A0A096NE25_PAPAN Loading...

NADPH--cytochrome P450 reductase

This enzyme is required for electron transfer from NADP to cytochrome P450 in microsomes. It can also provide electron transfer to heme oxygenase and cytochrome B5.

AlphaFold DB (A0A2K5NDR5), UniProt , Accession A0A096NE25, Species PAPAN (Papio anubis, Olive baboon), Gene POR, Length 680 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	33.5	Very low	234 Å²	234	148.5 Å²	148.5	100%	1.153	84%	0.837	S	S	*	*				0	95.9	0	-81.1	172.9	169.2	0	0	106.4
2	I	32.7	Very low	33.1	Very low	154 Å²	154	145.9 Å²	145.9	79%	0.79	84%	0.836	S	S	*	*				70.6	101	109.2	-65.5	175.5	0	0	0	109.5
3	N	33.2	Very low	33.1	Very low	128 Å²	128	142.8 Å²	142.8	68%	0.684	83%	0.828	S	S	*	*				72.3	142.6	93.9	-119.6	31.3	0	0	0	110.7
4	M	38.1	Very low	32.9	Very low	168 Å²	168	143.3 Å²	143.3	83%	0.828	83%	0.834	S	S	*	*			cis	-180	159.7	-3.9	-129.4	-174	-150.2	0	0	102.7
5	G	28.6	Very low	33.2	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	83%	0.833	S	S	*	*			trans	165.2	89.3	163.4	0	0	0	0	0	114.9
6	D	37.3	Very low	33.1	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	83%	0.833	S	S	*	*			trans	-65	154.1	169.8	-76.7	-42.4	0	0	0	113.9
7	S	31.5	Very low	33.1	Very low	124 Å²	124	143.7 Å²	143.7	87%	0.867	84%	0.835	S	S	*	*				-171.8	138.2	121.8	37.7	0	0	0	0	112.9
8	H	33.1	Very low	33.5	Very low	172 Å²	172	140.9 Å²	140.9	80%	0.796	83%	0.831	S	S	*	*			trans	-66.3	161.9	178.8	-80.8	-79.4	0	0	0	115.4
9	V	32.4	Very low	33.6	Very low	141 Å²	141	140.9 Å²	140.9	86%	0.855	83%	0.833	S	S	*	*				173.7	135.3	104.8	161	0	0	0	0	111.4
10	D	36.3	Very low	34.1	Very low	136 Å²	136	139 Å²	139	73%	0.727	83%	0.833	S	S	*	*			trans	-77	160.4	-179.1	-78.6	-51.6	0	0	0	116.2
11	T	31.4	Very low	34.5	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	83%	0.834	S	S	*	*			trans	170.7	140	132	27.3	0	0	0	0	107.6
12	S	28.5	Very low	34.9	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	82%	0.823	S	S	*	*			cis	-165.5	159.4	21.2	49.2	0	0	0	0	110
13	S	32.6	Very low	35.6	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	82%	0.824	S	S	*	*			trans	-86.1	154.3	179.5	53.5	0	0	0	0	114.5
14	T	31.3	Very low	36.5	Very low	150 Å²	150	137 Å²	137	92%	0.92	82%	0.824	S	S	*	*			trans	-157.2	145.7	136.2	26.2	0	0	0	0	111.4
15	V	37	Very low	37.5	Very low	135 Å²	135	136.3 Å²	136.3	82%	0.818	82%	0.823	S	S	*	*			trans	-98.6	147.1	-167.7	172.8	0	0	0	0	111.2
16	S	31.3	Very low	39.1	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	82%	0.815	S	S	*	*			trans	-173.9	145.6	135.8	58.5	0	0	0	0	114.1
17	E	34.2	Very low	41.1	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	79%	0.791	S	S	*	*			trans	-67.4	150.5	-168.5	-73.2	156.9	138.3	0	0	118.9
18	A	38.9	Very low	43	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	79%	0.786	S	S	*	*			trans	40.3	117.1	137	0	0	0	0	0	122
19	V	35.4	Very low	44.8	Very low	141 Å²	141	132.3 Å²	132.3	86%	0.855	78%	0.778	S	S	*	*			trans	-142.3	128.7	136.4	-178.9	0	0	0	0	108.4
20	A	43.9	Very low	46.7	Very low	101 Å²	101	129.1 Å²	129.1	84%	0.835	76%	0.756	S	S	*	*			trans	-77.2	126	170.7	0	0	0	0	0	109.6
21	E	41.8	Very low	48.7	Very low	184 Å²	184	126.4 Å²	126.4	86%	0.86	74%	0.744	S	S	*	*			trans	-114.8	115.8	166.2	-99.5	-178.9	167.2	0	0	109.1	V23	E21-V23 PolarHBondContact O-N 2.87Å
22	E	44.5	Very low	51	Low	196 Å²	196	124.1 Å²	124.1	92%	0.916	73%	0.726	S	S	*	*			trans	-59.9	126.7	174.3	-72.2	-179.8	145.3	0	0	110.5	S24	E22-S24 PolarHBondContact O-N 2.77Å
23	V	45.8	Very low	53.4	Low	136 Å²	136	123.6 Å²	123.6	82%	0.824	71%	0.713	S	S	*	*			trans	-70.7	103.1	167.6	-176.8	0	0	0	0	107.5	E21 L25	E21-V23 PolarHBondContact O-N 2.87Å; V23-L25 PolarHBondContact O-N 2.75Å; V23-L25 VanDerWaalsContact O-N 3.14Å
24	S	53.3	Low	55.7	Low	97 Å²	97	125.4 Å²	125.4	68%	0.678	71%	0.708	S	S	*	*			trans	-56.9	114.7	170	176.4	0	0	0	0	109.7	E22 F26	E22-S24 PolarHBondContact O-N 2.77Å; S24-F26 PolarHBondContact O-N 3.39Å; S24-F26 VanDerWaalsContact O-N 3.14Å; S24-F26 PolarHBondContact OG-O 2.91Å
25	L	58.9	Low	58	Low	155 Å²	155	121.7 Å²	121.7	81%	0.812	69%	0.688	S	S	*	*	S	Bend	trans	-69.3	-2	-178.1	-99.8	146.3	0	0	0	114.5	V23	V23-L25 PolarHBondContact O-N 2.75Å; V23-L25 VanDerWaalsContact O-N 3.14Å
26	F	62.9	Low	60.3	Low	139 Å²	139	119 Å²	119	61%	0.61	67%	0.672	S	S	*	*	S	Bend	trans	-139.5	133.4	-178.7	-61.6	-74.8	0	0	0	110.7	S24 D30 V31	S24-F26 PolarHBondContact O-N 3.39Å; S24-F26 VanDerWaalsContact O-N 3.14Å; S24-F26 PolarHBondContact OG-O 2.91Å; F26-D30 HydrophobicContact CB-CB 4.17Å; F26-D30 HydrophobicContact CD1-CB 4.34Å; F26-V31 HydrophobicContact CB-CG2 4.24Å
27	S	77.6	Confident	62.8	Low	51 Å²	51	117 Å²	117	36%	0.357	65%	0.651	S	S	.	*			trans	-72.1	157.5	173.4	73.6	0	0	0	0	110.4	T29 D30 V31	S27-T29 PolarHBondContact O-N 3.15Å; S27-T29 VanDerWaalsContact O-N 3.13Å; S27-T29 PolarHBondContact OG-OG1 3.27Å; S27-D30 VanDerWaalsContact CB-OD2 3.3Å; S27-D30 WeakPolarHBondContact CB-OD2 3.31Å; S27-D30 PolarHBondContact N-OD2 2.93Å; S27-D30 WeakPolarHBondContact O-CA 3.42Å; S27-D30 WeakPolarHBondContact O-CB 3.5Å; S27-D30 PolarHBondContact O-N 2.95Å; S27-D30 PolarHBondContact OG-N 3.24Å; S27-D30 PolarHBondContact OG-OD2 3.45Å; S27-V31 PolarHBondContact O-N 3.39Å; S27-V31 VanDerWaalsContact O-N 3.08Å
28	M	71.4	Confident	65.3	Low	156 Å²	156	111.2 Å²	111.2	77%	0.768	63%	0.628	S	S	*	*	H	α-helix	trans	-57.1	-30.8	177.5	-156.3	-178.4	85.9	0	0	112	V31 I32	M28-V31 PolarHBondContact O-N 2.79Å; M28-I32 HydrophobicContact CE-CD1 4.26Å; M28-I32 WeakPolarHBondContact O-CD1 3.22Å; M28-I32 VanDerWaalsContact O-CG1 3.26Å; M28-I32 WeakPolarHBondContact O-CG1 3.5Å; M28-I32 PolarHBondContact O-N 3.07Å; M28-I32 VanDerWaalsContact O-N 3.07Å
29	T	71.8	Confident	67.5	Low	101 Å²	101	108.4 Å²	108.4	62%	0.62	61%	0.608	S	S	*	*	H	α-helix	trans	-65.6	-37.7	171.3	26.3	0	0	0	0	113.2	S27 I32 L33	S27-T29 PolarHBondContact O-N 3.15Å; S27-T29 VanDerWaalsContact O-N 3.13Å; S27-T29 PolarHBondContact OG-OG1 3.27Å; T29-I32 PolarHBondContact O-N 3.09Å; T29-L33 WeakPolarHBondContact O-CB 3.46Å; T29-L33 PolarHBondContact O-N 3.34Å
30	D	73.1	Confident	69.5	Low	74 Å²	74	107 Å²	107	40%	0.396	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-37.9	176.2	-59	-45.3	0	0	0	111.3	F26 S27 L33 F34	F26-D30 HydrophobicContact CB-CB 4.17Å; F26-D30 HydrophobicContact CD1-CB 4.34Å; S27-D30 VanDerWaalsContact CB-OD2 3.3Å; S27-D30 WeakPolarHBondContact CB-OD2 3.31Å; S27-D30 PolarHBondContact N-OD2 2.93Å; S27-D30 WeakPolarHBondContact O-CA 3.42Å; S27-D30 WeakPolarHBondContact O-CB 3.5Å; S27-D30 PolarHBondContact O-N 2.95Å; S27-D30 PolarHBondContact OG-N 3.24Å; S27-D30 PolarHBondContact OG-OD2 3.45Å; D30-L33 PolarHBondContact O-N 3.31Å; D30-F34 WeakPolarHBondContact O-CB 3.45Å; D30-F34 PolarHBondContact O-N 3.1Å
31	V	76.3	Confident	71.2	Confident	79 Å²	79	106.9 Å²	106.9	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-66.2	-40	176.1	179.1	0	0	0	0	111.1	F26 S27 M28 S35	F26-V31 HydrophobicContact CB-CG2 4.24Å; S27-V31 PolarHBondContact O-N 3.39Å; S27-V31 VanDerWaalsContact O-N 3.08Å; M28-V31 PolarHBondContact O-N 2.79Å; V31-S35 VanDerWaalsContact O-CB 3.28Å; V31-S35 WeakPolarHBondContact O-CB 3.19Å; V31-S35 PolarHBondContact O-N 2.64Å; V31-S35 PolarHBondContact O-OG 3.29Å
32	I	80.9	Confident	73	Confident	93 Å²	93	101.4 Å²	101.4	48%	0.477	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-45.5	175.8	-68.6	165.5	0	0	0	110.6	M28 T29 F34 S35 V36	M28-I32 HydrophobicContact CE-CD1 4.26Å; M28-I32 WeakPolarHBondContact O-CD1 3.22Å; M28-I32 VanDerWaalsContact O-CG1 3.26Å; M28-I32 WeakPolarHBondContact O-CG1 3.5Å; M28-I32 PolarHBondContact O-N 3.07Å; M28-I32 VanDerWaalsContact O-N 3.07Å; T29-I32 PolarHBondContact O-N 3.09Å; I32-F34 VanDerWaalsContact C-N 3.34Å; I32-F34 PolarHBondContact O-N 3.42Å; I32-S35 PolarHBondContact O-N 3.08Å; I32-V36 HydrophobicContact CG2-CG2 4.48Å; I32-V36 WeakPolarHBondContact O-CG2 3.28Å; I32-V36 PolarHBondContact O-N 3.27Å
33	L	79.1	Confident	74.7	Confident	107 Å²	107	99 Å²	99	56%	0.56	54%	0.543	S	S	*	.	H	α-helix	trans	-62.8	-43.4	178.7	-171	69.2	0	0	0	111.1	T29 D30 S35 V36 I37	T29-L33 WeakPolarHBondContact O-CB 3.46Å; T29-L33 PolarHBondContact O-N 3.34Å; D30-L33 PolarHBondContact O-N 3.31Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.39Å; L33-V36 PolarHBondContact O-N 3.09Å; L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 WeakPolarHBondContact O-CB 3.46Å; L33-I37 VanDerWaalsContact O-CG1 3.23Å; L33-I37 WeakPolarHBondContact O-CG1 3.04Å; L33-I37 PolarHBondContact O-N 3.25Å
34	F	81.3	Confident	76.1	Confident	143 Å²	143	99 Å²	99	63%	0.627	53%	0.528	S	S	*	.	H	α-helix	trans	-63.2	-41	175.4	-160.3	-94.6	0	0	0	111.4	D30 I32 V36 I37 V38	D30-F34 WeakPolarHBondContact O-CB 3.45Å; D30-F34 PolarHBondContact O-N 3.1Å; I32-F34 VanDerWaalsContact C-N 3.34Å; I32-F34 PolarHBondContact O-N 3.42Å; F34-V36 PolarHBondContact O-N 3.14Å; F34-I37 PolarHBondContact O-N 2.85Å; F34-V38 HydrophobicContact CD1-CG2 3.77Å; F34-V38 HydrophobicContact CE1-CG2 3.63Å; F34-V38 HydrophobicContact CZ-CG2 4.31Å; F34-V38 WeakPolarHBondContact O-CB 3.2Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 2.66Å
35	S	78.9	Confident	77.2	Confident	71 Å²	71	102.1 Å²	102.1	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-65.4	-37.9	177	-58.8	0	0	0	0	112.6	V31 I32 L33 G39	V31-S35 VanDerWaalsContact O-CB 3.28Å; V31-S35 WeakPolarHBondContact O-CB 3.19Å; V31-S35 PolarHBondContact O-N 2.64Å; V31-S35 PolarHBondContact O-OG 3.29Å; I32-S35 PolarHBondContact O-N 3.08Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.39Å; S35-G39 PolarHBondContact O-N 2.84Å
36	V	84.7	Confident	78	Confident	78 Å²	78	101.3 Å²	101.3	47%	0.473	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-41.6	175	171.5	0	0	0	0	111	I32 L33 F34 G39 L40	I32-V36 HydrophobicContact CG2-CG2 4.48Å; I32-V36 WeakPolarHBondContact O-CG2 3.28Å; I32-V36 PolarHBondContact O-N 3.27Å; L33-V36 PolarHBondContact O-N 3.09Å; F34-V36 PolarHBondContact O-N 3.14Å; V36-G39 PolarHBondContact O-N 2.72Å; V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CB 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.17Å; V36-L40 PolarHBondContact O-N 3.33Å
37	I	84.4	Confident	78.1	Confident	78 Å²	78	101.5 Å²	101.5	40%	0.4	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-45.1	176.4	-70.2	167.1	0	0	0	110.3	L33 F34 G39 L40 L41	L33-I37 HydrophobicContact CG-CD1 3.98Å; L33-I37 WeakPolarHBondContact O-CB 3.46Å; L33-I37 VanDerWaalsContact O-CG1 3.23Å; L33-I37 WeakPolarHBondContact O-CG1 3.04Å; L33-I37 PolarHBondContact O-N 3.25Å; F34-I37 PolarHBondContact O-N 2.85Å; I37-G39 VanDerWaalsContact C-N 3.35Å; I37-L40 PolarHBondContact O-N 2.91Å; I37-L41 HydrophobicContact CG2-CD1 3.8Å; I37-L41 HydrophobicContact CG2-CG 4.43Å; I37-L41 VanDerWaalsContact O-CB 3.3Å; I37-L41 WeakPolarHBondContact O-CB 3.38Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 2.64Å
38	V	85.6	Confident	77.3	Confident	61 Å²	61	106.2 Å²	106.2	37%	0.37	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-39.5	175.8	172.1	0	0	0	0	110.9	F34 L41 T42	F34-V38 HydrophobicContact CD1-CG2 3.77Å; F34-V38 HydrophobicContact CE1-CG2 3.63Å; F34-V38 HydrophobicContact CZ-CG2 4.31Å; F34-V38 WeakPolarHBondContact O-CB 3.2Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 2.66Å; V38-L41 PolarHBondContact O-N 3.29Å; V38-T42 HydrophobicContact CG1-CG2 4.38Å; V38-T42 WeakPolarHBondContact O-CB 3.42Å; V38-T42 WeakPolarHBondContact O-CG2 3.28Å; V38-T42 PolarHBondContact O-N 3.24Å; V38-T42 PolarHBondContact O-OG1 3.28Å
39	G	85.4	Confident	76.3	Confident	35 Å²	35	108 Å²	108	36%	0.361	54%	0.54	S	S	.	.	H	α-helix	trans	-61.9	-43.2	173.8	0	0	0	0	0	113.4	S35 V36 I37 T42 Y43	S35-G39 PolarHBondContact O-N 2.84Å; V36-G39 PolarHBondContact O-N 2.72Å; I37-G39 VanDerWaalsContact C-N 3.35Å; G39-T42 WeakPolarHBondContact CA-OG1 3.48Å; G39-T42 PolarHBondContact O-OG1 2.94Å; G39-Y43 VanDerWaalsContact O-CB 3.23Å; G39-Y43 WeakPolarHBondContact O-CB 3.47Å; G39-Y43 PolarHBondContact O-N 2.89Å
40	L	78.6	Confident	75	Confident	112 Å²	112	112.3 Å²	112.3	59%	0.586	55%	0.55	S	S	*	*	H	α-helix	trans	-70.8	-38	176.2	-74.9	169.7	0	0	0	111.9	V36 I37 W44	V36-L40 HydrophobicContact CG1-CD1 3.94Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CB 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.17Å; V36-L40 PolarHBondContact O-N 3.33Å; I37-L40 PolarHBondContact O-N 2.91Å; L40-W44 WeakPolarHBondContact O-CB 3.15Å; L40-W44 PolarHBondContact O-N 3.47Å
41	L	78.7	Confident	73.5	Confident	98 Å²	98	118 Å²	118	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-43.3	175	-78.2	168.3	0	0	0	111.4	I37 V38 W44 F45	I37-L41 HydrophobicContact CG2-CD1 3.8Å; I37-L41 HydrophobicContact CG2-CG 4.43Å; I37-L41 VanDerWaalsContact O-CB 3.3Å; I37-L41 WeakPolarHBondContact O-CB 3.38Å; I37-L41 VanDerWaalsContact O-CG 3.28Å; I37-L41 WeakPolarHBondContact O-CG 3.25Å; I37-L41 PolarHBondContact O-N 2.64Å; V38-L41 PolarHBondContact O-N 3.29Å; L41-W44 PolarHBondContact O-N 2.91Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 PolarHBondContact O-N 3.46Å
42	T	79.9	Confident	71.8	Confident	69 Å²	69	122.7 Å²	122.7	42%	0.423	59%	0.588	S	S	.	*	H	α-helix	trans	-68.2	-41	176.2	44.7	0	0	0	0	111.9	V38 G39 F45 L46	V38-T42 HydrophobicContact CG1-CG2 4.38Å; V38-T42 WeakPolarHBondContact O-CB 3.42Å; V38-T42 WeakPolarHBondContact O-CG2 3.28Å; V38-T42 PolarHBondContact O-N 3.24Å; V38-T42 PolarHBondContact O-OG1 3.28Å; G39-T42 WeakPolarHBondContact CA-OG1 3.48Å; G39-T42 PolarHBondContact O-OG1 2.94Å; T42-F45 PolarHBondContact O-N 3.28Å; T42-L46 VanDerWaalsContact O-CB 3.28Å; T42-L46 WeakPolarHBondContact O-CB 3.34Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.07Å
43	Y	79.6	Confident	69.7	Low	145 Å²	145	126.6 Å²	126.6	57%	0.569	60%	0.604	S	S	*	*	H	α-helix	trans	-60.8	-45.1	171.4	-179.6	-97.3	0	0	0	111.3	G39 F45 L46 F47	G39-Y43 VanDerWaalsContact O-CB 3.23Å; G39-Y43 WeakPolarHBondContact O-CB 3.47Å; G39-Y43 PolarHBondContact O-N 2.89Å; Y43-F45 VanDerWaalsContact C-N 3.31Å; Y43-F45 PolarHBondContact O-N 3.13Å; Y43-L46 PolarHBondContact O-N 3.11Å; Y43-F47 AromaticContact CD2-CD2 3.31Å; Y43-F47 HydrophobicContact CD2-CD2 3.31Å; Y43-F47 AromaticContact CD2-CE2 3.68Å; Y43-F47 HydrophobicContact CD2-CE2 3.68Å; Y43-F47 HydrophobicContact CD2-CG 4.16Å; Y43-F47 HydrophobicContact CE2-CB 4.32Å; Y43-F47 AromaticContact CE2-CD2 3.38Å; Y43-F47 HydrophobicContact CE2-CD2 3.38Å; Y43-F47 AromaticContact CE2-CE2 3.73Å; Y43-F47 HydrophobicContact CE2-CE2 3.73Å; Y43-F47 AromaticContact CE2-CG 3.85Å; Y43-F47 HydrophobicContact CE2-CG 3.85Å; Y43-F47 HydrophobicContact CE2-CZ 4.45Å; Y43-F47 HydrophobicContact CG-CD2 4.06Å; Y43-F47 WeakPolarHBondContact O-CA 3.28Å; Y43-F47 VanDerWaalsContact O-CB 3.31Å; Y43-F47 WeakPolarHBondContact O-CB 3.26Å; Y43-F47 PolarHBondContact O-N 3.12Å
44	W	76.3	Confident	68	Low	137 Å²	137	127 Å²	127	52%	0.519	61%	0.611	S	S	.	*	H	α-helix	trans	-64	-34.6	176.6	-175.5	81.8	0	0	0	112.4	L40 L41 R48	L40-W44 WeakPolarHBondContact O-CB 3.15Å; L40-W44 PolarHBondContact O-N 3.47Å; L41-W44 PolarHBondContact O-N 2.91Å; W44-R48 WeakPolarHBondContact O-CB 3.18Å; W44-R48 PolarHBondContact O-N 3.32Å
45	F	76.4	Confident	65.9	Low	162 Å²	162	124.4 Å²	124.4	71%	0.711	61%	0.609	S	S	*	*	H	α-helix	trans	-78.7	-38.2	178.8	-137.2	-88.9	0	0	0	112.9	L41 T42 Y43	L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 PolarHBondContact O-N 3.46Å; T42-F45 PolarHBondContact O-N 3.28Å; Y43-F45 VanDerWaalsContact C-N 3.31Å; Y43-F45 PolarHBondContact O-N 3.13Å
46	L	74.9	Confident	63.7	Low	139 Å²	139	129.7 Å²	129.7	73%	0.728	63%	0.625	S	S	*	*	H	α-helix	trans	-79.3	-36.2	-179.7	-71.6	169.7	0	0	0	112.7	T42 Y43	T42-L46 VanDerWaalsContact O-CB 3.28Å; T42-L46 WeakPolarHBondContact O-CB 3.34Å; T42-L46 WeakPolarHBondContact O-CG 3.42Å; T42-L46 PolarHBondContact O-N 3.07Å; Y43-L46 PolarHBondContact O-N 3.11Å
47	F	65.4	Low	61.4	Low	143 Å²	143	134.7 Å²	134.7	63%	0.627	64%	0.641	S	S	*	*	S	Bend	trans	-102.8	10.8	179.1	-66.6	-86.2	0	0	0	113.3	Y43 K49	Y43-F47 AromaticContact CD2-CD2 3.31Å; Y43-F47 HydrophobicContact CD2-CD2 3.31Å; Y43-F47 AromaticContact CD2-CE2 3.68Å; Y43-F47 HydrophobicContact CD2-CE2 3.68Å; Y43-F47 HydrophobicContact CD2-CG 4.16Å; Y43-F47 HydrophobicContact CE2-CB 4.32Å; Y43-F47 AromaticContact CE2-CD2 3.38Å; Y43-F47 HydrophobicContact CE2-CD2 3.38Å; Y43-F47 AromaticContact CE2-CE2 3.73Å; Y43-F47 HydrophobicContact CE2-CE2 3.73Å; Y43-F47 AromaticContact CE2-CG 3.85Å; Y43-F47 HydrophobicContact CE2-CG 3.85Å; Y43-F47 HydrophobicContact CE2-CZ 4.45Å; Y43-F47 HydrophobicContact CG-CD2 4.06Å; Y43-F47 WeakPolarHBondContact O-CA 3.28Å; Y43-F47 VanDerWaalsContact O-CB 3.31Å; Y43-F47 WeakPolarHBondContact O-CB 3.26Å; Y43-F47 PolarHBondContact O-N 3.12Å; F47-K49 PolarHBondContact O-N 2.79Å
48	R	60.9	Low	58.8	Low	149 Å²	149	136.6 Å²	136.6	56%	0.562	66%	0.656	S	S	*	*			trans	-61.9	96.9	159.7	-141.2	171.9	159.9	178.2	-7	106.5	W44 K50	W44-R48 WeakPolarHBondContact O-CB 3.18Å; W44-R48 PolarHBondContact O-N 3.32Å; R48-K50 PolarHBondContact O-N 3.02Å
49	K	50.9	Low	56.1	Low	193 Å²	193	142.6 Å²	142.6	84%	0.839	68%	0.678	S	S	*	*			trans	-49.9	117.7	155	-86	-173.5	173.3	-176.2	0	104.8	F47 K51	F47-K49 PolarHBondContact O-N 2.79Å; K49-K51 PolarHBondContact O-N 3.23Å
50	K	43.8	Very low	53.5	Low	193 Å²	193	148.2 Å²	148.2	84%	0.839	70%	0.698	S	S	*	*			trans	-43.8	125.2	165.3	-84.7	-178.7	172.8	-178	0	104.7	R48 E52	R48-K50 PolarHBondContact O-N 3.02Å; K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.89Å
51	K	41.2	Very low	51.2	Low	192 Å²	192	151 Å²	151	84%	0.835	71%	0.708	S	S	*	*			trans	-50.4	113.5	158.2	-104.5	179.9	170.2	-176.4	0	102.8	K49 E53	K49-K51 PolarHBondContact O-N 3.23Å; K51-E53 PolarHBondContact O-N 3.29Å
52	E	41.6	Very low	48.8	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	72%	0.715	S	S	*	*			trans	-52	110	155.2	-82.7	176.8	162.2	0	0	102.6	K50 V54	K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.89Å; E52-V54 PolarHBondContact O-N 2.6Å
53	E	36.4	Very low	46.4	Very low	174 Å²	174	155.6 Å²	155.6	81%	0.813	73%	0.734	S	S	*	*			trans	-51.9	108.8	161.5	-74.2	176.2	173.4	0	0	102.6	K51 P55	K51-E53 PolarHBondContact O-N 3.29Å; E53-P55 VanDerWaalsContact C-N 3.3Å; E53-P55 WeakPolarHBondContact O-CD 3.44Å
54	V	42.3	Very low	44.1	Very low	115 Å²	115	153.3 Å²	153.3	70%	0.697	74%	0.735	S	S	*	*			trans	-47.7	114	158.2	179.5	0	0	0	0	101.4	E52 E56 F57	E52-V54 PolarHBondContact O-N 2.6Å; V54-E56 PolarHBondContact O-N 2.9Å; V54-F57 HydrophobicContact CG1-CE2 4.48Å
55	P	38.8	Very low	42.1	Very low	90 Å²	90	152.3 Å²	152.3	58%	0.584	75%	0.749	S	S	*	*			trans	-48.7	124.9	177.1	-20.8	29.6	0	0	0	103.6	E53 F57	E53-P55 VanDerWaalsContact C-N 3.3Å; E53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-F57 PolarHBondContact O-N 2.96Å
56	E	32.6	Very low	40.1	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	74%	0.741	S	S	*	*			trans	-49.2	109.6	159.7	-94.7	-174.8	159.5	0	0	102.7	V54 T58	V54-E56 PolarHBondContact O-N 2.9Å; E56-T58 PolarHBondContact O-N 3.28Å
57	F	35.8	Very low	38.4	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.803	74%	0.738	S	S	*	*			trans	-63.9	85.7	163.5	-75.6	-87.6	0	0	0	101.2	V54 P55 K59	V54-F57 HydrophobicContact CG1-CE2 4.48Å; P55-F57 PolarHBondContact O-N 2.96Å; F57-K59 PolarHBondContact O-N 2.87Å
58	T	29.8	Very low	37.4	Very low	118 Å²	118	147 Å²	147	72%	0.724	73%	0.734	S	S	*	*			trans	-43.4	111.7	145.3	-36.1	0	0	0	0	100.8	E56 I60	E56-T58 PolarHBondContact O-N 3.28Å; T58-I60 VanDerWaalsContact C-N 3.31Å; T58-I60 PolarHBondContact O-N 3.03Å
59	K	29.6	Very low	36.7	Very low	187 Å²	187	147.5 Å²	147.5	81%	0.813	74%	0.743	S	S	*	*			trans	-40.5	117.7	163.2	-84.7	-179.2	173.3	-177.2	0	102.2	F57 Q61	F57-K59 PolarHBondContact O-N 2.87Å; K59-Q61 PolarHBondContact O-N 3.14Å
60	I	30.5	Very low	37.6	Very low	154 Å²	154	141.8 Å²	141.8	79%	0.79	73%	0.727	S	S	*	*			trans	-56	98.9	161.2	-64.9	171.2	0	0	0	99.4	T58 T62	T58-I60 VanDerWaalsContact C-N 3.31Å; T58-I60 PolarHBondContact O-N 3.03Å; I60-T62 PolarHBondContact O-N 3.47Å
61	Q	30	Very low	39.8	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	70%	0.698	S	S	*	*			trans	-50.1	106.5	151.9	-98.5	-179.8	-16.1	0	0	99.4	K59 L63	K59-Q61 PolarHBondContact O-N 3.14Å; Q61-L63 PolarHBondContact O-N 2.68Å
62	T	27.8	Very low	42.3	Very low	110 Å²	110	125 Å²	125	68%	0.675	66%	0.658	S	S	*	*			trans	-45.3	103.1	163.9	-18.5	0	0	0	0	101.3	I60 T64	I60-T62 PolarHBondContact O-N 3.47Å; T62-T64 PolarHBondContact O-N 2.64Å
63	L	30	Very low	44.8	Very low	154 Å²	154	116.5 Å²	116.5	81%	0.806	62%	0.619	S	S	*	*			trans	-62.4	90.7	159.8	-83.7	160	0	0	0	99.8	Q61 S65	Q61-L63 PolarHBondContact O-N 2.68Å; L63-S65 PolarHBondContact O-N 2.71Å
64	T	30.8	Very low	47.5	Very low	98 Å²	98	113 Å²	113	60%	0.601	60%	0.602	S	S	*	*			trans	-61.8	72.2	159.4	32.3	0	0	0	0	104.2	T62 S66	T62-T64 PolarHBondContact O-N 2.64Å; T64-S66 PolarHBondContact O-N 2.72Å
65	S	34.7	Very low	49.9	Very low	115 Å²	115	108.4 Å²	108.4	80%	0.804	57%	0.573	S	S	*	*			trans	-77.9	62.1	157.9	65.8	0	0	0	0	106.3	L63	L63-S65 PolarHBondContact O-N 2.71Å
66	S	34.1	Very low	52.6	Low	78 Å²	78	104.1 Å²	104.1	55%	0.545	55%	0.545	S	S	.	.	S	Bend	trans	-123.4	122.9	143.2	56.9	0	0	0	0	104.2	T64 R68	T64-S66 PolarHBondContact O-N 2.72Å; S66-R68 VanDerWaalsContact C-N 3.33Å; S66-R68 PolarHBondContact O-N 3.04Å
67	V	38.6	Very low	55.6	Low	109 Å²	109	99.1 Å²	99.1	66%	0.661	52%	0.52	S	S	*	.			trans	-54.1	99	170.7	175.1	0	0	0	0	106.7	E69	V67-E69 HydrophobicContact CG1-CB 3.63Å; V67-E69 HydrophobicContact CG1-CG 3.22Å; V67-E69 VanDerWaalsContact CG1-OE1 3.31Å; V67-E69 WeakPolarHBondContact CG1-OE1 3.5Å; V67-E69 PolarHBondContact O-N 2.85Å
68	R	45.6	Very low	58.3	Low	147 Å²	147	97.4 Å²	97.4	56%	0.555	51%	0.513	S	S	*	.			trans	-70.1	68.8	165.7	-77.6	-174.3	178	-179.3	-1.6	106.8	S66 D121	S66-R68 VanDerWaalsContact C-N 3.33Å; S66-R68 PolarHBondContact O-N 3.04Å; R68-D121 IonicContact NH1-OD2 3.59Å
69	E	44.8	Very low	61.2	Low	159 Å²	159	92.7 Å²	92.7	74%	0.743	48%	0.483	S	S	*	.			trans	-85.8	121.3	175.5	-99.2	169.1	-165.5	0	0	109.2	V67	V67-E69 HydrophobicContact CG1-CB 3.63Å; V67-E69 HydrophobicContact CG1-CG 3.22Å; V67-E69 VanDerWaalsContact CG1-OE1 3.31Å; V67-E69 WeakPolarHBondContact CG1-OE1 3.5Å; V67-E69 PolarHBondContact O-N 2.85Å
70	S	70.1	Confident	64.3	Low	73 Å²	73	86 Å²	86	51%	0.51	47%	0.468	S	S	.	.			trans	83.7	116.1	172.4	75.8	0	0	0	0	117.3
71	S	89.9	Confident	67.4	Low	32 Å²	32	79.9 Å²	79.9	22%	0.224	44%	0.435	C	S	.	.			trans	-49.9	135.4	157.6	174.6	0	0	0	0	110.3	V73 E74 K75 D124	S71-V73 PolarHBondContact O-N 3.34Å; S71-V73 PolarHBondContact OG-N 3.36Å; S71-E74 PolarHBondContact O-N 2.79Å; S71-K75 PolarHBondContact O-N 3.37Å; S71-K75 VanDerWaalsContact O-N 3.09Å; S71-D124 WeakPolarHBondContact CA-OD2 3.33Å; S71-D124 WeakPolarHBondContact CB-OD2 3.41Å; S71-D124 VanDerWaalsContact OG-CG 3.22Å; S71-D124 PolarHBondContact OG-OD2 3.37Å
72	F	93.7	Very high	70.6	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.5	-28.8	176.1	68	-94.5	0	0	0	111.6	K75 M76 I84 F86 Y120 L122 D124 L125 L128	F72-K75 WeakPolarHBondContact O-CB 3.38Å; F72-K75 PolarHBondContact O-N 3.26Å; F72-M76 HydrophobicContact CD2-SD 4.05Å; F72-M76 VanDerWaalsContact O-CG 3.28Å; F72-M76 WeakPolarHBondContact O-CG 3.45Å; F72-M76 PolarHBondContact O-N 3.35Å; F72-I84 HydrophobicContact CB-CD1 3.95Å; F72-I84 HydrophobicContact CD2-CD1 3.61Å; F72-I84 HydrophobicContact CD2-CG2 4.48Å; F72-I84 HydrophobicContact CE2-CD1 4.39Å; F72-I84 HydrophobicContact CE2-CG2 4.39Å; F72-I84 HydrophobicContact CG-CD1 3.97Å; F72-F86 HydrophobicContact CD1-CZ 4.05Å; F72-F86 HydrophobicContact CD2-CZ 4.29Å; F72-F86 HydrophobicContact CE1-CZ 4.11Å; F72-F86 HydrophobicContact CE2-CE2 4.46Å; F72-F86 HydrophobicContact CE2-CZ 4.37Å; F72-F86 HydrophobicContact CG-CZ 4.13Å; F72-F86 HydrophobicContact CZ-CE2 4.42Å; F72-F86 HydrophobicContact CZ-CZ 4.29Å; F72-Y120 HydrophobicContact CB-CD1 3.59Å; F72-Y120 HydrophobicContact CB-CE1 3.75Å; F72-Y120 HydrophobicContact CB-CG 4.05Å; F72-Y120 HydrophobicContact CD1-CD1 4.44Å; F72-Y120 HydrophobicContact CD1-CG 4.38Å; F72-L122 HydrophobicContact CE1-CD1 4.41Å; F72-D124 HydrophobicContact CD1-CB 4.01Å; F72-D124 HydrophobicContact CE1-CB 3.49Å; F72-D124 VanDerWaalsContact CE1-CB 3.49Å; F72-D124 HydrophobicContact CZ-CB 4Å; F72-L125 HydrophobicContact CZ-CD2 3.92Å; F72-L125 HydrophobicContact CZ-CG 4.14Å; F72-L128 HydrophobicContact CE2-CD1 4.28Å
73	V	95.2	Very high	73.9	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-65.1	-46.9	176.8	176.9	0	0	0	0	110.4	S71 K75 M76 K77 D124 L128 I131	S71-V73 PolarHBondContact O-N 3.34Å; S71-V73 PolarHBondContact OG-N 3.36Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.38Å; V73-M76 WeakPolarHBondContact O-CB 3.35Å; V73-M76 PolarHBondContact O-N 2.77Å; V73-M76 VanDerWaalsContact O-N 3.15Å; V73-K77 WeakPolarHBondContact O-CG 3.25Å; V73-K77 PolarHBondContact O-N 3.46Å; V73-D124 HydrophobicContact CG2-CB 4.26Å; V73-D124 WeakPolarHBondContact CG2-O 3.36Å; V73-L128 HydrophobicContact CG2-CD1 4.46Å; V73-I131 HydrophobicContact CG1-CD1 3.99Å; V73-I131 HydrophobicContact CG1-CG1 4.37Å
74	E	93.5	Very high	77.1	Confident	101 Å²	101	60.5 Å²	60.5	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-37.1	175.8	-69.9	-56.1	124.3	0	0	111.9	S71 K77 K78	S71-E74 PolarHBondContact O-N 2.79Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 WeakPolarHBondContact OE1-CD 3.48Å; E74-K77 IonicContact OE1-NZ 3.62Å; E74-K77 PolarHBondContact OE1-NZ 2.99Å; E74-K78 WeakPolarHBondContact O-CB 3.31Å; E74-K78 PolarHBondContact O-N 3.31Å
75	K	92.8	Very high	80.4	Confident	17 Å²	17	55.9 Å²	55.9	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-42.1	172.9	-174.7	171.6	-179.4	171.9	0	112.1	S71 F72 V73 K78 T79 M113 Y120 E357 N359	S71-K75 PolarHBondContact O-N 3.37Å; S71-K75 VanDerWaalsContact O-N 3.09Å; F72-K75 WeakPolarHBondContact O-CB 3.38Å; F72-K75 PolarHBondContact O-N 3.26Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.38Å; K75-K78 PolarHBondContact O-N 3.43Å; K75-T79 WeakPolarHBondContact O-CB 3.19Å; K75-T79 WeakPolarHBondContact O-CG2 3.26Å; K75-T79 PolarHBondContact O-N 2.91Å; K75-T79 VanDerWaalsContact O-N 3.1Å; K75-T79 PolarHBondContact O-OG1 3.34Å; K75-M113 HydrophobicContact CD-CE 4.22Å; K75-Y120 PolarHBondContact NZ-OH 2.98Å; K75-E357 VanDerWaalsContact CE-O 3.28Å; K75-E357 WeakPolarHBondContact CE-O 3.47Å; K75-E357 PolarHBondContact NZ-O 2.9Å; K75-N359 PolarHBondContact NZ-ND2 2.99Å; K75-N359 PolarHBondContact NZ-OD1 3.26Å
76	M	95.3	Very high	83.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-44.8	175.1	-74	175.5	70.2	0	0	111.3	F72 V73 T79 G80 R81 I84 M113 L128 I131	F72-M76 HydrophobicContact CD2-SD 4.05Å; F72-M76 VanDerWaalsContact O-CG 3.28Å; F72-M76 WeakPolarHBondContact O-CG 3.45Å; F72-M76 PolarHBondContact O-N 3.35Å; V73-M76 WeakPolarHBondContact O-CB 3.35Å; V73-M76 PolarHBondContact O-N 2.77Å; V73-M76 VanDerWaalsContact O-N 3.15Å; M76-T79 PolarHBondContact O-N 3.08Å; M76-T79 PolarHBondContact O-OG1 3.3Å; M76-G80 PolarHBondContact O-N 3.15Å; M76-R81 HydrophobicContact CB-CB 4.18Å; M76-R81 HydrophobicContact CG-CB 4.16Å; M76-R81 PolarHBondContact O-N 3.38Å; M76-I84 HydrophobicContact CE-CB 4.17Å; M76-I84 HydrophobicContact CE-CG2 4.17Å; M76-I84 HydrophobicContact SD-CB 3.71Å; M76-I84 HydrophobicContact SD-CD1 4.29Å; M76-I84 HydrophobicContact SD-CG2 3.71Å; M76-M113 HydrophobicContact CG-SD 3.96Å; M76-L128 HydrophobicContact CE-CD1 3.99Å; M76-L128 HydrophobicContact SD-CD1 3.91Å; M76-I131 HydrophobicContact CB-CD1 3.47Å; M76-I131 VanDerWaalsContact CB-CD1 3.47Å; M76-I131 HydrophobicContact CE-CD1 4.12Å; M76-I131 HydrophobicContact CG-CD1 4.49Å; M76-I131 HydrophobicContact SD-CD1 4.3Å
77	K	94.3	Very high	86.5	Confident	76 Å²	76	48.1 Å²	48.1	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-51.1	174.6	-71.1	175.1	-174.5	167.3	0	111.9	V73 E74 T79 G80 E130 I131	V73-K77 WeakPolarHBondContact O-CG 3.25Å; V73-K77 PolarHBondContact O-N 3.46Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 WeakPolarHBondContact OE1-CD 3.48Å; E74-K77 IonicContact OE1-NZ 3.62Å; E74-K77 PolarHBondContact OE1-NZ 2.99Å; K77-T79 PolarHBondContact O-N 3.03Å; K77-G80 PolarHBondContact O-N 2.98Å; K77-E130 IonicContact NZ-OE2 2.84Å; K77-E130 PolarHBondContact NZ-OE2 2.98Å; K77-I131 HydrophobicContact CG-CD1 3.95Å; K77-I131 HydrophobicContact CG-CG1 3.75Å
78	K	93.3	Very high	89.3	Confident	148 Å²	148	43 Å²	43	64%	0.643	22%	0.215	S	C	*	.	H	α-helix	trans	-58.8	-35.3	-179.2	-173.5	-172.4	171.7	-141.3	0	112.4	E74 K75 E357	E74-K78 WeakPolarHBondContact O-CB 3.31Å; E74-K78 PolarHBondContact O-N 3.31Å; K75-K78 PolarHBondContact O-N 3.43Å; K78-E357 IonicContact NZ-OE1 2.75Å; K78-E357 PolarHBondContact NZ-OE1 2.98Å; K78-E357 IonicContact NZ-OE2 2.87Å; K78-E357 PolarHBondContact NZ-OE2 2.63Å
79	T	91.6	Very high	91.7	Very high	18 Å²	18	36.9 Å²	36.9	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-98.7	0.1	-174.4	58.9	0	0	0	0	114.1	K75 M76 K77 R81 R111 E357	K75-T79 WeakPolarHBondContact O-CB 3.19Å; K75-T79 WeakPolarHBondContact O-CG2 3.26Å; K75-T79 PolarHBondContact O-N 2.91Å; K75-T79 VanDerWaalsContact O-N 3.1Å; K75-T79 PolarHBondContact O-OG1 3.34Å; M76-T79 PolarHBondContact O-N 3.08Å; M76-T79 PolarHBondContact O-OG1 3.3Å; K77-T79 PolarHBondContact O-N 3.03Å; T79-R81 WeakPolarHBondContact OG1-CG 3.45Å; T79-R81 PolarHBondContact OG1-NH1 3.03Å; T79-R111 PolarHBondContact O-NH1 2.85Å; T79-E357 HydrophobicContact CG2-CB 3.5Å; T79-E357 HydrophobicContact CG2-CG 3.68Å
80	G	93.9	Very high	93.8	Very high	48 Å²	48	30.9 Å²	30.9	50%	0.495	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	42.7	-178.5	0	0	0	0	0	112.6	M76 K77 R111	M76-G80 PolarHBondContact O-N 3.15Å; K77-G80 PolarHBondContact O-N 2.98Å; G80-R111 WeakPolarHBondContact O-CB 3.41Å; G80-R111 VanDerWaalsContact O-CD 3.26Å; G80-R111 WeakPolarHBondContact O-CD 3.26Å
81	R	95.1	Very high	94.7	Very high	24 Å²	24	30.4 Å²	30.4	9%	0.091	16%	0.162	C	C	.	.			trans	-101.7	141.9	176.9	-68.8	-174.3	170.2	98.2	5.4	111.2	M76 T79 R111 G112 D355	M76-R81 HydrophobicContact CB-CB 4.18Å; M76-R81 HydrophobicContact CG-CB 4.16Å; M76-R81 PolarHBondContact O-N 3.38Å; T79-R81 WeakPolarHBondContact OG1-CG 3.45Å; T79-R81 PolarHBondContact OG1-NH1 3.03Å; R81-R111 WeakPolarHBondContact CA-O 3.37Å; R81-R111 WeakPolarHBondContact CB-O 3.27Å; R81-R111 HydrophobicContact CG-CB 4.24Å; R81-G112 PolarHBondContact NE-O 3.2Å; R81-D355 IonicContact CZ-OD1 2.76Å; R81-D355 IonicContact CZ-OD2 3.48Å; R81-D355 IonicContact NH1-OD1 2.82Å; R81-D355 IonicContact NH1-OD2 3.71Å; R81-D355 IonicContact NH2-OD1 3.9Å; R81-D355 PolarHBondContact NH2-OD1 3.24Å; R81-D355 IonicContact NH2-OD2 3.67Å; R81-D355 PolarHBondContact NH2-OD2 3.11Å
82	N	96.7	Very high	94.7	Very high	26 Å²	26	29.7 Å²	29.7	14%	0.139	16%	0.159	C	C	.	.			trans	-120.9	-9.5	177.2	61.2	-3.9	0	0	0	112.8	M110 R111 I131 A134 L135	N82-M110 WeakPolarHBondContact ND2-CE 3.47Å; N82-M110 WeakPolarHBondContact OD1-CB 3.06Å; N82-R111 PolarHBondContact N-O 3.4Å; N82-R111 PolarHBondContact OD1-N 2.86Å; N82-R111 PolarHBondContact OD1-O 3.35Å; N82-I131 HydrophobicContact CB-CG2 4.42Å; N82-A134 CarbonylContact O-C 3.51Å; N82-A134 VanDerWaalsContact O-CA 3.25Å; N82-A134 WeakPolarHBondContact O-CA 3.28Å; N82-L135 PolarHBondContact O-N 3.27Å
83	I	97.9	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.4	172.3	-54.4	-174.5	0	0	0	109.9	V85 A105 M110 R111 G112 M113 L135 W227	I83-V85 HydrophobicContact CG2-CG2 3.99Å; I83-A105 HydrophobicContact CD1-CB 4Å; I83-M110 HydrophobicContact CD1-CB 4.04Å; I83-M110 HydrophobicContact CD1-CE 3.74Å; I83-M110 HydrophobicContact CD1-SD 3.73Å; I83-M110 HydrophobicContact CG1-CB 4.44Å; I83-M110 HydrophobicContact CG1-CE 3.75Å; I83-M110 HydrophobicContact CG1-SD 4.39Å; I83-R111 PolarHBondContact N-O 2.98Å; I83-R111 VanDerWaalsContact N-O 3.09Å; I83-G112 CarbonylContact O-C 3.6Å; I83-G112 VanDerWaalsContact O-CA 3.26Å; I83-G112 WeakPolarHBondContact O-CA 3.24Å; I83-M113 PolarHBondContact O-N 2.82Å; I83-L135 WeakPolarHBondContact CA-O 3.14Å; I83-L135 HydrophobicContact CD1-CD2 4.36Å; I83-L135 HydrophobicContact CG1-CB 4.31Å; I83-W227 HydrophobicContact CD1-CH2 3.94Å; I83-W227 HydrophobicContact CD1-CZ3 3.89Å
