43Å; S39-K42 PolarHBondContact O-N 2.85Å; I40-K42 VanDerWaalsContact C-N 3.33Å; I40-K42 PolarHBondContact O-N 3.32Å; K42-I44 PolarHBondContact O-N 2.98Å; K42-K45 PolarHBondContact O-N 3.36Å; K42-T46 PolarHBondContact O-N 2.96Å; K42-T46 PolarHBondContact O-OG1 3.26Å; K42-T46 VanDerWaalsContact O-OG1 3.13Å
43	S	88.4	Confident	78.8	Confident	46 Å²	46	57.7 Å²	57.7	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-43.6	177.4	-58.7	0	0	0	0	112.8	S39 I40 K45 T46 E47	S39-S43 PolarHBondContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.04Å; I40-S43 PolarHBondContact O-N 2.9Å; S43-K45 VanDerWaalsContact C-N 3.34Å; S43-K45 PolarHBondContact O-N 3.34Å; S43-T46 PolarHBondContact O-N 3.38Å; S43-E47 WeakPolarHBondContact O-CB 3.2Å; S43-E47 PolarHBondContact O-N 3.35Å
44	I	90.3	Very high	80.7	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-46	176.1	-70.1	170	0	0	0	110.1	I40 K42 T46 A48 I58 Y71 V86 F139 F141	I40-I44 HydrophobicContact CG2-CD1 3.82Å; I40-I44 HydrophobicContact CG2-CG1 4.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.42Å; I40-I44 PolarHBondContact O-N 3.06Å; K42-I44 PolarHBondContact O-N 2.98Å; I44-T46 PolarHBondContact O-N 3.24Å; I44-A48 WeakPolarHBondContact O-CB 3.3Å; I44-A48 PolarHBondContact O-N 2.96Å; I44-I58 HydrophobicContact CG2-CD1 3.67Å; I44-Y71 HydrophobicContact CD1-CE2 3.93Å; I44-Y71 WeakPolarHBondContact CD1-OH 3.44Å; I44-Y71 HydrophobicContact CG2-CE2 4.15Å; I44-V86 HydrophobicContact CD1-CG1 4.24Å; I44-V86 HydrophobicContact CG1-CG1 4.26Å; I44-V86 HydrophobicContact CG2-CG1 4.22Å; I44-F139 HydrophobicContact CD1-CE1 4.09Å; I44-F139 HydrophobicContact CD1-CZ 4.34Å; I44-F139 HydrophobicContact CG1-CD1 4.05Å; I44-F139 HydrophobicContact CG1-CD2 4.21Å; I44-F139 HydrophobicContact CG1-CE1 3.59Å; I44-F139 HydrophobicContact CG1-CE2 3.78Å; I44-F139 HydrophobicContact CG1-CG 4.35Å; I44-F139 HydrophobicContact CG1-CZ 3.46Å; I44-F139 VanDerWaalsContact CG1-CZ 3.46Å; I44-F141 HydrophobicContact CG2-CE1 4.27Å; I44-F141 HydrophobicContact CG2-CZ 4.08Å
45	K	89.3	Confident	82.7	Confident	88 Å²	88	52.5 Å²	52.5	38%	0.383	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-43.8	179	-73.2	-174.3	175.7	-171.8	0	112.2	Q41 K42 S43 Q49 I58	Q41-K45 WeakPolarHBondContact O-CG 3.41Å; Q41-K45 PolarHBondContact O-N 2.75Å; Q41-K45 VanDerWaalsContact O-N 3.08Å; K42-K45 PolarHBondContact O-N 3.36Å; S43-K45 VanDerWaalsContact C-N 3.34Å; S43-K45 PolarHBondContact O-N 3.34Å; K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.38Å; K45-I58 HydrophobicContact CB-CG2 4.3Å; K45-I58 HydrophobicContact CG-CG2 3.86Å
46	T	91.1	Very high	84	Confident	104 Å²	104	52 Å²	52	64%	0.638	29%	0.29	S	S	*	.	H	α-helix	trans	-66	-48.7	179.2	-57.2	0	0	0	0	111.9	K42 S43 I44 A48 Q49	K42-T46 PolarHBondContact O-N 2.96Å; K42-T46 PolarHBondContact O-OG1 3.26Å; K42-T46 VanDerWaalsContact O-OG1 3.13Å; S43-T46 PolarHBondContact O-N 3.38Å; I44-T46 PolarHBondContact O-N 3.24Å; T46-A48 VanDerWaalsContact C-N 3.3Å; T46-A48 PolarHBondContact O-N 3.08Å; T46-Q49 PolarHBondContact O-N 2.98Å
47	E	91	Very high	85.3	Confident	36 Å²	36	52.1 Å²	52.1	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-71.8	-24.1	-179.5	-71	-169.8	-148	0	0	113	S43 P50 T136 T138 F139	S43-E47 WeakPolarHBondContact O-CB 3.2Å; S43-E47 PolarHBondContact O-N 3.35Å; E47-P50 WeakPolarHBondContact O-CD 3.36Å; E47-T136 HydrophobicContact CB-CG2 4.04Å; E47-T136 VanDerWaalsContact O-CG2 3.31Å; E47-T136 WeakPolarHBondContact O-CG2 3.45Å; E47-T136 WeakPolarHBondContact OE2-CB 3.42Å; E47-T136 PolarHBondContact OE2-OG1 3.05Å; E47-T138 WeakPolarHBondContact OE1-CB 3.42Å; E47-T138 PolarHBondContact OE1-OG1 3.29Å; E47-T138 WeakPolarHBondContact OE2-CB 3.43Å; E47-T138 PolarHBondContact OE2-N 3Å; E47-T138 PolarHBondContact OE2-OG1 2.72Å; E47-F139 HydrophobicContact CB-CD2 4.28Å; E47-F139 WeakPolarHBondContact OE2-CD2 3.39Å
48	A	90.9	Very high	86.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.1	-37.6	176.2	0	0	0	0	0	112.9	I44 T46 I51 L52 I58 F141	I44-A48 WeakPolarHBondContact O-CB 3.3Å; I44-A48 PolarHBondContact O-N 2.96Å; T46-A48 VanDerWaalsContact C-N 3.3Å; T46-A48 PolarHBondContact O-N 3.08Å; A48-I51 CarbonylContact O-C 3.55Å; A48-I51 WeakPolarHBondContact O-CG1 3.43Å; A48-I51 PolarHBondContact O-N 2.92Å; A48-L52 HydrophobicContact CB-CD1 4.23Å; A48-L52 HydrophobicContact CB-CG 4.21Å; A48-L52 WeakPolarHBondContact O-CG 3.49Å; A48-L52 PolarHBondContact O-N 2.94Å; A48-I58 HydrophobicContact CB-CD1 4.44Å; A48-I58 HydrophobicContact CB-CG2 4.33Å; A48-F141 HydrophobicContact CB-CE1 3.82Å; A48-F141 HydrophobicContact CB-CZ 3.79Å
49	Q	88.7	Confident	87.2	Confident	115 Å²	115	51.1 Å²	51.1	54%	0.537	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-44.1	-52.7	-174.3	-69.7	-59.4	-39.3	0	0	114.8	K45 T46 I51	K45-Q49 WeakPolarHBondContact O-CG 3.38Å; K45-Q49 PolarHBondContact O-N 3.38Å; T46-Q49 PolarHBondContact O-N 2.98Å; Q49-I51 VanDerWaalsContact C-N 3.27Å; Q49-I51 PolarHBondContact O-N 3.44Å
50	P	88.4	Confident	87.2	Confident	72 Å²	72	50.9 Å²	50.9	47%	0.468	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-72.3	-17	-177.7	29.3	-37.7	0	0	0	114.4	L15 I18 E47	L15-P50 HydrophobicContact CD1-CB 4.07Å; L15-P50 HydrophobicContact CD1-CG 4.12Å; I18-P50 HydrophobicContact CD1-CB 4.38Å; I18-P50 HydrophobicContact CD1-CG 3.94Å; E47-P50 WeakPolarHBondContact O-CD 3.36Å
51	I	89.4	Confident	87.3	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-107.8	-3.5	-176.8	64.3	153	0	0	0	113.2	L15 A48 Q49 R134 T136 F141 F143	L15-I51 HydrophobicContact CD1-CG2 3.46Å; L15-I51 VanDerWaalsContact CD1-CG2 3.46Å; A48-I51 CarbonylContact O-C 3.55Å; A48-I51 WeakPolarHBondContact O-CG1 3.43Å; A48-I51 PolarHBondContact O-N 2.92Å; Q49-I51 VanDerWaalsContact C-N 3.27Å; Q49-I51 PolarHBondContact O-N 3.44Å; I51-R134 HydrophobicContact CB-CB 4.23Å; I51-R134 HydrophobicContact CD1-CB 4.12Å; I51-R134 WeakPolarHBondContact O-CD 3.22Å; I51-R134 PolarHBondContact O-NH1 3.32Å; I51-T136 HydrophobicContact CD1-CG2 3.56Å; I51-T136 HydrophobicContact CG1-CG2 4.01Å; I51-T136 HydrophobicContact CG2-CG2 4.07Å; I51-F141 HydrophobicContact CD1-CB 3.85Å; I51-F141 HydrophobicContact CD1-CD1 3.96Å; I51-F141 HydrophobicContact CD1-CD2 3.22Å; I51-F141 HydrophobicContact CD1-CE1 4.31Å; I51-F141 HydrophobicContact CD1-CE2 3.59Å; I51-F141 HydrophobicContact CD1-CG 3.42Å; I51-F141 VanDerWaalsContact CD1-CG 3.42Å; I51-F141 HydrophobicContact CD1-CZ 4.14Å; I51-F143 HydrophobicContact CD1-CZ 4.36Å
52	L	89.7	Confident	87.3	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.267	C	S	.	.	S	Bend	trans	-71.8	149.9	172.7	-72	174.1	0	0	0	109.7	A48 I58 I73 F143	A48-L52 HydrophobicContact CB-CD1 4.23Å; A48-L52 HydrophobicContact CB-CG 4.21Å; A48-L52 WeakPolarHBondContact O-CG 3.49Å; A48-L52 PolarHBondContact O-N 2.94Å; L52-I58 HydrophobicContact CD1-CB 4.26Å; L52-I58 HydrophobicContact CD1-CG2 4.35Å; L52-I73 HydrophobicContact CD2-CD1 3.95Å; L52-I73 HydrophobicContact CD2-CG1 4.43Å; L52-I73 HydrophobicContact CD2-CG2 3.8Å; L52-F143 HydrophobicContact CD2-CE1 3.88Å; L52-F143 HydrophobicContact CD2-CZ 4.27Å
53	P	83.7	Confident	86.9	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.032	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-60	150.6	168.7	-16.3	28.4	0	0	0	110.5	G55 Y56	P53-G55 PolarHBondContact O-N 3.04Å; P53-Y56 HydrophobicContact CB-CD2 3.61Å; P53-Y56 HydrophobicContact CB-CE2 4.05Å; P53-Y56 HydrophobicContact CB-CG 4.23Å; P53-Y56 HydrophobicContact CG-CD2 4.18Å; P53-Y56 HydrophobicContact CG-CG 4.37Å; P53-Y56 WeakPolarHBondContact O-CB 3.47Å; P53-Y56 PolarHBondContact O-N 3.14Å
54	P	85.3	Confident	86.4	Confident	100 Å²	100	43.9 Å²	43.9	65%	0.649	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	133.8	-179	-26.6	34.8	0	0	0	112.8	Y56	P54-Y56 WeakPolarHBondContact O-CD2 3.48Å; P54-Y56 PolarHBondContact O-N 2.89Å
55	G	86.9	Confident	85.4	Confident	43 Å²	43	45.4 Å²	45.4	44%	0.443	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-9.9	-178	0	0	0	0	0	115	P53 P76	P53-G55 PolarHBondContact O-N 3.04Å; G55-P76 WeakPolarHBondContact O-CD 3.13Å
56	Y	90.2	Very high	84.3	Confident	11 Å²	11	45 Å²	45	4%	0.043	29%	0.288	C	S	.	.			trans	-85	146.1	176.8	-73.7	-102.8	0	0	0	112	Y2 P53 P54 I73 V74 N75 D80 L82	Y2-Y56 HydrophobicContact CD1-CE2 4.38Å; Y2-Y56 AromaticContact CE1-CE2 3.88Å; Y2-Y56 HydrophobicContact CE1-CE2 3.88Å; P53-Y56 HydrophobicContact CB-CD2 3.61Å; P53-Y56 HydrophobicContact CB-CE2 4.05Å; P53-Y56 HydrophobicContact CB-CG 4.23Å; P53-Y56 HydrophobicContact CG-CD2 4.18Å; P53-Y56 HydrophobicContact CG-CG 4.37Å; P53-Y56 WeakPolarHBondContact O-CB 3.47Å; P53-Y56 PolarHBondContact O-N 3.14Å; P54-Y56 WeakPolarHBondContact O-CD2 3.48Å; P54-Y56 PolarHBondContact O-N 2.89Å; Y56-I73 HydrophobicContact CD1-CG2 3.82Å; Y56-I73 HydrophobicContact CG-CG2 4.25Å; Y56-V74 CarbonylContact C-O 3.59Å; Y56-V74 VanDerWaalsContact CA-O 3.31Å; Y56-V74 WeakPolarHBondContact CA-O 3.43Å; Y56-N75 HydrophobicContact CD1-CB 3.88Å; Y56-N75 HydrophobicContact CD2-CB 4Å; Y56-N75 HydrophobicContact CE1-CB 3.81Å; Y56-N75 HydrophobicContact CE2-CB 3.9Å; Y56-N75 HydrophobicContact CG-CB 4.03Å; Y56-D80 HydrophobicContact CE1-CB 4.22Å; Y56-D80 VanDerWaalsContact OH-CB 3.25Å; Y56-D80 WeakPolarHBondContact OH-CB 3.38Å; Y56-L82 HydrophobicContact CD1-CD1 4.32Å; Y56-L82 HydrophobicContact CE1-CD1 3.88Å; Y56-L82 HydrophobicContact CE1-CG 4.07Å
57	Q	89.5	Confident	83.5	Confident	107 Å²	107	45 Å²	45	50%	0.5	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.4	179.1	-58.9	179.9	12.1	0	0	109.8	S59 I73 V74 P76	Q57-S59 PolarHBondContact O-N 3.32Å; Q57-I73 WeakPolarHBondContact O-CA 3.33Å; Q57-V74 PolarHBondContact N-O 3.3Å; Q57-V74 PolarHBondContact O-N 3.19Å; Q57-P76 HydrophobicContact CG-CG 4.34Å
58	I	89.5	Confident	83.2	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.082	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	119.7	172.9	-178.3	160.3	0	0	0	110.1	I44 K45 A48 L52 Y71 I73	I44-I58 HydrophobicContact CG2-CD1 3.67Å; K45-I58 HydrophobicContact CB-CG2 4.3Å; K45-I58 HydrophobicContact CG-CG2 3.86Å; A48-I58 HydrophobicContact CB-CD1 4.44Å; A48-I58 HydrophobicContact CB-CG2 4.33Å; L52-I58 HydrophobicContact CD1-CB 4.26Å; L52-I58 HydrophobicContact CD1-CG2 4.35Å; I58-Y71 HydrophobicContact CD1-CD1 3.87Å; I58-Y71 HydrophobicContact CD1-CD2 4.19Å; I58-Y71 HydrophobicContact CD1-CE1 4.49Å; I58-Y71 HydrophobicContact CD1-CG 3.71Å; I58-Y71 HydrophobicContact CG1-CD1 3.94Å; I58-Y71 HydrophobicContact CG1-CG 4.07Å; I58-I73 HydrophobicContact CB-CD1 3.75Å; I58-I73 HydrophobicContact CD1-CD1 4.13Å; I58-I73 HydrophobicContact CG1-CD1 3.76Å
59	S	85.9	Confident	83.1	Confident	36 Å²	36	46 Å²	46	25%	0.252	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-146.5	177.4	-168.9	0	0	0	0	110.2	Q57 L72	Q57-S59 PolarHBondContact O-N 3.32Å; S59-L72 WeakPolarHBondContact CA-O 3.27Å; S59-L72 WeakPolarHBondContact CB-O 3.24Å; S59-L72 PolarHBondContact N-O 3.42Å
60	H	77.4	Confident	83.2	Confident	59 Å²	59	42.2 Å²	42.2	27%	0.273	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	159.3	-177.8	61.4	-79.8	0	0	0	112.8	L62 L72	H60-L62 PolarHBondContact O-N 2.98Å; H60-L72 PolarHBondContact O-N 3.04Å
61	C	82.2	Confident	83.2	Confident	24 Å²	24	39 Å²	39	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.1	173.5	-173.8	0	0	0	0	109.5	A63 V70 Y71 R497	C61-A63 PolarHBondContact SG-O 3.02Å; C61-V70 CarbonylContact C-O 3.51Å; C61-Y71 HydrophobicContact CB-CD1 4.09Å; C61-Y71 HydrophobicContact CB-CE1 3.78Å; C61-R497 PolarHBondContact O-NH1 3.26Å
62	L	80.2	Confident	83.2	Confident	20 Å²	20	39 Å²	39	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-44.5	176.1	-67.6	174.6	0	0	0	111.6	H60 V70 L72 L146 R429	H60-L62 PolarHBondContact O-N 2.98Å; L62-V70 HydrophobicContact CB-CG1 4.41Å; L62-V70 HydrophobicContact CD1-CG1 4.36Å; L62-V70 PolarHBondContact N-O 3.36Å; L62-L72 HydrophobicContact CD1-CB 3.91Å; L62-L72 HydrophobicContact CD2-CB 3.94Å; L62-L72 HydrophobicContact CG-CB 3.84Å; L62-L146 HydrophobicContact CD1-CD1 3.68Å; L62-R429 PolarHBondContact O-NH2 2.83Å
63	A	77.4	Confident	83.2	Confident	33 Å²	33	38.4 Å²	38.4	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.5	-176.7	0	0	0	0	0	111.6	C61 R69 V70	C61-A63 PolarHBondContact SG-O 3.02Å; A63-R69 CarbonylContact O-C 3.56Å; A63-R69 WeakPolarHBondContact O-CA 3.39Å; A63-V70 HydrophobicContact CB-CB 4.22Å; A63-V70 HydrophobicContact CB-CG2 4.4Å; A63-V70 PolarHBondContact N-O 2.99Å; A63-V70 PolarHBondContact O-N 3.33Å
64	E	76.8	Confident	83.4	Confident	36 Å²	36	38.6 Å²	38.6	17%	0.168	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.8	174.5	-177.2	169.7	-168.9	0	0	108.2	R69 R482 V499	E64-R69 HydrophobicContact CB-CG 4.28Å; E64-R69 HydrophobicContact CG-CG 3.94Å; E64-R69 IonicContact OE1-CZ 3.45Å; E64-R69 IonicContact OE1-NE 3.49Å; E64-R69 PolarHBondContact OE1-NE 3.32Å; E64-R69 IonicContact OE1-NH2 3.25Å; E64-R69 PolarHBondContact OE1-NH2 3.13Å; E64-R69 IonicContact OE2-NE 3.21Å; E64-R482 IonicContact OE1-CZ 3.03Å; E64-R482 IonicContact OE1-NH2 3.49Å; E64-R482 PolarHBondContact OE1-NH2 3.47Å; E64-R482 IonicContact OE2-CZ 2.83Å; E64-R482 IonicContact OE2-NE 3.19Å; E64-R482 PolarHBondContact OE2-NE 3.04Å; E64-R482 VanDerWaalsContact OE2-NE 3.15Å; E64-R482 IonicContact OE2-NH1 3.35Å; E64-R482 PolarHBondContact OE2-NH1 3.43Å; E64-R482 IonicContact OE2-NH2 3.6Å; E64-R482 PolarHBondContact OE2-NH2 3.37Å; E64-V499 CarbonylContact C-O 3.58Å; E64-V499 HydrophobicContact CG-CG1 4Å; E64-V499 VanDerWaalsContact O-O 3.12Å
65	G	69.5	Low	83.4	Confident	35 Å²	35	34.3 Å²	34.3	36%	0.361	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	174.9	179.6	0	0	0	0	0	111.3	I67 G68 V499	G65-I67 PolarHBondContact O-N 2.98Å; G65-I67 VanDerWaalsContact O-N 3.15Å; G65-G68 PolarHBondContact N-O 2.93Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-O 3.05Å; G65-V499 WeakPolarHBondContact CA-O 3.3Å
66	G	67.1	Low	83.3	Confident	81 Å²	81	34.3 Å²	34.3	84%	0.835	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.5	-175.6	0	0	0	0	0	114.6
67	I	74.9	Confident	83.1	Confident	103 Å²	103	40.5 Å²	40.5	53%	0.528	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.7	-178.6	61.3	174.1	0	0	0	113.8	G65 V87	G65-I67 PolarHBondContact O-N 2.98Å; G65-I67 VanDerWaalsContact O-N 3.15Å; I67-V87 WeakPolarHBondContact O-CG1 3.21Å; I67-V87 WeakPolarHBondContact O-CG2 3.35Å
68	G	84.7	Confident	83	Confident	19 Å²	19	38.6 Å²	38.6	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-168.3	-174.1	0	0	0	0	0	114.8	G65 V86	G65-G68 PolarHBondContact N-O 2.93Å; G65-G68 PolarHBondContact O-N 3.25Å; G65-G68 VanDerWaalsContact O-O 3.05Å; G68-V86 CarbonylContact C-O 3.53Å; G68-V86 VanDerWaalsContact CA-O 3.26Å; G68-V86 WeakPolarHBondContact CA-O 3.25Å
69	R	87.9	Confident	82.5	Confident	37 Å²	37	41.6 Å²	41.6	14%	0.14	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.8	-178.1	-70.4	-177.8	-178.6	101.9	4.8	110.7	E37 A63 E64 Y71 K85 V86	E37-R69 VanDerWaalsContact CD-NH2 3.31Å; E37-R69 IonicContact OE1-CZ 2.83Å; E37-R69 IonicContact OE1-NE 3.44Å; E37-R69 PolarHBondContact OE1-NE 2.96Å; E37-R69 IonicContact OE1-NH2 2.81Å; E37-R69 PolarHBondContact OE1-NH2 3.35Å; E37-R69 IonicContact OE2-CZ 3.56Å; E37-R69 IonicContact OE2-NH2 3.8Å; E37-R69 PolarHBondContact OE2-NH2 2.99Å; A63-R69 CarbonylContact O-C 3.56Å; A63-R69 WeakPolarHBondContact O-CA 3.39Å; E64-R69 HydrophobicContact CB-CG 4.28Å; E64-R69 HydrophobicContact CG-CG 3.94Å; E64-R69 IonicContact OE1-CZ 3.45Å; E64-R69 IonicContact OE1-NE 3.49Å; E64-R69 PolarHBondContact OE1-NE 3.32Å; E64-R69 IonicContact OE1-NH2 3.25Å; E64-R69 PolarHBondContact OE1-NH2 3.13Å; E64-R69 IonicContact OE2-NE 3.21Å; R69-Y71 HydrophobicContact CB-CD2 4.16Å; R69-Y71 HydrophobicContact CB-CE2 3.51Å; R69-Y71 WeakPolarHBondContact CD-OH 3.41Å; R69-K85 CarbonylContact O-C 3.51Å; R69-V86 PolarHBondContact N-O 3.45Å; R69-V86 PolarHBondContact O-N 3.36Å
70	V	90.4	Very high	82.5	Confident	37 Å²	37	43.2 Å²	43.2	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125	174.7	-174.9	0	0	0	0	108.4	C61 L62 A63 A83 A84 K85	C61-V70 CarbonylContact C-O 3.51Å; L62-V70 HydrophobicContact CB-CG1 4.41Å; L62-V70 HydrophobicContact CD1-CG1 4.36Å; L62-V70 PolarHBondContact N-O 3.36Å; A63-V70 HydrophobicContact CB-CB 4.22Å; A63-V70 HydrophobicContact CB-CG2 4.4Å; A63-V70 PolarHBondContact N-O 2.99Å; A63-V70 PolarHBondContact O-N 3.33Å; V70-A83 HydrophobicContact CG1-CB 4.08Å; V70-A84 CarbonylContact C-O 3.57Å; V70-A84 VanDerWaalsContact CA-O 3.26Å; V70-A84 WeakPolarHBondContact CA-O 3.38Å; V70-K85 HydrophobicContact CG2-CB 4.33Å
71	Y	89.5	Confident	83	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.6	178.2	-71.5	-95.2	0	0	0	111.4	I44 I58 C61 R69 A83 A84 V86	I44-Y71 HydrophobicContact CD1-CE2 3.93Å; I44-Y71 WeakPolarHBondContact CD1-OH 3.44Å; I44-Y71 HydrophobicContact CG2-CE2 4.15Å; I58-Y71 HydrophobicContact CD1-CD1 3.87Å; I58-Y71 HydrophobicContact CD1-CD2 4.19Å; I58-Y71 HydrophobicContact CD1-CE1 4.49Å; I58-Y71 HydrophobicContact CD1-CG 3.71Å; I58-Y71 HydrophobicContact CG1-CD1 3.94Å; I58-Y71 HydrophobicContact CG1-CG 4.07Å; C61-Y71 HydrophobicContact CB-CD1 4.09Å; C61-Y71 HydrophobicContact CB-CE1 3.78Å; R69-Y71 HydrophobicContact CB-CD2 4.16Å; R69-Y71 HydrophobicContact CB-CE2 3.51Å; R69-Y71 WeakPolarHBondContact CD-OH 3.41Å; Y71-A83 CarbonylContact O-C 3.59Å; Y71-A83 WeakPolarHBondContact O-CA 3.32Å; Y71-A84 PolarHBondContact N-O 3.13Å; Y71-A84 PolarHBondContact O-N 3.33Å; Y71-V86 HydrophobicContact CD2-CB 4.28Å; Y71-V86 HydrophobicContact CD2-CG2 3.69Å; Y71-V86 HydrophobicContact CE2-CB 4.37Å; Y71-V86 HydrophobicContact CE2-CG2 4.22Å
72	L	88.6	Confident	83.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.3	166.2	175.9	63.1	0	0	0	108.8	S59 H60 L62 V74 C81 L146	S59-L72 WeakPolarHBondContact CA-O 3.27Å; S59-L72 WeakPolarHBondContact CB-O 3.24Å; S59-L72 PolarHBondContact N-O 3.42Å; H60-L72 PolarHBondContact O-N 3.04Å; L62-L72 HydrophobicContact CD1-CB 3.91Å; L62-L72 HydrophobicContact CD2-CB 3.94Å; L62-L72 HydrophobicContact CG-CB 3.84Å; L72-V74 HydrophobicContact CD1-CG2 4.05Å; L72-V74 HydrophobicContact CD2-CG2 3.84Å; L72-V74 HydrophobicContact CG-CG2 3.66Å; L72-C81 HydrophobicContact CD1-CB 4.11Å; L72-L146 HydrophobicContact CD1-CD1 4.18Å; L72-L146 HydrophobicContact CD1-CD2 3.58Å
73	I	89.5	Confident	84	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.3	176	-53.1	-57.2	0	0	0	107.7	L52 Y56 Q57 I58 C81 L82 A84	L52-I73 HydrophobicContact CD2-CD1 3.95Å; L52-I73 HydrophobicContact CD2-CG1 4.43Å; L52-I73 HydrophobicContact CD2-CG2 3.8Å; Y56-I73 HydrophobicContact CD1-CG2 3.82Å; Y56-I73 HydrophobicContact CG-CG2 4.25Å; Q57-I73 WeakPolarHBondContact O-CA 3.33Å; I58-I73 HydrophobicContact CB-CD1 3.75Å; I58-I73 HydrophobicContact CD1-CD1 4.13Å; I58-I73 HydrophobicContact CG1-CD1 3.76Å; I73-C81 CarbonylContact O-C 3.57Å; I73-C81 WeakPolarHBondContact O-CA 3.39Å; I73-L82 HydrophobicContact CB-CB 4.23Å; I73-L82 PolarHBondContact N-O 2.86Å; I73-L82 PolarHBondContact O-N 3.28Å; I73-A84 HydrophobicContact CD1-CB 3.92Å; I73-A84 HydrophobicContact CG1-CB 3.57Å
74	V	87.3	Confident	84.7	Confident	10 Å²	10	39 Å²	39	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.1	-169.4	175.9	0	0	0	0	109.7	Y56 Q57 L72 P76 D80 L405	Y56-V74 CarbonylContact C-O 3.59Å; Y56-V74 VanDerWaalsContact CA-O 3.31Å; Y56-V74 WeakPolarHBondContact CA-O 3.43Å; Q57-V74 PolarHBondContact N-O 3.3Å; Q57-V74 PolarHBondContact O-N 3.19Å; L72-V74 HydrophobicContact CD1-CG2 4.05Å; L72-V74 HydrophobicContact CD2-CG2 3.84Å; L72-V74 HydrophobicContact CG-CG2 3.66Å; V74-P76 WeakPolarHBondContact O-CD 3.35Å; V74-D80 WeakPolarHBondContact CA-O 3.47Å; V74-L405 HydrophobicContact CB-CD2 4.27Å; V74-L405 HydrophobicContact CG1-CD2 3.72Å; V74-L405 HydrophobicContact CG2-CD2 3.65Å
75	N	86.5	Confident	85.5	Confident	9 Å²	9	38 Å²	38	5%	0.048	24%	0.235	C	C	.	.			trans	-90.2	111.3	159.7	-176	-44.8	0	0	0	108.5	Y56 D77 T78 K79 D80	Y56-N75 HydrophobicContact CD1-CB 3.88Å; Y56-N75 HydrophobicContact CD2-CB 4Å; Y56-N75 HydrophobicContact CE1-CB 3.81Å; Y56-N75 HydrophobicContact CE2-CB 3.9Å; Y56-N75 HydrophobicContact CG-CB 4.03Å; N75-D77 PolarHBondContact O-N 3.45Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 PolarHBondContact OD1-N 3.38Å; N75-T78 WeakPolarHBondContact CB-OG1 3.45Å; N75-T78 VanDerWaalsContact CG-OG1 3.32Å; N75-T78 PolarHBondContact OD1-N 2.89Å; N75-K79 WeakPolarHBondContact O-CA 3.34Å; N75-K79 PolarHBondContact O-N 2.81Å; N75-D80 HydrophobicContact CB-CB 4.45Å; N75-D80 PolarHBondContact N-O 3.01Å
76	P	83.9	Confident	86.7	Confident	44 Å²	44	36.5 Å²	36.5	29%	0.286	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.3	-176.1	-23.4	35.3	0	0	0	114.1	G55 Q57 V74 K79	G55-P76 WeakPolarHBondContact O-CD 3.13Å; Q57-P76 HydrophobicContact CG-CG 4.34Å; V74-P76 WeakPolarHBondContact O-CD 3.35Å; P76-K79 WeakPolarHBondContact O-CE 3.28Å; P76-K79 PolarHBondContact O-NZ 3.28Å
77	D	86.5	Confident	87.9	Confident	140 Å²	140	33.1 Å²	33.1	75%	0.749	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-48.7	-176.6	-57.4	-36.3	0	0	0	111.1	N75	N75-D77 PolarHBondContact O-N 3.45Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 PolarHBondContact OD1-N 3.38Å
78	T	86.6	Confident	88.7	Confident	68 Å²	68	30.5 Å²	30.5	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-14.1	-178.9	70.8	0	0	0	0	113.7	N75 D80	N75-T78 WeakPolarHBondContact CB-OG1 3.45Å; N75-T78 VanDerWaalsContact CG-OG1 3.32Å; N75-T78 PolarHBondContact OD1-N 2.89Å; T78-D80 WeakPolarHBondContact CB-OD2 3.38Å; T78-D80 PolarHBondContact O-N 2.94Å; T78-D80 VanDerWaalsContact OG1-CB 3.3Å; T78-D80 WeakPolarHBondContact OG1-CB 3.46Å; T78-D80 PolarHBondContact OG1-N 2.94Å; T78-D80 PolarHBondContact OG1-OD2 3.5Å
79	K	80.4	Confident	89	Confident	78 Å²	78	29.7 Å²	29.7	34%	0.339	16%	0.161	S	C	.	.			trans	62.9	9.9	-169.7	-49.8	-59.3	-174.4	-159.6	0	114.2	N75 P76 C81 D402 L405	N75-K79 WeakPolarHBondContact O-CA 3.34Å; N75-K79 PolarHBondContact O-N 2.81Å; P76-K79 WeakPolarHBondContact O-CE 3.28Å; P76-K79 PolarHBondContact O-NZ 3.28Å; K79-C81 PolarHBondContact O-SG 3.2Å; K79-D402 WeakPolarHBondContact CG-OD1 3.37Å; K79-L405 HydrophobicContact CD-CD1 4.01Å
80	D	85.2	Confident	88.9	Confident	70 Å²	70	30 Å²	30	37%	0.374	16%	0.162	S	C	.	.			trans	-66.1	137.8	175.6	-69.8	-42.1	0	0	0	110.8	Y56 V74 N75 T78	Y56-D80 HydrophobicContact CE1-CB 4.22Å; Y56-D80 VanDerWaalsContact OH-CB 3.25Å; Y56-D80 WeakPolarHBondContact OH-CB 3.38Å; V74-D80 WeakPolarHBondContact CA-O 3.47Å; N75-D80 HydrophobicContact CB-CB 4.45Å; N75-D80 PolarHBondContact N-O 3.01Å; T78-D80 WeakPolarHBondContact CB-OD2 3.38Å; T78-D80 PolarHBondContact O-N 2.94Å; T78-D80 VanDerWaalsContact OG1-CB 3.3Å; T78-D80 WeakPolarHBondContact OG1-CB 3.46Å; T78-D80 PolarHBondContact OG1-N 2.94Å; T78-D80 PolarHBondContact OG1-OD2 3.5Å
81	C	88.2	Confident	88.2	Confident	25 Å²	25	30.2 Å²	30.2	17%	0.169	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142	-173.7	-62.7	0	0	0	0	112.1	L72 I73 K79 L146	L72-C81 HydrophobicContact CD1-CB 4.11Å; I73-C81 CarbonylContact O-C 3.57Å; I73-C81 WeakPolarHBondContact O-CA 3.39Å; K79-C81 PolarHBondContact O-SG 3.2Å; C81-L146 HydrophobicContact CB-CD2 3.46Å; C81-L146 VanDerWaalsContact CB-CD2 3.46Å
82	L	91	Very high	87	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	163.2	176.7	-51.5	169.2	0	0	0	109.8	Y56 I73 Y131	Y56-L82 HydrophobicContact CD1-CD1 4.32Å; Y56-L82 HydrophobicContact CE1-CD1 3.88Å; Y56-L82 HydrophobicContact CE1-CG 4.07Å; I73-L82 HydrophobicContact CB-CB 4.23Å; I73-L82 PolarHBondContact N-O 2.86Å; I73-L82 PolarHBondContact O-N 3.28Å; L82-Y131 HydrophobicContact CD2-CD2 3.87Å; L82-Y131 HydrophobicContact CD2-CE2 3.45Å; L82-Y131 VanDerWaalsContact CD2-CE2 3.45Å
83	A	91.6	Very high	85.2	Confident	6 Å²	6	43 Å²	43	5%	0.05	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.2	166.7	0	0	0	0	0	109.7	V70 Y71 F143 M144 L146	V70-A83 HydrophobicContact CG1-CB 4.08Å; Y71-A83 CarbonylContact O-C 3.59Å; Y71-A83 WeakPolarHBondContact O-CA 3.32Å; A83-F143 CarbonylContact O-C 3.51Å; A83-M144 PolarHBondContact N-O 3.17Å; A83-M144 PolarHBondContact O-N 3.34Å; A83-L146 HydrophobicContact CB-CD1 4.24Å
84	A	93.7	Very high	83.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.1	172.5	0	0	0	0	0	110.6	V70 Y71 I73 V86 F141 M142 F143	V70-A84 CarbonylContact C-O 3.57Å; V70-A84 VanDerWaalsContact CA-O 3.26Å; V70-A84 WeakPolarHBondContact CA-O 3.38Å; Y71-A84 PolarHBondContact N-O 3.13Å; Y71-A84 PolarHBondContact O-N 3.33Å; I73-A84 HydrophobicContact CD1-CB 3.92Å; I73-A84 HydrophobicContact CG1-CB 3.57Å; A84-V86 HydrophobicContact CB-CG2 4.38Å; A84-F141 HydrophobicContact CB-CD1 4.42Å; A84-M142 CarbonylContact C-O 3.54Å; A84-M142 VanDerWaalsContact CA-O 3.31Å; A84-M142 WeakPolarHBondContact CA-O 3.2Å; A84-F143 HydrophobicContact CB-CD1 4.15Å; A84-F143 HydrophobicContact CB-CE1 4.23Å
85	K	93.6	Very high	81.5	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.065	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118	168	170.1	-180	174.6	-175.8	0	107.8	R69 V70 V87 E115 F141 M142 M144 D209	R69-K85 CarbonylContact O-C 3.51Å; V70-K85 HydrophobicContact CG2-CB 4.33Å; K85-V87 HydrophobicContact CG-CG2 4.42Å; K85-E115 IonicContact NZ-OE1 2.83Å; K85-E115 PolarHBondContact NZ-OE1 3.34Å; K85-E115 IonicContact NZ-OE2 2.95Å; K85-E115 PolarHBondContact NZ-OE2 3.36Å; K85-F141 CarbonylContact O-C 3.43Å; K85-F141 WeakPolarHBondContact O-CA 3.47Å; K85-M142 HydrophobicContact CB-CB 4.2Å; K85-M142 HydrophobicContact CD-SD 4.16Å; K85-M142 PolarHBondContact N-O 2.71Å; K85-M142 PolarHBondContact O-N 3.39Å; K85-M144 HydrophobicContact CB-CE 3.52Å; K85-M144 HydrophobicContact CB-SD 4.43Å; K85-D209 IonicContact NZ-OD1 3.14Å; K85-D209 PolarHBondContact NZ-OD1 2.76Å
86	V	93.9	Very high	80	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.4	-173.7	-172.1	0	0	0	0	108.6	I44 G68 R69 Y71 A84 F139 T140 F141	I44-V86 HydrophobicContact CD1-CG1 4.24Å; I44-V86 HydrophobicContact CG1-CG1 4.26Å; I44-V86 HydrophobicContact CG2-CG1 4.22Å; G68-V86 CarbonylContact C-O 3.53Å; G68-V86 VanDerWaalsContact CA-O 3.26Å; G68-V86 WeakPolarHBondContact CA-O 3.25Å; R69-V86 PolarHBondContact N-O 3.45Å; R69-V86 PolarHBondContact O-N 3.36Å; Y71-V86 HydrophobicContact CD2-CB 4.28Å; Y71-V86 HydrophobicContact CD2-CG2 3.69Å; Y71-V86 HydrophobicContact CE2-CB 4.37Å; Y71-V86 HydrophobicContact CE2-CG2 4.22Å; A84-V86 HydrophobicContact CB-CG2 4.38Å; V86-F139 HydrophobicContact CG1-CB 3.98Å; V86-F139 HydrophobicContact CG1-CD1 3.99Å; V86-F139 HydrophobicContact CG1-CG 4.13Å; V86-T140 WeakPolarHBondContact CA-O 3.46Å; V86-F141 HydrophobicContact CB-CD1 4.45Å; V86-F141 HydrophobicContact CB-CE1 4.37Å; V86-F141 HydrophobicContact CG1-CD1 4.3Å; V86-F141 HydrophobicContact CG1-CD2 4.41Å; V86-F141 HydrophobicContact CG1-CE1 3.93Å; V86-F141 HydrophobicContact CG1-CE2 4.1Å; V86-F141 HydrophobicContact CG1-CZ 3.83Å; V86-F141 HydrophobicContact CG2-CD1 3.5Å; V86-F141 HydrophobicContact CG2-CE1 3.48Å; V86-F141 VanDerWaalsContact CG2-CE1 3.48Å; V86-F141 HydrophobicContact CG2-CG 4.25Å; V86-F141 HydrophobicContact CG2-CZ 4.25Å
87	V	92.6	Very high	78.6	Confident	10 Å²	10	62.8 Å²	62.8	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.4	-178.7	177.3	0	0	0	0	109.2	I67 K85 V89 V108 L112 F139 T140	I67-V87 WeakPolarHBondContact O-CG1 3.21Å; I67-V87 WeakPolarHBondContact O-CG2 3.35Å; K85-V87 HydrophobicContact CG-CG2 4.42Å; V87-V89 PolarHBondContact O-N 3.37Å; V87-V108 HydrophobicContact CG1-CG1 4.32Å; V87-L112 HydrophobicContact CB-CD1 3.81Å; V87-L112 HydrophobicContact CG1-CD1 3.86Å; V87-L112 HydrophobicContact CG2-CD1 4.05Å; V87-L112 HydrophobicContact CG2-CD2 4.02Å; V87-F139 CarbonylContact O-C 3.57Å; V87-F139 WeakPolarHBondContact O-CA 3.34Å; V87-T140 PolarHBondContact N-O 3.15Å; V87-T140 PolarHBondContact O-N 2.86Å
88	N	91.3	Very high	77.2	Confident	49 Å²	49	60.1 Å²	60.1	26%	0.262	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.2	169.5	-178.3	-10.7	0	0	0	109	Y90 G91 T138 F139	N88-Y90 PolarHBondContact O-N 2.82Å; N88-Y90 PolarHBondContact OD1-N 3.33Å; N88-G91 PolarHBondContact ND2-O 3.5Å; N88-G91 PolarHBondContact O-N 3.39Å; N88-T138 PolarHBondContact OD1-O 3.33Å; N88-F139 HydrophobicContact CB-CD1 4.02Å; N88-F139 HydrophobicContact CB-CE1 3.92Å
89	V	90.2	Very high	76.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.006	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.5	-175.4	-60.3	0	0	0	0	113.3	V87 G91 V105 V108 R109 T138	V87-V89 PolarHBondContact O-N 3.37Å; V89-G91 VanDerWaalsContact C-N 3.33Å; V89-V105 HydrophobicContact CB-CB 4.49Å; V89-V105 HydrophobicContact CB-CG1 3.98Å; V89-V105 HydrophobicContact CB-CG2 4.25Å; V89-V105 HydrophobicContact CG2-CB 4.38Å; V89-V105 HydrophobicContact CG2-CG1 3.65Å; V89-V105 HydrophobicContact CG2-CG2 3.96Å; V89-V105 WeakPolarHBondContact O-CG2 3.21Å; V89-V108 HydrophobicContact CG1-CG1 4.36Å; V89-R109 HydrophobicContact CG1-CG 3.84Å; V89-T138 WeakPolarHBondContact CG2-O 3.29Å; V89-T138 PolarHBondContact N-O 3.49Å; V89-T138 VanDerWaalsContact N-O 3.14Å
90	Y	85.7	Confident	75.4	Confident	44 Å²	44	67 Å²	67	17%	0.173	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.2	173.2	-61.6	-81.2	0	0	0	112.7	N88 S93 R96 V105 T138	N88-Y90 PolarHBondContact O-N 2.82Å; N88-Y90 PolarHBondContact OD1-N 3.33Å; Y90-S93 WeakPolarHBondContact O-CB 3.44Å; Y90-S93 PolarHBondContact O-N 3.19Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-R96 HydrophobicContact CD1-CG 4.32Å; Y90-R96 HydrophobicContact CE1-CB 4.25Å; Y90-R96 HydrophobicContact CE1-CG 4.06Å; Y90-R96 HydrophobicContact CE2-CG 4.43Å; Y90-V105 HydrophobicContact CD1-CG2 3.58Å; Y90-V105 HydrophobicContact CE1-CG2 3.53Å; Y90-V105 HydrophobicContact CG-CG2 4.14Å; Y90-T138 HydrophobicContact CD2-CG2 3.97Å; Y90-T138 HydrophobicContact CE2-CG2 4.31Å
91	G	75.9	Confident	74.6	Confident	41 Å²	41	64.5 Å²	64.5	42%	0.423	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-138.2	-174.5	0	0	0	0	0	112	N88 V89 S93	N88-G91 PolarHBondContact ND2-O 3.5Å; N88-G91 PolarHBondContact O-N 3.39Å; V89-G91 VanDerWaalsContact C-N 3.33Å; G91-S93 VanDerWaalsContact C-N 3.31Å
92	Q	64.4	Low	74	Confident	202 Å²	202	69.1 Å²	69.1	94%	0.944	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.7	172.4	-65.3	-179.7	-4	0	0	113	K94	Q92-K94 PolarHBondContact O-N 2.91Å
93	S	51.2	Low	73.1	Confident	70 Å²	70	72.9 Å²	72.9	49%	0.49	38%	0.383	S	S	.	.			trans	-79.2	117.9	-176	-172	0	0	0	0	110.7	Y90 G91 L95	Y90-S93 WeakPolarHBondContact O-CB 3.44Å; Y90-S93 PolarHBondContact O-N 3.19Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; G91-S93 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 3Å
94	K	50.6	Low	72.8	Confident	161 Å²	161	76.2 Å²	76.2	70%	0.7	40%	0.4	S	S	*	.			trans	-71.7	-12	176	-67.7	-174.7	178.7	176.5	0	113.6	E36 Q92 R96	E36-K94 WeakPolarHBondContact OE1-CE 3.18Å; E36-K94 IonicContact OE1-NZ 3.12Å; E36-K94 PolarHBondContact OE1-NZ 3.48Å; Q92-K94 PolarHBondContact O-N 2.91Å; K94-R96 PolarHBondContact O-N 2.89Å; K94-R96 VanDerWaalsContact O-N 3.13Å
95	L	48.3	Very low	72.5	Confident	91 Å²	91	76.8 Å²	76.8	48%	0.476	40%	0.403	S	S	.	.			trans	-85.5	91.2	-171	-135.3	76.4	0	0	0	111	S93 S97 N98 A101	S93-L95 PolarHBondContact O-N 3Å; L95-S97 PolarHBondContact O-N 2.64Å; L95-N98 WeakPolarHBondContact CD2-ND2 3.43Å; L95-A101 WeakPolarHBondContact O-CB 3.42Å
96	R	55.5	Low	72.4	Confident	132 Å²	132	79.6 Å²	79.6	50%	0.498	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.1	175.1	-68.1	-173.6	179.9	-150.7	-4.2	113.8	Y90 K94 T138	Y90-R96 HydrophobicContact CD1-CG 4.32Å; Y90-R96 HydrophobicContact CE1-CB 4.25Å; Y90-R96 HydrophobicContact CE1-CG 4.06Å; Y90-R96 HydrophobicContact CE2-CG 4.43Å; K94-R96 PolarHBondContact O-N 2.89Å; K94-R96 VanDerWaalsContact O-N 3.13Å; R96-T138 PolarHBondContact NH2-OG1 3.04Å
97	S	54.1	Low	72.2	Confident	95 Å²	95	84.4 Å²	84.4	66%	0.664	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	14.9	-157	66.1	0	0	0	0	116.8	L95	L95-S97 PolarHBondContact O-N 2.64Å
98	N	57.8	Low	72	Confident	84 Å²	84	85.3 Å²	85.3	45%	0.449	45%	0.452	S	S	.	.	S	Bend	trans	-107.1	142.6	173.7	-75.9	3	0	0	0	110.2	L95 K100 A101 E102	L95-N98 WeakPolarHBondContact CD2-ND2 3.43Å; N98-K100 PolarHBondContact O-N 3.39Å; N98-K100 VanDerWaalsContact O-N 3.09Å; N98-A101 WeakPolarHBondContact O-CA 3.42Å; N98-A101 VanDerWaalsContact O-CB 3.24Å; N98-A101 WeakPolarHBondContact O-CB 3.48Å; N98-A101 PolarHBondContact O-N 3.47Å; N98-E102 PolarHBondContact O-N 2.9Å
99	T	63.5	Low	72.1	Confident	111 Å²	111	85.1 Å²	85.1	68%	0.681	45%	0.448	S	S	*	.	H	α-helix	trans	-51.6	-33.9	174.8	38.8	0	0	0	0	113.2	A101 E102 V103	T99-A101 VanDerWaalsContact C-N 3.3Å; T99-A101 PolarHBondContact O-N 2.84Å; T99-E102 PolarHBondContact O-N 2.96Å; T99-V103 WeakPolarHBondContact O-CG2 3.49Å; T99-V103 PolarHBondContact O-N 3.36Å; T99-V103 VanDerWaalsContact O-N 3.12Å
100	K	66.3	Low	72.2	Confident	180 Å²	180	87.8 Å²	87.8	78%	0.783	47%	0.47	S	S	*	.	H	α-helix	trans	-61.4	-35.2	172	-71.5	-174	177.7	-178.3	0	113.3	N98 N104	N98-K100 PolarHBondContact O-N 3.39Å; N98-K100 VanDerWaalsContact O-N 3.09Å; K100-N104 WeakPolarHBondContact O-CB 3.38Å; K100-N104 PolarHBondContact O-N 3.02Å; K100-N104 VanDerWaalsContact O-N 3.13Å
101	A	67.9	Low	72.5	Confident	17 Å²	17	90.7 Å²	90.7	14%	0.14	49%	0.485	C	S	.	.	H	α-helix	trans	-70.6	-41.5	177.6	0	0	0	0	0	111.2	L95 N98 T99 N104 V105	L95-A101 WeakPolarHBondContact O-CB 3.42Å; N98-A101 WeakPolarHBondContact O-CA 3.42Å; N98-A101 VanDerWaalsContact O-CB 3.24Å; N98-A101 WeakPolarHBondContact O-CB 3.48Å; N98-A101 PolarHBondContact O-N 3.47Å; T99-A101 VanDerWaalsContact C-N 3.3Å; T99-A101 PolarHBondContact O-N 2.84Å; A101-N104 WeakPolarHBondContact O-CB 3.4Å; A101-N104 PolarHBondContact O-N 3.4Å; A101-V105 VanDerWaalsContact O-CG2 3.27Å; A101-V105 WeakPolarHBondContact O-CG2 3.31Å; A101-V105 PolarHBondContact O-N 3.45Å
102	E	74.4	Confident	73.4	Confident	123 Å²	123	89.3 Å²	89.3	58%	0.575	47%	0.468	S	S	*	.	H	α-helix	trans	-63.4	-43.4	177.1	-66.2	178.6	168.5	0	0	112.5	N98 T99 N104 V105 S106	N98-E102 PolarHBondContact O-N 2.9Å; T99-E102 PolarHBondContact O-N 2.96Å; E102-N104 VanDerWaalsContact C-N 3.31Å; E102-N104 PolarHBondContact O-N 3.1Å; E102-V105 PolarHBondContact O-N 3.26Å; E102-S106 PolarHBondContact O-N 3.23Å; E102-S106 PolarHBondContact O-OG 3.4Å
103	V	72.8	Confident	74.8	Confident	94 Å²	94	83.6 Å²	83.6	57%	0.57	44%	0.438	S	S	*	.	H	α-helix	trans	-62.4	-40	174.6	174.9	0	0	0	0	111	T99 S106 Q107	T99-V103 WeakPolarHBondContact O-CG2 3.49Å; T99-V103 PolarHBondContact O-N 3.36Å; T99-V103 VanDerWaalsContact O-N 3.12Å; V103-S106 PolarHBondContact O-OG 3.09Å; V103-Q107 WeakPolarHBondContact O-CB 3.3Å; V103-Q107 PolarHBondContact O-N 3.17Å; V103-Q107 VanDerWaalsContact O-N 3.11Å
104	N	85.3	Confident	76.8	Confident	77 Å²	77	86 Å²	86	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-42.1	176.4	-168.7	36.4	0	0	0	111.9	K100 A101 E102 Q107 V108	K100-N104 WeakPolarHBondContact O-CB 3.38Å; K100-N104 PolarHBondContact O-N 3.02Å; K100-N104 VanDerWaalsContact O-N 3.13Å; A101-N104 WeakPolarHBondContact O-CB 3.4Å; A101-N104 PolarHBondContact O-N 3.4Å; E102-N104 VanDerWaalsContact C-N 3.31Å; E102-N104 PolarHBondContact O-N 3.1Å; N104-Q107 PolarHBondContact O-N 3.34Å; N104-V108 VanDerWaalsContact O-CG2 3.32Å; N104-V108 WeakPolarHBondContact O-CG2 3.43Å; N104-V108 PolarHBondContact O-N 2.99Å
105	V	88.5	Confident	78.9	Confident	11 Å²	11	79.1 Å²	79.1	7%	0.067	41%	0.412	C	S	.	.	H	α-helix	trans	-61.8	-45.4	177.5	166.4	0	0	0	0	111.6	V89 Y90 A101 E102 Q107 V108 R109	V89-V105 HydrophobicContact CB-CB 4.49Å; V89-V105 HydrophobicContact CB-CG1 3.98Å; V89-V105 HydrophobicContact CB-CG2 4.25Å; V89-V105 HydrophobicContact CG2-CB 4.38Å; V89-V105 HydrophobicContact CG2-CG1 3.65Å; V89-V105 HydrophobicContact CG2-CG2 3.96Å; V89-V105 WeakPolarHBondContact O-CG2 3.21Å; Y90-V105 HydrophobicContact CD1-CG2 3.58Å; Y90-V105 HydrophobicContact CE1-CG2 3.53Å; Y90-V105 HydrophobicContact CG-CG2 4.14Å; A101-V105 VanDerWaalsContact O-CG2 3.27Å; A101-V105 WeakPolarHBondContact O-CG2 3.31Å; A101-V105 PolarHBondContact O-N 3.45Å; E102-V105 PolarHBondContact O-N 3.26Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 3.44Å; V105-V108 PolarHBondContact O-N 3.47Å; V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 WeakPolarHBondContact O-CG 3.45Å; V105-R109 PolarHBondContact O-N 3.44Å
106	S	89.4	Confident	81	Confident	74 Å²	74	75 Å²	75	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-65.8	-37.6	179.8	64.3	0	0	0	0	111.8	E102 V103 A110	E102-S106 PolarHBondContact O-N 3.23Å; E102-S106 PolarHBondContact O-OG 3.4Å; V103-S106 PolarHBondContact O-OG 3.09Å; S106-A110 WeakPolarHBondContact O-CB 3.47Å; S106-A110 PolarHBondContact O-N 2.73Å
107	Q	89.8	Confident	82.8	Confident	105 Å²	105	73.2 Å²	73.2	49%	0.491	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-51.6	172.9	-177.6	179	-13.9	0	0	111.9	V103 N104 V105 R109 A110 E111	V103-Q107 WeakPolarHBondContact O-CB 3.3Å; V103-Q107 PolarHBondContact O-N 3.17Å; V103-Q107 VanDerWaalsContact O-N 3.11Å; N104-Q107 PolarHBondContact O-N 3.34Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 3.44Å; Q107-R109 VanDerWaalsContact C-N 3.3Å; Q107-R109 PolarHBondContact O-N 2.9Å; Q107-A110 WeakPolarHBondContact O-CB 3.24Å; Q107-A110 PolarHBondContact O-N 3.27Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.36Å; Q107-E111 PolarHBondContact NE2-OE1 3.4Å; Q107-E111 WeakPolarHBondContact O-CG 3.44Å; Q107-E111 PolarHBondContact O-N 3.13Å
108	V	90.4	Very high	84.7	Confident	30 Å²	30	69.5 Å²	69.5	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-43.6	178.8	171	0	0	0	0	111.1	V87 V89 N104 V105 A110 E111 L112	V87-V108 HydrophobicContact CG1-CG1 4.32Å; V89-V108 HydrophobicContact CG1-CG1 4.36Å; N104-V108 VanDerWaalsContact O-CG2 3.32Å; N104-V108 WeakPolarHBondContact O-CG2 3.43Å; N104-V108 PolarHBondContact O-N 2.99Å; V105-V108 PolarHBondContact O-N 3.47Å; V108-A110 VanDerWaalsContact C-N 3.33Å; V108-A110 PolarHBondContact O-N 3.14Å; V108-E111 PolarHBondContact O-N 3.17Å; V108-L112 HydrophobicContact CG1-CD1 4.02Å; V108-L112 WeakPolarHBondContact O-CG 3.39Å; V108-L112 PolarHBondContact O-N 3.41Å
109	R	93.4	Very high	86.6	Confident	44 Å²	44	65.6 Å²	65.6	17%	0.166	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-36.4	176.3	-75.6	-176.3	175.9	160.8	5.5	112.5	D14 V89 V105 Q107 R113 T136 P137	D14-R109 IonicContact OD1-NH1 3.48Å; V89-R109 HydrophobicContact CG1-CG 3.84Å; V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 WeakPolarHBondContact O-CG 3.45Å; V105-R109 PolarHBondContact O-N 3.44Å; Q107-R109 VanDerWaalsContact C-N 3.3Å; Q107-R109 PolarHBondContact O-N 2.9Å; R109-R113 VanDerWaalsContact O-CB 3.22Å; R109-R113 WeakPolarHBondContact O-CB 3.44Å; R109-R113 PolarHBondContact O-N 3.07Å; R109-T136 PolarHBondContact NH2-O 2.88Å; R109-P137 PolarHBondContact NH2-O 3.18Å
110	A	92.2	Very high	88	Confident	57 Å²	57	64.5 Å²	64.5	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-66.7	-42.7	176.9	0	0	0	0	0	111.8	S106 Q107 V108 R113 Q114	S106-A110 WeakPolarHBondContact O-CB 3.47Å; S106-A110 PolarHBondContact O-N 2.73Å; Q107-A110 WeakPolarHBondContact O-CB 3.24Å; Q107-A110 PolarHBondContact O-N 3.27Å; V108-A110 VanDerWaalsContact C-N 3.33Å; V108-A110 PolarHBondContact O-N 3.14Å; A110-R113 PolarHBondContact O-N 3.31Å; A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 3.39Å
111	E	91.6	Very high	89.3	Confident	105 Å²	105	59.3 Å²	59.3	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-47.9	175.8	-69.9	170.8	-171.6	0	0	111.3	Q107 V108 R113 Q114 E115	Q107-E111 WeakPolarHBondContact CG-OE1 3.36Å; Q107-E111 PolarHBondContact NE2-OE1 3.4Å; Q107-E111 WeakPolarHBondContact O-CG 3.44Å; Q107-E111 PolarHBondContact O-N 3.13Å; V108-E111 PolarHBondContact O-N 3.17Å; E111-R113 VanDerWaalsContact C-N 3.33Å; E111-R113 PolarHBondContact O-N 3.49Å; E111-Q114 WeakPolarHBondContact O-CB 3.2Å; E111-Q114 PolarHBondContact O-N 3.42Å; E111-E115 PolarHBondContact O-N 3.01Å
112	L	93.4	Very high	90.6	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-36.8	176.4	-68.2	171.6	0	0	0	112.6	V87 V108 E115 A116 I133 T140 M142	V87-L112 HydrophobicContact CB-CD1 3.81Å; V87-L112 HydrophobicContact CG1-CD1 3.86Å; V87-L112 HydrophobicContact CG2-CD1 4.05Å; V87-L112 HydrophobicContact CG2-CD2 4.02Å; V108-L112 HydrophobicContact CG1-CD1 4.02Å; V108-L112 WeakPolarHBondContact O-CG 3.39Å; V108-L112 PolarHBondContact O-N 3.41Å; L112-E115 PolarHBondContact O-N 2.86Å; L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.45Å; L112-A116 PolarHBondContact O-N 2.85Å; L112-I133 HydrophobicContact CB-CD1 4.25Å; L112-T140 HydrophobicContact CB-CG2 4.24Å; L112-T140 HydrophobicContact CD1-CG2 3.67Å; L112-M142 HydrophobicContact CD2-SD 4.19Å
113	R	94.4	Very high	91.7	Very high	83 Å²	83	61.7 Å²	61.7	31%	0.313	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-41.4	174.9	-174.7	178.4	-175.5	111.1	6.9	111	V10 R109 A110 E111 A116 E117	V10-R113 PolarHBondContact O-NH2 2.96Å; R109-R113 VanDerWaalsContact O-CB 3.22Å; R109-R113 WeakPolarHBondContact O-CB 3.44Å; R109-R113 PolarHBondContact O-N 3.07Å; A110-R113 PolarHBondContact O-N 3.31Å; E111-R113 VanDerWaalsContact C-N 3.33Å; E111-R113 PolarHBondContact O-N 3.49Å; R113-A116 PolarHBondContact O-N 2.75Å; R113-E117 HydrophobicContact CG-CG 4.31Å; R113-E117 WeakPolarHBondContact CG-OE1 3.17Å; R113-E117 IonicContact CZ-OE1 3.02Å; R113-E117 IonicContact NE-OE1 2.77Å; R113-E117 PolarHBondContact NE-OE1 3.37Å; R113-E117 IonicContact NH2-OE1 2.8Å; R113-E117 WeakPolarHBondContact O-CB 3.44Å; R113-E117 VanDerWaalsContact O-CG 3.32Å; R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3.02Å
114	Q	92.7	Very high	92.9	Very high	119 Å²	119	58.6 Å²	58.6	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-63	-46	176.2	179.5	179.4	-5.7	0	0	111.6	A110 E111 A116 E117 L118	A110-Q114 WeakPolarHBondContact O-CB 3.23Å; A110-Q114 PolarHBondContact O-N 3.39Å; E111-Q114 WeakPolarHBondContact O-CB 3.2Å; E111-Q114 PolarHBondContact O-N 3.42Å; Q114-A116 VanDerWaalsContact C-N 3.29Å; Q114-A116 PolarHBondContact O-N 2.96Å; Q114-E117 PolarHBondContact O-N 3.48Å; Q114-L118 WeakPolarHBondContact O-CB 3.32Å; Q114-L118 PolarHBondContact O-N 3.03Å
115	E	94.4	Very high	93.4	Very high	17 Å²	17	59.3 Å²	59.3	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-54.3	-49.2	172.6	-179.6	-175.2	158.5	0	0	110.1	K85 E111 L112 L118 Q119 M142 F210	K85-E115 IonicContact NZ-OE1 2.83Å; K85-E115 PolarHBondContact NZ-OE1 3.34Å; K85-E115 IonicContact NZ-OE2 2.95Å; K85-E115 PolarHBondContact NZ-OE2 3.36Å; E111-E115 PolarHBondContact O-N 3.01Å; L112-E115 PolarHBondContact O-N 2.86Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-Q119 WeakPolarHBondContact O-CB 3.17Å; E115-Q119 PolarHBondContact O-N 3.29Å; E115-M142 HydrophobicContact CG-CE 4.01Å; E115-F210 HydrophobicContact CG-CB 4.22Å
116	A	94	Very high	93.9	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-45.7	-177.7	0	0	0	0	0	113.5	L112 R113 Q114 L118 Q119 R120 L130 I133 M142	L112-A116 VanDerWaalsContact O-CB 3.3Å; L112-A116 WeakPolarHBondContact O-CB 3.45Å; L112-A116 PolarHBondContact O-N 2.85Å; R113-A116 PolarHBondContact O-N 2.75Å; Q114-A116 VanDerWaalsContact C-N 3.29Å; Q114-A116 PolarHBondContact O-N 2.96Å; A116-L118 VanDerWaalsContact C-N 3.3Å; A116-L118 PolarHBondContact O-N 3.47Å; A116-Q119 PolarHBondContact O-N 2.96Å; A116-R120 WeakPolarHBondContact O-CB 3.45Å; A116-R120 PolarHBondContact O-N 3.49Å; A116-L130 HydrophobicContact CB-CD2 3.55Å; A116-L130 WeakPolarHBondContact O-CD2 3.29Å; A116-I133 HydrophobicContact CB-CB 4.03Å; A116-I133 HydrophobicContact CB-CD1 3.9Å; A116-I133 HydrophobicContact CB-CG2 4.03Å; A116-M142 HydrophobicContact CB-CE 4.23Å
117	E	93.1	Very high	94.3	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-38.2	178.2	-74.8	176.3	-177.4	0	0	111.7	R113 Q114	R113-E117 HydrophobicContact CG-CG 4.31Å; R113-E117 WeakPolarHBondContact CG-OE1 3.17Å; R113-E117 IonicContact CZ-OE1 3.02Å; R113-E117 IonicContact NE-OE1 2.77Å; R113-E117 PolarHBondContact NE-OE1 3.37Å; R113-E117 IonicContact NH2-OE1 2.8Å; R113-E117 WeakPolarHBondContact O-CB 3.44Å; R113-E117 VanDerWaalsContact O-CG 3.32Å; R113-E117 WeakPolarHBondContact O-CG 3.34Å; R113-E117 PolarHBondContact O-N 3.02Å; Q114-E117 PolarHBondContact O-N 3.48Å
118	L	94.6	Very high	94.7	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-49.4	175.6	-174.6	157	0	0	0	111.3	Q114 E115 A116 R121 L122 I187 F210 A213	Q114-L118 WeakPolarHBondContact O-CB 3.32Å; Q114-L118 PolarHBondContact O-N 3.03Å; E115-L118 PolarHBondContact O-N 3.3Å; A116-L118 VanDerWaalsContact C-N 3.3Å; A116-L118 PolarHBondContact O-N 3.47Å; L118-R121 WeakPolarHBondContact O-CG 3.29Å; L118-L122 HydrophobicContact CD2-CD1 4.24Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; L118-I187 HydrophobicContact CD1-CD1 4.39Å; L118-I187 HydrophobicContact CD1-CG1 4.36Å; L118-I187 HydrophobicContact CD2-CD1 3.62Å; L118-I187 HydrophobicContact CD2-CG1 4.35Å; L118-I187 HydrophobicContact CD2-CG2 4.23Å; L118-I187 HydrophobicContact CG-CD1 3.85Å; L118-I187 HydrophobicContact CG-CG1 4.35Å; L118-F210 HydrophobicContact CD2-CB 4.32Å; L118-F210 HydrophobicContact CD2-CD1 3.66Å; L118-F210 HydrophobicContact CD2-CE1 4.42Å; L118-F210 HydrophobicContact CD2-CG 4.29Å; L118-A213 HydrophobicContact CD1-CB 3.95Å; L118-A213 HydrophobicContact CD2-CB 3.94Å
119	Q	95.9	Very high	94.9	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-37.3	-175.9	-171.6	177.3	-2.5	0	0	112.5	E115 A116 R121 L122 A128 L130 F210	E115-Q119 WeakPolarHBondContact O-CB 3.17Å; E115-Q119 PolarHBondContact O-N 3.29Å; A116-Q119 PolarHBondContact O-N 2.96Å; Q119-R121 VanDerWaalsContact C-N 3.25Å; Q119-R121 PolarHBondContact O-N 2.91Å; Q119-L122 WeakPolarHBondContact O-CB 3.23Å; Q119-L122 WeakPolarHBondContact O-CG 3.06Å; Q119-L122 PolarHBondContact O-N 2.87Å; Q119-A128 PolarHBondContact NE2-O 3.21Å; Q119-L130 HydrophobicContact CB-CB 4.21Å; Q119-L130 HydrophobicContact CB-CD2 4.17Å; Q119-L130 HydrophobicContact CG-CB 3.86Å; Q119-F210 HydrophobicContact CB-CB 4.39Å; Q119-F210 HydrophobicContact CB-CD2 4.21Å; Q119-F210 HydrophobicContact CB-CG 4.28Å; Q119-F210 HydrophobicContact CG-CD2 3.7Å; Q119-F210 HydrophobicContact CG-CE2 4.03Å; Q119-F210 HydrophobicContact CG-CG 4.26Å
120	R	92.7	Very high	95	Very high	87 Å²	87	50 Å²	50	33%	0.328	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-28.2	-176.3	-171.4	174.7	67.3	153.1	2.1	113.6	S7 V10 A116 L122 L130	S7-R120 PolarHBondContact O-NH1 3.46Å; V10-R120 VanDerWaalsContact CG2-NH1 3.35Å; A116-R120 WeakPolarHBondContact O-CB 3.45Å; A116-R120 PolarHBondContact O-N 3.49Å; R120-L122 VanDerWaalsContact C-N 3.26Å; R120-L122 PolarHBondContact O-N 3.33Å; R120-L130 HydrophobicContact CB-CD2 4.46Å
121	R	93.6	Very high	95.1	Very high	71 Å²	71	50.1 Å²	50.1	27%	0.268	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.7	176.1	63.5	165.5	-178.3	114.6	-12.4	113.7	L118 Q119 Q185 I187 D215 R217	L118-R121 WeakPolarHBondContact O-CG 3.29Å; Q119-R121 VanDerWaalsContact C-N 3.25Å; Q119-R121 PolarHBondContact O-N 2.91Å; R121-Q185 PolarHBondContact NH1-O 3.48Å; R121-Q185 VanDerWaalsContact NH1-O 3.14Å; R121-Q185 PolarHBondContact NH2-O 3.04Å; R121-I187 VanDerWaalsContact CZ-CD1 3.45Å; R121-D215 IonicContact NH2-OD2 3.96Å; R121-D215 PolarHBondContact NH2-OD2 3.36Å; R121-R217 VanDerWaalsContact CZ-NH2 3.31Å
122	L	96.7	Very high	95	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	20%	0.203	C	C	.	.			trans	-84.5	124.5	-177.5	-49.8	176.8	0	0	0	110.4	L118 Q119 R120 I127 Y180 L181 Q185 I187 F210	L118-L122 HydrophobicContact CD2-CD1 4.24Å; L118-L122 WeakPolarHBondContact O-CG 3.47Å; Q119-L122 WeakPolarHBondContact O-CB 3.23Å; Q119-L122 WeakPolarHBondContact O-CG 3.06Å; Q119-L122 PolarHBondContact O-N 2.87Å; R120-L122 VanDerWaalsContact C-N 3.26Å; R120-L122 PolarHBondContact O-N 3.33Å; L122-I127 HydrophobicContact CB-CG2 4.32Å; L122-I127 HydrophobicContact CD1-CD1 4.42Å; L122-I127 HydrophobicContact CD1-CG2 4.21Å; L122-Y180 HydrophobicContact CB-CE1 4.22Å; L122-Y180 HydrophobicContact CD2-CE1 4.14Å; L122-L181 HydrophobicContact CD1-CD2 3.79Å; L122-L181 HydrophobicContact CD2-CD2 4Å; L122-Q185 HydrophobicContact CD2-CB 4.2Å; L122-Q185 HydrophobicContact CD2-CG 3.88Å; L122-I187 HydrophobicContact CD1-CD1 4.46Å; L122-I187 HydrophobicContact CD2-CD1 3.44Å; L122-I187 VanDerWaalsContact CD2-CD1 3.44Å; L122-I187 HydrophobicContact CG-CD1 4.45Å; L122-F210 HydrophobicContact CD1-CD1 3.97Å; L122-F210 HydrophobicContact CD1-CE1 3.37Å; L122-F210 HydrophobicContact CD1-CE2 4.3Å; L122-F210 HydrophobicContact CD1-CZ 3.57Å
123	K	96.2	Very high	95	Very high	184 Å²	184	46.4 Å²	46.4	80%	0.8	21%	0.209	S	C	*	.			trans	-124.6	87.6	176.4	-64.5	-175.1	-179.2	-178.2	0	108.8	Y180	K123-Y180 PolarHBondContact N-OH 2.86Å; K123-Y180 VanDerWaalsContact N-OH 3.14Å
124	H	98.1	Very high	95	Very high	29 Å²	29	43.7 Å²	43.7	13%	0.134	20%	0.199	C	C	.	.			trans	-142.4	142.3	-178.2	-168.1	-98.6	0	0	0	111.8	N126 I127 D176 Y180	H124-N126 PolarHBondContact ND1-N 2.99Å; H124-N126 VanDerWaalsContact ND1-N 3.11Å; H124-N126 PolarHBondContact O-N 2.95Å; H124-I127 HydrophobicContact CB-CB 4.08Å; H124-I127 HydrophobicContact CB-CD1 3.81Å; H124-I127 HydrophobicContact CB-CG1 3.91Å; H124-I127 PolarHBondContact O-N 2.91Å; H124-I127 VanDerWaalsContact O-N 3.14Å; H124-I127 VanDerWaalsContact O-O 3.11Å; H124-D176 IonicContact CE1-OD2 2.81Å; H124-D176 IonicContact NE2-OD2 3.39Å; H124-D176 PolarHBondContact NE2-OD2 3.38Å; H124-Y180 HydrophobicContact CB-CD1 3.73Å; H124-Y180 HydrophobicContact CB-CE1 3.89Å; H124-Y180 HydrophobicContact CB-CG 4.12Å; H124-Y180 AromaticContact CD2-CG 3.68Å; H124-Y180 AromaticContact CG-CG 4Å
125	H	97.1	Very high	95	Very high	92 Å²	92	38.8 Å²	38.8	43%	0.426	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.9	-174.1	64.8	-92.9	0	0	0	114	D176 R204 K206	H125-D176 IonicContact CE1-OD2 2.88Å; H125-D176 PolarHBondContact CE1-OD2 3.39Å; H125-D176 IonicContact NE2-OD2 3.51Å; H125-D176 PolarHBondContact NE2-OD2 3.23Å; H125-R204 PolarHBondContact CD2-NH2 2.83Å; H125-K206 WeakPolarHBondContact O-CE 3.43Å
126	N	98.5	Very high	95	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	21.4	172.3	-63.4	130.2	0	0	0	113.3	H124 Q173 A177 A205 K206 L207	H124-N126 PolarHBondContact ND1-N 2.99Å; H124-N126 VanDerWaalsContact ND1-N 3.11Å; H124-N126 PolarHBondContact O-N 2.95Å; N126-Q173 VanDerWaalsContact CB-O 3.29Å; N126-Q173 WeakPolarHBondContact CB-O 3.34Å; N126-Q173 VanDerWaalsContact CG-O 3.3Å; N126-Q173 WeakPolarHBondContact ND2-CB 3.33Å; N126-Q173 PolarHBondContact OD1-O 2.99Å; N126-Q173 VanDerWaalsContact OD1-O 3.1Å; N126-A177 HydrophobicContact CB-CB 3.89Å; N126-A205 PolarHBondContact ND2-O 2.86Å; N126-K206 CarbonylContact O-C 3.57Å; N126-K206 WeakPolarHBondContact O-CA 3.41Å; N126-L207 PolarHBondContact O-N 3.32Å
127	I	98.6	Very high	94.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-126	136	172.3	-62.3	177.8	0	0	0	108.1	L122 H124 A177 Y180 L181 F210	L122-I127 HydrophobicContact CB-CG2 4.32Å; L122-I127 HydrophobicContact CD1-CD1 4.42Å; L122-I127 HydrophobicContact CD1-CG2 4.21Å; H124-I127 HydrophobicContact CB-CB 4.08Å; H124-I127 HydrophobicContact CB-CD1 3.81Å; H124-I127 HydrophobicContact CB-CG1 3.91Å; H124-I127 PolarHBondContact O-N 2.91Å; H124-I127 VanDerWaalsContact O-N 3.14Å; H124-I127 VanDerWaalsContact O-O 3.11Å; I127-A177 HydrophobicContact CD1-CB 4.38Å; I127-A177 HydrophobicContact CG1-CB 3.88Å; I127-Y180 HydrophobicContact CD1-CD1 3.72Å; I127-Y180 HydrophobicContact CD1-CE1 4.06Å; I127-L181 HydrophobicContact CD1-CD1 4.23Å; I127-L181 HydrophobicContact CD1-CD2 3.79Å; I127-L181 HydrophobicContact CD1-CG 3.83Å; I127-F210 HydrophobicContact CD1-CZ 4.43Å; I127-F210 HydrophobicContact CG2-CE2 3.77Å; I127-F210 HydrophobicContact CG2-CZ 3.6Å
128	A	96.5	Very high	94.7	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-71.2	134.3	177.9	0	0	0	0	0	111.3	Q119 L147 L207 I208	Q119-A128 PolarHBondContact NE2-O 3.21Å; A128-L147 HydrophobicContact CB-CD1 3.95Å; A128-L207 PolarHBondContact N-O 3.32Å; A128-I208 HydrophobicContact CB-CG2 3.54Å
129	T	96.1	Very high	94.7	Very high	56 Å²	56	34.7 Å²	34.7	34%	0.344	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-78.2	129.7	-177.8	-55.3	0	0	0	0	110.7	Y131 M144 E145	T129-Y131 HydrophobicContact CG2-CD1 3.82Å; T129-Y131 HydrophobicContact CG2-CE1 3.66Å; T129-M144 CarbonylContact O-C 3.57Å; T129-M144 WeakPolarHBondContact O-CA 3.3Å; T129-E145 PolarHBondContact N-OE2 2.73Å; T129-E145 PolarHBondContact O-N 3.49Å
130	L	95.2	Very high	94.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.5	164.3	179	73.9	0	0	0	108.8	A116 Q119 R120 M142 F143 M144	A116-L130 HydrophobicContact CB-CD2 3.55Å; A116-L130 WeakPolarHBondContact O-CD2 3.29Å; Q119-L130 HydrophobicContact CB-CB 4.21Å; Q119-L130 HydrophobicContact CB-CD2 4.17Å; Q119-L130 HydrophobicContact CG-CB 3.86Å; R120-L130 HydrophobicContact CB-CD2 4.46Å; L130-M142 HydrophobicContact CD1-CB 3.88Å; L130-M142 HydrophobicContact CD1-CE 3.95Å; L130-M142 HydrophobicContact CD2-CE 4Å; L130-F143 WeakPolarHBondContact CD1-O 3.26Å; L130-M144 HydrophobicContact CD1-CG 3.49Å; L130-M144 VanDerWaalsContact CD1-CG 3.49Å; L130-M144 HydrophobicContact CD1-SD 4.44Å
131	Y	92.9	Very high	94.7	Very high	59 Å²	59	30.5 Å²	30.5	23%	0.231	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-38.5	-179.6	-57.8	-57.9	0	0	0	112.4	A3 L6 L82 T129 F143 M144 E145	A3-Y131 HydrophobicContact CB-CD1 4.21Å; L6-Y131 HydrophobicContact CD1-CG 4.5Å; L82-Y131 HydrophobicContact CD2-CD2 3.87Å; L82-Y131 HydrophobicContact CD2-CE2 3.45Å; L82-Y131 VanDerWaalsContact CD2-CE2 3.45Å; T129-Y131 HydrophobicContact CG2-CD1 3.82Å; T129-Y131 HydrophobicContact CG2-CE1 3.66Å; Y131-F143 WeakPolarHBondContact CA-O 3.36Å; Y131-F143 WeakPolarHBondContact CB-O 3.46Å; Y131-F143 PolarHBondContact N-O 3.22Å; Y131-M144 WeakPolarHBondContact CE2-O 3.44Å; Y131-E145 HydrophobicContact CE2-CB 4.36Å; Y131-E145 VanDerWaalsContact CE2-N 3.3Å
132	G	91	Very high	94.7	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	172.9	179.7	0	0	0	0	0	114.2	F143	G132-F143 PolarHBondContact N-O 3.38Å; G132-F143 PolarHBondContact O-N 3.32Å
133	I	93.5	Very high	94.6	Very high	37 Å²	37	26.8 Å²	26.8	19%	0.19	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.6	177.4	-174.1	170.9	0	0	0	109	L112 A116 T140 F141 M142	L112-I133 HydrophobicContact CB-CD1 4.25Å; A116-I133 HydrophobicContact CB-CB 4.03Å; A116-I133 HydrophobicContact CB-CD1 3.9Å; A116-I133 HydrophobicContact CB-CG2 4.03Å; I133-T140 HydrophobicContact CD1-CG2 3.7Å; I133-T140 HydrophobicContact CG1-CG2 3.8Å; I133-F141 CarbonylContact C-O 3.54Å; I133-F141 VanDerWaalsContact CA-O 3.25Å; I133-F141 WeakPolarHBondContact CA-O 3.43Å; I133-M142 HydrophobicContact CD1-CG 4.19Å; I133-M142 HydrophobicContact CG1-CG 4.14Å
134	R	93.9	Very high	94.5	Very high	25 Å²	25	19.5 Å²	19.5	9%	0.094	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.2	175.9	-63	-175	172.8	179.9	-4.9	109.8	I51 F141 F143	I51-R134 HydrophobicContact CB-CB 4.23Å; I51-R134 HydrophobicContact CD1-CB 4.12Å; I51-R134 WeakPolarHBondContact O-CD 3.22Å; I51-R134 PolarHBondContact O-NH1 3.32Å; R134-F141 PolarHBondContact N-O 2.94Å; R134-F141 PolarHBondContact O-N 3.35Å; R134-F143 HydrophobicContact CB-CE2 4.03Å; R134-F143 HydrophobicContact CG-CD2 4.46Å; R134-F143 HydrophobicContact CG-CE2 3.89Å
135	N	93.6	Very high	94.3	Very high	17 Å²	17	20 Å²	20	9%	0.091	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143.4	-179.9	-65.6	-34.4	0	0	0	110	T140	N135-T140 WeakPolarHBondContact OD1-CG2 3.44Å; N135-T140 PolarHBondContact OD1-OG1 2.67Å
136	T	93.1	Very high	94	Very high	4 Å²	4	17 Å²	17	3%	0.025	9%	0.088	C	C	.	.			trans	-118.6	171.9	165.2	72.9	0	0	0	0	107.7	E47 I51 R109 T138 F139 F141	E47-T136 HydrophobicContact CB-CG2 4.04Å; E47-T136 VanDerWaalsContact O-CG2 3.31Å; E47-T136 WeakPolarHBondContact O-CG2 3.45Å; E47-T136 WeakPolarHBondContact OE2-CB 3.42Å; E47-T136 PolarHBondContact OE2-OG1 3.05Å; I51-T136 HydrophobicContact CD1-CG2 3.56Å; I51-T136 HydrophobicContact CG1-CG2 4.01Å; I51-T136 HydrophobicContact CG2-CG2 4.07Å; R109-T136 PolarHBondContact NH2-O 2.88Å; T136-T138 PolarHBondContact O-N 2.85Å; T136-F139 PolarHBondContact N-O 2.96Å; T136-F139 WeakPolarHBondContact OG1-CB 3.29Å; T136-F139 PolarHBondContact OG1-N 3.49Å; T136-F139 PolarHBondContact OG1-O 3.4Å; T136-F141 HydrophobicContact CG2-CD2 4.04Å; T136-F141 HydrophobicContact CG2-CE2 3.68Å
137	P	90.5	Very high	93.5	Very high	31 Å²	31	17.2 Å²	17.2	20%	0.201	9%	0.089	C	C	.	.	S	Bend	trans	-52.2	-40	178.1	-30	37.5	0	0	0	113.6	R109	R109-P137 PolarHBondContact NH2-O 3.18Å
138	T	91	Very high	92.7	Very high	7 Å²	7	18 Å²	18	4%	0.043	9%	0.094	C	C	.	.	S	Bend	trans	-106	-21	-174.1	-43.1	0	0	0	0	114.1	E47 N88 V89 Y90 R96 T136	E47-T138 WeakPolarHBondContact OE1-CB 3.42Å; E47-T138 PolarHBondContact OE1-OG1 3.29Å; E47-T138 WeakPolarHBondContact OE2-CB 3.43Å; E47-T138 PolarHBondContact OE2-N 3Å; E47-T138 PolarHBondContact OE2-OG1 2.72Å; N88-T138 PolarHBondContact OD1-O 3.33Å; V89-T138 WeakPolarHBondContact CG2-O 3.29Å; V89-T138 PolarHBondContact N-O 3.49Å; V89-T138 VanDerWaalsContact N-O 3.14Å; Y90-T138 HydrophobicContact CD2-CG2 3.97Å; Y90-T138 HydrophobicContact CE2-CG2 4.31Å; R96-T138 PolarHBondContact NH2-OG1 3.04Å; T136-T138 PolarHBondContact O-N 2.85Å
139	F	93.5	Very high	92	Very high	5 Å²	5	18 Å²	18	2%	0.022	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.2	-169.9	-54.2	-79.4	0	0	0	112.9	I40 I44 E47 V86 V87 N88 T136 F141	I40-F139 HydrophobicContact CG2-CE1 4.5Å; I40-F139 HydrophobicContact CG2-CZ 4.47Å; I44-F139 HydrophobicContact CD1-CE1 4.09Å; I44-F139 HydrophobicContact CD1-CZ 4.34Å; I44-F139 HydrophobicContact CG1-CD1 4.05Å; I44-F139 HydrophobicContact CG1-CD2 4.21Å; I44-F139 HydrophobicContact CG1-CE1 3.59Å; I44-F139 HydrophobicContact CG1-CE2 3.78Å; I44-F139 HydrophobicContact CG1-CG 4.35Å; I44-F139 HydrophobicContact CG1-CZ 3.46Å; I44-F139 VanDerWaalsContact CG1-CZ 3.46Å; E47-F139 HydrophobicContact CB-CD2 4.28Å; E47-F139 WeakPolarHBondContact OE2-CD2 3.39Å; V86-F139 HydrophobicContact CG1-CB 3.98Å; V86-F139 HydrophobicContact CG1-CD1 3.99Å; V86-F139 HydrophobicContact CG1-CG 4.13Å; V87-F139 CarbonylContact O-C 3.57Å; V87-F139 WeakPolarHBondContact O-CA 3.34Å; N88-F139 HydrophobicContact CB-CD1 4.02Å; N88-F139 HydrophobicContact CB-CE1 3.92Å; T136-F139 PolarHBondContact N-O 2.96Å; T136-F139 WeakPolarHBondContact OG1-CB 3.29Å; T136-F139 PolarHBondContact OG1-N 3.49Å; T136-F139 PolarHBondContact OG1-O 3.4Å; F139-F141 HydrophobicContact CB-CD2 4.09Å; F139-F141 HydrophobicContact CB-CE2 3.58Å; F139-F141 HydrophobicContact CB-CZ 4.39Å; F139-F141 HydrophobicContact CG-CE2 4.4Å
140	T	94.1	Very high	91.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.6	165.8	-70	0	0	0	0	108.6	V86 V87 L112 I133 N135	V86-T140 WeakPolarHBondContact CA-O 3.46Å; V87-T140 PolarHBondContact N-O 3.15Å; V87-T140 PolarHBondContact O-N 2.86Å; L112-T140 HydrophobicContact CB-CG2 4.24Å; L112-T140 HydrophobicContact CD1-CG2 3.67Å; I133-T140 HydrophobicContact CD1-CG2 3.7Å; I133-T140 HydrophobicContact CG1-CG2 3.8Å; N135-T140 WeakPolarHBondContact OD1-CG2 3.44Å; N135-T140 PolarHBondContact OD1-OG1 2.67Å
141	F	94.7	Very high	91.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.5	-177.8	-71.5	-109.7	0	0	0	109.9	I44 A48 I51 A84 K85 V86 I133 R134 T136 F139 F143	I44-F141 HydrophobicContact CG2-CE1 4.27Å; I44-F141 HydrophobicContact CG2-CZ 4.08Å; A48-F141 HydrophobicContact CB-CE1 3.82Å; A48-F141 HydrophobicContact CB-CZ 3.79Å; I51-F141 HydrophobicContact CD1-CB 3.85Å; I51-F141 HydrophobicContact CD1-CD1 3.96Å; I51-F141 HydrophobicContact CD1-CD2 3.22Å; I51-F141 HydrophobicContact CD1-CE1 4.31Å; I51-F141 HydrophobicContact CD1-CE2 3.59Å; I51-F141 HydrophobicContact CD1-CG 3.42Å; I51-F141 VanDerWaalsContact CD1-CG 3.42Å; I51-F141 HydrophobicContact CD1-CZ 4.14Å; A84-F141 HydrophobicContact CB-CD1 4.42Å; K85-F141 CarbonylContact O-C 3.43Å; K85-F141 WeakPolarHBondContact O-CA 3.47Å; V86-F141 HydrophobicContact CB-CD1 4.45Å; V86-F141 HydrophobicContact CB-CE1 4.37Å; V86-F141 HydrophobicContact CG1-CD1 4.3Å; V86-F141 HydrophobicContact CG1-CD2 4.41Å; V86-F141 HydrophobicContact CG1-CE1 3.93Å; V86-F141 HydrophobicContact CG1-CE2 4.1Å; V86-F141 HydrophobicContact CG1-CZ 3.83Å; V86-F141 HydrophobicContact CG2-CD1 3.5Å; V86-F141 HydrophobicContact CG2-CE1 3.48Å; V86-F141 VanDerWaalsContact CG2-CE1 3.48Å; V86-F141 HydrophobicContact CG2-CG 4.25Å; V86-F141 HydrophobicContact CG2-CZ 4.25Å; I133-F141 CarbonylContact C-O 3.54Å; I133-F141 VanDerWaalsContact CA-O 3.25Å; I133-F141 WeakPolarHBondContact CA-O 3.43Å; R134-F141 PolarHBondContact N-O 2.94Å; R134-F141 PolarHBondContact O-N 3.35Å; T136-F141 HydrophobicContact CG2-CD2 4.04Å; T136-F141 HydrophobicContact CG2-CE2 3.68Å; F139-F141 HydrophobicContact CB-CD2 4.09Å; F139-F141 HydrophobicContact CB-CE2 3.58Å; F139-F141 HydrophobicContact CB-CZ 4.39Å; F139-F141 HydrophobicContact CG-CE2 4.4Å; F141-F143 HydrophobicContact CB-CE2 3.89Å; F141-F143 HydrophobicContact CB-CZ 4.05Å; F141-F143 HydrophobicContact CD1-CZ 4.47Å
142	M	94.3	Very high	91.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.1	171.7	-68.1	175.1	69.4	0	0	109.1	A84 K85 L112 E115 A116 L130 I133	A84-M142 CarbonylContact C-O 3.54Å; A84-M142 VanDerWaalsContact CA-O 3.31Å; A84-M142 WeakPolarHBondContact CA-O 3.2Å; K85-M142 HydrophobicContact CB-CB 4.2Å; K85-M142 HydrophobicContact CD-SD 4.16Å; K85-M142 PolarHBondContact N-O 2.71Å; K85-M142 PolarHBondContact O-N 3.39Å; L112-M142 HydrophobicContact CD2-SD 4.19Å; E115-M142 HydrophobicContact CG-CE 4.01Å; A116-M142 HydrophobicContact CB-CE 4.23Å; L130-M142 HydrophobicContact CD1-CB 3.88Å; L130-M142 HydrophobicContact CD1-CE 3.95Å; L130-M142 HydrophobicContact CD2-CE 4Å; I133-M142 HydrophobicContact CD1-CG 4.19Å; I133-M142 HydrophobicContact CG1-CG 4.14Å
143	F	94.5	Very high	90.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.3	-179	-63.5	-82.8	0	0	0	110.2	L6 I51 L52 A83 A84 L130 Y131 G132 R134 F141	L6-F143 HydrophobicContact CD1-CB 4.05Å; L6-F143 HydrophobicContact CD1-CG 4.45Å; L6-F143 HydrophobicContact CD2-CD2 3.94Å; L6-F143 HydrophobicContact CD2-CE2 4.41Å; L6-F143 HydrophobicContact CD2-CG 4.31Å; I51-F143 HydrophobicContact CD1-CZ 4.36Å; L52-F143 HydrophobicContact CD2-CE1 3.88Å; L52-F143 HydrophobicContact CD2-CZ 4.27Å; A83-F143 CarbonylContact O-C 3.51Å; A84-F143 HydrophobicContact CB-CD1 4.15Å; A84-F143 HydrophobicContact CB-CE1 4.23Å; L130-F143 WeakPolarHBondContact CD1-O 3.26Å; Y131-F143 WeakPolarHBondContact CA-O 3.36Å; Y131-F143 WeakPolarHBondContact CB-O 3.46Å; Y131-F143 PolarHBondContact N-O 3.22Å; G132-F143 PolarHBondContact N-O 3.38Å; G132-F143 PolarHBondContact O-N 3.32Å; R134-F143 HydrophobicContact CB-CE2 4.03Å; R134-F143 HydrophobicContact CG-CD2 4.46Å; R134-F143 HydrophobicContact CG-CE2 3.89Å; F141-F143 HydrophobicContact CB-CE2 3.89Å; F141-F143 HydrophobicContact CB-CZ 4.05Å; F141-F143 HydrophobicContact CD1-CZ 4.47Å
144	M	94	Very high	90.4	Very high	30 Å²	30	14.6 Å²	14.6	15%	0.148	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.7	-168.8	-61	177.6	-58.5	0	0	111.4	A83 K85 T129 L130 Y131 L146	A83-M144 PolarHBondContact N-O 3.17Å; A83-M144 PolarHBondContact O-N 3.34Å; K85-M144 HydrophobicContact CB-CE 3.52Å; K85-M144 HydrophobicContact CB-SD 4.43Å; T129-M144 CarbonylContact O-C 3.57Å; T129-M144 WeakPolarHBondContact O-CA 3.3Å; L130-M144 HydrophobicContact CD1-CG 3.49Å; L130-M144 VanDerWaalsContact CD1-CG 3.49Å; L130-M144 HydrophobicContact CD1-SD 4.44Å; Y131-M144 WeakPolarHBondContact CE2-O 3.44Å; M144-L146 PolarHBondContact O-N 2.84Å
145	E	93	Very high	89.8	Confident	39 Å²	39	16.7 Å²	16.7	18%	0.182	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	129.8	166.6	-176.4	-179.2	180	0	0	111.1	T129 Y131 L147 K206	T129-E145 PolarHBondContact N-OE2 2.73Å; T129-E145 PolarHBondContact O-N 3.49Å; Y131-E145 HydrophobicContact CE2-CB 4.36Å; Y131-E145 VanDerWaalsContact CE2-N 3.3Å; E145-L147 HydrophobicContact CG-CD2 3.97Å; E145-K206 IonicContact OE1-NZ 2.72Å; E145-K206 PolarHBondContact OE1-NZ 3.19Å; E145-K206 IonicContact OE2-NZ 2.87Å; E145-K206 PolarHBondContact OE2-NZ 3Å
146	L	90.8	Very high	89.3	Confident	29 Å²	29	16.6 Å²	16.6	15%	0.152	8%	0.083	C	C	.	.			trans	-78.2	126.1	171	179.7	64.9	0	0	0	110.3	L62 L72 C81 A83 M144 P148 M404	L62-L146 HydrophobicContact CD1-CD1 3.68Å; L72-L146 HydrophobicContact CD1-CD1 4.18Å; L72-L146 HydrophobicContact CD1-CD2 3.58Å; C81-L146 HydrophobicContact CB-CD2 3.46Å; C81-L146 VanDerWaalsContact CB-CD2 3.46Å; A83-L146 HydrophobicContact CB-CD1 4.24Å; M144-L146 PolarHBondContact O-N 2.84Å; L146-P148 WeakPolarHBondContact O-CD 3.38Å; L146-M404 HydrophobicContact CD2-CE 3.98Å
147	L	89.8	Confident	88.6	Confident	6 Å²	6	18.1 Å²	18.1	3%	0.031	9%	0.093	C	C	.	.			trans	-113.2	90.4	178.1	-61.1	177.8	0	0	0	109.8	A128 E145 G149 M198 L199 T200 K206 I208	A128-L147 HydrophobicContact CB-CD1 3.95Å; E145-L147 HydrophobicContact CG-CD2 3.97Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.05Å; L147-M198 HydrophobicContact CB-CB 3.93Å; L147-M198 HydrophobicContact CB-CE 3.87Å; L147-M198 HydrophobicContact CB-SD 4.08Å; L147-M198 HydrophobicContact CD1-CB 3.44Å; L147-M198 VanDerWaalsContact CD1-CB 3.44Å; L147-M198 HydrophobicContact CD1-CG 4.35Å; L147-M198 HydrophobicContact CD1-SD 4.17Å; L147-M198 HydrophobicContact CG-CB 4.33Å; L147-M198 VanDerWaalsContact O-CE 3.25Å; L147-M198 WeakPolarHBondContact O-CE 3.37Å; L147-L199 CarbonylContact C-O 3.56Å; L147-T200 HydrophobicContact CD2-CG2 3.9Å; L147-K206 HydrophobicContact CD1-CB 4.05Å; L147-K206 HydrophobicContact CD1-CD 4.48Å; L147-K206 HydrophobicContact CD2-CD 3.81Å; L147-I208 HydrophobicContact CD1-CG2 3.76Å
148	P	81.4	Confident	87.9	Confident	19 Å²	19	19.5 Å²	19.5	12%	0.123	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.6	-169.8	27.5	-35.7	0	0	0	113.3	L146 G150 K201 Q397 M404	L146-P148 WeakPolarHBondContact O-CD 3.38Å; P148-G150 PolarHBondContact O-N 3.36Å; P148-K201 HydrophobicContact CG-CB 3.87Å; P148-Q397 VanDerWaalsContact O-CD 3.29Å; P148-Q397 PolarHBondContact O-NE2 3.23Å; P148-Q397 PolarHBondContact O-OE1 3.34Å; P148-M404 HydrophobicContact CB-CE 3.93Å; P148-M404 HydrophobicContact CB-SD 3.74Å
149	G	81.9	Confident	87.1	Confident	5 Å²	5	20.2 Å²	20.2	5%	0.052	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.3	-177.2	0	0	0	0	0	115	L147 R155 L199	L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 3.05Å; G149-R155 PolarHBondContact O-NH2 3.48Å; G149-L199 WeakPolarHBondContact CA-O 3.39Å; G149-L199 PolarHBondContact N-O 2.92Å
150	G	85.7	Confident	86.5	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.021	14%	0.138	C	C	.	.			trans	82.1	-178	176.2	0	0	0	0	0	114	P148 M198 L199 M427	P148-G150 PolarHBondContact O-N 3.36Å; G150-M198 CarbonylContact O-C 3.58Å; G150-M198 VanDerWaalsContact O-CA 3.31Å; G150-M198 WeakPolarHBondContact O-CA 3.36Å; G150-L199 PolarHBondContact O-N 2.78Å; G150-M427 VanDerWaalsContact CA-CE 3.42Å
151	E	88.4	Confident	86.1	Confident	38 Å²	38	26.6 Å²	26.6	18%	0.178	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-71.4	142.5	174.5	-62.6	175.1	-165.3	0	0	110	F153 E154 M198	E151-F153 HydrophobicContact CB-CB 4.31Å; E151-F153 PolarHBondContact O-N 2.66Å; E151-E154 HydrophobicContact CB-CG 4.33Å; E151-E154 PolarHBondContact O-N 2.79Å; E151-E154 VanDerWaalsContact O-N 3.16Å; E151-M198 HydrophobicContact CG-CG 4.38Å
152	L	90.5	Very high	85.7	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-59.4	-32.4	170.8	175.6	62.4	0	0	0	110.5	E154 R155 L162 M167 Y170 P194 I197	L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.27Å; L152-R155 HydrophobicContact CD1-CB 4.45Å; L152-R155 WeakPolarHBondContact O-CB 3.3Å; L152-R155 PolarHBondContact O-N 3.35Å; L152-L162 HydrophobicContact CD1-CD1 3.8Å; L152-M167 HydrophobicContact CD2-CE 4.09Å; L152-M167 HydrophobicContact CD2-SD 4.17Å; L152-Y170 HydrophobicContact CD1-CD2 3.42Å; L152-Y170 VanDerWaalsContact CD1-CD2 3.42Å; L152-Y170 HydrophobicContact CD1-CE2 3.5Å; L152-Y170 HydrophobicContact CD1-CG 4.31Å; L152-Y170 HydrophobicContact CD2-CD2 4.38Å; L152-P194 PolarHBondContact N-O 3.19Å; L152-I197 HydrophobicContact CB-CB 4.05Å; L152-I197 HydrophobicContact CB-CG2 3.95Å; L152-I197 WeakPolarHBondContact CB-O 3.39Å; L152-I197 HydrophobicContact CD2-CB 4.19Å; L152-I197 HydrophobicContact CD2-CD1 4.14Å; L152-I197 HydrophobicContact CD2-CG2 3.92Å; L152-I197 PolarHBondContact N-O 3.02Å
153	F	87	Confident	85.5	Confident	12 Å²	12	33.9 Å²	33.9	5%	0.053	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-54.2	-43.6	174.6	-171.3	-106.1	0	0	0	113.2	E151 R155 I156 P194 E195 H507	E151-F153 HydrophobicContact CB-CB 4.31Å; E151-F153 PolarHBondContact O-N 2.66Å; F153-R155 PolarHBondContact O-N 3.42Å; F153-I156 PolarHBondContact O-N 3.1Å; F153-P194 HydrophobicContact CB-CB 3.87Å; F153-P194 HydrophobicContact CD2-CB 4.01Å; F153-P194 HydrophobicContact CG-CB 4.46Å; F153-P194 PolarHBondContact N-O 2.79Å; F153-E195 HydrophobicContact CB-CG 3.87Å; F153-E195 HydrophobicContact CD1-CG 4.24Å; F153-E195 HydrophobicContact CD2-CG 4.2Å; F153-E195 HydrophobicContact CG-CG 3.83Å; F153-H507 AromaticContact CD1-CE1 3.73Å; F153-H507 AromaticContact CE1-CE1 3.29Å; F153-H507 WeakPolarHBondContact CE1-CE1 3.09Å; F153-H507 AromaticContact CE1-ND1 3.18Å; F153-H507 WeakPolarHBondContact CE1-ND1 3.37Å; F153-H507 AromaticContact CZ-ND1 3.63Å
154	E	82.9	Confident	85.4	Confident	36 Å²	36	35.4 Å²	35.4	17%	0.168	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-69.3	-11.7	178.6	-65.2	-175.1	156.2	0	0	113.1	E151 L152 R429	E151-E154 HydrophobicContact CB-CG 4.33Å; E151-E154 PolarHBondContact O-N 2.79Å; E151-E154 VanDerWaalsContact O-N 3.16Å; L152-E154 VanDerWaalsContact C-N 3.3Å; L152-E154 PolarHBondContact O-N 3.27Å; E154-R429 IonicContact OE1-CZ 3.8Å; E154-R429 IonicContact OE1-NE 3.47Å; E154-R429 PolarHBondContact OE1-NE 3.44Å; E154-R429 VanDerWaalsContact OE1-NE 3.12Å; E154-R429 IonicContact OE2-NE 3.39Å; E154-R429 PolarHBondContact OE2-NE 2.82Å
155	R	81.5	Confident	85.2	Confident	69 Å²	69	36.1 Å²	36.1	26%	0.26	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-90.3	-13.8	176.5	-62.3	-67.3	-169	85	9.8	113.5	G149 L152 F153 P157 L162 L199 D203	G149-R155 PolarHBondContact O-NH2 3.48Å; L152-R155 HydrophobicContact CD1-CB 4.45Å; L152-R155 WeakPolarHBondContact O-CB 3.3Å; L152-R155 PolarHBondContact O-N 3.35Å; F153-R155 PolarHBondContact O-N 3.42Å; R155-P157 VanDerWaalsContact O-CD 3.26Å; R155-P157 WeakPolarHBondContact O-CD 3.35Å; R155-L162 HydrophobicContact CB-CD2 4.43Å; R155-L162 WeakPolarHBondContact O-CD2 3.42Å; R155-L199 HydrophobicContact CG-CD1 3.77Å; R155-L199 VanDerWaalsContact CZ-CD1 3.44Å; R155-D203 IonicContact CZ-OD1 3.6Å; R155-D203 IonicContact NH1-OD1 3.8Å; R155-D203 PolarHBondContact NH1-OD1 2.96Å; R155-D203 IonicContact NH2-OD1 3.98Å; R155-D203 PolarHBondContact NH2-OD1 3.07Å
156	I	83	Confident	85.1	Confident	14 Å²	14	37.1 Å²	37.1	7%	0.072	19%	0.193	C	C	.	.	S	Bend	trans	-88.7	110.9	-173.4	-62.7	161.4	0	0	0	109.2	F153 I158 L162 P194 A259	F153-I156 PolarHBondContact O-N 3.1Å; I156-I158 PolarHBondContact O-N 3.44Å; I156-L162 HydrophobicContact CG1-CD1 3.91Å; I156-L162 HydrophobicContact CG1-CG 4.06Å; I156-P194 HydrophobicContact CD1-CB 3.83Å; I156-P194 HydrophobicContact CD1-CG 3.99Å; I156-A259 HydrophobicContact CD1-CB 3.69Å; I156-A259 HydrophobicContact CG1-CB 4.07Å
157	P	78	Confident	85.3	Confident	37 Å²	37	35.8 Å²	35.8	24%	0.24	19%	0.186	C	C	.	.			trans	-69.8	128.3	175.6	-12.2	28.7	0	0	0	109.8	R155 G159 I160 G161	R155-P157 VanDerWaalsContact O-CD 3.26Å; R155-P157 WeakPolarHBondContact O-CD 3.35Å; P157-G159 PolarHBondContact O-N 2.84Å; P157-I160 HydrophobicContact CB-CB 4.25Å; P157-I160 PolarHBondContact O-N 2.83Å; P157-G161 WeakPolarHBondContact CD-O 3.45Å; P157-G161 PolarHBondContact O-N 3Å
158	I	75.2	Confident	85.6	Confident	60 Å²	60	35.6 Å²	35.6	31%	0.308	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	134.6	-177.3	-54.9	169.1	0	0	0	111	I156 I160 L504 H507 Q508	I156-I158 PolarHBondContact O-N 3.44Å; I158-I160 PolarHBondContact O-N 3.32Å; I158-L504 HydrophobicContact CB-CD1 4.31Å; I158-L504 HydrophobicContact CD1-CD1 4.39Å; I158-L504 HydrophobicContact CG1-CD1 3.87Å; I158-L504 HydrophobicContact CG2-CD1 3.73Å; I158-H507 VanDerWaalsContact CD1-C 3.47Å; I158-H507 HydrophobicContact CD1-CB 3.23Å; I158-H507 HydrophobicContact CG1-CB 3.89Å; I158-Q508 HydrophobicContact CD1-CG 4.14Å; I158-Q508 HydrophobicContact CG2-CG 4.34Å
159	G	75.6	Confident	86.3	Confident	22 Å²	22	36.2 Å²	36.2	23%	0.227	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-7.5	174.2	0	0	0	0	0	115.3	P157 T261 G262 R294	P157-G159 PolarHBondContact O-N 2.84Å; G159-T261 CarbonylContact C-O 3.55Å; G159-G262 PolarHBondContact N-O 2.95Å; G159-R294 PolarHBondContact O-NH1 3.41Å
160	I	80.8	Confident	87	Confident	132 Å²	132	36.2 Å²	36.2	68%	0.677	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-49.1	178.1	-57.3	171.9	0	0	0	109.8	P157 I158 T261	P157-I160 HydrophobicContact CB-CB 4.25Å; P157-I160 PolarHBondContact O-N 2.83Å; I158-I160 PolarHBondContact O-N 3.32Å; I160-T261 CarbonylContact C-O 3.4Å; I160-T261 PolarHBondContact N-O 3Å
161	G	84.8	Confident	87.6	Confident	8 Å²	8	36.1 Å²	36.1	8%	0.082	19%	0.185	C	C	.	.			trans	80.4	177.2	-175.9	0	0	0	0	0	114.6	P157 A259	P157-G161 WeakPolarHBondContact CD-O 3.45Å; P157-G161 PolarHBondContact O-N 3Å; G161-A259 CarbonylContact C-O 3.54Å; G161-A259 VanDerWaalsContact CA-O 3.24Å; G161-A259 WeakPolarHBondContact CA-O 3.28Å
162	L	87.6	Confident	88	Confident	27 Å²	27	34.7 Å²	34.7	14%	0.141	18%	0.179	C	C	.	.			trans	-83	149.1	175.4	-71.5	176.5	0	0	0	111	L152 R155 I156 V164 M167 Y170 A259	L152-L162 HydrophobicContact CD1-CD1 3.8Å; R155-L162 HydrophobicContact CB-CD2 4.43Å; R155-L162 WeakPolarHBondContact O-CD2 3.42Å; I156-L162 HydrophobicContact CG1-CD1 3.91Å; I156-L162 HydrophobicContact CG1-CG 4.06Å; L162-V164 PolarHBondContact O-N 3.33Å; L162-M167 HydrophobicContact CB-CB 4.39Å; L162-M167 HydrophobicContact CD1-SD 4.19Å; L162-Y170 HydrophobicContact CD1-CE2 4.28Å; L162-A259 HydrophobicContact CD1-CB 4.45Å; L162-A259 PolarHBondContact N-O 3.5Å
163	H	89.5	Confident	88.4	Confident	126 Å²	126	35.4 Å²	35.4	58%	0.583	18%	0.183	S	C	*	.			trans	-57.6	132.2	169.6	-172	-96.8	0	0	0	110.7	Q165 Q166 M167	H163-Q165 WeakPolarHBondContact ND1-CB 3.45Å; H163-Q165 PolarHBondContact ND1-N 3.15Å; H163-Q165 PolarHBondContact O-N 3.38Å; H163-Q165 VanDerWaalsContact O-N 3.15Å; H163-Q166 PolarHBondContact O-N 3.39Å; H163-M167 PolarHBondContact O-N 3.27Å
164	V	91.3	Very high	89	Confident	33 Å²	33	34.9 Å²	34.9	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-39.2	-172.6	174.3	0	0	0	0	112.2	L162 Q166 M167 F168 V260 P296 L299	L162-V164 PolarHBondContact O-N 3.33Å; V164-Q166 PolarHBondContact O-N 3.34Å; V164-M167 PolarHBondContact O-N 3.25Å; V164-F168 WeakPolarHBondContact O-CB 3.26Å; V164-F168 PolarHBondContact O-N 3.32Å; V164-V260 HydrophobicContact CG2-CB 4.41Å; V164-V260 HydrophobicContact CG2-CG1 4.21Å; V164-P296 HydrophobicContact CG2-CG 4.16Å; V164-L299 HydrophobicContact CG1-CD2 4.05Å; V164-L299 HydrophobicContact CG2-CD2 4.06Å