84	I	98.1	Very high	94.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135	165.8	-175.4	164.6	0	0	0	109.9	F72 M76 F86 M113 A115 L135 V136 V137	F72-I84 HydrophobicContact CB-CD1 3.95Å; F72-I84 HydrophobicContact CD2-CD1 3.61Å; F72-I84 HydrophobicContact CD2-CG2 4.48Å; F72-I84 HydrophobicContact CE2-CD1 4.39Å; F72-I84 HydrophobicContact CE2-CG2 4.39Å; F72-I84 HydrophobicContact CG-CD1 3.97Å; M76-I84 HydrophobicContact CE-CB 4.17Å; M76-I84 HydrophobicContact CE-CG2 4.17Å; M76-I84 HydrophobicContact SD-CB 3.71Å; M76-I84 HydrophobicContact SD-CD1 4.29Å; M76-I84 HydrophobicContact SD-CG2 3.71Å; I84-F86 HydrophobicContact CD1-CE1 4.04Å; I84-F86 HydrophobicContact CD1-CE2 3.86Å; I84-F86 HydrophobicContact CD1-CZ 3.51Å; I84-F86 HydrophobicContact CG1-CD2 4.42Å; I84-F86 HydrophobicContact CG1-CE2 4.03Å; I84-F86 HydrophobicContact CG1-CZ 4.12Å; I84-F86 HydrophobicContact CG2-CE2 4.17Å; I84-M113 CarbonylContact C-O 3.38Å; I84-M113 WeakPolarHBondContact CA-O 3.32Å; I84-M113 HydrophobicContact CB-CG 4.26Å; I84-M113 HydrophobicContact CD1-CE 4.29Å; I84-M113 HydrophobicContact CD1-CG 4.34Å; I84-M113 HydrophobicContact CD1-SD 4.41Å; I84-M113 HydrophobicContact CG1-CG 4.05Å; I84-A115 HydrophobicContact CD1-CB 3.93Å; I84-A115 HydrophobicContact CG1-CB 4.15Å; I84-L135 PolarHBondContact N-O 2.85Å; I84-L135 VanDerWaalsContact N-O 3.1Å; I84-V136 HydrophobicContact CG2-CB 4.04Å; I84-V136 HydrophobicContact CG2-CG2 3.99Å; I84-V136 CarbonylContact O-C 3.43Å; I84-V136 WeakPolarHBondContact O-CA 3.14Å; I84-V137 PolarHBondContact O-N 3.1Å
85	V	98.5	Very high	94.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	106	-179.6	-166.3	0	0	0	0	109.7	I83 A98 L101 M113 S114 A115 V137	I83-V85 HydrophobicContact CG2-CG2 3.99Å; V85-A98 HydrophobicContact CB-CB 4.13Å; V85-A98 HydrophobicContact CG1-CB 3.55Å; V85-L101 HydrophobicContact CG1-CB 4.41Å; V85-L101 HydrophobicContact CG1-CD1 4.25Å; V85-L101 HydrophobicContact CG2-CB 4.12Å; V85-M113 PolarHBondContact N-O 3.36Å; V85-S114 CarbonylContact O-C 3.55Å; V85-S114 VanDerWaalsContact O-CA 3.28Å; V85-S114 WeakPolarHBondContact O-CA 3.44Å; V85-A115 PolarHBondContact O-N 3.31Å; V85-V137 CarbonylContact C-O 3.55Å; V85-V137 VanDerWaalsContact CA-O 3.29Å; V85-V137 WeakPolarHBondContact CA-O 3.39Å; V85-V137 HydrophobicContact CB-CB 4.41Å; V85-V137 HydrophobicContact CG1-CB 3.93Å; V85-V137 HydrophobicContact CG1-CG1 4.1Å; V85-V137 HydrophobicContact CG2-CB 4.16Å
86	F	98.6	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	144.7	175.3	-70.7	-74.7	0	0	0	111.1	F72 I84 A115 P117 Y120 L122 V136 V137 F138 C139	F72-F86 HydrophobicContact CD1-CZ 4.05Å; F72-F86 HydrophobicContact CD2-CZ 4.29Å; F72-F86 HydrophobicContact CE1-CZ 4.11Å; F72-F86 HydrophobicContact CE2-CE2 4.46Å; F72-F86 HydrophobicContact CE2-CZ 4.37Å; F72-F86 HydrophobicContact CG-CZ 4.13Å; F72-F86 HydrophobicContact CZ-CE2 4.42Å; F72-F86 HydrophobicContact CZ-CZ 4.29Å; I84-F86 HydrophobicContact CD1-CE1 4.04Å; I84-F86 HydrophobicContact CD1-CE2 3.86Å; I84-F86 HydrophobicContact CD1-CZ 3.51Å; I84-F86 HydrophobicContact CG1-CD2 4.42Å; I84-F86 HydrophobicContact CG1-CE2 4.03Å; I84-F86 HydrophobicContact CG1-CZ 4.12Å; I84-F86 HydrophobicContact CG2-CE2 4.17Å; F86-A115 WeakPolarHBondContact CA-O 3.2Å; F86-A115 HydrophobicContact CD1-CB 3.72Å; F86-A115 HydrophobicContact CE1-CB 3.64Å; F86-A115 HydrophobicContact CZ-CB 4.5Å; F86-P117 HydrophobicContact CD1-CB 4.02Å; F86-Y120 HydrophobicContact CE1-CD2 4.11Å; F86-L122 HydrophobicContact CD2-CD1 4.08Å; F86-L122 HydrophobicContact CE1-CD1 4.1Å; F86-L122 HydrophobicContact CE2-CD1 3.61Å; F86-L122 HydrophobicContact CZ-CD1 3.62Å; F86-V136 HydrophobicContact CD2-CG2 3.74Å; F86-V136 HydrophobicContact CE2-CG2 3.96Å; F86-V137 PolarHBondContact N-O 2.9Å; F86-F138 HydrophobicContact CB-CD1 3.8Å; F86-F138 HydrophobicContact CB-CE1 4.03Å; F86-F138 HydrophobicContact CD2-CD1 4.27Å; F86-F138 AromaticContact CD2-CE1 3.71Å; F86-F138 HydrophobicContact CD2-CE1 3.71Å; F86-F138 HydrophobicContact CD2-CZ 4.17Å; F86-F138 HydrophobicContact CG-CD1 4.43Å; F86-F138 HydrophobicContact CG-CE1 4.17Å; F86-C139 PolarHBondContact O-N 3.32Å
87	Y	98.4	Very high	94.9	Very high	30 Å²	30	29.6 Å²	29.6	12%	0.118	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.3	174.8	52.9	-93.5	0	0	0	112.5	E95 A98 A115 D116 P117 C139 N151	Y87-E95 HydrophobicContact CD1-CB 4.38Å; Y87-E95 HydrophobicContact CD1-CG 4.18Å; Y87-E95 HydrophobicContact CD2-CB 3.7Å; Y87-E95 HydrophobicContact CD2-CG 3.97Å; Y87-E95 HydrophobicContact CE1-CG 3.94Å; Y87-E95 HydrophobicContact CE2-CB 3.96Å; Y87-E95 HydrophobicContact CE2-CG 3.74Å; Y87-E95 HydrophobicContact CG-CB 3.94Å; Y87-E95 HydrophobicContact CG-CG 4.19Å; Y87-A98 HydrophobicContact CD1-CB 3.79Å; Y87-A98 HydrophobicContact CG-CB 4.27Å; Y87-A115 VanDerWaalsContact CD1-O 3.22Å; Y87-A115 WeakPolarHBondContact CD1-O 3.18Å; Y87-A115 VanDerWaalsContact CE1-O 3.27Å; Y87-A115 WeakPolarHBondContact CE1-O 3.22Å; Y87-A115 PolarHBondContact N-O 2.96Å; Y87-D116 HydrophobicContact CE2-CB 4Å; Y87-P117 WeakPolarHBondContact O-CD 3.28Å; Y87-C139 CarbonylContact C-O 3.56Å; Y87-C139 WeakPolarHBondContact CA-O 3.44Å; Y87-N151 PolarHBondContact O-ND2 3.47Å
88	G	98.2	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.7	161.4	0	0	0	0	0	108.9	A94 C139 A141 T149	G88-A94 WeakPolarHBondContact O-CB 3.3Å; G88-C139 PolarHBondContact N-O 3.09Å; G88-A141 WeakPolarHBondContact O-CB 3.44Å; G88-A141 PolarHBondContact O-N 3.17Å; G88-T149 WeakPolarHBondContact CA-OG1 3.33Å; G88-T149 PolarHBondContact O-OG1 2.84Å
89	S	96.3	Very high	94.9	Very high	20 Å²	20	19.4 Å²	19.4	14%	0.14	12%	0.117	C	C	.	.			trans	-138.4	128.4	-171.2	-145.4	0	0	0	0	113.9	G92 T93 A94 E95 T149 N151	S89-G92 WeakPolarHBondContact OG-CA 3.26Å; S89-G92 PolarHBondContact OG-N 2.71Å; S89-T93 PolarHBondContact OG-N 2.93Å; S89-A94 PolarHBondContact OG-N 3.41Å; S89-A94 VanDerWaalsContact OG-N 3.15Å; S89-E95 PolarHBondContact OG-N 3.22Å; S89-T149 PolarHBondContact N-OG1 3.24Å; S89-N151 PolarHBondContact N-OD1 2.98Å; S89-N151 PolarHBondContact O-OD1 3.48Å
90	Q	88.9	Confident	94.9	Very high	32 Å²	32	19 Å²	19	15%	0.15	11%	0.113	C	C	.	.	S	Bend	trans	-92	-36.7	173.4	-161.3	71.6	55	0	0	113	Y143 T149 D150	Q90-Y143 HydrophobicContact CB-CD2 3.91Å; Q90-Y143 HydrophobicContact CB-CE2 4Å; Q90-Y143 HydrophobicContact CG-CD2 4.01Å; Q90-Y143 HydrophobicContact CG-CE1 4.39Å; Q90-Y143 HydrophobicContact CG-CE2 3.78Å; Q90-Y143 HydrophobicContact CG-CG 4.39Å; Q90-T149 HydrophobicContact CB-CG2 4Å; Q90-D150 PolarHBondContact NE2-OD2 2.91Å; Q90-D150 PolarHBondContact OE1-OD2 2.89Å
91	T	88.6	Confident	94.9	Very high	64 Å²	64	16.8 Å²	16.8	39%	0.393	9%	0.09	S	C	.	.	S	Bend	trans	-125.4	16.3	-171.3	53.2	0	0	0	0	112.7	T93 Q455	T91-T93 PolarHBondContact O-N 3.06Å; T91-Q455 WeakPolarHBondContact O-CG 3.47Å; T91-Q455 PolarHBondContact O-NE2 3.44Å; T91-Q455 PolarHBondContact O-OE1 3.03Å
92	G	90.9	Very high	94.9	Very high	16 Å²	16	16.5 Å²	16.5	17%	0.165	9%	0.092	C	C	.	.	S	Bend	trans	84.5	-6.9	172.7	0	0	0	0	0	116.2	S89 E95 E96	S89-G92 WeakPolarHBondContact OG-CA 3.26Å; S89-G92 PolarHBondContact OG-N 2.71Å; G92-E95 PolarHBondContact O-N 3.13Å; G92-E96 PolarHBondContact O-N 3.02Å
93	T	93.1	Very high	94.5	Very high	29 Å²	29	19.3 Å²	19.3	18%	0.178	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-46.8	-179.4	-54.2	0	0	0	0	112.5	S89 T91 E95 E96 F97 L176 L215	S89-T93 PolarHBondContact OG-N 2.93Å; T91-T93 PolarHBondContact O-N 3.06Å; T93-E95 VanDerWaalsContact C-N 3.35Å; T93-E96 PolarHBondContact O-N 3.21Å; T93-F97 HydrophobicContact CG2-CD2 4.4Å; T93-F97 HydrophobicContact CG2-CE2 3.89Å; T93-F97 HydrophobicContact CG2-CZ 3.95Å; T93-F97 WeakPolarHBondContact O-CG 3.36Å; T93-F97 PolarHBondContact O-N 2.95Å; T93-F97 VanDerWaalsContact O-N 3.09Å; T93-L176 HydrophobicContact CG2-CD2 3.63Å; T93-L215 HydrophobicContact CG2-CD2 3.89Å
94	A	97.3	Very high	94.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.7	-33.6	178.8	0	0	0	0	0	112.2	G88 S89 F97 A98 C139 A141 L176	G88-A94 WeakPolarHBondContact O-CB 3.3Å; S89-A94 PolarHBondContact OG-N 3.41Å; S89-A94 VanDerWaalsContact OG-N 3.15Å; A94-F97 PolarHBondContact O-N 3.32Å; A94-A98 WeakPolarHBondContact O-CB 3.19Å; A94-A98 PolarHBondContact O-N 3.14Å; A94-C139 HydrophobicContact CB-CB 4.19Å; A94-C139 WeakPolarHBondContact CB-O 3.48Å; A94-A141 HydrophobicContact CB-CB 4.46Å; A94-L176 HydrophobicContact CB-CD1 3.73Å; A94-L176 HydrophobicContact CB-CD2 3.83Å; A94-L176 HydrophobicContact CB-CG 4.47Å
95	E	95.9	Very high	93.8	Very high	45 Å²	45	19.8 Å²	19.8	21%	0.21	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-45.6	171.7	-176.7	-169.3	167	0	0	110.8	Y87 S89 G92 T93 A98 N99 K360	Y87-E95 HydrophobicContact CD1-CB 4.38Å; Y87-E95 HydrophobicContact CD1-CG 4.18Å; Y87-E95 HydrophobicContact CD2-CB 3.7Å; Y87-E95 HydrophobicContact CD2-CG 3.97Å; Y87-E95 HydrophobicContact CE1-CG 3.94Å; Y87-E95 HydrophobicContact CE2-CB 3.96Å; Y87-E95 HydrophobicContact CE2-CG 3.74Å; Y87-E95 HydrophobicContact CG-CB 3.94Å; Y87-E95 HydrophobicContact CG-CG 4.19Å; S89-E95 PolarHBondContact OG-N 3.22Å; G92-E95 PolarHBondContact O-N 3.13Å; T93-E95 VanDerWaalsContact C-N 3.35Å; E95-A98 PolarHBondContact O-N 3.27Å; E95-N99 PolarHBondContact O-N 3.22Å; E95-N99 PolarHBondContact O-ND2 3.49Å; E95-N99 VanDerWaalsContact O-ND2 3.09Å; E95-K360 IonicContact OE1-NZ 2.77Å; E95-K360 PolarHBondContact OE1-NZ 3.25Å
96	E	91.1	Very high	93.3	Very high	43 Å²	43	24.2 Å²	24.2	20%	0.201	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-43.7	177.9	-177.3	57.6	-156.4	0	0	112	G92 T93 N99 R100 N387	G92-E96 PolarHBondContact O-N 3.02Å; T93-E96 PolarHBondContact O-N 3.21Å; E96-N99 PolarHBondContact O-N 3.07Å; E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.27Å; E96-R100 PolarHBondContact O-N 3.1Å; E96-N387 PolarHBondContact OE1-ND2 2.82Å
97	F	96.1	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-42.1	174.9	-68.9	-13.6	0	0	0	112.2	T93 A94 N99 R100 L101 F174 L176 L215 E216 F219	T93-F97 HydrophobicContact CG2-CD2 4.4Å; T93-F97 HydrophobicContact CG2-CE2 3.89Å; T93-F97 HydrophobicContact CG2-CZ 3.95Å; T93-F97 WeakPolarHBondContact O-CG 3.36Å; T93-F97 PolarHBondContact O-N 2.95Å; T93-F97 VanDerWaalsContact O-N 3.09Å; A94-F97 PolarHBondContact O-N 3.32Å; F97-N99 PolarHBondContact O-N 3.42Å; F97-R100 PolarHBondContact O-N 2.78Å; F97-L101 WeakPolarHBondContact O-CG 3.43Å; F97-L101 PolarHBondContact O-N 2.96Å; F97-F174 HydrophobicContact CD2-CD1 4.15Å; F97-F174 AromaticContact CD2-CE1 3.85Å; F97-F174 HydrophobicContact CD2-CE1 3.85Å; F97-F174 AromaticContact CE2-CE1 3.84Å; F97-F174 HydrophobicContact CE2-CE1 3.84Å; F97-L176 HydrophobicContact CD2-CD1 4.49Å; F97-L176 HydrophobicContact CD2-CD2 3.6Å; F97-L176 HydrophobicContact CD2-CG 4.16Å; F97-L176 HydrophobicContact CE2-CD2 3.65Å; F97-L176 HydrophobicContact CE2-CG 4.22Å; F97-L215 HydrophobicContact CE2-CD1 4.38Å; F97-L215 HydrophobicContact CE2-CG 4.01Å; F97-L215 HydrophobicContact CZ-CG 4.23Å; F97-E216 WeakPolarHBondContact CE1-OE2 3.34Å; F97-F219 HydrophobicContact CB-CD2 3.99Å; F97-F219 HydrophobicContact CB-CE1 4.32Å; F97-F219 HydrophobicContact CB-CE2 3.59Å; F97-F219 HydrophobicContact CB-CG 4.5Å; F97-F219 HydrophobicContact CB-CZ 3.77Å; F97-F219 HydrophobicContact CD1-CB 4.41Å; F97-F219 AromaticContact CD1-CD1 3.53Å; F97-F219 HydrophobicContact CD1-CD1 3.53Å; F97-F219 HydrophobicContact CD1-CD2 4.09Å; F97-F219 AromaticContact CD1-CE1 3.71Å; F97-F219 HydrophobicContact CD1-CE1 3.71Å; F97-F219 HydrophobicContact CD1-CE2 4.25Å; F97-F219 AromaticContact CD1-CG 3.72Å; F97-F219 HydrophobicContact CD1-CG 3.72Å; F97-F219 HydrophobicContact CD1-CZ 4.06Å; F97-F219 HydrophobicContact CD2-CB 4.18Å; F97-F219 HydrophobicContact CD2-CD1 4.5Å; F97-F219 AromaticContact CD2-CD2 3.7Å; F97-F219 HydrophobicContact CD2-CD2 3.7Å; F97-F219 HydrophobicContact CD2-CE2 4.21Å; F97-F219 AromaticContact CD2-CG 3.85Å; F97-F219 HydrophobicContact CD2-CG 3.85Å; F97-F219 HydrophobicContact CE1-CB 3.98Å; F97-F219 AromaticContact CE1-CD1 3.64Å; F97-F219 HydrophobicContact CE1-CD1 3.64Å; F97-F219 HydrophobicContact CE1-CE1 4.27Å; F97-F219 AromaticContact CE1-CG 3.77Å; F97-F219 HydrophobicContact CE1-CG 3.77Å; F97-F219 HydrophobicContact CE2-CB 3.74Å; F97-F219 HydrophobicContact CE2-CD2 4.16Å; F97-F219 AromaticContact CE2-CG 3.91Å; F97-F219 HydrophobicContact CE2-CG 3.91Å; F97-F219 HydrophobicContact CG-CD1 4Å; F97-F219 AromaticContact CG-CD2 3.67Å; F97-F219 HydrophobicContact CG-CD2 3.67Å; F97-F219 HydrophobicContact CG-CE1 4.11Å; F97-F219 AromaticContact CG-CE2 3.79Å; F97-F219 HydrophobicContact CG-CE2 3.79Å; F97-F219 AromaticContact CG-CG 3.77Å; F97-F219 HydrophobicContact CG-CG 3.77Å; F97-F219 AromaticContact CG-CZ 3.99Å; F97-F219 HydrophobicContact CG-CZ 3.99Å; F97-F219 HydrophobicContact CZ-CB 3.62Å; F97-F219 HydrophobicContact CZ-CD1 4.19Å; F97-F219 AromaticContact CZ-CG 3.86Å; F97-F219 HydrophobicContact CZ-CG 3.86Å
98	A	97	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-42.3	175.5	0	0	0	0	0	112.5	V85 Y87 A94 E95 R100 L101 S102 C139	V85-A98 HydrophobicContact CB-CB 4.13Å; V85-A98 HydrophobicContact CG1-CB 3.55Å; Y87-A98 HydrophobicContact CD1-CB 3.79Å; Y87-A98 HydrophobicContact CG-CB 4.27Å; A94-A98 WeakPolarHBondContact O-CB 3.19Å; A94-A98 PolarHBondContact O-N 3.14Å; E95-A98 PolarHBondContact O-N 3.27Å; A98-R100 VanDerWaalsContact C-N 3.33Å; A98-R100 PolarHBondContact O-N 2.93Å; A98-L101 PolarHBondContact O-N 3.33Å; A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3Å; A98-C139 HydrophobicContact CB-CB 4.37Å
99	N	91.8	Very high	91.5	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-41.9	175.3	-68.9	-34.6	0	0	0	111.5	E95 E96 F97 S102 K103 S114	E95-N99 PolarHBondContact O-N 3.22Å; E95-N99 PolarHBondContact O-ND2 3.49Å; E95-N99 VanDerWaalsContact O-ND2 3.09Å; E96-N99 PolarHBondContact O-N 3.07Å; F97-N99 PolarHBondContact O-N 3.42Å; N99-S102 PolarHBondContact O-N 3.33Å; N99-K103 WeakPolarHBondContact O-CG 3.31Å; N99-K103 PolarHBondContact O-N 3.21Å; N99-S114 VanDerWaalsContact OD1-CB 3.26Å; N99-S114 WeakPolarHBondContact OD1-CB 3.46Å; N99-S114 PolarHBondContact OD1-OG 3.17Å
100	R	90.4	Very high	91.3	Very high	10 Å²	10	30.3 Å²	30.3	4%	0.038	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-47.4	177.8	-73	164.4	63.9	179.8	4.4	111.9	E96 F97 A98 S102 K103 D104 E216 F219	E96-R100 VanDerWaalsContact O-CG 3.3Å; E96-R100 WeakPolarHBondContact O-CG 3.27Å; E96-R100 PolarHBondContact O-N 3.1Å; F97-R100 PolarHBondContact O-N 2.78Å; A98-R100 VanDerWaalsContact C-N 3.33Å; A98-R100 PolarHBondContact O-N 2.93Å; R100-S102 VanDerWaalsContact C-N 3.34Å; R100-S102 PolarHBondContact O-N 2.92Å; R100-K103 PolarHBondContact O-N 3.15Å; R100-D104 PolarHBondContact O-N 3.06Å; R100-E216 IonicContact CZ-OE1 3.79Å; R100-E216 VanDerWaalsContact NH1-CD 3.3Å; R100-E216 IonicContact NH1-OE1 2.81Å; R100-E216 PolarHBondContact NH1-OE1 3.48Å; R100-E216 IonicContact NH1-OE2 3.08Å; R100-E216 PolarHBondContact NH1-OE2 3.22Å; R100-E216 VanDerWaalsContact NH1-OE2 3.12Å; R100-E216 IonicContact NH2-OE1 3.87Å; R100-E216 PolarHBondContact NH2-OE1 2.9Å; R100-F219 HydrophobicContact CB-CE1 4.42Å; R100-F219 HydrophobicContact CB-CZ 4.47Å; R100-F219 VanDerWaalsContact CZ-CE1 3.43Å
101	L	94.7	Very high	91.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-41.5	175.5	-65.8	176.4	0	0	0	111.7	V85 F97 A98 K103 D104 A105 V137 F219 W222 R223 F226 W227	V85-L101 HydrophobicContact CG1-CB 4.41Å; V85-L101 HydrophobicContact CG1-CD1 4.25Å; V85-L101 HydrophobicContact CG2-CB 4.12Å; F97-L101 WeakPolarHBondContact O-CG 3.43Å; F97-L101 PolarHBondContact O-N 2.96Å; A98-L101 PolarHBondContact O-N 3.33Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.47Å; L101-D104 PolarHBondContact O-N 3.37Å; L101-A105 PolarHBondContact O-N 3.11Å; L101-V137 HydrophobicContact CD1-CG1 3.95Å; L101-F219 HydrophobicContact CD1-CE2 4.14Å; L101-F219 HydrophobicContact CD1-CZ 4.42Å; L101-F219 HydrophobicContact CD2-CE2 4.28Å; L101-F219 HydrophobicContact CD2-CZ 4.01Å; L101-F219 HydrophobicContact CG-CE2 4.13Å; L101-F219 HydrophobicContact CG-CZ 3.91Å; L101-W222 HydrophobicContact CD1-CH2 4.33Å; L101-W222 HydrophobicContact CD1-CZ3 3.81Å; L101-W222 HydrophobicContact CD2-CZ3 4.08Å; L101-R223 HydrophobicContact CD2-CB 4.47Å; L101-R223 HydrophobicContact CD2-CG 3.79Å; L101-F226 HydrophobicContact CD2-CD1 4.15Å; L101-F226 HydrophobicContact CD2-CE1 4.24Å; L101-W227 HydrophobicContact CB-CZ2 4.49Å; L101-W227 HydrophobicContact CD2-CZ2 4.34Å; L101-W227 WeakPolarHBondContact O-CZ2 3.4Å
102	S	93.8	Very high	91.8	Very high	18 Å²	18	33.6 Å²	33.6	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-37.5	175.8	178.3	0	0	0	0	112.7	A98 N99 R100 A105 G112 M113 S114	A98-S102 WeakPolarHBondContact O-CB 3.37Å; A98-S102 PolarHBondContact O-N 3Å; N99-S102 PolarHBondContact O-N 3.33Å; R100-S102 VanDerWaalsContact C-N 3.34Å; R100-S102 PolarHBondContact O-N 2.92Å; S102-A105 WeakPolarHBondContact O-CB 3.41Å; S102-G112 PolarHBondContact OG-O 2.86Å; S102-M113 WeakPolarHBondContact OG-CA 3.39Å; S102-M113 PolarHBondContact OG-N 3.33Å; S102-M113 VanDerWaalsContact OG-N 3.15Å; S102-S114 PolarHBondContact OG-N 3.3Å
103	K	88.9	Confident	91.9	Very high	85 Å²	85	33.5 Å²	33.5	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-71.1	-43.2	176.8	-75.2	-179.8	-179.1	-173.6	0	111.7	N99 R100 L101 A105 H106 Q247	N99-K103 WeakPolarHBondContact O-CG 3.31Å; N99-K103 PolarHBondContact O-N 3.21Å; R100-K103 PolarHBondContact O-N 3.15Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.47Å; K103-A105 PolarHBondContact O-N 2.71Å; K103-H106 PolarHBondContact O-N 2.87Å; K103-Q247 VanDerWaalsContact CE-CD 3.47Å
104	D	90.2	Very high	92	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-29.4	-179.1	-77.7	-35.6	0	0	0	112.1	R100 L101 H106 R107 Y108 R223 W227	R100-D104 PolarHBondContact O-N 3.06Å; L101-D104 PolarHBondContact O-N 3.37Å; D104-H106 PolarHBondContact O-N 2.8Å; D104-R107 VanDerWaalsContact O-CB 3.3Å; D104-R107 WeakPolarHBondContact O-CB 3.43Å; D104-R107 PolarHBondContact O-N 3.02Å; D104-R107 IonicContact OD1-NH1 2.65Å; D104-R107 PolarHBondContact OD1-NH1 3.14Å; D104-R107 VanDerWaalsContact OD1-NH1 3.11Å; D104-Y108 VanDerWaalsContact O-CD2 3.25Å; D104-Y108 WeakPolarHBondContact O-CD2 3.34Å; D104-R223 IonicContact OD1-NH1 3.86Å; D104-R223 WeakPolarHBondContact OD2-CD 3.21Å; D104-R223 IonicContact OD2-CZ 2.72Å; D104-R223 IonicContact OD2-NE 2.7Å; D104-R223 IonicContact OD2-NH1 3.38Å; D104-R223 PolarHBondContact OD2-NH1 3.25Å; D104-W227 HydrophobicContact CB-CD2 4.48Å; D104-W227 VanDerWaalsContact CB-CE2 3.42Å; D104-W227 HydrophobicContact CB-CH2 4.34Å; D104-W227 HydrophobicContact CB-CZ2 3.37Å; D104-W227 VanDerWaalsContact CB-NE1 3.31Å; D104-W227 PolarHBondContact OD2-NE1 2.83Å
105	A	91.9	Very high	92	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-48.4	-39	176.3	0	0	0	0	0	113.5	I83 L101 S102 K103 R107 Y108 M110 W227	I83-A105 HydrophobicContact CD1-CB 4Å; L101-A105 PolarHBondContact O-N 3.11Å; S102-A105 WeakPolarHBondContact O-CB 3.41Å; K103-A105 PolarHBondContact O-N 2.71Å; A105-R107 VanDerWaalsContact C-N 3.27Å; A105-R107 PolarHBondContact O-N 2.66Å; A105-Y108 PolarHBondContact O-N 2.93Å; A105-Y108 VanDerWaalsContact O-N 3.14Å; A105-M110 CarbonylContact C-O 3.53Å; A105-M110 VanDerWaalsContact C-O 3.27Å; A105-M110 HydrophobicContact CB-CB 4.2Å; A105-M110 CarbonylContact O-C 3.57Å; A105-M110 WeakPolarHBondContact O-CA 3.41Å; A105-M110 WeakPolarHBondContact O-CB 3.15Å; A105-M110 PolarHBondContact O-N 3.49Å; A105-W227 HydrophobicContact CB-CH2 3.95Å
106	H	87.8	Confident	92	Very high	94 Å²	94	32.5 Å²	32.5	44%	0.435	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-61.2	-35.5	179.6	-172.9	66.2	0	0	0	113	K103 D104 Y108 G109 M110 I245	K103-H106 PolarHBondContact O-N 2.87Å; D104-H106 PolarHBondContact O-N 2.8Å; H106-Y108 PolarHBondContact O-N 2.8Å; H106-G109 PolarHBondContact O-N 2.8Å; H106-M110 VanDerWaalsContact CA-O 3.3Å; H106-M110 WeakPolarHBondContact CA-O 3.41Å; H106-M110 PolarHBondContact N-O 2.95Å; H106-I245 WeakPolarHBondContact CD2-CD1 3.36Å
107	R	83.6	Confident	92.2	Very high	80 Å²	80	30.7 Å²	30.7	30%	0.302	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.6	-179.5	-56.7	169.7	64.6	-173	4.5	112.8	D104 A105 A238 T239 E242	D104-R107 VanDerWaalsContact O-CB 3.3Å; D104-R107 WeakPolarHBondContact O-CB 3.43Å; D104-R107 PolarHBondContact O-N 3.02Å; D104-R107 IonicContact OD1-NH1 2.65Å; D104-R107 PolarHBondContact OD1-NH1 3.14Å; D104-R107 VanDerWaalsContact OD1-NH1 3.11Å; A105-R107 VanDerWaalsContact C-N 3.27Å; A105-R107 PolarHBondContact O-N 2.66Å; R107-A238 WeakPolarHBondContact O-CA 3.33Å; R107-T239 PolarHBondContact O-N 2.87Å; R107-T239 PolarHBondContact O-OG1 2.9Å; R107-T239 VanDerWaalsContact O-OG1 3.13Å; R107-E242 IonicContact NH2-OE1 3.59Å
108	Y	86.8	Confident	92.1	Very high	38 Å²	38	35 Å²	35	15%	0.149	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-111.5	21.2	-179.4	-60.4	-77.2	0	0	0	112.1	D104 A105 H106 M110 W227 C231 A238	D104-Y108 VanDerWaalsContact O-CD2 3.25Å; D104-Y108 WeakPolarHBondContact O-CD2 3.34Å; A105-Y108 PolarHBondContact O-N 2.93Å; A105-Y108 VanDerWaalsContact O-N 3.14Å; H106-Y108 PolarHBondContact O-N 2.8Å; Y108-M110 PolarHBondContact O-N 3.31Å; Y108-W227 HydrophobicContact CD2-CB 4.3Å; Y108-W227 AromaticContact CD2-CD2 3.53Å; Y108-W227 HydrophobicContact CD2-CD2 3.53Å; Y108-W227 AromaticContact CD2-CE3 3.39Å; Y108-W227 HydrophobicContact CD2-CE3 3.39Å; Y108-W227 AromaticContact CD2-CG 3.94Å; Y108-W227 HydrophobicContact CD2-CG 3.94Å; Y108-W227 AromaticContact CD2-CZ3 3.95Å; Y108-W227 HydrophobicContact CD2-CZ3 3.95Å; Y108-W227 HydrophobicContact CE1-CB 4.03Å; Y108-W227 HydrophobicContact CE2-CB 3.64Å; Y108-W227 AromaticContact CE2-CD1 3.76Å; Y108-W227 AromaticContact CE2-CD2 3.39Å; Y108-W227 HydrophobicContact CE2-CD2 3.39Å; Y108-W227 AromaticContact CE2-CE2 3.97Å; Y108-W227 AromaticContact CE2-CE3 3.78Å; Y108-W227 HydrophobicContact CE2-CE3 3.78Å; Y108-W227 AromaticContact CE2-CG 3.3Å; Y108-W227 HydrophobicContact CE2-CG 3.3Å; Y108-W227 HydrophobicContact CG-CD2 4.44Å; Y108-W227 AromaticContact CG-CE3 3.98Å; Y108-W227 HydrophobicContact CG-CE3 3.98Å; Y108-W227 VanDerWaalsContact CZ-CB 3.46Å; Y108-W227 AromaticContact CZ-CG 3.68Å; Y108-W227 WeakPolarHBondContact OH-CB 3.23Å; Y108-C231 WeakPolarHBondContact CD1-SG 3.22Å; Y108-A238 HydrophobicContact CD1-CB 3.92Å; Y108-A238 HydrophobicContact CE1-CB 3.91Å
109	G	87.1	Confident	91.9	Very high	56 Å²	56	39.6 Å²	39.6	58%	0.577	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	14.3	179.6	0	0	0	0	0	114	H106	H106-G109 PolarHBondContact O-N 2.8Å
110	M	91.9	Very high	92	Very high	4 Å²	4	40 Å²	40	2%	0.02	20%	0.199	C	C	.	.			trans	-108.1	171.7	179.3	-60.9	-174.2	82.5	0	0	110.5	N82 I83 A105 H106 Y108 V230 V236	N82-M110 WeakPolarHBondContact ND2-CE 3.47Å; N82-M110 WeakPolarHBondContact OD1-CB 3.06Å; I83-M110 HydrophobicContact CD1-CB 4.04Å; I83-M110 HydrophobicContact CD1-CE 3.74Å; I83-M110 HydrophobicContact CD1-SD 3.73Å; I83-M110 HydrophobicContact CG1-CB 4.44Å; I83-M110 HydrophobicContact CG1-CE 3.75Å; I83-M110 HydrophobicContact CG1-SD 4.39Å; A105-M110 CarbonylContact C-O 3.53Å; A105-M110 VanDerWaalsContact C-O 3.27Å; A105-M110 HydrophobicContact CB-CB 4.2Å; A105-M110 CarbonylContact O-C 3.57Å; A105-M110 WeakPolarHBondContact O-CA 3.41Å; A105-M110 WeakPolarHBondContact O-CB 3.15Å; A105-M110 PolarHBondContact O-N 3.49Å; H106-M110 VanDerWaalsContact CA-O 3.3Å; H106-M110 WeakPolarHBondContact CA-O 3.41Å; H106-M110 PolarHBondContact N-O 2.95Å; Y108-M110 PolarHBondContact O-N 3.31Å; M110-V230 HydrophobicContact SD-CG1 3.81Å; M110-V236 HydrophobicContact CG-CG1 4.49Å; M110-V236 HydrophobicContact CG-CG2 4.39Å; M110-V236 HydrophobicContact SD-CG2 4.03Å
111	R	93.1	Very high	92.1	Very high	152 Å²	152	42.9 Å²	42.9	57%	0.574	22%	0.215	S	C	*	.			trans	-131.8	113.7	178.7	-82.5	-173	155.8	-156.7	-4.5	110.4	T79 G80 R81 N82 I83	T79-R111 PolarHBondContact O-NH1 2.85Å; G80-R111 WeakPolarHBondContact O-CB 3.41Å; G80-R111 VanDerWaalsContact O-CD 3.26Å; G80-R111 WeakPolarHBondContact O-CD 3.26Å; R81-R111 WeakPolarHBondContact CA-O 3.37Å; R81-R111 WeakPolarHBondContact CB-O 3.27Å; R81-R111 HydrophobicContact CG-CB 4.24Å; N82-R111 PolarHBondContact N-O 3.4Å; N82-R111 PolarHBondContact OD1-N 2.86Å; N82-R111 PolarHBondContact OD1-O 3.35Å; I83-R111 PolarHBondContact N-O 2.98Å; I83-R111 VanDerWaalsContact N-O 3.09Å
112	G	93.7	Very high	92.1	Very high	13 Å²	13	43 Å²	43	13%	0.134	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	158.8	-178.9	0	0	0	0	0	114.5	R81 I83 S102	R81-G112 PolarHBondContact NE-O 3.2Å; I83-G112 CarbonylContact O-C 3.6Å; I83-G112 VanDerWaalsContact O-CA 3.26Å; I83-G112 WeakPolarHBondContact O-CA 3.24Å; S102-G112 PolarHBondContact OG-O 2.86Å
113	M	94.8	Very high	92.1	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.064	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.7	154.4	54.3	-175.5	-73.8	0	0	111	K75 M76 I83 I84 V85 S102 A115	K75-M113 HydrophobicContact CD-CE 4.22Å; M76-M113 HydrophobicContact CG-SD 3.96Å; I83-M113 PolarHBondContact O-N 2.82Å; I84-M113 CarbonylContact C-O 3.38Å; I84-M113 WeakPolarHBondContact CA-O 3.32Å; I84-M113 HydrophobicContact CB-CG 4.26Å; I84-M113 HydrophobicContact CD1-CE 4.29Å; I84-M113 HydrophobicContact CD1-CG 4.34Å; I84-M113 HydrophobicContact CD1-SD 4.41Å; I84-M113 HydrophobicContact CG1-CG 4.05Å; V85-M113 PolarHBondContact N-O 3.36Å; S102-M113 WeakPolarHBondContact OG-CA 3.39Å; S102-M113 PolarHBondContact OG-N 3.33Å; S102-M113 VanDerWaalsContact OG-N 3.15Å; M113-A115 HydrophobicContact CE-CB 4.42Å
114	S	95.2	Very high	92.5	Very high	31 Å²	31	41.6 Å²	41.6	22%	0.217	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.1	164.7	56.3	0	0	0	0	110.8	V85 N99 S102	V85-S114 CarbonylContact O-C 3.55Å; V85-S114 VanDerWaalsContact O-CA 3.28Å; V85-S114 WeakPolarHBondContact O-CA 3.44Å; N99-S114 VanDerWaalsContact OD1-CB 3.26Å; N99-S114 WeakPolarHBondContact OD1-CB 3.46Å; N99-S114 PolarHBondContact OD1-OG 3.17Å; S102-S114 PolarHBondContact OG-N 3.3Å
115	A	95.7	Very high	92.8	Very high	3 Å²	3	41 Å²	41	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.8	-176.1	0	0	0	0	0	112.5	I84 V85 F86 Y87 M113 Y120	I84-A115 HydrophobicContact CD1-CB 3.93Å; I84-A115 HydrophobicContact CG1-CB 4.15Å; V85-A115 PolarHBondContact O-N 3.31Å; F86-A115 WeakPolarHBondContact CA-O 3.2Å; F86-A115 HydrophobicContact CD1-CB 3.72Å; F86-A115 HydrophobicContact CE1-CB 3.64Å; F86-A115 HydrophobicContact CZ-CB 4.5Å; Y87-A115 VanDerWaalsContact CD1-O 3.22Å; Y87-A115 WeakPolarHBondContact CD1-O 3.18Å; Y87-A115 VanDerWaalsContact CE1-O 3.27Å; Y87-A115 WeakPolarHBondContact CE1-O 3.22Å; Y87-A115 PolarHBondContact N-O 2.96Å; M113-A115 HydrophobicContact CE-CB 4.42Å; A115-Y120 HydrophobicContact CB-CD2 4.22Å; A115-Y120 HydrophobicContact CB-CE2 3.78Å
116	D	95.8	Very high	92.9	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.107	23%	0.232	C	C	.	.			trans	-79.7	121	167.3	-169.3	-23.7	0	0	0	108.5	Y87 E118 E119 Y120 N151	Y87-D116 HydrophobicContact CE2-CB 4Å; D116-E118 PolarHBondContact O-N 3.27Å; D116-E118 WeakPolarHBondContact OD1-CB 3.37Å; D116-E118 PolarHBondContact OD1-N 3.19Å; D116-E119 HydrophobicContact CB-CG 4.1Å; D116-E119 PolarHBondContact O-N 2.71Å; D116-Y120 WeakPolarHBondContact O-CD2 3.31Å; D116-N151 PolarHBondContact OD1-ND2 2.83Å
117	P	96.1	Very high	93.4	Very high	5 Å²	5	41 Å²	41	3%	0.032	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.9	-23.4	177.5	24.8	-32.8	0	0	0	113.5	F86 Y87 E119 Y120 L122 A152 F155	F86-P117 HydrophobicContact CD1-CB 4.02Å; Y87-P117 WeakPolarHBondContact O-CD 3.28Å; P117-E119 PolarHBondContact O-N 3.49Å; P117-Y120 PolarHBondContact O-N 3.46Å; P117-L122 HydrophobicContact CB-CD2 4.03Å; P117-A152 HydrophobicContact CG-CB 4.47Å; P117-F155 HydrophobicContact CB-CB 4.42Å
118	E	94.6	Very high	94	Very high	89 Å²	89	37.2 Å²	37.2	42%	0.416	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-64.8	-24.7	176.2	-165.2	-178.1	-143.1	0	0	112.3	D116 N151 K282	D116-E118 PolarHBondContact O-N 3.27Å; D116-E118 WeakPolarHBondContact OD1-CB 3.37Å; D116-E118 PolarHBondContact OD1-N 3.19Å; E118-N151 HydrophobicContact CB-CB 4.26Å; E118-N151 WeakPolarHBondContact CB-O 3.39Å; E118-N151 PolarHBondContact N-O 3.39Å; E118-K282 IonicContact OE2-NZ 3.14Å
119	E	92.3	Very high	94.5	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-84	-10.9	-177.7	-67	-173	178.3	0	0	113.7	D116 P117 N359	D116-E119 HydrophobicContact CB-CG 4.1Å; D116-E119 PolarHBondContact O-N 2.71Å; P117-E119 PolarHBondContact O-N 3.49Å; E119-N359 PolarHBondContact OE2-ND2 3.2Å
120	Y	93.7	Very high	94.9	Very high	19 Å²	19	41 Å²	41	8%	0.075	22%	0.218	C	C	.	.	S	Bend	trans	-129	164.7	-173.1	-61.8	-80.3	0	0	0	112.5	F72 K75 F86 A115 D116 P117 N359	F72-Y120 HydrophobicContact CB-CD1 3.59Å; F72-Y120 HydrophobicContact CB-CE1 3.75Å; F72-Y120 HydrophobicContact CB-CG 4.05Å; F72-Y120 HydrophobicContact CD1-CD1 4.44Å; F72-Y120 HydrophobicContact CD1-CG 4.38Å; K75-Y120 PolarHBondContact NZ-OH 2.98Å; F86-Y120 HydrophobicContact CE1-CD2 4.11Å; A115-Y120 HydrophobicContact CB-CD2 4.22Å; A115-Y120 HydrophobicContact CB-CE2 3.78Å; D116-Y120 WeakPolarHBondContact O-CD2 3.31Å; P117-Y120 PolarHBondContact O-N 3.46Å; Y120-N359 PolarHBondContact OH-ND2 3.15Å
121	D	93.4	Very high	95.2	Very high	70 Å²	70	41.8 Å²	41.8	37%	0.374	22%	0.221	S	C	.	.			trans	-96.7	116.1	168.2	-165.4	-26.5	0	0	0	109.3	R68 A123 D124	R68-D121 IonicContact NH1-OD2 3.59Å; D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact OD1-CB 3.25Å; D121-A123 WeakPolarHBondContact OD1-CB 3.5Å; D121-A123 PolarHBondContact OD1-N 3.12Å; D121-D124 WeakPolarHBondContact O-CB 3.31Å; D121-D124 PolarHBondContact O-N 3.4Å
122	L	94.7	Very high	95.2	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-77.4	-5	-176	-79.1	-67.1	0	0	0	112.6	F72 F86 P117 D124 L125 F138 F155 W158	F72-L122 HydrophobicContact CE1-CD1 4.41Å; F86-L122 HydrophobicContact CD2-CD1 4.08Å; F86-L122 HydrophobicContact CE1-CD1 4.1Å; F86-L122 HydrophobicContact CE2-CD1 3.61Å; F86-L122 HydrophobicContact CZ-CD1 3.62Å; P117-L122 HydrophobicContact CB-CD2 4.03Å; L122-D124 PolarHBondContact O-N 3.28Å; L122-L125 HydrophobicContact CB-CD1 4.36Å; L122-L125 HydrophobicContact CD1-CD1 4.17Å; L122-L125 HydrophobicContact CD1-CG 4.22Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 WeakPolarHBondContact O-CD1 3.36Å; L122-L125 VanDerWaalsContact O-CG 3.22Å; L122-L125 WeakPolarHBondContact O-CG 3.4Å; L122-L125 PolarHBondContact O-N 3.21Å; L122-L125 VanDerWaalsContact O-N 3.12Å; L122-F138 HydrophobicContact CD1-CE1 4.48Å; L122-F155 HydrophobicContact CB-CD2 3.71Å; L122-F155 HydrophobicContact CB-CE2 4.1Å; L122-F155 HydrophobicContact CD1-CD2 4.44Å; L122-F155 HydrophobicContact CD1-CE2 4.47Å; L122-F155 HydrophobicContact CG-CB 4.45Å; L122-F155 HydrophobicContact CG-CD2 3.57Å; L122-F155 HydrophobicContact CG-CE2 4.03Å; L122-F155 HydrophobicContact CG-CG 4.17Å; L122-W158 HydrophobicContact CB-CE3 4.23Å; L122-W158 HydrophobicContact CB-CZ3 4.37Å
123	A	93.9	Very high	95.2	Very high	29 Å²	29	44.6 Å²	44.6	24%	0.24	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.4	-27.4	166.5	0	0	0	0	0	112.6	D121 L125 S126	D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact OD1-CB 3.25Å; D121-A123 WeakPolarHBondContact OD1-CB 3.5Å; D121-A123 PolarHBondContact OD1-N 3.12Å; A123-L125 PolarHBondContact O-N 2.97Å; A123-L125 VanDerWaalsContact O-N 3.11Å; A123-S126 PolarHBondContact O-N 2.59Å; A123-S126 PolarHBondContact O-OG 3Å
124	D	95.3	Very high	95.4	Very high	43 Å²	43	44.4 Å²	44.4	23%	0.23	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.2	-10.4	176.8	-70.9	-14.4	0	0	0	113.4	S71 F72 V73 D121 L122 S126 S127	S71-D124 WeakPolarHBondContact CA-OD2 3.33Å; S71-D124 WeakPolarHBondContact CB-OD2 3.41Å; S71-D124 VanDerWaalsContact OG-CG 3.22Å; S71-D124 PolarHBondContact OG-OD2 3.37Å; F72-D124 HydrophobicContact CD1-CB 4.01Å; F72-D124 HydrophobicContact CE1-CB 3.49Å; F72-D124 VanDerWaalsContact CE1-CB 3.49Å; F72-D124 HydrophobicContact CZ-CB 4Å; V73-D124 HydrophobicContact CG2-CB 4.26Å; V73-D124 WeakPolarHBondContact CG2-O 3.36Å; D121-D124 WeakPolarHBondContact O-CB 3.31Å; D121-D124 PolarHBondContact O-N 3.4Å; L122-D124 PolarHBondContact O-N 3.28Å; D124-S126 PolarHBondContact O-N 3.37Å; D124-S126 VanDerWaalsContact O-N 3.13Å; D124-S127 PolarHBondContact O-N 3.2Å
125	L	96.5	Very high	95.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-53.9	-31.6	172.1	-75.4	170.9	0	0	0	112.3	F72 L122 A123 S127 L128 V136 F138 W158 L166 V169 L195	F72-L125 HydrophobicContact CZ-CD2 3.92Å; F72-L125 HydrophobicContact CZ-CG 4.14Å; L122-L125 HydrophobicContact CB-CD1 4.36Å; L122-L125 HydrophobicContact CD1-CD1 4.17Å; L122-L125 HydrophobicContact CD1-CG 4.22Å; L122-L125 WeakPolarHBondContact O-CB 3.18Å; L122-L125 WeakPolarHBondContact O-CD1 3.36Å; L122-L125 VanDerWaalsContact O-CG 3.22Å; L122-L125 WeakPolarHBondContact O-CG 3.4Å; L122-L125 PolarHBondContact O-N 3.21Å; L122-L125 VanDerWaalsContact O-N 3.12Å; A123-L125 PolarHBondContact O-N 2.97Å; A123-L125 VanDerWaalsContact O-N 3.11Å; L125-S127 PolarHBondContact O-N 3.28Å; L125-L128 HydrophobicContact CD2-CD2 4.38Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 2.83Å; L125-V136 HydrophobicContact CD2-CB 4.34Å; L125-V136 HydrophobicContact CD2-CG1 4.07Å; L125-V136 HydrophobicContact CD2-CG2 4.14Å; L125-F138 HydrophobicContact CD1-CZ 4.23Å; L125-F138 HydrophobicContact CD2-CZ 4.4Å; L125-W158 HydrophobicContact CD1-CH2 4.12Å; L125-W158 HydrophobicContact CD1-CZ3 4.15Å; L125-L166 HydrophobicContact CB-CD2 3.81Å; L125-V169 WeakPolarHBondContact O-CG2 3.41Å; L125-L195 HydrophobicContact CD1-CD2 4.36Å