165	Q	90.7	Very high	89.7	Confident	44 Å²	44	33.2 Å²	33.2	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-38.7	178.6	-171.1	62.5	26.5	0	0	112.3	H163 F168 I169	H163-Q165 WeakPolarHBondContact ND1-CB 3.45Å; H163-Q165 PolarHBondContact ND1-N 3.15Å; H163-Q165 PolarHBondContact O-N 3.38Å; H163-Q165 VanDerWaalsContact O-N 3.15Å; Q165-F168 WeakPolarHBondContact O-CB 3.22Å; Q165-F168 PolarHBondContact O-N 2.92Å; Q165-I169 WeakPolarHBondContact O-CG1 3.47Å; Q165-I169 PolarHBondContact O-N 2.88Å
166	Q	91.3	Very high	90.5	Very high	60 Å²	60	32.2 Å²	32.2	28%	0.28	17%	0.173	S	C	.	.	H	α-helix	trans	-69.7	-43.5	176.6	-173.7	64.2	26.9	0	0	110.1	H163 V164 F168 I169 Y170 D203	H163-Q166 PolarHBondContact O-N 3.39Å; V164-Q166 PolarHBondContact O-N 3.34Å; Q166-F168 VanDerWaalsContact C-N 3.26Å; Q166-F168 PolarHBondContact O-N 3.08Å; Q166-I169 VanDerWaalsContact O-CB 3.29Å; Q166-I169 WeakPolarHBondContact O-CB 3.37Å; Q166-I169 PolarHBondContact O-N 2.81Å; Q166-Y170 HydrophobicContact CG-CE2 3.92Å; Q166-Y170 VanDerWaalsContact NE2-CZ 3.26Å; Q166-Y170 PolarHBondContact NE2-OH 3.07Å; Q166-Y170 PolarHBondContact O-N 3.43Å; Q166-D203 PolarHBondContact NE2-OD2 2.83Å
167	M	94.1	Very high	91.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-34	177.9	-172.2	55.7	-142.4	0	0	112.1	L152 L162 H163 V164 I169 Y170 Y171 T255 L256 A259 V260	L152-M167 HydrophobicContact CD2-CE 4.09Å; L152-M167 HydrophobicContact CD2-SD 4.17Å; L162-M167 HydrophobicContact CB-CB 4.39Å; L162-M167 HydrophobicContact CD1-SD 4.19Å; H163-M167 PolarHBondContact O-N 3.27Å; V164-M167 PolarHBondContact O-N 3.25Å; M167-I169 PolarHBondContact O-N 3.25Å; M167-Y170 PolarHBondContact O-N 3.47Å; M167-Y170 HydrophobicContact SD-CD2 4.11Å; M167-Y171 VanDerWaalsContact O-CB 3.3Å; M167-Y171 WeakPolarHBondContact O-CB 3.38Å; M167-Y171 PolarHBondContact O-N 2.9Å; M167-T255 HydrophobicContact CE-CG2 4.46Å; M167-L256 HydrophobicContact CB-CD1 4.4Å; M167-L256 HydrophobicContact CG-CD1 3.54Å; M167-A259 HydrophobicContact CE-CB 4.21Å; M167-A259 HydrophobicContact CG-CB 3.88Å; M167-A259 HydrophobicContact SD-CB 3.39Å; M167-A259 WeakPolarHBondContact SD-CB 3.32Å; M167-V260 HydrophobicContact CB-CG1 3.81Å; M167-V260 HydrophobicContact CG-CG1 3.87Å
168	F	96	Very high	92.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-37.5	172.7	176.4	-95.8	0	0	0	112.3	V164 Q165 Q166 Y171 A172 W325 Y326 G329 L330 R333	V164-F168 WeakPolarHBondContact O-CB 3.26Å; V164-F168 PolarHBondContact O-N 3.32Å; Q165-F168 WeakPolarHBondContact O-CB 3.22Å; Q165-F168 PolarHBondContact O-N 2.92Å; Q166-F168 VanDerWaalsContact C-N 3.26Å; Q166-F168 PolarHBondContact O-N 3.08Å; F168-Y171 PolarHBondContact O-N 3.25Å; F168-A172 HydrophobicContact CZ-CB 4.4Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 3.2Å; F168-W325 AromaticContact CD2-CH2 3.79Å; F168-W325 HydrophobicContact CD2-CH2 3.79Å; F168-W325 AromaticContact CD2-CZ2 3.89Å; F168-W325 HydrophobicContact CD2-CZ2 3.89Å; F168-W325 HydrophobicContact CD2-CZ3 4.24Å; F168-W325 HydrophobicContact CE2-CH2 4.45Å; F168-W325 HydrophobicContact CE2-CZ3 4.47Å; F168-Y326 AromaticContact CE2-CD2 3.69Å; F168-Y326 HydrophobicContact CE2-CD2 3.69Å; F168-Y326 HydrophobicContact CE2-CE2 4.02Å; F168-Y326 HydrophobicContact CE2-CG 4.1Å; F168-Y326 HydrophobicContact CZ-CD2 4.26Å; F168-Y326 HydrophobicContact CZ-CE2 4.29Å; F168-Y326 HydrophobicContact CZ-CG 4.47Å; F168-Y326 WeakPolarHBondContact CZ-O 3.31Å; F168-G329 VanDerWaalsContact CE1-O 3.27Å; F168-G329 WeakPolarHBondContact CE1-O 3.45Å; F168-L330 HydrophobicContact CE1-CD2 4.13Å; F168-L330 HydrophobicContact CE1-CG 4.41Å; F168-L330 VanDerWaalsContact CE1-N 3.3Å; F168-L330 HydrophobicContact CZ-CB 4.46Å; F168-L330 HydrophobicContact CZ-CD2 3.97Å; F168-L330 HydrophobicContact CZ-CG 3.92Å; F168-R333 HydrophobicContact CD1-CG 3.93Å; F168-R333 VanDerWaalsContact CE1-CD 3.46Å; F168-R333 HydrophobicContact CE1-CG 3.9Å
169	I	95.6	Very high	93.4	Very high	33 Å²	33	28.5 Å²	28.5	17%	0.169	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-50.4	177.5	-65.3	-177.7	0	0	0	111.2	Q165 Q166 M167 Q173 R333	Q165-I169 WeakPolarHBondContact O-CG1 3.47Å; Q165-I169 PolarHBondContact O-N 2.88Å; Q166-I169 VanDerWaalsContact O-CB 3.29Å; Q166-I169 WeakPolarHBondContact O-CB 3.37Å; Q166-I169 PolarHBondContact O-N 2.81Å; M167-I169 PolarHBondContact O-N 3.25Å; I169-Q173 WeakPolarHBondContact O-CG 3.5Å; I169-Q173 PolarHBondContact O-N 2.84Å; I169-R333 HydrophobicContact CG1-CG 4.29Å; I169-R333 PolarHBondContact O-NH1 3.04Å
170	Y	97	Very high	94.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-68.7	-42.3	179.2	-54.4	-39.6	0	0	0	111.4	L152 L162 Q166 M167 A172 Q173 I174 L199 D203 A205	L152-Y170 HydrophobicContact CD1-CD2 3.42Å; L152-Y170 VanDerWaalsContact CD1-CD2 3.42Å; L152-Y170 HydrophobicContact CD1-CE2 3.5Å; L152-Y170 HydrophobicContact CD1-CG 4.31Å; L152-Y170 HydrophobicContact CD2-CD2 4.38Å; L162-Y170 HydrophobicContact CD1-CE2 4.28Å; Q166-Y170 HydrophobicContact CG-CE2 3.92Å; Q166-Y170 VanDerWaalsContact NE2-CZ 3.26Å; Q166-Y170 PolarHBondContact NE2-OH 3.07Å; Q166-Y170 PolarHBondContact O-N 3.43Å; M167-Y170 PolarHBondContact O-N 3.47Å; M167-Y170 HydrophobicContact SD-CD2 4.11Å; Y170-A172 VanDerWaalsContact C-N 3.35Å; Y170-A172 PolarHBondContact O-N 2.78Å; Y170-Q173 WeakPolarHBondContact O-CB 3.35Å; Y170-Q173 PolarHBondContact O-N 3.34Å; Y170-Q173 VanDerWaalsContact O-N 3.15Å; Y170-I174 WeakPolarHBondContact O-CG1 3.48Å; Y170-I174 PolarHBondContact O-N 3.39Å; Y170-L199 HydrophobicContact CD1-CD2 3.88Å; Y170-L199 HydrophobicContact CE1-CD1 4.45Å; Y170-L199 HydrophobicContact CE1-CD2 3.57Å; Y170-D203 PolarHBondContact OH-OD1 3Å; Y170-D203 PolarHBondContact OH-OD2 3.35Å; Y170-A205 HydrophobicContact CD1-CB 3.97Å; Y170-A205 HydrophobicContact CG-CB 4.38Å
171	Y	98.2	Very high	95.3	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-55.5	-49.3	177.7	-176.3	-86	0	0	0	111.5	M167 F168 Q173 I174 L175 L252 L256 F302 I320 W325 Y326	M167-Y171 VanDerWaalsContact O-CB 3.3Å; M167-Y171 WeakPolarHBondContact O-CB 3.38Å; M167-Y171 PolarHBondContact O-N 2.9Å; F168-Y171 PolarHBondContact O-N 3.25Å; Y171-Q173 VanDerWaalsContact C-N 3.3Å; Y171-Q173 PolarHBondContact O-N 3.35Å; Y171-I174 PolarHBondContact O-N 3.26Å; Y171-L175 HydrophobicContact CE1-CB 4.46Å; Y171-L175 HydrophobicContact CE1-CD2 4.32Å; Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.42Å; Y171-L175 PolarHBondContact O-N 2.69Å; Y171-L252 HydrophobicContact CD2-CD1 3.98Å; Y171-L252 HydrophobicContact CD2-CD2 4.34Å; Y171-L252 HydrophobicContact CD2-CG 3.95Å; Y171-L252 HydrophobicContact CE2-CD1 4.07Å; Y171-L252 HydrophobicContact CE2-CD2 3.88Å; Y171-L252 HydrophobicContact CE2-CG 3.51Å; Y171-L256 HydrophobicContact CD2-CB 3.82Å; Y171-L256 HydrophobicContact CD2-CD1 4.21Å; Y171-L256 HydrophobicContact CD2-CD2 3.82Å; Y171-L256 HydrophobicContact CD2-CG 4.17Å; Y171-L256 HydrophobicContact CE2-CB 4Å; Y171-L256 HydrophobicContact CE2-CD2 3.79Å; Y171-L256 HydrophobicContact CE2-CG 4.45Å; Y171-L256 HydrophobicContact CG-CD2 4.49Å; Y171-F302 HydrophobicContact CE1-CE1 4.49Å; Y171-F302 HydrophobicContact CE1-CZ 4.17Å; Y171-F302 HydrophobicContact CE2-CE1 4.43Å; Y171-F302 AromaticContact CZ-CE1 4Å; Y171-F302 AromaticContact CZ-CZ 3.83Å; Y171-F302 WeakPolarHBondContact OH-CZ 3.28Å; Y171-I320 HydrophobicContact CE1-CG2 4.1Å; Y171-W325 HydrophobicContact CD1-CH2 4.06Å; Y171-W325 HydrophobicContact CD1-CZ3 4.03Å; Y171-W325 HydrophobicContact CE1-CH2 4.43Å; Y171-W325 HydrophobicContact CE1-CZ3 4.01Å; Y171-W325 HydrophobicContact CG-CH2 4.21Å; Y171-Y326 HydrophobicContact CD1-CD2 4.31Å; Y171-Y326 HydrophobicContact CD1-CE2 4.09Å; Y171-Y326 HydrophobicContact CE1-CD2 4.2Å; Y171-Y326 HydrophobicContact CE1-CE2 4.18Å
172	A	98.2	Very high	96	Very high	8 Å²	8	22.4 Å²	22.4	7%	0.066	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-37	179.2	0	0	0	0	0	112.6	F168 Y170 D176 Y326	F168-A172 HydrophobicContact CZ-CB 4.4Å; F168-A172 WeakPolarHBondContact O-CB 3.48Å; F168-A172 PolarHBondContact O-N 3.2Å; Y170-A172 VanDerWaalsContact C-N 3.35Å; Y170-A172 PolarHBondContact O-N 2.78Å; A172-D176 PolarHBondContact O-N 3.11Å; A172-Y326 HydrophobicContact CB-CE2 4.06Å; A172-Y326 WeakPolarHBondContact CB-OH 3.46Å
173	Q	98.4	Very high	96.5	Very high	15 Å²	15	25.6 Å²	25.6	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-69	-42.1	177.4	-76.9	171.8	-2.8	0	0	112.3	N126 I169 Y170 Y171 D176 A177 A205	N126-Q173 VanDerWaalsContact CB-O 3.29Å; N126-Q173 WeakPolarHBondContact CB-O 3.34Å; N126-Q173 VanDerWaalsContact CG-O 3.3Å; N126-Q173 WeakPolarHBondContact ND2-CB 3.33Å; N126-Q173 PolarHBondContact OD1-O 2.99Å; N126-Q173 VanDerWaalsContact OD1-O 3.1Å; I169-Q173 WeakPolarHBondContact O-CG 3.5Å; I169-Q173 PolarHBondContact O-N 2.84Å; Y170-Q173 WeakPolarHBondContact O-CB 3.35Å; Y170-Q173 PolarHBondContact O-N 3.34Å; Y170-Q173 VanDerWaalsContact O-N 3.15Å; Y171-Q173 VanDerWaalsContact C-N 3.3Å; Y171-Q173 PolarHBondContact O-N 3.35Å; Q173-D176 PolarHBondContact O-N 2.99Å; Q173-A177 PolarHBondContact O-N 3.2Å; Q173-A177 VanDerWaalsContact O-N 3.08Å; Q173-A205 HydrophobicContact CB-CB 4.23Å
174	I	98.8	Very high	96.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-73.3	-34.4	177.1	-60	-54.6	0	0	0	111.2	Y170 Y171 D176 A177 L178 V192 I197 A205 L207 L252	Y170-I174 WeakPolarHBondContact O-CG1 3.48Å; Y170-I174 PolarHBondContact O-N 3.39Å; Y171-I174 PolarHBondContact O-N 3.26Å; I174-D176 VanDerWaalsContact C-N 3.26Å; I174-D176 PolarHBondContact O-N 2.86Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.81Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 2.89Å; I174-V192 HydrophobicContact CG2-CG1 4.3Å; I174-I197 HydrophobicContact CD1-CG1 4.05Å; I174-I197 HydrophobicContact CD1-CG2 3.91Å; I174-I197 HydrophobicContact CG1-CD1 3.95Å; I174-I197 HydrophobicContact CG1-CG1 4.02Å; I174-I197 HydrophobicContact CG1-CG2 4.03Å; I174-I197 HydrophobicContact CG2-CD1 4.38Å; I174-A205 HydrophobicContact CD1-CB 3.94Å; I174-A205 HydrophobicContact CG1-CB 4.16Å; I174-L207 HydrophobicContact CD1-CB 4.29Å; I174-L207 HydrophobicContact CG2-CD1 4.48Å; I174-L252 HydrophobicContact CB-CD1 4.11Å; I174-L252 HydrophobicContact CG2-CD1 3.75Å; I174-L252 HydrophobicContact CG2-CD2 4.45Å
175	L	98.7	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-38.6	170.7	-174.5	71.3	0	0	0	111.5	Y171 L178 N179 L249 L252 I317 I320 K321 Y326	Y171-L175 HydrophobicContact CE1-CB 4.46Å; Y171-L175 HydrophobicContact CE1-CD2 4.32Å; Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.42Å; Y171-L175 PolarHBondContact O-N 2.69Å; L175-L178 PolarHBondContact O-N 2.92Å; L175-N179 WeakPolarHBondContact O-CB 3.33Å; L175-N179 PolarHBondContact O-N 2.71Å; L175-L249 HydrophobicContact CD1-CD2 4Å; L175-L252 HydrophobicContact CB-CD2 4.17Å; L175-L252 HydrophobicContact CD1-CD2 4.12Å; L175-I317 HydrophobicContact CD1-CG1 4.21Å; L175-I317 HydrophobicContact CD1-CG2 4.34Å; L175-I317 HydrophobicContact CG-CG2 4.4Å; L175-I320 HydrophobicContact CD1-CD1 3.84Å; L175-I320 HydrophobicContact CD1-CG2 4.32Å; L175-I320 HydrophobicContact CD2-CB 4.22Å; L175-I320 HydrophobicContact CD2-CG2 3.48Å; L175-I320 VanDerWaalsContact CD2-CG2 3.48Å; L175-K321 HydrophobicContact CD2-CG 4.38Å; L175-Y326 HydrophobicContact CD2-CD2 4.32Å; L175-Y326 HydrophobicContact CD2-CE2 3.55Å
176	D	98.6	Very high	97.5	Very high	49 Å²	49	26.3 Å²	26.3	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-67.9	-40.7	176.3	-158.7	47.9	0	0	0	112.1	H124 H125 A172 Q173 I174 L178 N179 Y180	H124-D176 IonicContact CE1-OD2 2.81Å; H124-D176 IonicContact NE2-OD2 3.39Å; H124-D176 PolarHBondContact NE2-OD2 3.38Å; H125-D176 IonicContact CE1-OD2 2.88Å; H125-D176 PolarHBondContact CE1-OD2 3.39Å; H125-D176 IonicContact NE2-OD2 3.51Å; H125-D176 PolarHBondContact NE2-OD2 3.23Å; A172-D176 PolarHBondContact O-N 3.11Å; Q173-D176 PolarHBondContact O-N 2.99Å; I174-D176 VanDerWaalsContact C-N 3.26Å; I174-D176 PolarHBondContact O-N 2.86Å; D176-L178 PolarHBondContact O-N 3.08Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 3.49Å; D176-Y180 PolarHBondContact O-N 2.77Å
177	A	98.8	Very high	97.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-45.8	170.5	0	0	0	0	0	112.3	N126 I127 Q173 I174 N179 Y180 L181	N126-A177 HydrophobicContact CB-CB 3.89Å; I127-A177 HydrophobicContact CD1-CB 4.38Å; I127-A177 HydrophobicContact CG1-CB 3.88Å; Q173-A177 PolarHBondContact O-N 3.2Å; Q173-A177 VanDerWaalsContact O-N 3.08Å; I174-A177 WeakPolarHBondContact O-CB 3.39Å; I174-A177 PolarHBondContact O-N 2.81Å; A177-N179 VanDerWaalsContact C-N 3.34Å; A177-Y180 PolarHBondContact O-N 3.19Å; A177-L181 WeakPolarHBondContact O-CG 3.41Å; A177-L181 PolarHBondContact O-N 3.17Å
178	L	98.8	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-38	176.9	-69.8	-177.9	0	0	0	112	I174 L175 D176 Y180 L181 H182 H189 V192 L207 D248 L249 L252	I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 2.89Å; L175-L178 PolarHBondContact O-N 2.92Å; D176-L178 PolarHBondContact O-N 3.08Å; L178-Y180 PolarHBondContact O-N 3.48Å; L178-L181 HydrophobicContact CD2-CD1 4.3Å; L178-L181 PolarHBondContact O-N 3.32Å; L178-H182 VanDerWaalsContact O-CB 3.29Å; L178-H182 WeakPolarHBondContact O-CB 3.33Å; L178-H182 PolarHBondContact O-CD2 2.72Å; L178-H182 PolarHBondContact O-N 2.98Å; L178-H189 HydrophobicContact CD2-CB 4.4Å; L178-V192 HydrophobicContact CD1-CG2 4.49Å; L178-V192 HydrophobicContact CD2-CG2 3.99Å; L178-L207 HydrophobicContact CD2-CD2 4.35Å; L178-D248 HydrophobicContact CD1-CB 4.23Å; L178-D248 HydrophobicContact CD2-CB 4.13Å; L178-L249 HydrophobicContact CD1-CD2 4.13Å; L178-L252 HydrophobicContact CD1-CB 4.18Å; L178-L252 HydrophobicContact CD1-CD2 3.75Å
179	N	98.7	Very high	98.2	Very high	32 Å²	32	23.3 Å²	23.3	17%	0.171	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-47.6	174.8	-176.3	67.9	0	0	0	111.7	L175 D176 A177 N183 I317	L175-N179 WeakPolarHBondContact O-CB 3.33Å; L175-N179 PolarHBondContact O-N 2.71Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 3.49Å; A177-N179 VanDerWaalsContact C-N 3.34Å; N179-N183 VanDerWaalsContact O-CB 3.3Å; N179-N183 WeakPolarHBondContact O-CB 3.19Å; N179-N183 PolarHBondContact O-N 2.94Å; N179-N183 PolarHBondContact OD1-ND2 3.05Å; N179-I317 VanDerWaalsContact CA-CD1 3.49Å; N179-I317 HydrophobicContact CB-CD1 3.95Å; N179-I317 HydrophobicContact CB-CG2 4.04Å
180	Y	98.7	Very high	98.3	Very high	26 Å²	26	22.2 Å²	22.2	10%	0.102	11%	0.113	C	C	.	.	I	π-helix	trans	-61.2	-45	174.5	169.5	-98.8	0	0	0	112	L122 K123 H124 I127 D176 A177 L178 D184 Q185	L122-Y180 HydrophobicContact CB-CE1 4.22Å; L122-Y180 HydrophobicContact CD2-CE1 4.14Å; K123-Y180 PolarHBondContact N-OH 2.86Å; K123-Y180 VanDerWaalsContact N-OH 3.14Å; H124-Y180 HydrophobicContact CB-CD1 3.73Å; H124-Y180 HydrophobicContact CB-CE1 3.89Å; H124-Y180 HydrophobicContact CB-CG 4.12Å; H124-Y180 AromaticContact CD2-CG 3.68Å; H124-Y180 AromaticContact CG-CG 4Å; I127-Y180 HydrophobicContact CD1-CD1 3.72Å; I127-Y180 HydrophobicContact CD1-CE1 4.06Å; D176-Y180 PolarHBondContact O-N 2.77Å; A177-Y180 PolarHBondContact O-N 3.19Å; L178-Y180 PolarHBondContact O-N 3.48Å; Y180-D184 HydrophobicContact CD2-CB 3.93Å; Y180-D184 WeakPolarHBondContact CD2-OD2 3.28Å; Y180-D184 HydrophobicContact CE2-CB 4.25Å; Y180-D184 WeakPolarHBondContact O-CA 3.3Å; Y180-D184 WeakPolarHBondContact O-CB 3.43Å; Y180-D184 PolarHBondContact O-N 3.11Å; Y180-Q185 HydrophobicContact CD1-CG 3.97Å; Y180-Q185 HydrophobicContact CD2-CG 4.39Å; Y180-Q185 HydrophobicContact CE1-CG 3.37Å; Y180-Q185 HydrophobicContact CE2-CG 3.86Å; Y180-Q185 HydrophobicContact CG-CG 4.45Å; Y180-Q185 PolarHBondContact O-N 3.24Å; Y180-Q185 VanDerWaalsContact OH-CD 3.23Å; Y180-Q185 WeakPolarHBondContact OH-CG 3.38Å; Y180-Q185 PolarHBondContact OH-NE2 2.67Å
181	L	98.6	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-61.5	-51.1	178.5	-72.5	175.7	0	0	0	112	L122 I127 A177 L178 Q185 Q186 I187 H189 L207 F210	L122-L181 HydrophobicContact CD1-CD2 3.79Å; L122-L181 HydrophobicContact CD2-CD2 4Å; I127-L181 HydrophobicContact CD1-CD1 4.23Å; I127-L181 HydrophobicContact CD1-CD2 3.79Å; I127-L181 HydrophobicContact CD1-CG 3.83Å; A177-L181 WeakPolarHBondContact O-CG 3.41Å; A177-L181 PolarHBondContact O-N 3.17Å; L178-L181 HydrophobicContact CD2-CD1 4.3Å; L178-L181 PolarHBondContact O-N 3.32Å; L181-Q185 CarbonylContact O-C 3.56Å; L181-Q185 PolarHBondContact O-N 3.36Å; L181-Q186 PolarHBondContact O-N 2.84Å; L181-I187 CarbonylContact C-O 3.55Å; L181-I187 HydrophobicContact CB-CB 4.45Å; L181-I187 HydrophobicContact CD2-CB 4.13Å; L181-I187 HydrophobicContact CD2-CD1 4.21Å; L181-I187 HydrophobicContact CD2-CG2 4.09Å; L181-I187 PolarHBondContact O-N 3.32Å; L181-H189 HydrophobicContact CD1-CB 4.3Å; L181-L207 HydrophobicContact CD1-CD2 3.91Å; L181-F210 HydrophobicContact CD1-CE1 4Å; L181-F210 HydrophobicContact CD1-CZ 4.37Å; L181-F210 HydrophobicContact CD2-CE1 3.92Å; L181-F210 HydrophobicContact CD2-CZ 4.49Å
182	H	98.4	Very high	98.3	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.042	11%	0.114	C	C	.	.	I	π-helix	trans	-71.5	-48.3	-173.4	-62.4	173.4	0	0	0	111.8	L178 Q186 I187 P245 D248	L178-H182 VanDerWaalsContact O-CB 3.29Å; L178-H182 WeakPolarHBondContact O-CB 3.33Å; L178-H182 PolarHBondContact O-CD2 2.72Å; L178-H182 PolarHBondContact O-N 2.98Å; H182-Q186 PolarHBondContact O-NE2 3.45Å; H182-I187 PolarHBondContact CD2-O 3.42Å; H182-I187 VanDerWaalsContact CD2-O 3.26Å; H182-P245 HydrophobicContact CB-CB 4.36Å; H182-P245 HydrophobicContact CB-CG 4.44Å; H182-D248 IonicContact CD2-OD2 2.73Å; H182-D248 IonicContact CE1-OD2 2.79Å; H182-D248 IonicContact NE2-OD2 3.18Å; H182-D248 PolarHBondContact NE2-OD2 3.43Å
183	N	97.9	Very high	98.2	Very high	93 Å²	93	23.1 Å²	23.1	50%	0.497	12%	0.116	S	C	.	.	I	π-helix	trans	-89.3	-47.3	-171	-65.3	-27.4	0	0	0	112.2	N179 Q186	N179-N183 VanDerWaalsContact O-CB 3.3Å; N179-N183 WeakPolarHBondContact O-CB 3.19Å; N179-N183 PolarHBondContact O-N 2.94Å; N179-N183 PolarHBondContact OD1-ND2 3.05Å; N183-Q186 PolarHBondContact O-NE2 3.1Å
184	D	98	Very high	97.9	Very high	101 Å²	101	22.4 Å²	22.4	54%	0.54	11%	0.113	S	C	.	.	I	π-helix	trans	-89	-34.9	-171.2	-51.2	-24.2	0	0	0	111.9	Y180	Y180-D184 HydrophobicContact CD2-CB 3.93Å; Y180-D184 WeakPolarHBondContact CD2-OD2 3.28Å; Y180-D184 HydrophobicContact CE2-CB 4.25Å; Y180-D184 WeakPolarHBondContact O-CA 3.3Å; Y180-D184 WeakPolarHBondContact O-CB 3.43Å; Y180-D184 PolarHBondContact O-N 3.11Å
185	Q	97.8	Very high	97.5	Very high	38 Å²	38	23.2 Å²	23.2	18%	0.178	12%	0.116	C	C	.	.	S	Bend	trans	-106.9	-9.9	-173.4	-62.4	-58.7	-61.1	0	0	115	R121 L122 Y180 L181 I187	R121-Q185 PolarHBondContact NH1-O 3.48Å; R121-Q185 VanDerWaalsContact NH1-O 3.14Å; R121-Q185 PolarHBondContact NH2-O 3.04Å; L122-Q185 HydrophobicContact CD2-CB 4.2Å; L122-Q185 HydrophobicContact CD2-CG 3.88Å; Y180-Q185 HydrophobicContact CD1-CG 3.97Å; Y180-Q185 HydrophobicContact CD2-CG 4.39Å; Y180-Q185 HydrophobicContact CE1-CG 3.37Å; Y180-Q185 HydrophobicContact CE2-CG 3.86Å; Y180-Q185 HydrophobicContact CG-CG 4.45Å; Y180-Q185 PolarHBondContact O-N 3.24Å; Y180-Q185 VanDerWaalsContact OH-CD 3.23Å; Y180-Q185 WeakPolarHBondContact OH-CG 3.38Å; Y180-Q185 PolarHBondContact OH-NE2 2.67Å; L181-Q185 CarbonylContact O-C 3.56Å; L181-Q185 PolarHBondContact O-N 3.36Å; Q185-I187 VanDerWaalsContact C-N 3.31Å; Q185-I187 HydrophobicContact CB-CD1 3.99Å; Q185-I187 HydrophobicContact CB-CG1 4.36Å; Q185-I187 PolarHBondContact O-N 3.49Å
186	Q	98	Very high	97.3	Very high	80 Å²	80	23.7 Å²	23.7	37%	0.374	12%	0.119	S	C	.	.			trans	51	49.2	-176.2	-59.6	-66.1	-56.5	0	0	111.7	L181 H182 N183 L216 R217	L181-Q186 PolarHBondContact O-N 2.84Å; H182-Q186 PolarHBondContact O-NE2 3.45Å; N183-Q186 PolarHBondContact O-NE2 3.1Å; Q186-L216 HydrophobicContact CB-CB 4.4Å; Q186-L216 VanDerWaalsContact O-CB 3.28Å; Q186-L216 WeakPolarHBondContact O-CB 3.44Å; Q186-L216 WeakPolarHBondContact O-CG 3.49Å; Q186-L216 PolarHBondContact O-N 3.02Å; Q186-R217 HydrophobicContact CB-CG 3.73Å; Q186-R217 HydrophobicContact CG-CG 4.21Å
187	I	98.3	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.3	177	-72.3	163.6	0	0	0	108.9	L118 R121 L122 L181 H182 Q185 A213 V214	L118-I187 HydrophobicContact CD1-CD1 4.39Å; L118-I187 HydrophobicContact CD1-CG1 4.36Å; L118-I187 HydrophobicContact CD2-CD1 3.62Å; L118-I187 HydrophobicContact CD2-CG1 4.35Å; L118-I187 HydrophobicContact CD2-CG2 4.23Å; L118-I187 HydrophobicContact CG-CD1 3.85Å; L118-I187 HydrophobicContact CG-CG1 4.35Å; R121-I187 VanDerWaalsContact CZ-CD1 3.45Å; L122-I187 HydrophobicContact CD1-CD1 4.46Å; L122-I187 HydrophobicContact CD2-CD1 3.44Å; L122-I187 VanDerWaalsContact CD2-CD1 3.44Å; L122-I187 HydrophobicContact CG-CD1 4.45Å; L181-I187 CarbonylContact C-O 3.55Å; L181-I187 HydrophobicContact CB-CB 4.45Å; L181-I187 HydrophobicContact CD2-CB 4.13Å; L181-I187 HydrophobicContact CD2-CD1 4.21Å; L181-I187 HydrophobicContact CD2-CG2 4.09Å; L181-I187 PolarHBondContact O-N 3.32Å; H182-I187 PolarHBondContact CD2-O 3.42Å; H182-I187 VanDerWaalsContact CD2-O 3.26Å; Q185-I187 VanDerWaalsContact C-N 3.31Å; Q185-I187 HydrophobicContact CB-CD1 3.99Å; Q185-I187 HydrophobicContact CB-CG1 4.36Å; Q185-I187 PolarHBondContact O-N 3.49Å; I187-A213 HydrophobicContact CG2-CB 4.13Å; I187-V214 VanDerWaalsContact CA-O 3.3Å; I187-V214 WeakPolarHBondContact CA-O 3.36Å
188	A	98.2	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.9	159.5	0	0	0	0	0	109.9	L190 A213 V214 L216 D248	A188-L190 HydrophobicContact CB-CD1 4.44Å; A188-L190 HydrophobicContact CB-CD2 3.79Å; A188-L190 HydrophobicContact CB-CG 3.93Å; A188-A213 CarbonylContact O-C 3.36Å; A188-A213 WeakPolarHBondContact O-CA 3.32Å; A188-V214 PolarHBondContact N-O 3.07Å; A188-V214 PolarHBondContact O-N 2.97Å; A188-L216 HydrophobicContact CB-CD1 4.38Å; A188-L216 HydrophobicContact CB-CD2 4.06Å; A188-L216 HydrophobicContact CB-CG 4.46Å; A188-D248 WeakPolarHBondContact CA-OD2 3.36Å
189	H	98.5	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.			trans	-82.9	-43	-177	-178.5	-88.9	0	0	0	112.6	L178 L181 D191 V192 L207 I208 D209 F210 W212 D248	L178-H189 HydrophobicContact CD2-CB 4.4Å; L181-H189 HydrophobicContact CD1-CB 4.3Å; H189-D191 VanDerWaalsContact CE1-C 3.49Å; H189-D191 PolarHBondContact CE1-O 3.18Å; H189-D191 VanDerWaalsContact ND1-C 3.32Å; H189-D191 PolarHBondContact ND1-N 2.96Å; H189-D191 PolarHBondContact O-N 2.94Å; H189-D191 VanDerWaalsContact O-N 3.1Å; H189-V192 HydrophobicContact CB-CG2 4.15Å; H189-V192 PolarHBondContact ND1-N 2.82Å; H189-L207 HydrophobicContact CB-CD2 4.31Å; H189-L207 VanDerWaalsContact CD2-CD2 3.41Å; H189-L207 WeakPolarHBondContact CD2-CD2 3.49Å; H189-I208 PolarHBondContact NE2-O 3.19Å; H189-I208 VanDerWaalsContact NE2-O 3.14Å; H189-D209 PolarHBondContact NE2-O 3.36Å; H189-D209 VanDerWaalsContact NE2-O 3.13Å; H189-F210 AromaticContact CD2-CE1 3.87Å; H189-W212 CarbonylContact O-C 3.58Å; H189-D248 PolarHBondContact N-OD2 2.84Å
190	L	97.7	Very high	96.3	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.047	11%	0.114	C	C	.	.			trans	67.2	-3.9	173.5	-52.7	177.7	0	0	0	117.2	A188 W212 V214 I222 V226 D248	A188-L190 HydrophobicContact CB-CD1 4.44Å; A188-L190 HydrophobicContact CB-CD2 3.79Å; A188-L190 HydrophobicContact CB-CG 3.93Å; L190-W212 HydrophobicContact CB-CB 4.19Å; L190-V214 HydrophobicContact CD1-CB 4.33Å; L190-V214 HydrophobicContact CD1-CG2 3.84Å; L190-I222 HydrophobicContact CD1-CD1 3.98Å; L190-I222 HydrophobicContact CD1-CG1 3.82Å; L190-I222 HydrophobicContact CD1-CG2 4.2Å; L190-I222 HydrophobicContact CD2-CD1 4.05Å; L190-V226 HydrophobicContact CB-CG2 3.93Å; L190-V226 HydrophobicContact CD1-CG2 4.09Å; L190-V226 HydrophobicContact CG-CG2 4.47Å; L190-D248 VanDerWaalsContact CA-OD1 3.3Å; L190-D248 WeakPolarHBondContact CA-OD1 3.31Å; L190-D248 PolarHBondContact N-OD1 3.21Å
191	D	96.6	Very high	95.5	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.032	13%	0.133	C	C	.	.			trans	-135	46	173.6	-160.7	33.9	0	0	0	113.5	H189 K193 N196 W212 G227 T228	H189-D191 VanDerWaalsContact CE1-C 3.49Å; H189-D191 PolarHBondContact CE1-O 3.18Å; H189-D191 VanDerWaalsContact ND1-C 3.32Å; H189-D191 PolarHBondContact ND1-N 2.96Å; H189-D191 PolarHBondContact O-N 2.94Å; H189-D191 VanDerWaalsContact O-N 3.1Å; D191-K193 PolarHBondContact O-N 3.08Å; D191-K193 IonicContact OD1-NZ 3.09Å; D191-K193 PolarHBondContact OD1-NZ 2.79Å; D191-K193 IonicContact OD2-NZ 3.78Å; D191-K193 PolarHBondContact OD2-NZ 2.86Å; D191-N196 PolarHBondContact O-ND2 3.27Å; D191-N196 PolarHBondContact OD2-ND2 2.84Å; D191-W212 HydrophobicContact CB-CB 4.26Å; D191-W212 HydrophobicContact CB-CG 4.26Å; D191-G227 WeakPolarHBondContact OD1-CA 3.47Å; D191-T228 WeakPolarHBondContact OD1-CB 3.45Å; D191-T228 PolarHBondContact OD1-N 2.75Å; D191-T228 PolarHBondContact OD1-OG1 2.66Å
192	V	98.4	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.			trans	-71.9	118.7	176.2	-178.6	0	0	0	0	110.3	I174 L178 H189 L207 S251 L252	I174-V192 HydrophobicContact CG2-CG1 4.3Å; L178-V192 HydrophobicContact CD1-CG2 4.49Å; L178-V192 HydrophobicContact CD2-CG2 3.99Å; H189-V192 HydrophobicContact CB-CG2 4.15Å; H189-V192 PolarHBondContact ND1-N 2.82Å; V192-L207 HydrophobicContact CG2-CD1 4.49Å; V192-S251 WeakPolarHBondContact O-CB 3.16Å; V192-L252 HydrophobicContact CG1-CB 4.17Å; V192-L252 HydrophobicContact CG1-CD1 4.21Å
193	K	95.5	Very high	94.6	Very high	27 Å²	27	37.6 Å²	37.6	12%	0.117	18%	0.181	C	C	.	.	S	Bend	trans	-160.1	163.3	179.6	65.3	-166.6	-172.8	-147.4	0	110.7	D191 E195 N196 I197 T228 Y231 T255	D191-K193 PolarHBondContact O-N 3.08Å; D191-K193 IonicContact OD1-NZ 3.09Å; D191-K193 PolarHBondContact OD1-NZ 2.79Å; D191-K193 IonicContact OD2-NZ 3.78Å; D191-K193 PolarHBondContact OD2-NZ 2.86Å; K193-E195 HydrophobicContact CD-CB 4.46Å; K193-E195 HydrophobicContact CG-CB 4.2Å; K193-E195 WeakPolarHBondContact CG-OE2 3.27Å; K193-E195 PolarHBondContact O-N 2.78Å; K193-N196 WeakPolarHBondContact CE-ND2 3.47Å; K193-N196 WeakPolarHBondContact CE-OD1 3.4Å; K193-N196 HydrophobicContact CG-CB 4.07Å; K193-N196 PolarHBondContact O-N 2.94Å; K193-I197 WeakPolarHBondContact O-CG1 3.42Å; K193-I197 PolarHBondContact O-N 2.94Å; K193-T228 HydrophobicContact CD-CG2 4.27Å; K193-T228 VanDerWaalsContact CD-OG1 3.27Å; K193-T228 WeakPolarHBondContact CD-OG1 3.41Å; K193-T228 PolarHBondContact NZ-OG1 2.72Å; K193-Y231 HydrophobicContact CB-CD1 4.13Å; K193-Y231 HydrophobicContact CB-CD2 3.73Å; K193-Y231 HydrophobicContact CB-CE1 4.28Å; K193-Y231 HydrophobicContact CB-CE2 3.85Å; K193-Y231 HydrophobicContact CB-CG 3.86Å; K193-Y231 HydrophobicContact CD-CD2 4.34Å; K193-Y231 HydrophobicContact CD-CE2 4.47Å; K193-T255 WeakPolarHBondContact CA-OG1 3.41Å
194	P	92.8	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-54.3	-33	178.9	-24.9	32.3	0	0	0	114.9	L152 F153 I156 N196 I197 Y231 T255	L152-P194 PolarHBondContact N-O 3.19Å; F153-P194 HydrophobicContact CB-CB 3.87Å; F153-P194 HydrophobicContact CD2-CB 4.01Å; F153-P194 HydrophobicContact CG-CB 4.46Å; F153-P194 PolarHBondContact N-O 2.79Å; I156-P194 HydrophobicContact CD1-CB 3.83Å; I156-P194 HydrophobicContact CD1-CG 3.99Å; P194-N196 VanDerWaalsContact C-N 3.33Å; P194-I197 PolarHBondContact O-N 3.43Å; P194-Y231 VanDerWaalsContact CD-CE1 3.49Å; P194-Y231 WeakPolarHBondContact CD-OH 3.33Å; P194-Y231 HydrophobicContact CG-CE1 4.23Å; P194-T255 HydrophobicContact CG-CG2 4.02Å
195	E	90.8	Very high	94.4	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-69.1	-31.4	178.3	-60.6	88.6	152	0	0	112	F153 K193 I197	F153-E195 HydrophobicContact CB-CG 3.87Å; F153-E195 HydrophobicContact CD1-CG 4.24Å; F153-E195 HydrophobicContact CD2-CG 4.2Å; F153-E195 HydrophobicContact CG-CG 3.83Å; K193-E195 HydrophobicContact CD-CB 4.46Å; K193-E195 HydrophobicContact CG-CB 4.2Å; K193-E195 WeakPolarHBondContact CG-OE2 3.27Å; K193-E195 PolarHBondContact O-N 2.78Å; E195-I197 VanDerWaalsContact C-N 3.3Å
196	N	95.2	Very high	94.4	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-93.2	12.5	178.4	-69.4	-3.5	0	0	0	112.6	D191 K193 P194 I208	D191-N196 PolarHBondContact O-ND2 3.27Å; D191-N196 PolarHBondContact OD2-ND2 2.84Å; K193-N196 WeakPolarHBondContact CE-ND2 3.47Å; K193-N196 WeakPolarHBondContact CE-OD1 3.4Å; K193-N196 HydrophobicContact CG-CB 4.07Å; K193-N196 PolarHBondContact O-N 2.94Å; P194-N196 VanDerWaalsContact C-N 3.33Å; N196-I208 VanDerWaalsContact C-CG1 3.43Å; N196-I208 HydrophobicContact CB-CG1 4.29Å; N196-I208 WeakPolarHBondContact O-CG1 3.3Å; N196-I208 PolarHBondContact O-N 3.27Å
197	I	97.2	Very high	94.5	Very high	1 Å²	1	29 Å²	29	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.7	173.1	-64.6	161.8	0	0	0	107.3	L152 I174 K193 P194 E195 A205 L207 T255	L152-I197 HydrophobicContact CB-CB 4.05Å; L152-I197 HydrophobicContact CB-CG2 3.95Å; L152-I197 WeakPolarHBondContact CB-O 3.39Å; L152-I197 HydrophobicContact CD2-CB 4.19Å; L152-I197 HydrophobicContact CD2-CD1 4.14Å; L152-I197 HydrophobicContact CD2-CG2 3.92Å; L152-I197 PolarHBondContact N-O 3.02Å; I174-I197 HydrophobicContact CD1-CG1 4.05Å; I174-I197 HydrophobicContact CD1-CG2 3.91Å; I174-I197 HydrophobicContact CG1-CD1 3.95Å; I174-I197 HydrophobicContact CG1-CG1 4.02Å; I174-I197 HydrophobicContact CG1-CG2 4.03Å; I174-I197 HydrophobicContact CG2-CD1 4.38Å; K193-I197 WeakPolarHBondContact O-CG1 3.42Å; K193-I197 PolarHBondContact O-N 2.94Å; P194-I197 PolarHBondContact O-N 3.43Å; E195-I197 VanDerWaalsContact C-N 3.3Å; I197-A205 HydrophobicContact CG2-CB 3.87Å; I197-L207 HydrophobicContact CG1-CD1 4.22Å; I197-T255 HydrophobicContact CD1-CG2 3.77Å
198	M	95	Very high	94.3	Very high	38 Å²	38	30.6 Å²	30.6	19%	0.187	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155	177.7	-75.7	-165.8	83.2	0	0	111.7	L147 G150 E151 A205 K206 I208	L147-M198 HydrophobicContact CB-CB 3.93Å; L147-M198 HydrophobicContact CB-CE 3.87Å; L147-M198 HydrophobicContact CB-SD 4.08Å; L147-M198 HydrophobicContact CD1-CB 3.44Å; L147-M198 VanDerWaalsContact CD1-CB 3.44Å; L147-M198 HydrophobicContact CD1-CG 4.35Å; L147-M198 HydrophobicContact CD1-SD 4.17Å; L147-M198 HydrophobicContact CG-CB 4.33Å; L147-M198 VanDerWaalsContact O-CE 3.25Å; L147-M198 WeakPolarHBondContact O-CE 3.37Å; G150-M198 CarbonylContact O-C 3.58Å; G150-M198 VanDerWaalsContact O-CA 3.31Å; G150-M198 WeakPolarHBondContact O-CA 3.36Å; E151-M198 HydrophobicContact CG-CG 4.38Å; M198-A205 CarbonylContact O-C 3.59Å; M198-A205 WeakPolarHBondContact O-CA 3.18Å; M198-K206 PolarHBondContact N-O 2.91Å; M198-K206 PolarHBondContact O-N 3.01Å; M198-I208 HydrophobicContact CB-CG2 4.15Å; M198-I208 HydrophobicContact CG-CD1 3.69Å; M198-I208 HydrophobicContact CG-CG1 4.14Å; M198-I208 HydrophobicContact CG-CG2 4.15Å; M198-I208 HydrophobicContact SD-CD1 3.81Å; M198-I208 HydrophobicContact SD-CG2 4.25Å
199	L	91.9	Very high	94.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.4	-178.4	-56.8	177.7	0	0	0	110.8	L147 G149 G150 R155 Y170 R204 A205	L147-L199 CarbonylContact C-O 3.56Å; G149-L199 WeakPolarHBondContact CA-O 3.39Å; G149-L199 PolarHBondContact N-O 2.92Å; G150-L199 PolarHBondContact O-N 2.78Å; R155-L199 HydrophobicContact CG-CD1 3.77Å; R155-L199 VanDerWaalsContact CZ-CD1 3.44Å; Y170-L199 HydrophobicContact CD1-CD2 3.88Å; Y170-L199 HydrophobicContact CE1-CD1 4.45Å; Y170-L199 HydrophobicContact CE1-CD2 3.57Å; L199-R204 CarbonylContact C-O 3.48Å; L199-R204 WeakPolarHBondContact CA-O 3.29Å; L199-A205 HydrophobicContact CD2-CB 4.04Å
200	T	88.8	Confident	93.9	Very high	22 Å²	22	32.8 Å²	32.8	14%	0.135	15%	0.15	C	C	.	.			trans	-76.4	170.1	170.5	62.8	0	0	0	0	110.9	L147 K202 D203 R204 K206	L147-T200 HydrophobicContact CD2-CG2 3.9Å; T200-K202 PolarHBondContact O-N 2.94Å; T200-K202 VanDerWaalsContact O-N 3.12Å; T200-K202 PolarHBondContact OG1-N 3.32Å; T200-D203 PolarHBondContact O-N 3.04Å; T200-R204 HydrophobicContact CG2-CB 4.39Å; T200-R204 PolarHBondContact N-O 3.46Å; T200-R204 WeakPolarHBondContact OG1-CB 3.34Å; T200-R204 PolarHBondContact OG1-N 3.4Å; T200-R204 VanDerWaalsContact OG1-N 3.08Å; T200-R204 PolarHBondContact OG1-O 3.14Å; T200-K206 HydrophobicContact CG2-CD 3.94Å; T200-K206 HydrophobicContact CG2-CG 4.08Å
201	K	82.8	Confident	93.7	Very high	117 Å²	117	34.5 Å²	34.5	51%	0.509	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-30.4	169.5	175.3	175	160.2	168.9	0	113.7	P148 D203 A399	P148-K201 HydrophobicContact CG-CB 3.87Å; K201-D203 VanDerWaalsContact C-N 3.31Å; K201-A399 WeakPolarHBondContact CD-O 3.43Å; K201-A399 WeakPolarHBondContact CE-O 3.35Å; K201-A399 PolarHBondContact NZ-O 2.82Å
202	K	87.5	Confident	93.6	Very high	176 Å²	176	39.9 Å²	39.9	77%	0.765	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	21.5	178.8	-63.1	-176.5	178.3	179.2	0	112.9	T200 R204	T200-K202 PolarHBondContact O-N 2.94Å; T200-K202 VanDerWaalsContact O-N 3.12Å; T200-K202 PolarHBondContact OG1-N 3.32Å; K202-R204 HydrophobicContact CB-CG 4.46Å; K202-R204 PolarHBondContact O-N 2.84Å
203	D	89.5	Confident	93.5	Very high	53 Å²	53	40.3 Å²	40.3	28%	0.283	19%	0.193	S	C	.	.	S	Bend	trans	55.2	35.8	179.2	-152.7	54.3	0	0	0	113.4	R155 Q166 Y170 T200 K201	R155-D203 IonicContact CZ-OD1 3.6Å; R155-D203 IonicContact NH1-OD1 3.8Å; R155-D203 PolarHBondContact NH1-OD1 2.96Å; R155-D203 IonicContact NH2-OD1 3.98Å; R155-D203 PolarHBondContact NH2-OD1 3.07Å; Q166-D203 PolarHBondContact NE2-OD2 2.83Å; Y170-D203 PolarHBondContact OH-OD1 3Å; Y170-D203 PolarHBondContact OH-OD2 3.35Å; T200-D203 PolarHBondContact O-N 3.04Å; K201-D203 VanDerWaalsContact C-N 3.31Å
204	R	94.6	Very high	93.5	Very high	106 Å²	106	40.3 Å²	40.3	40%	0.4	20%	0.195	S	C	.	.			trans	-100.2	135.6	172.1	-55.8	-179.7	62.5	106.4	0.4	110.5	H125 L199 T200 K202	H125-R204 PolarHBondContact CD2-NH2 2.83Å; L199-R204 CarbonylContact C-O 3.48Å; L199-R204 WeakPolarHBondContact CA-O 3.29Å; T200-R204 HydrophobicContact CG2-CB 4.39Å; T200-R204 PolarHBondContact N-O 3.46Å; T200-R204 WeakPolarHBondContact OG1-CB 3.34Å; T200-R204 PolarHBondContact OG1-N 3.4Å; T200-R204 VanDerWaalsContact OG1-N 3.08Å; T200-R204 PolarHBondContact OG1-O 3.14Å; K202-R204 HydrophobicContact CB-CG 4.46Å; K202-R204 PolarHBondContact O-N 2.84Å
205	A	97.5	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.6	176.8	0	0	0	0	0	112.4	N126 Y170 Q173 I174 I197 M198 L199	N126-A205 PolarHBondContact ND2-O 2.86Å; Y170-A205 HydrophobicContact CD1-CB 3.97Å; Y170-A205 HydrophobicContact CG-CB 4.38Å; Q173-A205 HydrophobicContact CB-CB 4.23Å; I174-A205 HydrophobicContact CD1-CB 3.94Å; I174-A205 HydrophobicContact CG1-CB 4.16Å; I197-A205 HydrophobicContact CG2-CB 3.87Å; M198-A205 CarbonylContact O-C 3.59Å; M198-A205 WeakPolarHBondContact O-CA 3.18Å; L199-A205 HydrophobicContact CD2-CB 4.04Å
206	K	98.5	Very high	94	Very high	26 Å²	26	41.5 Å²	41.5	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.5	170.3	-67.7	-166.7	167.6	-170.3	0	109.8	H125 N126 E145 L147 M198 T200	H125-K206 WeakPolarHBondContact O-CE 3.43Å; N126-K206 CarbonylContact O-C 3.57Å; N126-K206 WeakPolarHBondContact O-CA 3.41Å; E145-K206 IonicContact OE1-NZ 2.72Å; E145-K206 PolarHBondContact OE1-NZ 3.19Å; E145-K206 IonicContact OE2-NZ 2.87Å; E145-K206 PolarHBondContact OE2-NZ 3Å; L147-K206 HydrophobicContact CD1-CB 4.05Å; L147-K206 HydrophobicContact CD1-CD 4.48Å; L147-K206 HydrophobicContact CD2-CD 3.81Å; M198-K206 PolarHBondContact N-O 2.91Å; M198-K206 PolarHBondContact O-N 3.01Å; T200-K206 HydrophobicContact CG2-CD 3.94Å; T200-K206 HydrophobicContact CG2-CG 4.08Å
207	L	98.6	Very high	94.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.8	172.5	-165.6	65.2	0	0	0	109.6	N126 A128 I174 L178 L181 H189 V192 I197	N126-L207 PolarHBondContact O-N 3.32Å; A128-L207 PolarHBondContact N-O 3.32Å; I174-L207 HydrophobicContact CD1-CB 4.29Å; I174-L207 HydrophobicContact CG2-CD1 4.48Å; L178-L207 HydrophobicContact CD2-CD2 4.35Å; L181-L207 HydrophobicContact CD1-CD2 3.91Å; H189-L207 HydrophobicContact CB-CD2 4.31Å; H189-L207 VanDerWaalsContact CD2-CD2 3.41Å; H189-L207 WeakPolarHBondContact CD2-CD2 3.49Å; V192-L207 HydrophobicContact CG2-CD1 4.49Å; I197-L207 HydrophobicContact CG1-CD1 4.22Å
208	I	95.8	Very high	93.9	Very high	33 Å²	33	56.8 Å²	56.8	17%	0.169	26%	0.264	C	S	.	.			trans	-125.8	173	178.2	60.7	152.2	0	0	0	110.1	A128 L147 H189 N196 M198	A128-I208 HydrophobicContact CB-CG2 3.54Å; L147-I208 HydrophobicContact CD1-CG2 3.76Å; H189-I208 PolarHBondContact NE2-O 3.19Å; H189-I208 VanDerWaalsContact NE2-O 3.14Å; N196-I208 VanDerWaalsContact C-CG1 3.43Å; N196-I208 HydrophobicContact CB-CG1 4.29Å; N196-I208 WeakPolarHBondContact O-CG1 3.3Å; N196-I208 PolarHBondContact O-N 3.27Å; M198-I208 HydrophobicContact CB-CG2 4.15Å; M198-I208 HydrophobicContact CG-CD1 3.69Å; M198-I208 HydrophobicContact CG-CG1 4.14Å; M198-I208 HydrophobicContact CG-CG2 4.15Å; M198-I208 HydrophobicContact SD-CD1 3.81Å; M198-I208 HydrophobicContact SD-CG2 4.25Å
209	D	92.6	Very high	93.9	Very high	45 Å²	45	59 Å²	59	24%	0.241	27%	0.274	C	S	.	.			trans	61.9	87.8	171.1	-160.2	10.3	0	0	0	115.5	K85 H189 G211	K85-D209 IonicContact NZ-OD1 3.14Å; K85-D209 PolarHBondContact NZ-OD1 2.76Å; H189-D209 PolarHBondContact NE2-O 3.36Å; H189-D209 VanDerWaalsContact NE2-O 3.13Å; D209-G211 VanDerWaalsContact C-N 3.34Å
210	F	95.5	Very high	94	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.009	31%	0.305	C	S	.	.			trans	-94.9	18.9	-177.6	-74.3	-100.8	0	0	0	112.9	E115 L118 Q119 L122 I127 L181 H189 W212 A213	E115-F210 HydrophobicContact CG-CB 4.22Å; L118-F210 HydrophobicContact CD2-CB 4.32Å; L118-F210 HydrophobicContact CD2-CD1 3.66Å; L118-F210 HydrophobicContact CD2-CE1 4.42Å; L118-F210 HydrophobicContact CD2-CG 4.29Å; Q119-F210 HydrophobicContact CB-CB 4.39Å; Q119-F210 HydrophobicContact CB-CD2 4.21Å; Q119-F210 HydrophobicContact CB-CG 4.28Å; Q119-F210 HydrophobicContact CG-CD2 3.7Å; Q119-F210 HydrophobicContact CG-CE2 4.03Å; Q119-F210 HydrophobicContact CG-CG 4.26Å; L122-F210 HydrophobicContact CD1-CD1 3.97Å; L122-F210 HydrophobicContact CD1-CE1 3.37Å; L122-F210 HydrophobicContact CD1-CE2 4.3Å; L122-F210 HydrophobicContact CD1-CZ 3.57Å; I127-F210 HydrophobicContact CD1-CZ 4.43Å; I127-F210 HydrophobicContact CG2-CE2 3.77Å; I127-F210 HydrophobicContact CG2-CZ 3.6Å; L181-F210 HydrophobicContact CD1-CE1 4Å; L181-F210 HydrophobicContact CD1-CZ 4.37Å; L181-F210 HydrophobicContact CD2-CE1 3.92Å; L181-F210 HydrophobicContact CD2-CZ 4.49Å; H189-F210 AromaticContact CD2-CE1 3.87Å; F210-W212 PolarHBondContact O-N 3.47Å; F210-W212 VanDerWaalsContact O-N 3.14Å; F210-A213 HydrophobicContact CB-CB 3.89Å; F210-A213 HydrophobicContact CD1-CB 3.69Å; F210-A213 HydrophobicContact CG-CB 4.27Å; F210-A213 VanDerWaalsContact O-CB 3.27Å; F210-A213 WeakPolarHBondContact O-CB 3.42Å; F210-A213 PolarHBondContact O-N 3.16Å
211	G	92.4	Very high	94.4	Very high	44 Å²	44	68.5 Å²	68.5	45%	0.454	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	-176.6	0	0	0	0	0	114.7	D209	D209-G211 VanDerWaalsContact C-N 3.34Å
212	W	94.3	Very high	95	Very high	119 Å²	119	63.1 Å²	63.1	45%	0.451	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.2	174	-69.5	105.2	0	0	0	113.8	H189 L190 D191 F210 V226	H189-W212 CarbonylContact O-C 3.58Å; L190-W212 HydrophobicContact CB-CB 4.19Å; D191-W212 HydrophobicContact CB-CB 4.26Å; D191-W212 HydrophobicContact CB-CG 4.26Å; F210-W212 PolarHBondContact O-N 3.47Å; F210-W212 VanDerWaalsContact O-N 3.14Å; W212-V226 HydrophobicContact CD2-CB 4.12Å; W212-V226 HydrophobicContact CE3-CB 3.46Å; W212-V226 VanDerWaalsContact CE3-CB 3.46Å; W212-V226 HydrophobicContact CE3-CG1 3.68Å; W212-V226 HydrophobicContact CZ3-CB 3.7Å; W212-V226 HydrophobicContact CZ3-CG1 3.62Å
213	A	96.9	Very high	95.3	Very high	10 Å²	10	61.4 Å²	61.4	8%	0.083	29%	0.288	C	S	.	.			trans	-71.6	139.6	-171.7	0	0	0	0	0	111.9	L118 I187 A188 F210	L118-A213 HydrophobicContact CD1-CB 3.95Å; L118-A213 HydrophobicContact CD2-CB 3.94Å; I187-A213 HydrophobicContact CG2-CB 4.13Å; A188-A213 CarbonylContact O-C 3.36Å; A188-A213 WeakPolarHBondContact O-CA 3.32Å; F210-A213 HydrophobicContact CB-CB 3.89Å; F210-A213 HydrophobicContact CD1-CB 3.69Å; F210-A213 HydrophobicContact CG-CB 4.27Å; F210-A213 VanDerWaalsContact O-CB 3.27Å; F210-A213 WeakPolarHBondContact O-CB 3.42Å; F210-A213 PolarHBondContact O-N 3.16Å
214	V	96.4	Very high	95.3	Very high	26 Å²	26	61.1 Å²	61.1	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.7	-177.5	175.6	0	0	0	0	110.3	I187 A188 L190 L216 Q219	I187-V214 VanDerWaalsContact CA-O 3.3Å; I187-V214 WeakPolarHBondContact CA-O 3.36Å; A188-V214 PolarHBondContact N-O 3.07Å; A188-V214 PolarHBondContact O-N 2.97Å; L190-V214 HydrophobicContact CD1-CB 4.33Å; L190-V214 HydrophobicContact CD1-CG2 3.84Å; V214-L216 PolarHBondContact O-N 3.01Å; V214-Q219 HydrophobicContact CG1-CB 3.86Å; V214-Q219 HydrophobicContact CG1-CG 4.26Å
215	D	96.8	Very high	95	Very high	22 Å²	22	59.4 Å²	59.4	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	106.3	169.4	-169.4	-24.9	0	0	0	110	R121 R217 K218 Q219	R121-D215 IonicContact NH2-OD2 3.96Å; R121-D215 PolarHBondContact NH2-OD2 3.36Å; D215-R217 PolarHBondContact O-N 3.18Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 VanDerWaalsContact OD1-CB 3.29Å; D215-R217 WeakPolarHBondContact OD1-CB 3.32Å; D215-R217 WeakPolarHBondContact OD1-CG 3.48Å; D215-R217 IonicContact OD1-CZ 3.78Å; D215-R217 PolarHBondContact OD1-N 3.37Å; D215-R217 VanDerWaalsContact OD1-N 3.11Å; D215-R217 IonicContact OD1-NE 3.32Å; D215-R217 PolarHBondContact OD1-NE 3.38Å; D215-R217 IonicContact OD1-NH2 2.67Å; D215-R217 IonicContact OD2-CZ 2.71Å; D215-R217 IonicContact OD2-NE 2.84Å; D215-R217 PolarHBondContact OD2-NE 2.85Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.32Å; D215-K218 HydrophobicContact CB-CD 4.35Å; D215-K218 HydrophobicContact CB-CG 4.34Å; D215-K218 PolarHBondContact O-N 3.36Å; D215-Q219 PolarHBondContact O-N 3.26Å
216	L	97	Very high	94.7	Very high	21 Å²	21	60.4 Å²	60.4	11%	0.11	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	-174.6	-57.5	174.9	0	0	0	113.1	Q186 A188 V214 Q219 K220 I222 P245	Q186-L216 HydrophobicContact CB-CB 4.4Å; Q186-L216 VanDerWaalsContact O-CB 3.28Å; Q186-L216 WeakPolarHBondContact O-CB 3.44Å; Q186-L216 WeakPolarHBondContact O-CG 3.49Å; Q186-L216 PolarHBondContact O-N 3.02Å; A188-L216 HydrophobicContact CB-CD1 4.38Å; A188-L216 HydrophobicContact CB-CD2 4.06Å; A188-L216 HydrophobicContact CB-CG 4.46Å; V214-L216 PolarHBondContact O-N 3.01Å; L216-Q219 WeakPolarHBondContact CA-O 3.39Å; L216-Q219 CarbonylContact O-C 3.24Å; L216-K220 WeakPolarHBondContact O-CA 3.39Å; L216-K220 PolarHBondContact O-N 3.09Å; L216-I222 HydrophobicContact CD2-CD1 4.49Å; L216-P245 HydrophobicContact CD1-CG 3.85Å
217	R	95.9	Very high	94.2	Very high	156 Å²	156	60 Å²	60	59%	0.589	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-31.9	172.8	-57	168.7	-66.3	-177.7	6.2	111.6	R121 Q186 D215	R121-R217 VanDerWaalsContact CZ-NH2 3.31Å; Q186-R217 HydrophobicContact CB-CG 3.73Å; Q186-R217 HydrophobicContact CG-CG 4.21Å; D215-R217 PolarHBondContact O-N 3.18Å; D215-R217 VanDerWaalsContact O-N 3.14Å; D215-R217 VanDerWaalsContact OD1-CB 3.29Å; D215-R217 WeakPolarHBondContact OD1-CB 3.32Å; D215-R217 WeakPolarHBondContact OD1-CG 3.48Å; D215-R217 IonicContact OD1-CZ 3.78Å; D215-R217 PolarHBondContact OD1-N 3.37Å; D215-R217 VanDerWaalsContact OD1-N 3.11Å; D215-R217 IonicContact OD1-NE 3.32Å; D215-R217 PolarHBondContact OD1-NE 3.38Å; D215-R217 IonicContact OD1-NH2 2.67Å; D215-R217 IonicContact OD2-CZ 2.71Å; D215-R217 IonicContact OD2-NE 2.84Å; D215-R217 PolarHBondContact OD2-NE 2.85Å; D215-R217 IonicContact OD2-NH2 3.66Å; D215-R217 PolarHBondContact OD2-NH2 3.32Å
218	K	94.6	Very high	93.8	Very high	176 Å²	176	62 Å²	62	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-40.6	175.8	-62.6	-177.4	-179.3	179.7	0	111.1	D215	D215-K218 HydrophobicContact CB-CD 4.35Å; D215-K218 HydrophobicContact CB-CG 4.34Å; D215-K218 PolarHBondContact O-N 3.36Å
219	Q	93.6	Very high	93.6	Very high	85 Å²	85	63.3 Å²	63.3	40%	0.397	34%	0.337	S	S	.	.			trans	-136.6	93.9	-176.2	-179	175.9	-17.9	0	0	110.5	V214 D215 L216 L221	V214-Q219 HydrophobicContact CG1-CB 3.86Å; V214-Q219 HydrophobicContact CG1-CG 4.26Å; D215-Q219 PolarHBondContact O-N 3.26Å; L216-Q219 WeakPolarHBondContact CA-O 3.39Å; L216-Q219 CarbonylContact O-C 3.24Å; Q219-L221 WeakPolarHBondContact CG-O 3.18Å; Q219-L221 PolarHBondContact NE2-O 3.11Å; Q219-L221 VanDerWaalsContact NE2-O 3.09Å; Q219-L221 PolarHBondContact O-N 3.1Å
220	K	95.3	Very high	93.5	Very high	150 Å²	150	62 Å²	62	65%	0.652	33%	0.332	S	S	*	.	S	Bend	trans	-66.5	-34.9	-177.3	-174.6	175.5	-179.4	177.7	0	113.6	L216 F243	L216-K220 WeakPolarHBondContact O-CA 3.39Å; L216-K220 PolarHBondContact O-N 3.09Å; K220-F243 HydrophobicContact CG-CE1 4.31Å
221	L	96.3	Very high	93.5	Very high	72 Å²	72	62.2 Å²	62.2	38%	0.377	33%	0.332	S	S	.	.	S	Bend	trans	-117.2	132.3	-179.8	-66.2	172.4	0	0	0	109.9	Q219 P241 Y242 F243	Q219-L221 WeakPolarHBondContact CG-O 3.18Å; Q219-L221 PolarHBondContact NE2-O 3.11Å; Q219-L221 VanDerWaalsContact NE2-O 3.09Å; Q219-L221 PolarHBondContact O-N 3.1Å; L221-P241 HydrophobicContact CB-CB 3.82Å; L221-P241 HydrophobicContact CD1-CB 4.13Å; L221-P241 HydrophobicContact CG-CB 4.47Å; L221-Y242 WeakPolarHBondContact CA-O 3.42Å; L221-F243 HydrophobicContact CD2-CD1 3.76Å; L221-F243 HydrophobicContact CD2-CD2 4.18Å; L221-F243 HydrophobicContact CD2-CE1 3.6Å; L221-F243 HydrophobicContact CD2-CE2 4.03Å; L221-F243 HydrophobicContact CD2-CG 4.06Å; L221-F243 HydrophobicContact CD2-CZ 3.74Å
222	I	96.3	Very high	93.7	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-87.3	141.5	175.5	-57.2	113.1	0	0	0	109	L190 L216 V226 P241 Y242	L190-I222 HydrophobicContact CD1-CD1 3.98Å; L190-I222 HydrophobicContact CD1-CG1 3.82Å; L190-I222 HydrophobicContact CD1-CG2 4.2Å; L190-I222 HydrophobicContact CD2-CD1 4.05Å; L216-I222 HydrophobicContact CD2-CD1 4.49Å; I222-V226 HydrophobicContact CG2-CG1 4.34Å; I222-V226 HydrophobicContact CG2-CG2 4.46Å; I222-P241 CarbonylContact O-C 3.57Å; I222-P241 VanDerWaalsContact O-CA 3.22Å; I222-P241 WeakPolarHBondContact O-CA 3.45Å; I222-Y242 HydrophobicContact CB-CD2 4.39Å; I222-Y242 HydrophobicContact CB-CE1 4.27Å; I222-Y242 HydrophobicContact CB-CE2 3.89Å; I222-Y242 HydrophobicContact CD1-CE2 4.24Å; I222-Y242 HydrophobicContact CG2-CE1 4.2Å; I222-Y242 HydrophobicContact CG2-CE2 4.13Å; I222-Y242 VanDerWaalsContact CG2-OH 3.32Å; I222-Y242 WeakPolarHBondContact CG2-OH 3.45Å; I222-Y242 PolarHBondContact N-O 3.47Å; I222-Y242 PolarHBondContact O-N 2.88Å
223	Q	92.4	Very high	93.8	Very high	140 Å²	140	54.7 Å²	54.7	65%	0.654	29%	0.291	S	S	*	.			trans	-123.4	137.8	177.1	-66.9	-175.1	-8.2	0	0	109.2	P241	Q223-P241 HydrophobicContact CG-CB 3.86Å; Q223-P241 HydrophobicContact CG-CG 3.89Å
224	G	89.7	Confident	93.8	Very high	46 Å²	46	54.8 Å²	54.8	47%	0.474	29%	0.291	S	S	.	.	S	Bend	trans	87.2	171	179.1	0	0	0	0	0	114.4	Y242	G224-Y242 PolarHBondContact O-OH 2.8Å; G224-Y242 VanDerWaalsContact O-OH 3.08Å
225	A	89	Confident	93.8	Very high	70 Å²	70	54.8 Å²	54.8	58%	0.579	29%	0.289	S	S	*	.			trans	-82.1	124.4	179.6	0	0	0	0	0	110.3	V236	A225-V236 HydrophobicContact CB-CG1 4.24Å
226	V	90.3	Very high	93.7	Very high	21 Å²	21	54 Å²	54	13%	0.127	29%	0.286	C	S	.	.			trans	-133.2	160.2	-178.5	-57.6	0	0	0	0	110.2	L190 W212 I222 V236 Y242	L190-V226 HydrophobicContact CB-CG2 3.93Å; L190-V226 HydrophobicContact CD1-CG2 4.09Å; L190-V226 HydrophobicContact CG-CG2 4.47Å; W212-V226 HydrophobicContact CD2-CB 4.12Å; W212-V226 HydrophobicContact CE3-CB 3.46Å; W212-V226 VanDerWaalsContact CE3-CB 3.46Å; W212-V226 HydrophobicContact CE3-CG1 3.68Å; W212-V226 HydrophobicContact CZ3-CB 3.7Å; W212-V226 HydrophobicContact CZ3-CG1 3.62Å; I222-V226 HydrophobicContact CG2-CG1 4.34Å; I222-V226 HydrophobicContact CG2-CG2 4.46Å; V226-V236 HydrophobicContact CG2-CG1 4.43Å; V226-Y242 VanDerWaalsContact CG2-OH 3.26Å; V226-Y242 WeakPolarHBondContact CG2-OH 3.33Å
227	G	88.9	Confident	93.6	Very high	19 Å²	19	55.7 Å²	55.7	20%	0.196	29%	0.292	C	S	.	.	S	Bend	trans	71.1	-163.8	177.9	0	0	0	0	0	114.1	D191	D191-G227 WeakPolarHBondContact OD1-CA 3.47Å
228	T	89.8	Confident	93.4	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.252	28%	0.284	S	S	.	.			trans	-91.3	118.7	-174	-54.7	0	0	0	0	112.1	D191 K193 S230 Y231 A232	D191-T228 WeakPolarHBondContact OD1-CB 3.45Å; D191-T228 PolarHBondContact OD1-N 2.75Å; D191-T228 PolarHBondContact OD1-OG1 2.66Å; K193-T228 HydrophobicContact CD-CG2 4.27Å; K193-T228 VanDerWaalsContact CD-OG1 3.27Å; K193-T228 WeakPolarHBondContact CD-OG1 3.41Å; K193-T228 PolarHBondContact NZ-OG1 2.72Å; T228-S230 VanDerWaalsContact C-N 3.3Å; T228-S230 PolarHBondContact O-N 3.42Å; T228-Y231 HydrophobicContact CG2-CD2 3.81Å; T228-Y231 HydrophobicContact CG2-CE2 4.31Å; T228-Y231 PolarHBondContact O-N 2.84Å; T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 3.19Å
229	T	91.6	Very high	93.2	Very high	61 Å²	61	51.9 Å²	51.9	37%	0.374	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-41.5	-171	-55.5	0	0	0	0	115.8	Y231 F237 R268	T229-Y231 VanDerWaalsContact C-N 3.33Å; T229-Y231 PolarHBondContact O-N 3.41Å; T229-F237 HydrophobicContact CG2-CE1 4.03Å; T229-F237 HydrophobicContact CG2-CZ 3.9Å; T229-F237 WeakPolarHBondContact O-CZ 3.32Å; T229-R268 HydrophobicContact CG2-CB 3.91Å; T229-R268 HydrophobicContact CG2-CG 4.03Å
230	S	90.6	Very high	93.2	Very high	18 Å²	18	54 Å²	54	13%	0.126	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.7	-177	49.1	0	0	0	0	114	T228 W266 S267	T228-S230 VanDerWaalsContact C-N 3.3Å; T228-S230 PolarHBondContact O-N 3.42Å; S230-W266 PolarHBondContact O-NE1 2.64Å; S230-S267 WeakPolarHBondContact CA-O 3.49Å
231	Y	95.5	Very high	93.3	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.02	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-24.7	178.1	-61	-84.2	0	0	0	112.5	K193 P194 T228 T229 S251 V254 T258	K193-Y231 HydrophobicContact CB-CD1 4.13Å; K193-Y231 HydrophobicContact CB-CD2 3.73Å; K193-Y231 HydrophobicContact CB-CE1 4.28Å; K193-Y231 HydrophobicContact CB-CE2 3.85Å; K193-Y231 HydrophobicContact CB-CG 3.86Å; K193-Y231 HydrophobicContact CD-CD2 4.34Å; K193-Y231 HydrophobicContact CD-CE2 4.47Å; P194-Y231 VanDerWaalsContact CD-CE1 3.49Å; P194-Y231 WeakPolarHBondContact CD-OH 3.33Å; P194-Y231 HydrophobicContact CG-CE1 4.23Å; T228-Y231 HydrophobicContact CG2-CD2 3.81Å; T228-Y231 HydrophobicContact CG2-CE2 4.31Å; T228-Y231 PolarHBondContact O-N 2.84Å; T229-Y231 VanDerWaalsContact C-N 3.33Å; T229-Y231 PolarHBondContact O-N 3.41Å; Y231-S251 WeakPolarHBondContact O-CA 3.27Å; Y231-S251 PolarHBondContact O-OG 3.08Å; Y231-V254 HydrophobicContact CD1-CB 4.06Å; Y231-V254 HydrophobicContact CD1-CG1 3.62Å; Y231-V254 HydrophobicContact CE1-CG1 4.17Å; Y231-V254 HydrophobicContact CG-CG1 4.4Å; Y231-T258 HydrophobicContact CE1-CG2 4.32Å
232	A	96.1	Very high	93.4	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	28%	0.276	C	S	.	.	S	Bend	trans	-60.8	143.3	-177.1	0	0	0	0	0	113.1	T228 V236 F237 A269	T228-A232 WeakPolarHBondContact O-CB 3.31Å; T228-A232 PolarHBondContact O-N 3.19Å; A232-V236 HydrophobicContact CB-CB 4.34Å; A232-V236 HydrophobicContact CB-CG1 4.25Å; A232-V236 HydrophobicContact CB-CG2 4.31Å; A232-F237 HydrophobicContact CB-CE2 4.27Å; A232-F237 HydrophobicContact CB-CZ 3.81Å; A232-A269 WeakPolarHBondContact O-CB 3.49Å
233	A	96.9	Very high	93.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.298	C	S	.	.			trans	-68.6	152.9	-179.6	0	0	0	0	0	112.4	E235 V236 A247 F250	A233-E235 VanDerWaalsContact C-N 3.29Å; A233-E235 WeakPolarHBondContact CB-OE2 3.18Å; A233-E235 PolarHBondContact O-N 2.74Å; A233-V236 HydrophobicContact CB-CG2 4.17Å; A233-V236 WeakPolarHBondContact O-CB 3.35Å; A233-V236 WeakPolarHBondContact O-CG2 3.5Å; A233-V236 PolarHBondContact O-N 3.29Å; A233-A247 HydrophobicContact CB-CB 3.86Å; A233-F250 VanDerWaalsContact CA-CD1 3.42Å; A233-F250 HydrophobicContact CB-CB 3.78Å; A233-F250 HydrophobicContact CB-CD1 3.8Å; A233-F250 HydrophobicContact CB-CG 3.82Å
234	P	96.3	Very high	93.7	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.084	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.6	-34.4	-174.6	24.2	-36.9	0	0	0	114.6	V236 F237 A269 Y277 H309	P234-V236 PolarHBondContact O-N 3.3Å; P234-F237 PolarHBondContact O-N 3.09Å; P234-A269 VanDerWaalsContact CA-O 3.23Å; P234-A269 WeakPolarHBondContact CA-O 3.09Å; P234-A269 HydrophobicContact CB-CB 4.4Å; P234-A269 VanDerWaalsContact CB-O 3.29Å; P234-A269 WeakPolarHBondContact CB-O 2.8Å; P234-Y277 HydrophobicContact CB-CE1 4.48Å; P234-Y277 WeakPolarHBondContact CG-OH 3.47Å; P234-H309 WeakPolarHBondContact CG-O 3.38Å
235	E	96.4	Very high	94.1	Very high	26 Å²	26	44.6 Å²	44.6	12%	0.121	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.1	-21.2	178.5	70.5	-84.7	-147.6	0	0	113.3	A233 F237 G238 Y242 P311 R314	A233-E235 VanDerWaalsContact C-N 3.29Å; A233-E235 WeakPolarHBondContact CB-OE2 3.18Å; A233-E235 PolarHBondContact O-N 2.74Å; E235-F237 PolarHBondContact O-N 3.42Å; E235-G238 PolarHBondContact O-N 2.99Å; E235-Y242 HydrophobicContact CB-CG 4.39Å; E235-Y242 HydrophobicContact CG-CD1 4.35Å; E235-Y242 HydrophobicContact CG-CD2 3.81Å; E235-Y242 HydrophobicContact CG-CG 3.65Å; E235-P311 HydrophobicContact CB-CG 4.35Å; E235-P311 HydrophobicContact CG-CG 4.12Å; E235-R314 VanDerWaalsContact CD-NH2 3.34Å; E235-R314 IonicContact OE1-CZ 2.64Å; E235-R314 IonicContact OE1-NH1 3.39Å; E235-R314 PolarHBondContact OE1-NH1 3.05Å; E235-R314 IonicContact OE1-NH2 3.39Å; E235-R314 PolarHBondContact OE1-NH2 2.93Å; E235-R314 IonicContact OE2-CZ 3.09Å; E235-R314 IonicContact OE2-NH1 3.39Å; E235-R314 PolarHBondContact OE2-NH1 2.82Å; E235-R314 IonicContact OE2-NH2 2.77Å; E235-R314 PolarHBondContact OE2-NH2 3.4Å
236	V	96	Very high	94.6	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.9	-30.2	173.9	177.8	0	0	0	0	111	A225 V226 A232 A233 P234 Y242	A225-V236 HydrophobicContact CB-CG1 4.24Å; V226-V236 HydrophobicContact CG2-CG1 4.43Å; A232-V236 HydrophobicContact CB-CB 4.34Å; A232-V236 HydrophobicContact CB-CG1 4.25Å; A232-V236 HydrophobicContact CB-CG2 4.31Å; A233-V236 HydrophobicContact CB-CG2 4.17Å; A233-V236 WeakPolarHBondContact O-CB 3.35Å; A233-V236 WeakPolarHBondContact O-CG2 3.5Å; A233-V236 PolarHBondContact O-N 3.29Å; P234-V236 PolarHBondContact O-N 3.3Å; V236-Y242 HydrophobicContact CG2-CE2 3.91Å
237	F	94.5	Very high	94.9	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.241	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-93.2	-0.5	178.1	-49	-64	0	0	0	113.2	T229 A232 P234 E235 R268 A269	T229-F237 HydrophobicContact CG2-CE1 4.03Å; T229-F237 HydrophobicContact CG2-CZ 3.9Å; T229-F237 WeakPolarHBondContact O-CZ 3.32Å; A232-F237 HydrophobicContact CB-CE2 4.27Å; A232-F237 HydrophobicContact CB-CZ 3.81Å; P234-F237 PolarHBondContact O-N 3.09Å; E235-F237 PolarHBondContact O-N 3.42Å; F237-R268 HydrophobicContact CD1-CG 4.43Å; F237-R268 HydrophobicContact CD2-CG 3.83Å; F237-R268 HydrophobicContact CE1-CG 4.17Å; F237-R268 HydrophobicContact CE2-CG 3.53Å; F237-R268 HydrophobicContact CG-CG 4.28Å; F237-R268 HydrophobicContact CZ-CG 3.71Å; F237-A269 HydrophobicContact CE2-CB 4.48Å
238	G	91.2	Very high	95.4	Very high	41 Å²	41	41 Å²	41	42%	0.423	22%	0.223	S	C	.	.	S	Bend	trans	-75.6	166.7	175.1	0	0	0	0	0	112.5	E235	E235-G238 PolarHBondContact O-N 2.99Å
239	K	90.2	Very high	95.8	Very high	212 Å²	212	39.6 Å²	39.6	92%	0.922	21%	0.214	S	C	*	.	S	Bend	trans	-83.2	-15.6	172.6	-63.4	-175.1	-179.7	-178.6	0	113.2
240	N	95	Very high	96.2	Very high	130 Å²	130	36.7 Å²	36.7	70%	0.695	20%	0.196	S	C	*	.	S	Bend	trans	-91.8	144.5	-173.3	-64.7	-26	0	0	0	110.6
241	P	96.6	Very high	96.5	Very high	56 Å²	56	36.1 Å²	36.1	36%	0.364	19%	0.192	S	C	.	.			trans	-59.2	146.9	169	-17.1	28.8	0	0	0	111.4	L221 I222 Q223	L221-P241 HydrophobicContact CB-CB 3.82Å; L221-P241 HydrophobicContact CD1-CB 4.13Å; L221-P241 HydrophobicContact CG-CB 4.47Å; I222-P241 CarbonylContact O-C 3.57Å; I222-P241 VanDerWaalsContact O-CA 3.22Å; I222-P241 WeakPolarHBondContact O-CA 3.45Å; Q223-P241 HydrophobicContact CG-CB 3.86Å; Q223-P241 HydrophobicContact CG-CG 3.89Å
242	Y	97.8	Very high	96.7	Very high	12 Å²	12	35.9 Å²	35.9	5%	0.047	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-136.3	167	-176	60.1	-86.5	0	0	0	113	L221 I222 G224 V226 E235 V236 A247	L221-Y242 WeakPolarHBondContact CA-O 3.42Å; I222-Y242 HydrophobicContact CB-CD2 4.39Å; I222-Y242 HydrophobicContact CB-CE1 4.27Å; I222-Y242 HydrophobicContact CB-CE2 3.89Å; I222-Y242 HydrophobicContact CD1-CE2 4.24Å; I222-Y242 HydrophobicContact CG2-CE1 4.2Å; I222-Y242 HydrophobicContact CG2-CE2 4.13Å; I222-Y242 VanDerWaalsContact CG2-OH 3.32Å; I222-Y242 WeakPolarHBondContact CG2-OH 3.45Å; I222-Y242 PolarHBondContact N-O 3.47Å; I222-Y242 PolarHBondContact O-N 2.88Å; G224-Y242 PolarHBondContact O-OH 2.8Å; G224-Y242 VanDerWaalsContact O-OH 3.08Å; V226-Y242 VanDerWaalsContact CG2-OH 3.26Å; V226-Y242 WeakPolarHBondContact CG2-OH 3.33Å; E235-Y242 HydrophobicContact CB-CG 4.39Å; E235-Y242 HydrophobicContact CG-CD1 4.35Å; E235-Y242 HydrophobicContact CG-CD2 3.81Å; E235-Y242 HydrophobicContact CG-CG 3.65Å; V236-Y242 HydrophobicContact CG2-CE2 3.91Å; Y242-A247 HydrophobicContact CD2-CB 4.44Å; Y242-A247 HydrophobicContact CE2-CB 4.31Å
243	F	97.8	Very high	96.8	Very high	111 Å²	111	35.6 Å²	35.6	49%	0.487	19%	0.189	S	C	.	.			trans	-87.5	134.3	176	-67.5	-76.5	0	0	0	110.9	K220 L221 P246	K220-F243 HydrophobicContact CG-CE1 4.31Å; L221-F243 HydrophobicContact CD2-CD1 3.76Å; L221-F243 HydrophobicContact CD2-CD2 4.18Å; L221-F243 HydrophobicContact CD2-CE1 3.6Å; L221-F243 HydrophobicContact CD2-CE2 4.03Å; L221-F243 HydrophobicContact CD2-CG 4.06Å; L221-F243 HydrophobicContact CD2-CZ 3.74Å; F243-P246 HydrophobicContact CB-CG 4.19Å; F243-P246 WeakPolarHBondContact O-CD 3.5Å
244	G	97.8	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-44.4	-179.3	0	0	0	0	0	115.2	A247 D248	G244-A247 WeakPolarHBondContact O-CA 3.29Å; G244-A247 WeakPolarHBondContact O-CB 3.12Å; G244-A247 PolarHBondContact O-N 3.05Å; G244-D248 PolarHBondContact O-N 2.88Å
245	P	98.4	Very high	96.7	Very high	34 Å²	34	35.1 Å²	35.1	22%	0.221	19%	0.186	C	C	.	.	H	α-helix	trans	-56.2	-45.4	-176.2	-27.7	35.2	0	0	0	114.7	H182 L216 A247 D248 L249	H182-P245 HydrophobicContact CB-CB 4.36Å; H182-P245 HydrophobicContact CB-CG 4.44Å; L216-P245 HydrophobicContact CD1-CG 3.85Å; P245-A247 VanDerWaalsContact C-N 3.27Å; P245-A247 PolarHBondContact O-N 3.5Å; P245-D248 PolarHBondContact O-N 3.32Å; P245-L249 WeakPolarHBondContact O-CG 3.16Å; P245-L249 PolarHBondContact O-N 3.35Å
246	P	98.4	Very high	96.7	Very high	32 Å²	32	33.9 Å²	33.9	21%	0.208	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-27.9	174	-23.3	35.6	0	0	0	114.5	F243 F250 P311 R314	F243-P246 HydrophobicContact CB-CG 4.19Å; F243-P246 WeakPolarHBondContact O-CD 3.5Å; P246-F250 PolarHBondContact O-N 2.88Å; P246-P311 HydrophobicContact CB-CB 3.95Å; P246-R314 PolarHBondContact O-NH1 2.93Å
247	A	98.3	Very high	96.6	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-42.6	176.4	0	0	0	0	0	110.9	A233 Y242 G244 P245 L249 F250 S251	A233-A247 HydrophobicContact CB-CB 3.86Å; Y242-A247 HydrophobicContact CD2-CB 4.44Å; Y242-A247 HydrophobicContact CE2-CB 4.31Å; G244-A247 WeakPolarHBondContact O-CA 3.29Å; G244-A247 WeakPolarHBondContact O-CB 3.12Å; G244-A247 PolarHBondContact O-N 3.05Å; P245-A247 VanDerWaalsContact C-N 3.27Å; P245-A247 PolarHBondContact O-N 3.5Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.34Å; A247-F250 WeakPolarHBondContact O-CB 3.48Å; A247-F250 PolarHBondContact O-N 3.44Å; A247-S251 PolarHBondContact O-N 3.45Å; A247-S251 PolarHBondContact O-OG 3.35Å; A247-S251 VanDerWaalsContact O-OG 3.11Å
248	D	98.7	Very high	96.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-41.9	173.9	-80.8	-23.3	0	0	0	112.4	L178 H182 A188 H189 L190 G244 P245 F250 S251 L252	L178-D248 HydrophobicContact CD1-CB 4.23Å; L178-D248 HydrophobicContact CD2-CB 4.13Å; H182-D248 IonicContact CD2-OD2 2.73Å; H182-D248 IonicContact CE1-OD2 2.79Å; H182-D248 IonicContact NE2-OD2 3.18Å; H182-D248 PolarHBondContact NE2-OD2 3.43Å; A188-D248 WeakPolarHBondContact CA-OD2 3.36Å; H189-D248 PolarHBondContact N-OD2 2.84Å; L190-D248 VanDerWaalsContact CA-OD1 3.3Å; L190-D248 WeakPolarHBondContact CA-OD1 3.31Å; L190-D248 PolarHBondContact N-OD1 3.21Å; G244-D248 PolarHBondContact O-N 2.88Å; P245-D248 PolarHBondContact O-N 3.32Å; D248-F250 VanDerWaalsContact C-N 3.34Å; D248-S251 PolarHBondContact O-N 3.03Å; D248-L252 WeakPolarHBondContact O-CB 3.44Å; D248-L252 PolarHBondContact O-N 2.84Å
249	L	98.7	Very high	96.4	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.063	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-34.9	178.8	-63.6	-179.9	0	0	0	112.5	L175 L178 P245 A247 G253 L315 I317 I320	L175-L249 HydrophobicContact CD1-CD2 4Å; L178-L249 HydrophobicContact CD1-CD2 4.13Å; P245-L249 WeakPolarHBondContact O-CG 3.16Å; P245-L249 PolarHBondContact O-N 3.35Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.34Å; L249-G253 PolarHBondContact O-N 2.99Å; L249-L315 VanDerWaalsContact CD1-O 3.28Å; L249-L315 WeakPolarHBondContact CD1-O 3.48Å; L249-I317 HydrophobicContact CD1-CG1 4.02Å; L249-I317 HydrophobicContact CD2-CD1 4.39Å; L249-I317 HydrophobicContact CD2-CG1 3.82Å; L249-I320 HydrophobicContact CD1-CD1 4.38Å; L249-I320 HydrophobicContact CD2-CD1 4.11Å
250	F	98.4	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.2	-50.1	171.4	-176.1	-83.2	0	0	0	110.5	A233 P246 A247 D248 L252 G253 V254 W266 A269 Y277 L307	A233-F250 VanDerWaalsContact CA-CD1 3.42Å; A233-F250 HydrophobicContact CB-CB 3.78Å; A233-F250 HydrophobicContact CB-CD1 3.8Å; A233-F250 HydrophobicContact CB-CG 3.82Å; P246-F250 PolarHBondContact O-N 2.88Å; A247-F250 WeakPolarHBondContact O-CB 3.48Å; A247-F250 PolarHBondContact O-N 3.44Å; D248-F250 VanDerWaalsContact C-N 3.34Å; F250-L252 VanDerWaalsContact C-N 3.29Å; F250-L252 PolarHBondContact O-N 3.31Å; F250-G253 CarbonylContact O-C 3.48Å; F250-G253 WeakPolarHBondContact O-CA 3.33Å; F250-G253 PolarHBondContact O-N 2.86Å; F250-V254 HydrophobicContact CD1-CG2 3.84Å; F250-V254 HydrophobicContact CE1-CG2 3.5Å; F250-V254 VanDerWaalsContact CE1-CG2 3.5Å; F250-V254 HydrophobicContact CZ-CG2 4.16Å; F250-V254 PolarHBondContact O-N 3.34Å; F250-W266 HydrophobicContact CE1-CZ2 4.15Å; F250-W266 HydrophobicContact CZ-CH2 4.46Å; F250-W266 AromaticContact CZ-CZ2 3.7Å; F250-W266 HydrophobicContact CZ-CZ2 3.7Å; F250-A269 HydrophobicContact CE1-CB 3.94Å; F250-A269 HydrophobicContact CZ-CB 3.83Å; F250-Y277 HydrophobicContact CZ-CE2 4.07Å; F250-L307 HydrophobicContact CD1-CD2 4.43Å; F250-L307 HydrophobicContact CD2-CD2 3.94Å; F250-L307 HydrophobicContact CE1-CD2 4.46Å; F250-L307 HydrophobicContact CE2-CB 4.15Å; F250-L307 HydrophobicContact CE2-CD2 3.96Å; F250-L307 HydrophobicContact CG-CD2 4.19Å; F250-L307 HydrophobicContact CZ-CD2 4.23Å; F250-L307 WeakPolarHBondContact O-CD2 3.49Å
251	S	98.5	Very high	96	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.035	8%	0.077	C	C	.	.	H	α-helix	trans	-59.1	-38.5	178.4	-56.1	0	0	0	0	112.5	V192 Y231 A247 D248 V254 T255	V192-S251 WeakPolarHBondContact O-CB 3.16Å; Y231-S251 WeakPolarHBondContact O-CA 3.27Å; Y231-S251 PolarHBondContact O-OG 3.08Å; A247-S251 PolarHBondContact O-N 3.45Å; A247-S251 PolarHBondContact O-OG 3.35Å; A247-S251 VanDerWaalsContact O-OG 3.11Å; D248-S251 PolarHBondContact O-N 3.03Å; S251-V254 PolarHBondContact O-N 3.35Å; S251-T255 WeakPolarHBondContact O-CB 3.5Å; S251-T255 PolarHBondContact O-N 3.04Å; S251-T255 PolarHBondContact O-OG1 3.01Å
252	L	98.6	Very high	95.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-35.8	172.6	-178	58.5	0	0	0	112.3	Y171 I174 L175 L178 V192 D248 F250 T255 L256	Y171-L252 HydrophobicContact CD2-CD1 3.98Å; Y171-L252 HydrophobicContact CD2-CD2 4.34Å; Y171-L252 HydrophobicContact CD2-CG 3.95Å; Y171-L252 HydrophobicContact CE2-CD1 4.07Å; Y171-L252 HydrophobicContact CE2-CD2 3.88Å; Y171-L252 HydrophobicContact CE2-CG 3.51Å; I174-L252 HydrophobicContact CB-CD1 4.11Å; I174-L252 HydrophobicContact CG2-CD1 3.75Å; I174-L252 HydrophobicContact CG2-CD2 4.45Å; L175-L252 HydrophobicContact CB-CD2 4.17Å; L175-L252 HydrophobicContact CD1-CD2 4.12Å; L178-L252 HydrophobicContact CD1-CB 4.18Å; L178-L252 HydrophobicContact CD1-CD2 3.75Å; V192-L252 HydrophobicContact CG1-CB 4.17Å; V192-L252 HydrophobicContact CG1-CD1 4.21Å; D248-L252 WeakPolarHBondContact O-CB 3.44Å; D248-L252 PolarHBondContact O-N 2.84Å; F250-L252 VanDerWaalsContact C-N 3.29Å; F250-L252 PolarHBondContact O-N 3.31Å; L252-T255 WeakPolarHBondContact O-CB 2.94Å; L252-T255 PolarHBondContact O-N 3.47Å; L252-L256 PolarHBondContact O-N 3.4Å
253	G	97.7	Very high	94.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-42.5	171.6	0	0	0	0	0	112.7	L249 F250 T255 L256 L257	L249-G253 PolarHBondContact O-N 2.99Å; F250-G253 CarbonylContact O-C 3.48Å; F250-G253 WeakPolarHBondContact O-CA 3.33Å; F250-G253 PolarHBondContact O-N 2.86Å; G253-T255 VanDerWaalsContact C-N 3.32Å; G253-L256 WeakPolarHBondContact O-CB 3.34Å; G253-L256 PolarHBondContact O-N 3.32Å; G253-L257 PolarHBondContact O-N 3.15Å
254	V	96	Very high	93.9	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-67.7	-38.2	177	-177.9	0	0	0	0	110.2	Y231 F250 S251 L257 T258 W266 L307	Y231-V254 HydrophobicContact CD1-CB 4.06Å; Y231-V254 HydrophobicContact CD1-CG1 3.62Å; Y231-V254 HydrophobicContact CE1-CG1 4.17Å; Y231-V254 HydrophobicContact CG-CG1 4.4Å; F250-V254 HydrophobicContact CD1-CG2 3.84Å; F250-V254 HydrophobicContact CE1-CG2 3.5Å; F250-V254 VanDerWaalsContact CE1-CG2 3.5Å; F250-V254 HydrophobicContact CZ-CG2 4.16Å; F250-V254 PolarHBondContact O-N 3.34Å; S251-V254 PolarHBondContact O-N 3.35Å; V254-L257 PolarHBondContact O-N 2.99Å; V254-T258 VanDerWaalsContact O-CB 3.23Å; V254-T258 WeakPolarHBondContact O-CB 3.5Å; V254-T258 PolarHBondContact O-N 3.36Å; V254-T258 PolarHBondContact O-OG1 3.3Å; V254-W266 HydrophobicContact CG2-CZ2 3.7Å; V254-L307 HydrophobicContact CG2-CD2 3.67Å
255	T	96.7	Very high	93.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.2	-47.8	172.1	-64	0	0	0	0	111.5	M167 K193 P194 I197 S251 L252 G253 T258 A259	M167-T255 HydrophobicContact CE-CG2 4.46Å; K193-T255 WeakPolarHBondContact CA-OG1 3.41Å; P194-T255 HydrophobicContact CG-CG2 4.02Å; I197-T255 HydrophobicContact CD1-CG2 3.77Å; S251-T255 WeakPolarHBondContact O-CB 3.5Å; S251-T255 PolarHBondContact O-N 3.04Å; S251-T255 PolarHBondContact O-OG1 3.01Å; L252-T255 WeakPolarHBondContact O-CB 2.94Å; L252-T255 PolarHBondContact O-N 3.47Å; G253-T255 VanDerWaalsContact C-N 3.32Å; T255-T258 PolarHBondContact O-N 3.27Å; T255-A259 WeakPolarHBondContact O-CB 3.43Å; T255-A259 PolarHBondContact O-N 2.96Å
256	L	96.3	Very high	92.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.2	-52.1	176.2	175.7	57.4	0	0	0	111.5	M167 Y171 L252 G253 T258 A259 V260 L299 F302 L303 W325	M167-L256 HydrophobicContact CB-CD1 4.4Å; M167-L256 HydrophobicContact CG-CD1 3.54Å; Y171-L256 HydrophobicContact CD2-CB 3.82Å; Y171-L256 HydrophobicContact CD2-CD1 4.21Å; Y171-L256 HydrophobicContact CD2-CD2 3.82Å; Y171-L256 HydrophobicContact CD2-CG 4.17Å; Y171-L256 HydrophobicContact CE2-CB 4Å; Y171-L256 HydrophobicContact CE2-CD2 3.79Å; Y171-L256 HydrophobicContact CE2-CG 4.45Å; Y171-L256 HydrophobicContact CG-CD2 4.49Å; L252-L256 PolarHBondContact O-N 3.4Å; G253-L256 WeakPolarHBondContact O-CB 3.34Å; G253-L256 PolarHBondContact O-N 3.32Å; L256-T258 PolarHBondContact O-N 2.93Å; L256-A259 PolarHBondContact O-N 3.28Å; L256-V260 HydrophobicContact CD1-CG1 4Å; L256-V260 WeakPolarHBondContact O-CG1 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.45Å; L256-V260 PolarHBondContact O-N 3.25Å; L256-L299 HydrophobicContact CD2-CD1 3.71Å; L256-L299 HydrophobicContact CG-CD1 4.21Å; L256-F302 HydrophobicContact CD2-CD1 4.04Å; L256-F302 HydrophobicContact CD2-CE1 3.72Å; L256-L303 HydrophobicContact CD2-CD2 4.08Å; L256-L303 HydrophobicContact CG-CD2 4.41Å; L256-W325 HydrophobicContact CD1-CH2 4.21Å; L256-W325 HydrophobicContact CD1-CZ2 4.33Å; L256-W325 HydrophobicContact CD2-CH2 3.46Å; L256-W325 VanDerWaalsContact CD2-CH2 3.46Å; L256-W325 HydrophobicContact CD2-CZ2 3.97Å; L256-W325 HydrophobicContact CD2-CZ3 4.05Å
257	L	92.4	Very high	92	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.4	-43.3	-178.3	-179.9	53.9	0	0	0	112.1	G253 V254 A259 V260 T261 C265 V291 F292 L295 L303 L307	G253-L257 PolarHBondContact O-N 3.15Å; V254-L257 PolarHBondContact O-N 2.99Å; L257-A259 VanDerWaalsContact C-N 3.34Å; L257-A259 PolarHBondContact O-N 3.28Å; L257-V260 WeakPolarHBondContact O-CG2 3.34Å; L257-T261 HydrophobicContact CD1-CG2 3.89Å; L257-T261 WeakPolarHBondContact O-CB 3.33Å; L257-T261 WeakPolarHBondContact O-CG2 3.5Å; L257-T261 PolarHBondContact O-N 2.67Å; L257-T261 PolarHBondContact O-OG1 3.38Å; L257-C265 HydrophobicContact CD2-CB 4.06Å; L257-C265 WeakPolarHBondContact CD2-SG 3.41Å; L257-C265 WeakPolarHBondContact CG-SG 3.25Å; L257-V291 HydrophobicContact CD1-CG1 4.01Å; L257-V291 HydrophobicContact CG-CG1 4.23Å; L257-F292 HydrophobicContact CD1-CD1 4.35Å; L257-F292 HydrophobicContact CD1-CE1 4.36Å; L257-F292 HydrophobicContact CD2-CD1 4.08Å; L257-F292 HydrophobicContact CD2-CE1 3.3Å; L257-F292 HydrophobicContact CD2-CZ 3.78Å; L257-F292 HydrophobicContact CG-CE1 4.47Å; L257-L295 HydrophobicContact CD1-CD1 3.68Å; L257-L295 HydrophobicContact CD1-CD2 3.96Å; L257-L295 HydrophobicContact CD1-CG 4.34Å; L257-L303 HydrophobicContact CB-CD1 4.26Å; L257-L303 HydrophobicContact CB-CD2 4.35Å; L257-L303 HydrophobicContact CD1-CD1 3.97Å; L257-L307 HydrophobicContact CD2-CD1 4.01Å
258	T	90.2	Very high	91.7	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.049	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-41.5	178.3	-57.5	0	0	0	0	110.7	Y231 V254 T255 L256 G262 Q263	Y231-T258 HydrophobicContact CE1-CG2 4.32Å; V254-T258 VanDerWaalsContact O-CB 3.23Å; V254-T258 WeakPolarHBondContact O-CB 3.5Å; V254-T258 PolarHBondContact O-N 3.36Å; V254-T258 PolarHBondContact O-OG1 3.3Å; T255-T258 PolarHBondContact O-N 3.27Å; L256-T258 PolarHBondContact O-N 2.93Å; T258-G262 WeakPolarHBondContact O-CA 2.75Å; T258-G262 PolarHBondContact O-N 3.31Å; T258-Q263 WeakPolarHBondContact CA-O 3.26Å
259	A	91.1	Very high	91.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.6	-40.3	-179.6	0	0	0	0	0	113.2	I156 G161 L162 M167 T255 L256 L257	I156-A259 HydrophobicContact CD1-CB 3.69Å; I156-A259 HydrophobicContact CG1-CB 4.07Å; G161-A259 CarbonylContact C-O 3.54Å; G161-A259 VanDerWaalsContact CA-O 3.24Å; G161-A259 WeakPolarHBondContact CA-O 3.28Å; L162-A259 HydrophobicContact CD1-CB 4.45Å; L162-A259 PolarHBondContact N-O 3.5Å; M167-A259 HydrophobicContact CE-CB 4.21Å; M167-A259 HydrophobicContact CG-CB 3.88Å; M167-A259 HydrophobicContact SD-CB 3.39Å; M167-A259 WeakPolarHBondContact SD-CB 3.32Å; T255-A259 WeakPolarHBondContact O-CB 3.43Å; T255-A259 PolarHBondContact O-N 2.96Å; L256-A259 PolarHBondContact O-N 3.28Å; L257-A259 VanDerWaalsContact C-N 3.34Å; L257-A259 PolarHBondContact O-N 3.28Å
260	V	91.3	Very high	91.1	Very high	14 Å²	14	16.1 Å²	16.1	9%	0.085	8%	0.083	C	C	.	.	H	α-helix	trans	-79.5	-17.8	-179.2	-59.1	0	0	0	0	113.9	V164 M167 L256 L257 L295 L299	V164-V260 HydrophobicContact CG2-CB 4.41Å; V164-V260 HydrophobicContact CG2-CG1 4.21Å; M167-V260 HydrophobicContact CB-CG1 3.81Å; M167-V260 HydrophobicContact CG-CG1 3.87Å; L256-V260 HydrophobicContact CD1-CG1 4Å; L256-V260 WeakPolarHBondContact O-CG1 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.45Å; L256-V260 PolarHBondContact O-N 3.25Å; L257-V260 WeakPolarHBondContact O-CG2 3.34Å; V260-L295 HydrophobicContact CG2-CD2 3.61Å; V260-L299 HydrophobicContact CG1-CD2 4.42Å; V260-L299 HydrophobicContact CG2-CD2 4.15Å
261	T	86	Confident	90.7	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	10%	0.1	C	C	.	.	H	α-helix	trans	-105.3	-20.9	179	60.3	0	0	0	0	113.2	G159 I160 L257 Q263 V291 L295	G159-T261 CarbonylContact C-O 3.55Å; I160-T261 CarbonylContact C-O 3.4Å; I160-T261 PolarHBondContact N-O 3Å; L257-T261 HydrophobicContact CD1-CG2 3.89Å; L257-T261 WeakPolarHBondContact O-CB 3.33Å; L257-T261 WeakPolarHBondContact O-CG2 3.5Å; L257-T261 PolarHBondContact O-N 2.67Å; L257-T261 PolarHBondContact O-OG1 3.38Å; T261-Q263 PolarHBondContact O-N 3.03Å; T261-Q263 PolarHBondContact OG1-N 3.14Å; T261-Q263 PolarHBondContact OG1-O 3.14Å; T261-V291 HydrophobicContact CG2-CG1 3.84Å; T261-L295 HydrophobicContact CG2-CD2 4.02Å
262	G	83.6	Confident	90.3	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	20.3	-171.7	0	0	0	0	0	113.2	G159 T258	G159-G262 PolarHBondContact N-O 2.95Å; T258-G262 WeakPolarHBondContact O-CA 2.75Å; T258-G262 PolarHBondContact O-N 3.31Å
263	Q	82.3	Confident	89.8	Confident	48 Å²	48	29.8 Å²	29.8	22%	0.224	16%	0.158	C	C	.	.	S	Bend	trans	-134.1	152.6	-175.1	-66	-175.2	-27.8	0	0	110.7	T258 T261 V291	T258-Q263 WeakPolarHBondContact CA-O 3.26Å; T261-Q263 PolarHBondContact O-N 3.03Å; T261-Q263 PolarHBondContact OG1-N 3.14Å; T261-Q263 PolarHBondContact OG1-O 3.14Å; Q263-V291 HydrophobicContact CB-CG2 4.29Å
264	R	81.9	Confident	89.5	Confident	48 Å²	48	30.2 Å²	30.2	18%	0.181	16%	0.161	C	C	.	.			trans	-77.7	139.9	168.8	-73.4	-166	-175.1	106.9	9.7	110.9	D502 L504	R264-D502 IonicContact CZ-OD1 3.32Å; R264-D502 IonicContact CZ-OD2 3.45Å; R264-D502 IonicContact NE-OD1 3.1Å; R264-D502 IonicContact NH1-OD1 2.78Å; R264-D502 PolarHBondContact NH1-OD1 3.16Å; R264-D502 IonicContact NH1-OD2 3.6Å; R264-D502 PolarHBondContact NH1-OD2 3.42Å; R264-D502 IonicContact NH2-OD1 3.48Å; R264-D502 PolarHBondContact NH2-OD1 3.12Å; R264-D502 IonicContact NH2-OD2 2.67Å; R264-D502 PolarHBondContact NH2-OD2 2.74Å; R264-L504 HydrophobicContact CB-CD2 4.43Å; R264-L504 HydrophobicContact CG-CD2 3.86Å; R264-L504 VanDerWaalsContact CZ-CB 3.48Å; R264-L504 VanDerWaalsContact NH2-CB 3.3Å
265	C	82.2	Confident	89.1	Confident	6 Å²	6	35 Å²	35	4%	0.041	19%	0.192	C	C	.	.	S	Bend	trans	-78.6	-40.4	-179.7	-43.3	0	0	0	0	111.4	L257 V276	L257-C265 HydrophobicContact CD2-CB 4.06Å; L257-C265 WeakPolarHBondContact CD2-SG 3.41Å; L257-C265 WeakPolarHBondContact CG-SG 3.25Å; C265-V276 WeakPolarHBondContact O-CG1 3.16Å
266	W	87.5	Confident	88.6	Confident	10 Å²	10	38 Å²	38	4%	0.038	21%	0.21	C	C	.	.			trans	-161.7	162.6	-177.8	41.1	72.6	0	0	0	109.4	S230 F250 V254 D274 Y277 W280 F292 L307	S230-W266 PolarHBondContact O-NE1 2.64Å; F250-W266 HydrophobicContact CE1-CZ2 4.15Å; F250-W266 HydrophobicContact CZ-CH2 4.46Å; F250-W266 AromaticContact CZ-CZ2 3.7Å; F250-W266 HydrophobicContact CZ-CZ2 3.7Å; V254-W266 HydrophobicContact CG2-CZ2 3.7Å; W266-D274 WeakPolarHBondContact CB-OD2 3.34Å; W266-Y277 AromaticContact CD2-CD2 3.69Å; W266-Y277 HydrophobicContact CD2-CD2 3.69Å; W266-Y277 AromaticContact CE2-CD2 3.86Å; W266-Y277 AromaticContact CE3-CD2 3.76Å; W266-Y277 HydrophobicContact CE3-CD2 3.76Å; W266-Y277 HydrophobicContact CG-CD2 4.23Å; W266-Y277 HydrophobicContact CH2-CD2 4.09Å; W266-Y277 HydrophobicContact CH2-CE2 4.19Å; W266-Y277 HydrophobicContact CZ2-CD2 4.07Å; W266-Y277 HydrophobicContact CZ2-CE2 4.11Å; W266-Y277 AromaticContact CZ3-CD2 3.94Å; W266-Y277 HydrophobicContact CZ3-CD2 3.94Å; W266-Y277 HydrophobicContact CZ3-CE2 4.45Å; W266-W280 HydrophobicContact CZ3-CB 4.35Å; W266-W280 HydrophobicContact CZ3-CD2 4.44Å; W266-W280 HydrophobicContact CZ3-CG 4.01Å; W266-F292 HydrophobicContact CZ3-CZ 4Å; W266-L307 HydrophobicContact CH2-CD1 4.03Å
267	S	86.3	Confident	88.3	Confident	72 Å²	72	38 Å²	38	50%	0.503	21%	0.21	S	C	.	.	S	Bend	trans	-76.3	-36.2	173.3	66.3	0	0	0	0	111.7	S230 D274	S230-S267 WeakPolarHBondContact CA-O 3.49Å; S267-D274 WeakPolarHBondContact CB-OD2 3.49Å; S267-D274 PolarHBondContact N-OD2 3.14Å; S267-D274 PolarHBondContact OG-OD2 3.28Å