126	S	96.1	Very high	95.6	Very high	59 Å²	59	42.8 Å²	42.8	41%	0.413	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.9	-25.6	176.1	57.6	0	0	0	0	113.8	A123 D124 P129	A123-S126 PolarHBondContact O-N 2.59Å; A123-S126 PolarHBondContact O-OG 3Å; D124-S126 PolarHBondContact O-N 3.37Å; D124-S126 VanDerWaalsContact O-N 3.13Å; S126-P129 WeakPolarHBondContact O-CD 3.47Å
127	S	96.6	Very high	95.8	Very high	35 Å²	35	41.9 Å²	41.9	25%	0.245	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.3	-6.3	175.5	-79.6	0	0	0	0	113.6	D124 L125 P129 E130	D124-S127 PolarHBondContact O-N 3.2Å; L125-S127 PolarHBondContact O-N 3.28Å; S127-P129 VanDerWaalsContact C-N 3.33Å; S127-E130 WeakPolarHBondContact CA-OE1 3.12Å; S127-E130 WeakPolarHBondContact CB-OE1 3.33Å; S127-E130 WeakPolarHBondContact O-CB 3.44Å; S127-E130 VanDerWaalsContact O-CG 3.22Å; S127-E130 WeakPolarHBondContact O-CG 3.39Å; S127-E130 PolarHBondContact O-N 3.3Å; S127-E130 PolarHBondContact OG-OE1 2.8Å
128	L	96.8	Very high	95.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-58.1	-35.1	178.6	-168.8	62.7	0	0	0	114.1	F72 V73 M76 L125 E130 I131 A134 V136 V169	F72-L128 HydrophobicContact CE2-CD1 4.28Å; V73-L128 HydrophobicContact CG2-CD1 4.46Å; M76-L128 HydrophobicContact CE-CD1 3.99Å; M76-L128 HydrophobicContact SD-CD1 3.91Å; L125-L128 HydrophobicContact CD2-CD2 4.38Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 2.83Å; L128-E130 PolarHBondContact O-N 3.47Å; L128-E130 VanDerWaalsContact O-N 3.09Å; L128-I131 PolarHBondContact O-N 3.24Å; L128-I131 VanDerWaalsContact O-N 3.14Å; L128-A134 HydrophobicContact CD1-CB 4.01Å; L128-A134 HydrophobicContact CG-CB 3.85Å; L128-A134 WeakPolarHBondContact O-CB 3.5Å; L128-V136 HydrophobicContact CD2-CB 3.7Å; L128-V136 HydrophobicContact CD2-CG1 3.76Å; L128-V169 HydrophobicContact CD2-CG1 4.26Å
129	P	97.1	Very high	96.1	Very high	61 Å²	61	37.4 Å²	37.4	40%	0.396	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.8	-9.9	175.6	-23.1	36.1	0	0	0	114.8	S126 S127 I131 V169	S126-P129 WeakPolarHBondContact O-CD 3.47Å; S127-P129 VanDerWaalsContact C-N 3.33Å; P129-I131 PolarHBondContact O-N 3.15Å; P129-V169 HydrophobicContact CG-CG2 3.95Å
130	E	96.6	Very high	96.4	Very high	112 Å²	112	32.8 Å²	32.8	52%	0.523	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-71.3	-10.1	173.5	-59.4	173.1	-152.1	0	0	112.9	K77 S127 L128	K77-E130 IonicContact NZ-OE2 2.84Å; K77-E130 PolarHBondContact NZ-OE2 2.98Å; S127-E130 WeakPolarHBondContact CA-OE1 3.12Å; S127-E130 WeakPolarHBondContact CB-OE1 3.33Å; S127-E130 WeakPolarHBondContact O-CB 3.44Å; S127-E130 VanDerWaalsContact O-CG 3.22Å; S127-E130 WeakPolarHBondContact O-CG 3.39Å; S127-E130 PolarHBondContact O-N 3.3Å; S127-E130 PolarHBondContact OG-OE1 2.8Å; L128-E130 PolarHBondContact O-N 3.47Å; L128-E130 VanDerWaalsContact O-N 3.09Å
131	I	96.8	Very high	96.6	Very high	20 Å²	20	32.7 Å²	32.7	10%	0.103	19%	0.189	C	C	.	.	S	Bend	trans	-104.4	128.2	177.1	-61.6	174.1	0	0	0	109.2	V73 M76 K77 N82 L128 P129 N133 A134	V73-I131 HydrophobicContact CG1-CD1 3.99Å; V73-I131 HydrophobicContact CG1-CG1 4.37Å; M76-I131 HydrophobicContact CB-CD1 3.47Å; M76-I131 VanDerWaalsContact CB-CD1 3.47Å; M76-I131 HydrophobicContact CE-CD1 4.12Å; M76-I131 HydrophobicContact CG-CD1 4.49Å; M76-I131 HydrophobicContact SD-CD1 4.3Å; K77-I131 HydrophobicContact CG-CD1 3.95Å; K77-I131 HydrophobicContact CG-CG1 3.75Å; N82-I131 HydrophobicContact CB-CG2 4.42Å; L128-I131 PolarHBondContact O-N 3.24Å; L128-I131 VanDerWaalsContact O-N 3.14Å; P129-I131 PolarHBondContact O-N 3.15Å; I131-N133 PolarHBondContact O-N 2.94Å; I131-A134 HydrophobicContact CB-CB 3.95Å; I131-A134 HydrophobicContact CG2-CB 4.18Å; I131-A134 VanDerWaalsContact O-CB 3.28Å; I131-A134 WeakPolarHBondContact O-CB 3.22Å; I131-A134 PolarHBondContact O-N 2.83Å
132	D	94.2	Very high	96.7	Very high	145 Å²	145	30.6 Å²	30.6	78%	0.775	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	133.7	176.9	-70.6	-27.2	0	0	0	111.3	A134	D132-A134 PolarHBondContact O-N 2.86Å
133	N	93.8	Very high	96.4	Very high	79 Å²	79	34.4 Å²	34.4	42%	0.422	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	31.7	-178.5	-60.8	-35.4	0	0	0	114.1	I131 F234	I131-N133 PolarHBondContact O-N 2.94Å; N133-F234 HydrophobicContact CB-CD1 3.65Å; N133-F234 HydrophobicContact CB-CE1 4.05Å
134	A	97.4	Very high	95.8	Very high	9 Å²	9	34.9 Å²	34.9	7%	0.074	20%	0.201	C	C	.	.			trans	-66.1	138.5	178.9	0	0	0	0	0	113	N82 L128 I131 D132	N82-A134 CarbonylContact O-C 3.51Å; N82-A134 VanDerWaalsContact O-CA 3.25Å; N82-A134 WeakPolarHBondContact O-CA 3.28Å; L128-A134 HydrophobicContact CD1-CB 4.01Å; L128-A134 HydrophobicContact CG-CB 3.85Å; L128-A134 WeakPolarHBondContact O-CB 3.5Å; I131-A134 HydrophobicContact CB-CB 3.95Å; I131-A134 HydrophobicContact CG2-CB 4.18Å; I131-A134 VanDerWaalsContact O-CB 3.28Å; I131-A134 WeakPolarHBondContact O-CB 3.22Å; I131-A134 PolarHBondContact O-N 2.83Å; D132-A134 PolarHBondContact O-N 2.86Å
135	L	98.3	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132	174.3	174.5	64.1	0	0	0	109.6	N82 I83 I84 V137 K170 I203 F226 V230 F234	N82-L135 PolarHBondContact O-N 3.27Å; I83-L135 WeakPolarHBondContact CA-O 3.14Å; I83-L135 HydrophobicContact CD1-CD2 4.36Å; I83-L135 HydrophobicContact CG1-CB 4.31Å; I84-L135 PolarHBondContact N-O 2.85Å; I84-L135 VanDerWaalsContact N-O 3.1Å; L135-V137 HydrophobicContact CD2-CG2 4.15Å; L135-V137 HydrophobicContact CG-CG2 4.05Å; L135-K170 HydrophobicContact CD1-CB 4.23Å; L135-I203 HydrophobicContact CD1-CB 4.35Å; L135-I203 HydrophobicContact CD1-CG1 3.97Å; L135-F226 HydrophobicContact CD2-CE2 4.34Å; L135-F226 HydrophobicContact CD2-CZ 3.96Å; L135-V230 HydrophobicContact CD2-CG1 4.28Å; L135-V230 HydrophobicContact CD2-CG2 3.82Å; L135-F234 HydrophobicContact CB-CE2 4.24Å; L135-F234 HydrophobicContact CB-CZ 4.01Å; L135-F234 HydrophobicContact CD2-CE2 4.25Å
136	V	98.6	Very high	94.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.1	168.7	57.3	0	0	0	0	110.7	I84 F86 L125 L128 F138 V169 K170 F171 A172	I84-V136 HydrophobicContact CG2-CB 4.04Å; I84-V136 HydrophobicContact CG2-CG2 3.99Å; I84-V136 CarbonylContact O-C 3.43Å; I84-V136 WeakPolarHBondContact O-CA 3.14Å; F86-V136 HydrophobicContact CD2-CG2 3.74Å; F86-V136 HydrophobicContact CE2-CG2 3.96Å; L125-V136 HydrophobicContact CD2-CB 4.34Å; L125-V136 HydrophobicContact CD2-CG1 4.07Å; L125-V136 HydrophobicContact CD2-CG2 4.14Å; L128-V136 HydrophobicContact CD2-CB 3.7Å; L128-V136 HydrophobicContact CD2-CG1 3.76Å; V136-F138 HydrophobicContact CB-CE2 4.31Å; V136-F138 HydrophobicContact CG1-CE2 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.49Å; V136-F138 HydrophobicContact CG2-CD2 4.13Å; V136-F138 HydrophobicContact CG2-CE1 4.28Å; V136-F138 HydrophobicContact CG2-CE2 3.45Å; V136-F138 VanDerWaalsContact CG2-CE2 3.45Å; V136-F138 HydrophobicContact CG2-CZ 3.54Å; V136-V169 HydrophobicContact CG1-CG1 3.91Å; V136-K170 WeakPolarHBondContact CG1-O 3.43Å; V136-K170 PolarHBondContact N-O 2.91Å; V136-F171 HydrophobicContact CG1-CB 3.81Å; V136-F171 CarbonylContact O-C 3.56Å; V136-F171 WeakPolarHBondContact O-CA 3.45Å; V136-A172 PolarHBondContact O-N 2.91Å; V136-A172 VanDerWaalsContact O-N 3.1Å
137	V	98.8	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.3	175.8	-175.8	0	0	0	0	109.7	I84 V85 F86 L101 L135 A172 W222 F226	I84-V137 PolarHBondContact O-N 3.1Å; V85-V137 CarbonylContact C-O 3.55Å; V85-V137 VanDerWaalsContact CA-O 3.29Å; V85-V137 WeakPolarHBondContact CA-O 3.39Å; V85-V137 HydrophobicContact CB-CB 4.41Å; V85-V137 HydrophobicContact CG1-CB 3.93Å; V85-V137 HydrophobicContact CG1-CG1 4.1Å; V85-V137 HydrophobicContact CG2-CB 4.16Å; F86-V137 PolarHBondContact N-O 2.9Å; L101-V137 HydrophobicContact CD1-CG1 3.95Å; L135-V137 HydrophobicContact CD2-CG2 4.15Å; L135-V137 HydrophobicContact CG-CG2 4.05Å; V137-A172 CarbonylContact C-O 3.52Å; V137-A172 VanDerWaalsContact CA-O 3.32Å; V137-A172 WeakPolarHBondContact CA-O 3.3Å; V137-A172 HydrophobicContact CG1-CB 4.49Å; V137-A172 HydrophobicContact CG2-CB 4.4Å; V137-W222 HydrophobicContact CG1-CH2 4.16Å; V137-F226 HydrophobicContact CG2-CE2 4.16Å; V137-F226 HydrophobicContact CG2-CZ 3.74Å
138	F	98.8	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.1	178.5	-64.3	-88.9	0	0	0	111	F86 L122 L125 V136 M140 F155 A172 V173 F174 V191 L195	F86-F138 HydrophobicContact CB-CD1 3.8Å; F86-F138 HydrophobicContact CB-CE1 4.03Å; F86-F138 HydrophobicContact CD2-CD1 4.27Å; F86-F138 AromaticContact CD2-CE1 3.71Å; F86-F138 HydrophobicContact CD2-CE1 3.71Å; F86-F138 HydrophobicContact CD2-CZ 4.17Å; F86-F138 HydrophobicContact CG-CD1 4.43Å; F86-F138 HydrophobicContact CG-CE1 4.17Å; L122-F138 HydrophobicContact CD1-CE1 4.48Å; L125-F138 HydrophobicContact CD1-CZ 4.23Å; L125-F138 HydrophobicContact CD2-CZ 4.4Å; V136-F138 HydrophobicContact CB-CE2 4.31Å; V136-F138 HydrophobicContact CG1-CE2 3.92Å; V136-F138 HydrophobicContact CG1-CZ 4.49Å; V136-F138 HydrophobicContact CG2-CD2 4.13Å; V136-F138 HydrophobicContact CG2-CE1 4.28Å; V136-F138 HydrophobicContact CG2-CE2 3.45Å; V136-F138 VanDerWaalsContact CG2-CE2 3.45Å; V136-F138 HydrophobicContact CG2-CZ 3.54Å; F138-M140 HydrophobicContact CB-CG 3.78Å; F138-M140 HydrophobicContact CB-SD 3.91Å; F138-M140 HydrophobicContact CD1-SD 4.2Å; F138-F155 AromaticContact CD1-CE1 3.9Å; F138-F155 HydrophobicContact CD1-CE1 3.9Å; F138-F155 HydrophobicContact CD1-CZ 4.04Å; F138-F155 AromaticContact CE1-CE1 3.76Å; F138-F155 HydrophobicContact CE1-CE1 3.76Å; F138-F155 HydrophobicContact CE1-CE2 4.23Å; F138-F155 AromaticContact CE1-CZ 3.48Å; F138-F155 HydrophobicContact CE1-CZ 3.48Å; F138-F155 VanDerWaalsContact CE1-CZ 3.48Å; F138-F155 AromaticContact CZ-CZ 3.93Å; F138-F155 HydrophobicContact CZ-CZ 3.93Å; F138-A172 PolarHBondContact N-O 3.47Å; F138-V173 HydrophobicContact CB-CG1 4.32Å; F138-V173 HydrophobicContact CB-CG2 4.25Å; F138-V173 HydrophobicContact CD2-CG2 4.4Å; F138-V173 WeakPolarHBondContact O-CA 3.26Å; F138-F174 PolarHBondContact O-N 3.26Å; F138-V191 HydrophobicContact CB-CG1 4.27Å; F138-V191 HydrophobicContact CD1-CG1 4.42Å; F138-V191 HydrophobicContact CD2-CG1 4.23Å; F138-V191 HydrophobicContact CG-CG1 4.06Å; F138-L195 HydrophobicContact CD2-CD1 3.73Å; F138-L195 HydrophobicContact CE2-CD1 3.43Å; F138-L195 VanDerWaalsContact CE2-CD1 3.43Å; F138-L195 HydrophobicContact CZ-CD1 4.23Å
139	C	98.7	Very high	94.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	100	168.5	-68	0	0	0	0	108.9	F86 Y87 G88 A94 A98 F174 L176	F86-C139 PolarHBondContact O-N 3.32Å; Y87-C139 CarbonylContact C-O 3.56Å; Y87-C139 WeakPolarHBondContact CA-O 3.44Å; G88-C139 PolarHBondContact N-O 3.09Å; A94-C139 HydrophobicContact CB-CB 4.19Å; A94-C139 WeakPolarHBondContact CB-O 3.48Å; A98-C139 HydrophobicContact CB-CB 4.37Å; C139-F174 CarbonylContact C-O 3.58Å; C139-F174 WeakPolarHBondContact CA-O 3.36Å; C139-L176 HydrophobicContact CB-CD1 4.39Å
140	M	98.5	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.3	-167.6	-54.1	-52.5	-72.4	0	0	111.9	F138 A152 F155 V173 F174 G175 L176 M187 V191	F138-M140 HydrophobicContact CB-CG 3.78Å; F138-M140 HydrophobicContact CB-SD 3.91Å; F138-M140 HydrophobicContact CD1-SD 4.2Å; M140-A152 HydrophobicContact CE-CB 3.76Å; M140-F155 HydrophobicContact CE-CD1 4.02Å; M140-F155 HydrophobicContact CE-CE1 4.12Å; M140-V173 HydrophobicContact CG-CG1 4.49Å; M140-F174 PolarHBondContact N-O 3.35Å; M140-G175 WeakPolarHBondContact O-CA 3.37Å; M140-L176 PolarHBondContact O-N 3.06Å; M140-M187 HydrophobicContact CB-CG 4.07Å; M140-M187 HydrophobicContact CE-CE 3.66Å; M140-M187 HydrophobicContact CE-CG 4.22Å; M140-V191 HydrophobicContact CE-CG2 4.39Å; M140-V191 HydrophobicContact CG-CG2 4.26Å
141	A	98	Very high	94.1	Very high	17 Å²	17	32.8 Å²	32.8	14%	0.14	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	145.4	168.3	0	0	0	0	0	111.3	G88 A94 T149 L176	G88-A141 WeakPolarHBondContact O-CB 3.44Å; G88-A141 PolarHBondContact O-N 3.17Å; A94-A141 HydrophobicContact CB-CB 4.46Å; A141-T149 HydrophobicContact CB-CG2 3.93Å; A141-L176 WeakPolarHBondContact CA-O 3.4Å; A141-L176 HydrophobicContact CB-CB 4.08Å
142	T	95.6	Very high	94.1	Very high	27 Å²	27	31.9 Å²	31.9	17%	0.166	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.1	171.8	-53	0	0	0	0	109.6	L176 A186 M187	T142-L176 PolarHBondContact N-O 3.19Å; T142-A186 HydrophobicContact CG2-CB 4.01Å; T142-A186 PolarHBondContact OG1-N 2.93Å; T142-M187 PolarHBondContact OG1-N 2.95Å
143	Y	88	Confident	94.2	Very high	85 Å²	85	28.2 Å²	28.2	33%	0.333	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	167.8	179.2	-148.1	-101.1	0	0	0	111.6	Q90 E145 G146 D147 R517	Q90-Y143 HydrophobicContact CB-CD2 3.91Å; Q90-Y143 HydrophobicContact CB-CE2 4Å; Q90-Y143 HydrophobicContact CG-CD2 4.01Å; Q90-Y143 HydrophobicContact CG-CE1 4.39Å; Q90-Y143 HydrophobicContact CG-CE2 3.78Å; Q90-Y143 HydrophobicContact CG-CG 4.39Å; Y143-E145 PolarHBondContact O-N 3.23Å; Y143-G146 PolarHBondContact O-N 3.21Å; Y143-D147 PolarHBondContact N-O 3.49Å; Y143-D147 PolarHBondContact O-N 2.99Å; Y143-R517 VanDerWaalsContact CD1-NH2 3.33Å
144	G	82.2	Confident	94.2	Very high	38 Å²	38	28.7 Å²	28.7	39%	0.392	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-131.9	178.6	0	0	0	0	0	113.1	G146	G144-G146 VanDerWaalsContact C-N 3.32Å; G144-G146 PolarHBondContact O-N 2.96Å
145	E	82.3	Confident	94.2	Very high	75 Å²	75	28.6 Å²	28.6	35%	0.35	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	45.6	-179.4	-65.5	-63.4	134.4	0	0	111.6	Y143 H183 L676	Y143-E145 PolarHBondContact O-N 3.23Å; E145-H183 PolarHBondContact O-CD2 3.06Å; E145-L676 WeakPolarHBondContact OE1-CB 3.5Å
146	G	87.1	Confident	94.2	Very high	16 Å²	16	31 Å²	31	17%	0.165	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	13.3	-176.3	0	0	0	0	0	114.5	Y143 G144 H183 A186	Y143-G146 PolarHBondContact O-N 3.21Å; G144-G146 VanDerWaalsContact C-N 3.32Å; G144-G146 PolarHBondContact O-N 2.96Å; G146-H183 VanDerWaalsContact CA-CB 3.5Å; G146-A186 WeakPolarHBondContact O-CB 3.29Å
147	D	90.7	Very high	94	Very high	77 Å²	77	33.6 Å²	33.6	41%	0.412	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	159.3	179.6	-62.6	-44.7	0	0	0	111.6	Y143	Y143-D147 PolarHBondContact N-O 3.49Å; Y143-D147 PolarHBondContact O-N 2.99Å
148	P	95.8	Very high	94	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	165.6	166.1	30.9	-38.5	0	0	0	111.3	A152 Y156 M187	P148-A152 HydrophobicContact CB-CB 4.27Å; P148-Y156 HydrophobicContact CB-CG 4.26Å; P148-Y156 HydrophobicContact CG-CD1 3.96Å; P148-Y156 HydrophobicContact CG-CD2 4.38Å; P148-Y156 HydrophobicContact CG-CG 3.78Å; P148-M187 HydrophobicContact CB-CE 3.99Å; P148-M187 HydrophobicContact CB-CG 4.32Å; P148-M187 HydrophobicContact CB-SD 3.83Å
149	T	94.9	Very high	93.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-71.4	156.3	165.2	41.5	0	0	0	0	110.4	G88 S89 Q90 A141 N151 A152 Q153	G88-T149 WeakPolarHBondContact CA-OG1 3.33Å; G88-T149 PolarHBondContact O-OG1 2.84Å; S89-T149 PolarHBondContact N-OG1 3.24Å; Q90-T149 HydrophobicContact CB-CG2 4Å; A141-T149 HydrophobicContact CB-CG2 3.93Å; T149-N151 VanDerWaalsContact C-N 3.27Å; T149-N151 PolarHBondContact O-N 3.46Å; T149-N151 PolarHBondContact OG1-OD1 3.25Å; T149-A152 CarbonylContact O-C 3.59Å; T149-A152 WeakPolarHBondContact O-CA 3.38Å; T149-A152 PolarHBondContact O-N 3.19Å; T149-Q153 PolarHBondContact O-N 3.43Å
150	D	92.3	Very high	93.6	Very high	79 Å²	79	40.4 Å²	40.4	42%	0.422	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-54.4	-43.4	-174.2	-63.5	-22.3	0	0	0	112	Q90 A152 Q153 R517	Q90-D150 PolarHBondContact NE2-OD2 2.91Å; Q90-D150 PolarHBondContact OE1-OD2 2.89Å; D150-A152 PolarHBondContact O-N 3.16Å; D150-Q153 WeakPolarHBondContact O-CB 3.2Å; D150-Q153 PolarHBondContact O-N 3.42Å; D150-R517 VanDerWaalsContact CG-NH2 3.29Å; D150-R517 IonicContact OD1-CZ 3.66Å; D150-R517 IonicContact OD1-NE 3.22Å; D150-R517 IonicContact OD1-NH2 3.25Å; D150-R517 PolarHBondContact OD1-NH2 3.1Å; D150-R517 IonicContact OD2-CZ 3.42Å; D150-R517 VanDerWaalsContact OD2-CZ 3.31Å; D150-R517 IonicContact OD2-NE 2.68Å; D150-R517 PolarHBondContact OD2-NE 3.3Å; D150-R517 IonicContact OD2-NH2 3.72Å; D150-R517 PolarHBondContact OD2-NH2 3.13Å
151	N	95.6	Very high	93.5	Very high	17 Å²	17	48 Å²	48	9%	0.091	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-72.9	-8.5	-179.9	81.7	-56.7	0	0	0	114	Y87 S89 D116 E118 T149	Y87-N151 PolarHBondContact O-ND2 3.47Å; S89-N151 PolarHBondContact N-OD1 2.98Å; S89-N151 PolarHBondContact O-OD1 3.48Å; D116-N151 PolarHBondContact OD1-ND2 2.83Å; E118-N151 HydrophobicContact CB-CB 4.26Å; E118-N151 WeakPolarHBondContact CB-O 3.39Å; E118-N151 PolarHBondContact N-O 3.39Å; T149-N151 VanDerWaalsContact C-N 3.27Å; T149-N151 PolarHBondContact O-N 3.46Å; T149-N151 PolarHBondContact OG1-OD1 3.25Å
152	A	97.4	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-108.4	4.4	177.4	0	0	0	0	0	113	P117 M140 P148 T149 D150 F155 Y156	P117-A152 HydrophobicContact CG-CB 4.47Å; M140-A152 HydrophobicContact CE-CB 3.76Å; P148-A152 HydrophobicContact CB-CB 4.27Å; T149-A152 CarbonylContact O-C 3.59Å; T149-A152 WeakPolarHBondContact O-CA 3.38Å; T149-A152 PolarHBondContact O-N 3.19Å; D150-A152 PolarHBondContact O-N 3.16Å; A152-F155 PolarHBondContact O-N 3.08Å; A152-Y156 WeakPolarHBondContact O-CB 3.46Å; A152-Y156 PolarHBondContact O-N 3.29Å
153	Q	95.1	Very high	93.2	Very high	69 Å²	69	53.5 Å²	53.5	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-62.1	-49.6	-176.7	-173.4	65	58.5	0	0	112	T149 D150 F155 Y156 D157	T149-Q153 PolarHBondContact O-N 3.43Å; D150-Q153 WeakPolarHBondContact O-CB 3.2Å; D150-Q153 PolarHBondContact O-N 3.42Å; Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 2.81Å; Q153-Y156 WeakPolarHBondContact O-CB 3.26Å; Q153-Y156 PolarHBondContact O-N 2.67Å; Q153-Y156 VanDerWaalsContact O-N 3.08Å; Q153-D157 PolarHBondContact NE2-OD1 2.91Å; Q153-D157 PolarHBondContact O-N 2.86Å
154	D	94.9	Very high	93.5	Very high	89 Å²	89	51.9 Å²	51.9	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-38.5	179.4	-74.6	3.1	0	0	0	111.8	W158	D154-W158 WeakPolarHBondContact O-CB 3.48Å; D154-W158 PolarHBondContact O-N 2.89Å
155	F	97.6	Very high	94.1	Very high	7 Å²	7	55 Å²	55	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-40.8	175.9	171.5	-129.1	0	0	0	112.3	P117 L122 F138 M140 A152 Q153 W158 L159 M187 V191	P117-F155 HydrophobicContact CB-CB 4.42Å; L122-F155 HydrophobicContact CB-CD2 3.71Å; L122-F155 HydrophobicContact CB-CE2 4.1Å; L122-F155 HydrophobicContact CD1-CD2 4.44Å; L122-F155 HydrophobicContact CD1-CE2 4.47Å; L122-F155 HydrophobicContact CG-CB 4.45Å; L122-F155 HydrophobicContact CG-CD2 3.57Å; L122-F155 HydrophobicContact CG-CE2 4.03Å; L122-F155 HydrophobicContact CG-CG 4.17Å; F138-F155 AromaticContact CD1-CE1 3.9Å; F138-F155 HydrophobicContact CD1-CE1 3.9Å; F138-F155 HydrophobicContact CD1-CZ 4.04Å; F138-F155 AromaticContact CE1-CE1 3.76Å; F138-F155 HydrophobicContact CE1-CE1 3.76Å; F138-F155 HydrophobicContact CE1-CE2 4.23Å; F138-F155 AromaticContact CE1-CZ 3.48Å; F138-F155 HydrophobicContact CE1-CZ 3.48Å; F138-F155 VanDerWaalsContact CE1-CZ 3.48Å; F138-F155 AromaticContact CZ-CZ 3.93Å; F138-F155 HydrophobicContact CZ-CZ 3.93Å; M140-F155 HydrophobicContact CE-CD1 4.02Å; M140-F155 HydrophobicContact CE-CE1 4.12Å; A152-F155 PolarHBondContact O-N 3.08Å; Q153-F155 VanDerWaalsContact C-N 3.26Å; Q153-F155 PolarHBondContact O-N 2.81Å; F155-W158 AromaticContact CD2-CE3 3.86Å; F155-W158 HydrophobicContact CD2-CE3 3.86Å; F155-W158 HydrophobicContact CD2-CZ3 4.29Å; F155-W158 AromaticContact CE2-CE3 3.89Å; F155-W158 HydrophobicContact CE2-CE3 3.89Å; F155-W158 AromaticContact CE2-CZ3 3.86Å; F155-W158 HydrophobicContact CE2-CZ3 3.86Å; F155-W158 PolarHBondContact O-N 3.49Å; F155-L159 HydrophobicContact CD1-CD1 4.33Å; F155-L159 HydrophobicContact CD2-CD1 4.26Å; F155-L159 HydrophobicContact CD2-CG 4.1Å; F155-L159 HydrophobicContact CE1-CD1 3.8Å; F155-L159 HydrophobicContact CE2-CD1 3.72Å; F155-L159 HydrophobicContact CE2-CD2 4.03Å; F155-L159 HydrophobicContact CE2-CG 3.68Å; F155-L159 HydrophobicContact CZ-CD1 3.48Å; F155-L159 VanDerWaalsContact CZ-CD1 3.48Å; F155-L159 HydrophobicContact CZ-CD2 4.32Å; F155-L159 HydrophobicContact CZ-CG 3.98Å; F155-L159 WeakPolarHBondContact O-CG 3.15Å; F155-L159 PolarHBondContact O-N 2.84Å; F155-M187 HydrophobicContact CD1-CE 4.2Å; F155-V191 HydrophobicContact CE1-CG1 4.05Å; F155-V191 HydrophobicContact CE1-CG2 3.79Å; F155-V191 HydrophobicContact CZ-CG1 4.11Å; F155-V191 HydrophobicContact CZ-CG2 4.43Å
156	Y	97.2	Very high	94.8	Very high	49 Å²	49	51.4 Å²	51.4	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-62.1	-47	175.8	176.8	-101.5	0	0	0	111.6	P148 A152 Q153 W158 L159 Q160 M187 Y190	P148-Y156 HydrophobicContact CB-CG 4.26Å; P148-Y156 HydrophobicContact CG-CD1 3.96Å; P148-Y156 HydrophobicContact CG-CD2 4.38Å; P148-Y156 HydrophobicContact CG-CG 3.78Å; A152-Y156 WeakPolarHBondContact O-CB 3.46Å; A152-Y156 PolarHBondContact O-N 3.29Å; Q153-Y156 WeakPolarHBondContact O-CB 3.26Å; Q153-Y156 PolarHBondContact O-N 2.67Å; Q153-Y156 VanDerWaalsContact O-N 3.08Å; Y156-W158 VanDerWaalsContact C-N 3.35Å; Y156-W158 PolarHBondContact O-N 3.41Å; Y156-L159 WeakPolarHBondContact O-CB 3.32Å; Y156-L159 PolarHBondContact O-N 3.22Å; Y156-Q160 HydrophobicContact CE1-CG 4.31Å; Y156-Q160 WeakPolarHBondContact O-CG 3.3Å; Y156-Q160 PolarHBondContact O-N 3.34Å; Y156-Q160 VanDerWaalsContact O-N 3.15Å; Y156-Q160 PolarHBondContact OH-NE2 2.82Å; Y156-M187 HydrophobicContact CD2-CE 3.96Å; Y156-M187 HydrophobicContact CD2-SD 3.61Å; Y156-M187 HydrophobicContact CE2-SD 4.28Å; Y156-M187 HydrophobicContact CG-CE 4.41Å; Y156-M187 HydrophobicContact CG-SD 4.42Å; Y156-Y190 AromaticContact CD2-CD1 3.6Å; Y156-Y190 HydrophobicContact CD2-CD1 3.6Å; Y156-Y190 AromaticContact CD2-CE1 3.56Å; Y156-Y190 HydrophobicContact CD2-CE1 3.56Å; Y156-Y190 AromaticContact CE2-CD1 3.51Å; Y156-Y190 HydrophobicContact CE2-CD1 3.51Å; Y156-Y190 AromaticContact CE2-CE1 3.54Å; Y156-Y190 HydrophobicContact CE2-CE1 3.54Å; Y156-Y190 HydrophobicContact CE2-CG 4.07Å
157	D	95.6	Very high	95.3	Very high	56 Å²	56	54 Å²	54	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-44.8	177.9	-65.1	-10.1	0	0	0	110.5	Q153 L159 Q160 E161	Q153-D157 PolarHBondContact NE2-OD1 2.91Å; Q153-D157 PolarHBondContact O-N 2.86Å; D157-L159 PolarHBondContact O-N 3.25Å; D157-Q160 WeakPolarHBondContact O-CB 3.31Å; D157-Q160 PolarHBondContact O-N 3.13Å; D157-Q160 VanDerWaalsContact O-N 3.12Å; D157-E161 WeakPolarHBondContact O-CG 3.42Å; D157-E161 PolarHBondContact O-N 3.08Å
158	W	97.1	Very high	95.5	Very high	42 Å²	42	52.7 Å²	52.7	16%	0.159	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-45.8	174.8	174.1	80.8	0	0	0	112.3	L122 L125 D154 F155 Y156 Q160 E161 T162 L166	L122-W158 HydrophobicContact CB-CE3 4.23Å; L122-W158 HydrophobicContact CB-CZ3 4.37Å; L125-W158 HydrophobicContact CD1-CH2 4.12Å; L125-W158 HydrophobicContact CD1-CZ3 4.15Å; D154-W158 WeakPolarHBondContact O-CB 3.48Å; D154-W158 PolarHBondContact O-N 2.89Å; F155-W158 AromaticContact CD2-CE3 3.86Å; F155-W158 HydrophobicContact CD2-CE3 3.86Å; F155-W158 HydrophobicContact CD2-CZ3 4.29Å; F155-W158 AromaticContact CE2-CE3 3.89Å; F155-W158 HydrophobicContact CE2-CE3 3.89Å; F155-W158 AromaticContact CE2-CZ3 3.86Å; F155-W158 HydrophobicContact CE2-CZ3 3.86Å; F155-W158 PolarHBondContact O-N 3.49Å; Y156-W158 VanDerWaalsContact C-N 3.35Å; Y156-W158 PolarHBondContact O-N 3.41Å; W158-Q160 PolarHBondContact O-N 2.83Å; W158-E161 PolarHBondContact O-N 3.32Å; W158-T162 HydrophobicContact CD2-CG2 3.99Å; W158-T162 HydrophobicContact CE3-CG2 4.22Å; W158-T162 HydrophobicContact CH2-CG2 4.11Å; W158-T162 HydrophobicContact CZ2-CG2 3.86Å; W158-T162 HydrophobicContact CZ3-CG2 4.28Å; W158-T162 WeakPolarHBondContact O-CB 3.29Å; W158-T162 WeakPolarHBondContact O-CG2 3.49Å; W158-T162 PolarHBondContact O-N 3.42Å; W158-L166 HydrophobicContact CH2-CD1 4.38Å
159	L	96.4	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-31.6	177.8	-81.5	176.9	0	0	0	112.8	F155 Y156 D157 Y190 V191 R194 L195 L198	F155-L159 HydrophobicContact CD1-CD1 4.33Å; F155-L159 HydrophobicContact CD2-CD1 4.26Å; F155-L159 HydrophobicContact CD2-CG 4.1Å; F155-L159 HydrophobicContact CE1-CD1 3.8Å; F155-L159 HydrophobicContact CE2-CD1 3.72Å; F155-L159 HydrophobicContact CE2-CD2 4.03Å; F155-L159 HydrophobicContact CE2-CG 3.68Å; F155-L159 HydrophobicContact CZ-CD1 3.48Å; F155-L159 VanDerWaalsContact CZ-CD1 3.48Å; F155-L159 HydrophobicContact CZ-CD2 4.32Å; F155-L159 HydrophobicContact CZ-CG 3.98Å; F155-L159 WeakPolarHBondContact O-CG 3.15Å; F155-L159 PolarHBondContact O-N 2.84Å; Y156-L159 WeakPolarHBondContact O-CB 3.32Å; Y156-L159 PolarHBondContact O-N 3.22Å; D157-L159 PolarHBondContact O-N 3.25Å; L159-Y190 HydrophobicContact CB-CE1 3.8Å; L159-Y190 HydrophobicContact CD1-CD1 4.36Å; L159-Y190 HydrophobicContact CD1-CE1 3.99Å; L159-Y190 PolarHBondContact O-OH 3.48Å; L159-V191 HydrophobicContact CD1-CB 4.49Å; L159-V191 HydrophobicContact CD1-CG2 3.92Å; L159-R194 HydrophobicContact CB-CG 4.04Å; L159-R194 HydrophobicContact CD2-CB 4.27Å; L159-R194 HydrophobicContact CD2-CG 3.75Å; L159-R194 HydrophobicContact CG-CG 4.37Å; L159-R194 PolarHBondContact O-NE 3.49Å; L159-L195 HydrophobicContact CD2-CD2 4.43Å; L159-L198 HydrophobicContact CD2-CD1 4.04Å
160	Q	94	Very high	95.8	Very high	101 Å²	101	55 Å²	55	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-72	-36.7	177.1	-70.3	-174	-25.2	0	0	112.6	Y156 D157 W158 Y190	Y156-Q160 HydrophobicContact CE1-CG 4.31Å; Y156-Q160 WeakPolarHBondContact O-CG 3.3Å; Y156-Q160 PolarHBondContact O-N 3.34Å; Y156-Q160 VanDerWaalsContact O-N 3.15Å; Y156-Q160 PolarHBondContact OH-NE2 2.82Å; D157-Q160 WeakPolarHBondContact O-CB 3.31Å; D157-Q160 PolarHBondContact O-N 3.13Å; D157-Q160 VanDerWaalsContact O-N 3.12Å; W158-Q160 PolarHBondContact O-N 2.83Å; Q160-Y190 WeakPolarHBondContact CA-OH 3.25Å; Q160-Y190 WeakPolarHBondContact CG-OH 3.28Å; Q160-Y190 PolarHBondContact N-OH 3.47Å
161	E	95.2	Very high	96.1	Very high	160 Å²	160	51.2 Å²	51.2	75%	0.748	27%	0.273	S	S	*	.	H	α-helix	trans	-96.1	-27.9	-171.1	-64.2	-178.9	176.2	0	0	113.7	D157 W158	D157-E161 WeakPolarHBondContact O-CG 3.42Å; D157-E161 PolarHBondContact O-N 3.08Å; W158-E161 PolarHBondContact O-N 3.32Å
162	T	93.6	Very high	96.3	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.08	27%	0.269	C	S	.	.			trans	-75.3	145.3	-171.5	-166.5	0	0	0	0	112.8	W158 V164 R194 L198	W158-T162 HydrophobicContact CD2-CG2 3.99Å; W158-T162 HydrophobicContact CE3-CG2 4.22Å; W158-T162 HydrophobicContact CH2-CG2 4.11Å; W158-T162 HydrophobicContact CZ2-CG2 3.86Å; W158-T162 HydrophobicContact CZ3-CG2 4.28Å; W158-T162 WeakPolarHBondContact O-CB 3.29Å; W158-T162 WeakPolarHBondContact O-CG2 3.49Å; W158-T162 PolarHBondContact O-N 3.42Å; T162-V164 VanDerWaalsContact OG1-CG2 3.28Å; T162-V164 WeakPolarHBondContact OG1-CG2 3.39Å; T162-V164 PolarHBondContact OG1-N 2.81Å; T162-R194 PolarHBondContact O-NH2 2.67Å; T162-L198 HydrophobicContact CG2-CD1 3.79Å; T162-L198 HydrophobicContact CG2-CD2 4.25Å
163	D	94	Very high	96.4	Very high	147 Å²	147	50.4 Å²	50.4	79%	0.786	27%	0.269	S	S	*	.			trans	-124.1	23.5	168.2	-73.2	-43.1	0	0	0	111.1	R194	D163-R194 IonicContact OD1-NH2 2.83Å
164	V	93.9	Very high	96.5	Very high	51 Å²	51	47.1 Å²	47.1	31%	0.309	25%	0.254	S	S	.	.			trans	-63.9	136.5	177.7	173.2	0	0	0	0	110.3	T162 L166 L198	T162-V164 VanDerWaalsContact OG1-CG2 3.28Å; T162-V164 WeakPolarHBondContact OG1-CG2 3.39Å; T162-V164 PolarHBondContact OG1-N 2.81Å; V164-L166 HydrophobicContact CG1-CD2 4.15Å; V164-L198 WeakPolarHBondContact O-CD2 3.14Å
165	D	95.8	Very high	96.7	Very high	102 Å²	102	42.9 Å²	42.9	55%	0.545	23%	0.231	S	C	.	.			trans	-77.7	121	173.6	-177.8	16.9	0	0	0	110.4	S167	D165-S167 VanDerWaalsContact CG-OG 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 2.87Å; D165-S167 PolarHBondContact OD1-OG 2.84Å; D165-S167 PolarHBondContact OD2-OG 3.49Å
166	L	97.5	Very high	96.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.232	C	C	.	.			trans	-104.6	22.1	176.6	-59.8	-177.1	0	0	0	111.7	L125 W158 V164 G168 V169 L195 L198 A200	L125-L166 HydrophobicContact CB-CD2 3.81Å; W158-L166 HydrophobicContact CH2-CD1 4.38Å; V164-L166 HydrophobicContact CG1-CD2 4.15Å; L166-G168 PolarHBondContact O-N 3.27Å; L166-V169 HydrophobicContact CB-CB 4.19Å; L166-V169 HydrophobicContact CB-CG2 3.97Å; L166-V169 HydrophobicContact CD2-CG2 4.33Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 WeakPolarHBondContact O-CG2 3.49Å; L166-V169 PolarHBondContact O-N 2.85Å; L166-L195 HydrophobicContact CD1-CD2 3.78Å; L166-L198 HydrophobicContact CB-CB 4.31Å; L166-L198 HydrophobicContact CD1-CB 3.91Å; L166-L198 HydrophobicContact CD1-CD1 3.96Å; L166-L198 HydrophobicContact CG-CB 4Å; L166-L198 PolarHBondContact N-O 3.03Å; L166-A200 HydrophobicContact CB-CB 4.01Å; L166-A200 WeakPolarHBondContact O-CA 3.48Å
167	S	97.1	Very high	96.7	Very high	71 Å²	71	41.1 Å²	41.1	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	127.4	172.9	-71.1	0	0	0	0	111.7	D165 V169	D165-S167 VanDerWaalsContact CG-OG 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.5Å; D165-S167 PolarHBondContact OD1-N 2.87Å; D165-S167 PolarHBondContact OD1-OG 2.84Å; D165-S167 PolarHBondContact OD2-OG 3.49Å; S167-V169 VanDerWaalsContact C-N 3.32Å
168	G	95.3	Very high	96.5	Very high	49 Å²	49	39.3 Å²	39.3	51%	0.505	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-12.8	-177.3	0	0	0	0	0	114.7	L166	L166-G168 PolarHBondContact O-N 3.27Å
169	V	98.4	Very high	96.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	24%	0.237	C	C	.	.			trans	-70.1	130.8	170.7	176.5	0	0	0	0	109.2	L125 L128 P129 V136 L166 S167 A200 Q201	L125-V169 WeakPolarHBondContact O-CG2 3.41Å; L128-V169 HydrophobicContact CD2-CG1 4.26Å; P129-V169 HydrophobicContact CG-CG2 3.95Å; V136-V169 HydrophobicContact CG1-CG1 3.91Å; L166-V169 HydrophobicContact CB-CB 4.19Å; L166-V169 HydrophobicContact CB-CG2 3.97Å; L166-V169 HydrophobicContact CD2-CG2 4.33Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 WeakPolarHBondContact O-CG2 3.49Å; L166-V169 PolarHBondContact O-N 2.85Å; S167-V169 VanDerWaalsContact C-N 3.32Å; V169-A200 HydrophobicContact CB-CB 3.96Å; V169-A200 HydrophobicContact CG1-CB 4.14Å; V169-A200 CarbonylContact O-C 3.54Å; V169-A200 WeakPolarHBondContact O-CA 3.13Å; V169-Q201 PolarHBondContact O-N 2.83Å
170	K	98.4	Very high	95.5	Very high	49 Å²	49	45.6 Å²	45.6	21%	0.213	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.4	176.5	-63.6	177.9	-175	-168.7	0	108.9	L135 V136 Q201 I203 H233 F234	L135-K170 HydrophobicContact CD1-CB 4.23Å; V136-K170 WeakPolarHBondContact CG1-O 3.43Å; V136-K170 PolarHBondContact N-O 2.91Å; K170-Q201 WeakPolarHBondContact CA-O 3.35Å; K170-I203 HydrophobicContact CB-CD1 3.91Å; K170-I203 HydrophobicContact CB-CG1 3.72Å; K170-I203 HydrophobicContact CD-CD1 4.14Å; K170-I203 HydrophobicContact CG-CD1 3.98Å; K170-I203 HydrophobicContact CG-CG1 4.36Å; K170-H233 WeakPolarHBondContact CE-NE2 3.39Å; K170-H233 PolarHBondContact NZ-NE2 2.6Å; K170-F234 HydrophobicContact CB-CZ 4.36Å; K170-F234 HydrophobicContact CD-CE1 3.52Å; K170-F234 HydrophobicContact CD-CE2 4.49Å; K170-F234 HydrophobicContact CD-CZ 3.39Å
171	F	98.8	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.9	-176.1	81.8	-83.1	0	0	0	115.2	V136 V173 D192 L195 E196 A200 Q201 R202 I203	V136-F171 HydrophobicContact CG1-CB 3.81Å; V136-F171 CarbonylContact O-C 3.56Å; V136-F171 WeakPolarHBondContact O-CA 3.45Å; F171-V173 HydrophobicContact CD2-CG2 3.78Å; F171-V173 HydrophobicContact CE2-CG2 3.86Å; F171-D192 WeakPolarHBondContact CZ-O 3.36Å; F171-L195 HydrophobicContact CB-CD1 4.28Å; F171-L195 HydrophobicContact CD1-CB 4.06Å; F171-L195 HydrophobicContact CD2-CB 4.19Å; F171-L195 HydrophobicContact CD2-CD1 3.55Å; F171-L195 HydrophobicContact CE1-CB 3.81Å; F171-L195 HydrophobicContact CE2-CB 3.98Å; F171-L195 HydrophobicContact CE2-CD1 3.97Å; F171-L195 HydrophobicContact CG-CB 4.23Å; F171-L195 HydrophobicContact CG-CD1 3.86Å; F171-L195 HydrophobicContact CZ-CB 3.77Å; F171-E196 HydrophobicContact CZ-CB 4.35Å; F171-A200 HydrophobicContact CD1-CB 3.59Å; F171-A200 HydrophobicContact CE1-CB 3.88Å; F171-Q201 WeakPolarHBondContact CD1-O 3.38Å; F171-Q201 PolarHBondContact N-O 2.92Å; F171-R202 HydrophobicContact CE1-CB 3.93Å; F171-R202 HydrophobicContact CE2-CB 4.41Å; F171-R202 HydrophobicContact CE2-CG 4.33Å; F171-R202 HydrophobicContact CZ-CB 3.8Å; F171-R202 HydrophobicContact CZ-CG 4.18Å; F171-I203 PolarHBondContact O-N 3.38Å
172	A	98.7	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.8	164.7	0	0	0	0	0	110.5	V136 V137 F138 F204 W222 F226	V136-A172 PolarHBondContact O-N 2.91Å; V136-A172 VanDerWaalsContact O-N 3.1Å; V137-A172 CarbonylContact C-O 3.52Å; V137-A172 VanDerWaalsContact CA-O 3.32Å; V137-A172 WeakPolarHBondContact CA-O 3.3Å; V137-A172 HydrophobicContact CG1-CB 4.49Å; V137-A172 HydrophobicContact CG2-CB 4.4Å; F138-A172 PolarHBondContact N-O 3.47Å; A172-F204 HydrophobicContact CB-CB 4.31Å; A172-W222 HydrophobicContact CB-CH2 4.47Å; A172-W222 HydrophobicContact CB-CZ2 4.23Å; A172-F226 HydrophobicContact CB-CD2 4.23Å; A172-F226 HydrophobicContact CB-CE2 3.74Å
173	V	98.9	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.1	-178.8	-174.2	0	0	0	0	110.6	F138 M140 F171 V191 D192 L206 G207	F138-V173 HydrophobicContact CB-CG1 4.32Å; F138-V173 HydrophobicContact CB-CG2 4.25Å; F138-V173 HydrophobicContact CD2-CG2 4.4Å; F138-V173 WeakPolarHBondContact O-CA 3.26Å; M140-V173 HydrophobicContact CG-CG1 4.49Å; F171-V173 HydrophobicContact CD2-CG2 3.78Å; F171-V173 HydrophobicContact CE2-CG2 3.86Å; V173-V191 HydrophobicContact CG2-CG1 4.14Å; V173-D192 HydrophobicContact CB-CB 4.11Å; V173-D192 HydrophobicContact CG1-CB 4.48Å; V173-D192 HydrophobicContact CG2-CB 3.91Å; V173-L206 HydrophobicContact CB-CD1 3.83Å; V173-L206 HydrophobicContact CG1-CD1 3.7Å; V173-L206 WeakPolarHBondContact O-CA 3.28Å; V173-G207 PolarHBondContact O-N 2.84Å
174	F	98.8	Very high	94.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	112.2	166.1	-174.3	-97.1	0	0	0	109.1	F97 F138 C139 M140 L176 L215 D218 F219 W222	F97-F174 HydrophobicContact CD2-CD1 4.15Å; F97-F174 AromaticContact CD2-CE1 3.85Å; F97-F174 HydrophobicContact CD2-CE1 3.85Å; F97-F174 AromaticContact CE2-CE1 3.84Å; F97-F174 HydrophobicContact CE2-CE1 3.84Å; F138-F174 PolarHBondContact O-N 3.26Å; C139-F174 CarbonylContact C-O 3.58Å; C139-F174 WeakPolarHBondContact CA-O 3.36Å; M140-F174 PolarHBondContact N-O 3.35Å; F174-L176 HydrophobicContact CD1-CD1 3.94Å; F174-L176 HydrophobicContact CD1-CG 4.15Å; F174-L176 HydrophobicContact CE1-CD1 4.33Å; F174-L176 HydrophobicContact CE1-CG 4.02Å; F174-L215 HydrophobicContact CE1-CD1 4.36Å; F174-D218 HydrophobicContact CZ-CB 4.45Å; F174-F219 AromaticContact CD1-CD2 3.91Å; F174-F219 HydrophobicContact CD1-CD2 3.91Å; F174-F219 HydrophobicContact CD2-CD2 4.38Å; F174-F219 HydrophobicContact CE1-CB 3.98Å; F174-F219 AromaticContact CE1-CD2 3.82Å; F174-F219 HydrophobicContact CE1-CD2 3.82Å; F174-F219 HydrophobicContact CE1-CG 4.37Å; F174-F219 HydrophobicContact CE2-CB 4.35Å; F174-F219 HydrophobicContact CE2-CD2 4.32Å; F174-F219 HydrophobicContact CG-CD2 4.2Å; F174-F219 VanDerWaalsContact CZ-CA 3.48Å; F174-F219 HydrophobicContact CZ-CB 3.69Å; F174-F219 HydrophobicContact CZ-CD2 4.04Å; F174-F219 HydrophobicContact CZ-CG 4.39Å; F174-W222 HydrophobicContact CB-CD2 4.27Å; F174-W222 HydrophobicContact CB-CE3 4.32Å; F174-W222 HydrophobicContact CB-CH2 4.3Å; F174-W222 HydrophobicContact CB-CZ2 4.21Å; F174-W222 HydrophobicContact CB-CZ3 4.35Å; F174-W222 HydrophobicContact CD2-CB 3.82Å; F174-W222 AromaticContact CD2-CD1 3.92Å; F174-W222 AromaticContact CD2-CD2 3.54Å; F174-W222 HydrophobicContact CD2-CD2 3.54Å; F174-W222 AromaticContact CD2-CE3 3.96Å; F174-W222 HydrophobicContact CD2-CE3 3.96Å; F174-W222 AromaticContact CD2-CG 3.47Å; F174-W222 HydrophobicContact CD2-CG 3.47Å; F174-W222 VanDerWaalsContact CD2-CG 3.47Å; F174-W222 HydrophobicContact CE2-CB 3.7Å; F174-W222 HydrophobicContact CE2-CD2 4.34Å; F174-W222 AromaticContact CE2-CG 3.88Å; F174-W222 HydrophobicContact CE2-CG 3.88Å; F174-W222 HydrophobicContact CG-CD2 4.29Å; F174-W222 HydrophobicContact CG-CE3 4.39Å
175	G	98.4	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.1	175.4	0	0	0	0	0	111.9	M140 N185 G207 G209	M140-G175 WeakPolarHBondContact O-CA 3.37Å; G175-N185 WeakPolarHBondContact CA-OD1 3.21Å; G175-N185 PolarHBondContact O-OD1 3.37Å; G175-G207 WeakPolarHBondContact CA-O 3.49Å; G175-G207 PolarHBondContact N-O 3.33Å; G175-G209 PolarHBondContact O-N 2.84Å
176	L	98.4	Very high	94.5	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.3	169.8	-52.8	79.4	0	0	0	108.5	T93 A94 F97 C139 M140 A141 T142 F174 N185 L215	T93-L176 HydrophobicContact CG2-CD2 3.63Å; A94-L176 HydrophobicContact CB-CD1 3.73Å; A94-L176 HydrophobicContact CB-CD2 3.83Å; A94-L176 HydrophobicContact CB-CG 4.47Å; F97-L176 HydrophobicContact CD2-CD1 4.49Å; F97-L176 HydrophobicContact CD2-CD2 3.6Å; F97-L176 HydrophobicContact CD2-CG 4.16Å; F97-L176 HydrophobicContact CE2-CD2 3.65Å; F97-L176 HydrophobicContact CE2-CG 4.22Å; C139-L176 HydrophobicContact CB-CD1 4.39Å; M140-L176 PolarHBondContact O-N 3.06Å; A141-L176 WeakPolarHBondContact CA-O 3.4Å; A141-L176 HydrophobicContact CB-CB 4.08Å; T142-L176 PolarHBondContact N-O 3.19Å; F174-L176 HydrophobicContact CD1-CD1 3.94Å; F174-L176 HydrophobicContact CD1-CG 4.15Å; F174-L176 HydrophobicContact CE1-CD1 4.33Å; F174-L176 HydrophobicContact CE1-CG 4.02Å; L176-N185 PolarHBondContact N-OD1 3.06Å; L176-L215 HydrophobicContact CB-CD1 4.24Å; L176-L215 HydrophobicContact CB-CD2 4.32Å; L176-L215 HydrophobicContact CD2-CD2 4.11Å; L176-L215 HydrophobicContact CG-CD1 4.31Å
177	G	95.6	Very high	94.5	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-174.1	-179	0	0	0	0	0	111.9	N185 G209 D210 D211	G177-N185 PolarHBondContact N-ND2 2.96Å; G177-N185 PolarHBondContact N-OD1 2.87Å; G177-G209 PolarHBondContact N-O 3.26Å; G177-D210 WeakPolarHBondContact O-CA 3.2Å; G177-D211 PolarHBondContact O-N 2.94Å
178	N	91.5	Very high	94.6	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.102	16%	0.156	C	C	.	.			trans	-144.9	124.4	177.3	-178.5	-41.7	0	0	0	109	T180 Y181 D210 D211	N178-T180 PolarHBondContact O-N 3.33Å; N178-T180 VanDerWaalsContact OD1-CB 3.32Å; N178-T180 WeakPolarHBondContact OD1-CB 3.38Å; N178-T180 WeakPolarHBondContact OD1-CG2 3.35Å; N178-T180 PolarHBondContact OD1-N 3.26Å; N178-T180 PolarHBondContact OD1-OG1 2.85Å; N178-Y181 HydrophobicContact CB-CD2 3.81Å; N178-Y181 HydrophobicContact CB-CE2 4.14Å; N178-Y181 PolarHBondContact O-N 3.09Å; N178-D210 WeakPolarHBondContact CA-OD1 3.34Å; N178-D211 HydrophobicContact CB-CB 4.18Å
179	K	89.5	Confident	94.7	Very high	129 Å²	129	31.4 Å²	31.4	56%	0.561	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.2	-175.7	-75.1	-173.2	-165.5	112.7	0	114.7	Y181 F184 D210	K179-Y181 PolarHBondContact O-N 3.28Å; K179-F184 HydrophobicContact CB-CD2 4.47Å; K179-F184 HydrophobicContact CG-CD1 4.12Å; K179-F184 HydrophobicContact CG-CD2 3.78Å; K179-F184 HydrophobicContact CG-CE1 4.13Å; K179-F184 HydrophobicContact CG-CE2 3.76Å; K179-F184 HydrophobicContact CG-CG 3.95Å; K179-F184 HydrophobicContact CG-CZ 3.95Å; K179-D210 WeakPolarHBondContact CD-OD2 3.38Å; K179-D210 VanDerWaalsContact CE-OD2 3.31Å; K179-D210 WeakPolarHBondContact CE-OD2 3.37Å; K179-D210 VanDerWaalsContact CG-OD2 3.24Å; K179-D210 WeakPolarHBondContact CG-OD2 3.45Å; K179-D210 PolarHBondContact N-OD1 2.9Å; K179-D210 IonicContact NZ-OD2 3.69Å; K179-D210 PolarHBondContact NZ-OD2 3.48Å
180	T	82.7	Confident	94.7	Very high	44 Å²	44	34 Å²	34	27%	0.27	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.3	173.8	64.8	0	0	0	0	112.6	N178 D212	N178-T180 PolarHBondContact O-N 3.33Å; N178-T180 VanDerWaalsContact OD1-CB 3.32Å; N178-T180 WeakPolarHBondContact OD1-CB 3.38Å; N178-T180 WeakPolarHBondContact OD1-CG2 3.35Å; N178-T180 PolarHBondContact OD1-N 3.26Å; N178-T180 PolarHBondContact OD1-OG1 2.85Å; T180-D212 HydrophobicContact CG2-CB 3.99Å
181	Y	84.1	Confident	94.7	Very high	84 Å²	84	31.7 Å²	31.7	33%	0.329	15%	0.15	S	C	.	.	S	Bend	trans	-90.6	148.6	175.4	-68.2	-101.6	0	0	0	111.3	N178 K179 H183 V678	N178-Y181 HydrophobicContact CB-CD2 3.81Å; N178-Y181 HydrophobicContact CB-CE2 4.14Å; N178-Y181 PolarHBondContact O-N 3.09Å; K179-Y181 PolarHBondContact O-N 3.28Å; Y181-H183 VanDerWaalsContact C-N 3.3Å; Y181-H183 PolarHBondContact O-N 2.88Å; Y181-V678 HydrophobicContact CE1-CG2 4.46Å
182	E	83.8	Confident	94.7	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.332	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42.4	-179.6	-177.6	65.6	-153.3	0	0	112	F184 K666	E182-F184 PolarHBondContact O-N 3.3Å; E182-K666 WeakPolarHBondContact OE1-CE 3.33Å; E182-K666 IonicContact OE1-NZ 2.75Å; E182-K666 PolarHBondContact OE1-NZ 3.37Å
183	H	89.1	Confident	94.7	Very high	91 Å²	91	38.5 Å²	38.5	42%	0.421	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	57.2	-173.7	-65.5	-58.9	0	0	0	112.4	E145 G146 Y181 N185 A186	E145-H183 PolarHBondContact O-CD2 3.06Å; G146-H183 VanDerWaalsContact CA-CB 3.5Å; Y181-H183 VanDerWaalsContact C-N 3.3Å; Y181-H183 PolarHBondContact O-N 2.88Å; H183-N185 PolarHBondContact O-N 2.85Å; H183-N185 VanDerWaalsContact O-N 3.15Å; H183-A186 HydrophobicContact CB-CB 4.02Å; H183-A186 PolarHBondContact O-N 2.83Å
184	F	94.9	Very high	94.7	Very high	34 Å²	34	40.4 Å²	40.4	15%	0.149	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	118.7	180	174.6	-121.3	0	0	0	112.6	K179 E182 A186 K189 L208 D210	K179-F184 HydrophobicContact CB-CD2 4.47Å; K179-F184 HydrophobicContact CG-CD1 4.12Å; K179-F184 HydrophobicContact CG-CD2 3.78Å; K179-F184 HydrophobicContact CG-CE1 4.13Å; K179-F184 HydrophobicContact CG-CE2 3.76Å; K179-F184 HydrophobicContact CG-CG 3.95Å; K179-F184 HydrophobicContact CG-CZ 3.95Å; E182-F184 PolarHBondContact O-N 3.3Å; F184-A186 PolarHBondContact O-N 3.44Å; F184-K189 WeakPolarHBondContact O-CE 3.33Å; F184-K189 PolarHBondContact O-NZ 3.02Å; F184-L208 HydrophobicContact CE1-CB 4.28Å; F184-L208 HydrophobicContact CZ-CB 4.27Å; F184-D210 HydrophobicContact CE2-CB 4.02Å; F184-D210 HydrophobicContact CZ-CB 4.15Å
185	N	96.9	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.2	177.2	-93	-59.4	0	0	0	114.6	G175 L176 G177 H183 M187 G188 K189 L208 G209	G175-N185 WeakPolarHBondContact CA-OD1 3.21Å; G175-N185 PolarHBondContact O-OD1 3.37Å; L176-N185 PolarHBondContact N-OD1 3.06Å; G177-N185 PolarHBondContact N-ND2 2.96Å; G177-N185 PolarHBondContact N-OD1 2.87Å; H183-N185 PolarHBondContact O-N 2.85Å; H183-N185 VanDerWaalsContact O-N 3.15Å; N185-M187 VanDerWaalsContact C-N 3.31Å; N185-M187 PolarHBondContact O-N 3.3Å; N185-G188 PolarHBondContact O-N 3.02Å; N185-K189 HydrophobicContact CB-CD 4.45Å; N185-K189 HydrophobicContact CB-CG 4.48Å; N185-K189 WeakPolarHBondContact O-CB 3.23Å; N185-K189 VanDerWaalsContact O-CG 3.28Å; N185-K189 WeakPolarHBondContact O-CG 3.28Å; N185-K189 PolarHBondContact O-N 3.46Å; N185-L208 HydrophobicContact CB-CD2 3.8Å; N185-G209 PolarHBondContact ND2-O 3.5Å
186	A	97.6	Very high	94.6	Very high	28 Å²	28	45.1 Å²	45.1	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-43.8	-175.8	0	0	0	0	0	113.2	T142 G146 H183 F184 Y190	T142-A186 HydrophobicContact CG2-CB 4.01Å; T142-A186 PolarHBondContact OG1-N 2.93Å; G146-A186 WeakPolarHBondContact O-CB 3.29Å; H183-A186 HydrophobicContact CB-CB 4.02Å; H183-A186 PolarHBondContact O-N 2.83Å; F184-A186 PolarHBondContact O-N 3.44Å; A186-Y190 VanDerWaalsContact O-CB 3.23Å; A186-Y190 WeakPolarHBondContact O-CB 3.45Å; A186-Y190 PolarHBondContact O-N 3.18Å
187	M	98.3	Very high	94.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-67.7	-47.2	-179	-173.3	55.4	-177.1	0	0	112.2	M140 T142 P148 F155 Y156 N185 K189 Y190 V191	M140-M187 HydrophobicContact CB-CG 4.07Å; M140-M187 HydrophobicContact CE-CE 3.66Å; M140-M187 HydrophobicContact CE-CG 4.22Å; T142-M187 PolarHBondContact OG1-N 2.95Å; P148-M187 HydrophobicContact CB-CE 3.99Å; P148-M187 HydrophobicContact CB-CG 4.32Å; P148-M187 HydrophobicContact CB-SD 3.83Å; F155-M187 HydrophobicContact CD1-CE 4.2Å; Y156-M187 HydrophobicContact CD2-CE 3.96Å; Y156-M187 HydrophobicContact CD2-SD 3.61Å; Y156-M187 HydrophobicContact CE2-SD 4.28Å; Y156-M187 HydrophobicContact CG-CE 4.41Å; Y156-M187 HydrophobicContact CG-SD 4.42Å; N185-M187 VanDerWaalsContact C-N 3.31Å; N185-M187 PolarHBondContact O-N 3.3Å; M187-K189 PolarHBondContact O-N 3.39Å; M187-Y190 PolarHBondContact O-N 2.91Å; M187-Y190 HydrophobicContact SD-CD1 4.42Å; M187-V191 HydrophobicContact CE-CG2 3.48Å; M187-V191 VanDerWaalsContact CE-CG2 3.48Å; M187-V191 HydrophobicContact CG-CG2 4.43Å; M187-V191 WeakPolarHBondContact O-CG2 3.3Å; M187-V191 PolarHBondContact O-N 3.46Å; M187-V191 HydrophobicContact SD-CG2 4.05Å
188	G	98.2	Very high	94.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-44.4	177.1	0	0	0	0	0	112.3	N185 Y190 D192	N185-G188 PolarHBondContact O-N 3.02Å; G188-Y190 VanDerWaalsContact C-N 3.34Å; G188-Y190 PolarHBondContact O-N 2.86Å; G188-D192 VanDerWaalsContact O-CB 3.3Å; G188-D192 WeakPolarHBondContact O-CB 3.4Å; G188-D192 PolarHBondContact O-N 3Å
189	K	98.6	Very high	95	Very high	88 Å²	88	51 Å²	51	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-39.9	175	-70.7	168.9	179.2	171.4	0	112.5	F184 N185 M187 K193 L206 L208	F184-K189 WeakPolarHBondContact O-CE 3.33Å; F184-K189 PolarHBondContact O-NZ 3.02Å; N185-K189 HydrophobicContact CB-CD 4.45Å; N185-K189 HydrophobicContact CB-CG 4.48Å; N185-K189 WeakPolarHBondContact O-CB 3.23Å; N185-K189 VanDerWaalsContact O-CG 3.28Å; N185-K189 WeakPolarHBondContact O-CG 3.28Å; N185-K189 PolarHBondContact O-N 3.46Å; M187-K189 PolarHBondContact O-N 3.39Å; K189-K193 VanDerWaalsContact O-CB 3.24Å; K189-K193 WeakPolarHBondContact O-CB 3.16Å; K189-K193 PolarHBondContact O-N 2.97Å; K189-K193 VanDerWaalsContact O-N 3.13Å; K189-L206 HydrophobicContact CB-CD2 4.38Å; K189-L206 HydrophobicContact CG-CD2 3.86Å; K189-L208 HydrophobicContact CG-CD2 4.15Å
190	Y	98.4	Very high	95.4	Very high	58 Å²	58	45.2 Å²	45.2	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-50.1	180	177	-103.3	0	0	0	111.6	Y156 L159 Q160 A186 M187 G188 D192 K193 R194	Y156-Y190 AromaticContact CD2-CD1 3.6Å; Y156-Y190 HydrophobicContact CD2-CD1 3.6Å; Y156-Y190 AromaticContact CD2-CE1 3.56Å; Y156-Y190 HydrophobicContact CD2-CE1 3.56Å; Y156-Y190 AromaticContact CE2-CD1 3.51Å; Y156-Y190 HydrophobicContact CE2-CD1 3.51Å; Y156-Y190 AromaticContact CE2-CE1 3.54Å; Y156-Y190 HydrophobicContact CE2-CE1 3.54Å; Y156-Y190 HydrophobicContact CE2-CG 4.07Å; L159-Y190 HydrophobicContact CB-CE1 3.8Å; L159-Y190 HydrophobicContact CD1-CD1 4.36Å; L159-Y190 HydrophobicContact CD1-CE1 3.99Å; L159-Y190 PolarHBondContact O-OH 3.48Å; Q160-Y190 WeakPolarHBondContact CA-OH 3.25Å; Q160-Y190 WeakPolarHBondContact CG-OH 3.28Å; Q160-Y190 PolarHBondContact N-OH 3.47Å; A186-Y190 VanDerWaalsContact O-CB 3.23Å; A186-Y190 WeakPolarHBondContact O-CB 3.45Å; A186-Y190 PolarHBondContact O-N 3.18Å; M187-Y190 PolarHBondContact O-N 2.91Å; M187-Y190 HydrophobicContact SD-CD1 4.42Å; G188-Y190 VanDerWaalsContact C-N 3.34Å; G188-Y190 PolarHBondContact O-N 2.86Å; Y190-D192 PolarHBondContact O-N 2.9Å; Y190-K193 PolarHBondContact O-N 3.32Å; Y190-R194 VanDerWaalsContact O-CB 3.26Å; Y190-R194 WeakPolarHBondContact O-CB 3.17Å; Y190-R194 PolarHBondContact O-N 2.87Å
191	V	98.6	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-49.3	179	172.9	0	0	0	0	110.8	F138 M140 F155 L159 V173 M187 K193 R194 L195	F138-V191 HydrophobicContact CB-CG1 4.27Å; F138-V191 HydrophobicContact CD1-CG1 4.42Å; F138-V191 HydrophobicContact CD2-CG1 4.23Å; F138-V191 HydrophobicContact CG-CG1 4.06Å; M140-V191 HydrophobicContact CE-CG2 4.39Å; M140-V191 HydrophobicContact CG-CG2 4.26Å; F155-V191 HydrophobicContact CE1-CG1 4.05Å; F155-V191 HydrophobicContact CE1-CG2 3.79Å; F155-V191 HydrophobicContact CZ-CG1 4.11Å; F155-V191 HydrophobicContact CZ-CG2 4.43Å; L159-V191 HydrophobicContact CD1-CB 4.49Å; L159-V191 HydrophobicContact CD1-CG2 3.92Å; V173-V191 HydrophobicContact CG2-CG1 4.14Å; M187-V191 HydrophobicContact CE-CG2 3.48Å; M187-V191 VanDerWaalsContact CE-CG2 3.48Å; M187-V191 HydrophobicContact CG-CG2 4.43Å; M187-V191 WeakPolarHBondContact O-CG2 3.3Å; M187-V191 PolarHBondContact O-N 3.46Å; M187-V191 HydrophobicContact SD-CG2 4.05Å; V191-K193 PolarHBondContact O-N 3.08Å; V191-R194 PolarHBondContact O-N 3.24Å; V191-L195 HydrophobicContact CG1-CD1 3.65Å; V191-L195 HydrophobicContact CG1-CG 4.25Å; V191-L195 WeakPolarHBondContact O-CB 3.49Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.41Å; V191-L195 PolarHBondContact O-N 3.32Å
192	D	98.8	Very high	96.8	Very high	16 Å²	16	47.3 Å²	47.3	9%	0.086	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-48.3	179.5	177.1	81.3	0	0	0	112.3	F171 V173 G188 Y190 E196 R202 L206	F171-D192 WeakPolarHBondContact CZ-O 3.36Å; V173-D192 HydrophobicContact CB-CB 4.11Å; V173-D192 HydrophobicContact CG1-CB 4.48Å; V173-D192 HydrophobicContact CG2-CB 3.91Å; G188-D192 VanDerWaalsContact O-CB 3.3Å; G188-D192 WeakPolarHBondContact O-CB 3.4Å; G188-D192 PolarHBondContact O-N 3Å; Y190-D192 PolarHBondContact O-N 2.9Å; D192-E196 PolarHBondContact O-N 2.78Å; D192-R202 PolarHBondContact O-NH2 2.67Å; D192-R202 IonicContact OD1-CZ 3.31Å; D192-R202 IonicContact OD1-NE 3.8Å; D192-R202 PolarHBondContact OD1-NE 2.95Å; D192-R202 IonicContact OD1-NH2 3.98Å; D192-R202 IonicContact OD2-CZ 3.77Å; D192-R202 IonicContact OD2-NE 3.97Å; D192-R202 PolarHBondContact OD2-NE 3.29Å; D192-R202 IonicContact OD2-NH2 2.63Å; D192-R202 PolarHBondContact OD2-NH2 3.47Å; D192-L206 HydrophobicContact CB-CB 4.41Å; D192-L206 HydrophobicContact CB-CD1 4.07Å; D192-L206 HydrophobicContact CB-CD2 4.14Å; D192-L206 HydrophobicContact CB-CG 4.43Å
193	K	98.4	Very high	97.5	Very high	126 Å²	126	45 Å²	45	55%	0.548	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-43.8	177.5	-179.2	-176.8	175.7	-174.2	0	112	K189 Y190 V191 Q197	K189-K193 VanDerWaalsContact O-CB 3.24Å; K189-K193 WeakPolarHBondContact O-CB 3.16Å; K189-K193 PolarHBondContact O-N 2.97Å; K189-K193 VanDerWaalsContact O-N 3.13Å; Y190-K193 PolarHBondContact O-N 3.32Å; V191-K193 PolarHBondContact O-N 3.08Å; K193-Q197 VanDerWaalsContact CE-NE2 3.35Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.19Å; K193-Q197 PolarHBondContact O-N 2.87Å; K193-Q197 VanDerWaalsContact O-N 3.13Å
194	R	98.3	Very high	97.9	Very high	40 Å²	40	41.9 Å²	41.9	15%	0.151	20%	0.202	C	C	.	.	H	α-helix	trans	-73.1	-37.4	-172.7	-172	58	175.9	151.7	3.4	112	L159 T162 D163 Y190 V191 E196 Q197 L198	L159-R194 HydrophobicContact CB-CG 4.04Å; L159-R194 HydrophobicContact CD2-CB 4.27Å; L159-R194 HydrophobicContact CD2-CG 3.75Å; L159-R194 HydrophobicContact CG-CG 4.37Å; L159-R194 PolarHBondContact O-NE 3.49Å; T162-R194 PolarHBondContact O-NH2 2.67Å; D163-R194 IonicContact OD1-NH2 2.83Å; Y190-R194 VanDerWaalsContact O-CB 3.26Å; Y190-R194 WeakPolarHBondContact O-CB 3.17Å; Y190-R194 PolarHBondContact O-N 2.87Å; V191-R194 PolarHBondContact O-N 3.24Å; R194-E196 PolarHBondContact O-N 2.89Å; R194-Q197 WeakPolarHBondContact O-CB 3.38Å; R194-Q197 PolarHBondContact O-N 3.2Å; R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.14Å; R194-L198 PolarHBondContact O-N 3.3Å
195	L	98.3	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-43.5	175.1	-71.4	170.8	0	0	0	111.9	L125 F138 L159 L166 F171 V191 Q197 L198 G199 A200	L125-L195 HydrophobicContact CD1-CD2 4.36Å; F138-L195 HydrophobicContact CD2-CD1 3.73Å; F138-L195 HydrophobicContact CE2-CD1 3.43Å; F138-L195 VanDerWaalsContact CE2-CD1 3.43Å; F138-L195 HydrophobicContact CZ-CD1 4.23Å; L159-L195 HydrophobicContact CD2-CD2 4.43Å; L166-L195 HydrophobicContact CD1-CD2 3.78Å; F171-L195 HydrophobicContact CB-CD1 4.28Å; F171-L195 HydrophobicContact CD1-CB 4.06Å; F171-L195 HydrophobicContact CD2-CB 4.19Å; F171-L195 HydrophobicContact CD2-CD1 3.55Å; F171-L195 HydrophobicContact CE1-CB 3.81Å; F171-L195 HydrophobicContact CE2-CB 3.98Å; F171-L195 HydrophobicContact CE2-CD1 3.97Å; F171-L195 HydrophobicContact CG-CB 4.23Å; F171-L195 HydrophobicContact CG-CD1 3.86Å; F171-L195 HydrophobicContact CZ-CB 3.77Å; V191-L195 HydrophobicContact CG1-CD1 3.65Å; V191-L195 HydrophobicContact CG1-CG 4.25Å; V191-L195 WeakPolarHBondContact O-CB 3.49Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.41Å; V191-L195 PolarHBondContact O-N 3.32Å; L195-Q197 PolarHBondContact O-N 2.88Å; L195-L198 PolarHBondContact O-N 2.69Å; L195-G199 PolarHBondContact O-N 2.94Å; L195-A200 HydrophobicContact CB-CB 4.3Å; L195-A200 VanDerWaalsContact O-CB 3.31Å; L195-A200 WeakPolarHBondContact O-CB 3.5Å; L195-A200 PolarHBondContact O-N 3.25Å; L195-A200 VanDerWaalsContact O-N 3.1Å
196	E	97.9	Very high	98	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-40	174.8	-178.7	173.3	-133.9	0	0	112.2	F171 D192 R194 L198 G199 R202	F171-E196 HydrophobicContact CZ-CB 4.35Å; D192-E196 PolarHBondContact O-N 2.78Å; R194-E196 PolarHBondContact O-N 2.89Å; E196-L198 PolarHBondContact O-N 3.09Å; E196-G199 PolarHBondContact O-N 2.82Å; E196-G199 VanDerWaalsContact O-N 3.07Å; E196-R202 IonicContact OE1-CZ 3.32Å; E196-R202 IonicContact OE1-NH1 2.75Å; E196-R202 PolarHBondContact OE1-NH1 2.91Å; E196-R202 IonicContact OE1-NH2 2.91Å; E196-R202 IonicContact OE2-CZ 3.99Å; E196-R202 IonicContact OE2-NH1 2.77Å; E196-R202 PolarHBondContact OE2-NH1 2.98Å; E196-R202 VanDerWaalsContact OE2-NH1 3.08Å; E196-R202 IonicContact OE2-NH2 3.89Å; E196-R202 PolarHBondContact OE2-NH2 3.27Å
197	Q	97.8	Very high	98	Very high	113 Å²	113	46.8 Å²	46.8	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-29.6	175.4	-74	177.3	-15	0	0	113.5	K193 R194 L195 G199	K193-Q197 VanDerWaalsContact CE-NE2 3.35Å; K193-Q197 VanDerWaalsContact O-CG 3.29Å; K193-Q197 WeakPolarHBondContact O-CG 3.19Å; K193-Q197 PolarHBondContact O-N 2.87Å; K193-Q197 VanDerWaalsContact O-N 3.13Å; R194-Q197 WeakPolarHBondContact O-CB 3.38Å; R194-Q197 PolarHBondContact O-N 3.2Å; L195-Q197 PolarHBondContact O-N 2.88Å; Q197-G199 VanDerWaalsContact C-N 3.26Å
198	L	97.6	Very high	98	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.8	176.7	-65.6	171.1	0	0	0	112.6	L159 T162 V164 L166 R194 L195 E196	L159-L198 HydrophobicContact CD2-CD1 4.04Å; T162-L198 HydrophobicContact CG2-CD1 3.79Å; T162-L198 HydrophobicContact CG2-CD2 4.25Å; V164-L198 WeakPolarHBondContact O-CD2 3.14Å; L166-L198 HydrophobicContact CB-CB 4.31Å; L166-L198 HydrophobicContact CD1-CB 3.91Å; L166-L198 HydrophobicContact CD1-CD1 3.96Å; L166-L198 HydrophobicContact CG-CB 4Å; L166-L198 PolarHBondContact N-O 3.03Å; R194-L198 HydrophobicContact CG-CD1 4.26Å; R194-L198 WeakPolarHBondContact O-CG 3.14Å; R194-L198 PolarHBondContact O-N 3.3Å; L195-L198 PolarHBondContact O-N 2.69Å; E196-L198 PolarHBondContact O-N 3.09Å
199	G	97.7	Very high	98	Very high	36 Å²	36	50.5 Å²	50.5	37%	0.371	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	0.1	175.1	0	0	0	0	0	115.5	L195 E196 Q197	L195-G199 PolarHBondContact O-N 2.94Å; E196-G199 PolarHBondContact O-N 2.82Å; E196-G199 VanDerWaalsContact O-N 3.07Å; Q197-G199 VanDerWaalsContact C-N 3.26Å
200	A	98.1	Very high	97.8	Very high	6 Å²	6	46.8 Å²	46.8	5%	0.05	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-71.1	148	176.2	0	0	0	0	0	111.6	L166 V169 F171 L195	L166-A200 HydrophobicContact CB-CB 4.01Å; L166-A200 WeakPolarHBondContact O-CA 3.48Å; V169-A200 HydrophobicContact CB-CB 3.96Å; V169-A200 HydrophobicContact CG1-CB 4.14Å; V169-A200 CarbonylContact O-C 3.54Å; V169-A200 WeakPolarHBondContact O-CA 3.13Å; F171-A200 HydrophobicContact CD1-CB 3.59Å; F171-A200 HydrophobicContact CE1-CB 3.88Å; L195-A200 HydrophobicContact CB-CB 4.3Å; L195-A200 VanDerWaalsContact O-CB 3.31Å; L195-A200 WeakPolarHBondContact O-CB 3.5Å; L195-A200 PolarHBondContact O-N 3.25Å; L195-A200 VanDerWaalsContact O-N 3.1Å
201	Q	98.1	Very high	97.4	Very high	104 Å²	104	49 Å²	49	49%	0.486	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	178.7	-176.2	179.5	-0.7	0	0	111.1	V169 K170 F171 I203	V169-Q201 PolarHBondContact O-N 2.83Å; K170-Q201 WeakPolarHBondContact CA-O 3.35Å; F171-Q201 WeakPolarHBondContact CD1-O 3.38Å; F171-Q201 PolarHBondContact N-O 2.92Å; Q201-I203 HydrophobicContact CG-CD1 4.3Å; Q201-I203 PolarHBondContact O-N 3.08Å
202	R	98.3	Very high	96.9	Very high	68 Å²	68	52.1 Å²	52.1	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.2	171.3	-171.3	-176.4	-63.3	96.5	-1.8	110.4	F171 D192 E196 F204	F171-R202 HydrophobicContact CE1-CB 3.93Å; F171-R202 HydrophobicContact CE2-CB 4.41Å; F171-R202 HydrophobicContact CE2-CG 4.33Å; F171-R202 HydrophobicContact CZ-CB 3.8Å; F171-R202 HydrophobicContact CZ-CG 4.18Å; D192-R202 PolarHBondContact O-NH2 2.67Å; D192-R202 IonicContact OD1-CZ 3.31Å; D192-R202 IonicContact OD1-NE 3.8Å; D192-R202 PolarHBondContact OD1-NE 2.95Å; D192-R202 IonicContact OD1-NH2 3.98Å; D192-R202 IonicContact OD2-CZ 3.77Å; D192-R202 IonicContact OD2-NE 3.97Å; D192-R202 PolarHBondContact OD2-NE 3.29Å; D192-R202 IonicContact OD2-NH2 2.63Å; D192-R202 PolarHBondContact OD2-NH2 3.47Å; E196-R202 IonicContact OE1-CZ 3.32Å; E196-R202 IonicContact OE1-NH1 2.75Å; E196-R202 PolarHBondContact OE1-NH1 2.91Å; E196-R202 IonicContact OE1-NH2 2.91Å; E196-R202 IonicContact OE2-CZ 3.99Å; E196-R202 IonicContact OE2-NH1 2.77Å; E196-R202 PolarHBondContact OE2-NH1 2.98Å; E196-R202 VanDerWaalsContact OE2-NH1 3.08Å; E196-R202 IonicContact OE2-NH2 3.89Å; E196-R202 PolarHBondContact OE2-NH2 3.27Å; R202-F204 WeakPolarHBondContact CD-O 3.23Å; R202-F204 WeakPolarHBondContact CG-O 3.31Å
203	I	97.2	Very high	96.3	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.118	28%	0.284	C	S	.	.			trans	-93.5	-34.1	179.9	-60.6	-52.9	0	0	0	112.4	L135 K170 F171 Q201 H233	L135-I203 HydrophobicContact CD1-CB 4.35Å; L135-I203 HydrophobicContact CD1-CG1 3.97Å; K170-I203 HydrophobicContact CB-CD1 3.91Å; K170-I203 HydrophobicContact CB-CG1 3.72Å; K170-I203 HydrophobicContact CD-CD1 4.14Å; K170-I203 HydrophobicContact CG-CD1 3.98Å; K170-I203 HydrophobicContact CG-CG1 4.36Å; F171-I203 PolarHBondContact O-N 3.38Å; Q201-I203 HydrophobicContact CG-CD1 4.3Å; Q201-I203 PolarHBondContact O-N 3.08Å; I203-H233 HydrophobicContact CG2-CB 4.34Å
204	F	97.7	Very high	95.6	Very high	25 Å²	25	49.9 Å²	49.9	11%	0.11	27%	0.267	C	S	.	.	S	Bend	trans	-141.3	154.2	179.2	-169.3	-116.4	0	0	0	110.4	A172 R202 W222 Q225 F226 A229	A172-F204 HydrophobicContact CB-CB 4.31Å; R202-F204 WeakPolarHBondContact CD-O 3.23Å; R202-F204 WeakPolarHBondContact CG-O 3.31Å; F204-W222 HydrophobicContact CD1-CD2 4.29Å; F204-W222 AromaticContact CD1-CE2 3.57Å; F204-W222 AromaticContact CD1-CZ2 3.81Å; F204-W222 HydrophobicContact CD1-CZ2 3.81Å; F204-W222 AromaticContact CD1-NE1 3.4Å; F204-W222 AromaticContact CE1-CD1 3.51Å; F204-W222 HydrophobicContact CE1-CD2 4.11Å; F204-W222 AromaticContact CE1-CE2 3.78Å; F204-W222 AromaticContact CE1-CG 3.98Å; F204-W222 HydrophobicContact CE1-CG 3.98Å; F204-W222 HydrophobicContact CE1-CZ2 4.45Å; F204-W222 AromaticContact CE1-NE1 3.38Å; F204-Q225 HydrophobicContact CE1-CB 4.32Å; F204-Q225 HydrophobicContact CE2-CB 3.94Å; F204-Q225 HydrophobicContact CZ-CB 3.42Å; F204-Q225 VanDerWaalsContact CZ-CB 3.42Å; F204-F226 HydrophobicContact CB-CD2 3.91Å; F204-F226 HydrophobicContact CD1-CB 3.75Å; F204-F226 AromaticContact CD1-CD2 3.96Å; F204-F226 HydrophobicContact CD1-CD2 3.96Å; F204-F226 HydrophobicContact CD1-CG 4.37Å; F204-F226 HydrophobicContact CE1-CB 3.92Å; F204-F226 HydrophobicContact CG-CB 4.32Å; F204-F226 HydrophobicContact CG-CD2 4.13Å; F204-A229 HydrophobicContact CD2-CB 3.64Å; F204-A229 HydrophobicContact CE2-CB 4.26Å; F204-A229 HydrophobicContact CG-CB 4.43Å
205	E	96.3	Very high	95.2	Very high	122 Å²	122	48.5 Å²	48.5	57%	0.57	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-62.1	152.3	-176	63.5	175.7	-172.2	0	0	113	G207 W222	E205-G207 PolarHBondContact O-N 2.97Å; E205-W222 PolarHBondContact O-NE1 2.9Å
206	L	98.4	Very high	94.5	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.204	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.8	118.7	175.1	170	62	0	0	0	110.2	V173 K189 D192 L208	V173-L206 HydrophobicContact CB-CD1 3.83Å; V173-L206 HydrophobicContact CG1-CD1 3.7Å; V173-L206 WeakPolarHBondContact O-CA 3.28Å; K189-L206 HydrophobicContact CB-CD2 4.38Å; K189-L206 HydrophobicContact CG-CD2 3.86Å; D192-L206 HydrophobicContact CB-CB 4.41Å; D192-L206 HydrophobicContact CB-CD1 4.07Å; D192-L206 HydrophobicContact CB-CD2 4.14Å; D192-L206 HydrophobicContact CB-CG 4.43Å; L206-L208 HydrophobicContact CD2-CD2 3.85Å; L206-L208 HydrophobicContact CG-CD2 3.95Å; L206-L208 HydrophobicContact CG-CG 4.39Å
207	G	98	Very high	93.8	Very high	5 Å²	5	44.2 Å²	44.2	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	136.2	170	0	0	0	0	0	111.7	V173 G175 E205	V173-G207 PolarHBondContact O-N 2.84Å; G175-G207 WeakPolarHBondContact CA-O 3.49Å; G175-G207 PolarHBondContact N-O 3.33Å; E205-G207 PolarHBondContact O-N 2.97Å
208	L	98	Very high	93.6	Very high	78 Å²	78	41.6 Å²	41.6	41%	0.408	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	73.3	179.7	-65.1	178.5	0	0	0	110.5	F184 N185 K189 L206	F184-L208 HydrophobicContact CE1-CB 4.28Å; F184-L208 HydrophobicContact CZ-CB 4.27Å; N185-L208 HydrophobicContact CB-CD2 3.8Å; K189-L208 HydrophobicContact CG-CD2 4.15Å; L206-L208 HydrophobicContact CD2-CD2 3.85Å; L206-L208 HydrophobicContact CG-CD2 3.95Å; L206-L208 HydrophobicContact CG-CG 4.39Å
209	G	96.9	Very high	93.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.1	178.3	0	0	0	0	0	112.7	G175 G177 N185	G175-G209 PolarHBondContact O-N 2.84Å; G177-G209 PolarHBondContact N-O 3.26Å; N185-G209 PolarHBondContact ND2-O 3.5Å
210	D	94.6	Very high	92.9	Very high	11 Å²	11	39.3 Å²	39.3	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108.9	-175.1	-174.9	16.2	0	0	0	113	G177 N178 K179 F184 D212 G213 N214 L215 D218	G177-D210 WeakPolarHBondContact O-CA 3.2Å; N178-D210 WeakPolarHBondContact CA-OD1 3.34Å; K179-D210 WeakPolarHBondContact CD-OD2 3.38Å; K179-D210 VanDerWaalsContact CE-OD2 3.31Å; K179-D210 WeakPolarHBondContact CE-OD2 3.37Å; K179-D210 VanDerWaalsContact CG-OD2 3.24Å; K179-D210 WeakPolarHBondContact CG-OD2 3.45Å; K179-D210 PolarHBondContact N-OD1 2.9Å; K179-D210 IonicContact NZ-OD2 3.69Å; K179-D210 PolarHBondContact NZ-OD2 3.48Å; F184-D210 HydrophobicContact CE2-CB 4.02Å; F184-D210 HydrophobicContact CZ-CB 4.15Å; D210-D212 VanDerWaalsContact C-N 3.29Å; D210-D212 PolarHBondContact O-N 2.86Å; D210-D212 PolarHBondContact OD1-N 2.85Å; D210-G213 PolarHBondContact O-N 3.41Å; D210-G213 VanDerWaalsContact O-N 3.15Å; D210-N214 PolarHBondContact O-N 3.43Å; D210-L215 PolarHBondContact O-N 3.11Å; D210-D218 PolarHBondContact N-OD2 3.3Å
211	D	91.4	Very high	92.5	Very high	104 Å²	104	41.5 Å²	41.5	56%	0.556	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-7.7	-179	-152.6	39.2	0	0	0	114.1	G177 N178 G213 L215	G177-D211 PolarHBondContact O-N 2.94Å; N178-D211 HydrophobicContact CB-CB 4.18Å; D211-G213 VanDerWaalsContact C-N 3.32Å; D211-L215 HydrophobicContact CB-CB 4.4Å; D211-L215 HydrophobicContact CB-CD2 4.17Å
212	D	86.6	Confident	92.4	Very high	65 Å²	65	37.2 Å²	37.2	35%	0.348	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.5	166.8	-174.5	52.2	0	0	0	111.8	T180 D210 R636	T180-D212 HydrophobicContact CG2-CB 3.99Å; D210-D212 VanDerWaalsContact C-N 3.29Å; D210-D212 PolarHBondContact O-N 2.86Å; D210-D212 PolarHBondContact OD1-N 2.85Å; D212-R636 IonicContact OD1-CZ 3.31Å; D212-R636 IonicContact OD1-NE 3.25Å; D212-R636 IonicContact OD1-NH2 3.34Å
213	G	86.1	Confident	92.2	Very high	59 Å²	59	36 Å²	36	61%	0.608	20%	0.199	S	C	*	.	S	Bend	trans	-96.3	-105.3	174.9	0	0	0	0	0	111.6	D210 D211	D210-G213 PolarHBondContact O-N 3.41Å; D210-G213 VanDerWaalsContact O-N 3.15Å; D211-G213 VanDerWaalsContact C-N 3.32Å
214	N	83.9	Confident	91.8	Very high	37 Å²	37	38.8 Å²	38.8	20%	0.198	21%	0.212	C	C	.	.			trans	-146.3	97.6	172.1	-170.2	-31.5	0	0	0	110.6	D210 E216 E217 D218 L420	D210-N214 PolarHBondContact O-N 3.43Å; N214-E216 PolarHBondContact O-N 3.38Å; N214-E216 VanDerWaalsContact OD1-CB 3.31Å; N214-E216 WeakPolarHBondContact OD1-CB 3.46Å; N214-E216 PolarHBondContact OD1-N 3.5Å; N214-E217 HydrophobicContact CB-CB 4.22Å; N214-E217 HydrophobicContact CB-CG 4.08Å; N214-E217 PolarHBondContact O-N 3.06Å; N214-E217 VanDerWaalsContact O-N 3.14Å; N214-E217 PolarHBondContact OD1-N 3.02Å; N214-D218 PolarHBondContact O-N 3.48Å; N214-L420 WeakPolarHBondContact ND2-CD2 3.42Å
215	L	90.4	Very high	91.5	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-28.6	-179.3	-176.6	59.1	0	0	0	114	T93 F97 F174 L176 D210 D211 F219	T93-L215 HydrophobicContact CG2-CD2 3.89Å; F97-L215 HydrophobicContact CE2-CD1 4.38Å; F97-L215 HydrophobicContact CE2-CG 4.01Å; F97-L215 HydrophobicContact CZ-CG 4.23Å; F174-L215 HydrophobicContact CE1-CD1 4.36Å; L176-L215 HydrophobicContact CB-CD1 4.24Å; L176-L215 HydrophobicContact CB-CD2 4.32Å; L176-L215 HydrophobicContact CD2-CD2 4.11Å; L176-L215 HydrophobicContact CG-CD1 4.31Å; D210-L215 PolarHBondContact O-N 3.11Å; D211-L215 HydrophobicContact CB-CB 4.4Å; D211-L215 HydrophobicContact CB-CD2 4.17Å; L215-F219 WeakPolarHBondContact O-CB 3.17Å; L215-F219 PolarHBondContact O-N 2.77Å; L215-F219 VanDerWaalsContact O-N 3.13Å