268	R	90.7	Very high	88.2	Confident	101 Å²	101	43.6 Å²	43.6	38%	0.381	23%	0.231	S	C	.	.	S	Bend	trans	-153.4	135.7	-179.1	177.7	179.1	-79.6	175.5	-4.8	109	T229 F237 S270 D274	T229-R268 HydrophobicContact CG2-CB 3.91Å; T229-R268 HydrophobicContact CG2-CG 4.03Å; F237-R268 HydrophobicContact CD1-CG 4.43Å; F237-R268 HydrophobicContact CD2-CG 3.83Å; F237-R268 HydrophobicContact CE1-CG 4.17Å; F237-R268 HydrophobicContact CE2-CG 3.53Å; F237-R268 HydrophobicContact CG-CG 4.28Å; F237-R268 HydrophobicContact CZ-CG 3.71Å; R268-S270 PolarHBondContact O-N 2.95Å; R268-D274 PolarHBondContact N-OD2 2.89Å; R268-D274 WeakPolarHBondContact O-CB 3.25Å
269	A	93.2	Very high	88	Confident	1 Å²	1	47 Å²	47	1%	0.008	25%	0.247	C	C	.	.	S	Bend	trans	-72.4	70.2	172.6	0	0	0	0	0	111.3	A232 P234 F237 F250 Y277	A232-A269 WeakPolarHBondContact O-CB 3.49Å; P234-A269 VanDerWaalsContact CA-O 3.23Å; P234-A269 WeakPolarHBondContact CA-O 3.09Å; P234-A269 HydrophobicContact CB-CB 4.4Å; P234-A269 VanDerWaalsContact CB-O 3.29Å; P234-A269 WeakPolarHBondContact CB-O 2.8Å; F237-A269 HydrophobicContact CE2-CB 4.48Å; F250-A269 HydrophobicContact CE1-CB 3.94Å; F250-A269 HydrophobicContact CZ-CB 3.83Å; A269-Y277 HydrophobicContact CB-CD2 3.92Å; A269-Y277 HydrophobicContact CB-CE1 4.46Å; A269-Y277 HydrophobicContact CB-CE2 3.6Å; A269-Y277 HydrophobicContact CB-CG 4.47Å
270	S	92.2	Very high	87.8	Confident	18 Å²	18	47.5 Å²	47.5	13%	0.126	25%	0.249	C	C	.	.			trans	-136.4	120.7	-175.1	167	0	0	0	0	110.8	R268 T272 S273 D274 Y277	R268-S270 PolarHBondContact O-N 2.95Å; S270-T272 PolarHBondContact O-N 2.7Å; S270-T272 PolarHBondContact OG-OG1 3.49Å; S270-S273 WeakPolarHBondContact CB-OG 3.49Å; S270-S273 PolarHBondContact O-N 3.45Å; S270-S273 PolarHBondContact OG-N 2.83Å; S270-S273 PolarHBondContact OG-OG 3.11Å; S270-D274 PolarHBondContact O-N 3.29Å; S270-D274 VanDerWaalsContact O-N 3.1Å; S270-Y277 VanDerWaalsContact C-CD1 3.41Å; S270-Y277 VanDerWaalsContact N-CD1 3.26Å
271	Y	89.1	Confident	87.6	Confident	96 Å²	96	48.4 Å²	48.4	38%	0.376	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	-179.2	-179.1	-89.2	0	0	0	112.8	R278 T281 E282	Y271-R278 HydrophobicContact CD2-CG 4.11Å; Y271-R278 HydrophobicContact CE2-CG 3.89Å; Y271-R278 WeakPolarHBondContact O-CB 3.46Å; Y271-T281 VanDerWaalsContact CD2-OG1 3.22Å; Y271-T281 WeakPolarHBondContact CD2-OG1 3.38Å; Y271-E282 HydrophobicContact CE2-CG 4Å; Y271-E282 PolarHBondContact OH-OE1 3.46Å
272	T	90.5	Very high	87.6	Confident	130 Å²	130	52.4 Å²	52.4	80%	0.798	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-25.8	-173.6	52.9	0	0	0	0	113.5	S270	S270-T272 PolarHBondContact O-N 2.7Å; S270-T272 PolarHBondContact OG-OG1 3.49Å
273	S	89.6	Confident	87.2	Confident	65 Å²	65	58.1 Å²	58.1	46%	0.455	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-17.9	-170.8	69	0	0	0	0	114.8	S270	S270-S273 WeakPolarHBondContact CB-OG 3.49Å; S270-S273 PolarHBondContact O-N 3.45Å; S270-S273 PolarHBondContact OG-N 2.83Å; S270-S273 PolarHBondContact OG-OG 3.11Å
274	D	90.1	Very high	86.5	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.053	32%	0.315	C	S	.	.			trans	-122.3	113.2	-178.9	-170	-62	0	0	0	110.3	W266 S267 R268 S270 V276 Y277 R278	W266-D274 WeakPolarHBondContact CB-OD2 3.34Å; S267-D274 WeakPolarHBondContact CB-OD2 3.49Å; S267-D274 PolarHBondContact N-OD2 3.14Å; S267-D274 PolarHBondContact OG-OD2 3.28Å; R268-D274 PolarHBondContact N-OD2 2.89Å; R268-D274 WeakPolarHBondContact O-CB 3.25Å; S270-D274 PolarHBondContact O-N 3.29Å; S270-D274 VanDerWaalsContact O-N 3.1Å; D274-V276 VanDerWaalsContact C-N 3.31Å; D274-V276 PolarHBondContact O-N 2.9Å; D274-V276 WeakPolarHBondContact OD1-CB 3.36Å; D274-V276 PolarHBondContact OD1-N 2.97Å; D274-Y277 PolarHBondContact O-N 3Å; D274-Y277 PolarHBondContact OD1-N 3.17Å; D274-R278 WeakPolarHBondContact O-CB 3.16Å; D274-R278 PolarHBondContact O-N 3.2Å
275	P	87.8	Confident	85.4	Confident	101 Å²	101	62.3 Å²	62.3	66%	0.656	32%	0.319	S	S	*	.	H	α-helix	trans	-66.8	-30.8	-175.5	26.1	-33.8	0	0	0	112.9	R278 Q279	P275-R278 PolarHBondContact O-N 2.82Å; P275-Q279 WeakPolarHBondContact O-CB 3.24Å; P275-Q279 PolarHBondContact O-N 3.03Å
276	V	86.6	Confident	84.4	Confident	64 Å²	64	62.7 Å²	62.7	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-71.1	-43.3	178.2	-176.5	0	0	0	0	109.7	C265 D274 R278 Q279 W280	C265-V276 WeakPolarHBondContact O-CG1 3.16Å; D274-V276 VanDerWaalsContact C-N 3.31Å; D274-V276 PolarHBondContact O-N 2.9Å; D274-V276 WeakPolarHBondContact OD1-CB 3.36Å; D274-V276 PolarHBondContact OD1-N 2.97Å; V276-R278 VanDerWaalsContact C-N 3.34Å; V276-Q279 PolarHBondContact O-N 2.95Å; V276-W280 PolarHBondContact O-N 3.2Å
277	Y	90.2	Very high	82.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.4	-39.4	173.9	-171.8	-98.6	0	0	0	112.1	P234 F250 W266 A269 S270 D274 W280 T281 H309	P234-Y277 HydrophobicContact CB-CE1 4.48Å; P234-Y277 WeakPolarHBondContact CG-OH 3.47Å; F250-Y277 HydrophobicContact CZ-CE2 4.07Å; W266-Y277 AromaticContact CD2-CD2 3.69Å; W266-Y277 HydrophobicContact CD2-CD2 3.69Å; W266-Y277 AromaticContact CE2-CD2 3.86Å; W266-Y277 AromaticContact CE3-CD2 3.76Å; W266-Y277 HydrophobicContact CE3-CD2 3.76Å; W266-Y277 HydrophobicContact CG-CD2 4.23Å; W266-Y277 HydrophobicContact CH2-CD2 4.09Å; W266-Y277 HydrophobicContact CH2-CE2 4.19Å; W266-Y277 HydrophobicContact CZ2-CD2 4.07Å; W266-Y277 HydrophobicContact CZ2-CE2 4.11Å; W266-Y277 AromaticContact CZ3-CD2 3.94Å; W266-Y277 HydrophobicContact CZ3-CD2 3.94Å; W266-Y277 HydrophobicContact CZ3-CE2 4.45Å; A269-Y277 HydrophobicContact CB-CD2 3.92Å; A269-Y277 HydrophobicContact CB-CE1 4.46Å; A269-Y277 HydrophobicContact CB-CE2 3.6Å; A269-Y277 HydrophobicContact CB-CG 4.47Å; S270-Y277 VanDerWaalsContact C-CD1 3.41Å; S270-Y277 VanDerWaalsContact N-CD1 3.26Å; D274-Y277 PolarHBondContact O-N 3Å; D274-Y277 PolarHBondContact OD1-N 3.17Å; Y277-W280 WeakPolarHBondContact O-CB 3.44Å; Y277-W280 PolarHBondContact O-N 2.97Å; Y277-T281 HydrophobicContact CD1-CG2 3.96Å; Y277-T281 HydrophobicContact CE1-CG2 3.49Å; Y277-T281 VanDerWaalsContact CE1-CG2 3.49Å; Y277-T281 HydrophobicContact CE2-CG2 4.43Å; Y277-T281 WeakPolarHBondContact O-CG2 3.45Å; Y277-T281 PolarHBondContact O-N 3.14Å; Y277-T281 PolarHBondContact O-OG1 3.13Å; Y277-H309 AromaticContact CE1-ND1 3.57Å; Y277-H309 AromaticContact CZ-ND1 3.66Å; Y277-H309 PolarHBondContact OH-ND1 3.13Å
278	R	89.5	Confident	81.5	Confident	117 Å²	117	68.5 Å²	68.5	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-49.7	174.4	-174.3	176.9	172.8	-178.7	-5.1	111.4	Y271 D274 P275 V276 W280 T281 E282	Y271-R278 HydrophobicContact CD2-CG 4.11Å; Y271-R278 HydrophobicContact CE2-CG 3.89Å; Y271-R278 WeakPolarHBondContact O-CB 3.46Å; D274-R278 WeakPolarHBondContact O-CB 3.16Å; D274-R278 PolarHBondContact O-N 3.2Å; P275-R278 PolarHBondContact O-N 2.82Å; V276-R278 VanDerWaalsContact C-N 3.34Å; R278-W280 VanDerWaalsContact C-N 3.31Å; R278-W280 PolarHBondContact O-N 3.4Å; R278-T281 PolarHBondContact O-N 2.95Å; R278-T281 VanDerWaalsContact O-N 3.08Å; R278-T281 PolarHBondContact O-OG1 2.93Å; R278-E282 HydrophobicContact CG-CG 4.35Å; R278-E282 IonicContact CZ-OE1 2.79Å; R278-E282 IonicContact NE-OE1 3.27Å; R278-E282 PolarHBondContact NE-OE1 2.81Å; R278-E282 IonicContact NH2-OE1 3.69Å; R278-E282 PolarHBondContact NH2-OE1 3.29Å; R278-E282 VanDerWaalsContact NH2-OE1 3.09Å; R278-E282 WeakPolarHBondContact O-CG 3.35Å; R278-E282 PolarHBondContact O-N 3.14Å
279	Q	86.7	Confident	80.1	Confident	80 Å²	80	65.4 Å²	65.4	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-43.6	175.7	-173.7	-177.3	7	0	0	111.9	P275 V276 T281 E282 H283	P275-Q279 WeakPolarHBondContact O-CB 3.24Å; P275-Q279 PolarHBondContact O-N 3.03Å; V276-Q279 PolarHBondContact O-N 2.95Å; Q279-T281 VanDerWaalsContact C-N 3.31Å; Q279-T281 PolarHBondContact O-N 3.35Å; Q279-E282 PolarHBondContact O-N 3.04Å; Q279-H283 PolarHBondContact O-N 3.44Å
280	W	86.3	Confident	78.5	Confident	11 Å²	11	69.6 Å²	69.6	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-56.1	-44.5	174.3	169.8	-106.9	0	0	0	112	W266 V276 Y277 R278 K284 L286 F292 T304 L307	W266-W280 HydrophobicContact CZ3-CB 4.35Å; W266-W280 HydrophobicContact CZ3-CD2 4.44Å; W266-W280 HydrophobicContact CZ3-CG 4.01Å; V276-W280 PolarHBondContact O-N 3.2Å; Y277-W280 WeakPolarHBondContact O-CB 3.44Å; Y277-W280 PolarHBondContact O-N 2.97Å; R278-W280 VanDerWaalsContact C-N 3.31Å; R278-W280 PolarHBondContact O-N 3.4Å; W280-K284 WeakPolarHBondContact O-CA 3.39Å; W280-K284 PolarHBondContact O-N 3.12Å; W280-L286 HydrophobicContact CH2-CD2 3.75Å; W280-L286 HydrophobicContact CH2-CG 4.4Å; W280-L286 HydrophobicContact CZ3-CD2 3.53Å; W280-L286 HydrophobicContact CZ3-CG 4.03Å; W280-F292 HydrophobicContact CD2-CE1 4.36Å; W280-F292 HydrophobicContact CD2-CZ 4.02Å; W280-F292 HydrophobicContact CE3-CD1 4.26Å; W280-F292 HydrophobicContact CE3-CD2 4.5Å; W280-F292 AromaticContact CE3-CE1 3.63Å; W280-F292 HydrophobicContact CE3-CE1 3.63Å; W280-F292 AromaticContact CE3-CE2 3.96Å; W280-F292 HydrophobicContact CE3-CE2 3.96Å; W280-F292 AromaticContact CE3-CZ 3.48Å; W280-F292 HydrophobicContact CE3-CZ 3.48Å; W280-F292 VanDerWaalsContact CE3-CZ 3.48Å; W280-F292 HydrophobicContact CH2-CE1 4.01Å; W280-F292 AromaticContact CZ3-CD1 3.82Å; W280-F292 HydrophobicContact CZ3-CD1 3.82Å; W280-F292 AromaticContact CZ3-CE1 3.43Å; W280-F292 HydrophobicContact CZ3-CE1 3.43Å; W280-F292 VanDerWaalsContact CZ3-CE1 3.43Å; W280-F292 HydrophobicContact CZ3-CE2 4.47Å; W280-F292 HydrophobicContact CZ3-CG 4.45Å; W280-F292 AromaticContact CZ3-CZ 3.83Å; W280-F292 HydrophobicContact CZ3-CZ 3.83Å; W280-T304 HydrophobicContact CH2-CG2 3.81Å; W280-T304 HydrophobicContact CZ3-CG2 4.45Å; W280-L307 HydrophobicContact CZ2-CB 3.88Å; W280-L307 PolarHBondContact NE1-O 3.16Å
281	T	87	Confident	77.5	Confident	32 Å²	32	69.3 Å²	69.3	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-74	-34.8	-179.4	55.8	0	0	0	0	114.3	Y271 Y277 R278 Q279 H309	Y271-T281 VanDerWaalsContact CD2-OG1 3.22Å; Y271-T281 WeakPolarHBondContact CD2-OG1 3.38Å; Y277-T281 HydrophobicContact CD1-CG2 3.96Å; Y277-T281 HydrophobicContact CE1-CG2 3.49Å; Y277-T281 VanDerWaalsContact CE1-CG2 3.49Å; Y277-T281 HydrophobicContact CE2-CG2 4.43Å; Y277-T281 WeakPolarHBondContact O-CG2 3.45Å; Y277-T281 PolarHBondContact O-N 3.14Å; Y277-T281 PolarHBondContact O-OG1 3.13Å; R278-T281 PolarHBondContact O-N 2.95Å; R278-T281 VanDerWaalsContact O-N 3.08Å; R278-T281 PolarHBondContact O-OG1 2.93Å; Q279-T281 VanDerWaalsContact C-N 3.31Å; Q279-T281 PolarHBondContact O-N 3.35Å; T281-H309 HydrophobicContact CG2-CB 4.01Å
282	E	85.9	Confident	76.7	Confident	87 Å²	87	65.3 Å²	65.3	41%	0.407	35%	0.353	S	S	.	.	H	α-helix	trans	-76.3	-43.7	-177.6	-72.9	177.3	170.6	0	0	111.6	Y271 R278 Q279	Y271-E282 HydrophobicContact CE2-CG 4Å; Y271-E282 PolarHBondContact OH-OE1 3.46Å; R278-E282 HydrophobicContact CG-CG 4.35Å; R278-E282 IonicContact CZ-OE1 2.79Å; R278-E282 IonicContact NE-OE1 3.27Å; R278-E282 PolarHBondContact NE-OE1 2.81Å; R278-E282 IonicContact NH2-OE1 3.69Å; R278-E282 PolarHBondContact NH2-OE1 3.29Å; R278-E282 VanDerWaalsContact NH2-OE1 3.09Å; R278-E282 WeakPolarHBondContact O-CG 3.35Å; R278-E282 PolarHBondContact O-N 3.14Å; Q279-E282 PolarHBondContact O-N 3.04Å
283	H	75.6	Confident	75.8	Confident	123 Å²	123	62.4 Å²	62.4	57%	0.569	34%	0.338	S	S	*	.	H	α-helix	trans	-105.7	-19.2	-172.9	-62.1	-74.1	0	0	0	114	Q279 D285	Q279-H283 PolarHBondContact O-N 3.44Å; H283-D285 HydrophobicContact CB-CB 3.69Å; H283-D285 PolarHBondContact O-N 3.06Å
284	K	67.4	Low	75.1	Confident	135 Å²	135	66.2 Å²	66.2	59%	0.587	34%	0.342	S	S	*	.			trans	46.9	23.1	-165.1	-58.9	-177.1	-179	179.8	0	112.7	W280 L286	W280-K284 WeakPolarHBondContact O-CA 3.39Å; W280-K284 PolarHBondContact O-N 3.12Å; K284-L286 PolarHBondContact O-N 3.28Å
285	D	59.3	Low	74.8	Confident	49 Å²	49	66.6 Å²	66.6	26%	0.262	34%	0.344	S	S	.	.			trans	-81.2	110.6	-165.8	-174.5	8.3	0	0	0	108.8	H283 H287 T288	H283-D285 HydrophobicContact CB-CB 3.69Å; H283-D285 PolarHBondContact O-N 3.06Å; D285-H287 VanDerWaalsContact C-N 3.29Å; D285-H287 WeakPolarHBondContact OD1-CA 3.34Å; D285-H287 WeakPolarHBondContact OD1-CB 3.41Å; D285-H287 IonicContact OD1-CD2 3.75Å; D285-H287 IonicContact OD1-CG 3.9Å; D285-H287 PolarHBondContact OD1-N 3.04Å; D285-T288 WeakPolarHBondContact OD2-CB 3.31Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.24Å; D285-T288 PolarHBondContact OD2-OG1 3.08Å
286	L	60.2	Low	74.8	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.079	32%	0.323	C	S	.	.	S	Bend	trans	-84.9	-9.5	176.5	-65.9	149.5	0	0	0	111.8	W280 K284 F292 S293 L295 A300 T304	W280-L286 HydrophobicContact CH2-CD2 3.75Å; W280-L286 HydrophobicContact CH2-CG 4.4Å; W280-L286 HydrophobicContact CZ3-CD2 3.53Å; W280-L286 HydrophobicContact CZ3-CG 4.03Å; K284-L286 PolarHBondContact O-N 3.28Å; L286-F292 HydrophobicContact CB-CB 4.28Å; L286-F292 HydrophobicContact CD2-CB 4.32Å; L286-F292 HydrophobicContact CD2-CD1 3.67Å; L286-F292 HydrophobicContact CD2-CE1 4.36Å; L286-F292 HydrophobicContact CD2-CG 4.32Å; L286-F292 CarbonylContact O-C 2.93Å; L286-F292 WeakPolarHBondContact O-CB 3.28Å; L286-S293 WeakPolarHBondContact O-CA 3.47Å; L286-S293 PolarHBondContact O-N 3.42Å; L286-L295 HydrophobicContact CD2-CD1 4.37Å; L286-A300 HydrophobicContact CB-CB 4.08Å; L286-A300 VanDerWaalsContact CD1-C 3.41Å; L286-A300 HydrophobicContact CD1-CB 3.48Å; L286-A300 VanDerWaalsContact CD1-CB 3.48Å; L286-A300 WeakPolarHBondContact CD1-O 3.47Å; L286-A300 HydrophobicContact CD2-CB 3.85Å; L286-A300 HydrophobicContact CG-CB 4Å; L286-T304 HydrophobicContact CD1-CG2 3.28Å; L286-T304 HydrophobicContact CD2-CG2 4.1Å; L286-T304 HydrophobicContact CG-CG2 3.77Å
287	H	56.8	Low	74.9	Confident	144 Å²	144	65 Å²	65	67%	0.667	34%	0.335	S	S	*	.	S	Bend	trans	-98.5	-9.7	-172.9	-56.3	-63.1	0	0	0	112.4	D285	D285-H287 VanDerWaalsContact C-N 3.29Å; D285-H287 WeakPolarHBondContact OD1-CA 3.34Å; D285-H287 WeakPolarHBondContact OD1-CB 3.41Å; D285-H287 IonicContact OD1-CD2 3.75Å; D285-H287 IonicContact OD1-CG 3.9Å; D285-H287 PolarHBondContact OD1-N 3.04Å
288	T	56.3	Low	74.9	Confident	59 Å²	59	67.5 Å²	67.5	36%	0.362	35%	0.348	S	S	.	.	S	Bend	trans	-110.1	150.2	174.2	54.6	0	0	0	0	112.2	D285	D285-T288 WeakPolarHBondContact OD2-CB 3.31Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.24Å; D285-T288 PolarHBondContact OD2-OG1 3.08Å
289	G	61.1	Low	75	Confident	36 Å²	36	61.9 Å²	61.9	37%	0.371	33%	0.327	S	S	.	.	S	Bend	trans	87.3	161.4	-179.4	0	0	0	0	0	114.8	V291 S293	G289-V291 VanDerWaalsContact C-N 3.33Å; G289-V291 PolarHBondContact O-N 2.8Å; G289-S293 WeakPolarHBondContact O-CB 3.25Å; G289-S293 PolarHBondContact O-OG 2.82Å
290	P	61	Low	75.2	Confident	90 Å²	90	58.2 Å²	58.2	58%	0.584	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.8	-169.2	26	-33.8	0	0	0	114.4	R294	P290-R294 PolarHBondContact O-NE 3.05Å
291	V	70	Confident	75.3	Confident	11 Å²	11	61.8 Å²	61.8	7%	0.067	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-51.2	-173	-178.4	0	0	0	0	111.6	L257 T261 Q263 G289	L257-V291 HydrophobicContact CD1-CG1 4.01Å; L257-V291 HydrophobicContact CG-CG1 4.23Å; T261-V291 HydrophobicContact CG2-CG1 3.84Å; Q263-V291 HydrophobicContact CB-CG2 4.29Å; G289-V291 VanDerWaalsContact C-N 3.33Å; G289-V291 PolarHBondContact O-N 2.8Å
292	F	72.8	Confident	75.7	Confident	13 Å²	13	60.3 Å²	60.3	6%	0.057	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-81.6	-30.4	-169.5	-60.8	-80.8	0	0	0	114.2	L257 W266 W280 L286 R294 L295	L257-F292 HydrophobicContact CD1-CD1 4.35Å; L257-F292 HydrophobicContact CD1-CE1 4.36Å; L257-F292 HydrophobicContact CD2-CD1 4.08Å; L257-F292 HydrophobicContact CD2-CE1 3.3Å; L257-F292 HydrophobicContact CD2-CZ 3.78Å; L257-F292 HydrophobicContact CG-CE1 4.47Å; W266-F292 HydrophobicContact CZ3-CZ 4Å; W280-F292 HydrophobicContact CD2-CE1 4.36Å; W280-F292 HydrophobicContact CD2-CZ 4.02Å; W280-F292 HydrophobicContact CE3-CD1 4.26Å; W280-F292 HydrophobicContact CE3-CD2 4.5Å; W280-F292 AromaticContact CE3-CE1 3.63Å; W280-F292 HydrophobicContact CE3-CE1 3.63Å; W280-F292 AromaticContact CE3-CE2 3.96Å; W280-F292 HydrophobicContact CE3-CE2 3.96Å; W280-F292 AromaticContact CE3-CZ 3.48Å; W280-F292 HydrophobicContact CE3-CZ 3.48Å; W280-F292 VanDerWaalsContact CE3-CZ 3.48Å; W280-F292 HydrophobicContact CH2-CE1 4.01Å; W280-F292 AromaticContact CZ3-CD1 3.82Å; W280-F292 HydrophobicContact CZ3-CD1 3.82Å; W280-F292 AromaticContact CZ3-CE1 3.43Å; W280-F292 HydrophobicContact CZ3-CE1 3.43Å; W280-F292 VanDerWaalsContact CZ3-CE1 3.43Å; W280-F292 HydrophobicContact CZ3-CE2 4.47Å; W280-F292 HydrophobicContact CZ3-CG 4.45Å; W280-F292 AromaticContact CZ3-CZ 3.83Å; W280-F292 HydrophobicContact CZ3-CZ 3.83Å; L286-F292 HydrophobicContact CB-CB 4.28Å; L286-F292 HydrophobicContact CD2-CB 4.32Å; L286-F292 HydrophobicContact CD2-CD1 3.67Å; L286-F292 HydrophobicContact CD2-CE1 4.36Å; L286-F292 HydrophobicContact CD2-CG 4.32Å; L286-F292 CarbonylContact O-C 2.93Å; L286-F292 WeakPolarHBondContact O-CB 3.28Å; F292-R294 PolarHBondContact O-N 3.04Å; F292-L295 HydrophobicContact CB-CD1 4.37Å; F292-L295 HydrophobicContact CD1-CD1 3.95Å; F292-L295 WeakPolarHBondContact O-CB 3.49Å; F292-L295 WeakPolarHBondContact O-CG 3.15Å; F292-L295 PolarHBondContact O-N 2.72Å
293	S	72.1	Confident	76.1	Confident	69 Å²	69	56.1 Å²	56.1	48%	0.483	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61	-14.2	-178.1	54.2	0	0	0	0	114.4	L286 G289	L286-S293 WeakPolarHBondContact O-CA 3.47Å; L286-S293 PolarHBondContact O-N 3.42Å; G289-S293 WeakPolarHBondContact O-CB 3.25Å; G289-S293 PolarHBondContact O-OG 2.82Å
294	R	73.7	Confident	76.9	Confident	144 Å²	144	51.5 Å²	51.5	54%	0.543	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-93.1	-4.4	-179.8	-58.5	-178.9	-174.9	-179.4	-1.7	114	G159 P290 F292	G159-R294 PolarHBondContact O-NH1 3.41Å; P290-R294 PolarHBondContact O-NE 3.05Å; F292-R294 PolarHBondContact O-N 3.04Å
295	L	84.9	Confident	78.1	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.099	28%	0.276	C	S	.	.	S	Bend	trans	-84.8	140.2	-172.4	-60.6	172	0	0	0	111.7	L257 V260 T261 L286 F292 L299 A300 L303	L257-L295 HydrophobicContact CD1-CD1 3.68Å; L257-L295 HydrophobicContact CD1-CD2 3.96Å; L257-L295 HydrophobicContact CD1-CG 4.34Å; V260-L295 HydrophobicContact CG2-CD2 3.61Å; T261-L295 HydrophobicContact CG2-CD2 4.02Å; L286-L295 HydrophobicContact CD2-CD1 4.37Å; F292-L295 HydrophobicContact CB-CD1 4.37Å; F292-L295 HydrophobicContact CD1-CD1 3.95Å; F292-L295 WeakPolarHBondContact O-CB 3.49Å; F292-L295 WeakPolarHBondContact O-CG 3.15Å; F292-L295 PolarHBondContact O-N 2.72Å; L295-L299 HydrophobicContact CD2-CD2 4.02Å; L295-A300 HydrophobicContact CB-CB 4.07Å; L295-L303 HydrophobicContact CD1-CD1 3.81Å
296	P	87.6	Confident	79.9	Confident	32 Å²	32	48.6 Å²	48.6	21%	0.208	27%	0.265	C	S	.	.			trans	-53.6	139.8	165.6	-27.9	37	0	0	0	111.4	V164 D298 L299 A300	V164-P296 HydrophobicContact CG2-CG 4.16Å; P296-D298 VanDerWaalsContact C-N 3.26Å; P296-D298 WeakPolarHBondContact CB-OD1 3.42Å; P296-D298 PolarHBondContact O-N 3.35Å; P296-D298 VanDerWaalsContact O-N 3.16Å; P296-L299 HydrophobicContact CB-CB 4.35Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-L299 VanDerWaalsContact O-N 3.11Å; P296-A300 WeakPolarHBondContact O-CB 3.34Å; P296-A300 PolarHBondContact O-N 3.32Å
297	P	87.5	Confident	81.6	Confident	98 Å²	98	47.9 Å²	47.9	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-56.5	-34.7	-174.5	-28.6	35.1	0	0	0	115	N301	P297-N301 WeakPolarHBondContact O-CB 3.45Å; P297-N301 PolarHBondContact O-N 2.92Å
298	D	90.4	Very high	83.4	Confident	53 Å²	53	41.6 Å²	41.6	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-69.2	-42.1	178	61.8	-25.3	0	0	0	112.7	P296 F302	P296-D298 VanDerWaalsContact C-N 3.26Å; P296-D298 WeakPolarHBondContact CB-OD1 3.42Å; P296-D298 PolarHBondContact O-N 3.35Å; P296-D298 VanDerWaalsContact O-N 3.16Å; D298-F302 PolarHBondContact O-N 2.86Å
299	L	92.6	Very high	85.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-42.7	173.5	173.4	57	0	0	0	111.3	V164 L256 V260 L295 P296 N301 F302 L303 W325	V164-L299 HydrophobicContact CG1-CD2 4.05Å; V164-L299 HydrophobicContact CG2-CD2 4.06Å; L256-L299 HydrophobicContact CD2-CD1 3.71Å; L256-L299 HydrophobicContact CG-CD1 4.21Å; V260-L299 HydrophobicContact CG1-CD2 4.42Å; V260-L299 HydrophobicContact CG2-CD2 4.15Å; L295-L299 HydrophobicContact CD2-CD2 4.02Å; P296-L299 HydrophobicContact CB-CB 4.35Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-L299 VanDerWaalsContact O-N 3.11Å; L299-N301 VanDerWaalsContact C-N 3.35Å; L299-N301 PolarHBondContact O-N 3.32Å; L299-F302 HydrophobicContact CD1-CD1 4.26Å; L299-F302 WeakPolarHBondContact O-CB 3.44Å; L299-F302 PolarHBondContact O-N 2.95Å; L299-L303 HydrophobicContact CD1-CD1 3.9Å; L299-L303 HydrophobicContact CD1-CG 4.01Å; L299-L303 HydrophobicContact CG-CD1 3.97Å; L299-L303 WeakPolarHBondContact O-CG 3.27Å; L299-L303 PolarHBondContact O-N 3.18Å; L299-W325 HydrophobicContact CD1-CD2 4.27Å; L299-W325 HydrophobicContact CD1-CH2 4.37Å; L299-W325 HydrophobicContact CD1-CZ2 3.68Å
300	A	89.9	Confident	86.8	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-50.7	177.1	0	0	0	0	0	109.8	L286 L295 P296 F302 L303 T304	L286-A300 HydrophobicContact CB-CB 4.08Å; L286-A300 VanDerWaalsContact CD1-C 3.41Å; L286-A300 HydrophobicContact CD1-CB 3.48Å; L286-A300 VanDerWaalsContact CD1-CB 3.48Å; L286-A300 WeakPolarHBondContact CD1-O 3.47Å; L286-A300 HydrophobicContact CD2-CB 3.85Å; L286-A300 HydrophobicContact CG-CB 4Å; L295-A300 HydrophobicContact CB-CB 4.07Å; P296-A300 WeakPolarHBondContact O-CB 3.34Å; P296-A300 PolarHBondContact O-N 3.32Å; A300-F302 VanDerWaalsContact C-N 3.34Å; A300-F302 PolarHBondContact O-N 3.49Å; A300-L303 PolarHBondContact O-N 3.02Å; A300-L303 VanDerWaalsContact O-N 3.13Å; A300-T304 PolarHBondContact O-N 2.92Å; A300-T304 VanDerWaalsContact O-N 3.11Å
301	N	89.9	Confident	88.5	Confident	86 Å²	86	47 Å²	47	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-55.2	-46	174.7	-179.5	-95.9	0	0	0	112.7	P297 L299 L303 T304	P297-N301 WeakPolarHBondContact O-CB 3.45Å; P297-N301 PolarHBondContact O-N 2.92Å; L299-N301 VanDerWaalsContact C-N 3.35Å; L299-N301 PolarHBondContact O-N 3.32Å; N301-L303 PolarHBondContact O-N 2.9Å; N301-T304 PolarHBondContact O-N 3.45Å; N301-T304 PolarHBondContact O-OG1 3.31Å
302	F	95.3	Very high	89.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57	-48.1	175.1	172.1	-107.1	0	0	0	112.6	Y171 L256 D298 L299 A300 T304 R305 A306 L315 I320 H323 W325	Y171-F302 HydrophobicContact CE1-CE1 4.49Å; Y171-F302 HydrophobicContact CE1-CZ 4.17Å; Y171-F302 HydrophobicContact CE2-CE1 4.43Å; Y171-F302 AromaticContact CZ-CE1 4Å; Y171-F302 AromaticContact CZ-CZ 3.83Å; Y171-F302 WeakPolarHBondContact OH-CZ 3.28Å; L256-F302 HydrophobicContact CD2-CD1 4.04Å; L256-F302 HydrophobicContact CD2-CE1 3.72Å; D298-F302 PolarHBondContact O-N 2.86Å; L299-F302 HydrophobicContact CD1-CD1 4.26Å; L299-F302 WeakPolarHBondContact O-CB 3.44Å; L299-F302 PolarHBondContact O-N 2.95Å; A300-F302 VanDerWaalsContact C-N 3.34Å; A300-F302 PolarHBondContact O-N 3.49Å; F302-T304 VanDerWaalsContact C-N 3.33Å; F302-T304 PolarHBondContact O-N 3.35Å; F302-R305 PolarHBondContact O-N 3.06Å; F302-R305 VanDerWaalsContact O-N 3.16Å; F302-A306 HydrophobicContact CE1-CB 4.1Å; F302-A306 HydrophobicContact CZ-CB 4.11Å; F302-A306 PolarHBondContact O-N 3.08Å; F302-L315 HydrophobicContact CD2-CD1 3.68Å; F302-L315 HydrophobicContact CE2-CD1 3.46Å; F302-L315 VanDerWaalsContact CE2-CD1 3.46Å; F302-L315 HydrophobicContact CZ-CD1 4.38Å; F302-I320 HydrophobicContact CE2-CB 4.41Å; F302-I320 HydrophobicContact CE2-CG1 4.13Å; F302-I320 HydrophobicContact CE2-CG2 3.93Å; F302-I320 HydrophobicContact CZ-CG1 4.32Å; F302-I320 HydrophobicContact CZ-CG2 3.98Å; F302-H323 HydrophobicContact CD2-CB 4.16Å; F302-H323 AromaticContact CD2-CE1 3.9Å; F302-H323 AromaticContact CD2-CG 3.65Å; F302-H323 AromaticContact CD2-ND1 3.54Å; F302-H323 HydrophobicContact CE2-CB 4.42Å; F302-W325 HydrophobicContact CB-CB 3.92Å; F302-W325 HydrophobicContact CB-CD2 4.2Å; F302-W325 HydrophobicContact CB-CE3 4.2Å; F302-W325 HydrophobicContact CB-CG 4.09Å; F302-W325 HydrophobicContact CD1-CD2 4.02Å; F302-W325 AromaticContact CD1-CE3 3.44Å; F302-W325 HydrophobicContact CD1-CE3 3.44Å; F302-W325 VanDerWaalsContact CD1-CE3 3.44Å; F302-W325 HydrophobicContact CD1-CH2 4.33Å; F302-W325 AromaticContact CD1-CZ3 3.62Å; F302-W325 HydrophobicContact CD1-CZ3 3.62Å; F302-W325 AromaticContact CD2-CE3 3.85Å; F302-W325 HydrophobicContact CD2-CE3 3.85Å; F302-W325 HydrophobicContact CD2-CZ3 4.49Å; F302-W325 AromaticContact CE1-CE3 3.66Å; F302-W325 HydrophobicContact CE1-CE3 3.66Å; F302-W325 HydrophobicContact CE1-CH2 4.17Å; F302-W325 AromaticContact CE1-CZ3 3.39Å; F302-W325 HydrophobicContact CE1-CZ3 3.39Å; F302-W325 HydrophobicContact CE2-CE3 4.03Å; F302-W325 HydrophobicContact CE2-CZ3 4.29Å; F302-W325 HydrophobicContact CG-CB 4.4Å; F302-W325 HydrophobicContact CG-CD2 4.02Å; F302-W325 AromaticContact CG-CE3 3.53Å; F302-W325 HydrophobicContact CG-CE3 3.53Å; F302-W325 HydrophobicContact CG-CG 4.39Å; F302-W325 HydrophobicContact CG-CZ3 4.17Å; F302-W325 AromaticContact CZ-CE3 3.94Å; F302-W325 HydrophobicContact CZ-CE3 3.94Å; F302-W325 AromaticContact CZ-CZ3 3.75Å; F302-W325 HydrophobicContact CZ-CZ3 3.75Å
303	L	93.8	Very high	90.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-33.4	-177	-75.7	168	0	0	0	113	L256 L257 L295 L299 A300 N301 R305 A306 L307	L256-L303 HydrophobicContact CD2-CD2 4.08Å; L256-L303 HydrophobicContact CG-CD2 4.41Å; L257-L303 HydrophobicContact CB-CD1 4.26Å; L257-L303 HydrophobicContact CB-CD2 4.35Å; L257-L303 HydrophobicContact CD1-CD1 3.97Å; L295-L303 HydrophobicContact CD1-CD1 3.81Å; L299-L303 HydrophobicContact CD1-CD1 3.9Å; L299-L303 HydrophobicContact CD1-CG 4.01Å; L299-L303 HydrophobicContact CG-CD1 3.97Å; L299-L303 WeakPolarHBondContact O-CG 3.27Å; L299-L303 PolarHBondContact O-N 3.18Å; A300-L303 PolarHBondContact O-N 3.02Å; A300-L303 VanDerWaalsContact O-N 3.13Å; N301-L303 PolarHBondContact O-N 2.9Å; L303-R305 PolarHBondContact O-N 2.82Å; L303-A306 PolarHBondContact O-N 3.17Å; L303-L307 HydrophobicContact CB-CD1 4.49Å; L303-L307 HydrophobicContact CD2-CD1 3.99Å; L303-L307 HydrophobicContact CD2-CG 4.35Å; L303-L307 VanDerWaalsContact O-CB 3.3Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 PolarHBondContact O-N 3.42Å
304	T	91.6	Very high	92.1	Very high	25 Å²	25	52.5 Å²	52.5	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-30.5	175.6	61.6	0	0	0	0	113.5	W280 L286 A300 N301 F302	W280-T304 HydrophobicContact CH2-CG2 3.81Å; W280-T304 HydrophobicContact CZ3-CG2 4.45Å; L286-T304 HydrophobicContact CD1-CG2 3.28Å; L286-T304 HydrophobicContact CD2-CG2 4.1Å; L286-T304 HydrophobicContact CG-CG2 3.77Å; A300-T304 PolarHBondContact O-N 2.92Å; A300-T304 VanDerWaalsContact O-N 3.11Å; N301-T304 PolarHBondContact O-N 3.45Å; N301-T304 PolarHBondContact O-OG1 3.31Å; F302-T304 VanDerWaalsContact C-N 3.33Å; F302-T304 PolarHBondContact O-N 3.35Å
305	R	94.1	Very high	93.3	Very high	119 Å²	119	45.9 Å²	45.9	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-93.2	-37.6	178.6	-59.5	178.6	65.4	-170.1	-0.8	111.7	F302 L303 L307 A308 R314 L315	F302-R305 PolarHBondContact O-N 3.06Å; F302-R305 VanDerWaalsContact O-N 3.16Å; L303-R305 PolarHBondContact O-N 2.82Å; R305-L307 VanDerWaalsContact C-N 3.32Å; R305-L307 PolarHBondContact O-N 2.76Å; R305-A308 PolarHBondContact O-N 2.58Å; R305-R314 WeakPolarHBondContact O-CA 3.48Å; R305-L315 HydrophobicContact CB-CD1 3.87Å; R305-L315 HydrophobicContact CB-CD2 3.92Å; R305-L315 HydrophobicContact CB-CG 3.64Å; R305-L315 VanDerWaalsContact CZ-CD2 3.44Å; R305-L315 PolarHBondContact O-N 3.04Å
306	A	96	Very high	93.9	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-35.8	176.4	0	0	0	0	0	112.3	F302 L303 L315	F302-A306 HydrophobicContact CE1-CB 4.1Å; F302-A306 HydrophobicContact CZ-CB 4.11Å; F302-A306 PolarHBondContact O-N 3.08Å; L303-A306 PolarHBondContact O-N 3.17Å; A306-L315 HydrophobicContact CB-CD1 4.36Å
307	L	95.6	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	26	-179.1	-60	177.5	0	0	0	113	F250 V254 L257 W266 W280 L303 R305 H309	F250-L307 HydrophobicContact CD1-CD2 4.43Å; F250-L307 HydrophobicContact CD2-CD2 3.94Å; F250-L307 HydrophobicContact CE1-CD2 4.46Å; F250-L307 HydrophobicContact CE2-CB 4.15Å; F250-L307 HydrophobicContact CE2-CD2 3.96Å; F250-L307 HydrophobicContact CG-CD2 4.19Å; F250-L307 HydrophobicContact CZ-CD2 4.23Å; F250-L307 WeakPolarHBondContact O-CD2 3.49Å; V254-L307 HydrophobicContact CG2-CD2 3.67Å; L257-L307 HydrophobicContact CD2-CD1 4.01Å; W266-L307 HydrophobicContact CH2-CD1 4.03Å; W280-L307 HydrophobicContact CZ2-CB 3.88Å; W280-L307 PolarHBondContact NE1-O 3.16Å; L303-L307 HydrophobicContact CB-CD1 4.49Å; L303-L307 HydrophobicContact CD2-CD1 3.99Å; L303-L307 HydrophobicContact CD2-CG 4.35Å; L303-L307 VanDerWaalsContact O-CB 3.3Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 PolarHBondContact O-N 3.42Å; R305-L307 VanDerWaalsContact C-N 3.32Å; R305-L307 PolarHBondContact O-N 2.76Å; L307-H309 PolarHBondContact O-N 3.29Å
308	A	94.9	Very high	94.9	Very high	12 Å²	12	49.7 Å²	49.7	10%	0.099	25%	0.253	C	S	.	.			trans	-59.9	137.5	176.1	0	0	0	0	0	110.9	R305 R310 D313 R314	R305-A308 PolarHBondContact O-N 2.58Å; A308-R310 PolarHBondContact O-N 3.25Å; A308-D313 HydrophobicContact CB-CB 3.95Å; A308-R314 HydrophobicContact CB-CG 3.85Å; A308-R314 WeakPolarHBondContact O-CG 3.18Å; A308-R314 PolarHBondContact O-NE 3.23Å
309	H	94.7	Very high	95.3	Very high	82 Å²	82	49.3 Å²	49.3	38%	0.38	25%	0.254	S	S	.	.	S	Bend	trans	-59.4	-50	-175.9	-179	68.5	0	0	0	112.1	P234 Y277 T281 L307 R314	P234-H309 WeakPolarHBondContact CG-O 3.38Å; Y277-H309 AromaticContact CE1-ND1 3.57Å; Y277-H309 AromaticContact CZ-ND1 3.66Å; Y277-H309 PolarHBondContact OH-ND1 3.13Å; T281-H309 HydrophobicContact CG2-CB 4.01Å; L307-H309 PolarHBondContact O-N 3.29Å; H309-R314 PolarHBondContact O-NH2 3.36Å
310	R	95.3	Very high	95.6	Very high	164 Å²	164	49.4 Å²	49.4	62%	0.619	26%	0.255	S	S	*	.	S	Bend	trans	-79.9	132	178.4	-65.8	179.9	177.2	175	-0	110.6	A308 S312 D313	A308-R310 PolarHBondContact O-N 3.25Å; R310-S312 PolarHBondContact O-N 2.97Å; R310-D313 HydrophobicContact CB-CB 4.4Å; R310-D313 PolarHBondContact O-N 3.46Å
311	P	96.9	Very high	95.9	Very high	53 Å²	53	52.7 Å²	52.7	34%	0.344	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.2	-33.5	177.8	-25.7	33.2	0	0	0	114.2	E235 P246 D313 R314	E235-P311 HydrophobicContact CB-CG 4.35Å; E235-P311 HydrophobicContact CG-CG 4.12Å; P246-P311 HydrophobicContact CB-CB 3.95Å; P311-D313 PolarHBondContact O-N 3Å; P311-R314 PolarHBondContact O-N 2.92Å
312	S	96.5	Very high	96.3	Very high	99 Å²	99	52.9 Å²	52.9	69%	0.692	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.4	-27.1	178.1	55.3	0	0	0	0	113.9	R310	R310-S312 PolarHBondContact O-N 2.97Å
313	D	96	Very high	96.4	Very high	95 Å²	95	53.1 Å²	53.1	51%	0.508	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-94.3	-7.7	-174.9	-55	-12.5	0	0	0	111	A308 R310 P311	A308-D313 HydrophobicContact CB-CB 3.95Å; R310-D313 HydrophobicContact CB-CB 4.4Å; R310-D313 PolarHBondContact O-N 3.46Å; P311-D313 PolarHBondContact O-N 3Å
314	R	97.6	Very high	96.5	Very high	14 Å²	14	57.6 Å²	57.6	5%	0.053	30%	0.3	C	S	.	.	S	Bend	trans	-74.9	148.5	178.5	-68.1	-178.6	-152.3	144.2	13.9	111.4	E235 P246 R305 A308 H309 P311 T316	E235-R314 VanDerWaalsContact CD-NH2 3.34Å; E235-R314 IonicContact OE1-CZ 2.64Å; E235-R314 IonicContact OE1-NH1 3.39Å; E235-R314 PolarHBondContact OE1-NH1 3.05Å; E235-R314 IonicContact OE1-NH2 3.39Å; E235-R314 PolarHBondContact OE1-NH2 2.93Å; E235-R314 IonicContact OE2-CZ 3.09Å; E235-R314 IonicContact OE2-NH1 3.39Å; E235-R314 PolarHBondContact OE2-NH1 2.82Å; E235-R314 IonicContact OE2-NH2 2.77Å; E235-R314 PolarHBondContact OE2-NH2 3.4Å; P246-R314 PolarHBondContact O-NH1 2.93Å; R305-R314 WeakPolarHBondContact O-CA 3.48Å; A308-R314 HydrophobicContact CB-CG 3.85Å; A308-R314 WeakPolarHBondContact O-CG 3.18Å; A308-R314 PolarHBondContact O-NE 3.23Å; H309-R314 PolarHBondContact O-NH2 3.36Å; P311-R314 PolarHBondContact O-N 2.92Å; R314-T316 PolarHBondContact O-N 3.44Å
315	L	98	Very high	96.7	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.031	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-61.7	129.8	172.9	-63.1	173.4	0	0	0	110.8	L249 F302 R305 A306 I320	L249-L315 VanDerWaalsContact CD1-O 3.28Å; L249-L315 WeakPolarHBondContact CD1-O 3.48Å; F302-L315 HydrophobicContact CD2-CD1 3.68Å; F302-L315 HydrophobicContact CE2-CD1 3.46Å; F302-L315 VanDerWaalsContact CE2-CD1 3.46Å; F302-L315 HydrophobicContact CZ-CD1 4.38Å; R305-L315 HydrophobicContact CB-CD1 3.87Å; R305-L315 HydrophobicContact CB-CD2 3.92Å; R305-L315 HydrophobicContact CB-CG 3.64Å; R305-L315 VanDerWaalsContact CZ-CD2 3.44Å; R305-L315 PolarHBondContact O-N 3.04Å; A306-L315 HydrophobicContact CB-CD1 4.36Å; L315-I320 HydrophobicContact CB-CD1 4.29Å; L315-I320 HydrophobicContact CB-CG1 3.58Å; L315-I320 HydrophobicContact CD1-CG1 4.07Å; L315-I320 HydrophobicContact CG-CG1 4.47Å
316	T	98.3	Very high	96.8	Very high	73 Å²	73	51.9 Å²	51.9	45%	0.448	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-73.8	164.1	164.3	65	0	0	0	0	110.6	R314 E318 S319 I320	R314-T316 PolarHBondContact O-N 3.44Å; T316-E318 VanDerWaalsContact C-N 3.27Å; T316-E318 PolarHBondContact O-N 3.47Å; T316-S319 CarbonylContact O-C 3.49Å; T316-S319 WeakPolarHBondContact O-CA 3.14Å; T316-S319 WeakPolarHBondContact O-CB 3.44Å; T316-S319 PolarHBondContact O-N 3.48Å; T316-S319 WeakPolarHBondContact OG1-CB 3.41Å; T316-S319 PolarHBondContact OG1-N 2.72Å; T316-S319 PolarHBondContact OG1-OG 3.28Å; T316-I320 WeakPolarHBondContact O-CG1 3.34Å; T316-I320 PolarHBondContact O-N 3.27Å
317	I	98.4	Very high	96.8	Very high	13 Å²	13	59 Å²	59	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-55.1	-43.5	176.6	-64	-179.1	0	0	0	111.7	L175 N179 L249 S319 I320 K321	L175-I317 HydrophobicContact CD1-CG1 4.21Å; L175-I317 HydrophobicContact CD1-CG2 4.34Å; L175-I317 HydrophobicContact CG-CG2 4.4Å; N179-I317 VanDerWaalsContact CA-CD1 3.49Å; N179-I317 HydrophobicContact CB-CD1 3.95Å; N179-I317 HydrophobicContact CB-CG2 4.04Å; L249-I317 HydrophobicContact CD1-CG1 4.02Å; L249-I317 HydrophobicContact CD2-CD1 4.39Å; L249-I317 HydrophobicContact CD2-CG1 3.82Å; I317-S319 VanDerWaalsContact C-N 3.34Å; I317-S319 PolarHBondContact O-N 3.22Å; I317-I320 PolarHBondContact O-N 2.79Å; I317-K321 HydrophobicContact CG2-CD 4.27Å; I317-K321 WeakPolarHBondContact O-CG 3.42Å; I317-K321 PolarHBondContact O-N 3.49Å
318	E	97.8	Very high	96.6	Very high	142 Å²	142	62.5 Å²	62.5	66%	0.664	32%	0.32	S	S	*	.	H	α-helix	trans	-61	-43.9	175.3	-172.9	-173.7	177.5	0	0	111.6	T316 I320 K321 N322	T316-E318 VanDerWaalsContact C-N 3.27Å; T316-E318 PolarHBondContact O-N 3.47Å; E318-I320 VanDerWaalsContact C-N 3.33Å; E318-I320 PolarHBondContact O-N 3.44Å; E318-K321 PolarHBondContact O-N 3.13Å; E318-N322 PolarHBondContact O-N 2.97Å; E318-N322 PolarHBondContact O-ND2 3.39Å; E318-N322 VanDerWaalsContact O-ND2 3.13Å
319	S	98	Very high	96.5	Very high	45 Å²	45	62.1 Å²	62.1	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-36.4	176.9	-58.3	0	0	0	0	112.3	T316 I317 N322 H323	T316-S319 CarbonylContact O-C 3.49Å; T316-S319 WeakPolarHBondContact O-CA 3.14Å; T316-S319 WeakPolarHBondContact O-CB 3.44Å; T316-S319 PolarHBondContact O-N 3.48Å; T316-S319 WeakPolarHBondContact OG1-CB 3.41Å; T316-S319 PolarHBondContact OG1-N 2.72Å; T316-S319 PolarHBondContact OG1-OG 3.28Å; I317-S319 VanDerWaalsContact C-N 3.34Å; I317-S319 PolarHBondContact O-N 3.22Å; S319-N322 PolarHBondContact O-N 3.48Å; S319-H323 PolarHBondContact O-N 2.81Å
320	I	98.4	Very high	96.3	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-49.9	173.9	-66.2	168.1	0	0	0	109.6	Y171 L175 L249 F302 L315 T316 I317 E318 N322 H323 Y326	Y171-I320 HydrophobicContact CE1-CG2 4.1Å; L175-I320 HydrophobicContact CD1-CD1 3.84Å; L175-I320 HydrophobicContact CD1-CG2 4.32Å; L175-I320 HydrophobicContact CD2-CB 4.22Å; L175-I320 HydrophobicContact CD2-CG2 3.48Å; L175-I320 VanDerWaalsContact CD2-CG2 3.48Å; L249-I320 HydrophobicContact CD1-CD1 4.38Å; L249-I320 HydrophobicContact CD2-CD1 4.11Å; F302-I320 HydrophobicContact CE2-CB 4.41Å; F302-I320 HydrophobicContact CE2-CG1 4.13Å; F302-I320 HydrophobicContact CE2-CG2 3.93Å; F302-I320 HydrophobicContact CZ-CG1 4.32Å; F302-I320 HydrophobicContact CZ-CG2 3.98Å; L315-I320 HydrophobicContact CB-CD1 4.29Å; L315-I320 HydrophobicContact CB-CG1 3.58Å; L315-I320 HydrophobicContact CD1-CG1 4.07Å; L315-I320 HydrophobicContact CG-CG1 4.47Å; T316-I320 WeakPolarHBondContact O-CG1 3.34Å; T316-I320 PolarHBondContact O-N 3.27Å; I317-I320 PolarHBondContact O-N 2.79Å; E318-I320 VanDerWaalsContact C-N 3.33Å; E318-I320 PolarHBondContact O-N 3.44Å; I320-N322 PolarHBondContact O-N 2.88Å; I320-H323 VanDerWaalsContact O-CB 3.29Å; I320-H323 WeakPolarHBondContact O-CB 3.3Å; I320-H323 PolarHBondContact O-N 2.79Å; I320-Y326 HydrophobicContact CG2-CD2 3.85Å; I320-Y326 HydrophobicContact CG2-CE2 4.3Å; I320-Y326 HydrophobicContact CG2-CG 4.26Å; I320-Y326 WeakPolarHBondContact O-CB 3.32Å
321	K	97.3	Very high	95.9	Very high	73 Å²	73	56 Å²	56	32%	0.317	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-31.4	179	-73.8	178.8	175.8	-179	0	112.4	L175 I317 E318 Y326 R327	L175-K321 HydrophobicContact CD2-CG 4.38Å; I317-K321 HydrophobicContact CG2-CD 4.27Å; I317-K321 WeakPolarHBondContact O-CG 3.42Å; I317-K321 PolarHBondContact O-N 3.49Å; E318-K321 PolarHBondContact O-N 3.13Å; K321-Y326 HydrophobicContact CG-CE1 4.18Å; K321-R327 WeakPolarHBondContact O-CG 3.48Å