216	E	83.6	Confident	91.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	20%	0.201	C	C	.	.	H	α-helix	trans	-67.6	-42.6	176.1	-178.1	63.2	-147.6	0	0	111	F97 R100 N214 F219 I220 R385 T386 Y419	F97-E216 WeakPolarHBondContact CE1-OE2 3.34Å; R100-E216 IonicContact CZ-OE1 3.79Å; R100-E216 VanDerWaalsContact NH1-CD 3.3Å; R100-E216 IonicContact NH1-OE1 2.81Å; R100-E216 PolarHBondContact NH1-OE1 3.48Å; R100-E216 IonicContact NH1-OE2 3.08Å; R100-E216 PolarHBondContact NH1-OE2 3.22Å; R100-E216 VanDerWaalsContact NH1-OE2 3.12Å; R100-E216 IonicContact NH2-OE1 3.87Å; R100-E216 PolarHBondContact NH2-OE1 2.9Å; N214-E216 PolarHBondContact O-N 3.38Å; N214-E216 VanDerWaalsContact OD1-CB 3.31Å; N214-E216 WeakPolarHBondContact OD1-CB 3.46Å; N214-E216 PolarHBondContact OD1-N 3.5Å; E216-F219 PolarHBondContact O-N 3.13Å; E216-I220 HydrophobicContact CG-CD1 4.01Å; E216-I220 VanDerWaalsContact O-CG1 3.24Å; E216-I220 WeakPolarHBondContact O-CG1 3.27Å; E216-I220 PolarHBondContact O-N 3.21Å; E216-R385 VanDerWaalsContact OE2-CD 3.32Å; E216-R385 WeakPolarHBondContact OE2-CD 3.49Å; E216-R385 IonicContact OE2-CZ 3Å; E216-R385 IonicContact OE2-NE 3.34Å; E216-R385 IonicContact OE2-NH1 2.67Å; E216-R385 PolarHBondContact OE2-NH1 2.91Å; E216-T386 HydrophobicContact CG-CG2 4.28Å; E216-T386 PolarHBondContact OE1-OG1 2.9Å; E216-T386 VanDerWaalsContact OE1-OG1 3.11Å; E216-Y419 HydrophobicContact CG-CE1 4.5Å
217	E	84.1	Confident	91.3	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.033	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-40.8	178.7	-70.3	-62.1	144	0	0	112.6	N214 F219 I220 T221 K416 L420	N214-E217 HydrophobicContact CB-CB 4.22Å; N214-E217 HydrophobicContact CB-CG 4.08Å; N214-E217 PolarHBondContact O-N 3.06Å; N214-E217 VanDerWaalsContact O-N 3.14Å; N214-E217 PolarHBondContact OD1-N 3.02Å; E217-F219 VanDerWaalsContact C-N 3.28Å; E217-F219 PolarHBondContact O-N 2.74Å; E217-I220 PolarHBondContact O-N 2.94Å; E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 2.93Å; E217-T221 PolarHBondContact O-OG1 3.47Å; E217-K416 WeakPolarHBondContact OE2-CD 3.4Å; E217-K416 WeakPolarHBondContact OE2-CE 3.47Å; E217-K416 IonicContact OE2-NZ 3.43Å; E217-K416 PolarHBondContact OE2-NZ 2.98Å; E217-L420 HydrophobicContact CG-CD2 4.2Å
218	D	92.8	Very high	90.9	Very high	59 Å²	59	38 Å²	38	32%	0.316	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-42.8	174.9	-67.6	-26.2	0	0	0	110.4	F174 D210 N214 W222	F174-D218 HydrophobicContact CZ-CB 4.45Å; D210-D218 PolarHBondContact N-OD2 3.3Å; N214-D218 PolarHBondContact O-N 3.48Å; D218-W222 WeakPolarHBondContact O-CB 3.48Å; D218-W222 PolarHBondContact O-N 3.22Å
219	F	94.4	Very high	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-44.8	176.9	177.1	-105.8	0	0	0	112.5	F97 R100 L101 F174 L215 E216 E217 T221 W222 R223	F97-F219 HydrophobicContact CB-CD2 3.99Å; F97-F219 HydrophobicContact CB-CE1 4.32Å; F97-F219 HydrophobicContact CB-CE2 3.59Å; F97-F219 HydrophobicContact CB-CG 4.5Å; F97-F219 HydrophobicContact CB-CZ 3.77Å; F97-F219 HydrophobicContact CD1-CB 4.41Å; F97-F219 AromaticContact CD1-CD1 3.53Å; F97-F219 HydrophobicContact CD1-CD1 3.53Å; F97-F219 HydrophobicContact CD1-CD2 4.09Å; F97-F219 AromaticContact CD1-CE1 3.71Å; F97-F219 HydrophobicContact CD1-CE1 3.71Å; F97-F219 HydrophobicContact CD1-CE2 4.25Å; F97-F219 AromaticContact CD1-CG 3.72Å; F97-F219 HydrophobicContact CD1-CG 3.72Å; F97-F219 HydrophobicContact CD1-CZ 4.06Å; F97-F219 HydrophobicContact CD2-CB 4.18Å; F97-F219 HydrophobicContact CD2-CD1 4.5Å; F97-F219 AromaticContact CD2-CD2 3.7Å; F97-F219 HydrophobicContact CD2-CD2 3.7Å; F97-F219 HydrophobicContact CD2-CE2 4.21Å; F97-F219 AromaticContact CD2-CG 3.85Å; F97-F219 HydrophobicContact CD2-CG 3.85Å; F97-F219 HydrophobicContact CE1-CB 3.98Å; F97-F219 AromaticContact CE1-CD1 3.64Å; F97-F219 HydrophobicContact CE1-CD1 3.64Å; F97-F219 HydrophobicContact CE1-CE1 4.27Å; F97-F219 AromaticContact CE1-CG 3.77Å; F97-F219 HydrophobicContact CE1-CG 3.77Å; F97-F219 HydrophobicContact CE2-CB 3.74Å; F97-F219 HydrophobicContact CE2-CD2 4.16Å; F97-F219 AromaticContact CE2-CG 3.91Å; F97-F219 HydrophobicContact CE2-CG 3.91Å; F97-F219 HydrophobicContact CG-CD1 4Å; F97-F219 AromaticContact CG-CD2 3.67Å; F97-F219 HydrophobicContact CG-CD2 3.67Å; F97-F219 HydrophobicContact CG-CE1 4.11Å; F97-F219 AromaticContact CG-CE2 3.79Å; F97-F219 HydrophobicContact CG-CE2 3.79Å; F97-F219 AromaticContact CG-CG 3.77Å; F97-F219 HydrophobicContact CG-CG 3.77Å; F97-F219 AromaticContact CG-CZ 3.99Å; F97-F219 HydrophobicContact CG-CZ 3.99Å; F97-F219 HydrophobicContact CZ-CB 3.62Å; F97-F219 HydrophobicContact CZ-CD1 4.19Å; F97-F219 AromaticContact CZ-CG 3.86Å; F97-F219 HydrophobicContact CZ-CG 3.86Å; R100-F219 HydrophobicContact CB-CE1 4.42Å; R100-F219 HydrophobicContact CB-CZ 4.47Å; R100-F219 VanDerWaalsContact CZ-CE1 3.43Å; L101-F219 HydrophobicContact CD1-CE2 4.14Å; L101-F219 HydrophobicContact CD1-CZ 4.42Å; L101-F219 HydrophobicContact CD2-CE2 4.28Å; L101-F219 HydrophobicContact CD2-CZ 4.01Å; L101-F219 HydrophobicContact CG-CE2 4.13Å; L101-F219 HydrophobicContact CG-CZ 3.91Å; F174-F219 AromaticContact CD1-CD2 3.91Å; F174-F219 HydrophobicContact CD1-CD2 3.91Å; F174-F219 HydrophobicContact CD2-CD2 4.38Å; F174-F219 HydrophobicContact CE1-CB 3.98Å; F174-F219 AromaticContact CE1-CD2 3.82Å; F174-F219 HydrophobicContact CE1-CD2 3.82Å; F174-F219 HydrophobicContact CE1-CG 4.37Å; F174-F219 HydrophobicContact CE2-CB 4.35Å; F174-F219 HydrophobicContact CE2-CD2 4.32Å; F174-F219 HydrophobicContact CG-CD2 4.2Å; F174-F219 VanDerWaalsContact CZ-CA 3.48Å; F174-F219 HydrophobicContact CZ-CB 3.69Å; F174-F219 HydrophobicContact CZ-CD2 4.04Å; F174-F219 HydrophobicContact CZ-CG 4.39Å; L215-F219 WeakPolarHBondContact O-CB 3.17Å; L215-F219 PolarHBondContact O-N 2.77Å; L215-F219 VanDerWaalsContact O-N 3.13Å; E216-F219 PolarHBondContact O-N 3.13Å; E217-F219 VanDerWaalsContact C-N 3.28Å; E217-F219 PolarHBondContact O-N 2.74Å; F219-T221 VanDerWaalsContact C-N 3.34Å; F219-T221 PolarHBondContact O-N 2.76Å; F219-W222 PolarHBondContact O-N 3.29Å; F219-R223 HydrophobicContact CZ-CB 4.47Å; F219-R223 WeakPolarHBondContact O-CB 3.39Å; F219-R223 PolarHBondContact O-N 2.78Å
220	I	86.5	Confident	90.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-47.6	177.4	-68.7	164.3	0	0	0	110.1	E216 E217 W222 R223 E224 T386	E216-I220 HydrophobicContact CG-CD1 4.01Å; E216-I220 VanDerWaalsContact O-CG1 3.24Å; E216-I220 WeakPolarHBondContact O-CG1 3.27Å; E216-I220 PolarHBondContact O-N 3.21Å; E217-I220 PolarHBondContact O-N 2.94Å; I220-W222 PolarHBondContact O-N 3.41Å; I220-R223 PolarHBondContact O-N 3.39Å; I220-E224 HydrophobicContact CG2-CG 4.4Å; I220-E224 WeakPolarHBondContact O-CG 3.33Å; I220-E224 PolarHBondContact O-N 3.26Å; I220-T386 HydrophobicContact CD1-CG2 3.75Å; I220-T386 WeakPolarHBondContact CD1-OG1 3.36Å
221	T	89.1	Confident	90	Very high	52 Å²	52	35.8 Å²	35.8	32%	0.319	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-46.2	-179.6	-56.7	0	0	0	0	111.2	E217 F219 Q225	E217-T221 WeakPolarHBondContact O-CB 3.46Å; E217-T221 PolarHBondContact O-N 2.93Å; E217-T221 PolarHBondContact O-OG1 3.47Å; F219-T221 VanDerWaalsContact C-N 3.34Å; F219-T221 PolarHBondContact O-N 2.76Å; T221-Q225 PolarHBondContact O-N 2.94Å
222	W	96.9	Very high	89.9	Confident	13 Å²	13	39 Å²	39	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-45.8	176.5	-178.1	90.1	0	0	0	111.5	L101 V137 A172 F174 F204 E205 D218 F219 I220 E224 Q225 F226	L101-W222 HydrophobicContact CD1-CH2 4.33Å; L101-W222 HydrophobicContact CD1-CZ3 3.81Å; L101-W222 HydrophobicContact CD2-CZ3 4.08Å; V137-W222 HydrophobicContact CG1-CH2 4.16Å; A172-W222 HydrophobicContact CB-CH2 4.47Å; A172-W222 HydrophobicContact CB-CZ2 4.23Å; F174-W222 HydrophobicContact CB-CD2 4.27Å; F174-W222 HydrophobicContact CB-CE3 4.32Å; F174-W222 HydrophobicContact CB-CH2 4.3Å; F174-W222 HydrophobicContact CB-CZ2 4.21Å; F174-W222 HydrophobicContact CB-CZ3 4.35Å; F174-W222 HydrophobicContact CD2-CB 3.82Å; F174-W222 AromaticContact CD2-CD1 3.92Å; F174-W222 AromaticContact CD2-CD2 3.54Å; F174-W222 HydrophobicContact CD2-CD2 3.54Å; F174-W222 AromaticContact CD2-CE3 3.96Å; F174-W222 HydrophobicContact CD2-CE3 3.96Å; F174-W222 AromaticContact CD2-CG 3.47Å; F174-W222 HydrophobicContact CD2-CG 3.47Å; F174-W222 VanDerWaalsContact CD2-CG 3.47Å; F174-W222 HydrophobicContact CE2-CB 3.7Å; F174-W222 HydrophobicContact CE2-CD2 4.34Å; F174-W222 AromaticContact CE2-CG 3.88Å; F174-W222 HydrophobicContact CE2-CG 3.88Å; F174-W222 HydrophobicContact CG-CD2 4.29Å; F174-W222 HydrophobicContact CG-CE3 4.39Å; F204-W222 HydrophobicContact CD1-CD2 4.29Å; F204-W222 AromaticContact CD1-CE2 3.57Å; F204-W222 AromaticContact CD1-CZ2 3.81Å; F204-W222 HydrophobicContact CD1-CZ2 3.81Å; F204-W222 AromaticContact CD1-NE1 3.4Å; F204-W222 AromaticContact CE1-CD1 3.51Å; F204-W222 HydrophobicContact CE1-CD2 4.11Å; F204-W222 AromaticContact CE1-CE2 3.78Å; F204-W222 AromaticContact CE1-CG 3.98Å; F204-W222 HydrophobicContact CE1-CG 3.98Å; F204-W222 HydrophobicContact CE1-CZ2 4.45Å; F204-W222 AromaticContact CE1-NE1 3.38Å; E205-W222 PolarHBondContact O-NE1 2.9Å; D218-W222 WeakPolarHBondContact O-CB 3.48Å; D218-W222 PolarHBondContact O-N 3.22Å; F219-W222 PolarHBondContact O-N 3.29Å; I220-W222 PolarHBondContact O-N 3.41Å; W222-E224 PolarHBondContact O-N 2.83Å; W222-Q225 PolarHBondContact O-N 3.45Å; W222-F226 HydrophobicContact CD2-CB 4.34Å; W222-F226 HydrophobicContact CE3-CB 4.03Å; W222-F226 HydrophobicContact CE3-CG 4.37Å; W222-F226 HydrophobicContact CH2-CB 4.09Å; W222-F226 HydrophobicContact CH2-CD1 4.24Å; W222-F226 AromaticContact CH2-CD2 3.5Å; W222-F226 HydrophobicContact CH2-CD2 3.5Å; W222-F226 VanDerWaalsContact CH2-CD2 3.5Å; W222-F226 AromaticContact CH2-CE2 3.95Å; W222-F226 HydrophobicContact CH2-CE2 3.95Å; W222-F226 AromaticContact CH2-CG 3.66Å; W222-F226 HydrophobicContact CH2-CG 3.66Å; W222-F226 HydrophobicContact CH2-CZ 4.49Å; W222-F226 HydrophobicContact CZ2-CB 4.42Å; W222-F226 AromaticContact CZ2-CD2 3.9Å; W222-F226 HydrophobicContact CZ2-CD2 3.9Å; W222-F226 HydrophobicContact CZ2-CG 4.28Å; W222-F226 HydrophobicContact CZ3-CB 3.88Å; W222-F226 HydrophobicContact CZ3-CD1 4.05Å; W222-F226 HydrophobicContact CZ3-CD2 4.06Å; W222-F226 AromaticContact CZ3-CG 3.71Å; W222-F226 HydrophobicContact CZ3-CG 3.71Å; W222-F226 VanDerWaalsContact O-CB 3.22Å; W222-F226 WeakPolarHBondContact O-CB 3.4Å; W222-F226 PolarHBondContact O-N 2.89Å
223	R	93.6	Very high	90.1	Very high	42 Å²	42	39.3 Å²	39.3	16%	0.158	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-41.1	-178.5	-177.3	-177.1	81.1	149.7	-3.8	112.8	L101 D104 F219 I220 Q225 F226 W227	L101-R223 HydrophobicContact CD2-CB 4.47Å; L101-R223 HydrophobicContact CD2-CG 3.79Å; D104-R223 IonicContact OD1-NH1 3.86Å; D104-R223 WeakPolarHBondContact OD2-CD 3.21Å; D104-R223 IonicContact OD2-CZ 2.72Å; D104-R223 IonicContact OD2-NE 2.7Å; D104-R223 IonicContact OD2-NH1 3.38Å; D104-R223 PolarHBondContact OD2-NH1 3.25Å; F219-R223 HydrophobicContact CZ-CB 4.47Å; F219-R223 WeakPolarHBondContact O-CB 3.39Å; F219-R223 PolarHBondContact O-N 2.78Å; I220-R223 PolarHBondContact O-N 3.39Å; R223-Q225 PolarHBondContact O-N 3.07Å; R223-F226 PolarHBondContact O-N 3.33Å; R223-W227 PolarHBondContact O-N 3.36Å
224	E	89	Confident	90.3	Very high	83 Å²	83	37.4 Å²	37.4	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-26.9	179.8	-78.1	-176.5	-179.4	0	0	113.3	I220 W222 P228 S411	I220-E224 HydrophobicContact CG2-CG 4.4Å; I220-E224 WeakPolarHBondContact O-CG 3.33Å; I220-E224 PolarHBondContact O-N 3.26Å; W222-E224 PolarHBondContact O-N 2.83Å; E224-P228 WeakPolarHBondContact O-CD 3.49Å; E224-P228 WeakPolarHBondContact O-CG 3.48Å; E224-S411 WeakPolarHBondContact OE1-CB 3.36Å; E224-S411 PolarHBondContact OE1-OG 3.5Å; E224-S411 WeakPolarHBondContact OE2-CB 3.38Å; E224-S411 PolarHBondContact OE2-OG 2.72Å
225	Q	90.8	Very high	90.6	Very high	95 Å²	95	39 Å²	39	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-92.2	-31.6	176.1	-63.5	177.4	32.6	0	0	112	F204 T221 W222 R223 P228 A229	F204-Q225 HydrophobicContact CE1-CB 4.32Å; F204-Q225 HydrophobicContact CE2-CB 3.94Å; F204-Q225 HydrophobicContact CZ-CB 3.42Å; F204-Q225 VanDerWaalsContact CZ-CB 3.42Å; T221-Q225 PolarHBondContact O-N 2.94Å; W222-Q225 PolarHBondContact O-N 3.45Å; R223-Q225 PolarHBondContact O-N 3.07Å; Q225-P228 WeakPolarHBondContact O-CD 3.33Å; Q225-A229 PolarHBondContact O-N 2.81Å
226	F	96.1	Very high	90.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-51.9	176.6	167.5	-104.6	0	0	0	112.2	L101 L135 V137 A172 F204 W222 R223 A229 V230	L101-F226 HydrophobicContact CD2-CD1 4.15Å; L101-F226 HydrophobicContact CD2-CE1 4.24Å; L135-F226 HydrophobicContact CD2-CE2 4.34Å; L135-F226 HydrophobicContact CD2-CZ 3.96Å; V137-F226 HydrophobicContact CG2-CE2 4.16Å; V137-F226 HydrophobicContact CG2-CZ 3.74Å; A172-F226 HydrophobicContact CB-CD2 4.23Å; A172-F226 HydrophobicContact CB-CE2 3.74Å; F204-F226 HydrophobicContact CB-CD2 3.91Å; F204-F226 HydrophobicContact CD1-CB 3.75Å; F204-F226 AromaticContact CD1-CD2 3.96Å; F204-F226 HydrophobicContact CD1-CD2 3.96Å; F204-F226 HydrophobicContact CD1-CG 4.37Å; F204-F226 HydrophobicContact CE1-CB 3.92Å; F204-F226 HydrophobicContact CG-CB 4.32Å; F204-F226 HydrophobicContact CG-CD2 4.13Å; W222-F226 HydrophobicContact CD2-CB 4.34Å; W222-F226 HydrophobicContact CE3-CB 4.03Å; W222-F226 HydrophobicContact CE3-CG 4.37Å; W222-F226 HydrophobicContact CH2-CB 4.09Å; W222-F226 HydrophobicContact CH2-CD1 4.24Å; W222-F226 AromaticContact CH2-CD2 3.5Å; W222-F226 HydrophobicContact CH2-CD2 3.5Å; W222-F226 VanDerWaalsContact CH2-CD2 3.5Å; W222-F226 AromaticContact CH2-CE2 3.95Å; W222-F226 HydrophobicContact CH2-CE2 3.95Å; W222-F226 AromaticContact CH2-CG 3.66Å; W222-F226 HydrophobicContact CH2-CG 3.66Å; W222-F226 HydrophobicContact CH2-CZ 4.49Å; W222-F226 HydrophobicContact CZ2-CB 4.42Å; W222-F226 AromaticContact CZ2-CD2 3.9Å; W222-F226 HydrophobicContact CZ2-CD2 3.9Å; W222-F226 HydrophobicContact CZ2-CG 4.28Å; W222-F226 HydrophobicContact CZ3-CB 3.88Å; W222-F226 HydrophobicContact CZ3-CD1 4.05Å; W222-F226 HydrophobicContact CZ3-CD2 4.06Å; W222-F226 AromaticContact CZ3-CG 3.71Å; W222-F226 HydrophobicContact CZ3-CG 3.71Å; W222-F226 VanDerWaalsContact O-CB 3.22Å; W222-F226 WeakPolarHBondContact O-CB 3.4Å; W222-F226 PolarHBondContact O-N 2.89Å; R223-F226 PolarHBondContact O-N 3.33Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.82Å; F226-V230 HydrophobicContact CD1-CG2 4.46Å; F226-V230 HydrophobicContact CD2-CG2 4.07Å; F226-V230 HydrophobicContact CE1-CG2 4.02Å; F226-V230 HydrophobicContact CE2-CG2 3.58Å; F226-V230 HydrophobicContact CG-CG2 4.48Å; F226-V230 HydrophobicContact CZ-CG2 3.56Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.37Å
227	W	93.9	Very high	90.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-43.6	-175.8	-75.3	117.5	0	0	0	114.3	I83 L101 D104 A105 Y108 R223 A229 V230 C231	I83-W227 HydrophobicContact CD1-CH2 3.94Å; I83-W227 HydrophobicContact CD1-CZ3 3.89Å; L101-W227 HydrophobicContact CB-CZ2 4.49Å; L101-W227 HydrophobicContact CD2-CZ2 4.34Å; L101-W227 WeakPolarHBondContact O-CZ2 3.4Å; D104-W227 HydrophobicContact CB-CD2 4.48Å; D104-W227 VanDerWaalsContact CB-CE2 3.42Å; D104-W227 HydrophobicContact CB-CH2 4.34Å; D104-W227 HydrophobicContact CB-CZ2 3.37Å; D104-W227 VanDerWaalsContact CB-NE1 3.31Å; D104-W227 PolarHBondContact OD2-NE1 2.83Å; A105-W227 HydrophobicContact CB-CH2 3.95Å; Y108-W227 HydrophobicContact CD2-CB 4.3Å; Y108-W227 AromaticContact CD2-CD2 3.53Å; Y108-W227 HydrophobicContact CD2-CD2 3.53Å; Y108-W227 AromaticContact CD2-CE3 3.39Å; Y108-W227 HydrophobicContact CD2-CE3 3.39Å; Y108-W227 AromaticContact CD2-CG 3.94Å; Y108-W227 HydrophobicContact CD2-CG 3.94Å; Y108-W227 AromaticContact CD2-CZ3 3.95Å; Y108-W227 HydrophobicContact CD2-CZ3 3.95Å; Y108-W227 HydrophobicContact CE1-CB 4.03Å; Y108-W227 HydrophobicContact CE2-CB 3.64Å; Y108-W227 AromaticContact CE2-CD1 3.76Å; Y108-W227 AromaticContact CE2-CD2 3.39Å; Y108-W227 HydrophobicContact CE2-CD2 3.39Å; Y108-W227 AromaticContact CE2-CE2 3.97Å; Y108-W227 AromaticContact CE2-CE3 3.78Å; Y108-W227 HydrophobicContact CE2-CE3 3.78Å; Y108-W227 AromaticContact CE2-CG 3.3Å; Y108-W227 HydrophobicContact CE2-CG 3.3Å; Y108-W227 HydrophobicContact CG-CD2 4.44Å; Y108-W227 AromaticContact CG-CE3 3.98Å; Y108-W227 HydrophobicContact CG-CE3 3.98Å; Y108-W227 VanDerWaalsContact CZ-CB 3.46Å; Y108-W227 AromaticContact CZ-CG 3.68Å; Y108-W227 WeakPolarHBondContact OH-CB 3.23Å; R223-W227 PolarHBondContact O-N 3.36Å; W227-A229 VanDerWaalsContact C-N 3.32Å; W227-A229 PolarHBondContact O-N 3.4Å; W227-V230 HydrophobicContact CE3-CB 4.36Å; W227-V230 HydrophobicContact CE3-CG1 4.34Å; W227-V230 HydrophobicContact CZ3-CG1 4.34Å; W227-V230 WeakPolarHBondContact O-CB 3.24Å; W227-V230 PolarHBondContact O-N 3.42Å; W227-C231 PolarHBondContact O-N 3.21Å; W227-C231 PolarHBondContact O-SG 2.78Å
228	P	89.4	Confident	90	Very high	74 Å²	74	50.6 Å²	50.6	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-42	170.5	-28.9	35.9	0	0	0	113.7	E224 Q225 V230 C231 E232	E224-P228 WeakPolarHBondContact O-CD 3.49Å; E224-P228 WeakPolarHBondContact O-CG 3.48Å; Q225-P228 WeakPolarHBondContact O-CD 3.33Å; P228-V230 VanDerWaalsContact C-N 3.34Å; P228-V230 PolarHBondContact O-N 2.84Å; P228-C231 WeakPolarHBondContact O-CB 3.3Å; P228-C231 PolarHBondContact O-N 2.88Å; P228-E232 PolarHBondContact O-N 3.23Å
229	A	90	Very high	89	Confident	23 Å²	23	51.1 Å²	51.1	19%	0.19	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-38.8	177.5	0	0	0	0	0	112.1	F204 Q225 F226 W227 H233	F204-A229 HydrophobicContact CD2-CB 3.64Å; F204-A229 HydrophobicContact CE2-CB 4.26Å; F204-A229 HydrophobicContact CG-CB 4.43Å; Q225-A229 PolarHBondContact O-N 2.81Å; F226-A229 WeakPolarHBondContact O-CB 3.45Å; F226-A229 PolarHBondContact O-N 2.82Å; W227-A229 VanDerWaalsContact C-N 3.32Å; W227-A229 PolarHBondContact O-N 3.4Å; A229-H233 WeakPolarHBondContact O-CB 2.97Å; A229-H233 PolarHBondContact O-N 2.81Å
230	V	92.9	Very high	87.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-45.9	172.3	172.9	0	0	0	0	110.6	M110 L135 F226 W227 P228 E232 H233 F234	M110-V230 HydrophobicContact SD-CG1 3.81Å; L135-V230 HydrophobicContact CD2-CG1 4.28Å; L135-V230 HydrophobicContact CD2-CG2 3.82Å; F226-V230 HydrophobicContact CD1-CG2 4.46Å; F226-V230 HydrophobicContact CD2-CG2 4.07Å; F226-V230 HydrophobicContact CE1-CG2 4.02Å; F226-V230 HydrophobicContact CE2-CG2 3.58Å; F226-V230 HydrophobicContact CG-CG2 4.48Å; F226-V230 HydrophobicContact CZ-CG2 3.56Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.37Å; W227-V230 HydrophobicContact CE3-CB 4.36Å; W227-V230 HydrophobicContact CE3-CG1 4.34Å; W227-V230 HydrophobicContact CZ3-CG1 4.34Å; W227-V230 WeakPolarHBondContact O-CB 3.24Å; W227-V230 PolarHBondContact O-N 3.42Å; P228-V230 VanDerWaalsContact C-N 3.34Å; P228-V230 PolarHBondContact O-N 2.84Å; V230-E232 PolarHBondContact O-N 3.32Å; V230-H233 PolarHBondContact O-N 3.41Å; V230-F234 HydrophobicContact CG1-CD2 3.8Å; V230-F234 HydrophobicContact CG1-CE2 4.22Å; V230-F234 WeakPolarHBondContact O-CD2 3.41Å; V230-F234 PolarHBondContact O-N 2.82Å
231	C	89.4	Confident	85.8	Confident	20 Å²	20	60.6 Å²	60.6	14%	0.135	35%	0.352	C	S	.	.	H	α-helix	trans	-58.6	-47.7	177.9	-68.3	0	0	0	0	112	Y108 W227 P228 G235 V236	Y108-C231 WeakPolarHBondContact CD1-SG 3.22Å; W227-C231 PolarHBondContact O-N 3.21Å; W227-C231 PolarHBondContact O-SG 2.78Å; P228-C231 WeakPolarHBondContact O-CB 3.3Å; P228-C231 PolarHBondContact O-N 2.88Å; C231-G235 VanDerWaalsContact O-CA 3.31Å; C231-G235 WeakPolarHBondContact O-CA 3.18Å; C231-G235 PolarHBondContact O-N 3.43Å; C231-V236 WeakPolarHBondContact CA-O 3.48Å; C231-V236 HydrophobicContact CB-CG2 4.37Å; C231-V236 WeakPolarHBondContact CB-O 3.26Å; C231-V236 PolarHBondContact O-N 3.31Å; C231-V236 VanDerWaalsContact O-N 3.15Å
232	E	88.6	Confident	84.5	Confident	171 Å²	171	64.6 Å²	64.6	80%	0.799	37%	0.367	S	S	*	.	H	α-helix	trans	-62.5	-44	178	-174.8	177.2	179.6	0	0	112	P228 V230	P228-E232 PolarHBondContact O-N 3.23Å; V230-E232 PolarHBondContact O-N 3.32Å
233	H	90.1	Very high	82.8	Confident	72 Å²	72	67.1 Å²	67.1	33%	0.333	39%	0.387	S	S	.	.	H	α-helix	trans	-70.6	-41.2	-177.2	-174.6	89	0	0	0	113.3	K170 I203 A229 V230	K170-H233 WeakPolarHBondContact CE-NE2 3.39Å; K170-H233 PolarHBondContact NZ-NE2 2.6Å; I203-H233 HydrophobicContact CG2-CB 4.34Å; A229-H233 WeakPolarHBondContact O-CB 2.97Å; A229-H233 PolarHBondContact O-N 2.81Å; V230-H233 PolarHBondContact O-N 3.41Å
234	F	91.5	Very high	81.8	Confident	19 Å²	19	67.3 Å²	67.3	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-95.6	-4.8	-176.7	-68	-80.7	0	0	0	113.6	N133 L135 K170 V230 V236	N133-F234 HydrophobicContact CB-CD1 3.65Å; N133-F234 HydrophobicContact CB-CE1 4.05Å; L135-F234 HydrophobicContact CB-CE2 4.24Å; L135-F234 HydrophobicContact CB-CZ 4.01Å; L135-F234 HydrophobicContact CD2-CE2 4.25Å; K170-F234 HydrophobicContact CB-CZ 4.36Å; K170-F234 HydrophobicContact CD-CE1 3.52Å; K170-F234 HydrophobicContact CD-CE2 4.49Å; K170-F234 HydrophobicContact CD-CZ 3.39Å; V230-F234 HydrophobicContact CG1-CD2 3.8Å; V230-F234 HydrophobicContact CG1-CE2 4.22Å; V230-F234 WeakPolarHBondContact O-CD2 3.41Å; V230-F234 PolarHBondContact O-N 2.82Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 HydrophobicContact CB-CG1 4.36Å; F234-V236 HydrophobicContact CB-CG2 4.46Å
235	G	88.9	Confident	81.4	Confident	69 Å²	69	67.5 Å²	67.5	71%	0.711	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	34.4	-178.4	0	0	0	0	0	113.1	C231	C231-G235 VanDerWaalsContact O-CA 3.31Å; C231-G235 WeakPolarHBondContact O-CA 3.18Å; C231-G235 PolarHBondContact O-N 3.43Å
236	V	87.3	Confident	81.3	Confident	32 Å²	32	66 Å²	66	19%	0.194	39%	0.387	C	S	.	.			trans	-103.8	151.6	175.8	-61.1	0	0	0	0	110.1	M110 C231 F234	M110-V236 HydrophobicContact CG-CG1 4.49Å; M110-V236 HydrophobicContact CG-CG2 4.39Å; M110-V236 HydrophobicContact SD-CG2 4.03Å; C231-V236 WeakPolarHBondContact CA-O 3.48Å; C231-V236 HydrophobicContact CB-CG2 4.37Å; C231-V236 WeakPolarHBondContact CB-O 3.26Å; C231-V236 PolarHBondContact O-N 3.31Å; C231-V236 VanDerWaalsContact O-N 3.15Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 HydrophobicContact CB-CG1 4.36Å; F234-V236 HydrophobicContact CB-CG2 4.46Å
237	E	80.9	Confident	80.9	Confident	170 Å²	170	68 Å²	68	79%	0.794	40%	0.397	S	S	*	.			trans	-118.3	153.4	177.9	-66.7	-175.1	172.8	0	0	110.4	T239	E237-T239 PolarHBondContact O-N 3.38Å
238	A	77.9	Confident	81	Confident	63 Å²	63	68 Å²	68	52%	0.521	40%	0.397	S	S	.	.			trans	-61.7	130.2	172	0	0	0	0	0	109.6	R107 Y108 G240	R107-A238 WeakPolarHBondContact O-CA 3.33Å; Y108-A238 HydrophobicContact CD1-CB 3.92Å; Y108-A238 HydrophobicContact CE1-CB 3.91Å; A238-G240 PolarHBondContact O-N 3.01Å; A238-G240 VanDerWaalsContact O-N 3.11Å
239	T	72.6	Confident	81.4	Confident	71 Å²	71	68.9 Å²	68.9	44%	0.436	40%	0.395	S	S	.	.			trans	-70.9	-6.8	-177.2	55.5	0	0	0	0	113.1	R107 E237 E241	R107-T239 PolarHBondContact O-N 2.87Å; R107-T239 PolarHBondContact O-OG1 2.9Å; R107-T239 VanDerWaalsContact O-OG1 3.13Å; E237-T239 PolarHBondContact O-N 3.38Å; T239-E241 PolarHBondContact O-N 3.31Å
240	G	57	Low	81.8	Confident	73 Å²	73	70.8 Å²	70.8	75%	0.753	40%	0.402	S	S	*	.			trans	74.6	-1.7	177.7	0	0	0	0	0	114.6	A238 E242	A238-G240 PolarHBondContact O-N 3.01Å; A238-G240 VanDerWaalsContact O-N 3.11Å; G240-E242 PolarHBondContact O-N 2.76Å
241	E	56.4	Low	82	Confident	125 Å²	125	73 Å²	73	58%	0.584	42%	0.415	S	S	*	.			trans	-88.3	88.7	179.5	-64.4	-175.2	175.3	0	0	110.7	T239 S243	T239-E241 PolarHBondContact O-N 3.31Å; E241-S243 PolarHBondContact O-N 3.25Å
242	E	60.9	Low	82.5	Confident	137 Å²	137	75.8 Å²	75.8	64%	0.64	43%	0.431	S	S	*	.			trans	-74.2	72.4	157.4	-87.9	-169.3	156.4	0	0	108.9	R107 G240 Y390	R107-E242 IonicContact NH2-OE1 3.59Å; G240-E242 PolarHBondContact O-N 2.76Å; E242-Y390 PolarHBondContact OE1-OH 3.27Å; E242-Y390 PolarHBondContact OE2-OH 3.17Å
243	S	61.5	Low	82.9	Confident	65 Å²	65	70.2 Å²	70.2	46%	0.455	41%	0.405	S	S	.	.			trans	-98	135.3	168	63.7	0	0	0	0	109.7	E241 I245	E241-S243 PolarHBondContact O-N 3.25Å; S243-I245 PolarHBondContact O-N 3.42Å
244	S	72.5	Confident	83	Confident	47 Å²	47	72.5 Å²	72.5	33%	0.329	42%	0.424	S	S	.	.			trans	-66.8	99.2	171	159	0	0	0	0	108.3	E391 Q394	S244-E391 PolarHBondContact OG-OE2 3.39Å; S244-Q394 PolarHBondContact OG-NE2 3.16Å; S244-Q394 PolarHBondContact OG-OE1 3.19Å
245	I	80.4	Confident	83.1	Confident	87 Å²	87	78.9 Å²	78.9	45%	0.446	46%	0.459	S	S	.	.			trans	-95.3	111.2	179.3	-60.5	170.1	0	0	0	108.9	H106 S243	H106-I245 WeakPolarHBondContact CD2-CD1 3.36Å; S243-I245 PolarHBondContact O-N 3.42Å
246	R	88.9	Confident	83.4	Confident	62 Å²	62	78 Å²	78	23%	0.234	44%	0.438	C	S	.	.			trans	-68	144.7	168.4	-67.2	-165.2	63.6	-175.7	1.8	110.3	Y248 L354 D445 E449	R246-Y248 PolarHBondContact NE-O 2.99Å; R246-Y248 PolarHBondContact NH2-O 3.15Å; R246-L354 WeakPolarHBondContact O-CD1 3.31Å; R246-D445 IonicContact CZ-OD2 2.6Å; R246-D445 VanDerWaalsContact CZ-OD2 3.22Å; R246-D445 IonicContact NH1-OD2 3.7Å; R246-D445 PolarHBondContact NH1-OD2 3.45Å; R246-D445 IonicContact NH2-OD2 2.94Å; R246-D445 PolarHBondContact NH2-OD2 2.77Å; R246-E449 IonicContact CZ-OE2 2.64Å; R246-E449 IonicContact NE-OE2 3.81Å; R246-E449 PolarHBondContact NE-OE2 3.28Å; R246-E449 IonicContact NH2-OE2 3.9Å; R246-E449 PolarHBondContact NH2-OE2 2.98Å
247	Q	88.9	Confident	83.8	Confident	43 Å²	43	81.2 Å²	81.2	20%	0.201	45%	0.454	C	S	.	.	S	Bend	trans	-91.7	-27	172.8	-176.8	172.4	22.1	0	0	111.9	K103 N353 L354 E449	K103-Q247 VanDerWaalsContact CE-CD 3.47Å; Q247-N353 PolarHBondContact O-OD1 3.02Å; Q247-L354 PolarHBondContact O-N 2.99Å; Q247-E449 WeakPolarHBondContact CA-OE1 3.36Å; Q247-E449 WeakPolarHBondContact CB-OE1 3.35Å; Q247-E449 PolarHBondContact N-OE1 3.25Å
248	Y	94.9	Very high	84.4	Confident	5 Å²	5	76.6 Å²	76.6	2%	0.02	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.6	-176.4	-56.5	-92.4	0	0	0	112.1	R246 L351 N352 N353 P363 E449	R246-Y248 PolarHBondContact NE-O 2.99Å; R246-Y248 PolarHBondContact NH2-O 3.15Å; Y248-L351 HydrophobicContact CD1-CB 4.42Å; Y248-L351 WeakPolarHBondContact CD1-O 3.41Å; Y248-L351 HydrophobicContact CG-CB 4.28Å; Y248-N352 CarbonylContact C-O 3.27Å; Y248-N352 WeakPolarHBondContact CA-O 3.47Å; Y248-N353 VanDerWaalsContact CD1-CA 3.49Å; Y248-N353 HydrophobicContact CD1-CB 3.89Å; Y248-N353 HydrophobicContact CE1-CB 3.73Å; Y248-P363 HydrophobicContact CD1-CG 4.4Å; Y248-P363 HydrophobicContact CE1-CB 4.35Å; Y248-P363 VanDerWaalsContact CE1-CD 3.47Å; Y248-P363 HydrophobicContact CE1-CG 4.35Å; Y248-P363 HydrophobicContact CE2-CB 4.04Å; Y248-P363 HydrophobicContact CE2-CG 4.43Å; Y248-P363 HydrophobicContact CG-CG 4.49Å; Y248-E449 HydrophobicContact CD2-CB 4.35Å; Y248-E449 HydrophobicContact CD2-CG 3.75Å; Y248-E449 HydrophobicContact CE2-CG 4.38Å; Y248-E449 PolarHBondContact N-OE1 2.83Å
249	E	97.3	Very high	85.2	Confident	92 Å²	92	76.1 Å²	76.1	43%	0.43	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143	166.4	56.3	163.9	-157.9	0	0	111.1	L351 N352 L354	E249-L351 CarbonylContact O-C 3.59Å; E249-L351 VanDerWaalsContact O-CA 3.31Å; E249-L351 WeakPolarHBondContact O-CA 3.35Å; E249-N352 HydrophobicContact CG-CB 3.86Å; E249-N352 WeakPolarHBondContact CG-O 3.31Å; E249-N352 PolarHBondContact N-O 3Å; E249-N352 PolarHBondContact O-N 3.39Å; E249-N352 PolarHBondContact OE1-ND2 3.25Å; E249-L354 HydrophobicContact CB-CD2 3.84Å; E249-L354 HydrophobicContact CB-CG 4.47Å; E249-L354 HydrophobicContact CG-CD2 4.07Å
250	L	98.4	Very high	86.4	Confident	64 Å²	64	78.9 Å²	78.9	34%	0.335	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126	174.3	174	65.5	0	0	0	110.7	V252 M349 L351 Y370 D445	L250-V252 HydrophobicContact CD1-CG2 4.22Å; L250-V252 HydrophobicContact CD2-CG2 4.07Å; L250-V252 HydrophobicContact CG-CG2 4.07Å; L250-M349 HydrophobicContact CD1-CB 3.74Å; L250-M349 HydrophobicContact CD1-CG 4.09Å; L250-M349 HydrophobicContact CD1-SD 4.06Å; L250-L351 HydrophobicContact CB-CD2 4.34Å; L250-L351 HydrophobicContact CD1-CD2 4.42Å; L250-Y370 WeakPolarHBondContact CD1-OH 3.4Å; L250-D445 HydrophobicContact CB-CB 4.38Å; L250-D445 HydrophobicContact CD1-CB 3.91Å; L250-D445 HydrophobicContact CD2-CB 3.93Å; L250-D445 HydrophobicContact CG-CB 4.28Å
251	V	98.4	Very high	88.3	Confident	46 Å²	46	76.1 Å²	76.1	28%	0.279	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.4	168.6	-179.2	0	0	0	0	109.3	M349 S350 N352	V251-M349 CarbonylContact O-C 3.48Å; V251-M349 WeakPolarHBondContact O-CA 3.23Å; V251-M349 WeakPolarHBondContact O-CB 3.31Å; V251-S350 PolarHBondContact N-O 3.2Å; V251-S350 PolarHBondContact O-N 2.81Å; V251-N352 VanDerWaalsContact CG2-ND2 3.31Å; V251-N352 WeakPolarHBondContact CG2-ND2 3.38Å
252	V	98.4	Very high	90.3	Very high	79 Å²	79	72 Å²	72	48%	0.479	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.7	176.8	178.8	0	0	0	0	109.9	L250 V347	L250-V252 HydrophobicContact CD1-CG2 4.22Å; L250-V252 HydrophobicContact CD2-CG2 4.07Å; L250-V252 HydrophobicContact CG-CG2 4.07Å; V252-V347 HydrophobicContact CG1-CG1 3.73Å; V252-V347 HydrophobicContact CG2-CG1 4.45Å
253	H	97.4	Very high	92.1	Very high	54 Å²	54	69 Å²	69	25%	0.25	39%	0.385	C	S	.	.			trans	-107.1	117.1	-178.9	-57.7	-76.7	0	0	0	110.5	I256 V348 S350	H253-I256 HydrophobicContact CB-CB 3.94Å; H253-I256 HydrophobicContact CB-CG2 3.69Å; H253-V348 HydrophobicContact CB-CG1 4.35Å; H253-V348 PolarHBondContact N-O 3.3Å; H253-S350 PolarHBondContact NE2-OG 3.13Å
254	T	93.5	Very high	93.8	Very high	120 Å²	120	66 Å²	66	74%	0.736	36%	0.364	S	S	*	.	S	Bend	trans	-87.8	-38.9	179.6	52.2	0	0	0	0	113.5
255	D	92.8	Very high	95	Very high	152 Å²	152	63.8 Å²	63.8	81%	0.813	35%	0.349	S	S	*	.	S	Bend	trans	-126.6	37	-169.5	-57.3	-67.7	0	0	0	112.4
256	I	95	Very high	95.6	Very high	51 Å²	51	60.8 Å²	60.8	26%	0.262	33%	0.333	S	S	.	.			trans	-80.4	136.7	178.1	-168.7	167.2	0	0	0	111.4	H253 A258 K260 V261 V348 P367	H253-I256 HydrophobicContact CB-CB 3.94Å; H253-I256 HydrophobicContact CB-CG2 3.69Å; I256-A258 PolarHBondContact O-N 3.34Å; I256-K260 HydrophobicContact CD1-CB 4.26Å; I256-K260 HydrophobicContact CG1-CB 4.21Å; I256-V261 HydrophobicContact CD1-CG2 4.36Å; I256-V261 HydrophobicContact CG1-CG2 4.35Å; I256-V261 HydrophobicContact CG2-CG2 3.8Å; I256-V348 HydrophobicContact CG2-CB 4.25Å; I256-V348 HydrophobicContact CG2-CG1 3.77Å; I256-P367 HydrophobicContact CD1-CB 3.91Å; I256-P367 HydrophobicContact CD1-CG 3.64Å
257	D	95.1	Very high	95.7	Very high	99 Å²	99	59.1 Å²	59.1	53%	0.529	34%	0.335	S	S	.	.			trans	-61	127.1	172.9	-174.9	-16.8	0	0	0	110.4	A259 K260	D257-A259 PolarHBondContact O-N 3.39Å; D257-A259 VanDerWaalsContact O-N 3.09Å; D257-A259 WeakPolarHBondContact OD1-CB 3.34Å; D257-A259 PolarHBondContact OD1-N 3.46Å; D257-K260 HydrophobicContact CB-CD 4.44Å; D257-K260 HydrophobicContact CB-CG 4.4Å; D257-K260 WeakPolarHBondContact O-CA 3.49Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.02Å
258	A	93.7	Very high	96	Very high	74 Å²	74	66.8 Å²	66.8	61%	0.612	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-56.3	-25.9	178	0	0	0	0	0	113.1	I256 K260 V261	I256-A258 PolarHBondContact O-N 3.34Å; A258-K260 PolarHBondContact O-N 3.2Å; A258-V261 PolarHBondContact O-N 3.16Å
259	A	95.2	Very high	96	Very high	52 Å²	52	68.9 Å²	68.9	43%	0.43	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-64.9	-20.2	174	0	0	0	0	0	113.3	D257	D257-A259 PolarHBondContact O-N 3.39Å; D257-A259 VanDerWaalsContact O-N 3.09Å; D257-A259 WeakPolarHBondContact OD1-CB 3.34Å; D257-A259 PolarHBondContact OD1-N 3.46Å
260	K	96.9	Very high	96	Very high	129 Å²	129	66.5 Å²	66.5	56%	0.561	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-97.6	1.1	179.7	-62.4	-178.3	-177.9	176.3	0	113.9	I256 D257 A258	I256-K260 HydrophobicContact CD1-CB 4.26Å; I256-K260 HydrophobicContact CG1-CB 4.21Å; D257-K260 HydrophobicContact CB-CD 4.44Å; D257-K260 HydrophobicContact CB-CG 4.4Å; D257-K260 WeakPolarHBondContact O-CA 3.49Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.02Å; A258-K260 PolarHBondContact O-N 3.2Å
261	V	98.3	Very high	96	Very high	15 Å²	15	63.8 Å²	63.8	9%	0.091	35%	0.348	C	S	.	.	S	Bend	trans	-102.2	130.5	-177.5	-174.1	0	0	0	0	109.3	I256 A258 V348	I256-V261 HydrophobicContact CD1-CG2 4.36Å; I256-V261 HydrophobicContact CG1-CG2 4.35Å; I256-V261 HydrophobicContact CG2-CG2 3.8Å; A258-V261 PolarHBondContact O-N 3.16Å; V261-V348 HydrophobicContact CG1-CG1 3.88Å; V261-V348 HydrophobicContact CG1-CG2 4.32Å; V261-V348 HydrophobicContact CG2-CG1 3.87Å
262	Y	98.6	Very high	95.9	Very high	40 Å²	40	63.5 Å²	63.5	16%	0.157	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-69.5	141.8	172.3	-75.9	-91.6	0	0	0	110.8	E265 G267 L269 P365 C366 P367 T368	Y262-E265 HydrophobicContact CD1-CB 4.41Å; Y262-G267 WeakPolarHBondContact CE1-O 3.39Å; Y262-G267 PolarHBondContact OH-O 2.99Å; Y262-L269 HydrophobicContact CD1-CD1 4.04Å; Y262-L269 HydrophobicContact CD2-CD1 3.94Å; Y262-L269 VanDerWaalsContact CE1-CA 3.44Å; Y262-L269 HydrophobicContact CE1-CB 3.86Å; Y262-L269 HydrophobicContact CE1-CD1 4.18Å; Y262-L269 HydrophobicContact CE2-CB 4.19Å; Y262-L269 HydrophobicContact CE2-CD1 4.08Å; Y262-L269 HydrophobicContact CG-CD1 3.93Å; Y262-L269 PolarHBondContact OH-N 3.13Å; Y262-P365 HydrophobicContact CD1-CB 3.51Å; Y262-P365 HydrophobicContact CD2-CB 4.03Å; Y262-P365 HydrophobicContact CE1-CB 3.76Å; Y262-P365 HydrophobicContact CE2-CB 4.26Å; Y262-P365 HydrophobicContact CG-CB 3.65Å; Y262-C366 VanDerWaalsContact CE2-O 3.24Å; Y262-C366 WeakPolarHBondContact CE2-O 3.24Å; Y262-P367 PolarHBondContact N-O 3.24Å; Y262-T368 PolarHBondContact O-OG1 3.43Å
263	V	98.2	Very high	95.8	Very high	73 Å²	73	65.4 Å²	65.4	44%	0.442	35%	0.346	S	S	.	.	S	Bend	trans	-127.6	15.8	-175.3	-64.3	0	0	0	0	112.7	E265	V263-E265 WeakPolarHBondContact CG2-OE2 3.26Å; V263-E265 PolarHBondContact N-OE2 2.91Å
264	G	97.4	Very high	95.8	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.01	36%	0.36	C	S	.	.	S	Bend	trans	130.4	-4.9	176.4	0	0	0	0	0	114.3	Y377	G264-Y377 VanDerWaalsContact C-OH 3.25Å; G264-Y377 VanDerWaalsContact CA-OH 3.26Å; G264-Y377 WeakPolarHBondContact CA-OH 3.31Å; G264-Y377 PolarHBondContact N-OH 2.94Å
265	E	97.6	Very high	95.9	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.336	C	S	.	.			trans	-65.1	145.5	175.9	-49.2	98.8	128.9	0	0	111.4	Y262 V263 K270 Y272 Y377	Y262-E265 HydrophobicContact CD1-CB 4.41Å; V263-E265 WeakPolarHBondContact CG2-OE2 3.26Å; V263-E265 PolarHBondContact N-OE2 2.91Å; E265-K270 WeakPolarHBondContact OE1-CA 3.34Å; E265-K270 PolarHBondContact OE1-N 3.31Å; E265-Y272 HydrophobicContact CB-CD1 3.93Å; E265-Y272 HydrophobicContact CB-CE1 4.21Å; E265-Y272 HydrophobicContact CB-CG 4.14Å; E265-Y272 HydrophobicContact CG-CD1 3.81Å; E265-Y272 HydrophobicContact CG-CD2 4.11Å; E265-Y272 HydrophobicContact CG-CG 3.57Å; E265-Y377 PolarHBondContact N-OH 2.7Å; E265-Y377 VanDerWaalsContact O-CE1 3.29Å; E265-Y377 WeakPolarHBondContact O-CE1 3.46Å; E265-Y377 PolarHBondContact O-OH 2.91Å
266	M	92	Very high	96.1	Very high	25 Å²	25	64 Å²	64	12%	0.123	33%	0.327	C	S	.	.	S	Bend	trans	-85.8	-42.2	-175.1	-66.7	-64.4	159.5	0	0	114	Y326 P365 Y377	M266-Y326 HydrophobicContact CE-CD1 3.4Å; M266-Y326 VanDerWaalsContact CE-CD1 3.4Å; M266-Y326 HydrophobicContact CE-CE1 4.07Å; M266-Y326 HydrophobicContact CE-CG 3.69Å; M266-Y326 HydrophobicContact CG-CD1 4.1Å; M266-Y326 HydrophobicContact CG-CD2 4.09Å; M266-Y326 HydrophobicContact CG-CE1 4.06Å; M266-Y326 HydrophobicContact CG-CE2 4.05Å; M266-Y326 HydrophobicContact CG-CG 4.11Å; M266-Y326 HydrophobicContact SD-CD1 3.84Å; M266-Y326 HydrophobicContact SD-CE1 3.87Å; M266-Y326 HydrophobicContact SD-CG 4.36Å; M266-P365 WeakPolarHBondContact O-CG 3.4Å; M266-Y377 HydrophobicContact CE-CD1 4.45Å; M266-Y377 HydrophobicContact SD-CD1 4.4Å; M266-Y377 HydrophobicContact SD-CE1 4.42Å
267	G	91.7	Very high	96.1	Very high	27 Å²	27	64.5 Å²	64.5	28%	0.278	33%	0.334	S	S	.	.	S	Bend	trans	-107.8	-108.9	-175.4	0	0	0	0	0	112	Y262 K282	Y262-G267 WeakPolarHBondContact CE1-O 3.39Å; Y262-G267 PolarHBondContact OH-O 2.99Å; G267-K282 WeakPolarHBondContact CA-O 3.39Å; G267-K282 PolarHBondContact N-O 3.18Å
268	R	94.9	Very high	96.2	Very high	203 Å²	203	64.6 Å²	64.6	77%	0.766	34%	0.34	S	S	*	.	S	Bend	trans	-68.3	136.6	-178	-175.4	-178.2	175.3	167.9	3.5	111.6	K270 S271	R268-K270 PolarHBondContact O-N 3.27Å; R268-S271 WeakPolarHBondContact O-CB 3.13Å; R268-S271 PolarHBondContact O-N 3.23Å; R268-S271 PolarHBondContact O-OG 3.42Å
269	L	96.4	Very high	96.4	Very high	50 Å²	50	62.4 Å²	62.4	26%	0.262	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	134.1	169.9	-178.3	64.7	0	0	0	112	Y262 S271	Y262-L269 HydrophobicContact CD1-CD1 4.04Å; Y262-L269 HydrophobicContact CD2-CD1 3.94Å; Y262-L269 VanDerWaalsContact CE1-CA 3.44Å; Y262-L269 HydrophobicContact CE1-CB 3.86Å; Y262-L269 HydrophobicContact CE1-CD1 4.18Å; Y262-L269 HydrophobicContact CE2-CB 4.19Å; Y262-L269 HydrophobicContact CE2-CD1 4.08Å; Y262-L269 HydrophobicContact CG-CD1 3.93Å; Y262-L269 PolarHBondContact OH-N 3.13Å; L269-S271 PolarHBondContact O-N 3.05Å
270	K	97.1	Very high	96.4	Very high	42 Å²	42	63.3 Å²	63.3	18%	0.183	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	16.3	-176	-57.2	-50.3	-168.2	173.2	0	115.4	E265 R268 Y272 E273 N274	E265-K270 WeakPolarHBondContact OE1-CA 3.34Å; E265-K270 PolarHBondContact OE1-N 3.31Å; R268-K270 PolarHBondContact O-N 3.27Å; K270-Y272 VanDerWaalsContact C-N 3.3Å; K270-Y272 PolarHBondContact O-N 2.72Å; K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.22Å; K270-E273 IonicContact NZ-OE2 3.81Å; K270-E273 PolarHBondContact O-N 2.95Å; K270-N274 WeakPolarHBondContact CB-ND2 3.29Å; K270-N274 WeakPolarHBondContact O-CB 3.26Å; K270-N274 PolarHBondContact O-N 3.5Å; K270-N274 PolarHBondContact O-ND2 3.15Å
271	S	97.4	Very high	96.1	Very high	7 Å²	7	59 Å²	59	5%	0.049	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.1	179.1	64.2	0	0	0	0	113.3	R268 L269 E273 N274 Q275	R268-S271 WeakPolarHBondContact O-CB 3.13Å; R268-S271 PolarHBondContact O-N 3.23Å; R268-S271 PolarHBondContact O-OG 3.42Å; L269-S271 PolarHBondContact O-N 3.05Å; S271-E273 VanDerWaalsContact C-N 3.33Å; S271-N274 CarbonylContact O-C 3.5Å; S271-Q275 PolarHBondContact O-N 3.41Å; S271-Q275 PolarHBondContact O-NE2 3.37Å
272	Y	97.3	Very high	95.7	Very high	39 Å²	39	64.6 Å²	64.6	15%	0.153	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.1	178.1	-77.5	16.7	0	0	0	112.4	E265 K270 Q275 P284 L286 P513	E265-Y272 HydrophobicContact CB-CD1 3.93Å; E265-Y272 HydrophobicContact CB-CE1 4.21Å; E265-Y272 HydrophobicContact CB-CG 4.14Å; E265-Y272 HydrophobicContact CG-CD1 3.81Å; E265-Y272 HydrophobicContact CG-CD2 4.11Å; E265-Y272 HydrophobicContact CG-CG 3.57Å; K270-Y272 VanDerWaalsContact C-N 3.3Å; K270-Y272 PolarHBondContact O-N 2.72Å; Y272-Q275 WeakPolarHBondContact O-CG 3.26Å; Y272-P284 HydrophobicContact CE1-CG 3.51Å; Y272-P284 WeakPolarHBondContact OH-CG 3.4Å; Y272-L286 HydrophobicContact CD1-CD1 3.57Å; Y272-L286 HydrophobicContact CD2-CD1 3.86Å; Y272-L286 HydrophobicContact CD2-CD2 4.06Å; Y272-L286 HydrophobicContact CD2-CG 4.46Å; Y272-L286 HydrophobicContact CE1-CD1 3.97Å; Y272-L286 HydrophobicContact CE2-CD1 4.22Å; Y272-L286 HydrophobicContact CG-CD1 3.51Å; Y272-L286 HydrophobicContact CG-CD2 4.06Å; Y272-L286 HydrophobicContact CG-CG 4.41Å; Y272-P513 HydrophobicContact CD2-CG 4.37Å; Y272-P513 HydrophobicContact CE1-CB 4.39Å; Y272-P513 HydrophobicContact CE2-CB 3.99Å; Y272-P513 HydrophobicContact CE2-CG 3.57Å; Y272-P513 WeakPolarHBondContact OH-CB 3.47Å
273	E	95.2	Very high	95.6	Very high	119 Å²	119	64.3 Å²	64.3	56%	0.556	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-46	173.5	-64	173.4	-154.7	0	0	110.8	K270 S271 Q275	K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.22Å; K270-E273 IonicContact NZ-OE2 3.81Å; K270-E273 PolarHBondContact O-N 2.95Å; S271-E273 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 2.94Å
274	N	96.6	Very high	95.6	Very high	101 Å²	101	60.9 Å²	60.9	54%	0.54	31%	0.306	S	S	.	.	S	Bend	trans	-99.9	66.5	-177.1	-61.7	-63.8	0	0	0	111.4	K270 S271 K276	K270-N274 WeakPolarHBondContact CB-ND2 3.29Å; K270-N274 WeakPolarHBondContact O-CB 3.26Å; K270-N274 PolarHBondContact O-N 3.5Å; K270-N274 PolarHBondContact O-ND2 3.15Å; S271-N274 CarbonylContact O-C 3.5Å; N274-K276 PolarHBondContact O-N 3.5Å
275	Q	97.3	Very high	95.7	Very high	51 Å²	51	62.1 Å²	62.1	24%	0.238	31%	0.312	C	S	.	.			trans	-66.5	117.2	-176.9	-68.9	-84.1	-78.2	0	0	111.3	S271 Y272 E273 F279 P284 F285	S271-Q275 PolarHBondContact O-N 3.41Å; S271-Q275 PolarHBondContact O-NE2 3.37Å; Y272-Q275 WeakPolarHBondContact O-CG 3.26Å; E273-Q275 PolarHBondContact O-N 2.94Å; Q275-F279 HydrophobicContact CB-CE1 4.02Å; Q275-F279 HydrophobicContact CB-CZ 4.04Å; Q275-P284 PolarHBondContact NE2-O 2.92Å; Q275-P284 PolarHBondContact OE1-O 2.91Å; Q275-F285 VanDerWaalsContact OE1-CA 3.26Å
276	K	96.4	Very high	95.7	Very high	144 Å²	144	63.3 Å²	63.3	63%	0.626	32%	0.318	S	S	*	.			trans	-134.5	130.4	176.6	-64.7	-176.3	-176.2	-177.1	0	109.8	N274 N283	N274-K276 PolarHBondContact O-N 3.5Å; K276-N283 PolarHBondContact O-ND2 3.42Å
277	P	95.7	Very high	96	Very high	62 Å²	62	62.1 Å²	62.1	40%	0.403	31%	0.312	S	S	.	.	S	Bend	trans	-70.1	161.9	176.1	29.3	-34.8	0	0	0	111.8	F279 K314	P277-F279 HydrophobicContact CB-CD2 4.03Å; P277-F279 HydrophobicContact CB-CE2 3.77Å; P277-F279 HydrophobicContact CB-CZ 4.46Å; P277-F279 HydrophobicContact CG-CE2 4.44Å; P277-K314 HydrophobicContact CG-CD 4.25Å
278	P	96.6	Very high	96.2	Very high	102 Å²	102	61.6 Å²	61.6	66%	0.662	31%	0.305	S	S	*	.			cis	-71.7	154	-1.2	31.2	-35.4	0	0	0	112.7	N283	P278-N283 PolarHBondContact O-ND2 3.01Å
279	F	97.9	Very high	96.3	Very high	27 Å²	27	52 Å²	52	12%	0.118	27%	0.269	C	S	.	.			trans	-108.8	130.7	176.8	-59.2	-77.1	0	0	0	110.4	Q275 P277 N283 F285 S313 I315	Q275-F279 HydrophobicContact CB-CE1 4.02Å; Q275-F279 HydrophobicContact CB-CZ 4.04Å; P277-F279 HydrophobicContact CB-CD2 4.03Å; P277-F279 HydrophobicContact CB-CE2 3.77Å; P277-F279 HydrophobicContact CB-CZ 4.46Å; P277-F279 HydrophobicContact CG-CE2 4.44Å; F279-N283 CarbonylContact C-O 3.48Å; F279-N283 WeakPolarHBondContact CA-O 3.47Å; F279-N283 WeakPolarHBondContact CB-O 3.48Å; F279-N283 WeakPolarHBondContact CD1-O 3.25Å; F279-F285 HydrophobicContact CB-CB 3.91Å; F279-F285 HydrophobicContact CD1-CB 3.85Å; F279-F285 HydrophobicContact CD1-CD2 4.23Å; F279-F285 HydrophobicContact CD2-CB 4.03Å; F279-F285 AromaticContact CD2-CD2 3.94Å; F279-F285 HydrophobicContact CD2-CD2 3.94Å; F279-F285 HydrophobicContact CD2-CG 4.32Å; F279-F285 HydrophobicContact CE1-CB 4.38Å; F279-F285 AromaticContact CE1-CD2 3.94Å; F279-F285 HydrophobicContact CE1-CD2 3.94Å; F279-F285 AromaticContact CE2-CD2 3.63Å; F279-F285 HydrophobicContact CE2-CD2 3.63Å; F279-F285 HydrophobicContact CE2-CE2 4.31Å; F279-F285 HydrophobicContact CE2-CG 4.45Å; F279-F285 HydrophobicContact CG-CB 3.66Å; F279-F285 HydrophobicContact CG-CD2 4.24Å; F279-F285 HydrophobicContact CG-CG 4.39Å; F279-F285 AromaticContact CZ-CD2 3.64Å; F279-F285 HydrophobicContact CZ-CD2 3.64Å; F279-F285 HydrophobicContact CZ-CE2 4.32Å; F279-S313 VanDerWaalsContact CD2-O 3.26Å; F279-S313 WeakPolarHBondContact CD2-O 3.17Å; F279-S313 WeakPolarHBondContact CE2-O 3.15Å; F279-I315 HydrophobicContact CB-CD1 4.12Å; F279-I315 HydrophobicContact CB-CG1 4.29Å; F279-I315 HydrophobicContact CD2-CG1 4.41Å
280	D	94.1	Very high	96.3	Very high	71 Å²	71	52.8 Å²	52.8	38%	0.38	28%	0.276	S	S	.	.	S	Bend	trans	-153.5	-166.1	-173.5	59.1	36.6	0	0	0	110.1	K282 N283 P284	D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.09Å; D280-K282 WeakPolarHBondContact OD1-CA 3.44Å; D280-K282 PolarHBondContact OD1-N 2.97Å; D280-N283 PolarHBondContact N-O 3.41Å; D280-N283 CarbonylContact O-C 3.59Å; D280-N283 PolarHBondContact O-N 3.32Å; D280-N283 PolarHBondContact OD1-N 3.41Å; D280-P284 WeakPolarHBondContact O-CA 3.25Å; D280-P284 VanDerWaalsContact O-N 3.12Å
281	A	90.8	Very high	96.2	Very high	38 Å²	38	52.5 Å²	52.5	31%	0.314	28%	0.277	S	S	.	.	S	Bend	trans	-60.7	-35.9	178.9	0	0	0	0	0	113.6	Y326 F515	A281-Y326 WeakPolarHBondContact O-CE2 3.5Å; A281-Y326 PolarHBondContact O-OH 2.63Å; A281-F515 HydrophobicContact CB-CD1 4.41Å; A281-F515 HydrophobicContact CB-CD2 4.49Å; A281-F515 HydrophobicContact CB-CE1 3.91Å; A281-F515 HydrophobicContact CB-CE2 3.99Å; A281-F515 HydrophobicContact CB-CZ 3.67Å
282	K	90.4	Very high	96.2	Very high	134 Å²	134	53.8 Å²	53.8	58%	0.583	28%	0.284	S	S	*	.	S	Bend	trans	-83	-23	-178.7	-63.4	176.9	-176	171.8	0	111.3	E118 G267 D280	E118-K282 IonicContact OE2-NZ 3.14Å; G267-K282 WeakPolarHBondContact CA-O 3.39Å; G267-K282 PolarHBondContact N-O 3.18Å; D280-K282 VanDerWaalsContact C-N 3.31Å; D280-K282 PolarHBondContact O-N 3.09Å; D280-K282 WeakPolarHBondContact OD1-CA 3.44Å; D280-K282 PolarHBondContact OD1-N 2.97Å
283	N	97.2	Very high	96.2	Very high	34 Å²	34	56.1 Å²	56.1	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-136.3	76.3	177.8	-177.7	42.9	0	0	0	111.1	K276 P278 F279 D280	K276-N283 PolarHBondContact O-ND2 3.42Å; P278-N283 PolarHBondContact O-ND2 3.01Å; F279-N283 CarbonylContact C-O 3.48Å; F279-N283 WeakPolarHBondContact CA-O 3.47Å; F279-N283 WeakPolarHBondContact CB-O 3.48Å; F279-N283 WeakPolarHBondContact CD1-O 3.25Å; D280-N283 PolarHBondContact N-O 3.41Å; D280-N283 CarbonylContact O-C 3.59Å; D280-N283 PolarHBondContact O-N 3.32Å; D280-N283 PolarHBondContact OD1-N 3.41Å
284	P	98.3	Very high	96.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.			trans	-71.9	149.5	-176.8	30.4	-36.4	0	0	0	111.7	Y272 Q275 D280 Y326 P513 M514	Y272-P284 HydrophobicContact CE1-CG 3.51Å; Y272-P284 WeakPolarHBondContact OH-CG 3.4Å; Q275-P284 PolarHBondContact NE2-O 2.92Å; Q275-P284 PolarHBondContact OE1-O 2.91Å; D280-P284 WeakPolarHBondContact O-CA 3.25Å; D280-P284 VanDerWaalsContact O-N 3.12Å; P284-Y326 HydrophobicContact CB-CD2 3.99Å; P284-Y326 HydrophobicContact CB-CE2 4.16Å; P284-Y326 HydrophobicContact CG-CD2 3.86Å; P284-Y326 HydrophobicContact CG-CE2 4.07Å; P284-P513 HydrophobicContact CB-CB 4.15Å; P284-P513 HydrophobicContact CG-CB 4.04Å; P284-M514 CarbonylContact C-O 3.5Å
285	F	98.6	Very high	96.5	Very high	28 Å²	28	50.3 Å²	50.3	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.3	174.7	180	-107.9	0	0	0	110.9	Q275 F279 A287 D309 I310 I315 P513 M514	Q275-F285 VanDerWaalsContact OE1-CA 3.26Å; F279-F285 HydrophobicContact CB-CB 3.91Å; F279-F285 HydrophobicContact CD1-CB 3.85Å; F279-F285 HydrophobicContact CD1-CD2 4.23Å; F279-F285 HydrophobicContact CD2-CB 4.03Å; F279-F285 AromaticContact CD2-CD2 3.94Å; F279-F285 HydrophobicContact CD2-CD2 3.94Å; F279-F285 HydrophobicContact CD2-CG 4.32Å; F279-F285 HydrophobicContact CE1-CB 4.38Å; F279-F285 AromaticContact CE1-CD2 3.94Å; F279-F285 HydrophobicContact CE1-CD2 3.94Å; F279-F285 AromaticContact CE2-CD2 3.63Å; F279-F285 HydrophobicContact CE2-CD2 3.63Å; F279-F285 HydrophobicContact CE2-CE2 4.31Å; F279-F285 HydrophobicContact CE2-CG 4.45Å; F279-F285 HydrophobicContact CG-CB 3.66Å; F279-F285 HydrophobicContact CG-CD2 4.24Å; F279-F285 HydrophobicContact CG-CG 4.39Å; F279-F285 AromaticContact CZ-CD2 3.64Å; F279-F285 HydrophobicContact CZ-CD2 3.64Å; F279-F285 HydrophobicContact CZ-CE2 4.32Å; F285-A287 HydrophobicContact CD1-CB 3.89Å; F285-A287 HydrophobicContact CE1-CB 3.96Å; F285-A287 PolarHBondContact O-N 3.36Å; F285-A287 VanDerWaalsContact O-N 3.16Å; F285-D309 WeakPolarHBondContact CE1-O 3.27Å; F285-I310 HydrophobicContact CD1-CG2 4.29Å; F285-I310 HydrophobicContact CE1-CB 4.43Å; F285-I310 HydrophobicContact CE1-CG2 4.4Å; F285-I315 HydrophobicContact CB-CD1 3.65Å; F285-I315 HydrophobicContact CD1-CD1 4.3Å; F285-I315 HydrophobicContact CG-CD1 4.12Å; F285-P513 CarbonylContact O-C 3.56Å; F285-P513 WeakPolarHBondContact O-CA 3.49Å; F285-M514 HydrophobicContact CB-SD 4.38Å; F285-M514 HydrophobicContact CD1-SD 4.33Å; F285-M514 PolarHBondContact N-O 3.31Å; F285-M514 PolarHBondContact O-N 3.41Å
286	L	98.2	Very high	96.4	Very high	26 Å²	26	48.1 Å²	48.1	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	85.4	176.1	-88.5	69.4	0	0	0	110.3	Y272 L511 P513	Y272-L286 HydrophobicContact CD1-CD1 3.57Å; Y272-L286 HydrophobicContact CD2-CD1 3.86Å; Y272-L286 HydrophobicContact CD2-CD2 4.06Å; Y272-L286 HydrophobicContact CD2-CG 4.46Å; Y272-L286 HydrophobicContact CE1-CD1 3.97Å; Y272-L286 HydrophobicContact CE2-CD1 4.22Å; Y272-L286 HydrophobicContact CG-CD1 3.51Å; Y272-L286 HydrophobicContact CG-CD2 4.06Å; Y272-L286 HydrophobicContact CG-CG 4.41Å; L286-L511 HydrophobicContact CB-CB 4.21Å; L286-L511 HydrophobicContact CB-CD1 4.19Å; L286-L511 HydrophobicContact CD2-CB 4.27Å; L286-L511 HydrophobicContact CD2-CD1 3.89Å; L286-L511 HydrophobicContact CG-CB 4.39Å; L286-P513 HydrophobicContact CD1-CB 3.96Å; L286-P513 HydrophobicContact CD1-CG 4.14Å; L286-P513 HydrophobicContact CG-CB 4.39Å; L286-P513 HydrophobicContact CG-CG 4.17Å
287	A	97.5	Very high	96.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.7	178.9	0	0	0	0	0	111.7	F285 L308 D309 I310 L511 V512 M514	F285-A287 HydrophobicContact CD1-CB 3.89Å; F285-A287 HydrophobicContact CE1-CB 3.96Å; F285-A287 PolarHBondContact O-N 3.36Å; F285-A287 VanDerWaalsContact O-N 3.16Å; A287-L308 HydrophobicContact CB-CB 3.85Å; A287-D309 WeakPolarHBondContact CA-O 3.26Å; A287-D309 VanDerWaalsContact CB-O 3.29Å; A287-D309 WeakPolarHBondContact CB-O 3.4Å; A287-I310 HydrophobicContact CB-CG2 4.26Å; A287-L511 CarbonylContact O-C 3.56Å; A287-L511 WeakPolarHBondContact O-CA 3.44Å; A287-V512 PolarHBondContact N-O 3.26Å; A287-V512 PolarHBondContact O-N 3.48Å; A287-M514 HydrophobicContact CB-CG 3.72Å; A287-M514 HydrophobicContact CB-SD 4.3Å
288	A	96.4	Very high	96.1	Very high	16 Å²	16	42.9 Å²	42.9	13%	0.132	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.3	175.1	0	0	0	0	0	110.5	T290 L308 D309 L511	A288-T290 PolarHBondContact O-N 3.5Å; A288-L308 WeakPolarHBondContact O-CA 3.44Å; A288-D309 HydrophobicContact CB-CB 4.38Å; A288-D309 PolarHBondContact O-N 2.53Å; A288-L511 HydrophobicContact CB-CD2 4.09Å
289	V	97.1	Very high	95.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.6	173.5	-176.9	0	0	0	0	108.6	N292 L308 K500 P502 A503 A510 V512	V289-N292 HydrophobicContact CG1-CB 4.12Å; V289-L308 HydrophobicContact CG2-CD2 3.8Å; V289-K500 HydrophobicContact CB-CB 4.39Å; V289-K500 HydrophobicContact CG1-CB 4.34Å; V289-K500 HydrophobicContact CG2-CB 3.88Å; V289-K500 HydrophobicContact CG2-CG 4.24Å; V289-P502 WeakPolarHBondContact O-CA 3.38Å; V289-A503 PolarHBondContact O-N 2.99Å; V289-A510 HydrophobicContact CB-CB 4.26Å; V289-A510 HydrophobicContact CG2-CB 4.46Å; V289-A510 PolarHBondContact N-O 2.79Å; V289-V512 HydrophobicContact CG2-CB 4.49Å; V289-V512 HydrophobicContact CG2-CG2 3.49Å; V289-V512 VanDerWaalsContact CG2-CG2 3.49Å
290	T	95.4	Very high	95.3	Very high	67 Å²	67	49 Å²	49	41%	0.411	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-31.8	-179.7	51.7	0	0	0	0	112.3	A288 E307 D309 P502	A288-T290 PolarHBondContact O-N 3.5Å; T290-E307 PolarHBondContact N-O 3.47Å; T290-E307 WeakPolarHBondContact OG1-CB 3.37Å; T290-E307 PolarHBondContact OG1-O 2.82Å; T290-D309 HydrophobicContact CG2-CB 3.74Å; T290-P502 WeakPolarHBondContact O-CB 3.41Å
291	T	96.4	Very high	95.3	Very high	35 Å²	35	49.1 Å²	49.1	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.7	177.8	-58.6	0	0	0	0	109.1	R293 L306 E307	T291-R293 HydrophobicContact CG2-CB 4.48Å; T291-R293 HydrophobicContact CG2-CG 4.15Å; T291-L306 CarbonylContact O-C 3.35Å; T291-L306 VanDerWaalsContact O-CA 3.23Å; T291-L306 WeakPolarHBondContact O-CA 3.36Å; T291-E307 WeakPolarHBondContact CB-OE2 3.46Å; T291-E307 HydrophobicContact CG2-CG 4.37Å; T291-E307 PolarHBondContact O-N 2.92Å; T291-E307 PolarHBondContact OG1-OE2 3.44Å
292	N	97.4	Very high	95.7	Very high	34 Å²	34	49 Å²	49	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	98.9	167.3	-172	-5.4	0	0	0	107.8	V289 H305 L306 L497 R498 K500 P502	V289-N292 HydrophobicContact CG1-CB 4.12Å; N292-H305 WeakPolarHBondContact CA-O 3.29Å; N292-L306 HydrophobicContact CB-CG 4.39Å; N292-L497 PolarHBondContact ND2-O 3.48Å; N292-R498 PolarHBondContact ND2-O 3.13Å; N292-K500 PolarHBondContact ND2-O 2.98Å; N292-P502 HydrophobicContact CB-CG 3.85Å
293	R	97.8	Very high	96.1	Very high	88 Å²	88	42.9 Å²	42.9	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.1	-174.4	66	-178.8	176.1	100	-4.9	111.1	T291 M304 H305 E581	T291-R293 HydrophobicContact CG2-CB 4.48Å; T291-R293 HydrophobicContact CG2-CG 4.15Å; R293-M304 WeakPolarHBondContact O-CA 3.34Å; R293-H305 HydrophobicContact CG-CB 3.91Å; R293-H305 PolarHBondContact N-O 2.94Å; R293-H305 PolarHBondContact NE-CD2 2.9Å; R293-H305 VanDerWaalsContact NE-CD2 3.34Å; R293-H305 PolarHBondContact O-N 2.83Å; R293-E581 IonicContact CZ-OE1 3.49Å; R293-E581 IonicContact NH1-OE1 3.62Å; R293-E581 PolarHBondContact NH1-OE1 3.11Å; R293-E581 IonicContact NH2-OE1 2.72Å; R293-E581 PolarHBondContact NH2-OE1 3.11Å
294	K	98.3	Very high	96.1	Very high	89 Å²	89	41.2 Å²	41.2	39%	0.387	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.2	171.9	-179	173.8	165	59.4	0	109.6	N296 G298 R301	K294-N296 WeakPolarHBondContact CE-O 3.46Å; K294-N296 WeakPolarHBondContact CG-O 3.37Å; K294-N296 PolarHBondContact NZ-ND2 3.12Å; K294-N296 VanDerWaalsContact NZ-ND2 3.17Å; K294-N296 PolarHBondContact NZ-O 2.94Å; K294-N296 VanDerWaalsContact NZ-O 3.14Å; K294-N296 PolarHBondContact NZ-OD1 2.77Å; K294-G298 WeakPolarHBondContact CE-O 3.49Å; K294-G298 PolarHBondContact NZ-O 3.18Å; K294-R301 PolarHBondContact NZ-O 3.28Å
295	L	97.9	Very high	96.1	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	21%	0.211	C	C	.	.			trans	-90.1	-38.8	179	-75.5	172.1	0	0	0	113	Q297 L303 H305 L577 Y578	L295-Q297 PolarHBondContact O-NE2 3.04Å; L295-L303 HydrophobicContact CB-CB 4.44Å; L295-L303 PolarHBondContact N-O 2.89Å; L295-H305 HydrophobicContact CD1-CB 3.89Å; L295-H305 HydrophobicContact CD2-CB 3.76Å; L295-H305 HydrophobicContact CG-CB 3.7Å; L295-L577 HydrophobicContact CB-CD2 3.59Å; L295-L577 HydrophobicContact CD1-CD2 4.11Å; L295-L577 HydrophobicContact CG-CD2 4.49Å; L295-Y578 HydrophobicContact CD1-CD2 4.47Å; L295-Y578 HydrophobicContact CD1-CE1 4.34Å; L295-Y578 HydrophobicContact CD1-CE2 3.75Å; L295-Y578 HydrophobicContact CD2-CD1 3.89Å; L295-Y578 HydrophobicContact CD2-CE1 3.64Å; L295-Y578 HydrophobicContact CD2-CE2 4.29Å; L295-Y578 HydrophobicContact CD2-CG 4.31Å
296	N	96.3	Very high	96.1	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	21%	0.205	C	C	.	.			trans	-90.4	143.5	-174.8	74	-62.1	0	0	0	111.6	K294 G298 R301 L303 E574 D575 L577	K294-N296 WeakPolarHBondContact CE-O 3.46Å; K294-N296 WeakPolarHBondContact CG-O 3.37Å; K294-N296 PolarHBondContact NZ-ND2 3.12Å; K294-N296 VanDerWaalsContact NZ-ND2 3.17Å; K294-N296 PolarHBondContact NZ-O 2.94Å; K294-N296 VanDerWaalsContact NZ-O 3.14Å; K294-N296 PolarHBondContact NZ-OD1 2.77Å; N296-G298 PolarHBondContact ND2-O 2.7Å; N296-R301 PolarHBondContact ND2-O 2.87Å; N296-R301 PolarHBondContact OD1-O 2.89Å; N296-L303 HydrophobicContact CB-CB 4.17Å; N296-L303 HydrophobicContact CB-CD1 3.74Å; N296-L303 PolarHBondContact OD1-N 2.96Å; N296-L303 PolarHBondContact OD1-O 3.33Å; N296-E574 WeakPolarHBondContact CB-O 3.3Å; N296-D575 HydrophobicContact CB-CB 4.25Å; N296-L577 HydrophobicContact CB-CD2 4.44Å
297	Q	93.8	Very high	96.1	Very high	80 Å²	80	41 Å²	41	37%	0.374	21%	0.209	S	C	.	.	S	Bend	trans	-82.5	-30.1	-177.7	-60	73.8	26.1	0	0	112.1	L295 D573 E574	L295-Q297 PolarHBondContact O-NE2 3.04Å; Q297-D573 WeakPolarHBondContact CB-O 3.19Å; Q297-E574 PolarHBondContact N-O 3.09Å
298	G	91.3	Very high	96.2	Very high	16 Å²	16	41 Å²	41	17%	0.165	21%	0.209	C	C	.	.	S	Bend	trans	-71.7	169.4	178.4	0	0	0	0	0	114.6	K294 N296 E574	K294-G298 WeakPolarHBondContact CE-O 3.49Å; K294-G298 PolarHBondContact NZ-O 3.18Å; N296-G298 PolarHBondContact ND2-O 2.7Å; G298-E574 PolarHBondContact N-O 2.75Å
299	T	90.1	Very high	96.3	Very high	140 Å²	140	42.6 Å²	42.6	86%	0.859	22%	0.215	S	C	*	.	S	Bend	trans	-106.1	-14.3	-177.6	54.6	0	0	0	0	114.4	R301	T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 PolarHBondContact O-N 3.19Å
300	E	88.8	Confident	96.3	Very high	117 Å²	117	42.7 Å²	42.7	55%	0.547	22%	0.216	S	C	.	.	S	Bend	trans	-61.7	-35.2	-175.9	-164.2	-165.1	138	0	0	112.6	R570	E300-R570 IonicContact OE1-CZ 2.87Å; E300-R570 IonicContact OE1-NH1 3.62Å; E300-R570 PolarHBondContact OE1-NH1 3.17Å; E300-R570 IonicContact OE1-NH2 3.18Å; E300-R570 IonicContact OE2-NH1 2.77Å; E300-R570 PolarHBondContact OE2-NH1 3.11Å
301	R	94.4	Very high	96.4	Very high	74 Å²	74	41.5 Å²	41.5	28%	0.279	21%	0.21	S	C	.	.	S	Bend	trans	-133.9	163.8	178	-68.4	175.2	-67	151.8	9.7	110.1	K294 N296 T299 L303 R570 D575	K294-R301 PolarHBondContact NZ-O 3.28Å; N296-R301 PolarHBondContact ND2-O 2.87Å; N296-R301 PolarHBondContact OD1-O 2.89Å; T299-R301 VanDerWaalsContact C-N 3.27Å; T299-R301 PolarHBondContact O-N 3.19Å; R301-L303 HydrophobicContact CB-CD1 3.96Å; R301-R570 VanDerWaalsContact NH2-CD 3.3Å; R301-R570 VanDerWaalsContact NH2-NE 3.19Å; R301-D575 IonicContact CZ-OD2 3.63Å; R301-D575 IonicContact NH2-OD2 3.59Å; R301-D575 PolarHBondContact NH2-OD2 3.29Å
302	H	97.8	Very high	96.4	Very high	36 Å²	36	47.3 Å²	47.3	17%	0.167	24%	0.24	C	C	.	.			trans	-116.9	108.2	172.6	-169.3	99.6	0	0	0	109.3	V478	H302-V478 HydrophobicContact CB-CB 4.07Å; H302-V478 HydrophobicContact CB-CG2 4Å; H302-V478 PolarHBondContact O-N 3.43Å
303	L	98.3	Very high	96.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.5	171.9	-63.2	93.6	0	0	0	107.6	L295 N296 R301 A476 V477 T538 L577	L295-L303 HydrophobicContact CB-CB 4.44Å; L295-L303 PolarHBondContact N-O 2.89Å; N296-L303 HydrophobicContact CB-CB 4.17Å; N296-L303 HydrophobicContact CB-CD1 3.74Å; N296-L303 PolarHBondContact OD1-N 2.96Å; N296-L303 PolarHBondContact OD1-O 3.33Å; R301-L303 HydrophobicContact CB-CD1 3.96Å; L303-A476 CarbonylContact C-O 3.55Å; L303-A476 WeakPolarHBondContact CA-O 3.39Å; L303-V477 HydrophobicContact CD1-CG2 4.5Å; L303-V477 HydrophobicContact CD2-CB 4.22Å; L303-V477 HydrophobicContact CD2-CG2 4.44Å; L303-V477 HydrophobicContact CG-CB 4.1Å; L303-V477 HydrophobicContact CG-CG2 4.04Å; L303-T538 HydrophobicContact CD2-CG2 4.08Å; L303-L577 HydrophobicContact CB-CD2 3.75Å; L303-L577 HydrophobicContact CD2-CD1 3.79Å; L303-L577 HydrophobicContact CD2-CD2 3.78Å; L303-L577 HydrophobicContact CD2-CG 4.26Å; L303-L577 HydrophobicContact CG-CD2 4.25Å
304	M	98.3	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.2	-169.6	56.7	-174.7	-173	0	0	111.5	R293 L306 A476 V478 T494 L497 R498	R293-M304 WeakPolarHBondContact O-CA 3.34Å; M304-L306 HydrophobicContact CB-CD1 4.1Å; M304-L306 HydrophobicContact CE-CD1 3.93Å; M304-L306 HydrophobicContact CG-CD1 3.57Å; M304-L306 HydrophobicContact SD-CD1 3.79Å; M304-A476 HydrophobicContact CE-CB 3.97Å; M304-A476 HydrophobicContact CG-CB 4.42Å; M304-A476 PolarHBondContact N-O 2.71Å; M304-A476 PolarHBondContact O-N 3.41Å; M304-V478 HydrophobicContact CE-CG2 4.13Å; M304-V478 HydrophobicContact SD-CG2 3.85Å; M304-T494 WeakPolarHBondContact CE-O 3.38Å; M304-L497 HydrophobicContact CE-CB 3.72Å; M304-L497 HydrophobicContact CE-CD1 4.39Å; M304-R498 HydrophobicContact SD-CB 3.94Å
305	H	98.8	Very high	96.4	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	169.4	173.7	80.6	0	0	0	108.7	N292 R293 L295 E307 H473 I474 Y578	N292-H305 WeakPolarHBondContact CA-O 3.29Å; R293-H305 HydrophobicContact CG-CB 3.91Å; R293-H305 PolarHBondContact N-O 2.94Å; R293-H305 PolarHBondContact NE-CD2 2.9Å; R293-H305 VanDerWaalsContact NE-CD2 3.34Å; R293-H305 PolarHBondContact O-N 2.83Å; L295-H305 HydrophobicContact CD1-CB 3.89Å; L295-H305 HydrophobicContact CD2-CB 3.76Å; L295-H305 HydrophobicContact CG-CB 3.7Å; H305-E307 WeakPolarHBondContact NE2-CG 3.46Å; H305-E307 IonicContact NE2-OE1 3.75Å; H305-E307 PolarHBondContact NE2-OE1 3.39Å; H305-H473 AromaticContact CE1-CG 3.93Å; H305-H473 AromaticContact CE1-ND1 3.59Å; H305-H473 AromaticContact NE2-ND1 3.96Å; H305-I474 WeakPolarHBondContact CA-O 3.36Å; H305-Y578 HydrophobicContact CB-CE1 4.43Å; H305-Y578 AromaticContact ND1-CE1 3.58Å; H305-Y578 AromaticContact ND1-CZ 3.64Å; H305-Y578 PolarHBondContact ND1-OH 3.29Å
306	L	98.6	Very high	96.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.2	176.2	-60.1	87	0	0	0	110.4	T291 N292 M304 H473 I474 L497	T291-L306 CarbonylContact O-C 3.35Å; T291-L306 VanDerWaalsContact O-CA 3.23Å; T291-L306 WeakPolarHBondContact O-CA 3.36Å; N292-L306 HydrophobicContact CB-CG 4.39Å; M304-L306 HydrophobicContact CB-CD1 4.1Å; M304-L306 HydrophobicContact CE-CD1 3.93Å; M304-L306 HydrophobicContact CG-CD1 3.57Å; M304-L306 HydrophobicContact SD-CD1 3.79Å; L306-H473 CarbonylContact O-C 3.37Å; L306-H473 VanDerWaalsContact O-CA 3.26Å; L306-H473 WeakPolarHBondContact O-CA 3.47Å; L306-I474 HydrophobicContact CB-CB 4.32Å; L306-I474 HydrophobicContact CD1-CG2 4.41Å; L306-I474 PolarHBondContact N-O 3.37Å; L306-I474 PolarHBondContact O-N 2.82Å; L306-L497 HydrophobicContact CD2-CB 3.89Å; L306-L497 HydrophobicContact CD2-CD2 4.02Å; L306-L497 HydrophobicContact CD2-CG 4.38Å
307	E	98.6	Very high	96.5	Very high	43 Å²	43	56.9 Å²	56.9	20%	0.201	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.1	171.5	-60.9	179.2	169.2	0	0	108.8	T290 T291 H305 H473	T290-E307 PolarHBondContact N-O 3.47Å; T290-E307 WeakPolarHBondContact OG1-CB 3.37Å; T290-E307 PolarHBondContact OG1-O 2.82Å; T291-E307 WeakPolarHBondContact CB-OE2 3.46Å; T291-E307 HydrophobicContact CG2-CG 4.37Å; T291-E307 PolarHBondContact O-N 2.92Å; T291-E307 PolarHBondContact OG1-OE2 3.44Å; H305-E307 WeakPolarHBondContact NE2-CG 3.46Å; H305-E307 IonicContact NE2-OE1 3.75Å; H305-E307 PolarHBondContact NE2-OE1 3.39Å; E307-H473 IonicContact OE1-CE1 2.58Å; E307-H473 PolarHBondContact OE1-CE1 3.24Å; E307-H473 VanDerWaalsContact OE1-CE1 3.31Å; E307-H473 IonicContact OE1-ND1 3.44Å; E307-H473 IonicContact OE1-NE2 3.52Å
308	L	98.4	Very high	96.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.3	-178.5	-57.8	-172	0	0	0	109.2	A287 A288 V289 I310 V323 S471 V472 I474 V512 M514	A287-L308 HydrophobicContact CB-CB 3.85Å; A288-L308 WeakPolarHBondContact O-CA 3.44Å; V289-L308 HydrophobicContact CG2-CD2 3.8Å; L308-I310 PolarHBondContact O-N 3.15Å; L308-V323 HydrophobicContact CD1-CG2 4.46Å; L308-S471 CarbonylContact O-C 3.6Å; L308-S471 WeakPolarHBondContact O-CA 3.47Å; L308-V472 HydrophobicContact CB-CB 4.46Å; L308-V472 PolarHBondContact N-O 3.45Å; L308-V472 PolarHBondContact O-N 2.93Å; L308-I474 HydrophobicContact CD1-CD1 3.9Å; L308-I474 HydrophobicContact CG-CD1 4.48Å; L308-V512 HydrophobicContact CD1-CB 4.48Å; L308-V512 HydrophobicContact CD1-CG1 4.03Å; L308-V512 HydrophobicContact CD2-CB 4.16Å; L308-V512 HydrophobicContact CD2-CG1 4.44Å; L308-V512 HydrophobicContact CD2-CG2 4.14Å; L308-M514 HydrophobicContact CD1-CB 4.45Å; L308-M514 HydrophobicContact CD1-CG 4.13Å
309	D	97.7	Very high	97.1	Very high	51 Å²	51	55.7 Å²	55.7	27%	0.273	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.1	175.7	175.8	24.6	0	0	0	110.6	F285 A287 A288 T290 S311	F285-D309 WeakPolarHBondContact CE1-O 3.27Å; A287-D309 WeakPolarHBondContact CA-O 3.26Å; A287-D309 VanDerWaalsContact CB-O 3.29Å; A287-D309 WeakPolarHBondContact CB-O 3.4Å; A288-D309 HydrophobicContact CB-CB 4.38Å; A288-D309 PolarHBondContact O-N 2.53Å; T290-D309 HydrophobicContact CG2-CB 3.74Å; D309-S311 WeakPolarHBondContact OD1-CB 3.28Å; D309-S311 PolarHBondContact OD1-N 2.83Å; D309-S311 PolarHBondContact OD1-OG 3.34Å
310	I	98.1	Very high	97.4	Very high	3 Å²	3	49 Å²	49	2%	0.015	23%	0.226	C	C	.	.			trans	-113.7	20	178.1	61.5	157.2	0	0	0	112.2	F285 A287 L308 S313 I315 Y317 N470 V472 M514	F285-I310 HydrophobicContact CD1-CG2 4.29Å; F285-I310 HydrophobicContact CE1-CB 4.43Å; F285-I310 HydrophobicContact CE1-CG2 4.4Å; A287-I310 HydrophobicContact CB-CG2 4.26Å; L308-I310 PolarHBondContact O-N 3.15Å; I310-S313 WeakPolarHBondContact O-CB 3.48Å; I310-S313 PolarHBondContact O-N 3.04Å; I310-S313 PolarHBondContact O-OG 2.8Å; I310-I315 HydrophobicContact CD1-CB 4.26Å; I310-I315 HydrophobicContact CD1-CG2 4.17Å; I310-Y317 HydrophobicContact CD1-CD1 4.05Å; I310-Y317 HydrophobicContact CD1-CE1 4.13Å; I310-N470 WeakPolarHBondContact CG1-O 3.31Å; I310-N470 PolarHBondContact N-O 3.22Å; I310-V472 HydrophobicContact CD1-CG2 3.72Å; I310-V472 HydrophobicContact CG1-CG2 4.21Å; I310-V472 HydrophobicContact CG2-CG2 4.06Å; I310-M514 HydrophobicContact CG2-CE 4.28Å; I310-M514 HydrophobicContact CG2-SD 3.92Å
311	S	97	Very high	97.9	Very high	41 Å²	41	43.6 Å²	43.6	29%	0.287	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	143.5	171.6	-60.1	0	0	0	0	111.4	D309 S313	D309-S311 WeakPolarHBondContact OD1-CB 3.28Å; D309-S311 PolarHBondContact OD1-N 2.83Å; D309-S311 PolarHBondContact OD1-OG 3.34Å; S311-S313 PolarHBondContact O-N 2.64Å
312	D	95.9	Very high	98.1	Very high	157 Å²	157	41.8 Å²	41.8	84%	0.84	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	-6.3	-179.5	-55.4	-40.7	0	0	0	117.2	K314	D312-K314 PolarHBondContact O-N 3.29Å