322	N	97.3	Very high	95.2	Very high	89 Å²	89	59.6 Å²	59.6	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-89.1	-8.1	177.1	-73	-44.5	0	0	0	114.6	E318 S319 I320	E318-N322 PolarHBondContact O-N 2.97Å; E318-N322 PolarHBondContact O-ND2 3.39Å; E318-N322 VanDerWaalsContact O-ND2 3.13Å; S319-N322 PolarHBondContact O-N 3.48Å; I320-N322 PolarHBondContact O-N 2.88Å
323	H	97.5	Very high	94	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.028	30%	0.296	C	S	.	.	S	Bend	trans	-68.4	139.4	-177.3	-164.6	-87.7	0	0	0	111.8	F302 S319 I320 W325 Y326 R327	F302-H323 HydrophobicContact CD2-CB 4.16Å; F302-H323 AromaticContact CD2-CE1 3.9Å; F302-H323 AromaticContact CD2-CG 3.65Å; F302-H323 AromaticContact CD2-ND1 3.54Å; F302-H323 HydrophobicContact CE2-CB 4.42Å; S319-H323 PolarHBondContact O-N 2.81Å; I320-H323 VanDerWaalsContact O-CB 3.29Å; I320-H323 WeakPolarHBondContact O-CB 3.3Å; I320-H323 PolarHBondContact O-N 2.79Å; H323-W325 PolarHBondContact ND1-N 2.8Å; H323-W325 PolarHBondContact O-N 2.85Å; H323-Y326 PolarHBondContact O-N 2.73Å; H323-R327 PolarHBondContact O-N 2.86Å
324	P	96.1	Very high	92.3	Very high	93 Å²	93	61.7 Å²	61.7	60%	0.604	31%	0.308	S	S	*	.	H	α-helix	trans	-51.9	-47.6	-179.3	-30.3	36	0	0	0	114.5	Y326 R327 L328	P324-Y326 VanDerWaalsContact C-N 3.31Å; P324-Y326 PolarHBondContact O-N 3.05Å; P324-R327 PolarHBondContact O-N 2.79Å; P324-L328 VanDerWaalsContact O-CB 3.3Å; P324-L328 WeakPolarHBondContact O-CB 3.49Å; P324-L328 PolarHBondContact O-N 2.9Å
325	W	95.7	Very high	90	Very high	9 Å²	9	65.3 Å²	65.3	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-54.8	-44.5	175.8	174.1	77.5	0	0	0	112.6	F168 Y171 L256 L299 F302 H323 G329	F168-W325 AromaticContact CD2-CH2 3.79Å; F168-W325 HydrophobicContact CD2-CH2 3.79Å; F168-W325 AromaticContact CD2-CZ2 3.89Å; F168-W325 HydrophobicContact CD2-CZ2 3.89Å; F168-W325 HydrophobicContact CD2-CZ3 4.24Å; F168-W325 HydrophobicContact CE2-CH2 4.45Å; F168-W325 HydrophobicContact CE2-CZ3 4.47Å; Y171-W325 HydrophobicContact CD1-CH2 4.06Å; Y171-W325 HydrophobicContact CD1-CZ3 4.03Å; Y171-W325 HydrophobicContact CE1-CH2 4.43Å; Y171-W325 HydrophobicContact CE1-CZ3 4.01Å; Y171-W325 HydrophobicContact CG-CH2 4.21Å; L256-W325 HydrophobicContact CD1-CH2 4.21Å; L256-W325 HydrophobicContact CD1-CZ2 4.33Å; L256-W325 HydrophobicContact CD2-CH2 3.46Å; L256-W325 VanDerWaalsContact CD2-CH2 3.46Å; L256-W325 HydrophobicContact CD2-CZ2 3.97Å; L256-W325 HydrophobicContact CD2-CZ3 4.05Å; L299-W325 HydrophobicContact CD1-CD2 4.27Å; L299-W325 HydrophobicContact CD1-CH2 4.37Å; L299-W325 HydrophobicContact CD1-CZ2 3.68Å; F302-W325 HydrophobicContact CB-CB 3.92Å; F302-W325 HydrophobicContact CB-CD2 4.2Å; F302-W325 HydrophobicContact CB-CE3 4.2Å; F302-W325 HydrophobicContact CB-CG 4.09Å; F302-W325 HydrophobicContact CD1-CD2 4.02Å; F302-W325 AromaticContact CD1-CE3 3.44Å; F302-W325 HydrophobicContact CD1-CE3 3.44Å; F302-W325 VanDerWaalsContact CD1-CE3 3.44Å; F302-W325 HydrophobicContact CD1-CH2 4.33Å; F302-W325 AromaticContact CD1-CZ3 3.62Å; F302-W325 HydrophobicContact CD1-CZ3 3.62Å; F302-W325 AromaticContact CD2-CE3 3.85Å; F302-W325 HydrophobicContact CD2-CE3 3.85Å; F302-W325 HydrophobicContact CD2-CZ3 4.49Å; F302-W325 AromaticContact CE1-CE3 3.66Å; F302-W325 HydrophobicContact CE1-CE3 3.66Å; F302-W325 HydrophobicContact CE1-CH2 4.17Å; F302-W325 AromaticContact CE1-CZ3 3.39Å; F302-W325 HydrophobicContact CE1-CZ3 3.39Å; F302-W325 HydrophobicContact CE2-CE3 4.03Å; F302-W325 HydrophobicContact CE2-CZ3 4.29Å; F302-W325 HydrophobicContact CG-CB 4.4Å; F302-W325 HydrophobicContact CG-CD2 4.02Å; F302-W325 AromaticContact CG-CE3 3.53Å; F302-W325 HydrophobicContact CG-CE3 3.53Å; F302-W325 HydrophobicContact CG-CG 4.39Å; F302-W325 HydrophobicContact CG-CZ3 4.17Å; F302-W325 AromaticContact CZ-CE3 3.94Å; F302-W325 HydrophobicContact CZ-CE3 3.94Å; F302-W325 AromaticContact CZ-CZ3 3.75Å; F302-W325 HydrophobicContact CZ-CZ3 3.75Å; H323-W325 PolarHBondContact ND1-N 2.8Å; H323-W325 PolarHBondContact O-N 2.85Å; W325-G329 PolarHBondContact O-N 3.15Å
326	Y	97	Very high	87.1	Confident	15 Å²	15	70.5 Å²	70.5	6%	0.059	37%	0.366	C	S	.	.	H	α-helix	trans	-70.4	-43.3	-178.4	-169	-89.7	0	0	0	111.8	F168 Y171 A172 L175 I320 K321 H323 P324 G329 L330	F168-Y326 AromaticContact CE2-CD2 3.69Å; F168-Y326 HydrophobicContact CE2-CD2 3.69Å; F168-Y326 HydrophobicContact CE2-CE2 4.02Å; F168-Y326 HydrophobicContact CE2-CG 4.1Å; F168-Y326 HydrophobicContact CZ-CD2 4.26Å; F168-Y326 HydrophobicContact CZ-CE2 4.29Å; F168-Y326 HydrophobicContact CZ-CG 4.47Å; F168-Y326 WeakPolarHBondContact CZ-O 3.31Å; Y171-Y326 HydrophobicContact CD1-CD2 4.31Å; Y171-Y326 HydrophobicContact CD1-CE2 4.09Å; Y171-Y326 HydrophobicContact CE1-CD2 4.2Å; Y171-Y326 HydrophobicContact CE1-CE2 4.18Å; A172-Y326 HydrophobicContact CB-CE2 4.06Å; A172-Y326 WeakPolarHBondContact CB-OH 3.46Å; L175-Y326 HydrophobicContact CD2-CD2 4.32Å; L175-Y326 HydrophobicContact CD2-CE2 3.55Å; I320-Y326 HydrophobicContact CG2-CD2 3.85Å; I320-Y326 HydrophobicContact CG2-CE2 4.3Å; I320-Y326 HydrophobicContact CG2-CG 4.26Å; I320-Y326 WeakPolarHBondContact O-CB 3.32Å; K321-Y326 HydrophobicContact CG-CE1 4.18Å; H323-Y326 PolarHBondContact O-N 2.73Å; P324-Y326 VanDerWaalsContact C-N 3.31Å; P324-Y326 PolarHBondContact O-N 3.05Å; Y326-G329 PolarHBondContact O-N 2.82Å; Y326-L330 HydrophobicContact CD1-CD1 3.97Å; Y326-L330 HydrophobicContact CD1-CG 4.17Å; Y326-L330 HydrophobicContact CE1-CD1 3.63Å; Y326-L330 HydrophobicContact CE1-CD2 4.32Å; Y326-L330 HydrophobicContact CE1-CG 3.91Å; Y326-L330 PolarHBondContact O-N 3.2Å
327	R	95.6	Very high	84.2	Confident	154 Å²	154	73 Å²	73	58%	0.581	38%	0.381	S	S	*	.	H	α-helix	trans	-64	-41	177.1	-65.2	-174.3	77.5	148.1	3.3	112	K321 H323 P324 L330 A331	K321-R327 WeakPolarHBondContact O-CG 3.48Å; H323-R327 PolarHBondContact O-N 2.86Å; P324-R327 PolarHBondContact O-N 2.79Å; R327-L330 PolarHBondContact O-N 2.9Å; R327-A331 PolarHBondContact O-N 3.15Å
328	L	92.4	Very high	81.1	Confident	74 Å²	74	76.4 Å²	76.4	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-65.6	-42.6	175.8	-177.3	60.8	0	0	0	111.3	P324 L330 A331 R332	P324-L328 VanDerWaalsContact O-CB 3.3Å; P324-L328 WeakPolarHBondContact O-CB 3.49Å; P324-L328 PolarHBondContact O-N 2.9Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.86Å; L328-A331 PolarHBondContact O-N 2.89Å; L328-R332 WeakPolarHBondContact O-CG 3.49Å; L328-R332 PolarHBondContact O-N 2.84Å
329	G	91.6	Very high	77.8	Confident	4 Å²	4	74.7 Å²	74.7	4%	0.041	42%	0.415	C	S	.	.	H	α-helix	trans	-57.3	-45.2	173.4	0	0	0	0	0	112.1	F168 W325 Y326 R332 R333	F168-G329 VanDerWaalsContact CE1-O 3.27Å; F168-G329 WeakPolarHBondContact CE1-O 3.45Å; W325-G329 PolarHBondContact O-N 3.15Å; Y326-G329 PolarHBondContact O-N 2.82Å; G329-R332 PolarHBondContact O-N 2.73Å; G329-R333 WeakPolarHBondContact O-CG 3.33Å; G329-R333 PolarHBondContact O-N 2.91Å
330	L	89.9	Confident	74.7	Confident	68 Å²	68	77.1 Å²	77.1	36%	0.356	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-45.8	175.5	-74.6	-178.4	0	0	0	111.7	F168 Y326 R327 L328 R332 R333 L334	F168-L330 HydrophobicContact CE1-CD2 4.13Å; F168-L330 HydrophobicContact CE1-CG 4.41Å; F168-L330 VanDerWaalsContact CE1-N 3.3Å; F168-L330 HydrophobicContact CZ-CB 4.46Å; F168-L330 HydrophobicContact CZ-CD2 3.97Å; F168-L330 HydrophobicContact CZ-CG 3.92Å; Y326-L330 HydrophobicContact CD1-CD1 3.97Å; Y326-L330 HydrophobicContact CD1-CG 4.17Å; Y326-L330 HydrophobicContact CE1-CD1 3.63Å; Y326-L330 HydrophobicContact CE1-CD2 4.32Å; Y326-L330 HydrophobicContact CE1-CG 3.91Å; Y326-L330 PolarHBondContact O-N 3.2Å; R327-L330 PolarHBondContact O-N 2.9Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.86Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 2.75Å; L330-R333 WeakPolarHBondContact O-CB 3.34Å; L330-R333 PolarHBondContact O-N 3.23Å; L330-R333 VanDerWaalsContact O-N 3.13Å; L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 3.49Å
331	A	87	Confident	71.6	Confident	49 Å²	49	88.6 Å²	88.6	41%	0.405	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-43.8	177.9	0	0	0	0	0	111.7	R327 L328 R333 L334 T335	R327-A331 PolarHBondContact O-N 3.15Å; L328-A331 PolarHBondContact O-N 2.89Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 2.79Å; A331-L334 PolarHBondContact O-N 3.41Å; A331-T335 PolarHBondContact O-N 2.88Å
332	R	83	Confident	68.4	Low	129 Å²	129	90.1 Å²	90.1	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-28.4	175.6	-72.3	176.3	176.3	162.6	-0.2	113.6	L328 G329 L330 L334 T335	L328-R332 WeakPolarHBondContact O-CG 3.49Å; L328-R332 PolarHBondContact O-N 2.84Å; G329-R332 PolarHBondContact O-N 2.73Å; L330-R332 VanDerWaalsContact C-N 3.34Å; L330-R332 PolarHBondContact O-N 2.75Å; R332-L334 VanDerWaalsContact C-N 3.31Å; R332-T335 PolarHBondContact O-OG1 3.22Å
333	R	71.2	Confident	65.4	Low	94 Å²	94	96.9 Å²	96.9	36%	0.355	51%	0.511	S	S	.	.	H	α-helix	trans	-71.9	-26.8	171.6	-71	-173.5	75.6	164.9	15.4	112.6	F168 I169 G329 L330 A331	F168-R333 HydrophobicContact CD1-CG 3.93Å; F168-R333 VanDerWaalsContact CE1-CD 3.46Å; F168-R333 HydrophobicContact CE1-CG 3.9Å; I169-R333 HydrophobicContact CG1-CG 4.29Å; I169-R333 PolarHBondContact O-NH1 3.04Å; G329-R333 WeakPolarHBondContact O-CG 3.33Å; G329-R333 PolarHBondContact O-N 2.91Å; L330-R333 WeakPolarHBondContact O-CB 3.34Å; L330-R333 PolarHBondContact O-N 3.23Å; L330-R333 VanDerWaalsContact O-N 3.13Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 2.79Å
334	L	61.4	Low	62.2	Low	144 Å²	144	105 Å²	105	75%	0.754	55%	0.55	S	S	*	.	H	α-helix	trans	-93.4	-20.3	-176.9	-66.1	175.8	0	0	0	113.3	L330 A331 R332 P336	L330-L334 WeakPolarHBondContact O-CG 3.43Å; L330-L334 PolarHBondContact O-N 3.49Å; A331-L334 PolarHBondContact O-N 3.41Å; R332-L334 VanDerWaalsContact C-N 3.31Å; L334-P336 VanDerWaalsContact O-CD 3.24Å; L334-P336 WeakPolarHBondContact O-CD 3.37Å
335	T	49.1	Very low	59.2	Low	90 Å²	90	108.4 Å²	108.4	55%	0.552	56%	0.562	S	S	*	*	S	Bend	trans	-65.2	117.2	171.9	47.3	0	0	0	0	109.1	A331 R332 V337	A331-T335 PolarHBondContact O-N 2.88Å; R332-T335 PolarHBondContact O-OG1 3.22Å; T335-V337 PolarHBondContact O-N 2.77Å
336	P	37.1	Very low	56.2	Low	114 Å²	114	113 Å²	113	74%	0.74	60%	0.596	S	S	*	*			trans	-56.2	133.4	169.2	-18	30.5	0	0	0	108	L334 A338	L334-P336 VanDerWaalsContact O-CD 3.24Å; L334-P336 WeakPolarHBondContact O-CD 3.37Å; P336-A338 PolarHBondContact O-N 3.41Å
337	V	37.7	Very low	53	Low	126 Å²	126	115.7 Å²	115.7	76%	0.764	63%	0.629	S	S	*	*			trans	-58.4	107.8	165.1	179.9	0	0	0	0	105.1	T335 S339	T335-V337 PolarHBondContact O-N 2.77Å; V337-S339 PolarHBondContact O-N 2.86Å; V337-S339 VanDerWaalsContact O-N 3.14Å
338	A	32	Very low	49.9	Very low	85 Å²	85	114.9 Å²	114.9	70%	0.702	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-56.4	124.8	-179.6	0	0	0	0	0	107.7	P336	P336-A338 PolarHBondContact O-N 3.41Å
339	S	29.5	Very low	46.7	Very low	106 Å²	106	117.3 Å²	117.3	74%	0.741	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-51	132.8	172.1	-55.1	0	0	0	0	107.9	V337 R341	V337-S339 PolarHBondContact O-N 2.86Å; V337-S339 VanDerWaalsContact O-N 3.14Å; S339-R341 PolarHBondContact O-N 3.34Å
340	P	32.7	Very low	43.8	Very low	96 Å²	96	120.7 Å²	120.7	62%	0.623	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-52.3	123.3	-179.1	17.4	-28.2	0	0	0	108.1	S342	P340-S342 PolarHBondContact O-N 3.44Å
341	R	31.8	Very low	40.8	Very low	242 Å²	242	124.7 Å²	124.7	91%	0.913	71%	0.713	S	S	*	*			trans	-51.5	114.5	180	-69.6	-180	177	-175.3	-0.7	106.7	S339 R343	S339-R341 PolarHBondContact O-N 3.34Å; R341-R343 PolarHBondContact O-N 3.42Å
342	S	31.9	Very low	38.2	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	73%	0.732	S	S	*	*			trans	-53.9	110	169.5	59.1	0	0	0	0	105.9	P340 Q344	P340-S342 PolarHBondContact O-N 3.44Å; S342-Q344 PolarHBondContact O-N 3.37Å
343	R	33.3	Very low	35.5	Very low	230 Å²	230	129 Å²	129	87%	0.868	75%	0.748	S	S	*	*			trans	-56	109.8	170.4	-90.3	178.9	151.9	-178.1	-6.5	105.2	R341 D345	R341-R343 PolarHBondContact O-N 3.42Å; R343-D345 PolarHBondContact O-N 2.98Å; R343-D345 VanDerWaalsContact O-N 3.08Å
344	Q	31	Very low	33.5	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	77%	0.77	S	S	*	*			trans	-58.6	115.7	161.6	-75	-178	-21.3	0	0	104.9	S342 S346	S342-Q344 PolarHBondContact O-N 3.37Å; Q344-S346 PolarHBondContact O-N 3.44Å
345	D	31.9	Very low	32.4	Very low	163 Å²	163	129.1 Å²	129.1	87%	0.872	77%	0.767	S	S	*	*			trans	-56.1	88.5	171.1	-92.1	-33.3	0	0	0	108.7	R343 G347	R343-D345 PolarHBondContact O-N 2.98Å; R343-D345 VanDerWaalsContact O-N 3.08Å; D345-G347 PolarHBondContact O-N 3.09Å
346	S	33	Very low	31.4	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	78%	0.778	S	S	*	*			trans	-81.1	84.9	157.7	48.4	0	0	0	0	106.3	Q344 V348	Q344-S346 PolarHBondContact O-N 3.44Å; S346-V348 PolarHBondContact O-N 2.85Å
347	G	29.8	Very low	30.8	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	77%	0.774	S	S	*	*			trans	-56.1	128.8	170.9	0	0	0	0	0	110.8	D345	D345-G347 PolarHBondContact O-N 3.09Å
348	V	29.8	Very low	30.4	Very low	137 Å²	137	131 Å²	131	83%	0.83	77%	0.771	S	S	*	*			trans	-136.8	96.2	170.9	-177	0	0	0	0	108.7	S346	S346-V348 PolarHBondContact O-N 2.85Å
349	S	27	Very low	30.1	Very low	124 Å²	124	137.2 Å²	137.2	87%	0.867	78%	0.776	S	S	*	*			trans	163.3	132	144.5	-116.1	0	0	0	0	107.1
350	A	29	Very low	30.1	Very low	75 Å²	75	138.2 Å²	138.2	62%	0.62	78%	0.778	S	S	*	*			cis	-159.4	167.4	8.9	0	0	0	0	0	107.7
351	N	27.7	Very low	29.7	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	79%	0.787	S	S	*	*			trans	87.8	102	170.8	-49.9	-22.8	0	0	0	115.2
352	T	32.9	Very low	29.7	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	79%	0.785	S	S	*	*				-177.3	127.3	99.5	-66.3	0	0	0	0	109.4
353	V	24.9	Very low	29.4	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	79%	0.79	S	S	*	*			trans	-76	124.7	171.8	169.6	0	0	0	0	109.4
354	V	30.2	Very low	29.2	Very low	134 Å²	134	137.4 Å²	137.4	81%	0.812	79%	0.792	S	S	*	*			trans	-163.5	149.4	142.3	-114.1	0	0	0	0	111.7
355	P	38.4	Very low	29.1	Very low	107 Å²	107	133.4 Å²	133.4	70%	0.695	78%	0.784	S	S	*	*			trans	-107.3	166.1	-163.2	40.5	-31	0	0	0	114.4
356	N	27.8	Very low	28.9	Very low	146 Å²	146	131 Å²	131	78%	0.781	78%	0.775	S	S	*	*			trans	132.1	106.8	157.1	-85.7	-4.7	0	0	0	110.8
357	S	24.7	Very low	28.8	Very low	93 Å²	93	136.4 Å²	136.4	65%	0.65	78%	0.781	S	S	*	*				74.6	129.5	87.1	76.8	0	0	0	0	113.4
358	D	28.3	Very low	28.7	Very low	131 Å²	131	141 Å²	141	70%	0.701	78%	0.783	S	S	*	*			trans	101	96.7	166.4	-69.3	-33.2	0	0	0	120.3
359	R	27.2	Very low	28.8	Very low	215 Å²	215	137.9 Å²	137.9	81%	0.811	78%	0.778	S	S	*	*				75.4	131.6	113.4	-73.2	175.8	-171.1	-144.4	-4.4	121.1
360	T	27.9	Very low	28.9	Very low	127 Å²	127	139.8 Å²	139.8	78%	0.779	78%	0.779	S	S	*	*			trans	89.5	100.8	143.6	51.8	0	0	0	0	120.7
361	N	24.2	Very low	28.9	Very low	151 Å²	151	140.3 Å²	140.3	81%	0.807	78%	0.783	S	S	*	*				30.8	112.7	124	-74.7	-7.5	0	0	0	118.6
362	T	32.8	Very low	29.1	Very low	144 Å²	144	139 Å²	139	88%	0.883	78%	0.783	S	S	*	*			trans	-143.8	115.1	131.6	35.1	0	0	0	0	110.4
363	S	25.6	Very low	29	Very low	121 Å²	121	139.1 Å²	139.1	85%	0.846	78%	0.783	S	S	*	*			trans	-59.9	126.1	171.5	-40.9	0	0	0	0	111.1
364	R	29.6	Very low	29.1	Very low	241 Å²	241	138.1 Å²	138.1	91%	0.909	78%	0.779	S	S	*	*			trans	-137.8	95	159.7	-157.3	169.7	-175	173.6	0.5	111.2
365	S	29.1	Very low	29.3	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	77%	0.774	S	S	*	*			trans	19.9	108.8	149.5	-165.7	0	0	0	0	118.1	Y367	S365-Y367 PolarHBondContact O-N 2.77Å
366	T	26	Very low	28.8	Very low	113 Å²	113	135.8 Å²	135.8	69%	0.693	77%	0.772	S	S	*	*			trans	-36.1	106.7	154.7	-34.5	0	0	0	0	113.4	Q368	T366-Q368 HydrophobicContact CG2-CG 3.86Å
367	Y	31.8	Very low	28.8	Very low	218 Å²	218	135.8 Å²	135.8	86%	0.855	77%	0.767	S	S	*	*			trans	-103.3	95.7	145.7	-78.5	-82.5	0	0	0	105.7	S365 G369	S365-Y367 PolarHBondContact O-N 2.77Å; Y367-G369 PolarHBondContact O-N 3.09Å; Y367-G369 VanDerWaalsContact O-N 3.09Å
368	Q	28.3	Very low	28.8	Very low	171 Å²	171	137.6 Å²	137.6	80%	0.799	78%	0.777	S	S	*	*			trans	-60.7	109.7	166.9	-91.6	169.5	-11.4	0	0	106.7	T366 D370	T366-Q368 HydrophobicContact CG2-CG 3.86Å; Q368-D370 PolarHBondContact O-N 3.38Å
369	G	31.6	Very low	28.6	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.1	130.7	172.2	0	0	0	0	0	109.4	Y367 A371	Y367-G369 PolarHBondContact O-N 3.09Å; Y367-G369 VanDerWaalsContact O-N 3.09Å; G369-A371 PolarHBondContact O-N 3.16Å
370	D	29.4	Very low	28.5	Very low	164 Å²	164	132.8 Å²	132.8	88%	0.877	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-50.1	121.8	173.6	-71.5	-48	0	0	0	110.1	Q368	Q368-D370 PolarHBondContact O-N 3.38Å
371	A	29.3	Very low	28.2	Very low	86 Å²	86	133 Å²	133	71%	0.711	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-62.2	133	175.4	0	0	0	0	0	109.6	G369 V373	G369-A371 PolarHBondContact O-N 3.16Å; A371-V373 PolarHBondContact O-N 3.46Å
372	P	31.5	Very low	28.2	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.5	121.4	-179.5	26.4	-32.5	0	0	0	110.5
373	V	30.3	Very low	27.8	Very low	135 Å²	135	133.5 Å²	133.5	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.8	130.4	172.8	180	0	0	0	0	109	A371 S375	A371-V373 PolarHBondContact O-N 3.46Å; V373-S375 PolarHBondContact O-N 3.39Å
374	P	27.6	Very low	27.9	Very low	115 Å²	115	131.4 Å²	131.4	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69.5	123	-174.9	-10.2	24.7	0	0	0	110.6	S376	P374-S376 PolarHBondContact O-N 3.3Å
375	S	35	Very low	27.7	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.8	123.6	164.1	-177.9	0	0	0	0	108.1	V373 Q377	V373-S375 PolarHBondContact O-N 3.39Å; S375-Q377 PolarHBondContact O-N 3.47Å
376	S	27.5	Very low	27.7	Very low	92 Å²	92	131.2 Å²	131.2	64%	0.643	77%	0.77	S	S	*	*	S	Bend	trans	-74.6	50.1	-174.1	50.1	0	0	0	0	113.9	P374	P374-S376 PolarHBondContact O-N 3.3Å
377	Q	27.2	Very low	27.8	Very low	145 Å²	145	132 Å²	132	68%	0.678	77%	0.77	S	S	*	*	S	Bend	trans	-135.1	127.7	157.2	-73.4	-166.9	-10.4	0	0	109	S375 T379	S375-Q377 PolarHBondContact O-N 3.47Å; Q377-T379 PolarHBondContact O-N 3.42Å; Q377-T379 VanDerWaalsContact O-N 3.12Å
378	P	24.6	Very low	27.7	Very low	132 Å²	132	126.9 Å²	126.9	86%	0.857	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-63.6	116.6	-179.1	24.2	-29.8	0	0	0	109.8
379	T	25	Very low	27.8	Very low	124 Å²	124	125.2 Å²	125.2	76%	0.761	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-82.9	119.5	168.3	-9.6	0	0	0	0	107.1	Q377 V381	Q377-T379 PolarHBondContact O-N 3.42Å; Q377-T379 VanDerWaalsContact O-N 3.12Å; T379-V381 PolarHBondContact O-N 2.98Å
380	P	24.7	Very low	27.6	Very low	120 Å²	120	126.9 Å²	126.9	78%	0.779	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-63.4	120.9	176.5	-15.4	28.3	0	0	0	109.2	C382	P380-C382 PolarHBondContact O-N 2.77Å
381	V	22	Very low	27.6	Very low	132 Å²	132	124.2 Å²	124.2	80%	0.8	74%	0.738	S	S	*	*			trans	-78.9	101.1	176.8	-172.8	0	0	0	0	107.7	T379	T379-V381 PolarHBondContact O-N 2.98Å
382	C	23.2	Very low	27.4	Very low	112 Å²	112	126.9 Å²	126.9	76%	0.757	74%	0.74	S	S	*	*			trans	-127.1	115.6	156.5	57.9	0	0	0	0	109.1	P380 A384	P380-C382 PolarHBondContact O-N 2.77Å; C382-A384 PolarHBondContact O-N 2.84Å; C382-A384 VanDerWaalsContact O-N 3.1Å
383	H	24.4	Very low	27.1	Very low	194 Å²	194	127.4 Å²	127.4	90%	0.898	74%	0.735	S	S	*	*			trans	-67.5	99.9	173	-83	-81.7	0	0	0	109.4
384	A	27.2	Very low	26.7	Very low	77 Å²	77	128.1 Å²	128.1	64%	0.636	73%	0.73	S	S	*	*			trans	-144.9	133.6	155.2	0	0	0	0	0	107.6	C382 L386	C382-A384 PolarHBondContact O-N 2.84Å; C382-A384 VanDerWaalsContact O-N 3.1Å; A384-L386 PolarHBondContact O-N 2.93Å
385	Q	26.3	Very low	26.7	Very low	188 Å²	188	127.5 Å²	127.5	88%	0.879	72%	0.72	S	S	*	*			trans	-50.1	101.9	-179.5	-76.7	149	-80.2	0	0	110.2	D387	Q385-D387 PolarHBondContact O-N 3.28Å
386	L	28.9	Very low	26.2	Very low	141 Å²	141	126 Å²	126	74%	0.738	71%	0.709	S	S	*	*			trans	-92.8	101.1	-175.6	-153.5	64.5	0	0	0	108.1	A384 I390	A384-L386 PolarHBondContact O-N 2.93Å; L386-I390 HydrophobicContact CD2-CD1 3.32Å; L386-I390 HydrophobicContact CD2-CG1 4.37Å; L386-I390 HydrophobicContact CG-CD1 4.06Å
387	D	27.7	Very low	26.3	Very low	130 Å²	130	123 Å²	123	70%	0.695	69%	0.685	S	S	*	*			trans	-55.5	153.1	175.8	-78.6	-39.6	0	0	0	111.8	Q385 I389	Q385-D387 PolarHBondContact O-N 3.28Å; D387-I389 PolarHBondContact O-N 3Å
388	S	31	Very low	26.2	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	39.3	-167.1	55	0	0	0	0	117
389	I	29.8	Very low	26.6	Very low	137 Å²	137	115.1 Å²	115.1	70%	0.703	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-6.1	-175.7	-58.4	178	0	0	0	112.9	D387 N391	D387-I389 PolarHBondContact O-N 3Å; I389-N391 PolarHBondContact O-N 2.84Å; I389-N391 VanDerWaalsContact O-N 3.13Å
390	I	28.1	Very low	27	Very low	106 Å²	106	112.9 Å²	112.9	54%	0.544	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-68.7	-12.7	179.8	-63.7	166	0	0	0	113.8	L386 D392	L386-I390 HydrophobicContact CD2-CD1 3.32Å; L386-I390 HydrophobicContact CD2-CG1 4.37Å; L386-I390 HydrophobicContact CG-CD1 4.06Å; I390-D392 PolarHBondContact O-N 3.27Å
391	N	27.5	Very low	27.3	Very low	108 Å²	108	110 Å²	110	58%	0.578	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-80.6	-5.9	-176.3	-85.9	-7.9	0	0	0	116	I389	I389-N391 PolarHBondContact O-N 2.84Å; I389-N391 VanDerWaalsContact O-N 3.13Å
392	D	25.3	Very low	28.1	Very low	142 Å²	142	107.1 Å²	107.1	76%	0.759	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-104.2	41.4	178.5	-75.6	-25.6	0	0	0	113.4	I390 H394	I390-D392 PolarHBondContact O-N 3.27Å; D392-H394 PolarHBondContact O-N 2.92Å
393	L	24.9	Very low	28.6	Very low	135 Å²	135	103 Å²	103	71%	0.707	57%	0.568	S	S	*	*			trans	-73	51.2	172.9	-133.7	102.1	0	0	0	112.4	L395	L393-L395 PolarHBondContact O-N 3.2Å
394	H	23.6	Very low	29.1	Very low	151 Å²	151	94.9 Å²	94.9	70%	0.699	53%	0.531	S	S	*	.			trans	-89.6	90.7	171.9	-81.1	-96.2	0	0	0	109.3	D392 S396	D392-H394 PolarHBondContact O-N 2.92Å; H394-S396 PolarHBondContact O-N 2.92Å
395	L	27.5	Very low	29.4	Very low	102 Å²	102	92.9 Å²	92.9	53%	0.534	51%	0.509	S	S	.	.			trans	-65.1	19.8	172.6	-66.7	167.9	0	0	0	113.5	L393 R428	L393-L395 PolarHBondContact O-N 3.2Å; L395-R428 VanDerWaalsContact C-NH1 3.3Å; L395-R428 VanDerWaalsContact CB-NH1 3.32Å; L395-R428 VanDerWaalsContact CD2-NH1 3.27Å; L395-R428 VanDerWaalsContact CD2-NH2 3.33Å; L395-R428 WeakPolarHBondContact O-CD 3.47Å; L395-R428 PolarHBondContact O-NH1 3.42Å
396	S	24.6	Very low	29.7	Very low	68 Å²	68	86.8 Å²	86.8	48%	0.476	48%	0.481	S	S	.	.			trans	-75.3	136.6	-172.3	51.4	0	0	0	0	112.4	H394	H394-S396 PolarHBondContact O-N 2.92Å
397	Q	29.4	Very low	29.7	Very low	28 Å²	28	84.4 Å²	84.4	13%	0.131	48%	0.482	C	S	.	.			trans	-43.9	154.9	153.6	-65.3	174.7	-0	0	0	110.4	P148 A399 R428	P148-Q397 VanDerWaalsContact O-CD 3.29Å; P148-Q397 PolarHBondContact O-NE2 3.23Å; P148-Q397 PolarHBondContact O-OE1 3.34Å; Q397-A399 PolarHBondContact O-N 2.92Å; Q397-A399 VanDerWaalsContact O-N 3.16Å; Q397-R428 HydrophobicContact CG-CB 3.7Å
398	P	25.3	Very low	29.9	Very low	51 Å²	51	82.8 Å²	82.8	33%	0.331	48%	0.48	S	S	.	.			trans	-58.9	130.3	172.4	22.1	-26.1	0	0	0	108.5	D400 S424	P398-D400 PolarHBondContact O-N 3.26Å; P398-D400 VanDerWaalsContact O-N 3.13Å; P398-S424 WeakPolarHBondContact CD-O 3.41Å; P398-S424 WeakPolarHBondContact CG-O 3.32Å
399	A	32.7	Very low	29.6	Very low	62 Å²	62	85.3 Å²	85.3	51%	0.512	48%	0.48	S	S	.	.	S	Bend	trans	-63.2	-20.9	-171.9	0	0	0	0	0	111.3	K201 Q397	K201-A399 WeakPolarHBondContact CD-O 3.43Å; K201-A399 WeakPolarHBondContact CE-O 3.35Å; K201-A399 PolarHBondContact NZ-O 2.82Å; Q397-A399 PolarHBondContact O-N 2.92Å; Q397-A399 VanDerWaalsContact O-N 3.16Å
400	D	32.6	Very low	29.5	Very low	77 Å²	77	86.9 Å²	86.9	41%	0.412	49%	0.487	S	S	.	.			trans	-87.3	140.3	-165.4	-158.5	6.3	0	0	0	114.6	P398 D402 S403	P398-D400 PolarHBondContact O-N 3.26Å; P398-D400 VanDerWaalsContact O-N 3.13Å; D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 3.33Å; D400-S403 CarbonylContact O-C 3.56Å; D400-S403 VanDerWaalsContact O-C 3.24Å; D400-S403 VanDerWaalsContact O-CA 3.27Å; D400-S403 WeakPolarHBondContact O-CA 3.48Å; D400-S403 VanDerWaalsContact O-CB 3.28Å; D400-S403 WeakPolarHBondContact O-CB 3.39Å; D400-S403 PolarHBondContact O-N 2.72Å
401	T	32.1	Very low	29.4	Very low	58 Å²	58	89.5 Å²	89.5	36%	0.356	51%	0.507	S	S	.	.	S	Bend	trans	-64.7	-31.5	174.5	33	0	0	0	0	112	S403 M404	T401-S403 PolarHBondContact O-N 3.21Å; T401-M404 PolarHBondContact O-N 2.72Å; T401-M404 VanDerWaalsContact O-N 3.09Å
402	D	38.4	Very low	29.4	Very low	73 Å²	73	87.3 Å²	87.3	39%	0.39	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-65	-28.6	171.4	-71.7	-26.8	0	0	0	111.3	K79 D400 M404 C425	K79-D402 WeakPolarHBondContact CG-OD1 3.37Å; D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 3.33Å; D402-M404 VanDerWaalsContact C-N 3.25Å; D402-M404 PolarHBondContact O-N 2.72Å; D402-C425 PolarHBondContact O-SG 3.21Å; D402-C425 VanDerWaalsContact O-SG 3.39Å
403	S	32.8	Very low	29.4	Very low	25 Å²	25	88 Å²	88	18%	0.175	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-87.1	38.5	169.5	-56.8	0	0	0	0	112.1	D400 T401 S424 C425	D400-S403 CarbonylContact O-C 3.56Å; D400-S403 VanDerWaalsContact O-C 3.24Å; D400-S403 VanDerWaalsContact O-CA 3.27Å; D400-S403 WeakPolarHBondContact O-CA 3.48Å; D400-S403 VanDerWaalsContact O-CB 3.28Å; D400-S403 WeakPolarHBondContact O-CB 3.39Å; D400-S403 PolarHBondContact O-N 2.72Å; T401-S403 PolarHBondContact O-N 3.21Å; S403-S424 PolarHBondContact OG-OG 2.79Å; S403-C425 VanDerWaalsContact C-CA 3.45Å; S403-C425 WeakPolarHBondContact CA-SG 3.35Å; S403-C425 WeakPolarHBondContact O-CA 3.22Å
404	M	34.3	Very low	29.6	Very low	24 Å²	24	88 Å²	88	12%	0.118	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-132.1	-16.2	166.8	-73.8	-173.5	63	0	0	113.5	L146 P148 T401 D402 M406 C425	L146-M404 HydrophobicContact CD2-CE 3.98Å; P148-M404 HydrophobicContact CB-CE 3.93Å; P148-M404 HydrophobicContact CB-SD 3.74Å; T401-M404 PolarHBondContact O-N 2.72Å; T401-M404 VanDerWaalsContact O-N 3.09Å; D402-M404 VanDerWaalsContact C-N 3.25Å; D402-M404 PolarHBondContact O-N 2.72Å; M404-M406 PolarHBondContact O-N 2.9Å; M404-C425 VanDerWaalsContact C-CB 3.46Å; M404-C425 PolarHBondContact N-SG 3.3Å; M404-C425 VanDerWaalsContact N-SG 3.38Å
405	L	34	Very low	30.1	Very low	35 Å²	35	86.5 Å²	86.5	18%	0.183	51%	0.51	C	S	.	.			trans	-84.7	114.9	-174.6	-62.6	172.5	0	0	0	110.6	V74 K79 A407 C425	V74-L405 HydrophobicContact CB-CD2 4.27Å; V74-L405 HydrophobicContact CG1-CD2 3.72Å; V74-L405 HydrophobicContact CG2-CD2 3.65Å; K79-L405 HydrophobicContact CD-CD1 4.01Å; L405-A407 PolarHBondContact O-N 3.03Å; L405-C425 PolarHBondContact N-SG 3.15Å; L405-C425 PolarHBondContact O-SG 2.95Å
406	M	34.1	Very low	30.2	Very low	59 Å²	59	92.3 Å²	92.3	29%	0.291	53%	0.526	S	S	.	.			trans	-66.1	115.6	160.6	-72.2	-76.7	95.8	0	0	107.7	M404 S408 C425 L426	M404-M406 PolarHBondContact O-N 2.9Å; M406-S408 PolarHBondContact O-N 3.46Å; M406-C425 HydrophobicContact CE-CB 3.51Å; M406-L426 HydrophobicContact CE-CD2 4.02Å; M406-L426 HydrophobicContact CE-CG 4.2Å; M406-L426 HydrophobicContact SD-CD2 4.26Å
407	A	27.6	Very low	30.4	Very low	91 Å²	91	93.1 Å²	93.1	75%	0.752	53%	0.528	S	S	*	.			trans	-68.4	70.2	167.1	0	0	0	0	0	109.6	L405	L405-A407 PolarHBondContact O-N 3.03Å
408	S	31.6	Very low	30.3	Very low	96 Å²	96	99 Å²	99	67%	0.671	55%	0.554	S	S	*	*			trans	-94.8	109.6	158.9	174.9	0	0	0	0	105.1	M406	M406-S408 PolarHBondContact O-N 3.46Å
409	Q	26.1	Very low	30.5	Very low	163 Å²	163	104.4 Å²	104.4	76%	0.762	58%	0.58	S	S	*	*			trans	94.3	75.1	-179.7	-52.4	177.3	-22.6	0	0	115.7
410	M	26.2	Very low	30.2	Very low	171 Å²	171	112.5 Å²	112.5	84%	0.842	60%	0.597	S	S	*	*			trans	-138.6	101.7	144.5	-79.1	-73.9	91.6	0	0	108.3
411	V	26.6	Very low	30.2	Very low	161 Å²	161	112.5 Å²	112.5	98%	0.976	60%	0.597	S	S	*	*			trans	-89.6	99.9	156.5	175.7	0	0	0	0	104.3
412	G	27.6	Very low	30.2	Very low	61 Å²	61	112 Å²	112	63%	0.629	60%	0.603	S	S	*	*	S	Bend	trans	174.9	114.4	-178.4	0	0	0	0	0	111.4	I414	G412-I414 PolarHBondContact O-N 3.4Å
413	D	25.9	Very low	30	Very low	157 Å²	157	111 Å²	111	84%	0.84	60%	0.595	S	S	*	*			trans	-57.3	107.7	-174	-67.6	-44.6	0	0	0	114.1
414	I	28.9	Very low	29.9	Very low	134 Å²	134	111.2 Å²	111.2	69%	0.687	60%	0.596	S	S	*	*			trans	-146.2	98.5	149.6	-56.1	-177	0	0	0	108.2	G412 Y416	G412-I414 PolarHBondContact O-N 3.4Å; I414-Y416 PolarHBondContact O-N 3.05Å; I414-Y416 VanDerWaalsContact O-N 3.1Å
415	D	33.5	Very low	30.2	Very low	120 Å²	120	110.5 Å²	110.5	64%	0.642	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	4.3	-171.8	-92.4	-30.2	0	0	0	116.3	K418	D415-K418 IonicContact OD1-NZ 3.95Å; D415-K418 PolarHBondContact OD1-NZ 2.96Å
416	Y	29.5	Very low	30.4	Very low	224 Å²	224	109.5 Å²	109.5	88%	0.878	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	1.9	-176.1	-120.4	-92.7	0	0	0	115.8	I414	I414-Y416 PolarHBondContact O-N 3.05Å; I414-Y416 VanDerWaalsContact O-N 3.1Å
417	V	29.5	Very low	30.9	Very low	85 Å²	85	108 Å²	108	52%	0.515	58%	0.581	S	S	.	*	S	Bend	trans	-116.8	-1.9	-173.4	-177.5	0	0	0	0	113.5	D419 L421	V417-D419 PolarHBondContact O-N 3.34Å; V417-L421 HydrophobicContact CG1-CD1 3.18Å
418	K	27.9	Very low	31.9	Very low	153 Å²	153	106 Å²	106	67%	0.665	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-31.7	-177.2	-81.8	172.9	-179.5	155.9	0	114.8	D415	D415-K418 IonicContact OD1-NZ 3.95Å; D415-K418 PolarHBondContact OD1-NZ 2.96Å
419	D	29.2	Very low	33.4	Very low	164 Å²	164	102.3 Å²	102.3	88%	0.877	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-8.9	-168.4	-76.5	-10.2	0	0	0	115.9	V417	V417-D419 PolarHBondContact O-N 3.34Å
420	R	26.7	Very low	35.3	Very low	232 Å²	232	98.8 Å²	98.8	88%	0.875	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-7.6	-178.9	-69.4	-160	-165.3	-157.6	6	116.6
421	L	30.9	Very low	37.9	Very low	77 Å²	77	90.8 Å²	90.8	40%	0.403	47%	0.471	S	S	.	.			trans	-94.2	3.6	178.6	-85.6	117.3	0	0	0	114.6	V417 F423	V417-L421 HydrophobicContact CG1-CD1 3.18Å; L421-F423 PolarHBondContact O-N 2.83Å
422	G	33.3	Very low	40.7	Very low	47 Å²	47	83.9 Å²	83.9	49%	0.485	43%	0.427	S	S	.	.	S	Bend	trans	-66.5	118	173.6	0	0	0	0	0	111.4	S424	G422-S424 VanDerWaalsContact C-N 3.3Å; G422-S424 PolarHBondContact O-N 2.8Å
423	F	33	Very low	43.6	Very low	51 Å²	51	81.2 Å²	81.2	22%	0.224	40%	0.399	C	S	.	.	S	Bend	trans	70.9	-20	165.2	-46.9	-78.1	0	0	0	119.6	L421 C425 L426 F434 L488 Y529	L421-F423 PolarHBondContact O-N 2.83Å; F423-C425 PolarHBondContact O-N 3.29Å; F423-C425 VanDerWaalsContact O-N 3.09Å; F423-L426 PolarHBondContact O-N 2.88Å; F423-F434 AromaticContact CD1-CE1 3.94Å; F423-F434 HydrophobicContact CD1-CE1 3.94Å; F423-F434 AromaticContact CD1-CZ 3.78Å; F423-F434 HydrophobicContact CD1-CZ 3.78Å; F423-F434 AromaticContact CE1-CE1 3.59Å; F423-F434 HydrophobicContact CE1-CE1 3.59Å; F423-F434 AromaticContact CE1-CZ 3.93Å; F423-F434 HydrophobicContact CE1-CZ 3.93Å; F423-F434 HydrophobicContact CZ-CE1 4.48Å; F423-L488 HydrophobicContact CD1-CD1 3.69Å; F423-L488 HydrophobicContact CE1-CB 3.69Å; F423-L488 HydrophobicContact CE1-CD1 3.41Å; F423-L488 VanDerWaalsContact CE1-CD1 3.41Å; F423-L488 HydrophobicContact CE1-CG 4.15Å; F423-L488 HydrophobicContact CZ-CB 4.13Å; F423-Y529 HydrophobicContact CB-CD2 3.58Å; F423-Y529 HydrophobicContact CB-CE2 3.79Å; F423-Y529 HydrophobicContact CG-CD2 4.45Å; F423-Y529 WeakPolarHBondContact O-CE2 3.47Å
424	S	31.6	Very low	46.7	Very low	30 Å²	30	73.8 Å²	73.8	21%	0.21	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.5	179.2	59.5	0	0	0	0	112.4	P398 S403 G422 L426	P398-S424 WeakPolarHBondContact CD-O 3.41Å; P398-S424 WeakPolarHBondContact CG-O 3.32Å; S403-S424 PolarHBondContact OG-OG 2.79Å; G422-S424 VanDerWaalsContact C-N 3.3Å; G422-S424 PolarHBondContact O-N 2.8Å; S424-L426 PolarHBondContact O-N 2.94Å
425	C	39.9	Very low	49.7	Very low	9 Å²	9	67.7 Å²	67.7	6%	0.061	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-3.8	-176	-61.4	0	0	0	0	119.1	D402 S403 M404 L405 M406 F423	D402-C425 PolarHBondContact O-SG 3.21Å; D402-C425 VanDerWaalsContact O-SG 3.39Å; S403-C425 VanDerWaalsContact C-CA 3.45Å; S403-C425 WeakPolarHBondContact CA-SG 3.35Å; S403-C425 WeakPolarHBondContact O-CA 3.22Å; M404-C425 VanDerWaalsContact C-CB 3.46Å; M404-C425 PolarHBondContact N-SG 3.3Å; M404-C425 VanDerWaalsContact N-SG 3.38Å; L405-C425 PolarHBondContact N-SG 3.15Å; L405-C425 PolarHBondContact O-SG 2.95Å; M406-C425 HydrophobicContact CE-CB 3.51Å; F423-C425 PolarHBondContact O-N 3.29Å; F423-C425 VanDerWaalsContact O-N 3.09Å
426	L	39	Very low	52.6	Low	14 Å²	14	64.5 Å²	64.5	7%	0.073	32%	0.319	C	S	.	.	S	Bend	trans	-96.3	122.3	-169.4	-65.9	167.3	0	0	0	111.4	M406 F423 S424 R428 L493 Y529	M406-L426 HydrophobicContact CE-CD2 4.02Å; M406-L426 HydrophobicContact CE-CG 4.2Å; M406-L426 HydrophobicContact SD-CD2 4.26Å; F423-L426 PolarHBondContact O-N 2.88Å; S424-L426 PolarHBondContact O-N 2.94Å; L426-R428 PolarHBondContact O-N 2.94Å; L426-R428 VanDerWaalsContact O-N 3.16Å; L426-L493 HydrophobicContact CD1-CD2 3.48Å; L426-L493 VanDerWaalsContact CD1-CD2 3.48Å; L426-L493 HydrophobicContact CD2-CD2 3.82Å; L426-L493 HydrophobicContact CG-CD2 4.29Å; L426-Y529 WeakPolarHBondContact CB-OH 3.37Å; L426-Y529 PolarHBondContact O-OH 2.98Å; L426-Y529 VanDerWaalsContact O-OH 3.13Å
427	M	44.3	Very low	55.7	Low	28 Å²	28	55.6 Å²	55.6	14%	0.138	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-47.9	126.4	165.6	-76.7	-179.1	65.3	0	0	110.3	G150 R429 R432	G150-M427 VanDerWaalsContact CA-CE 3.42Å; M427-R429 PolarHBondContact O-N 2.75Å; M427-R432 PolarHBondContact O-NH1 2.99Å
428	R	48.9	Very low	58.5	Low	48 Å²	48	57 Å²	57	18%	0.181	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-62.3	119.1	175.6	176.6	165.1	-174.6	167.4	8.2	108.8	L395 Q397 L426 I532 L533	L395-R428 VanDerWaalsContact C-NH1 3.3Å; L395-R428 VanDerWaalsContact CB-NH1 3.32Å; L395-R428 VanDerWaalsContact CD2-NH1 3.27Å; L395-R428 VanDerWaalsContact CD2-NH2 3.33Å; L395-R428 WeakPolarHBondContact O-CD 3.47Å; L395-R428 PolarHBondContact O-NH1 3.42Å; Q397-R428 HydrophobicContact CG-CB 3.7Å; L426-R428 PolarHBondContact O-N 2.94Å; L426-R428 VanDerWaalsContact O-N 3.16Å; R428-I532 PolarHBondContact NH1-O 2.76Å; R428-I532 PolarHBondContact NH2-O 3.48Å; R428-L533 HydrophobicContact CB-CD2 4.35Å; R428-L533 HydrophobicContact CG-CD2 3.6Å; R428-L533 VanDerWaalsContact NH2-C 3.33Å; R428-L533 PolarHBondContact NH2-O 3.14Å
429	R	63.3	Low	61.6	Low	20 Å²	20	51.6 Å²	51.6	8%	0.075	28%	0.281	C	S	.	.			trans	-137.4	138	177.3	-70	-172.6	174.5	154.1	1.7	109.8	L62 E154 M427 T431 R432 D495	L62-R429 PolarHBondContact O-NH2 2.83Å; E154-R429 IonicContact OE1-CZ 3.8Å; E154-R429 IonicContact OE1-NE 3.47Å; E154-R429 PolarHBondContact OE1-NE 3.44Å; E154-R429 VanDerWaalsContact OE1-NE 3.12Å; E154-R429 IonicContact OE2-NE 3.39Å; E154-R429 PolarHBondContact OE2-NE 2.82Å; M427-R429 PolarHBondContact O-N 2.75Å; R429-T431 PolarHBondContact O-N 2.95Å; R429-R432 HydrophobicContact CB-CG 4.16Å; R429-D495 IonicContact NH1-OD1 3.25Å
430	M	66.1	Low	64.6	Low	88 Å²	88	44.5 Å²	44.5	43%	0.433	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.3	176	-65.7	-163.9	71	0	0	113.2	Y510 L534	M430-Y510 WeakPolarHBondContact O-CE1 3.47Å; M430-Y510 PolarHBondContact O-OH 2.74Å; M430-L534 HydrophobicContact CE-CD2 4.3Å
431	T	80.2	Confident	67.8	Low	4 Å²	4	39.5 Å²	39.5	3%	0.025	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	22.9	-177.6	59.7	0	0	0	0	113.9	R429 C496 F506 H507 Y510	R429-T431 PolarHBondContact O-N 2.95Å; T431-C496 WeakPolarHBondContact CB-O 3.31Å; T431-C496 WeakPolarHBondContact O-CB 3.38Å; T431-C496 PolarHBondContact O-N 2.75Å; T431-C496 PolarHBondContact OG1-O 3.1Å; T431-F506 HydrophobicContact CG2-CE1 3.79Å; T431-F506 HydrophobicContact CG2-CZ 3.81Å; T431-H507 WeakPolarHBondContact CG2-CD2 3.18Å; T431-Y510 VanDerWaalsContact CA-CZ 3.42Å; T431-Y510 HydrophobicContact CG2-CD1 3.87Å; T431-Y510 HydrophobicContact CG2-CD2 4.43Å; T431-Y510 HydrophobicContact CG2-CE1 4.18Å; T431-Y510 HydrophobicContact CG2-CG 4.02Å; T431-Y510 WeakPolarHBondContact O-CE2 3.37Å
432	R	84.8	Confident	70.8	Confident	16 Å²	16	39.7 Å²	39.7	6%	0.06	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.5	178.2	-74.8	178	177.2	-177.2	-13.2	110.6	M427 R429 L493 V494 D495	M427-R432 PolarHBondContact O-NH1 2.99Å; R429-R432 HydrophobicContact CB-CG 4.16Å; R432-L493 HydrophobicContact CB-CD1 4.29Å; R432-V494 WeakPolarHBondContact CA-O 3.25Å; R432-D495 HydrophobicContact CG-CB 4.23Å; R432-D495 WeakPolarHBondContact CG-OD1 3.36Å; R432-D495 IonicContact CZ-OD1 3.54Å; R432-D495 IonicContact CZ-OD2 3.32Å; R432-D495 IonicContact NE-OD1 2.84Å; R432-D495 PolarHBondContact NE-OD1 2.97Å; R432-D495 IonicContact NE-OD2 2.72Å; R432-D495 PolarHBondContact NE-OD2 3.42Å; R432-D495 IonicContact NH2-OD1 3.42Å; R432-D495 IonicContact NH2-OD2 2.74Å; R432-D495 PolarHBondContact NH2-OD2 3.31Å
433	F	88.4	Confident	73.8	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.1	173.4	64.9	-85.5	0	0	0	110.9	I447 V494 Y510 Y514 L517 V523	F433-I447 HydrophobicContact CZ-CD1 4.4Å; F433-V494 HydrophobicContact CD1-CB 4.08Å; F433-V494 HydrophobicContact CD1-CG1 4.29Å; F433-V494 HydrophobicContact CD2-CB 4.15Å; F433-V494 HydrophobicContact CD2-CG2 4.25Å; F433-V494 HydrophobicContact CE1-CB 3.74Å; F433-V494 HydrophobicContact CE1-CG1 3.53Å; F433-V494 HydrophobicContact CE1-CG2 4.5Å; F433-V494 HydrophobicContact CE2-CB 3.8Å; F433-V494 HydrophobicContact CE2-CG1 4.18Å; F433-V494 HydrophobicContact CE2-CG2 3.7Å; F433-V494 HydrophobicContact CG-CB 4.29Å; F433-V494 HydrophobicContact CZ-CB 3.59Å; F433-V494 HydrophobicContact CZ-CG1 3.47Å; F433-V494 VanDerWaalsContact CZ-CG1 3.47Å; F433-V494 HydrophobicContact CZ-CG2 3.85Å; F433-V494 PolarHBondContact N-O 3.28Å; F433-V494 VanDerWaalsContact N-O 3.08Å; F433-V494 PolarHBondContact O-N 3.02Å; F433-Y510 HydrophobicContact CD1-CE2 4.15Å; F433-Y510 HydrophobicContact CE1-CE2 4.19Å; F433-Y514 HydrophobicContact CB-CD2 4.23Å; F433-Y514 HydrophobicContact CB-CE2 3.68Å; F433-Y514 AromaticContact CD1-CD2 3.92Å; F433-Y514 HydrophobicContact CD1-CD2 3.92Å; F433-Y514 HydrophobicContact CD1-CE2 4.25Å; F433-Y514 HydrophobicContact CE1-CD2 4.45Å; F433-Y514 HydrophobicContact CG-CD2 4.05Å; F433-Y514 AromaticContact CG-CE2 3.93Å; F433-Y514 HydrophobicContact CG-CE2 3.93Å; F433-L517 HydrophobicContact CE1-CD1 4.37Å; F433-L517 HydrophobicContact CE2-CD1 4.23Å; F433-L517 HydrophobicContact CZ-CD1 3.61Å; F433-V523 HydrophobicContact CB-CG1 4.21Å; F433-V523 HydrophobicContact CD2-CB 4.36Å; F433-V523 HydrophobicContact CD2-CG1 4Å; F433-V523 HydrophobicContact CD2-CG2 3.82Å; F433-V523 HydrophobicContact CE2-CG2 3.94Å; F433-V523 HydrophobicContact CG-CG1 4.42Å