313	S	97.4	Very high	98.1	Very high	3 Å²	3	40 Å²	40	2%	0.021	19%	0.187	C	C	.	.	S	Bend	trans	-67.9	-22.9	178.6	71.5	0	0	0	0	113.4	F279 I310 S311 I315	F279-S313 VanDerWaalsContact CD2-O 3.26Å; F279-S313 WeakPolarHBondContact CD2-O 3.17Å; F279-S313 WeakPolarHBondContact CE2-O 3.15Å; I310-S313 WeakPolarHBondContact O-CB 3.48Å; I310-S313 PolarHBondContact O-N 3.04Å; I310-S313 PolarHBondContact O-OG 2.8Å; S311-S313 PolarHBondContact O-N 2.64Å; S313-I315 PolarHBondContact O-N 3.16Å; S313-I315 VanDerWaalsContact OG-CB 3.3Å; S313-I315 WeakPolarHBondContact OG-CB 3.43Å; S313-I315 WeakPolarHBondContact OG-CG1 3.4Å; S313-I315 PolarHBondContact OG-N 3.49Å
314	K	98	Very high	98.1	Very high	172 Å²	172	39.9 Å²	39.9	75%	0.748	19%	0.186	S	C	*	.			trans	61.1	10.1	-167.2	-51.2	-178.2	179.6	-180	0	114.4	P277 D312	P277-K314 HydrophobicContact CG-CD 4.25Å; D312-K314 PolarHBondContact O-N 3.29Å
315	I	98.5	Very high	98.2	Very high	24 Å²	24	39.9 Å²	39.9	12%	0.123	19%	0.186	C	C	.	.			trans	-61.5	139.6	172.6	-67.9	171.7	0	0	0	108.8	F279 F285 I310 S313 M514 V516	F279-I315 HydrophobicContact CB-CD1 4.12Å; F279-I315 HydrophobicContact CB-CG1 4.29Å; F279-I315 HydrophobicContact CD2-CG1 4.41Å; F285-I315 HydrophobicContact CB-CD1 3.65Å; F285-I315 HydrophobicContact CD1-CD1 4.3Å; F285-I315 HydrophobicContact CG-CD1 4.12Å; I310-I315 HydrophobicContact CD1-CB 4.26Å; I310-I315 HydrophobicContact CD1-CG2 4.17Å; S313-I315 PolarHBondContact O-N 3.16Å; S313-I315 VanDerWaalsContact OG-CB 3.3Å; S313-I315 WeakPolarHBondContact OG-CB 3.43Å; S313-I315 WeakPolarHBondContact OG-CG1 3.4Å; S313-I315 PolarHBondContact OG-N 3.49Å; I315-M514 HydrophobicContact CD1-SD 3.97Å; I315-V516 HydrophobicContact CG2-CB 4.08Å; I315-V516 HydrophobicContact CG2-CG2 3.49Å; I315-V516 VanDerWaalsContact CG2-CG2 3.49Å
316	R	98.5	Very high	98.1	Very high	221 Å²	221	41.2 Å²	41.2	83%	0.834	19%	0.192	S	C	*	.			trans	-122.2	142.5	173.8	-63	-178.6	-178.5	-179	-0.2	108.5
317	Y	98.8	Very high	98.1	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.027	19%	0.192	C	C	.	.			trans	-145.7	161.6	175.1	77.3	-86.3	0	0	0	109.6	I310 I461 S463 S465 H468 S471 V472	I310-Y317 HydrophobicContact CD1-CD1 4.05Å; I310-Y317 HydrophobicContact CD1-CE1 4.13Å; Y317-I461 HydrophobicContact CD2-CD1 3.9Å; Y317-I461 HydrophobicContact CD2-CG2 3.84Å; Y317-I461 HydrophobicContact CE2-CG2 3.6Å; Y317-I461 HydrophobicContact CG-CD1 4.13Å; Y317-S463 PolarHBondContact OH-OG 2.75Å; Y317-S465 WeakPolarHBondContact O-CB 3.42Å; Y317-S465 PolarHBondContact O-OG 3.13Å; Y317-S465 PolarHBondContact OH-N 3.27Å; Y317-H468 PolarHBondContact OH-O 2.98Å; Y317-S471 PolarHBondContact OH-O 2.84Å; Y317-V472 HydrophobicContact CD1-CG2 3.92Å; Y317-V472 HydrophobicContact CE1-CG2 3.87Å; Y317-V472 HydrophobicContact CG-CG2 4.48Å
318	E	98.7	Very high	98.2	Very high	68 Å²	68	39.7 Å²	39.7	32%	0.318	19%	0.186	S	C	.	.			trans	-123.8	160.8	168.1	-63.7	-67.5	158.6	0	0	108.9	G320 D321 K466	E318-G320 PolarHBondContact O-N 3.48Å; E318-D321 PolarHBondContact N-OD2 2.8Å; E318-D321 VanDerWaalsContact O-CB 3.31Å; E318-D321 WeakPolarHBondContact O-CB 3.02Å; E318-D321 PolarHBondContact O-N 3.01Å; E318-D321 VanDerWaalsContact O-N 3.14Å; E318-K466 IonicContact OE1-NZ 2.69Å; E318-K466 PolarHBondContact OE1-NZ 3.19Å; E318-K466 WeakPolarHBondContact OE2-CE 3.26Å; E318-K466 IonicContact OE2-NZ 2.87Å; E318-K466 PolarHBondContact OE2-NZ 3.17Å
319	S	98.6	Very high	98.2	Very high	4 Å²	4	40 Å²	40	3%	0.028	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	138.5	174.2	-68.4	0	0	0	0	111.1	S463 S464 G545	S319-S463 PolarHBondContact OG-O 3.38Å; S319-S464 WeakPolarHBondContact OG-CA 3.39Å; S319-S464 VanDerWaalsContact OG-CB 3.28Å; S319-S464 WeakPolarHBondContact OG-CB 3.22Å; S319-G545 PolarHBondContact OG-O 3.02Å
320	G	97.1	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-9.1	-174.2	0	0	0	0	0	114.2	E318 S519 F521	E318-G320 PolarHBondContact O-N 3.48Å; G320-S519 VanDerWaalsContact C-OG 3.3Å; G320-S519 WeakPolarHBondContact O-CB 3.22Å; G320-S519 PolarHBondContact O-OG 3.14Å; G320-F521 WeakPolarHBondContact CA-O 3.46Å
321	D	98.4	Very high	98.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.011	22%	0.22	C	C	.	.			trans	-65.1	165.2	164.9	-77	-26.7	0	0	0	112.5	E318 I461 V516 K518 S519 R522	E318-D321 PolarHBondContact N-OD2 2.8Å; E318-D321 VanDerWaalsContact O-CB 3.31Å; E318-D321 WeakPolarHBondContact O-CB 3.02Å; E318-D321 PolarHBondContact O-N 3.01Å; E318-D321 VanDerWaalsContact O-N 3.14Å; D321-I461 HydrophobicContact CB-CD1 3.87Å; D321-I461 WeakPolarHBondContact O-CB 3.47Å; D321-I461 VanDerWaalsContact O-CG1 3.28Å; D321-I461 WeakPolarHBondContact O-CG1 3.33Å; D321-I461 PolarHBondContact O-N 3.18Å; D321-V516 HydrophobicContact CB-CG1 4.11Å; D321-K518 WeakPolarHBondContact OD1-CA 3.4Å; D321-S519 PolarHBondContact OD1-N 3.42Å; D321-R522 VanDerWaalsContact CG-NH2 3.27Å; D321-R522 IonicContact OD1-CZ 3.68Å; D321-R522 IonicContact OD1-NH1 3.72Å; D321-R522 PolarHBondContact OD1-NH1 3.3Å; D321-R522 IonicContact OD1-NH2 2.94Å; D321-R522 PolarHBondContact OD1-NH2 3.08Å; D321-R522 IonicContact OD2-CZ 3.65Å; D321-R522 IonicContact OD2-NH2 3.5Å; D321-R522 PolarHBondContact OD2-NH2 3.27Å
322	H	98.4	Very high	98.3	Very high	36 Å²	36	45.1 Å²	45.1	17%	0.167	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144	176.2	-53.7	108	0	0	0	111	Y458 Y459 V516 R517 D677	H322-Y458 HydrophobicContact CB-CD1 4.18Å; H322-Y459 CarbonylContact C-O 3.59Å; H322-Y459 WeakPolarHBondContact CA-O 3.18Å; H322-V516 WeakPolarHBondContact O-CA 3.47Å; H322-R517 PolarHBondContact N-O 2.82Å; H322-R517 VanDerWaalsContact N-O 3.07Å; H322-R517 PolarHBondContact O-N 3.17Å; H322-D677 IonicContact CD2-OD1 3.74Å; H322-D677 IonicContact CE1-OD1 3.77Å; H322-D677 IonicContact NE2-OD1 3.62Å; H322-D677 PolarHBondContact NE2-OD1 3.18Å; H322-D677 IonicContact NE2-OD2 3.11Å
323	V	98.8	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.9	165.7	51.9	0	0	0	0	109.3	L308 V325 Y458 Y459 I461 V472 I474 M514	L308-V323 HydrophobicContact CD1-CG2 4.46Å; V323-V325 HydrophobicContact CG2-CG1 4.21Å; V323-Y458 CarbonylContact O-C 3.58Å; V323-Y458 WeakPolarHBondContact O-CA 3.4Å; V323-Y459 WeakPolarHBondContact CG1-O 3.3Å; V323-Y459 PolarHBondContact N-O 3.5Å; V323-Y459 PolarHBondContact O-N 2.91Å; V323-I461 HydrophobicContact CB-CD1 4.3Å; V323-I461 HydrophobicContact CB-CG1 3.98Å; V323-I461 HydrophobicContact CG1-CG1 3.9Å; V323-V472 HydrophobicContact CB-CG1 3.8Å; V323-V472 HydrophobicContact CG1-CG1 3.82Å; V323-V472 HydrophobicContact CG2-CG1 4.15Å; V323-I474 HydrophobicContact CG1-CD1 3.76Å; V323-I474 HydrophobicContact CG1-CG1 3.58Å; V323-M514 HydrophobicContact CB-CE 4.23Å; V323-M514 HydrophobicContact CG2-CB 3.98Å; V323-M514 HydrophobicContact CG2-CE 3.34Å
324	A	98.4	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.8	172.5	0	0	0	0	0	109.6	A456 R457 Y458 M514 F515	A324-A456 HydrophobicContact CB-CB 4.22Å; A324-R457 WeakPolarHBondContact CA-O 3.33Å; A324-Y458 HydrophobicContact CB-CD1 3.73Å; A324-Y458 HydrophobicContact CB-CE1 3.6Å; A324-Y458 HydrophobicContact CB-CG 4.36Å; A324-M514 CarbonylContact O-C 3.57Å; A324-M514 WeakPolarHBondContact O-CA 3.46Å; A324-M514 VanDerWaalsContact O-CB 3.32Å; A324-M514 WeakPolarHBondContact O-CB 3.37Å; A324-F515 HydrophobicContact CB-CD1 3.88Å; A324-F515 HydrophobicContact CB-CD2 4.12Å; A324-F515 HydrophobicContact CB-CE1 3.39Å; A324-F515 HydrophobicContact CB-CE2 3.66Å; A324-F515 HydrophobicContact CB-CG 4.22Å; A324-F515 HydrophobicContact CB-CZ 3.27Å; A324-F515 PolarHBondContact N-O 2.95Å; A324-F515 PolarHBondContact O-N 3.23Å
325	V	98.6	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.5	176.9	-52.2	0	0	0	0	110.8	V323 P327 A456 R457 Y459 I474 A493 W496 L497 V512 P513 M514	V323-V325 HydrophobicContact CG2-CG1 4.21Å; V325-P327 WeakPolarHBondContact O-CD 3.45Å; V325-A456 CarbonylContact O-C 3.6Å; V325-A456 WeakPolarHBondContact O-CA 3.36Å; V325-A456 WeakPolarHBondContact O-CB 3.29Å; V325-R457 HydrophobicContact CG2-CB 4.46Å; V325-R457 PolarHBondContact N-O 3.34Å; V325-R457 PolarHBondContact O-N 3.45Å; V325-Y459 HydrophobicContact CG2-CD2 4.4Å; V325-Y459 HydrophobicContact CG2-CE2 3.76Å; V325-I474 HydrophobicContact CG1-CD1 4.25Å; V325-A493 HydrophobicContact CG2-CB 4.49Å; V325-W496 HydrophobicContact CG2-CZ3 4.5Å; V325-L497 HydrophobicContact CG2-CD1 4.42Å; V325-V512 HydrophobicContact CB-CG1 4.04Å; V325-V512 HydrophobicContact CG1-CG1 3.79Å; V325-P513 WeakPolarHBondContact CA-O 3.14Å; V325-M514 HydrophobicContact CG1-CB 4.2Å
326	Y	98.6	Very high	98.6	Very high	34 Å²	34	37.5 Å²	37.5	13%	0.133	19%	0.189	C	C	.	.			trans	-92.1	109.8	169	-74.5	-75	0	0	0	109.9	M266 A281 P284 A456 W496 P513 F515	M266-Y326 HydrophobicContact CE-CD1 3.4Å; M266-Y326 VanDerWaalsContact CE-CD1 3.4Å; M266-Y326 HydrophobicContact CE-CE1 4.07Å; M266-Y326 HydrophobicContact CE-CG 3.69Å; M266-Y326 HydrophobicContact CG-CD1 4.1Å; M266-Y326 HydrophobicContact CG-CD2 4.09Å; M266-Y326 HydrophobicContact CG-CE1 4.06Å; M266-Y326 HydrophobicContact CG-CE2 4.05Å; M266-Y326 HydrophobicContact CG-CG 4.11Å; M266-Y326 HydrophobicContact SD-CD1 3.84Å; M266-Y326 HydrophobicContact SD-CE1 3.87Å; M266-Y326 HydrophobicContact SD-CG 4.36Å; A281-Y326 WeakPolarHBondContact O-CE2 3.5Å; A281-Y326 PolarHBondContact O-OH 2.63Å; P284-Y326 HydrophobicContact CB-CD2 3.99Å; P284-Y326 HydrophobicContact CB-CE2 4.16Å; P284-Y326 HydrophobicContact CG-CD2 3.86Å; P284-Y326 HydrophobicContact CG-CE2 4.07Å; Y326-A456 HydrophobicContact CD1-CB 3.96Å; Y326-A456 HydrophobicContact CE1-CB 3.78Å; Y326-A456 HydrophobicContact CE2-CB 4.44Å; Y326-A456 HydrophobicContact CG-CB 4.37Å; Y326-W496 WeakPolarHBondContact O-CH2 3.23Å; Y326-P513 PolarHBondContact N-O 2.75Å; Y326-F515 HydrophobicContact CD2-CE1 4.48Å; Y326-F515 AromaticContact CE2-CD1 4Å; Y326-F515 HydrophobicContact CE2-CD1 4Å; Y326-F515 AromaticContact CE2-CE1 3.68Å; Y326-F515 HydrophobicContact CE2-CE1 3.68Å
327	P	98.6	Very high	98.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.149	C	C	.	.			trans	-87	178.2	-176.6	38.9	-38	0	0	0	112.1	V325 L454 V492 A493 W496	V325-P327 WeakPolarHBondContact O-CD 3.45Å; P327-L454 HydrophobicContact CG-CD2 4.26Å; P327-L454 HydrophobicContact CG-CG 4.49Å; P327-L454 WeakPolarHBondContact O-CD2 3.35Å; P327-V492 HydrophobicContact CB-CG1 4.02Å; P327-V492 HydrophobicContact CG-CG1 3.86Å; P327-A493 HydrophobicContact CB-CB 3.91Å; P327-A493 HydrophobicContact CG-CB 4.09Å; P327-W496 HydrophobicContact CB-CB 4.38Å; P327-W496 HydrophobicContact CB-CD2 4.18Å; P327-W496 HydrophobicContact CB-CE3 4.01Å; P327-W496 HydrophobicContact CB-CG 4.36Å
328	A	98.8	Very high	98.5	Very high	10 Å²	10	26.8 Å²	26.8	8%	0.083	15%	0.149	C	C	.	.			trans	-117.9	140.7	167.2	0	0	0	0	0	110	T375 Y376 W496	A328-T375 CarbonylContact C-O 3.59Å; A328-T375 WeakPolarHBondContact CA-O 3.12Å; A328-T375 HydrophobicContact CB-CG2 3.87Å; A328-Y376 HydrophobicContact CB-CD1 3.87Å; A328-Y376 HydrophobicContact CB-CE1 3.55Å; A328-W496 HydrophobicContact CB-CG 4.46Å
329	N	98.9	Very high	98.5	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.037	17%	0.172	C	C	.	.			trans	-63.6	158.1	170.9	-72.4	-51.8	0	0	0	111.6	S331 V334 L374 T375 L378 I380 V492	N329-S331 PolarHBondContact O-N 2.87Å; N329-V334 HydrophobicContact CB-CG2 4.19Å; N329-L374 PolarHBondContact ND2-O 2.84Å; N329-T375 PolarHBondContact N-O 2.83Å; N329-L378 PolarHBondContact ND2-O 3Å; N329-I380 HydrophobicContact CB-CD1 3.89Å; N329-I380 HydrophobicContact CB-CG1 4.19Å; N329-V492 WeakPolarHBondContact OD1-CG1 3.43Å; N329-V492 WeakPolarHBondContact OD1-CG2 3.48Å
330	D	98.6	Very high	98.5	Very high	77 Å²	77	33.7 Å²	33.7	41%	0.412	18%	0.179	S	C	.	.			trans	-62.6	122.3	176	-170.9	-26.1	0	0	0	110.2	A332 L333 V334	D330-A332 PolarHBondContact O-N 2.92Å; D330-A332 WeakPolarHBondContact OD1-CB 3.21Å; D330-A332 PolarHBondContact OD1-N 3.4Å; D330-L333 HydrophobicContact CB-CB 4.15Å; D330-L333 WeakPolarHBondContact O-CB 3.48Å; D330-L333 PolarHBondContact O-N 2.82Å; D330-V334 PolarHBondContact O-N 3.4Å; D330-V334 VanDerWaalsContact O-N 3.08Å
331	S	98.4	Very high	98.6	Very high	77 Å²	77	35 Å²	35	54%	0.538	19%	0.186	S	C	.	.	H	α-helix	trans	-56.1	-32.9	177.9	65.7	0	0	0	0	113.1	N329 V334 N335	N329-S331 PolarHBondContact O-N 2.87Å; S331-V334 PolarHBondContact O-N 2.89Å; S331-N335 VanDerWaalsContact O-CB 3.32Å; S331-N335 WeakPolarHBondContact O-CB 3.44Å; S331-N335 PolarHBondContact O-N 3.12Å; S331-N335 PolarHBondContact O-ND2 2.85Å
332	A	98.5	Very high	98.6	Very high	47 Å²	47	38.3 Å²	38.3	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-41.5	176.9	0	0	0	0	0	111.2	D330 N335 Q336	D330-A332 PolarHBondContact O-N 2.92Å; D330-A332 WeakPolarHBondContact OD1-CB 3.21Å; D330-A332 PolarHBondContact OD1-N 3.4Å; A332-N335 PolarHBondContact O-N 3.05Å; A332-Q336 WeakPolarHBondContact O-CB 3.45Å; A332-Q336 VanDerWaalsContact O-CG 3.28Å; A332-Q336 WeakPolarHBondContact O-CG 3.5Å; A332-Q336 PolarHBondContact O-N 3.02Å
333	L	98.6	Very high	98.6	Very high	24 Å²	24	38 Å²	38	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-44.3	177.7	-172.8	70.2	0	0	0	111.1	D330 Q336 L337 I380 T381 L431	D330-L333 HydrophobicContact CB-CB 4.15Å; D330-L333 WeakPolarHBondContact O-CB 3.48Å; D330-L333 PolarHBondContact O-N 2.82Å; L333-Q336 PolarHBondContact O-N 3.34Å; L333-L337 PolarHBondContact O-N 3.07Å; L333-I380 HydrophobicContact CB-CD1 4.41Å; L333-I380 HydrophobicContact CD2-CD1 3.63Å; L333-I380 HydrophobicContact CD2-CG1 3.75Å; L333-I380 HydrophobicContact CG-CD1 3.89Å; L333-I380 HydrophobicContact CG-CG1 4.48Å; L333-T381 HydrophobicContact CD2-CG2 3.8Å; L333-L431 HydrophobicContact CD1-CB 4.05Å; L333-L431 HydrophobicContact CD1-CD2 3.42Å; L333-L431 VanDerWaalsContact CD1-CD2 3.42Å; L333-L431 HydrophobicContact CD1-CG 4.37Å
334	V	98.9	Very high	98.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-47.1	175.2	173.7	0	0	0	0	111.2	N329 D330 S331 Q336 L337 G338 L345 R371 L374 I380	N329-V334 HydrophobicContact CB-CG2 4.19Å; D330-V334 PolarHBondContact O-N 3.4Å; D330-V334 VanDerWaalsContact O-N 3.08Å; S331-V334 PolarHBondContact O-N 2.89Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.89Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 3.41Å; V334-G338 PolarHBondContact O-N 3.07Å; V334-G338 VanDerWaalsContact O-N 3.08Å; V334-L345 HydrophobicContact CG1-CD1 3.97Å; V334-L345 WeakPolarHBondContact O-CD1 3.49Å; V334-R371 HydrophobicContact CG1-CG 4.47Å; V334-L374 HydrophobicContact CG1-CB 3.9Å; V334-L374 HydrophobicContact CG1-CD1 4.35Å; V334-L374 HydrophobicContact CG2-CB 4.12Å; V334-I380 HydrophobicContact CG2-CD1 3.81Å
335	N	98.8	Very high	98.6	Very high	74 Å²	74	43.2 Å²	43.2	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-40.8	178	-73.9	-31.2	0	0	0	112.4	S331 A332 L337 G338 K339 R371	S331-N335 VanDerWaalsContact O-CB 3.32Å; S331-N335 WeakPolarHBondContact O-CB 3.44Å; S331-N335 PolarHBondContact O-N 3.12Å; S331-N335 PolarHBondContact O-ND2 2.85Å; A332-N335 PolarHBondContact O-N 3.05Å; N335-L337 VanDerWaalsContact C-N 3.34Å; N335-G338 PolarHBondContact O-N 3.06Å; N335-K339 WeakPolarHBondContact O-CB 3.43Å; N335-K339 PolarHBondContact O-N 2.81Å; N335-R371 PolarHBondContact OD1-NH1 3.09Å
336	Q	98.7	Very high	98.6	Very high	98 Å²	98	47.4 Å²	47.4	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-36.9	176.6	-75.2	176.7	-41.7	0	0	112.2	A332 L333 V334 K339 I340 L431	A332-Q336 WeakPolarHBondContact O-CB 3.45Å; A332-Q336 VanDerWaalsContact O-CG 3.28Å; A332-Q336 WeakPolarHBondContact O-CG 3.5Å; A332-Q336 PolarHBondContact O-N 3.02Å; L333-Q336 PolarHBondContact O-N 3.34Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.89Å; Q336-K339 PolarHBondContact O-N 2.82Å; Q336-I340 WeakPolarHBondContact O-CG2 3.33Å; Q336-I340 PolarHBondContact O-N 3.05Å; Q336-L431 HydrophobicContact CB-CD1 4.21Å; Q336-L431 HydrophobicContact CB-CD2 3.62Å; Q336-L431 HydrophobicContact CG-CD2 4.49Å
337	L	98.5	Very high	98.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-49.2	173.4	-81.2	170.8	0	0	0	112.2	L333 V334 N335 K339 I340 L341 I380 I430 L431 L434	L333-L337 PolarHBondContact O-N 3.07Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 3.41Å; N335-L337 VanDerWaalsContact C-N 3.34Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 3.42Å; L337-I340 WeakPolarHBondContact O-CG2 3.19Å; L337-I340 PolarHBondContact O-N 3.41Å; L337-L341 WeakPolarHBondContact O-CB 3.27Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.47Å; L337-I380 HydrophobicContact CD1-CB 3.93Å; L337-I380 HydrophobicContact CD1-CD1 3.79Å; L337-I380 HydrophobicContact CD1-CG1 4.44Å; L337-I380 HydrophobicContact CD1-CG2 3.93Å; L337-I430 HydrophobicContact CD1-CG2 4.23Å; L337-I430 HydrophobicContact CD2-CG2 4.19Å; L337-L431 HydrophobicContact CD2-CB 3.77Å; L337-L431 HydrophobicContact CD2-CD1 3.94Å; L337-L431 HydrophobicContact CD2-CG 4.45Å; L337-L431 HydrophobicContact CG-CB 4.09Å; L337-L431 HydrophobicContact CG-CD1 4.24Å; L337-L434 HydrophobicContact CD2-CD1 3.64Å
338	G	98.4	Very high	98.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-43.8	175.7	0	0	0	0	0	112.2	V334 N335 L341 G342 A343	V334-G338 PolarHBondContact O-N 3.07Å; V334-G338 VanDerWaalsContact O-N 3.08Å; N335-G338 PolarHBondContact O-N 3.06Å; G338-L341 PolarHBondContact O-N 3.27Å; G338-G342 PolarHBondContact O-N 3.15Å; G338-A343 PolarHBondContact O-N 3.38Å
339	K	98.6	Very high	98.5	Very high	183 Å²	183	48.8 Å²	48.8	80%	0.796	29%	0.285	S	S	*	.	H	α-helix	trans	-63.3	-44.8	179.4	-176.1	174.6	-179.8	177.7	0	113.1	N335 Q336 L337 L341 G342	N335-K339 WeakPolarHBondContact O-CB 3.43Å; N335-K339 PolarHBondContact O-N 2.81Å; Q336-K339 PolarHBondContact O-N 2.82Å; L337-K339 VanDerWaalsContact C-N 3.3Å; L337-K339 PolarHBondContact O-N 3.42Å; K339-L341 VanDerWaalsContact C-N 3.34Å; K339-G342 PolarHBondContact O-N 3.26Å
340	I	98.5	Very high	98.5	Very high	34 Å²	34	48.7 Å²	48.7	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-71	-31.7	-179.8	-161.1	165.9	0	0	0	111.4	Q336 L337 G342 L431 L434 Q435 R441	Q336-I340 WeakPolarHBondContact O-CG2 3.33Å; Q336-I340 PolarHBondContact O-N 3.05Å; L337-I340 WeakPolarHBondContact O-CG2 3.19Å; L337-I340 PolarHBondContact O-N 3.41Å; I340-G342 VanDerWaalsContact C-N 3.3Å; I340-L431 HydrophobicContact CD1-CD1 4.49Å; I340-L431 HydrophobicContact CG2-CD1 3.86Å; I340-L434 HydrophobicContact CD1-CB 4Å; I340-L434 WeakPolarHBondContact CD1-O 3.41Å; I340-L434 HydrophobicContact CG2-CB 4.27Å; I340-L434 HydrophobicContact CG2-CD1 4.07Å; I340-Q435 HydrophobicContact CD1-CB 4.47Å; I340-Q435 HydrophobicContact CD1-CG 3.76Å; I340-R441 VanDerWaalsContact CG1-NH1 3.27Å; I340-R441 PolarHBondContact O-NH1 3.12Å
341	L	98.3	Very high	98.5	Very high	29 Å²	29	45 Å²	45	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-80.9	-11	175.8	-62.5	175.5	0	0	0	113.2	L337 G338 K339 A343 L434 P442 I444 L447	L337-L341 WeakPolarHBondContact O-CB 3.27Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.47Å; G338-L341 PolarHBondContact O-N 3.27Å; K339-L341 VanDerWaalsContact C-N 3.34Å; L341-A343 HydrophobicContact CB-CB 4.39Å; L341-A343 PolarHBondContact O-N 2.88Å; L341-L434 HydrophobicContact CD2-CD1 3.94Å; L341-L434 HydrophobicContact CD2-CD2 4.07Å; L341-L434 HydrophobicContact CG-CD1 4.36Å; L341-P442 HydrophobicContact CD2-CG 3.93Å; L341-I444 HydrophobicContact CD1-CB 4.27Å; L341-I444 HydrophobicContact CD1-CG1 4.21Å; L341-L447 HydrophobicContact CD1-CD2 3.68Å
342	G	98.2	Very high	98.5	Very high	71 Å²	71	43.4 Å²	43.4	73%	0.732	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	28.3	-175.7	0	0	0	0	0	113	G338 K339 I340	G338-G342 PolarHBondContact O-N 3.15Å; K339-G342 PolarHBondContact O-N 3.26Å; I340-G342 VanDerWaalsContact C-N 3.3Å
343	A	98.1	Very high	98.2	Very high	28 Å²	28	42 Å²	42	23%	0.231	24%	0.236	C	C	.	.			trans	-103.3	142.6	-176.3	0	0	0	0	0	111.7	G338 L341 L345 I444	G338-A343 PolarHBondContact O-N 3.38Å; L341-A343 HydrophobicContact CB-CB 4.39Å; L341-A343 PolarHBondContact O-N 2.88Å; A343-L345 PolarHBondContact O-N 2.76Å; A343-I444 HydrophobicContact CB-CB 3.9Å; A343-I444 HydrophobicContact CB-CD1 3.74Å; A343-I444 HydrophobicContact CB-CG1 4.43Å; A343-I444 HydrophobicContact CB-CG2 3.76Å
344	D	98.4	Very high	97.9	Very high	102 Å²	102	45.6 Å²	45.6	55%	0.545	26%	0.255	S	S	.	.			trans	-78	112.1	167.9	-178.3	-0.8	0	0	0	109.5	D346 V347	D344-D346 VanDerWaalsContact C-N 3.26Å; D344-D346 PolarHBondContact O-N 3.24Å; D344-D346 PolarHBondContact OD1-N 3.29Å; D344-V347 HydrophobicContact CB-CG2 3.81Å
345	L	98.8	Very high	97.3	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.042	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.7	-175.4	-64.1	-176	0	0	0	113.4	V334 A343 V347 Y370 R371 L374 I444	V334-L345 HydrophobicContact CG1-CD1 3.97Å; V334-L345 WeakPolarHBondContact O-CD1 3.49Å; A343-L345 PolarHBondContact O-N 2.76Å; L345-V347 VanDerWaalsContact C-N 3.35Å; L345-Y370 PolarHBondContact O-N 3.37Å; L345-R371 HydrophobicContact CB-CB 3.96Å; L345-R371 WeakPolarHBondContact O-CB 3.36Å; L345-R371 PolarHBondContact O-N 2.76Å; L345-L374 HydrophobicContact CD2-CD1 3.96Å; L345-I444 HydrophobicContact CD2-CD1 3.43Å; L345-I444 VanDerWaalsContact CD2-CD1 3.43Å
346	D	98.4	Very high	96.8	Very high	88 Å²	88	52.3 Å²	52.3	47%	0.471	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.4	-175.4	-64.6	-55.2	0	0	0	112.5	D344 V348 R371	D344-D346 VanDerWaalsContact C-N 3.26Å; D344-D346 PolarHBondContact O-N 3.24Å; D344-D346 PolarHBondContact OD1-N 3.29Å; D346-V348 PolarHBondContact O-N 3.4Å; D346-R371 IonicContact OD1-CZ 2.91Å; D346-R371 IonicContact OD1-NE 3.37Å; D346-R371 PolarHBondContact OD1-NE 3.2Å; D346-R371 IonicContact OD1-NH2 2.75Å; D346-R371 IonicContact OD2-CZ 3.95Å; D346-R371 IonicContact OD2-NE 3.52Å; D346-R371 PolarHBondContact OD2-NE 3.49Å; D346-R371 IonicContact OD2-NH2 3.09Å; D346-R371 PolarHBondContact OD2-NH2 3.07Å
347	V	98.5	Very high	96.1	Very high	44 Å²	44	51.3 Å²	51.3	27%	0.267	28%	0.281	S	S	.	.			trans	-58.8	124.2	169.5	173.4	0	0	0	0	110.2	V252 D344 L345 S369 Y370	V252-V347 HydrophobicContact CG1-CG1 3.73Å; V252-V347 HydrophobicContact CG2-CG1 4.45Å; D344-V347 HydrophobicContact CB-CG2 3.81Å; L345-V347 VanDerWaalsContact C-N 3.35Å; V347-S369 VanDerWaalsContact O-CA 3.25Å; V347-S369 WeakPolarHBondContact O-CA 3.33Å; V347-Y370 HydrophobicContact CB-CD2 4.17Å; V347-Y370 HydrophobicContact CB-CE2 4.06Å; V347-Y370 HydrophobicContact CG1-CE2 4.14Å
348	V	98.7	Very high	95.5	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.188	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.6	174.3	-176.9	0	0	0	0	109.6	H253 I256 V261 D346 P367	H253-V348 HydrophobicContact CB-CG1 4.35Å; H253-V348 PolarHBondContact N-O 3.3Å; I256-V348 HydrophobicContact CG2-CB 4.25Å; I256-V348 HydrophobicContact CG2-CG1 3.77Å; V261-V348 HydrophobicContact CG1-CG1 3.88Å; V261-V348 HydrophobicContact CG1-CG2 4.32Å; V261-V348 HydrophobicContact CG2-CG1 3.87Å; D346-V348 PolarHBondContact O-N 3.4Å; V348-P367 HydrophobicContact CG1-CB 4.16Å
349	M	98.6	Very high	94.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	171.5	-174.7	63.7	84.8	-139.1	0	0	112.4	L250 V251 L351 F364 P367 T368 Y370	L250-M349 HydrophobicContact CD1-CB 3.74Å; L250-M349 HydrophobicContact CD1-CG 4.09Å; L250-M349 HydrophobicContact CD1-SD 4.06Å; V251-M349 CarbonylContact O-C 3.48Å; V251-M349 WeakPolarHBondContact O-CA 3.23Å; V251-M349 WeakPolarHBondContact O-CB 3.31Å; M349-L351 HydrophobicContact SD-CG 4.05Å; M349-F364 HydrophobicContact CE-CE2 3.69Å; M349-F364 HydrophobicContact CE-CZ 3.88Å; M349-P367 VanDerWaalsContact O-CA 3.31Å; M349-P367 WeakPolarHBondContact O-CA 3.15Å; M349-T368 HydrophobicContact CE-CG2 3.72Å; M349-T368 PolarHBondContact N-O 3.03Å; M349-T368 PolarHBondContact O-N 3Å; M349-T368 VanDerWaalsContact O-O 3.13Å; M349-Y370 HydrophobicContact CE-CD1 4.26Å; M349-Y370 HydrophobicContact CE-CE1 4.23Å; M349-Y370 HydrophobicContact CG-CD1 4.2Å; M349-Y370 HydrophobicContact CG-CE1 3.64Å; M349-Y370 HydrophobicContact CG-CE2 4.15Å; M349-Y370 HydrophobicContact SD-CD1 4.48Å; M349-Y370 HydrophobicContact SD-CE1 3.87Å
350	S	98.6	Very high	94.2	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.028	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.9	167.9	-58.7	0	0	0	0	109.5	V251 H253 N352 P367	V251-S350 PolarHBondContact N-O 3.2Å; V251-S350 PolarHBondContact O-N 2.81Å; H253-S350 PolarHBondContact NE2-OG 3.13Å; S350-N352 WeakPolarHBondContact CB-OD1 3.32Å; S350-P367 VanDerWaalsContact OG-CA 3.32Å; S350-P367 WeakPolarHBondContact OG-CA 3.13Å; S350-P367 WeakPolarHBondContact OG-CB 3.28Å; S350-P367 WeakPolarHBondContact OG-CG 3.38Å
351	L	98.3	Very high	93.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	97	169.9	-77.1	174.5	0	0	0	107.6	Y248 E249 L250 M349 H362 P363 F364 D445 C448 E449	Y248-L351 HydrophobicContact CD1-CB 4.42Å; Y248-L351 WeakPolarHBondContact CD1-O 3.41Å; Y248-L351 HydrophobicContact CG-CB 4.28Å; E249-L351 CarbonylContact O-C 3.59Å; E249-L351 VanDerWaalsContact O-CA 3.31Å; E249-L351 WeakPolarHBondContact O-CA 3.35Å; L250-L351 HydrophobicContact CB-CD2 4.34Å; L250-L351 HydrophobicContact CD1-CD2 4.42Å; M349-L351 HydrophobicContact SD-CG 4.05Å; L351-H362 WeakPolarHBondContact O-CA 3.11Å; L351-H362 PolarHBondContact O-CD2 3Å; L351-H362 VanDerWaalsContact O-CD2 3.31Å; L351-P363 HydrophobicContact CB-CG 3.75Å; L351-P363 HydrophobicContact CD1-CG 3.79Å; L351-P363 HydrophobicContact CG-CG 4.44Å; L351-P363 VanDerWaalsContact O-CD 3.28Å; L351-P363 WeakPolarHBondContact O-CD 3.32Å; L351-F364 HydrophobicContact CD1-CE1 4.25Å; L351-F364 HydrophobicContact CD1-CZ 3.98Å; L351-D445 HydrophobicContact CD2-CB 4.24Å; L351-C448 HydrophobicContact CD1-CB 4.2Å; L351-E449 HydrophobicContact CD1-CB 4.25Å
352	N	97.4	Very high	93.8	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.6	-176.7	-53.1	-26.8	0	0	0	109.6	Y248 E249 V251 S350 L354 K361 H362	Y248-N352 CarbonylContact C-O 3.27Å; Y248-N352 WeakPolarHBondContact CA-O 3.47Å; E249-N352 HydrophobicContact CG-CB 3.86Å; E249-N352 WeakPolarHBondContact CG-O 3.31Å; E249-N352 PolarHBondContact N-O 3Å; E249-N352 PolarHBondContact O-N 3.39Å; E249-N352 PolarHBondContact OE1-ND2 3.25Å; V251-N352 VanDerWaalsContact CG2-ND2 3.31Å; V251-N352 WeakPolarHBondContact CG2-ND2 3.38Å; S350-N352 WeakPolarHBondContact CB-OD1 3.32Å; N352-L354 PolarHBondContact O-N 3.25Å; N352-K361 WeakPolarHBondContact CA-O 3.5Å; N352-H362 PolarHBondContact OD1-NE2 3.2Å
353	N	93.3	Very high	93.6	Very high	16 Å²	16	52.7 Å²	52.7	9%	0.086	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.6	179.9	-161.9	-25.5	0	0	0	109.8	Q247 Y248 D355 S358 K360 K361	Q247-N353 PolarHBondContact O-OD1 3.02Å; Y248-N353 VanDerWaalsContact CD1-CA 3.49Å; Y248-N353 HydrophobicContact CD1-CB 3.89Å; Y248-N353 HydrophobicContact CE1-CB 3.73Å; N353-D355 PolarHBondContact O-N 3.33Å; N353-D355 WeakPolarHBondContact OD1-CB 3.35Å; N353-D355 PolarHBondContact OD1-N 3.5Å; N353-D355 VanDerWaalsContact OD1-N 3.08Å; N353-S358 WeakPolarHBondContact ND2-CB 3.36Å; N353-S358 PolarHBondContact ND2-OG 3.37Å; N353-K360 WeakPolarHBondContact CB-O 3.24Å; N353-K360 PolarHBondContact ND2-O 2.87Å; N353-K361 PolarHBondContact N-O 3.46Å
354	L	91.8	Very high	93.6	Very high	101 Å²	101	51.6 Å²	51.6	53%	0.529	26%	0.263	S	S	.	.	S	Bend	trans	-64.4	-21.8	176.2	-71.4	172.1	0	0	0	111.9	R246 Q247 E249 N352 E356	R246-L354 WeakPolarHBondContact O-CD1 3.31Å; Q247-L354 PolarHBondContact O-N 2.99Å; E249-L354 HydrophobicContact CB-CD2 3.84Å; E249-L354 HydrophobicContact CB-CG 4.47Å; E249-L354 HydrophobicContact CG-CD2 4.07Å; N352-L354 PolarHBondContact O-N 3.25Å; L354-E356 PolarHBondContact O-N 2.88Å
355	D	87.1	Confident	93.5	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.251	24%	0.242	S	C	.	.			trans	-83.2	91.1	167.2	174.9	30.9	0	0	0	110.8	R81 N353 E357 S358	R81-D355 IonicContact CZ-OD1 2.76Å; R81-D355 IonicContact CZ-OD2 3.48Å; R81-D355 IonicContact NH1-OD1 2.82Å; R81-D355 IonicContact NH1-OD2 3.71Å; R81-D355 IonicContact NH2-OD1 3.9Å; R81-D355 PolarHBondContact NH2-OD1 3.24Å; R81-D355 IonicContact NH2-OD2 3.67Å; R81-D355 PolarHBondContact NH2-OD2 3.11Å; N353-D355 PolarHBondContact O-N 3.33Å; N353-D355 WeakPolarHBondContact OD1-CB 3.35Å; N353-D355 PolarHBondContact OD1-N 3.5Å; N353-D355 VanDerWaalsContact OD1-N 3.08Å; D355-E357 PolarHBondContact O-N 3.1Å; D355-E357 VanDerWaalsContact O-N 3.08Å; D355-E357 PolarHBondContact OD1-N 3.47Å; D355-S358 VanDerWaalsContact O-CB 3.26Å; D355-S358 WeakPolarHBondContact O-CB 3.36Å; D355-S358 PolarHBondContact O-N 3.02Å; D355-S358 VanDerWaalsContact OD2-CB 3.27Å; D355-S358 WeakPolarHBondContact OD2-CB 3.39Å; D355-S358 PolarHBondContact OD2-N 3.49Å
356	E	87.6	Confident	93.5	Very high	168 Å²	168	47.6 Å²	47.6	79%	0.785	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.5	-179.7	-66.6	-172.7	178.2	0	0	113.5	L354 K361	L354-E356 PolarHBondContact O-N 2.88Å; E356-K361 PolarHBondContact O-NZ 3.42Å
357	E	84.4	Confident	93.5	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-5.6	-179.1	-64.8	-83.3	164.4	0	0	112.5	K75 K78 T79 D355	K75-E357 VanDerWaalsContact CE-O 3.28Å; K75-E357 WeakPolarHBondContact CE-O 3.47Å; K75-E357 PolarHBondContact NZ-O 2.9Å; K78-E357 IonicContact NZ-OE1 2.75Å; K78-E357 PolarHBondContact NZ-OE1 2.98Å; K78-E357 IonicContact NZ-OE2 2.87Å; K78-E357 PolarHBondContact NZ-OE2 2.63Å; T79-E357 HydrophobicContact CG2-CB 3.5Å; T79-E357 HydrophobicContact CG2-CG 3.68Å; D355-E357 PolarHBondContact O-N 3.1Å; D355-E357 VanDerWaalsContact O-N 3.08Å; D355-E357 PolarHBondContact OD1-N 3.47Å
358	S	85	Confident	93.5	Very high	24 Å²	24	42.6 Å²	42.6	17%	0.168	22%	0.216	C	C	.	.			trans	-66.6	141.8	172.7	-165.2	0	0	0	0	111.3	N353 D355 K360 K361	N353-S358 WeakPolarHBondContact ND2-CB 3.36Å; N353-S358 PolarHBondContact ND2-OG 3.37Å; D355-S358 VanDerWaalsContact O-CB 3.26Å; D355-S358 WeakPolarHBondContact O-CB 3.36Å; D355-S358 PolarHBondContact O-N 3.02Å; D355-S358 VanDerWaalsContact OD2-CB 3.27Å; D355-S358 WeakPolarHBondContact OD2-CB 3.39Å; D355-S358 PolarHBondContact OD2-N 3.49Å; S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact OG-N 2.75Å; S358-K361 WeakPolarHBondContact O-CD 3.44Å; S358-K361 VanDerWaalsContact O-CE 3.26Å; S358-K361 WeakPolarHBondContact O-CE 3.25Å; S358-K361 PolarHBondContact O-NZ 3.34Å
359	N	82.9	Confident	93.5	Very high	91 Å²	91	41.7 Å²	41.7	49%	0.487	21%	0.211	S	C	.	.	S	Bend	trans	-72.3	-28.5	167.8	-68.9	-7.7	0	0	0	110.9	K75 E119 Y120 K361	K75-N359 PolarHBondContact NZ-ND2 2.99Å; K75-N359 PolarHBondContact NZ-OD1 3.26Å; E119-N359 PolarHBondContact OE2-ND2 3.2Å; Y120-N359 PolarHBondContact OH-ND2 3.15Å; N359-K361 VanDerWaalsContact C-N 3.32Å; N359-K361 PolarHBondContact O-N 2.83Å
360	K	87.4	Confident	93.6	Very high	59 Å²	59	42.2 Å²	42.2	26%	0.257	21%	0.213	S	C	.	.			trans	-81.7	79.6	178.7	-169.5	170.3	-177.4	172.2	0	109.5	E95 N353 S358 H362	E95-K360 IonicContact OE1-NZ 2.77Å; E95-K360 PolarHBondContact OE1-NZ 3.25Å; N353-K360 WeakPolarHBondContact CB-O 3.24Å; N353-K360 PolarHBondContact ND2-O 2.87Å; S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact OG-N 2.75Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.13Å
361	K	92.6	Very high	93.6	Very high	99 Å²	99	45.8 Å²	45.8	43%	0.43	23%	0.226	S	C	.	.			trans	-64.5	-28.1	-177.3	-61.1	-53.9	-174.5	-164	0	113.8	N352 N353 E356 S358 N359	N352-K361 WeakPolarHBondContact CA-O 3.5Å; N353-K361 PolarHBondContact N-O 3.46Å; E356-K361 PolarHBondContact O-NZ 3.42Å; S358-K361 WeakPolarHBondContact O-CD 3.44Å; S358-K361 VanDerWaalsContact O-CE 3.26Å; S358-K361 WeakPolarHBondContact O-CE 3.25Å; S358-K361 PolarHBondContact O-NZ 3.34Å; N359-K361 VanDerWaalsContact C-N 3.32Å; N359-K361 PolarHBondContact O-N 2.83Å
362	H	96	Very high	93.6	Very high	64 Å²	64	46.7 Å²	46.7	30%	0.296	23%	0.232	S	C	.	.	S	Bend	trans	-142.5	155.9	-176.7	-45.9	102.9	0	0	0	109.9	L351 N352 K360 F364 C366	L351-H362 WeakPolarHBondContact O-CA 3.11Å; L351-H362 PolarHBondContact O-CD2 3Å; L351-H362 VanDerWaalsContact O-CD2 3.31Å; N352-H362 PolarHBondContact OD1-NE2 3.2Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.13Å; H362-F364 VanDerWaalsContact C-N 3.27Å; H362-F364 WeakPolarHBondContact CB-O 3.23Å; H362-F364 PolarHBondContact O-N 2.94Å; H362-C366 HydrophobicContact CB-CB 4.14Å
363	P	93.4	Very high	93.7	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.071	22%	0.221	C	C	.	.	S	Bend	trans	-69.7	-29	176.1	27.1	-30.7	0	0	0	111.9	Y248 L351 R453	Y248-P363 HydrophobicContact CD1-CG 4.4Å; Y248-P363 HydrophobicContact CE1-CB 4.35Å; Y248-P363 VanDerWaalsContact CE1-CD 3.47Å; Y248-P363 HydrophobicContact CE1-CG 4.35Å; Y248-P363 HydrophobicContact CE2-CB 4.04Å; Y248-P363 HydrophobicContact CE2-CG 4.43Å; Y248-P363 HydrophobicContact CG-CG 4.49Å; L351-P363 HydrophobicContact CB-CG 3.75Å; L351-P363 HydrophobicContact CD1-CG 3.79Å; L351-P363 HydrophobicContact CG-CG 4.44Å; L351-P363 VanDerWaalsContact O-CD 3.28Å; L351-P363 WeakPolarHBondContact O-CD 3.32Å; P363-R453 WeakPolarHBondContact O-CD 3.09Å; P363-R453 PolarHBondContact O-NH1 2.81Å; P363-R453 VanDerWaalsContact O-NH1 3.08Å