434	F	91.2	Very high	76.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.8	173.9	-74.2	-89	0	0	0	109.8	F423 L488 I492 L493 N524 H527 Y529	F423-F434 AromaticContact CD1-CE1 3.94Å; F423-F434 HydrophobicContact CD1-CE1 3.94Å; F423-F434 AromaticContact CD1-CZ 3.78Å; F423-F434 HydrophobicContact CD1-CZ 3.78Å; F423-F434 AromaticContact CE1-CE1 3.59Å; F423-F434 HydrophobicContact CE1-CE1 3.59Å; F423-F434 AromaticContact CE1-CZ 3.93Å; F423-F434 HydrophobicContact CE1-CZ 3.93Å; F423-F434 HydrophobicContact CZ-CE1 4.48Å; F434-L488 HydrophobicContact CE1-CD1 4.42Å; F434-I492 CarbonylContact C-O 3.58Å; F434-I492 WeakPolarHBondContact CA-O 3.37Å; F434-L493 HydrophobicContact CD1-CB 4.42Å; F434-L493 HydrophobicContact CD2-CD1 4.39Å; F434-L493 HydrophobicContact CE1-CB 4Å; F434-L493 HydrophobicContact CE1-CD1 4.12Å; F434-L493 HydrophobicContact CE2-CD1 3.88Å; F434-L493 HydrophobicContact CZ-CB 4.42Å; F434-L493 HydrophobicContact CZ-CD1 3.77Å; F434-N524 HydrophobicContact CB-CB 4.06Å; F434-N524 PolarHBondContact O-N 2.87Å; F434-H527 HydrophobicContact CB-CB 3.93Å; F434-H527 AromaticContact CD1-CD2 3.69Å; F434-H527 AromaticContact CD1-CE1 3.77Å; F434-H527 AromaticContact CD1-CG 3.97Å; F434-H527 AromaticContact CD1-NE2 3.57Å; F434-H527 HydrophobicContact CD2-CB 4.01Å; F434-H527 AromaticContact CD2-CE1 3.88Å; F434-H527 AromaticContact CD2-CG 3.59Å; F434-H527 AromaticContact CD2-ND1 3.38Å; F434-H527 WeakPolarHBondContact CD2-ND1 3.43Å; F434-H527 AromaticContact CE1-CE1 3.51Å; F434-H527 AromaticContact CE1-NE2 3.6Å; F434-H527 AromaticContact CE2-CE1 3.65Å; F434-H527 AromaticContact CE2-ND1 3.45Å; F434-H527 WeakPolarHBondContact CE2-ND1 3.36Å; F434-H527 HydrophobicContact CG-CB 4.01Å; F434-H527 AromaticContact CG-CD2 3.66Å; F434-H527 AromaticContact CG-CE1 3.93Å; F434-H527 AromaticContact CG-CG 3.5Å; F434-H527 AromaticContact CG-ND1 3.68Å; F434-H527 AromaticContact CG-NE2 3.93Å; F434-H527 AromaticContact CZ-CE1 3.44Å; F434-H527 VanDerWaalsContact CZ-CE1 3.44Å; F434-H527 WeakPolarHBondContact CZ-CE1 3.46Å; F434-H527 AromaticContact CZ-ND1 3.76Å; F434-Y529 AromaticContact CE2-CD1 3.64Å; F434-Y529 HydrophobicContact CE2-CD1 3.64Å; F434-Y529 AromaticContact CE2-CG 3.8Å; F434-Y529 HydrophobicContact CE2-CG 3.8Å; F434-Y529 HydrophobicContact CZ-CD1 4.21Å; F434-Y529 HydrophobicContact CZ-CG 4.13Å
435	S	93.5	Very high	79.8	Confident	6 Å²	6	40.8 Å²	40.8	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	138.9	171.3	-168.6	0	0	0	0	109.7	L437 T443 I492 A522	S435-L437 VanDerWaalsContact C-N 3.29Å; S435-L437 WeakPolarHBondContact OG-CB 3.31Å; S435-L437 PolarHBondContact OG-N 3.01Å; S435-L437 VanDerWaalsContact OG-N 3.15Å; S435-T443 VanDerWaalsContact OG-CG2 3.31Å; S435-T443 WeakPolarHBondContact OG-CG2 3.37Å; S435-T443 PolarHBondContact OG-OG1 3.34Å; S435-I492 PolarHBondContact N-O 3.38Å; S435-A522 WeakPolarHBondContact CA-O 3.37Å
436	A	93.9	Very high	82.5	Confident	54 Å²	54	41.3 Å²	41.3	45%	0.446	22%	0.222	S	C	.	.			trans	-84.9	-6.5	166.3	0	0	0	0	0	112.4	G521 A522 N524	A436-G521 WeakPolarHBondContact CB-O 2.83Å; A436-A522 PolarHBondContact N-O 2.92Å; A436-N524 HydrophobicContact CB-CB 4.06Å
437	L	93.6	Very high	85.2	Confident	37 Å²	37	40.9 Å²	40.9	19%	0.194	22%	0.22	C	C	.	.	S	Bend	trans	-84.8	153	-176.9	-53.1	170.6	0	0	0	110.9	S435 V446 A522	S435-L437 VanDerWaalsContact C-N 3.29Å; S435-L437 WeakPolarHBondContact OG-CB 3.31Å; S435-L437 PolarHBondContact OG-N 3.01Å; S435-L437 VanDerWaalsContact OG-N 3.15Å; L437-V446 HydrophobicContact CD1-CB 3.87Å; L437-V446 HydrophobicContact CD1-CG1 4.17Å; L437-V446 HydrophobicContact CD1-CG2 3.78Å; L437-A522 HydrophobicContact CD1-CB 4.03Å; L437-A522 HydrophobicContact CD2-CB 4.48Å; L437-A522 HydrophobicContact CG-CB 4.25Å
438	S	87.8	Confident	87.6	Confident	115 Å²	115	44.5 Å²	44.5	80%	0.804	23%	0.232	S	C	*	.	S	Bend	trans	-82	-19.3	-168.3	54	0	0	0	0	115.5
439	S	93.3	Very high	89.9	Confident	39 Å²	39	44.5 Å²	44.5	27%	0.273	24%	0.241	S	C	.	.			trans	-136.3	156.9	-178.4	77.3	0	0	0	0	112.9	E441 H442 T443 I492	S439-E441 VanDerWaalsContact C-N 3.34Å; S439-H442 VanDerWaalsContact OG-CB 3.22Å; S439-H442 WeakPolarHBondContact OG-CB 3.21Å; S439-H442 PolarHBondContact OG-N 2.89Å; S439-H442 VanDerWaalsContact OG-N 3.14Å; S439-T443 WeakPolarHBondContact O-CB 3.4Å; S439-T443 PolarHBondContact O-N 3.14Å; S439-T443 PolarHBondContact O-OG1 3.21Å; S439-I492 WeakPolarHBondContact O-CD1 3.49Å
440	V	92.5	Very high	91.4	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.085	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-40	179.3	175.5	0	0	0	0	110.2	T443 M444 N465 L485 P487 I492	V440-T443 PolarHBondContact O-N 2.72Å; V440-M444 WeakPolarHBondContact O-CB 3.42Å; V440-M444 PolarHBondContact O-N 2.75Å; V440-N465 HydrophobicContact CG1-CB 4.36Å; V440-N465 WeakPolarHBondContact CG1-OD1 3.48Å; V440-L485 HydrophobicContact CG1-CB 3.96Å; V440-L485 HydrophobicContact CG1-CD2 3.8Å; V440-L485 WeakPolarHBondContact O-CD2 3.48Å; V440-P487 HydrophobicContact CG2-CB 3.92Å; V440-P487 HydrophobicContact CG2-CG 4.25Å; V440-I492 HydrophobicContact CG2-CD1 4.11Å; V440-I492 HydrophobicContact CG2-CG1 4.29Å; V440-I492 HydrophobicContact CG2-CG2 4.46Å
441	E	93.9	Very high	92.8	Very high	127 Å²	127	39.3 Å²	39.3	59%	0.593	22%	0.217	S	C	*	.	H	α-helix	trans	-62.5	-49	178.9	-61.6	71.1	-155.2	0	0	110.7	S439 M444 E445	S439-E441 VanDerWaalsContact C-N 3.34Å; E441-M444 PolarHBondContact O-N 3.24Å; E441-E445 PolarHBondContact O-N 2.96Å
442	H	94.8	Very high	93.5	Very high	81 Å²	81	43.2 Å²	43.2	38%	0.375	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-41.1	178.3	-173.4	-172.1	0	0	0	111.1	S439 M444 E445 V446	S439-H442 VanDerWaalsContact OG-CB 3.22Å; S439-H442 WeakPolarHBondContact OG-CB 3.21Å; S439-H442 PolarHBondContact OG-N 2.89Å; S439-H442 VanDerWaalsContact OG-N 3.14Å; H442-M444 VanDerWaalsContact C-N 3.33Å; H442-M444 PolarHBondContact O-N 2.97Å; H442-E445 PolarHBondContact O-N 2.89Å; H442-V446 WeakPolarHBondContact O-CG2 3.32Å; H442-V446 PolarHBondContact O-N 2.85Å
443	T	95.6	Very high	93.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-44.8	174.7	-58.3	0	0	0	0	111.5	S435 S439 V440 I447 L485 V494	S435-T443 VanDerWaalsContact OG-CG2 3.31Å; S435-T443 WeakPolarHBondContact OG-CG2 3.37Å; S435-T443 PolarHBondContact OG-OG1 3.34Å; S439-T443 WeakPolarHBondContact O-CB 3.4Å; S439-T443 PolarHBondContact O-N 3.14Å; S439-T443 PolarHBondContact O-OG1 3.21Å; V440-T443 PolarHBondContact O-N 2.72Å; T443-I447 HydrophobicContact CG2-CD1 3.79Å; T443-I447 WeakPolarHBondContact O-CB 3.43Å; T443-I447 VanDerWaalsContact O-CG1 3.25Å; T443-I447 WeakPolarHBondContact O-CG1 3.43Å; T443-I447 PolarHBondContact O-N 2.88Å; T443-L485 HydrophobicContact CG2-CD2 3.64Å; T443-L485 HydrophobicContact CG2-CG 4.4Å; T443-V494 HydrophobicContact CG2-CG2 3.95Å
444	M	95.5	Very high	94.2	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-43.1	178.9	-177.4	58.4	79.5	0	0	112.1	V440 E441 H442 I447 R448 N465 L467 L485	V440-M444 WeakPolarHBondContact O-CB 3.42Å; V440-M444 PolarHBondContact O-N 2.75Å; E441-M444 PolarHBondContact O-N 3.24Å; H442-M444 VanDerWaalsContact C-N 3.33Å; H442-M444 PolarHBondContact O-N 2.97Å; M444-I447 PolarHBondContact O-N 3.32Å; M444-R448 VanDerWaalsContact O-CB 3.25Å; M444-R448 WeakPolarHBondContact O-CB 3.25Å; M444-R448 PolarHBondContact O-N 3.47Å; M444-N465 VanDerWaalsContact CE-C 3.4Å; M444-L467 HydrophobicContact CE-CB 4.13Å; M444-L467 HydrophobicContact SD-CB 3.7Å; M444-L467 HydrophobicContact SD-CD1 4.41Å; M444-L467 HydrophobicContact SD-CD2 4.21Å; M444-L467 HydrophobicContact SD-CG 4.34Å; M444-L485 HydrophobicContact CB-CD2 4.08Å; M444-L485 HydrophobicContact CE-CD1 3.29Å; M444-L485 HydrophobicContact CE-CD2 4.28Å; M444-L485 HydrophobicContact CE-CG 4.36Å; M444-L485 HydrophobicContact SD-CD1 4.25Å
445	E	95	Very high	94.2	Very high	140 Å²	140	63.3 Å²	63.3	65%	0.654	32%	0.323	S	S	*	.	H	α-helix	trans	-62.7	-45.3	179	-173.8	170.1	-159.9	0	0	111.8	E441 H442 R448 A449	E441-E445 PolarHBondContact O-N 2.96Å; H442-E445 PolarHBondContact O-N 2.89Å; E445-R448 PolarHBondContact O-N 3.25Å; E445-A449 WeakPolarHBondContact O-CB 3.25Å; E445-A449 PolarHBondContact O-N 2.97Å
446	V	96.2	Very high	94.1	Very high	20 Å²	20	66.7 Å²	66.7	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-47.4	177.3	171.7	0	0	0	0	111.4	L437 H442 R448 A449 V450 L517 M520 A522	L437-V446 HydrophobicContact CD1-CB 3.87Å; L437-V446 HydrophobicContact CD1-CG1 4.17Å; L437-V446 HydrophobicContact CD1-CG2 3.78Å; H442-V446 WeakPolarHBondContact O-CG2 3.32Å; H442-V446 PolarHBondContact O-N 2.85Å; V446-R448 VanDerWaalsContact C-N 3.31Å; V446-R448 PolarHBondContact O-N 2.84Å; V446-A449 PolarHBondContact O-N 3.24Å; V446-V450 PolarHBondContact O-N 3.33Å; V446-L517 HydrophobicContact CG1-CD2 3.83Å; V446-M520 HydrophobicContact CG1-CE 4.04Å; V446-A522 HydrophobicContact CG1-CB 4.07Å
447	I	96.5	Very high	94.2	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-59.5	-45.5	176.6	-68.9	170.2	0	0	0	110.4	F433 T443 M444 A449 V450 V451 L467 V483 V494 L517	F433-I447 HydrophobicContact CZ-CD1 4.4Å; T443-I447 HydrophobicContact CG2-CD1 3.79Å; T443-I447 WeakPolarHBondContact O-CB 3.43Å; T443-I447 VanDerWaalsContact O-CG1 3.25Å; T443-I447 WeakPolarHBondContact O-CG1 3.43Å; T443-I447 PolarHBondContact O-N 2.88Å; M444-I447 PolarHBondContact O-N 3.32Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.34Å; I447-V450 PolarHBondContact O-N 3.22Å; I447-V451 HydrophobicContact CG2-CG2 4.32Å; I447-V451 VanDerWaalsContact O-CG2 3.28Å; I447-V451 WeakPolarHBondContact O-CG2 3.33Å; I447-V451 PolarHBondContact O-N 2.82Å; I447-L467 HydrophobicContact CG2-CD2 4.1Å; I447-V483 HydrophobicContact CD1-CG1 4.11Å; I447-V483 HydrophobicContact CG2-CG1 4.29Å; I447-V483 HydrophobicContact CG2-CG2 4.39Å; I447-V494 HydrophobicContact CD1-CG1 3.78Å; I447-V494 HydrophobicContact CD1-CG2 4.08Å; I447-L517 HydrophobicContact CG1-CD1 4.07Å; I447-L517 HydrophobicContact CG1-CD2 4.14Å
448	R	95.5	Very high	94.3	Very high	104 Å²	104	69.5 Å²	69.5	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-42.1	178.2	179.5	178	171.2	156.6	-0.2	111.5	M444 E445 V446 V451 V452 A459 I461 L467	M444-R448 VanDerWaalsContact O-CB 3.25Å; M444-R448 WeakPolarHBondContact O-CB 3.25Å; M444-R448 PolarHBondContact O-N 3.47Å; E445-R448 PolarHBondContact O-N 3.25Å; V446-R448 VanDerWaalsContact C-N 3.31Å; V446-R448 PolarHBondContact O-N 2.84Å; R448-V451 PolarHBondContact O-N 2.93Å; R448-V452 HydrophobicContact CG-CG2 4.15Å; R448-V452 WeakPolarHBondContact O-CB 3.49Å; R448-V452 VanDerWaalsContact O-CG2 3.27Å; R448-V452 WeakPolarHBondContact O-CG2 3.44Å; R448-V452 PolarHBondContact O-N 3.03Å; R448-A459 HydrophobicContact CG-CB 4.3Å; R448-I461 VanDerWaalsContact NH1-CG1 3.34Å; R448-L467 HydrophobicContact CB-CD2 4.37Å
449	A	95.3	Very high	94.6	Very high	47 Å²	47	64.8 Å²	64.8	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-59.7	-48.1	177.9	0	0	0	0	0	111.2	E445 V446 I447 V451 V452 Q453	E445-A449 WeakPolarHBondContact O-CB 3.25Å; E445-A449 PolarHBondContact O-N 2.97Å; V446-A449 PolarHBondContact O-N 3.24Å; I447-A449 VanDerWaalsContact C-N 3.33Å; I447-A449 PolarHBondContact O-N 3.34Å; A449-V451 PolarHBondContact O-N 2.84Å; A449-V452 PolarHBondContact O-N 2.77Å; A449-Q453 VanDerWaalsContact O-CG 3.31Å; A449-Q453 WeakPolarHBondContact O-CG 3.46Å; A449-Q453 PolarHBondContact O-N 3.24Å; A449-Q453 VanDerWaalsContact O-N 3.08Å
450	V	96	Very high	94.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-43.5	175.8	172	0	0	0	0	111.7	V446 I447 Q453 I513 D516 L517 M520	V446-V450 PolarHBondContact O-N 3.33Å; I447-V450 PolarHBondContact O-N 3.22Å; V450-Q453 PolarHBondContact O-N 2.87Å; V450-I513 HydrophobicContact CG1-CB 4.49Å; V450-I513 HydrophobicContact CG1-CG2 4.05Å; V450-D516 HydrophobicContact CG1-CB 3.69Å; V450-L517 HydrophobicContact CB-CD2 4.4Å; V450-L517 HydrophobicContact CG2-CD2 3.82Å; V450-L517 HydrophobicContact CG2-CG 4.36Å; V450-M520 HydrophobicContact CG2-SD 3.62Å
451	V	95.9	Very high	94.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-45.8	178	172.2	0	0	0	0	111.3	I447 R448 A449 Q453 R454 L457 A459 V469 I513	I447-V451 HydrophobicContact CG2-CG2 4.32Å; I447-V451 VanDerWaalsContact O-CG2 3.28Å; I447-V451 WeakPolarHBondContact O-CG2 3.33Å; I447-V451 PolarHBondContact O-N 2.82Å; R448-V451 PolarHBondContact O-N 2.93Å; A449-V451 PolarHBondContact O-N 2.84Å; V451-Q453 VanDerWaalsContact C-N 3.31Å; V451-Q453 PolarHBondContact O-N 2.85Å; V451-R454 PolarHBondContact O-N 2.83Å; V451-R454 VanDerWaalsContact O-N 3.17Å; V451-L457 HydrophobicContact CG1-CB 3.9Å; V451-L457 HydrophobicContact CG1-CD1 4.07Å; V451-A459 HydrophobicContact CB-CB 4.41Å; V451-A459 HydrophobicContact CG1-CB 3.76Å; V451-V469 HydrophobicContact CG1-CB 4.47Å; V451-V469 HydrophobicContact CG1-CG1 3.62Å; V451-V469 HydrophobicContact CG1-CG2 4.02Å; V451-V469 HydrophobicContact CG2-CG2 4.21Å; V451-I513 HydrophobicContact CG2-CD1 3.96Å
452	V	94	Very high	94	Very high	85 Å²	85	65.8 Å²	65.8	52%	0.515	30%	0.302	S	S	.	.	H	α-helix	trans	-71.2	-25.3	-176	172.7	0	0	0	0	112.5	R448 A449 R454 A459	R448-V452 HydrophobicContact CG-CG2 4.15Å; R448-V452 WeakPolarHBondContact O-CB 3.49Å; R448-V452 VanDerWaalsContact O-CG2 3.27Å; R448-V452 WeakPolarHBondContact O-CG2 3.44Å; R448-V452 PolarHBondContact O-N 3.03Å; A449-V452 PolarHBondContact O-N 2.77Å; V452-R454 PolarHBondContact O-N 3.07Å; V452-A459 HydrophobicContact CG2-CB 4.01Å
453	Q	94.2	Very high	93.3	Very high	142 Å²	142	63.7 Å²	63.7	66%	0.664	30%	0.302	S	S	*	.	H	α-helix	trans	-62	-26.5	171.9	-75.8	173.1	0.1	0	0	112.5	A449 V450 V451 R455	A449-Q453 VanDerWaalsContact O-CG 3.31Å; A449-Q453 WeakPolarHBondContact O-CG 3.46Å; A449-Q453 PolarHBondContact O-N 3.24Å; A449-Q453 VanDerWaalsContact O-N 3.08Å; V450-Q453 PolarHBondContact O-N 2.87Å; V451-Q453 VanDerWaalsContact C-N 3.31Å; V451-Q453 PolarHBondContact O-N 2.85Å; Q453-R455 PolarHBondContact O-N 2.79Å
454	R	93.4	Very high	92.8	Very high	59 Å²	59	67.9 Å²	67.9	22%	0.223	33%	0.331	C	S	.	.	S	Bend	trans	-86.7	103.1	178.3	-65.6	175.4	170.8	-86	-5.8	109.5	V451 V452 H456 L457 A512 D516	V451-R454 PolarHBondContact O-N 2.83Å; V451-R454 VanDerWaalsContact O-N 3.17Å; V452-R454 PolarHBondContact O-N 3.07Å; R454-H456 PolarHBondContact O-N 3.48Å; R454-L457 HydrophobicContact CB-CB 4.31Å; R454-L457 HydrophobicContact CB-CD1 3.72Å; R454-L457 HydrophobicContact CB-CG 3.79Å; R454-L457 HydrophobicContact CG-CD1 4.32Å; R454-L457 WeakPolarHBondContact O-CB 3.41Å; R454-L457 PolarHBondContact O-N 2.85Å; R454-A512 PolarHBondContact NH2-O 3.36Å; R454-D516 IonicContact CZ-OD2 3.21Å; R454-D516 VanDerWaalsContact CZ-OD2 3.25Å; R454-D516 IonicContact NE-OD2 3.15Å; R454-D516 PolarHBondContact NE-OD2 3.01Å; R454-D516 VanDerWaalsContact NH2-CG 3.32Å; R454-D516 IonicContact NH2-OD1 2.95Å; R454-D516 PolarHBondContact NH2-OD1 3.09Å; R454-D516 IonicContact NH2-OD2 3.3Å; R454-D516 PolarHBondContact NH2-OD2 3.33Å
455	R	91.7	Very high	92.3	Very high	243 Å²	243	69.7 Å²	69.7	92%	0.917	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-28.3	-174	-64.7	-175.5	-179.5	-177.5	0.8	115.7	Q453 L457	Q453-R455 PolarHBondContact O-N 2.79Å; R455-L457 VanDerWaalsContact C-N 3.29Å
456	H	92.5	Very high	92	Very high	76 Å²	76	64 Å²	64	35%	0.352	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.1	178.1	60.9	-82.3	0	0	0	112.9	R454 K472	R454-H456 PolarHBondContact O-N 3.48Å; H456-K472 WeakPolarHBondContact O-CA 3.46Å; H456-K472 WeakPolarHBondContact O-CB 3.26Å; H456-K472 PolarHBondContact O-N 2.82Å
457	L	95.8	Very high	91.9	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.5	177.3	-54	-174.8	0	0	0	110.9	V451 R454 R455 V469 D470 I471 T509 I513	V451-L457 HydrophobicContact CG1-CB 3.9Å; V451-L457 HydrophobicContact CG1-CD1 4.07Å; R454-L457 HydrophobicContact CB-CB 4.31Å; R454-L457 HydrophobicContact CB-CD1 3.72Å; R454-L457 HydrophobicContact CB-CG 3.79Å; R454-L457 HydrophobicContact CG-CD1 4.32Å; R454-L457 WeakPolarHBondContact O-CB 3.41Å; R454-L457 PolarHBondContact O-N 2.85Å; R455-L457 VanDerWaalsContact C-N 3.29Å; L457-V469 HydrophobicContact CB-CG1 4.22Å; L457-V469 HydrophobicContact CD1-CG1 4.37Å; L457-V469 HydrophobicContact CD2-CG1 4.43Å; L457-D470 CarbonylContact C-O 3.54Å; L457-D470 WeakPolarHBondContact CA-O 3.47Å; L457-I471 HydrophobicContact CD2-CB 4.11Å; L457-I471 HydrophobicContact CD2-CG1 3.91Å; L457-I471 HydrophobicContact CD2-CG2 3.82Å; L457-T509 HydrophobicContact CD1-CG2 3.8Å; L457-T509 HydrophobicContact CD2-CG2 3.74Å; L457-T509 HydrophobicContact CG-CG2 4.42Å; L457-I513 HydrophobicContact CD1-CD1 3.96Å; L457-I513 HydrophobicContact CD1-CG1 4.47Å
458	R	94.1	Very high	91.7	Very high	139 Å²	139	64 Å²	64	53%	0.525	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.9	169.6	174.5	-171.1	177.2	178.2	1.1	109	V469 D470	R458-V469 CarbonylContact O-C 3.59Å; R458-V469 WeakPolarHBondContact O-CA 3.43Å; R458-D470 HydrophobicContact CB-CB 4.31Å; R458-D470 PolarHBondContact N-O 2.97Å; R458-D470 PolarHBondContact O-N 3.5Å
459	A	94.4	Very high	91.6	Very high	16 Å²	16	59.1 Å²	59.1	13%	0.132	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.2	177.8	0	0	0	0	0	110.7	R448 V451 V452 L467 L468	R448-A459 HydrophobicContact CG-CB 4.3Å; V451-A459 HydrophobicContact CB-CB 4.41Å; V451-A459 HydrophobicContact CG1-CB 3.76Å; V452-A459 HydrophobicContact CG2-CB 4.01Å; A459-L467 HydrophobicContact CB-CD1 3.98Å; A459-L467 HydrophobicContact CB-CD2 4.39Å; A459-L467 HydrophobicContact CB-CG 4.39Å; A459-L468 CarbonylContact C-O 3.36Å; A459-L468 WeakPolarHBondContact CA-O 3.22Å
460	T	92.5	Very high	91.6	Very high	28 Å²	28	59.2 Å²	59.2	17%	0.172	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.8	177.5	-54.6	0	0	0	0	109.4	R462 L468	T460-R462 VanDerWaalsContact CG2-NH1 3.29Å; T460-L468 PolarHBondContact N-O 3.41Å; T460-L468 PolarHBondContact O-N 2.97Å
461	I	89.3	Confident	91.4	Very high	76 Å²	76	59.4 Å²	59.4	39%	0.39	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.7	177.5	-68.2	-175.5	0	0	0	110	R448 G463 L467	R448-I461 VanDerWaalsContact NH1-CG1 3.34Å; I461-G463 VanDerWaalsContact CG2-O 3.31Å; I461-G463 WeakPolarHBondContact CG2-O 3.39Å; I461-L467 HydrophobicContact CG1-CD1 3.8Å
462	R	85.1	Confident	91.2	Very high	98 Å²	98	65.5 Å²	65.5	37%	0.37	32%	0.317	S	S	.	.			trans	-126.3	39.2	179.3	-65.7	-64.8	-170.5	-133.7	5.6	111.3	S35 T460 N466 L468	S35-R462 PolarHBondContact OG-O 2.8Å; T460-R462 VanDerWaalsContact CG2-NH1 3.29Å; R462-N466 HydrophobicContact CB-CB 4.33Å; R462-N466 PolarHBondContact N-O 3.47Å; R462-L468 HydrophobicContact CG-CB 4.21Å
463	G	81.6	Confident	90.8	Very high	37 Å²	37	62.7 Å²	62.7	38%	0.381	30%	0.301	S	S	.	.	S	Bend	trans	119.2	171	-174.4	0	0	0	0	0	112.1	I461 N465 N466	I461-G463 VanDerWaalsContact CG2-O 3.31Å; I461-G463 WeakPolarHBondContact CG2-O 3.39Å; G463-N465 PolarHBondContact O-N 2.91Å; G463-N466 PolarHBondContact O-N 2.91Å
464	S	83.6	Confident	90.1	Very high	90 Å²	90	61.4 Å²	61.4	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.2	-174.3	57.4	0	0	0	0	113.8
465	N	86.1	Confident	89.3	Confident	47 Å²	47	65.1 Å²	65.1	25%	0.251	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	14.7	-172.5	-58.1	22.6	0	0	0	112.8	V440 M444 G463 L484 L485	V440-N465 HydrophobicContact CG1-CB 4.36Å; V440-N465 WeakPolarHBondContact CG1-OD1 3.48Å; M444-N465 VanDerWaalsContact CE-C 3.4Å; G463-N465 PolarHBondContact O-N 2.91Å; N465-L484 WeakPolarHBondContact O-CA 3.48Å; N465-L485 HydrophobicContact CB-CB 4.2Å; N465-L485 WeakPolarHBondContact CB-O 3.49Å; N465-L485 PolarHBondContact ND2-O 3.39Å; N465-L485 PolarHBondContact O-N 3.19Å
466	N	88.2	Confident	88.5	Confident	22 Å²	22	56.4 Å²	56.4	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118.6	-172.9	-176.3	-4.3	0	0	0	111.6	R462 G463 L484	R462-N466 HydrophobicContact CB-CB 4.33Å; R462-N466 PolarHBondContact N-O 3.47Å; G463-N466 PolarHBondContact O-N 2.91Å; N466-L484 HydrophobicContact CB-CD2 3.89Å
467	L	93.2	Very high	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.1	177.2	-172.7	69.6	0	0	0	110.2	M444 I447 R448 A459 I461 V469 R482 V483	M444-L467 HydrophobicContact CE-CB 4.13Å; M444-L467 HydrophobicContact SD-CB 3.7Å; M444-L467 HydrophobicContact SD-CD1 4.41Å; M444-L467 HydrophobicContact SD-CD2 4.21Å; M444-L467 HydrophobicContact SD-CG 4.34Å; I447-L467 HydrophobicContact CG2-CD2 4.1Å; R448-L467 HydrophobicContact CB-CD2 4.37Å; A459-L467 HydrophobicContact CB-CD1 3.98Å; A459-L467 HydrophobicContact CB-CD2 4.39Å; A459-L467 HydrophobicContact CB-CG 4.39Å; I461-L467 HydrophobicContact CG1-CD1 3.8Å; L467-V469 HydrophobicContact CD2-CG2 4.06Å; L467-V469 HydrophobicContact CG-CG2 4.12Å; L467-R482 CarbonylContact O-C 3.59Å; L467-R482 VanDerWaalsContact O-CA 3.24Å; L467-R482 WeakPolarHBondContact O-CA 3.43Å; L467-V483 HydrophobicContact CB-CB 4.2Å; L467-V483 PolarHBondContact N-O 3.13Å; L467-V483 PolarHBondContact O-N 3.25Å
468	L	92.3	Very high	87.3	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	130	168.5	-179.3	66.4	0	0	0	109.5	A459 T460 R462 A480 R482 V499	A459-L468 CarbonylContact C-O 3.36Å; A459-L468 WeakPolarHBondContact CA-O 3.22Å; T460-L468 PolarHBondContact N-O 3.41Å; T460-L468 PolarHBondContact O-N 2.97Å; R462-L468 HydrophobicContact CG-CB 4.21Å; L468-A480 HydrophobicContact CD1-CB 4.35Å; L468-R482 HydrophobicContact CD1-CG 3.9Å; L468-V499 HydrophobicContact CD1-CG2 4.1Å
469	V	94.9	Very high	87	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.4	178.3	-174.7	0	0	0	0	109.5	V451 L457 R458 L467 A480 F481 V483	V451-V469 HydrophobicContact CG1-CB 4.47Å; V451-V469 HydrophobicContact CG1-CG1 3.62Å; V451-V469 HydrophobicContact CG1-CG2 4.02Å; V451-V469 HydrophobicContact CG2-CG2 4.21Å; L457-V469 HydrophobicContact CB-CG1 4.22Å; L457-V469 HydrophobicContact CD1-CG1 4.37Å; L457-V469 HydrophobicContact CD2-CG1 4.43Å; R458-V469 CarbonylContact O-C 3.59Å; R458-V469 WeakPolarHBondContact O-CA 3.43Å; L467-V469 HydrophobicContact CD2-CG2 4.06Å; L467-V469 HydrophobicContact CG-CG2 4.12Å; V469-A480 CarbonylContact O-C 3.54Å; V469-A480 VanDerWaalsContact O-CA 3.26Å; V469-A480 WeakPolarHBondContact O-CA 3.38Å; V469-F481 HydrophobicContact CB-CD1 4Å; V469-F481 HydrophobicContact CB-CD2 4.19Å; V469-F481 HydrophobicContact CB-CE1 3.61Å; V469-F481 HydrophobicContact CB-CE2 3.81Å; V469-F481 HydrophobicContact CB-CG 4.27Å; V469-F481 HydrophobicContact CB-CZ 3.51Å; V469-F481 HydrophobicContact CG1-CD1 4.22Å; V469-F481 HydrophobicContact CG1-CE1 3.43Å; V469-F481 VanDerWaalsContact CG1-CE1 3.43Å; V469-F481 HydrophobicContact CG1-CE2 4.26Å; V469-F481 HydrophobicContact CG1-CZ 3.46Å; V469-F481 VanDerWaalsContact CG1-CZ 3.46Å; V469-F481 HydrophobicContact CG2-CD2 4.41Å; V469-F481 HydrophobicContact CG2-CE1 4.46Å; V469-F481 HydrophobicContact CG2-CE2 3.82Å; V469-F481 HydrophobicContact CG2-CZ 3.86Å; V469-F481 PolarHBondContact N-O 3.4Å; V469-F481 PolarHBondContact O-N 2.98Å; V469-V483 HydrophobicContact CG2-CG2 4.3Å
470	D	94	Very high	86.8	Confident	49 Å²	49	52.7 Å²	52.7	26%	0.262	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.3	173.2	-57.5	-67	0	0	0	110.1	L457 R458	L457-D470 CarbonylContact C-O 3.54Å; L457-D470 WeakPolarHBondContact CA-O 3.47Å; R458-D470 HydrophobicContact CB-CB 4.31Å; R458-D470 PolarHBondContact N-O 2.97Å; R458-D470 PolarHBondContact O-N 3.5Å
471	I	93.7	Very high	86.7	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	104.8	175.2	-44	-177.1	0	0	0	108.5	L457 T473 T479 F481 L505 T509	L457-I471 HydrophobicContact CD2-CB 4.11Å; L457-I471 HydrophobicContact CD2-CG1 3.91Å; L457-I471 HydrophobicContact CD2-CG2 3.82Å; I471-T473 HydrophobicContact CG2-CG2 4.03Å; I471-T473 PolarHBondContact O-N 3.26Å; I471-T479 HydrophobicContact CB-CG2 4.43Å; I471-T479 HydrophobicContact CD1-CG2 3.8Å; I471-T479 HydrophobicContact CG1-CG2 4.31Å; I471-T479 PolarHBondContact N-O 2.77Å; I471-F481 HydrophobicContact CD1-CD1 4Å; I471-F481 HydrophobicContact CD1-CE1 4.03Å; I471-F481 HydrophobicContact CG1-CD1 4.14Å; I471-F481 HydrophobicContact CG1-CE1 4.06Å; I471-L505 HydrophobicContact CB-CD2 4.5Å; I471-L505 HydrophobicContact CD1-CG 4.15Å; I471-L505 HydrophobicContact CG2-CD1 4.39Å; I471-L505 HydrophobicContact CG2-CD2 3.96Å; I471-L505 HydrophobicContact CG2-CG 4.14Å; I471-T509 HydrophobicContact CD1-CG2 4.01Å; I471-T509 WeakPolarHBondContact CD1-OG1 3.33Å; I471-T509 HydrophobicContact CG1-CG2 4.47Å
472	K	90.7	Very high	86.7	Confident	127 Å²	127	49.1 Å²	49.1	55%	0.552	28%	0.283	S	S	*	.			trans	-81	96	-179.3	-61.4	179	179.4	172.4	0	110.1	H456	H456-K472 WeakPolarHBondContact O-CA 3.46Å; H456-K472 WeakPolarHBondContact O-CB 3.26Å; H456-K472 PolarHBondContact O-N 2.82Å
473	T	85.6	Confident	87.1	Confident	27 Å²	27	44.6 Å²	44.6	17%	0.166	27%	0.266	C	S	.	.			trans	-132.2	134.3	172.1	62.2	0	0	0	0	110	I471 E475 H476 L505	I471-T473 HydrophobicContact CG2-CG2 4.03Å; I471-T473 PolarHBondContact O-N 3.26Å; T473-E475 PolarHBondContact O-N 3.25Å; T473-H476 WeakPolarHBondContact OG1-CB 3.48Å; T473-H476 PolarHBondContact OG1-N 3.21Å; T473-H476 PolarHBondContact OG1-O 3.28Å; T473-L505 HydrophobicContact CG2-CD2 4Å
474	P	80.4	Confident	87.4	Confident	115 Å²	115	44.1 Å²	44.1	75%	0.747	26%	0.255	S	S	*	.	S	Bend	trans	-61.1	-32.7	171.6	-23.3	33.1	0	0	0	113.2
475	E	75.9	Confident	87.8	Confident	136 Å²	136	40.1 Å²	40.1	64%	0.636	23%	0.226	S	C	*	.	S	Bend	trans	-76.1	-31.3	-173.8	-58.5	70	-146.8	0	0	112.1	T473	T473-E475 PolarHBondContact O-N 3.25Å
476	H	75.5	Confident	87.8	Confident	61 Å²	61	41.2 Å²	41.2	28%	0.282	23%	0.227	S	C	.	.	S	Bend	trans	-134	65.5	-176.7	-59.2	-69.5	0	0	0	111.5	T473 T479 D502 L505	T473-H476 WeakPolarHBondContact OG1-CB 3.48Å; T473-H476 PolarHBondContact OG1-N 3.21Å; T473-H476 PolarHBondContact OG1-O 3.28Å; H476-T479 PolarHBondContact O-OG1 2.95Å; H476-D502 HydrophobicContact CB-CB 3.87Å; H476-D502 IonicContact CE1-OD1 3.44Å; H476-D502 IonicContact ND1-OD1 3.69Å; H476-D502 PolarHBondContact ND1-OD1 2.96Å; H476-L505 HydrophobicContact CB-CD2 3.7Å
477	P	78.8	Confident	87.7	Confident	102 Å²	102	44 Å²	44	66%	0.662	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	145.9	-175.7	27.6	-35.3	0	0	0	111.7	T479	P477-T479 VanDerWaalsContact C-N 3.28Å; P477-T479 PolarHBondContact O-N 3.04Å
478	G	82.8	Confident	87.1	Confident	55 Å²	55	46 Å²	46	57%	0.567	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	11.9	177	0	0	0	0	0	114.9	A480 S500	G478-A480 PolarHBondContact O-N 3.36Å; G478-S500 CarbonylContact O-C 3.6Å; G478-S500 WeakPolarHBondContact O-CB 3.26Å; G478-S500 PolarHBondContact O-OG 3.14Å
479	T	88	Confident	86.5	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.1	172.4	-53.7	0	0	0	0	110.3	I471 H476 P477 S500 D502 L505	I471-T479 HydrophobicContact CB-CG2 4.43Å; I471-T479 HydrophobicContact CD1-CG2 3.8Å; I471-T479 HydrophobicContact CG1-CG2 4.31Å; I471-T479 PolarHBondContact N-O 2.77Å; H476-T479 PolarHBondContact O-OG1 2.95Å; P477-T479 VanDerWaalsContact C-N 3.28Å; P477-T479 PolarHBondContact O-N 3.04Å; T479-S500 WeakPolarHBondContact CA-O 3.3Å; T479-D502 HydrophobicContact CG2-CB 4.08Å; T479-D502 WeakPolarHBondContact CG2-O 3.18Å; T479-D502 VanDerWaalsContact OG1-CB 3.32Å; T479-D502 WeakPolarHBondContact OG1-CB 3.44Å; T479-D502 PolarHBondContact OG1-N 3.48Å; T479-L505 HydrophobicContact CG2-CD2 4.18Å; T479-L505 HydrophobicContact CG2-CG 4.44Å
480	A	90.3	Very high	85.9	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.1	-179.1	0	0	0	0	0	111.3	L468 V469 G478 V499 S500	L468-A480 HydrophobicContact CD1-CB 4.35Å; V469-A480 CarbonylContact O-C 3.54Å; V469-A480 VanDerWaalsContact O-CA 3.26Å; V469-A480 WeakPolarHBondContact O-CA 3.38Å; G478-A480 PolarHBondContact O-N 3.36Å; A480-V499 HydrophobicContact CB-CB 4.49Å; A480-V499 PolarHBondContact O-N 3.5Å; A480-S500 PolarHBondContact N-O 3.48Å; A480-S500 PolarHBondContact O-N 3.11Å
481	F	90.6	Very high	85.5	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.5	174.5	68.7	-86.6	0	0	0	111.4	V469 I471 V483 R497 F506 T509 I513	V469-F481 HydrophobicContact CB-CD1 4Å; V469-F481 HydrophobicContact CB-CD2 4.19Å; V469-F481 HydrophobicContact CB-CE1 3.61Å; V469-F481 HydrophobicContact CB-CE2 3.81Å; V469-F481 HydrophobicContact CB-CG 4.27Å; V469-F481 HydrophobicContact CB-CZ 3.51Å; V469-F481 HydrophobicContact CG1-CD1 4.22Å; V469-F481 HydrophobicContact CG1-CE1 3.43Å; V469-F481 VanDerWaalsContact CG1-CE1 3.43Å; V469-F481 HydrophobicContact CG1-CE2 4.26Å; V469-F481 HydrophobicContact CG1-CZ 3.46Å; V469-F481 VanDerWaalsContact CG1-CZ 3.46Å; V469-F481 HydrophobicContact CG2-CD2 4.41Å; V469-F481 HydrophobicContact CG2-CE1 4.46Å; V469-F481 HydrophobicContact CG2-CE2 3.82Å; V469-F481 HydrophobicContact CG2-CZ 3.86Å; V469-F481 PolarHBondContact N-O 3.4Å; V469-F481 PolarHBondContact O-N 2.98Å; I471-F481 HydrophobicContact CD1-CD1 4Å; I471-F481 HydrophobicContact CD1-CE1 4.03Å; I471-F481 HydrophobicContact CG1-CD1 4.14Å; I471-F481 HydrophobicContact CG1-CE1 4.06Å; F481-V483 HydrophobicContact CD2-CG2 4.14Å; F481-V483 HydrophobicContact CE2-CG2 3.79Å; F481-R497 CarbonylContact C-O 3.43Å; F481-R497 WeakPolarHBondContact CA-O 3.37Å; F481-R497 VanDerWaalsContact CB-O 3.25Å; F481-R497 WeakPolarHBondContact CB-O 3.2Å; F481-F506 HydrophobicContact CB-CD2 3.32Å; F481-F506 HydrophobicContact CB-CE2 3.37Å; F481-F506 HydrophobicContact CB-CG 4.4Å; F481-F506 HydrophobicContact CB-CZ 4.46Å; F481-F506 AromaticContact CD1-CD2 3.77Å; F481-F506 HydrophobicContact CD1-CD2 3.77Å; F481-F506 HydrophobicContact CD1-CE2 4.23Å; F481-F506 HydrophobicContact CD2-CD2 4.23Å; F481-F506 AromaticContact CD2-CE2 3.83Å; F481-F506 HydrophobicContact CD2-CE2 3.83Å; F481-F506 AromaticContact CG-CD2 3.53Å; F481-F506 HydrophobicContact CG-CD2 3.53Å; F481-F506 AromaticContact CG-CE2 3.57Å; F481-F506 HydrophobicContact CG-CE2 3.57Å; F481-T509 HydrophobicContact CE1-CG2 3.83Å; F481-T509 HydrophobicContact CZ-CG2 4.21Å; F481-I513 HydrophobicContact CE2-CD1 4.42Å; F481-I513 HydrophobicContact CZ-CD1 3.66Å
482	R	89.3	Confident	85.4	Confident	29 Å²	29	53.2 Å²	53.2	11%	0.109	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.1	174.9	-79.2	168.5	-169.5	-155	6.2	110.2	E37 E64 L467 L468 C496 R497 V499	E37-R482 IonicContact OE1-CZ 3.25Å; E37-R482 IonicContact OE1-NH1 3.62Å; E37-R482 PolarHBondContact OE1-NH1 3Å; E37-R482 IonicContact OE1-NH2 2.74Å; E37-R482 PolarHBondContact OE1-NH2 3.3Å; E37-R482 VanDerWaalsContact OE1-NH2 3.14Å; E37-R482 IonicContact OE2-CZ 2.67Å; E37-R482 IonicContact OE2-NH1 2.7Å; E37-R482 IonicContact OE2-NH2 2.64Å; E37-R482 PolarHBondContact OE2-NH2 2.89Å; E64-R482 IonicContact OE1-CZ 3.03Å; E64-R482 IonicContact OE1-NH2 3.49Å; E64-R482 PolarHBondContact OE1-NH2 3.47Å; E64-R482 IonicContact OE2-CZ 2.83Å; E64-R482 IonicContact OE2-NE 3.19Å; E64-R482 PolarHBondContact OE2-NE 3.04Å; E64-R482 VanDerWaalsContact OE2-NE 3.15Å; E64-R482 IonicContact OE2-NH1 3.35Å; E64-R482 PolarHBondContact OE2-NH1 3.43Å; E64-R482 IonicContact OE2-NH2 3.6Å; E64-R482 PolarHBondContact OE2-NH2 3.37Å; L467-R482 CarbonylContact O-C 3.59Å; L467-R482 VanDerWaalsContact O-CA 3.24Å; L467-R482 WeakPolarHBondContact O-CA 3.43Å; L468-R482 HydrophobicContact CD1-CG 3.9Å; R482-C496 CarbonylContact O-C 3.57Å; R482-C496 VanDerWaalsContact O-CA 3.28Å; R482-C496 WeakPolarHBondContact O-CA 3.39Å; R482-R497 PolarHBondContact N-O 2.86Å; R482-R497 PolarHBondContact O-N 2.82Å; R482-V499 HydrophobicContact CB-CG2 4.13Å; R482-V499 HydrophobicContact CG-CG2 3.51Å
483	V	92.8	Very high	85.3	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	165.7	-169.9	0	0	0	0	107.4	I447 L467 V469 F481 L485 V494	I447-V483 HydrophobicContact CD1-CG1 4.11Å; I447-V483 HydrophobicContact CG2-CG1 4.29Å; I447-V483 HydrophobicContact CG2-CG2 4.39Å; L467-V483 HydrophobicContact CB-CB 4.2Å; L467-V483 PolarHBondContact N-O 3.13Å; L467-V483 PolarHBondContact O-N 3.25Å; V469-V483 HydrophobicContact CG2-CG2 4.3Å; F481-V483 HydrophobicContact CD2-CG2 4.14Å; F481-V483 HydrophobicContact CE2-CG2 3.79Å; V483-L485 HydrophobicContact CG1-CD1 4.12Å; V483-V494 HydrophobicContact CG1-CG1 3.45Å; V483-V494 VanDerWaalsContact CG1-CG1 3.45Å
484	L	89.7	Confident	85.5	Confident	28 Å²	28	46 Å²	46	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.7	179	-62.6	171.7	0	0	0	109.5	N465 N466 Y486 D495	N465-L484 WeakPolarHBondContact O-CA 3.48Å; N466-L484 HydrophobicContact CB-CD2 3.89Å; L484-Y486 HydrophobicContact CB-CE2 3.87Å; L484-Y486 WeakPolarHBondContact CD1-OH 3.44Å; L484-D495 HydrophobicContact CB-CB 4.42Å; L484-D495 PolarHBondContact N-O 3.04Å; L484-D495 PolarHBondContact O-N 3.23Å
485	L	90.9	Very high	85.8	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.9	179.2	-70.2	68.5	0	0	0	109.6	V440 T443 M444 N465 V483 P487 I492	V440-L485 HydrophobicContact CG1-CB 3.96Å; V440-L485 HydrophobicContact CG1-CD2 3.8Å; V440-L485 WeakPolarHBondContact O-CD2 3.48Å; T443-L485 HydrophobicContact CG2-CD2 3.64Å; T443-L485 HydrophobicContact CG2-CG 4.4Å; M444-L485 HydrophobicContact CB-CD2 4.08Å; M444-L485 HydrophobicContact CE-CD1 3.29Å; M444-L485 HydrophobicContact CE-CD2 4.28Å; M444-L485 HydrophobicContact CE-CG 4.36Å; M444-L485 HydrophobicContact SD-CD1 4.25Å; N465-L485 HydrophobicContact CB-CB 4.2Å; N465-L485 WeakPolarHBondContact CB-O 3.49Å; N465-L485 PolarHBondContact ND2-O 3.39Å; N465-L485 PolarHBondContact O-N 3.19Å; V483-L485 HydrophobicContact CG1-CD1 4.12Å; L485-P487 WeakPolarHBondContact O-CD 3.34Å; L485-I492 HydrophobicContact CB-CG2 4.29Å
486	Y	85.8	Confident	86.5	Confident	70 Å²	70	34.2 Å²	34.2	28%	0.275	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	107.1	176	-59.1	-81.3	0	0	0	108.9	L484 L488 L493 D495 R497	L484-Y486 HydrophobicContact CB-CE2 3.87Å; L484-Y486 WeakPolarHBondContact CD1-OH 3.44Å; Y486-L488 PolarHBondContact O-N 3.02Å; Y486-L493 HydrophobicContact CD2-CD2 4.08Å; Y486-L493 PolarHBondContact N-O 3.4Å; Y486-L493 PolarHBondContact O-N 3.49Å; Y486-D495 HydrophobicContact CD2-CB 4.21Å; Y486-D495 HydrophobicContact CE2-CB 3.73Å; Y486-R497 PolarHBondContact OH-NH2 2.97Å
487	P	85.8	Confident	86.8	Confident	81 Å²	81	33 Å²	33	53%	0.526	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	119	166.8	27.3	-30.9	0	0	0	108.7	V440 L485	V440-P487 HydrophobicContact CG2-CB 3.92Å; V440-P487 HydrophobicContact CG2-CG 4.25Å; L485-P487 WeakPolarHBondContact O-CD 3.34Å
488	L	81.6	Confident	87.1	Confident	43 Å²	43	31.1 Å²	31.1	23%	0.225	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	154.9	176.8	-58.8	174.1	0	0	0	107.1	F423 F434 Y486 G490 S491 L493	F423-L488 HydrophobicContact CD1-CD1 3.69Å; F423-L488 HydrophobicContact CE1-CB 3.69Å; F423-L488 HydrophobicContact CE1-CD1 3.41Å; F423-L488 VanDerWaalsContact CE1-CD1 3.41Å; F423-L488 HydrophobicContact CE1-CG 4.15Å; F423-L488 HydrophobicContact CZ-CB 4.13Å; F434-L488 HydrophobicContact CE1-CD1 4.42Å; Y486-L488 PolarHBondContact O-N 3.02Å; L488-G490 PolarHBondContact O-N 2.8Å; L488-S491 CarbonylContact C-O 3.3Å; L488-S491 WeakPolarHBondContact CA-O 3.42Å; L488-S491 PolarHBondContact N-O 3.14Å; L488-S491 CarbonylContact O-C 3.43Å; L488-S491 PolarHBondContact O-N 3.05Å; L488-L493 HydrophobicContact CD1-CB 3.7Å; L488-L493 HydrophobicContact CD1-CD2 4.32Å
489	A	79	Confident	87.1	Confident	106 Å²	106	29.4 Å²	29.4	88%	0.876	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	100.7	-171.9	0	0	0	0	0	113
490	G	82.4	Confident	86.8	Confident	84 Å²	84	30.9 Å²	30.9	87%	0.866	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	7.9	-177.8	0	0	0	0	0	116.8	L488	L488-G490 PolarHBondContact O-N 2.8Å
491	S	86.8	Confident	86.3	Confident	27 Å²	27	32.6 Å²	32.6	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154.8	-177.9	-71.3	0	0	0	0	111.9	L488 H527	L488-S491 CarbonylContact C-O 3.3Å; L488-S491 WeakPolarHBondContact CA-O 3.42Å; L488-S491 PolarHBondContact N-O 3.14Å; L488-S491 CarbonylContact O-C 3.43Å; L488-S491 PolarHBondContact O-N 3.05Å; S491-H527 PolarHBondContact OG-NE2 3.07Å
492	I	90.1	Very high	85.9	Confident	12 Å²	12	33.7 Å²	33.7	6%	0.062	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	115.6	178.4	-57	165.7	0	0	0	108.3	F434 S435 S439 V440 L485	F434-I492 CarbonylContact C-O 3.58Å; F434-I492 WeakPolarHBondContact CA-O 3.37Å; S435-I492 PolarHBondContact N-O 3.38Å; S439-I492 WeakPolarHBondContact O-CD1 3.49Å; V440-I492 HydrophobicContact CG2-CD1 4.11Å; V440-I492 HydrophobicContact CG2-CG1 4.29Å; V440-I492 HydrophobicContact CG2-CG2 4.46Å; L485-I492 HydrophobicContact CB-CG2 4.29Å
493	L	88.7	Confident	85.4	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.4	172.4	175.6	76.2	0	0	0	109.4	L426 R432 F434 Y486 L488	L426-L493 HydrophobicContact CD1-CD2 3.48Å; L426-L493 VanDerWaalsContact CD1-CD2 3.48Å; L426-L493 HydrophobicContact CD2-CD2 3.82Å; L426-L493 HydrophobicContact CG-CD2 4.29Å; R432-L493 HydrophobicContact CB-CD1 4.29Å; F434-L493 HydrophobicContact CD1-CB 4.42Å; F434-L493 HydrophobicContact CD2-CD1 4.39Å; F434-L493 HydrophobicContact CE1-CB 4Å; F434-L493 HydrophobicContact CE1-CD1 4.12Å; F434-L493 HydrophobicContact CE2-CD1 3.88Å; F434-L493 HydrophobicContact CZ-CB 4.42Å; F434-L493 HydrophobicContact CZ-CD1 3.77Å; Y486-L493 HydrophobicContact CD2-CD2 4.08Å; Y486-L493 PolarHBondContact N-O 3.4Å; Y486-L493 PolarHBondContact O-N 3.49Å; L488-L493 HydrophobicContact CD1-CB 3.7Å; L488-L493 HydrophobicContact CD1-CD2 4.32Å
494	V	91	Very high	84.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	123.5	170.7	-174	0	0	0	0	108.7	R432 F433 T443 I447 V483	R432-V494 WeakPolarHBondContact CA-O 3.25Å; F433-V494 HydrophobicContact CD1-CB 4.08Å; F433-V494 HydrophobicContact CD1-CG1 4.29Å; F433-V494 HydrophobicContact CD2-CB 4.15Å; F433-V494 HydrophobicContact CD2-CG2 4.25Å; F433-V494 HydrophobicContact CE1-CB 3.74Å; F433-V494 HydrophobicContact CE1-CG1 3.53Å; F433-V494 HydrophobicContact CE1-CG2 4.5Å; F433-V494 HydrophobicContact CE2-CB 3.8Å; F433-V494 HydrophobicContact CE2-CG1 4.18Å; F433-V494 HydrophobicContact CE2-CG2 3.7Å; F433-V494 HydrophobicContact CG-CB 4.29Å; F433-V494 HydrophobicContact CZ-CB 3.59Å; F433-V494 HydrophobicContact CZ-CG1 3.47Å; F433-V494 VanDerWaalsContact CZ-CG1 3.47Å; F433-V494 HydrophobicContact CZ-CG2 3.85Å; F433-V494 PolarHBondContact N-O 3.28Å; F433-V494 VanDerWaalsContact N-O 3.08Å; F433-V494 PolarHBondContact O-N 3.02Å; T443-V494 HydrophobicContact CG2-CG2 3.95Å; I447-V494 HydrophobicContact CD1-CG1 3.78Å; I447-V494 HydrophobicContact CD1-CG2 4.08Å; V483-V494 HydrophobicContact CG1-CG1 3.45Å; V483-V494 VanDerWaalsContact CG1-CG1 3.45Å
495	D	86.9	Confident	84.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.2	-178.6	-171.9	15.5	0	0	0	110.3	R429 R432 L484 Y486 R497	R429-D495 IonicContact NH1-OD1 3.25Å; R432-D495 HydrophobicContact CG-CB 4.23Å; R432-D495 WeakPolarHBondContact CG-OD1 3.36Å; R432-D495 IonicContact CZ-OD1 3.54Å; R432-D495 IonicContact CZ-OD2 3.32Å; R432-D495 IonicContact NE-OD1 2.84Å; R432-D495 PolarHBondContact NE-OD1 2.97Å; R432-D495 IonicContact NE-OD2 2.72Å; R432-D495 PolarHBondContact NE-OD2 3.42Å; R432-D495 IonicContact NH2-OD1 3.42Å; R432-D495 IonicContact NH2-OD2 2.74Å; R432-D495 PolarHBondContact NH2-OD2 3.31Å; L484-D495 HydrophobicContact CB-CB 4.42Å; L484-D495 PolarHBondContact N-O 3.04Å; L484-D495 PolarHBondContact O-N 3.23Å; Y486-D495 HydrophobicContact CD2-CB 4.21Å; Y486-D495 HydrophobicContact CE2-CB 3.73Å; D495-R497 IonicContact OD1-NE 3.59Å; D495-R497 IonicContact OD2-CZ 3.77Å; D495-R497 IonicContact OD2-NE 3.63Å; D495-R497 PolarHBondContact OD2-NE 2.83Å; D495-R497 IonicContact OD2-NH2 2.75Å; D495-R497 PolarHBondContact OD2-NH2 3.27Å
496	C	89.6	Confident	84.2	Confident	5 Å²	5	33 Å²	33	3%	0.034	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.9	175.4	-63.6	0	0	0	0	109.5	T431 R482 F506 Y510	T431-C496 WeakPolarHBondContact CB-O 3.31Å; T431-C496 WeakPolarHBondContact O-CB 3.38Å; T431-C496 PolarHBondContact O-N 2.75Å; T431-C496 PolarHBondContact OG1-O 3.1Å; R482-C496 CarbonylContact O-C 3.57Å; R482-C496 VanDerWaalsContact O-CA 3.28Å; R482-C496 WeakPolarHBondContact O-CA 3.39Å; C496-F506 HydrophobicContact CB-CE2 4.35Å; C496-F506 HydrophobicContact CB-CZ 4.33Å; C496-Y510 HydrophobicContact CB-CD2 3.59Å; C496-Y510 HydrophobicContact CB-CE2 3.87Å
497	R	82.6	Confident	84	Confident	34 Å²	34	30.6 Å²	30.6	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.4	-176.5	-62.4	-172.4	-175.4	-172.6	5.5	111.7	C61 F481 R482 Y486 D495 V499	C61-R497 PolarHBondContact O-NH1 3.26Å; F481-R497 CarbonylContact C-O 3.43Å; F481-R497 WeakPolarHBondContact CA-O 3.37Å; F481-R497 VanDerWaalsContact CB-O 3.25Å; F481-R497 WeakPolarHBondContact CB-O 3.2Å; R482-R497 PolarHBondContact N-O 2.86Å; R482-R497 PolarHBondContact O-N 2.82Å; Y486-R497 PolarHBondContact OH-NH2 2.97Å; D495-R497 IonicContact OD1-NE 3.59Å; D495-R497 IonicContact OD2-CZ 3.77Å; D495-R497 IonicContact OD2-NE 3.63Å; D495-R497 PolarHBondContact OD2-NE 2.83Å; D495-R497 IonicContact OD2-NH2 2.75Å; D495-R497 PolarHBondContact OD2-NH2 3.27Å; R497-V499 PolarHBondContact O-N 3.44Å
498	R	84.3	Confident	83.9	Confident	64 Å²	64	31.2 Å²	31.2	24%	0.242	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.6	168	-171.1	172.4	63.5	86.9	9.5	110.1	G501 F506	R498-G501 PolarHBondContact NH1-O 2.79Å; R498-F506 HydrophobicContact CB-CB 4.48Å; R498-F506 HydrophobicContact CB-CD1 3.76Å; R498-F506 HydrophobicContact CB-CD2 4.41Å; R498-F506 HydrophobicContact CB-CE1 4.04Å; R498-F506 HydrophobicContact CB-CG 3.93Å; R498-F506 HydrophobicContact CB-CZ 4.49Å; R498-F506 HydrophobicContact CG-CB 4.3Å; R498-F506 HydrophobicContact CG-CD1 4.43Å; R498-F506 HydrophobicContact CG-CG 4.29Å
499	V	83.2	Confident	84.4	Confident	18 Å²	18	29.6 Å²	29.6	11%	0.109	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-45.3	174.6	173.9	0	0	0	0	109.9	E64 G65 L468 A480 R482 R497	E64-V499 CarbonylContact C-O 3.58Å; E64-V499 HydrophobicContact CG-CG1 4Å; E64-V499 VanDerWaalsContact O-O 3.12Å; G65-V499 WeakPolarHBondContact CA-O 3.3Å; L468-V499 HydrophobicContact CD1-CG2 4.1Å; A480-V499 HydrophobicContact CB-CB 4.49Å; A480-V499 PolarHBondContact O-N 3.5Å; R482-V499 HydrophobicContact CB-CG2 4.13Å; R482-V499 HydrophobicContact CG-CG2 3.51Å; R497-V499 PolarHBondContact O-N 3.44Å
500	S	81.1	Confident	84.9	Confident	33 Å²	33	25.4 Å²	25.4	23%	0.231	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	166.3	-174.2	58.2	0	0	0	0	111.5	G478 T479 A480	G478-S500 CarbonylContact O-C 3.6Å; G478-S500 WeakPolarHBondContact O-CB 3.26Å; G478-S500 PolarHBondContact O-OG 3.14Å; T479-S500 WeakPolarHBondContact CA-O 3.3Å; A480-S500 PolarHBondContact N-O 3.48Å; A480-S500 PolarHBondContact O-N 3.11Å
501	G	81	Confident	85	Confident	41 Å²	41	23.4 Å²	23.4	42%	0.423	13%	0.134	S	C	.	.	S	Bend	trans	68.8	-143.5	176.4	0	0	0	0	0	113.1	R498	R498-G501 PolarHBondContact NH1-O 2.79Å
502	D	80.9	Confident	85.2	Confident	23 Å²	23	23.4 Å²	23.4	12%	0.123	14%	0.136	C	C	.	.			trans	-82	117.5	-157.4	-169.2	83.4	0	0	0	114.4	R264 H476 T479 L504 L505 F506	R264-D502 IonicContact CZ-OD1 3.32Å; R264-D502 IonicContact CZ-OD2 3.45Å; R264-D502 IonicContact NE-OD1 3.1Å; R264-D502 IonicContact NH1-OD1 2.78Å; R264-D502 PolarHBondContact NH1-OD1 3.16Å; R264-D502 IonicContact NH1-OD2 3.6Å; R264-D502 PolarHBondContact NH1-OD2 3.42Å; R264-D502 IonicContact NH2-OD1 3.48Å; R264-D502 PolarHBondContact NH2-OD1 3.12Å; R264-D502 IonicContact NH2-OD2 2.67Å; R264-D502 PolarHBondContact NH2-OD2 2.74Å; H476-D502 HydrophobicContact CB-CB 3.87Å; H476-D502 IonicContact CE1-OD1 3.44Å; H476-D502 IonicContact ND1-OD1 3.69Å; H476-D502 PolarHBondContact ND1-OD1 2.96Å; T479-D502 HydrophobicContact CG2-CB 4.08Å; T479-D502 WeakPolarHBondContact CG2-O 3.18Å; T479-D502 VanDerWaalsContact OG1-CB 3.32Å; T479-D502 WeakPolarHBondContact OG1-CB 3.44Å; T479-D502 PolarHBondContact OG1-N 3.48Å; D502-L504 PolarHBondContact OD2-N 2.71Å; D502-L505 HydrophobicContact CB-CB 3.92Å; D502-L505 HydrophobicContact CB-CD2 4.5Å; D502-L505 WeakPolarHBondContact OD2-CB 3.31Å; D502-L505 PolarHBondContact OD2-N 2.82Å; D502-F506 WeakPolarHBondContact O-CB 3.44Å; D502-F506 PolarHBondContact O-N 3.18Å
503	G	78.4	Confident	85.3	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-42.6	-177.1	0	0	0	0	0	115.2	F506 H507	G503-F506 WeakPolarHBondContact O-CB 3.45Å; G503-H507 PolarHBondContact O-N 2.69Å; G503-H507 VanDerWaalsContact O-N 3.09Å; G503-H507 PolarHBondContact O-ND1 3.47Å
504	L	79	Confident	85.4	Confident	19 Å²	19	25.4 Å²	25.4	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-74	-41.9	-176.3	-174.2	62.6	0	0	0	110.8	I158 R264 D502 F506 H507 Q508	I158-L504 HydrophobicContact CB-CD1 4.31Å; I158-L504 HydrophobicContact CD1-CD1 4.39Å; I158-L504 HydrophobicContact CG1-CD1 3.87Å; I158-L504 HydrophobicContact CG2-CD1 3.73Å; R264-L504 HydrophobicContact CB-CD2 4.43Å; R264-L504 HydrophobicContact CG-CD2 3.86Å; R264-L504 VanDerWaalsContact CZ-CB 3.48Å; R264-L504 VanDerWaalsContact NH2-CB 3.3Å; D502-L504 PolarHBondContact OD2-N 2.71Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.14Å; L504-H507 PolarHBondContact O-N 2.96Å; L504-Q508 WeakPolarHBondContact O-CB 3.31Å; L504-Q508 WeakPolarHBondContact O-CG 3.11Å; L504-Q508 PolarHBondContact O-N 2.81Å
505	L	84.1	Confident	85.4	Confident	22 Å²	22	29.6 Å²	29.6	12%	0.115	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-44.2	174.4	179.5	60.6	0	0	0	110.5	I471 T473 H476 T479 D502 H507 Q508 T509	I471-L505 HydrophobicContact CB-CD2 4.5Å; I471-L505 HydrophobicContact CD1-CG 4.15Å; I471-L505 HydrophobicContact CG2-CD1 4.39Å; I471-L505 HydrophobicContact CG2-CD2 3.96Å; I471-L505 HydrophobicContact CG2-CG 4.14Å; T473-L505 HydrophobicContact CG2-CD2 4Å; H476-L505 HydrophobicContact CB-CD2 3.7Å; T479-L505 HydrophobicContact CG2-CD2 4.18Å; T479-L505 HydrophobicContact CG2-CG 4.44Å; D502-L505 HydrophobicContact CB-CB 3.92Å; D502-L505 HydrophobicContact CB-CD2 4.5Å; D502-L505 WeakPolarHBondContact OD2-CB 3.31Å; D502-L505 PolarHBondContact OD2-N 2.82Å; L505-H507 PolarHBondContact O-N 3.08Å; L505-Q508 PolarHBondContact O-N 3.2Å; L505-T509 WeakPolarHBondContact O-CB 3.34Å; L505-T509 PolarHBondContact O-N 3.19Å; L505-T509 PolarHBondContact O-OG1 3.47Å; L505-T509 VanDerWaalsContact O-OG1 3.08Å
506	F	85.7	Confident	85.7	Confident	8 Å²	8	32 Å²	32	4%	0.035	18%	0.182	C	C	.	.	H	α-helix	trans	-53.2	-52.8	171.8	159.6	-113.2	0	0	0	111.8	T431 F481 C496 R498 D502 G503 L504 Q508 T509 Y510	T431-F506 HydrophobicContact CG2-CE1 3.79Å; T431-F506 HydrophobicContact CG2-CZ 3.81Å; F481-F506 HydrophobicContact CB-CD2 3.32Å; F481-F506 HydrophobicContact CB-CE2 3.37Å; F481-F506 HydrophobicContact CB-CG 4.4Å; F481-F506 HydrophobicContact CB-CZ 4.46Å; F481-F506 AromaticContact CD1-CD2 3.77Å; F481-F506 HydrophobicContact CD1-CD2 3.77Å; F481-F506 HydrophobicContact CD1-CE2 4.23Å; F481-F506 HydrophobicContact CD2-CD2 4.23Å; F481-F506 AromaticContact CD2-CE2 3.83Å; F481-F506 HydrophobicContact CD2-CE2 3.83Å; F481-F506 AromaticContact CG-CD2 3.53Å; F481-F506 HydrophobicContact CG-CD2 3.53Å; F481-F506 AromaticContact CG-CE2 3.57Å; F481-F506 HydrophobicContact CG-CE2 3.57Å; C496-F506 HydrophobicContact CB-CE2 4.35Å; C496-F506 HydrophobicContact CB-CZ 4.33Å; R498-F506 HydrophobicContact CB-CB 4.48Å; R498-F506 HydrophobicContact CB-CD1 3.76Å; R498-F506 HydrophobicContact CB-CD2 4.41Å; R498-F506 HydrophobicContact CB-CE1 4.04Å; R498-F506 HydrophobicContact CB-CG 3.93Å; R498-F506 HydrophobicContact CB-CZ 4.49Å; R498-F506 HydrophobicContact CG-CB 4.3Å; R498-F506 HydrophobicContact CG-CD1 4.43Å; R498-F506 HydrophobicContact CG-CG 4.29Å; D502-F506 WeakPolarHBondContact O-CB 3.44Å; D502-F506 PolarHBondContact O-N 3.18Å; G503-F506 WeakPolarHBondContact O-CB 3.45Å; L504-F506 VanDerWaalsContact C-N 3.31Å; L504-F506 PolarHBondContact O-N 3.14Å; F506-Q508 PolarHBondContact O-N 3Å; F506-T509 PolarHBondContact O-N 2.95Å; F506-Y510 WeakPolarHBondContact O-CB 3.49Å; F506-Y510 PolarHBondContact O-N 2.55Å
507	H	81.8	Confident	85.9	Confident	19 Å²	19	31.8 Å²	31.8	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-36.8	-178.6	-78.4	125.1	0	0	0	112.9	F153 I158 T431 G503 L504 L505 Y510 A511	F153-H507 AromaticContact CD1-CE1 3.73Å; F153-H507 AromaticContact CE1-CE1 3.29Å; F153-H507 WeakPolarHBondContact CE1-CE1 3.09Å; F153-H507 AromaticContact CE1-ND1 3.18Å; F153-H507 WeakPolarHBondContact CE1-ND1 3.37Å; F153-H507 AromaticContact CZ-ND1 3.63Å; I158-H507 VanDerWaalsContact CD1-C 3.47Å; I158-H507 HydrophobicContact CD1-CB 3.23Å; I158-H507 HydrophobicContact CG1-CB 3.89Å; T431-H507 WeakPolarHBondContact CG2-CD2 3.18Å; G503-H507 PolarHBondContact O-N 2.69Å; G503-H507 VanDerWaalsContact O-N 3.09Å; G503-H507 PolarHBondContact O-ND1 3.47Å; L504-H507 PolarHBondContact O-N 2.96Å; L505-H507 PolarHBondContact O-N 3.08Å; H507-Y510 PolarHBondContact O-N 2.78Å; H507-A511 WeakPolarHBondContact O-CB 3.43Å; H507-A511 PolarHBondContact O-N 2.9Å
508	Q	84.8	Confident	86.4	Confident	95 Å²	95	32.1 Å²	32.1	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-45.4	175.3	-74.7	173.6	-19	0	0	111.4	I158 L504 L505 F506 A511 A512	I158-Q508 HydrophobicContact CD1-CG 4.14Å; I158-Q508 HydrophobicContact CG2-CG 4.34Å; L504-Q508 WeakPolarHBondContact O-CB 3.31Å; L504-Q508 WeakPolarHBondContact O-CG 3.11Å; L504-Q508 PolarHBondContact O-N 2.81Å; L505-Q508 PolarHBondContact O-N 3.2Å; F506-Q508 PolarHBondContact O-N 3Å; Q508-A511 PolarHBondContact O-N 3.42Å; Q508-A512 PolarHBondContact O-N 3.45Å
509	T	91.1	Very high	86.8	Confident	8 Å²	8	33.4 Å²	33.4	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-43	175.3	-63.3	0	0	0	0	111.5	L457 I471 F481 L505 F506 A512 I513	L457-T509 HydrophobicContact CD1-CG2 3.8Å; L457-T509 HydrophobicContact CD2-CG2 3.74Å; L457-T509 HydrophobicContact CG-CG2 4.42Å; I471-T509 HydrophobicContact CD1-CG2 4.01Å; I471-T509 WeakPolarHBondContact CD1-OG1 3.33Å; I471-T509 HydrophobicContact CG1-CG2 4.47Å; F481-T509 HydrophobicContact CE1-CG2 3.83Å; F481-T509 HydrophobicContact CZ-CG2 4.21Å; L505-T509 WeakPolarHBondContact O-CB 3.34Å; L505-T509 PolarHBondContact O-N 3.19Å; L505-T509 PolarHBondContact O-OG1 3.47Å; L505-T509 VanDerWaalsContact O-OG1 3.08Å; F506-T509 PolarHBondContact O-N 2.95Å; T509-A512 PolarHBondContact O-N 3.17Å; T509-I513 HydrophobicContact CG2-CD1 3.86Å; T509-I513 WeakPolarHBondContact O-CG1 3.37Å; T509-I513 PolarHBondContact O-N 2.97Å
510	Y	89.5	Confident	87.3	Confident	18 Å²	18	38 Å²	38	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-49.4	173.4	167.5	-95.1	0	0	0	111.6	M430 T431 F433 C496 F506 H507 A512 I513 Y514	M430-Y510 WeakPolarHBondContact O-CE1 3.47Å; M430-Y510 PolarHBondContact O-OH 2.74Å; T431-Y510 VanDerWaalsContact CA-CZ 3.42Å; T431-Y510 HydrophobicContact CG2-CD1 3.87Å; T431-Y510 HydrophobicContact CG2-CD2 4.43Å; T431-Y510 HydrophobicContact CG2-CE1 4.18Å; T431-Y510 HydrophobicContact CG2-CG 4.02Å; T431-Y510 WeakPolarHBondContact O-CE2 3.37Å; F433-Y510 HydrophobicContact CD1-CE2 4.15Å; F433-Y510 HydrophobicContact CE1-CE2 4.19Å; C496-Y510 HydrophobicContact CB-CD2 3.59Å; C496-Y510 HydrophobicContact CB-CE2 3.87Å; F506-Y510 WeakPolarHBondContact O-CB 3.49Å; F506-Y510 PolarHBondContact O-N 2.55Å; H507-Y510 PolarHBondContact O-N 2.78Å; Y510-A512 VanDerWaalsContact C-N 3.26Å; Y510-A512 PolarHBondContact O-N 3.03Å; Y510-I513 PolarHBondContact O-N 3.22Å; Y510-Y514 WeakPolarHBondContact O-CB 3.39Å; Y510-Y514 PolarHBondContact O-N 3.25Å
511	A	85.4	Confident	87.9	Confident	42 Å²	42	38.7 Å²	38.7	35%	0.347	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-38.3	-179.1	0	0	0	0	0	112	H507 Q508 T515	H507-A511 WeakPolarHBondContact O-CB 3.43Å; H507-A511 PolarHBondContact O-N 2.9Å; Q508-A511 PolarHBondContact O-N 3.42Å; A511-T515 WeakPolarHBondContact O-CB 3.18Å; A511-T515 PolarHBondContact O-N 3.13Å; A511-T515 PolarHBondContact O-OG1 3.26Å
512	A	89.6	Confident	88.5	Confident	28 Å²	28	36.9 Å²	36.9	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-66.9	-45.8	176.2	0	0	0	0	0	111.9	R454 Q508 T509 Y510 Y514 T515 D516	R454-A512 PolarHBondContact NH2-O 3.36Å; Q508-A512 PolarHBondContact O-N 3.45Å; T509-A512 PolarHBondContact O-N 3.17Å; Y510-A512 VanDerWaalsContact C-N 3.26Å; Y510-A512 PolarHBondContact O-N 3.03Å; A512-Y514 PolarHBondContact O-N 3.36Å; A512-T515 PolarHBondContact O-N 3.44Å; A512-D516 PolarHBondContact O-N 2.9Å; A512-D516 VanDerWaalsContact O-N 3.15Å
513	I	93.2	Very high	89	Confident	9 Å²	9	36.3 Å²	36.3	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-43.3	174.9	-69.2	163.5	0	0	0	111.2	V450 V451 L457 F481 T509 Y510 T515 D516 L517	V450-I513 HydrophobicContact CG1-CB 4.49Å; V450-I513 HydrophobicContact CG1-CG2 4.05Å; V451-I513 HydrophobicContact CG2-CD1 3.96Å; L457-I513 HydrophobicContact CD1-CD1 3.96Å; L457-I513 HydrophobicContact CD1-CG1 4.47Å; F481-I513 HydrophobicContact CE2-CD1 4.42Å; F481-I513 HydrophobicContact CZ-CD1 3.66Å; T509-I513 HydrophobicContact CG2-CD1 3.86Å; T509-I513 WeakPolarHBondContact O-CG1 3.37Å; T509-I513 PolarHBondContact O-N 2.97Å; Y510-I513 PolarHBondContact O-N 3.22Å; I513-T515 VanDerWaalsContact C-N 3.29Å; I513-T515 PolarHBondContact O-N 2.82Å; I513-D516 PolarHBondContact O-N 3.26Å; I513-L517 HydrophobicContact CG2-CD1 3.72Å; I513-L517 HydrophobicContact CG2-CG 4.24Å; I513-L517 WeakPolarHBondContact O-CB 3.27Å; I513-L517 VanDerWaalsContact O-CG 3.31Å; I513-L517 WeakPolarHBondContact O-CG 3.4Å; I513-L517 PolarHBondContact O-N 3.31Å
514	Y	90.9	Very high	89.5	Confident	47 Å²	47	38.1 Å²	38.1	18%	0.184	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-39.4	178.3	179.1	-91.9	0	0	0	111.7	F433 Y510 A512 L517 S518 V523	F433-Y514 HydrophobicContact CB-CD2 4.23Å; F433-Y514 HydrophobicContact CB-CE2 3.68Å; F433-Y514 AromaticContact CD1-CD2 3.92Å; F433-Y514 HydrophobicContact CD1-CD2 3.92Å; F433-Y514 HydrophobicContact CD1-CE2 4.25Å; F433-Y514 HydrophobicContact CE1-CD2 4.45Å; F433-Y514 HydrophobicContact CG-CD2 4.05Å; F433-Y514 AromaticContact CG-CE2 3.93Å; F433-Y514 HydrophobicContact CG-CE2 3.93Å; Y510-Y514 WeakPolarHBondContact O-CB 3.39Å; Y510-Y514 PolarHBondContact O-N 3.25Å; A512-Y514 PolarHBondContact O-N 3.36Å; Y514-L517 PolarHBondContact O-N 3.12Å; Y514-S518 WeakPolarHBondContact CE1-OG 3.24Å; Y514-S518 VanDerWaalsContact O-CB 3.3Å; Y514-S518 WeakPolarHBondContact O-CB 3.33Å; Y514-S518 PolarHBondContact O-N 3.35Å; Y514-S518 PolarHBondContact O-OG 3.09Å; Y514-V523 HydrophobicContact CD2-CG2 4.32Å; Y514-V523 HydrophobicContact CE2-CG1 3.7Å; Y514-V523 HydrophobicContact CE2-CG2 4.08Å
515	T	89.6	Confident	89.7	Confident	88 Å²	88	42.6 Å²	42.6	54%	0.54	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-47.1	176.2	-57.9	0	0	0	0	110.9	A511 A512 I513 S518 A519	A511-T515 WeakPolarHBondContact O-CB 3.18Å; A511-T515 PolarHBondContact O-N 3.13Å; A511-T515 PolarHBondContact O-OG1 3.26Å; A512-T515 PolarHBondContact O-N 3.44Å; I513-T515 VanDerWaalsContact C-N 3.29Å; I513-T515 PolarHBondContact O-N 2.82Å; T515-S518 PolarHBondContact O-N 3.37Å; T515-A519 WeakPolarHBondContact O-CB 3.39Å; T515-A519 PolarHBondContact O-N 3.19Å
516	D	93.8	Very high	89.4	Confident	49 Å²	49	46.7 Å²	46.7	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-46.8	177.5	-58.6	-20	0	0	0	111.3	V450 R454 A512 I513 S518 A519 M520	V450-D516 HydrophobicContact CG1-CB 3.69Å; R454-D516 IonicContact CZ-OD2 3.21Å; R454-D516 VanDerWaalsContact CZ-OD2 3.25Å; R454-D516 IonicContact NE-OD2 3.15Å; R454-D516 PolarHBondContact NE-OD2 3.01Å; R454-D516 VanDerWaalsContact NH2-CG 3.32Å; R454-D516 IonicContact NH2-OD1 2.95Å; R454-D516 PolarHBondContact NH2-OD1 3.09Å; R454-D516 IonicContact NH2-OD2 3.3Å; R454-D516 PolarHBondContact NH2-OD2 3.33Å; A512-D516 PolarHBondContact O-N 2.9Å; A512-D516 VanDerWaalsContact O-N 3.15Å; I513-D516 PolarHBondContact O-N 3.26Å; D516-S518 VanDerWaalsContact C-N 3.31Å; D516-S518 PolarHBondContact O-N 2.76Å; D516-A519 PolarHBondContact O-N 2.77Å; D516-M520 WeakPolarHBondContact O-CG 3.48Å; D516-M520 PolarHBondContact O-N 3.01Å
517	L	94.8	Very high	88.9	Confident	2 Å²	2	47 Å²	47	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-38.2	178.1	-71	170.5	0	0	0	112.3	F433 V446 I447 V450 I513 Y514 M520 G521 A522 V523	F433-L517 HydrophobicContact CE1-CD1 4.37Å; F433-L517 HydrophobicContact CE2-CD1 4.23Å; F433-L517 HydrophobicContact CZ-CD1 3.61Å; V446-L517 HydrophobicContact CG1-CD2 3.83Å; I447-L517 HydrophobicContact CG1-CD1 4.07Å; I447-L517 HydrophobicContact CG1-CD2 4.14Å; V450-L517 HydrophobicContact CB-CD2 4.4Å; V450-L517 HydrophobicContact CG2-CD2 3.82Å; V450-L517 HydrophobicContact CG2-CG 4.36Å; I513-L517 HydrophobicContact CG2-CD1 3.72Å; I513-L517 HydrophobicContact CG2-CG 4.24Å; I513-L517 WeakPolarHBondContact O-CB 3.27Å; I513-L517 VanDerWaalsContact O-CG 3.31Å; I513-L517 WeakPolarHBondContact O-CG 3.4Å; I513-L517 PolarHBondContact O-N 3.31Å; Y514-L517 PolarHBondContact O-N 3.12Å; L517-M520 PolarHBondContact O-N 3.37Å; L517-G521 PolarHBondContact O-N 3.25Å; L517-A522 HydrophobicContact CB-CB 4.39Å; L517-A522 HydrophobicContact CD2-CB 4.12Å; L517-A522 WeakPolarHBondContact O-CB 2.89Å; L517-A522 PolarHBondContact O-N 3.32Å; L517-V523 HydrophobicContact CB-CG2 3.77Å
518	S	91.6	Very high	88	Confident	41 Å²	41	50.8 Å²	50.8	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-67.3	-42.4	177.1	-59.9	0	0	0	0	111.1	Y514 T515 D516 M520 G521	Y514-S518 WeakPolarHBondContact CE1-OG 3.24Å; Y514-S518 VanDerWaalsContact O-CB 3.3Å; Y514-S518 WeakPolarHBondContact O-CB 3.33Å; Y514-S518 PolarHBondContact O-N 3.35Å; Y514-S518 PolarHBondContact O-OG 3.09Å; T515-S518 PolarHBondContact O-N 3.37Å; D516-S518 VanDerWaalsContact C-N 3.31Å; D516-S518 PolarHBondContact O-N 2.76Å; S518-M520 PolarHBondContact O-N 2.81Å; S518-G521 PolarHBondContact O-N 3.42Å
519	A	92.4	Very high	86.6	Confident	90 Å²	90	47 Å²	47	74%	0.744	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-30.3	175.5	0	0	0	0	0	112.5	T515 D516 G521	T515-A519 WeakPolarHBondContact O-CB 3.39Å; T515-A519 PolarHBondContact O-N 3.19Å; D516-A519 PolarHBondContact O-N 2.77Å; A519-G521 VanDerWaalsContact C-N 3.27Å; A519-G521 PolarHBondContact O-N 3.27Å
520	M	93.7	Very high	84.6	Confident	114 Å²	114	47.2 Å²	47.2	56%	0.562	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-1.7	173.9	-67.4	177.3	67.8	0	0	114.1	V446 V450 D516 L517 S518 A522	V446-M520 HydrophobicContact CG1-CE 4.04Å; V450-M520 HydrophobicContact CG2-SD 3.62Å; D516-M520 WeakPolarHBondContact O-CG 3.48Å; D516-M520 PolarHBondContact O-N 3.01Å; L517-M520 PolarHBondContact O-N 3.37Å; S518-M520 PolarHBondContact O-N 2.81Å; M520-A522 PolarHBondContact O-N 2.97Å
521	G	93.7	Very high	82.3	Confident	48 Å²	48	52.3 Å²	52.3	50%	0.495	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	18.7	-174.5	0	0	0	0	0	113.9	A436 L517 S518 A519 V523	A436-G521 WeakPolarHBondContact CB-O 2.83Å; L517-G521 PolarHBondContact O-N 3.25Å; S518-G521 PolarHBondContact O-N 3.42Å; A519-G521 VanDerWaalsContact C-N 3.27Å; A519-G521 PolarHBondContact O-N 3.27Å; G521-V523 VanDerWaalsContact C-N 3.34Å
522	A	94.5	Very high	80	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.033	32%	0.323	C	S	.	.			trans	-84.6	-9	180	0	0	0	0	0	113.1	S435 A436 L437 V446 L517 M520	S435-A522 WeakPolarHBondContact CA-O 3.37Å; A436-A522 PolarHBondContact N-O 2.92Å; L437-A522 HydrophobicContact CD1-CB 4.03Å; L437-A522 HydrophobicContact CD2-CB 4.48Å; L437-A522 HydrophobicContact CG-CB 4.25Å; V446-A522 HydrophobicContact CG1-CB 4.07Å; L517-A522 HydrophobicContact CB-CB 4.39Å; L517-A522 HydrophobicContact CD2-CB 4.12Å; L517-A522 WeakPolarHBondContact O-CB 2.89Å; L517-A522 PolarHBondContact O-N 3.32Å; M520-A522 PolarHBondContact O-N 2.97Å
523	V	92.1	Very high	77.3	Confident	10 Å²	10	53.9 Å²	53.9	6%	0.061	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-103.7	124.5	178.2	-179.3	0	0	0	0	109.8	F433 Y514 L517 G521 I525	F433-V523 HydrophobicContact CB-CG1 4.21Å; F433-V523 HydrophobicContact CD2-CB 4.36Å; F433-V523 HydrophobicContact CD2-CG1 4Å; F433-V523 HydrophobicContact CD2-CG2 3.82Å; F433-V523 HydrophobicContact CE2-CG2 3.94Å; F433-V523 HydrophobicContact CG-CG1 4.42Å; Y514-V523 HydrophobicContact CD2-CG2 4.32Å; Y514-V523 HydrophobicContact CE2-CG1 3.7Å; Y514-V523 HydrophobicContact CE2-CG2 4.08Å; L517-V523 HydrophobicContact CB-CG2 3.77Å; G521-V523 VanDerWaalsContact C-N 3.34Å; V523-I525 HydrophobicContact CB-CG2 4.43Å; V523-I525 HydrophobicContact CG1-CG2 3.96Å; V523-I525 PolarHBondContact O-N 2.69Å
524	N	89.2	Confident	74.2	Confident	39 Å²	39	57.4 Å²	57.4	21%	0.209	33%	0.333	C	S	.	.			trans	-78.8	86.3	172.6	-176.8	-9.6	0	0	0	109.4	F434 A436 T526 H527 L530	F434-N524 HydrophobicContact CB-CB 4.06Å; F434-N524 PolarHBondContact O-N 2.87Å; A436-N524 HydrophobicContact CB-CB 4.06Å; N524-T526 VanDerWaalsContact C-N 3.26Å; N524-T526 PolarHBondContact O-N 3.49Å; N524-T526 PolarHBondContact OD1-N 3.45Å; N524-T526 PolarHBondContact OD1-OG1 3.43Å; N524-T526 VanDerWaalsContact OD1-OG1 3.06Å; N524-H527 HydrophobicContact CB-CB 4.41Å; N524-H527 PolarHBondContact O-N 2.89Å; N524-H527 PolarHBondContact OD1-N 2.8Å; N524-L530 WeakPolarHBondContact O-CD1 3.31Å
525	I	81.5	Confident	71.2	Confident	113 Å²	113	60.9 Å²	60.9	58%	0.579	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.5	-179.7	59.9	171.3	0	0	0	113.9	V523	V523-I525 HydrophobicContact CB-CG2 4.43Å; V523-I525 HydrophobicContact CG1-CG2 3.96Å; V523-I525 PolarHBondContact O-N 2.69Å
526	T	78.7	Confident	68.3	Low	108 Å²	108	64.3 Å²	64.3	66%	0.663	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.2	-179.3	58.3	0	0	0	0	112.8	N524	N524-T526 VanDerWaalsContact C-N 3.26Å; N524-T526 PolarHBondContact O-N 3.49Å; N524-T526 PolarHBondContact OD1-N 3.45Å; N524-T526 PolarHBondContact OD1-OG1 3.43Å; N524-T526 VanDerWaalsContact OD1-OG1 3.06Å
527	H	74.5	Confident	65.2	Low	14 Å²	14	73 Å²	73	7%	0.065	40%	0.401	C	S	.	.			trans	-58.2	128.8	-179.6	-169.3	-84.8	0	0	0	109.7	F434 S491 N524 Y529 L530	F434-H527 HydrophobicContact CB-CB 3.93Å; F434-H527 AromaticContact CD1-CD2 3.69Å; F434-H527 AromaticContact CD1-CE1 3.77Å; F434-H527 AromaticContact CD1-CG 3.97Å; F434-H527 AromaticContact CD1-NE2 3.57Å; F434-H527 HydrophobicContact CD2-CB 4.01Å; F434-H527 AromaticContact CD2-CE1 3.88Å; F434-H527 AromaticContact CD2-CG 3.59Å; F434-H527 AromaticContact CD2-ND1 3.38Å; F434-H527 WeakPolarHBondContact CD2-ND1 3.43Å; F434-H527 AromaticContact CE1-CE1 3.51Å; F434-H527 AromaticContact CE1-NE2 3.6Å; F434-H527 AromaticContact CE2-CE1 3.65Å; F434-H527 AromaticContact CE2-ND1 3.45Å; F434-H527 WeakPolarHBondContact CE2-ND1 3.36Å; F434-H527 HydrophobicContact CG-CB 4.01Å; F434-H527 AromaticContact CG-CD2 3.66Å; F434-H527 AromaticContact CG-CE1 3.93Å; F434-H527 AromaticContact CG-CG 3.5Å; F434-H527 AromaticContact CG-ND1 3.68Å; F434-H527 AromaticContact CG-NE2 3.93Å; F434-H527 AromaticContact CZ-CE1 3.44Å; F434-H527 VanDerWaalsContact CZ-CE1 3.44Å; F434-H527 WeakPolarHBondContact CZ-CE1 3.46Å; F434-H527 AromaticContact CZ-ND1 3.76Å; S491-H527 PolarHBondContact OG-NE2 3.07Å; N524-H527 HydrophobicContact CB-CB 4.41Å; N524-H527 PolarHBondContact O-N 2.89Å; N524-H527 PolarHBondContact OD1-N 2.8Å; H527-Y529 WeakPolarHBondContact ND1-CB 3.39Å; H527-Y529 PolarHBondContact ND1-N 3.35Å; H527-Y529 PolarHBondContact O-N 3.13Å; H527-L530 HydrophobicContact CB-CD1 4.44Å; H527-L530 WeakPolarHBondContact O-CB 3.17Å; H527-L530 PolarHBondContact O-N 2.92Å
528	P	63.4	Low	62.2	Low	99 Å²	99	78.5 Å²	78.5	64%	0.643	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.5	-174.6	-27.9	33.6	0	0	0	113.8	L530 H531	P528-L530 VanDerWaalsContact C-N 3.31Å; P528-L530 PolarHBondContact O-N 2.77Å; P528-H531 PolarHBondContact O-N 3.19Å
529	Y	55	Low	59.2	Low	17 Å²	17	82.5 Å²	82.5	7%	0.067	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.2	176.7	-160.7	-92.5	0	0	0	114.1	F423 L426 F434 H527 H531 I532 L533	F423-Y529 HydrophobicContact CB-CD2 3.58Å; F423-Y529 HydrophobicContact CB-CE2 3.79Å; F423-Y529 HydrophobicContact CG-CD2 4.45Å; F423-Y529 WeakPolarHBondContact O-CE2 3.47Å; L426-Y529 WeakPolarHBondContact CB-OH 3.37Å; L426-Y529 PolarHBondContact O-OH 2.98Å; L426-Y529 VanDerWaalsContact O-OH 3.13Å; F434-Y529 AromaticContact CE2-CD1 3.64Å; F434-Y529 HydrophobicContact CE2-CD1 3.64Å; F434-Y529 AromaticContact CE2-CG 3.8Å; F434-Y529 HydrophobicContact CE2-CG 3.8Å; F434-Y529 HydrophobicContact CZ-CD1 4.21Å; F434-Y529 HydrophobicContact CZ-CG 4.13Å; H527-Y529 WeakPolarHBondContact ND1-CB 3.39Å; H527-Y529 PolarHBondContact ND1-N 3.35Å; H527-Y529 PolarHBondContact O-N 3.13Å; Y529-H531 VanDerWaalsContact C-N 3.34Å; Y529-I532 HydrophobicContact CD2-CD1 4.17Å; Y529-I532 HydrophobicContact CE2-CD1 4.39Å; Y529-I532 WeakPolarHBondContact O-CB 3.5Å; Y529-I532 PolarHBondContact O-N 2.92Å; Y529-L533 HydrophobicContact CD1-CD1 3.74Å; Y529-L533 HydrophobicContact CD1-CG 4.1Å; Y529-L533 HydrophobicContact CE1-CD1 3.86Å; Y529-L533 HydrophobicContact CE1-CD2 4.19Å; Y529-L533 HydrophobicContact CE1-CG 4.09Å
530	L	49.1	Very low	56.1	Low	12 Å²	12	84.6 Å²	84.6	6%	0.063	46%	0.464	C	S	.	.	H	α-helix	trans	-72.1	-27.5	176.5	-78.7	170.9	0	0	0	112.8	N524 H527 P528 I532 L533 L534	N524-L530 WeakPolarHBondContact O-CD1 3.31Å; H527-L530 HydrophobicContact CB-CD1 4.44Å; H527-L530 WeakPolarHBondContact O-CB 3.17Å; H527-L530 PolarHBondContact O-N 2.92Å; P528-L530 VanDerWaalsContact C-N 3.31Å; P528-L530 PolarHBondContact O-N 2.77Å; L530-I532 PolarHBondContact O-N 2.56Å; L530-L533 HydrophobicContact CD2-CB 4.46Å; L530-L533 HydrophobicContact CD2-CD1 4.1Å; L530-L533 WeakPolarHBondContact O-CA 3.41Å; L530-L533 PolarHBondContact O-N 2.62Å; L530-L534 PolarHBondContact O-N 3.39Å; L530-L534 VanDerWaalsContact O-N 3.11Å
531	H	40.8	Very low	53	Low	124 Å²	124	86.9 Å²	86.9	57%	0.574	47%	0.473	S	S	*	.	H	α-helix	trans	-63.4	-18.1	171.3	-69.5	-84.9	0	0	0	112.2	P528 Y529	P528-H531 PolarHBondContact O-N 3.19Å; Y529-H531 VanDerWaalsContact C-N 3.34Å
532	I	39	Very low	50	Low	89 Å²	89	90.3 Å²	90.3	46%	0.456	49%	0.486	S	S	.	.	H	α-helix	trans	-82.4	-24.1	170.2	-56.6	173.9	0	0	0	111.1	R428 Y529 L530	R428-I532 PolarHBondContact NH1-O 2.76Å; R428-I532 PolarHBondContact NH2-O 3.48Å; Y529-I532 HydrophobicContact CD2-CD1 4.17Å; Y529-I532 HydrophobicContact CE2-CD1 4.39Å; Y529-I532 WeakPolarHBondContact O-CB 3.5Å; Y529-I532 PolarHBondContact O-N 2.92Å; L530-I532 PolarHBondContact O-N 2.56Å
533	L	32.1	Very low	46.8	Very low	14 Å²	14	97.7 Å²	97.7	7%	0.073	53%	0.525	C	S	.	.	H	α-helix	trans	-98.9	-35.1	-167.1	-67	178.8	0	0	0	115.2	R428 Y529 L530	R428-L533 HydrophobicContact CB-CD2 4.35Å; R428-L533 HydrophobicContact CG-CD2 3.6Å; R428-L533 VanDerWaalsContact NH2-C 3.33Å; R428-L533 PolarHBondContact NH2-O 3.14Å; Y529-L533 HydrophobicContact CD1-CD1 3.74Å; Y529-L533 HydrophobicContact CD1-CG 4.1Å; Y529-L533 HydrophobicContact CE1-CD1 3.86Å; Y529-L533 HydrophobicContact CE1-CD2 4.19Å; Y529-L533 HydrophobicContact CE1-CG 4.09Å; L530-L533 HydrophobicContact CD2-CB 4.46Å; L530-L533 HydrophobicContact CD2-CD1 4.1Å; L530-L533 WeakPolarHBondContact O-CA 3.41Å; L530-L533 PolarHBondContact O-N 2.62Å
534	L	27.6	Very low	43.9	Very low	83 Å²	83	104.5 Å²	104.5	44%	0.435	56%	0.561	S	S	.	*	S	Bend	trans	-128.8	140.6	-173.9	-64.2	171.9	0	0	0	111.9	M430 L530	M430-L534 HydrophobicContact CE-CD2 4.3Å; L530-L534 PolarHBondContact O-N 3.39Å; L530-L534 VanDerWaalsContact O-N 3.11Å
535	P	28.8	Very low	40.9	Very low	120 Å²	120	107.2 Å²	107.2	78%	0.779	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-66.7	140.1	173.9	26.2	-30.8	0	0	0	111.1	R537	P535-R537 PolarHBondContact O-N 3.35Å
536	E	28	Very low	38.2	Very low	161 Å²	161	109.1 Å²	109.1	75%	0.752	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.3	173.2	-68.3	-175.4	166.1	0	0	110.3
537	R	28.5	Very low	35.8	Very low	230 Å²	230	109.8 Å²	109.8	87%	0.868	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.3	155.9	-79.8	-176.7	179.1	172.4	0.3	106	P535 T539	P535-R537 PolarHBondContact O-N 3.35Å; R537-T539 PolarHBondContact O-N 3.13Å
538	P	31.7	Very low	33.4	Very low	119 Å²	119	116.4 Å²	116.4	77%	0.773	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.2	118	176.4	22.8	-29.3	0	0	0	107.8	T540	P538-T540 PolarHBondContact O-N 3.17Å
539	T	29.4	Very low	31.6	Very low	125 Å²	125	119.5 Å²	119.5	77%	0.767	65%	0.651	S	S	*	*			trans	-61.4	107.8	165.3	40.6	0	0	0	0	106.3	R537 E541	R537-T539 PolarHBondContact O-N 3.13Å; T539-E541 PolarHBondContact O-N 2.88Å
540	T	27.6	Very low	30.2	Very low	134 Å²	134	121.7 Å²	121.7	82%	0.822	68%	0.679	S	S	*	*			trans	-68.2	85.7	160.6	48.3	0	0	0	0	106.3	P538	P538-T540 PolarHBondContact O-N 3.17Å
541	E	27.8	Very low	28.9	Very low	162 Å²	162	127.5 Å²	127.5	76%	0.757	72%	0.715	S	S	*	*			trans	-64.3	125.7	158.6	-75	-156.2	161.7	0	0	107.2	T539 N543	T539-E541 PolarHBondContact O-N 2.88Å; E541-N543 PolarHBondContact O-N 3.48Å
542	P	31.7	Very low	28	Very low	119 Å²	119	127 Å²	127	77%	0.773	72%	0.724	S	S	*	*			trans	-69.8	106.7	177.7	26.8	-29	0	0	0	108.2	N544	P542-N544 VanDerWaalsContact C-N 3.33Å; P542-N544 PolarHBondContact O-N 3.19Å
543	N	26	Very low	27.4	Very low	160 Å²	160	130.3 Å²	130.3	86%	0.856	74%	0.741	S	S	*	*			trans	-55.2	100.4	157.1	-88.7	-24.2	0	0	0	107.9	E541	E541-N543 PolarHBondContact O-N 3.48Å
544	N	31.3	Very low	27	Very low	152 Å²	152	134.2 Å²	134.2	81%	0.813	77%	0.769	S	S	*	*			trans	-143.3	95.9	154	-103.1	-14.1	0	0	0	110.2	P542	P542-N544 VanDerWaalsContact C-N 3.33Å; P542-N544 PolarHBondContact O-N 3.19Å
545	S	25.8	Very low	26.9	Very low	96 Å²	96	138.6 Å²	138.6	67%	0.671	79%	0.788	S	S	*	*			trans	-42.1	138.9	149.8	48.6	0	0	0	0	113
546	N	25.6	Very low	26.9	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	80%	0.795	S	S	*	*			trans	56.5	108.1	151.7	-66.4	-15.5	0	0	0	118.5
547	S	28	Very low	26.7	Very low	123 Å²	123	138.1 Å²	138.1	86%	0.86	79%	0.791	S	S	*	*				163.8	153.7	105	49.9	0	0	0	0	111.6
548	N	23.9	Very low	26.7	Very low	152 Å²	152	132.6 Å²	132.6	81%	0.813	79%	0.785	S	S	*	*			trans	-60.9	166.5	-170.8	-71.1	-32.2	0	0	0	116.2
549	D	26.2	Very low	26.4	Very low	164 Å²	164	132.6 Å²	132.6	88%	0.877	78%	0.783	S	S	*	*			trans	91.1	114.9	156.6	-65.2	-23.9	0	0	0	119.3
550	G	24.8	Very low	26.1	Very low	63 Å²	63	132.5 Å²	132.5	65%	0.649	78%	0.782	S	S	*	*				94.2	95.6	121.2	0	0	0	0	0	118.4
551	T	23	Very low	26	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	78%	0.782	S	S	*	*			trans	55	118.6	134.9	49.4	0	0	0	0	121.1
552	C	22	Very low	25.9	Very low	113 Å²	113	131.7 Å²	131.7	76%	0.764	78%	0.779	S	S	*	*				80.7	117.4	129.4	-76.1	0	0	0	0	121.4
553	I	25.2	Very low	25.6	Very low	159 Å²	159	134 Å²	134	82%	0.815	78%	0.779	S	S	*	*			trans	111	131.3	135.6	-62.3	158.1	0	0	0	117.3
554	S	24.1	Very low	25.5	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	78%	0.781	S	S	*	*			trans	-33.7	140.9	177	53.9	0	0	0	0	118.8
555	E	26.7	Very low	25.2	Very low	175 Å²	175	132.6 Å²	132.6	82%	0.818	78%	0.775	S	S	*	*				-177.2	90.8	122.6	-100.4	176.9	-163.5	0	0	109.6	S557	E555-S557 PolarHBondContact O-N 3.26Å
556	N	28.1	Very low	25.2	Very low	176 Å²	176	133.8 Å²	133.8	94%	0.941	78%	0.78	S	S	*	*			trans	-88	86.4	165.3	-88.1	-10.9	0	0	0	108.3
557	S	24.1	Very low	25.2	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	78%	0.78	S	S	*	*			trans	-83.2	126.8	162.5	28.9	0	0	0	0	109	E555 V559	E555-S557 PolarHBondContact O-N 3.26Å; S557-V559 PolarHBondContact O-N 3.3Å
558	P	27.4	Very low	25.1	Very low	115 Å²	115	131.1 Å²	131.1	75%	0.747	77%	0.773	S	S	*	*			trans	-73.3	128.5	180	27.3	-30.2	0	0	0	110.3	V560	P558-V560 PolarHBondContact O-N 2.77Å; P558-V560 VanDerWaalsContact O-N 3.09Å
559	V	25.8	Very low	25.1	Very low	119 Å²	119	132.6 Å²	132.6	72%	0.721	78%	0.777	S	S	*	*			trans	-62.9	109	172.1	176.6	0	0	0	0	108.9	S557 Y561	S557-V559 PolarHBondContact O-N 3.3Å; V559-Y561 HydrophobicContact CG1-CD2 4.28Å; V559-Y561 HydrophobicContact CG1-CE2 4Å; V559-Y561 PolarHBondContact O-N 2.88Å
560	V	23.6	Very low	25	Very low	122 Å²	122	133.8 Å²	133.8	74%	0.739	78%	0.777	S	S	*	*			trans	-69.4	106	174.8	178.4	0	0	0	0	108.8	P558 G562	P558-V560 PolarHBondContact O-N 2.77Å; P558-V560 VanDerWaalsContact O-N 3.09Å; V560-G562 PolarHBondContact O-N 2.92Å
561	Y	25.7	Very low	25.5	Very low	214 Å²	214	140.9 Å²	140.9	84%	0.839	81%	0.808	S	S	*	*			trans	-82.4	106.9	164.6	-82.8	-84.7	0	0	0	109.1	V559	V559-Y561 HydrophobicContact CG1-CD2 4.28Å; V559-Y561 HydrophobicContact CG1-CE2 4Å; V559-Y561 PolarHBondContact O-N 2.88Å
562	G	25.7	Very low	25.6	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	81%	0.807	S	S	*	*			trans	26.1	98.4	159.3	0	0	0	0	0	117.4	V560 L564	V560-G562 PolarHBondContact O-N 2.92Å; G562-L564 PolarHBondContact O-N 2.8Å; G562-L564 VanDerWaalsContact O-N 3.17Å
563	E	24	Very low	25.8	Very low	167 Å²	167	142.7 Å²	142.7	78%	0.78	81%	0.81	S	S	*	*			trans	-50.1	118.4	156.6	-70.2	-179.7	150.8	0	0	109.5	T565	E563-T565 PolarHBondContact O-N 3.42Å
564	L	25.7	Very low	25.8	Very low	173 Å²	173	141.8 Å²	141.8	91%	0.906	81%	0.809	S	S	*	*			trans	-67.3	88	157.5	-78.4	162.6	0	0	0	106.5	G562	G562-L564 PolarHBondContact O-N 2.8Å; G562-L564 VanDerWaalsContact O-N 3.17Å
565	T	24.5	Very low	25.9	Very low	109 Å²	109	144.5 Å²	144.5	67%	0.669	82%	0.818	S	S	*	*			trans	-53.1	123.1	172.1	39	0	0	0	0	109.4	E563 V567	E563-T565 PolarHBondContact O-N 3.42Å; T565-V567 PolarHBondContact O-N 3.08Å
566	P	25.4	Very low	25.9	Very low	121 Å²	121	142.6 Å²	142.6	79%	0.786	82%	0.817	S	S	*	*			trans	-66.8	121.8	170.4	9.2	-1.6	0	0	0	108.1	A568	P566-A568 PolarHBondContact O-N 3.03Å
567	V	25.5	Very low	25.8	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	81%	0.809	S	S	*	*			trans	-57	110.1	169.4	177.1	0	0	0	0	107.2	T565 M569	T565-V567 PolarHBondContact O-N 3.08Å; V567-M569 PolarHBondContact O-N 3.04Å; V567-M569 VanDerWaalsContact O-N 3.14Å
568	A	25.8	Very low	25.9	Very low	86 Å²	86	143.6 Å²	143.6	71%	0.711	82%	0.82	S	S	*	*			trans	-61.8	112.8	169.5	0	0	0	0	0	107.8	P566 E570	P566-A568 PolarHBondContact O-N 3.03Å; A568-E570 PolarHBondContact O-N 3.18Å; A568-E570 VanDerWaalsContact O-N 3.17Å
569	M	24.4	Very low	25.8	Very low	184 Å²	184	145.8 Å²	145.8	91%	0.906	83%	0.825	S	S	*	*			trans	-71.4	101.1	162.3	-77.3	-173	-176.9	0	0	107	V567 T571	V567-M569 PolarHBondContact O-N 3.04Å; V567-M569 VanDerWaalsContact O-N 3.14Å; M569-T571 PolarHBondContact O-N 3.04Å
570	E	23.6	Very low	25.8	Very low	189 Å²	189	148 Å²	148	88%	0.883	83%	0.834	S	S	*	*			trans	-62.6	124.7	157.7	-76.7	-178.9	154.8	0	0	108.1	A568	A568-E570 PolarHBondContact O-N 3.18Å; A568-E570 VanDerWaalsContact O-N 3.17Å
571	T	35.3	Very low	26	Very low	211 Å²	211	150.4 Å²	150.4	100%	1.294	84%	0.842	S	S	*	*			trans	-69.4	0	163.5	47	0	0	0	0	111.4	M569	M569-T571 PolarHBondContact O-N 3.04Å

Retrieved 571 of 571 residues in 121.5 ms (Link to these results)

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