364	F	97.3	Very high	93.9	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.026	22%	0.217	C	C	.	.	S	Bend	trans	-153.4	171.7	178.8	47.9	-104	0	0	0	109.5	M349 L351 H362 C366 T368 A373 Y377 L378 C448	M349-F364 HydrophobicContact CE-CE2 3.69Å; M349-F364 HydrophobicContact CE-CZ 3.88Å; L351-F364 HydrophobicContact CD1-CE1 4.25Å; L351-F364 HydrophobicContact CD1-CZ 3.98Å; H362-F364 VanDerWaalsContact C-N 3.27Å; H362-F364 WeakPolarHBondContact CB-O 3.23Å; H362-F364 PolarHBondContact O-N 2.94Å; F364-C366 PolarHBondContact O-N 3.38Å; F364-C366 PolarHBondContact O-SG 3.14Å; F364-C366 VanDerWaalsContact O-SG 3.32Å; F364-T368 HydrophobicContact CD2-CG2 3.93Å; F364-T368 HydrophobicContact CE2-CG2 3.58Å; F364-A373 HydrophobicContact CD2-CB 4.27Å; F364-A373 HydrophobicContact CE1-CB 4.42Å; F364-A373 HydrophobicContact CE2-CB 3.72Å; F364-A373 HydrophobicContact CZ-CB 3.8Å; F364-Y377 HydrophobicContact CB-CD2 4.11Å; F364-Y377 HydrophobicContact CB-CG 4.07Å; F364-Y377 AromaticContact CD2-CD2 3.86Å; F364-Y377 HydrophobicContact CD2-CD2 3.86Å; F364-Y377 HydrophobicContact CG-CD2 4.18Å; F364-Y377 HydrophobicContact CG-CG 4.47Å; F364-L378 HydrophobicContact CD1-CD2 3.8Å; F364-L378 HydrophobicContact CD1-CG 4.33Å; F364-L378 HydrophobicContact CE1-CD1 4.13Å; F364-L378 HydrophobicContact CE1-CD2 3.99Å; F364-L378 HydrophobicContact CE1-CG 4.32Å; F364-C448 HydrophobicContact CE1-CB 4.07Å; F364-C448 HydrophobicContact CZ-CB 4.11Å
365	P	98.3	Very high	94.3	Very high	17 Å²	17	39.9 Å²	39.9	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-53.8	122.5	-177.5	-27.9	36.8	0	0	0	113	Y262 M266 T368 Y377	Y262-P365 HydrophobicContact CD1-CB 3.51Å; Y262-P365 HydrophobicContact CD2-CB 4.03Å; Y262-P365 HydrophobicContact CE1-CB 3.76Å; Y262-P365 HydrophobicContact CE2-CB 4.26Å; Y262-P365 HydrophobicContact CG-CB 3.65Å; M266-P365 WeakPolarHBondContact O-CG 3.4Å; P365-T368 WeakPolarHBondContact O-CB 3.26Å; P365-T368 VanDerWaalsContact O-CG2 3.23Å; P365-T368 WeakPolarHBondContact O-CG2 3.36Å; P365-Y377 HydrophobicContact CB-CE2 4.14Å; P365-Y377 HydrophobicContact CG-CE1 4.02Å; P365-Y377 HydrophobicContact CG-CE2 4.35Å
366	C	98.1	Very high	94.8	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.061	20%	0.201	C	C	.	.	S	Bend	trans	-132.6	151.1	-178.2	-72.7	0	0	0	0	110.2	Y262 H362 F364	Y262-C366 VanDerWaalsContact CE2-O 3.24Å; Y262-C366 WeakPolarHBondContact CE2-O 3.24Å; H362-C366 HydrophobicContact CB-CB 4.14Å; F364-C366 PolarHBondContact O-N 3.38Å; F364-C366 PolarHBondContact O-SG 3.14Å; F364-C366 VanDerWaalsContact O-SG 3.32Å
367	P	98.6	Very high	95.3	Very high	26 Å²	26	33.7 Å²	33.7	17%	0.169	16%	0.163	C	C	.	.	S	Bend	cis	-70.8	145.4	-0.6	-19.5	33.6	0	0	0	114.1	I256 Y262 V348 M349 S350	I256-P367 HydrophobicContact CD1-CB 3.91Å; I256-P367 HydrophobicContact CD1-CG 3.64Å; Y262-P367 PolarHBondContact N-O 3.24Å; V348-P367 HydrophobicContact CG1-CB 4.16Å; M349-P367 VanDerWaalsContact O-CA 3.31Å; M349-P367 WeakPolarHBondContact O-CA 3.15Å; S350-P367 VanDerWaalsContact OG-CA 3.32Å; S350-P367 WeakPolarHBondContact OG-CA 3.13Å; S350-P367 WeakPolarHBondContact OG-CB 3.28Å; S350-P367 WeakPolarHBondContact OG-CG 3.38Å
368	T	98.8	Very high	96	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.5	179.6	-176.2	0	0	0	0	110.7	Y262 M349 F364 P365 T372 A373 Y377	Y262-T368 PolarHBondContact O-OG1 3.43Å; M349-T368 HydrophobicContact CE-CG2 3.72Å; M349-T368 PolarHBondContact N-O 3.03Å; M349-T368 PolarHBondContact O-N 3Å; M349-T368 VanDerWaalsContact O-O 3.13Å; F364-T368 HydrophobicContact CD2-CG2 3.93Å; F364-T368 HydrophobicContact CE2-CG2 3.58Å; P365-T368 WeakPolarHBondContact O-CB 3.26Å; P365-T368 VanDerWaalsContact O-CG2 3.23Å; P365-T368 WeakPolarHBondContact O-CG2 3.36Å; T368-T372 VanDerWaalsContact OG1-CB 3.25Å; T368-T372 WeakPolarHBondContact OG1-CB 3.33Å; T368-T372 VanDerWaalsContact OG1-CG2 3.26Å; T368-T372 WeakPolarHBondContact OG1-CG2 3.36Å; T368-A373 HydrophobicContact CG2-CB 4.3Å; T368-Y377 HydrophobicContact CG2-CE2 4.36Å
369	S	98.9	Very high	96.7	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.091	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	157.5	168.2	72.3	0	0	0	0	112.3	V347 R371 T372 A373	V347-S369 VanDerWaalsContact O-CA 3.25Å; V347-S369 WeakPolarHBondContact O-CA 3.33Å; S369-R371 VanDerWaalsContact C-N 3.26Å; S369-R371 PolarHBondContact O-N 3.09Å; S369-T372 PolarHBondContact O-N 3.06Å; S369-T372 PolarHBondContact OG-N 3.31Å; S369-T372 PolarHBondContact OG-OG1 3.45Å; S369-A373 PolarHBondContact O-N 2.95Å
370	Y	98.9	Very high	97.4	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-37.2	172.6	-64.2	-62	0	0	0	111.9	L250 L345 V347 M349 T372 A373 L374 I444 D445	L250-Y370 WeakPolarHBondContact CD1-OH 3.4Å; L345-Y370 PolarHBondContact O-N 3.37Å; V347-Y370 HydrophobicContact CB-CD2 4.17Å; V347-Y370 HydrophobicContact CB-CE2 4.06Å; V347-Y370 HydrophobicContact CG1-CE2 4.14Å; M349-Y370 HydrophobicContact CE-CD1 4.26Å; M349-Y370 HydrophobicContact CE-CE1 4.23Å; M349-Y370 HydrophobicContact CG-CD1 4.2Å; M349-Y370 HydrophobicContact CG-CE1 3.64Å; M349-Y370 HydrophobicContact CG-CE2 4.15Å; M349-Y370 HydrophobicContact SD-CD1 4.48Å; M349-Y370 HydrophobicContact SD-CE1 3.87Å; Y370-T372 VanDerWaalsContact C-N 3.34Å; Y370-T372 PolarHBondContact O-N 3.14Å; Y370-A373 PolarHBondContact O-N 3.25Å; Y370-L374 WeakPolarHBondContact O-CB 3.04Å; Y370-L374 WeakPolarHBondContact O-CG 3.32Å; Y370-L374 PolarHBondContact O-N 2.81Å; Y370-I444 HydrophobicContact CD1-CD1 4.22Å; Y370-I444 HydrophobicContact CD1-CG1 4.02Å; Y370-I444 HydrophobicContact CD1-CG2 4.18Å; Y370-I444 HydrophobicContact CD2-CD1 4.25Å; Y370-I444 HydrophobicContact CD2-CG2 4.02Å; Y370-I444 HydrophobicContact CE1-CG1 4.41Å; Y370-I444 HydrophobicContact CE1-CG2 3.86Å; Y370-I444 HydrophobicContact CE2-CG2 3.68Å; Y370-I444 HydrophobicContact CG-CD1 3.86Å; Y370-I444 HydrophobicContact CG-CG1 4.17Å; Y370-I444 HydrophobicContact CG-CG2 4.26Å; Y370-D445 HydrophobicContact CE1-CB 4.1Å; Y370-D445 WeakPolarHBondContact OH-CB 3.29Å
371	R	98.9	Very high	97.9	Very high	78 Å²	78	23.5 Å²	23.5	29%	0.294	11%	0.113	S	C	.	.	H	α-helix	trans	-55.5	-50.3	174.6	-173.7	179	-58.9	-72.2	0.2	110.7	V334 N335 L345 D346 S369 T375	V334-R371 HydrophobicContact CG1-CG 4.47Å; N335-R371 PolarHBondContact OD1-NH1 3.09Å; L345-R371 HydrophobicContact CB-CB 3.96Å; L345-R371 WeakPolarHBondContact O-CB 3.36Å; L345-R371 PolarHBondContact O-N 2.76Å; D346-R371 IonicContact OD1-CZ 2.91Å; D346-R371 IonicContact OD1-NE 3.37Å; D346-R371 PolarHBondContact OD1-NE 3.2Å; D346-R371 IonicContact OD1-NH2 2.75Å; D346-R371 IonicContact OD2-CZ 3.95Å; D346-R371 IonicContact OD2-NE 3.52Å; D346-R371 PolarHBondContact OD2-NE 3.49Å; D346-R371 IonicContact OD2-NH2 3.09Å; D346-R371 PolarHBondContact OD2-NH2 3.07Å; S369-R371 VanDerWaalsContact C-N 3.26Å; S369-R371 PolarHBondContact O-N 3.09Å; R371-T375 WeakPolarHBondContact O-CB 3.37Å; R371-T375 PolarHBondContact O-N 2.61Å; R371-T375 PolarHBondContact O-OG1 2.89Å
372	T	98.9	Very high	98.1	Very high	19 Å²	19	22.2 Å²	22.2	12%	0.117	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-44.6	178.9	-63.9	0	0	0	0	110.9	T368 S369 Y370 L374 T375 Y376 Y377	T368-T372 VanDerWaalsContact OG1-CB 3.25Å; T368-T372 WeakPolarHBondContact OG1-CB 3.33Å; T368-T372 VanDerWaalsContact OG1-CG2 3.26Å; T368-T372 WeakPolarHBondContact OG1-CG2 3.36Å; S369-T372 PolarHBondContact O-N 3.06Å; S369-T372 PolarHBondContact OG-N 3.31Å; S369-T372 PolarHBondContact OG-OG1 3.45Å; Y370-T372 VanDerWaalsContact C-N 3.34Å; Y370-T372 PolarHBondContact O-N 3.14Å; T372-L374 PolarHBondContact O-N 2.86Å; T372-T375 PolarHBondContact O-N 3.36Å; T372-Y376 HydrophobicContact CG2-CD2 3.93Å; T372-Y376 WeakPolarHBondContact O-CD2 3.41Å; T372-Y376 PolarHBondContact O-N 2.94Å; T372-Y377 HydrophobicContact CG2-CE2 3.93Å
373	A	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-60	-49.5	179.3	0	0	0	0	0	112.6	F364 T368 S369 Y370 T375 Y377 L378	F364-A373 HydrophobicContact CD2-CB 4.27Å; F364-A373 HydrophobicContact CE1-CB 4.42Å; F364-A373 HydrophobicContact CE2-CB 3.72Å; F364-A373 HydrophobicContact CZ-CB 3.8Å; T368-A373 HydrophobicContact CG2-CB 4.3Å; S369-A373 PolarHBondContact O-N 2.95Å; Y370-A373 PolarHBondContact O-N 3.25Å; A373-T375 PolarHBondContact O-N 2.82Å; A373-Y377 HydrophobicContact CB-CD2 4.3Å; A373-Y377 CarbonylContact O-C 3.57Å; A373-Y377 WeakPolarHBondContact O-CA 3.44Å; A373-Y377 WeakPolarHBondContact O-CB 3.41Å; A373-Y377 PolarHBondContact O-N 2.72Å; A373-L378 HydrophobicContact CB-CD1 4.25Å; A373-L378 PolarHBondContact O-N 3.41Å
374	L	98.9	Very high	98.3	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	I	π-helix	trans	-68.3	-23.3	177.8	-66.2	171.2	0	0	0	113	N329 V334 L345 Y370 T372 L378 I380 I444 L451	N329-L374 PolarHBondContact ND2-O 2.84Å; V334-L374 HydrophobicContact CG1-CB 3.9Å; V334-L374 HydrophobicContact CG1-CD1 4.35Å; V334-L374 HydrophobicContact CG2-CB 4.12Å; L345-L374 HydrophobicContact CD2-CD1 3.96Å; Y370-L374 WeakPolarHBondContact O-CB 3.04Å; Y370-L374 WeakPolarHBondContact O-CG 3.32Å; Y370-L374 PolarHBondContact O-N 2.81Å; T372-L374 PolarHBondContact O-N 2.86Å; L374-L378 HydrophobicContact CD2-CD1 3.97Å; L374-I380 HydrophobicContact CD2-CG2 3.85Å; L374-I444 HydrophobicContact CD1-CD1 4.21Å; L374-L451 HydrophobicContact CD2-CD1 4.23Å
375	T	98.9	Very high	98	Very high	17 Å²	17	22.4 Å²	22.4	10%	0.104	11%	0.111	C	C	.	.	I	π-helix	trans	-83.8	-44.6	179.6	-58.5	0	0	0	0	112.1	A328 N329 R371 T372 A373	A328-T375 CarbonylContact C-O 3.59Å; A328-T375 WeakPolarHBondContact CA-O 3.12Å; A328-T375 HydrophobicContact CB-CG2 3.87Å; N329-T375 PolarHBondContact N-O 2.83Å; R371-T375 WeakPolarHBondContact O-CB 3.37Å; R371-T375 PolarHBondContact O-N 2.61Å; R371-T375 PolarHBondContact O-OG1 2.89Å; T372-T375 PolarHBondContact O-N 3.36Å; A373-T375 PolarHBondContact O-N 2.82Å
376	Y	98.8	Very high	97.6	Very high	85 Å²	85	21.7 Å²	21.7	33%	0.333	11%	0.106	S	C	.	.	I	π-helix	trans	-118.2	-21.1	-167.4	-59.6	-73.5	0	0	0	114.8	A328 T372	A328-Y376 HydrophobicContact CB-CD1 3.87Å; A328-Y376 HydrophobicContact CB-CE1 3.55Å; T372-Y376 HydrophobicContact CG2-CD2 3.93Å; T372-Y376 WeakPolarHBondContact O-CD2 3.41Å; T372-Y376 PolarHBondContact O-N 2.94Å
377	Y	98.6	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-112.7	-23	-168.6	-56.7	-35	0	0	0	114.5	G264 E265 M266 F364 P365 T368 T372 A373 R453 L454	G264-Y377 VanDerWaalsContact C-OH 3.25Å; G264-Y377 VanDerWaalsContact CA-OH 3.26Å; G264-Y377 WeakPolarHBondContact CA-OH 3.31Å; G264-Y377 PolarHBondContact N-OH 2.94Å; E265-Y377 PolarHBondContact N-OH 2.7Å; E265-Y377 VanDerWaalsContact O-CE1 3.29Å; E265-Y377 WeakPolarHBondContact O-CE1 3.46Å; E265-Y377 PolarHBondContact O-OH 2.91Å; M266-Y377 HydrophobicContact CE-CD1 4.45Å; M266-Y377 HydrophobicContact SD-CD1 4.4Å; M266-Y377 HydrophobicContact SD-CE1 4.42Å; F364-Y377 HydrophobicContact CB-CD2 4.11Å; F364-Y377 HydrophobicContact CB-CG 4.07Å; F364-Y377 AromaticContact CD2-CD2 3.86Å; F364-Y377 HydrophobicContact CD2-CD2 3.86Å; F364-Y377 HydrophobicContact CG-CD2 4.18Å; F364-Y377 HydrophobicContact CG-CG 4.47Å; P365-Y377 HydrophobicContact CB-CE2 4.14Å; P365-Y377 HydrophobicContact CG-CE1 4.02Å; P365-Y377 HydrophobicContact CG-CE2 4.35Å; T368-Y377 HydrophobicContact CG2-CE2 4.36Å; T372-Y377 HydrophobicContact CG2-CE2 3.93Å; A373-Y377 HydrophobicContact CB-CD2 4.3Å; A373-Y377 CarbonylContact O-C 3.57Å; A373-Y377 WeakPolarHBondContact O-CA 3.44Å; A373-Y377 WeakPolarHBondContact O-CB 3.41Å; A373-Y377 PolarHBondContact O-N 2.72Å; Y377-R453 CarbonylContact O-C 3.56Å; Y377-R453 VanDerWaalsContact O-CA 3.27Å; Y377-R453 WeakPolarHBondContact O-CA 3.3Å; Y377-R453 WeakPolarHBondContact O-CD 3.28Å; Y377-R453 PolarHBondContact O-NE 3.4Å; Y377-R453 VanDerWaalsContact O-NE 3.16Å; Y377-L454 PolarHBondContact O-N 3.41Å
378	L	98.7	Very high	96.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-117.8	140.7	-172.4	-61.5	174	0	0	0	112.3	N329 F364 A373 L374 C448 L451 P452	N329-L378 PolarHBondContact ND2-O 3Å; F364-L378 HydrophobicContact CD1-CD2 3.8Å; F364-L378 HydrophobicContact CD1-CG 4.33Å; F364-L378 HydrophobicContact CE1-CD1 4.13Å; F364-L378 HydrophobicContact CE1-CD2 3.99Å; F364-L378 HydrophobicContact CE1-CG 4.32Å; A373-L378 HydrophobicContact CB-CD1 4.25Å; A373-L378 PolarHBondContact O-N 3.41Å; L374-L378 HydrophobicContact CD2-CD1 3.97Å; L378-C448 HydrophobicContact CD1-CB 3.82Å; L378-L451 HydrophobicContact CB-CB 4.36Å; L378-L451 HydrophobicContact CD1-CB 4.48Å; L378-L451 HydrophobicContact CD1-CD1 4.39Å; L378-L451 HydrophobicContact CD2-CB 4.15Å; L378-P452 CarbonylContact C-O 3.59Å; L378-P452 WeakPolarHBondContact CA-O 3.32Å
379	D	98.6	Very high	96.6	Very high	13 Å²	13	21.6 Å²	21.6	7%	0.07	10%	0.104	C	C	.	.			trans	-83.4	115.2	169.2	-167.1	-26.2	0	0	0	109.6	T381 N382 P452 R457	D379-T381 WeakPolarHBondContact OD1-CA 3.39Å; D379-T381 PolarHBondContact OD1-N 2.86Å; D379-T381 PolarHBondContact OD1-OG1 3.32Å; D379-N382 PolarHBondContact OD1-N 3.39Å; D379-N382 PolarHBondContact OD2-ND2 3.14Å; D379-P452 HydrophobicContact CB-CG 4.21Å; D379-P452 PolarHBondContact N-O 2.92Å; D379-R457 IonicContact OD2-NH2 2.74Å
380	I	98.6	Very high	96.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.112	C	C	.	.			trans	-112.9	12.3	178.7	62.1	173	0	0	0	112.3	N329 L333 V334 L337 L374 H429 I430 L451	N329-I380 HydrophobicContact CB-CD1 3.89Å; N329-I380 HydrophobicContact CB-CG1 4.19Å; L333-I380 HydrophobicContact CB-CD1 4.41Å; L333-I380 HydrophobicContact CD2-CD1 3.63Å; L333-I380 HydrophobicContact CD2-CG1 3.75Å; L333-I380 HydrophobicContact CG-CD1 3.89Å; L333-I380 HydrophobicContact CG-CG1 4.48Å; V334-I380 HydrophobicContact CG2-CD1 3.81Å; L337-I380 HydrophobicContact CD1-CB 3.93Å; L337-I380 HydrophobicContact CD1-CD1 3.79Å; L337-I380 HydrophobicContact CD1-CG1 4.44Å; L337-I380 HydrophobicContact CD1-CG2 3.93Å; L374-I380 HydrophobicContact CD2-CG2 3.85Å; I380-H429 WeakPolarHBondContact O-CB 3.39Å; I380-I430 HydrophobicContact CB-CG2 3.95Å; I380-I430 HydrophobicContact CG2-CG2 4.36Å; I380-L451 HydrophobicContact CG2-CD1 3.96Å
381	T	98.5	Very high	95.9	Very high	21 Å²	21	26 Å²	26	13%	0.129	12%	0.121	C	C	.	.	S	Bend	trans	-123.3	-27	-168.7	63.3	0	0	0	0	114	L333 D379 H429 V492	L333-T381 HydrophobicContact CD2-CG2 3.8Å; D379-T381 WeakPolarHBondContact OD1-CA 3.39Å; D379-T381 PolarHBondContact OD1-N 2.86Å; D379-T381 PolarHBondContact OD1-OG1 3.32Å; T381-H429 WeakPolarHBondContact O-CB 3.14Å; T381-V492 HydrophobicContact CG2-CG2 3.56Å; T381-V492 WeakPolarHBondContact OG1-CG2 3.19Å
382	N	96.7	Very high	95.7	Very high	72 Å²	72	22.3 Å²	22.3	39%	0.385	11%	0.107	S	C	.	.	S	Bend	trans	-78.6	152.8	175.5	-77.9	-147.4	0	0	0	110	D379 P384	D379-N382 PolarHBondContact OD1-N 3.39Å; D379-N382 PolarHBondContact OD2-ND2 3.14Å; N382-P384 WeakPolarHBondContact O-CD 3.2Å
383	P	97.8	Very high	95.5	Very high	22 Å²	22	21.4 Å²	21.4	14%	0.143	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-56.7	125.7	174.3	-23.6	34.2	0	0	0	110.8	V423 R428	P383-V423 HydrophobicContact CB-CG1 3.83Å; P383-R428 WeakPolarHBondContact CA-O 3.36Å
384	P	95.7	Very high	95.2	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.045	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-58.1	145.7	177.4	-28	37.9	0	0	0	112.2	N382 V388 L389 Y419 R428 I430 I433	N382-P384 WeakPolarHBondContact O-CD 3.2Å; P384-V388 HydrophobicContact CB-CB 4.34Å; P384-V388 HydrophobicContact CB-CG1 4.27Å; P384-L389 HydrophobicContact CB-CD2 4.01Å; P384-L389 HydrophobicContact CB-CG 4.43Å; P384-Y419 WeakPolarHBondContact O-CE2 3.48Å; P384-Y419 PolarHBondContact O-OH 2.85Å; P384-R428 VanDerWaalsContact CD-O 3.31Å; P384-R428 WeakPolarHBondContact CD-O 3.49Å; P384-I430 HydrophobicContact CG-CB 4.17Å; P384-I430 HydrophobicContact CG-CD1 4.36Å; P384-I433 HydrophobicContact CG-CD1 3.9Å
385	R	90.8	Very high	95.1	Very high	57 Å²	57	28 Å²	28	22%	0.215	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-73.7	159	175.1	-65.9	-174.9	-175.9	-77.8	-5.6	110.8	E216 N387 V388 L389	E216-R385 VanDerWaalsContact OE2-CD 3.32Å; E216-R385 WeakPolarHBondContact OE2-CD 3.49Å; E216-R385 IonicContact OE2-CZ 3Å; E216-R385 IonicContact OE2-NE 3.34Å; E216-R385 IonicContact OE2-NH1 2.67Å; E216-R385 PolarHBondContact OE2-NH1 2.91Å; R385-N387 VanDerWaalsContact C-N 3.29Å; R385-N387 WeakPolarHBondContact CB-OD1 3.31Å; R385-N387 PolarHBondContact O-N 2.86Å; R385-V388 WeakPolarHBondContact O-CB 3.46Å; R385-V388 PolarHBondContact O-N 3.44Å; R385-V388 VanDerWaalsContact O-N 3.07Å; R385-L389 PolarHBondContact O-N 3.37Å
386	T	90.1	Very high	95	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-38.9	-177.5	56	0	0	0	0	113	E216 I220 V388 L389 Y390 M408 Y419	E216-T386 HydrophobicContact CG-CG2 4.28Å; E216-T386 PolarHBondContact OE1-OG1 2.9Å; E216-T386 VanDerWaalsContact OE1-OG1 3.11Å; I220-T386 HydrophobicContact CD1-CG2 3.75Å; I220-T386 WeakPolarHBondContact CD1-OG1 3.36Å; T386-V388 VanDerWaalsContact C-N 3.32Å; T386-V388 PolarHBondContact O-N 3.08Å; T386-L389 PolarHBondContact O-N 3Å; T386-Y390 WeakPolarHBondContact O-CB 3.49Å; T386-Y390 PolarHBondContact O-N 3.43Å; T386-M408 VanDerWaalsContact CG2-O 3.31Å; T386-M408 WeakPolarHBondContact CG2-O 3.46Å; T386-Y419 HydrophobicContact CG2-CD1 3.87Å; T386-Y419 HydrophobicContact CG2-CD2 4.06Å; T386-Y419 HydrophobicContact CG2-CE1 3.73Å; T386-Y419 HydrophobicContact CG2-CE2 3.92Å; T386-Y419 HydrophobicContact CG2-CG 4.04Å
387	N	87.9	Confident	94.9	Very high	30 Å²	30	28.3 Å²	28.3	16%	0.16	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-38.4	176.6	66.5	-61.4	0	0	0	112.4	E96 R385 Y390 E391	E96-N387 PolarHBondContact OE1-ND2 2.82Å; R385-N387 VanDerWaalsContact C-N 3.29Å; R385-N387 WeakPolarHBondContact CB-OD1 3.31Å; R385-N387 PolarHBondContact O-N 2.86Å; N387-Y390 PolarHBondContact O-N 2.84Å; N387-E391 WeakPolarHBondContact O-CG 3.44Å; N387-E391 PolarHBondContact O-N 2.81Å
388	V	93.1	Very high	94.9	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-45.7	175.9	179.5	0	0	0	0	109.9	P384 R385 T386 Y390 E391 L392 L450	P384-V388 HydrophobicContact CB-CB 4.34Å; P384-V388 HydrophobicContact CB-CG1 4.27Å; R385-V388 WeakPolarHBondContact O-CB 3.46Å; R385-V388 PolarHBondContact O-N 3.44Å; R385-V388 VanDerWaalsContact O-N 3.07Å; T386-V388 VanDerWaalsContact C-N 3.32Å; T386-V388 PolarHBondContact O-N 3.08Å; V388-Y390 PolarHBondContact O-N 3.22Å; V388-E391 PolarHBondContact O-N 3.45Å; V388-L392 HydrophobicContact CG1-CD1 3.79Å; V388-L392 HydrophobicContact CG1-CG 4.28Å; V388-L392 VanDerWaalsContact O-CB 3.28Å; V388-L392 WeakPolarHBondContact O-CB 3.37Å; V388-L392 WeakPolarHBondContact O-CG 3.36Å; V388-L392 PolarHBondContact O-N 3.02Å; V388-L450 HydrophobicContact CG1-CB 4.14Å; V388-L450 HydrophobicContact CG2-CB 4.37Å; V388-L450 WeakPolarHBondContact CG2-O 3.25Å
389	L	93.8	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-41.4	178.8	-57.7	179.6	0	0	0	112.1	P384 R385 T386 L392 A393 L405 M408 Y419 V423 I433	P384-L389 HydrophobicContact CB-CD2 4.01Å; P384-L389 HydrophobicContact CB-CG 4.43Å; R385-L389 PolarHBondContact O-N 3.37Å; T386-L389 PolarHBondContact O-N 3Å; L389-L392 PolarHBondContact O-N 3.33Å; L389-A393 PolarHBondContact O-N 2.93Å; L389-L405 HydrophobicContact CB-CD2 4.41Å; L389-L405 HydrophobicContact CD2-CD2 4.24Å; L389-M408 HydrophobicContact CD1-CB 4.11Å; L389-M408 HydrophobicContact CD1-SD 3.75Å; L389-Y419 HydrophobicContact CD1-CD2 3.88Å; L389-Y419 HydrophobicContact CD1-CE2 3.9Å; L389-V423 HydrophobicContact CD1-CG2 3.99Å; L389-I433 HydrophobicContact CD2-CD1 3.63Å; L389-I433 HydrophobicContact CD2-CG2 4.48Å
390	Y	91.4	Very high	94.7	Very high	69 Å²	69	39.9 Å²	39.9	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-59.6	-51	177.2	-174.4	-88.4	0	0	0	111.8	E242 T386 N387 V388 L392 A393 A409	E242-Y390 PolarHBondContact OE1-OH 3.27Å; E242-Y390 PolarHBondContact OE2-OH 3.17Å; T386-Y390 WeakPolarHBondContact O-CB 3.49Å; T386-Y390 PolarHBondContact O-N 3.43Å; N387-Y390 PolarHBondContact O-N 2.84Å; V388-Y390 PolarHBondContact O-N 3.22Å; Y390-L392 VanDerWaalsContact C-N 3.3Å; Y390-L392 PolarHBondContact O-N 2.97Å; Y390-A393 VanDerWaalsContact O-CB 3.26Å; Y390-A393 WeakPolarHBondContact O-CB 3.48Å; Y390-A393 PolarHBondContact O-N 3.38Å; Y390-A409 HydrophobicContact CD2-CB 3.7Å; Y390-A409 HydrophobicContact CG-CB 4.18Å
391	E	90.6	Very high	94.5	Very high	48 Å²	48	41.2 Å²	41.2	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-33.6	179.1	-69	-56.9	150.6	0	0	112.4	S244 N387 V388 A393 Q394 L450	S244-E391 PolarHBondContact OG-OE2 3.39Å; N387-E391 WeakPolarHBondContact O-CG 3.44Å; N387-E391 PolarHBondContact O-N 2.81Å; V388-E391 PolarHBondContact O-N 3.45Å; E391-A393 VanDerWaalsContact C-N 3.31Å; E391-A393 PolarHBondContact O-N 3.06Å; E391-Q394 WeakPolarHBondContact O-CG 3.35Å; E391-Q394 PolarHBondContact O-NE2 3.04Å; E391-L450 HydrophobicContact CB-CD1 3.81Å; E391-L450 HydrophobicContact CB-CD2 3.91Å; E391-L450 HydrophobicContact CG-CD2 3.96Å
392	L	94.6	Very high	94.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72.2	-24.4	177.2	-73.4	-179	0	0	0	113	V388 L389 Y390 Q394 Y395 I430 L440 P442 L447 L450	V388-L392 HydrophobicContact CG1-CD1 3.79Å; V388-L392 HydrophobicContact CG1-CG 4.28Å; V388-L392 VanDerWaalsContact O-CB 3.28Å; V388-L392 WeakPolarHBondContact O-CB 3.37Å; V388-L392 WeakPolarHBondContact O-CG 3.36Å; V388-L392 PolarHBondContact O-N 3.02Å; L389-L392 PolarHBondContact O-N 3.33Å; Y390-L392 VanDerWaalsContact C-N 3.3Å; Y390-L392 PolarHBondContact O-N 2.97Å; L392-Q394 PolarHBondContact O-N 2.6Å; L392-Q394 VanDerWaalsContact O-N 3.11Å; L392-Y395 HydrophobicContact CD2-CD2 4.32Å; L392-Y395 WeakPolarHBondContact O-CB 3.44Å; L392-Y395 PolarHBondContact O-N 2.94Å; L392-I430 HydrophobicContact CD1-CD1 3.9Å; L392-L440 HydrophobicContact CB-CD1 4.12Å; L392-L440 WeakPolarHBondContact O-CD1 3.28Å; L392-P442 HydrophobicContact CD2-CB 3.55Å; L392-P442 HydrophobicContact CD2-CG 3.82Å; L392-L447 HydrophobicContact CD1-CD1 4Å; L392-L447 HydrophobicContact CD2-CD1 4.17Å; L392-L450 HydrophobicContact CD2-CD1 3.86Å; L392-L450 HydrophobicContact CG-CD1 4.06Å
393	A	93.9	Very high	94	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-56.3	-33.1	-175	0	0	0	0	0	113.4	L389 Y390 E391 Y395 A396 Q402 L405 R406	L389-A393 PolarHBondContact O-N 2.93Å; Y390-A393 VanDerWaalsContact O-CB 3.26Å; Y390-A393 WeakPolarHBondContact O-CB 3.48Å; Y390-A393 PolarHBondContact O-N 3.38Å; E391-A393 VanDerWaalsContact C-N 3.31Å; E391-A393 PolarHBondContact O-N 3.06Å; A393-Y395 PolarHBondContact O-N 2.58Å; A393-Y395 VanDerWaalsContact O-N 3.13Å; A393-A396 PolarHBondContact O-N 3.1Å; A393-A396 VanDerWaalsContact O-N 3.13Å; A393-Q402 VanDerWaalsContact O-CG 3.32Å; A393-Q402 WeakPolarHBondContact O-CG 3.49Å; A393-L405 HydrophobicContact CB-CB 3.61Å; A393-L405 HydrophobicContact CB-CD1 4.42Å; A393-R406 HydrophobicContact CB-CG 3.64Å
394	Q	93.4	Very high	93.7	Very high	78 Å²	78	44.8 Å²	44.8	36%	0.364	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63	-17.1	177.8	73	-170.4	-48.6	0	0	114.1	S244 E391 L392	S244-Q394 PolarHBondContact OG-NE2 3.16Å; S244-Q394 PolarHBondContact OG-OE1 3.19Å; E391-Q394 WeakPolarHBondContact O-CG 3.35Å; E391-Q394 PolarHBondContact O-NE2 3.04Å; L392-Q394 PolarHBondContact O-N 2.6Å; L392-Q394 VanDerWaalsContact O-N 3.11Å
395	Y	96.4	Very high	93.5	Very high	62 Å²	62	44.4 Å²	44.4	24%	0.243	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-98.7	3.7	179.3	-56.8	-65.9	0	0	0	113.5	L392 A393 R441 P442 P443 H446	L392-Y395 HydrophobicContact CD2-CD2 4.32Å; L392-Y395 WeakPolarHBondContact O-CB 3.44Å; L392-Y395 PolarHBondContact O-N 2.94Å; A393-Y395 PolarHBondContact O-N 2.58Å; A393-Y395 VanDerWaalsContact O-N 3.13Å; Y395-R441 PolarHBondContact O-N 3.31Å; Y395-P442 HydrophobicContact CD2-CB 3.58Å; Y395-P442 HydrophobicContact CE2-CB 4.25Å; Y395-P442 HydrophobicContact CG-CB 3.86Å; Y395-P443 VanDerWaalsContact CE1-CD 3.44Å; Y395-P443 HydrophobicContact CE1-CG 4.05Å; Y395-H446 AromaticContact CE2-ND1 3.46Å; Y395-H446 WeakPolarHBondContact CE2-ND1 3.26Å; Y395-H446 AromaticContact CZ-ND1 3.56Å; Y395-H446 PolarHBondContact OH-ND1 3.18Å
396	A	96.9	Very high	93.5	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.025	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-84.9	116.8	169.8	0	0	0	0	0	109.3	A393 E398 E401 Q402 L405 L440	A393-A396 PolarHBondContact O-N 3.1Å; A393-A396 VanDerWaalsContact O-N 3.13Å; A396-E398 VanDerWaalsContact C-N 3.33Å; A396-E401 HydrophobicContact CB-CB 4.21Å; A396-Q402 HydrophobicContact CB-CB 3.95Å; A396-L405 HydrophobicContact CB-CD1 4.17Å; A396-L440 HydrophobicContact CB-CB 4.5Å; A396-L440 HydrophobicContact CB-CD1 4.35Å
397	S	97.5	Very high	93.3	Very high	105 Å²	105	51.6 Å²	51.6	73%	0.734	26%	0.261	S	S	*	.	S	Bend	trans	-77.9	-19.4	-179.7	66.5	0	0	0	0	113.4	S439	S397-S439 PolarHBondContact N-O 2.87Å; S397-S439 PolarHBondContact N-OG 2.77Å; S397-S439 WeakPolarHBondContact OG-CB 3.4Å
398	E	97.8	Very high	93.2	Very high	91 Å²	91	50.1 Å²	50.1	43%	0.425	25%	0.254	S	S	.	.	S	Bend	trans	-89.4	118.7	176.5	178.3	55.2	-132.8	0	0	109.4	A396 S400 E401 Q402 S439	A396-E398 VanDerWaalsContact C-N 3.33Å; E398-S400 VanDerWaalsContact CG-OG 3.29Å; E398-S400 WeakPolarHBondContact CG-OG 3.27Å; E398-S400 PolarHBondContact O-N 2.72Å; E398-S400 VanDerWaalsContact O-N 3.13Å; E398-S400 PolarHBondContact OE1-OG 2.92Å; E398-E401 HydrophobicContact CB-CB 4.32Å; E398-E401 HydrophobicContact CB-CG 4.22Å; E398-E401 HydrophobicContact CG-CG 4.23Å; E398-E401 PolarHBondContact O-N 2.8Å; E398-Q402 PolarHBondContact O-N 2.9Å; E398-S439 VanDerWaalsContact CB-CB 3.46Å; E398-S439 WeakPolarHBondContact CB-OG 3.48Å; E398-S439 PolarHBondContact N-OG 3.01Å
399	P	96.1	Very high	92.4	Very high	88 Å²	88	51 Å²	51	57%	0.571	26%	0.261	S	S	*	.	H	α-helix	trans	-56.9	-33	-175.5	-28.4	35.7	0	0	0	114.1	E403	P399-E403 WeakPolarHBondContact O-CB 3.44Å; P399-E403 PolarHBondContact O-N 3.46Å
400	S	96.1	Very high	91.7	Very high	78 Å²	78	53.2 Å²	53.2	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-67.7	-39.5	177.8	59.7	0	0	0	0	112.7	E398 L404	E398-S400 VanDerWaalsContact CG-OG 3.29Å; E398-S400 WeakPolarHBondContact CG-OG 3.27Å; E398-S400 PolarHBondContact O-N 2.72Å; E398-S400 VanDerWaalsContact O-N 3.13Å; E398-S400 PolarHBondContact OE1-OG 2.92Å; S400-L404 VanDerWaalsContact O-CB 3.32Å; S400-L404 WeakPolarHBondContact O-CB 3.38Å; S400-L404 PolarHBondContact O-N 2.86Å
401	E	94.9	Very high	90.9	Very high	30 Å²	30	50.9 Å²	50.9	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-72.2	-38.7	175.1	-67	-179.1	-164	0	0	111.7	A396 E398 L404 L405 C437 P438 S439	A396-E401 HydrophobicContact CB-CB 4.21Å; E398-E401 HydrophobicContact CB-CB 4.32Å; E398-E401 HydrophobicContact CB-CG 4.22Å; E398-E401 HydrophobicContact CG-CG 4.23Å; E398-E401 PolarHBondContact O-N 2.8Å; E401-L404 WeakPolarHBondContact O-CB 3.28Å; E401-L404 PolarHBondContact O-N 2.63Å; E401-L405 VanDerWaalsContact O-CG 3.31Å; E401-L405 WeakPolarHBondContact O-CG 3.14Å; E401-L405 PolarHBondContact O-N 3.23Å; E401-C437 HydrophobicContact CG-CB 4.38Å; E401-C437 VanDerWaalsContact OE2-CA 3.28Å; E401-C437 WeakPolarHBondContact OE2-CA 3.45Å; E401-C437 WeakPolarHBondContact OE2-CB 3.32Å; E401-P438 VanDerWaalsContact OE1-CD 3.23Å; E401-P438 WeakPolarHBondContact OE1-CD 3.49Å; E401-S439 VanDerWaalsContact CD-OG 3.24Å; E401-S439 WeakPolarHBondContact OE2-CA 3.49Å; E401-S439 WeakPolarHBondContact OE2-CB 3.46Å; E401-S439 PolarHBondContact OE2-N 2.86Å; E401-S439 PolarHBondContact OE2-OG 2.84Å
402	Q	93.7	Very high	90.1	Very high	48 Å²	48	52.2 Å²	52.2	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-48.7	174.5	176	169.1	19.2	0	0	111.5	A393 A396 E398 L404 L405 R406	A393-Q402 VanDerWaalsContact O-CG 3.32Å; A393-Q402 WeakPolarHBondContact O-CG 3.49Å; A396-Q402 HydrophobicContact CB-CB 3.95Å; E398-Q402 PolarHBondContact O-N 2.9Å; Q402-L404 VanDerWaalsContact C-N 3.32Å; Q402-L404 PolarHBondContact O-N 3.12Å; Q402-L405 PolarHBondContact O-N 3.36Å; Q402-R406 PolarHBondContact O-N 3.03Å; Q402-R406 VanDerWaalsContact O-N 3.1Å
403	E	91.8	Very high	89.8	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-36.2	178.6	-173.4	59.3	-160.1	0	0	111.7	P399 L405 R406 K407	P399-E403 WeakPolarHBondContact O-CB 3.44Å; P399-E403 PolarHBondContact O-N 3.46Å; E403-L405 PolarHBondContact O-N 3.03Å; E403-R406 PolarHBondContact O-N 3.14Å; E403-K407 HydrophobicContact CG-CD 4.08Å; E403-K407 HydrophobicContact CG-CG 4.38Å; E403-K407 WeakPolarHBondContact O-CB 3.31Å; E403-K407 VanDerWaalsContact O-CG 3.26Å; E403-K407 WeakPolarHBondContact O-CG 3.43Å; E403-K407 PolarHBondContact O-N 3.22Å; E403-K407 WeakPolarHBondContact OE1-CE 3.39Å
404	L	91.9	Very high	89.4	Confident	56 Å²	56	62.1 Å²	62.1	29%	0.293	34%	0.344	S	S	.	.	H	α-helix	trans	-56.2	-49.7	174.1	-167.3	78.1	0	0	0	111.5	S400 E401 Q402 K407 M408 L418	S400-L404 VanDerWaalsContact O-CB 3.32Å; S400-L404 WeakPolarHBondContact O-CB 3.38Å; S400-L404 PolarHBondContact O-N 2.86Å; E401-L404 WeakPolarHBondContact O-CB 3.28Å; E401-L404 PolarHBondContact O-N 2.63Å; Q402-L404 VanDerWaalsContact C-N 3.32Å; Q402-L404 PolarHBondContact O-N 3.12Å; L404-K407 PolarHBondContact O-N 3.18Å; L404-M408 HydrophobicContact CD2-CE 4.15Å; L404-M408 HydrophobicContact CG-CE 3.93Å; L404-M408 WeakPolarHBondContact O-CG 3.34Å; L404-M408 PolarHBondContact O-N 3.33Å; L404-L418 HydrophobicContact CD1-CD2 3.32Å; L404-L418 HydrophobicContact CG-CD2 3.97Å
405	L	90.9	Very high	89.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-67.6	-39.4	-178.4	-68	167.8	0	0	0	112.2	L389 A393 A396 E401 Q402 E403 M408 I433 L440	L389-L405 HydrophobicContact CB-CD2 4.41Å; L389-L405 HydrophobicContact CD2-CD2 4.24Å; A393-L405 HydrophobicContact CB-CB 3.61Å; A393-L405 HydrophobicContact CB-CD1 4.42Å; A396-L405 HydrophobicContact CB-CD1 4.17Å; E401-L405 VanDerWaalsContact O-CG 3.31Å; E401-L405 WeakPolarHBondContact O-CG 3.14Å; E401-L405 PolarHBondContact O-N 3.23Å; Q402-L405 PolarHBondContact O-N 3.36Å; E403-L405 PolarHBondContact O-N 3.03Å; L405-M408 PolarHBondContact O-N 3.42Å; L405-I433 HydrophobicContact CD2-CG2 4.29Å; L405-L440 HydrophobicContact CD1-CD1 4.01Å; L405-L440 HydrophobicContact CD1-CD2 3.93Å; L405-L440 HydrophobicContact CD1-CG 4.4Å
406	R	89.6	Confident	88.6	Confident	107 Å²	107	58.4 Å²	58.4	40%	0.404	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-45.9	174.3	-75.4	-178.5	173.4	162.2	-3.4	112.1	A393 Q402 E403 M408 A409	A393-R406 HydrophobicContact CB-CG 3.64Å; Q402-R406 PolarHBondContact O-N 3.03Å; Q402-R406 VanDerWaalsContact O-N 3.1Å; E403-R406 PolarHBondContact O-N 3.14Å; R406-M408 VanDerWaalsContact C-N 3.26Å; R406-M408 PolarHBondContact O-N 2.95Å; R406-A409 WeakPolarHBondContact O-CB 3.33Å; R406-A409 PolarHBondContact O-N 2.88Å
407	K	87.8	Confident	88.3	Confident	102 Å²	102	64.6 Å²	64.6	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-32.6	-179.6	-77.3	177.2	175.2	-178.9	0	112.9	E403 L404 A409 S410 G415	E403-K407 HydrophobicContact CG-CD 4.08Å; E403-K407 HydrophobicContact CG-CG 4.38Å; E403-K407 WeakPolarHBondContact O-CB 3.31Å; E403-K407 VanDerWaalsContact O-CG 3.26Å; E403-K407 WeakPolarHBondContact O-CG 3.43Å; E403-K407 PolarHBondContact O-N 3.22Å; E403-K407 WeakPolarHBondContact OE1-CE 3.39Å; L404-K407 PolarHBondContact O-N 3.18Å; K407-A409 PolarHBondContact O-N 3.35Å; K407-A409 VanDerWaalsContact O-N 3.09Å; K407-S410 VanDerWaalsContact O-CB 3.23Å; K407-S410 WeakPolarHBondContact O-CB 3.36Å; K407-S410 PolarHBondContact O-N 3.36Å; K407-G415 CarbonylContact O-C 3.58Å; K407-G415 VanDerWaalsContact O-CA 3.25Å; K407-G415 WeakPolarHBondContact O-CA 3.23Å
408	M	85.3	Confident	88.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.4	176	-73.3	-178.5	-166.8	0	0	113.6	T386 L389 L404 L405 R406 L418 Y419 W422 V423	T386-M408 VanDerWaalsContact CG2-O 3.31Å; T386-M408 WeakPolarHBondContact CG2-O 3.46Å; L389-M408 HydrophobicContact CD1-CB 4.11Å; L389-M408 HydrophobicContact CD1-SD 3.75Å; L404-M408 HydrophobicContact CD2-CE 4.15Å; L404-M408 HydrophobicContact CG-CE 3.93Å; L404-M408 WeakPolarHBondContact O-CG 3.34Å; L404-M408 PolarHBondContact O-N 3.33Å; L405-M408 PolarHBondContact O-N 3.42Å; R406-M408 VanDerWaalsContact C-N 3.26Å; R406-M408 PolarHBondContact O-N 2.95Å; M408-L418 HydrophobicContact CE-CD2 3.65Å; M408-L418 HydrophobicContact CE-CG 3.77Å; M408-L418 HydrophobicContact CG-CD2 4.21Å; M408-L418 HydrophobicContact CG-CG 4.43Å; M408-Y419 HydrophobicContact CB-CD2 4.36Å; M408-W422 HydrophobicContact CE-CD2 4.06Å; M408-W422 HydrophobicContact CE-CE3 3.34Å; M408-W422 HydrophobicContact CE-CZ3 3.78Å; M408-W422 HydrophobicContact SD-CE3 4.22Å; M408-V423 HydrophobicContact CE-CG2 4.34Å; M408-V423 HydrophobicContact SD-CG2 3.65Å
409	A	75.7	Confident	87.9	Confident	22 Å²	22	57.9 Å²	57.9	18%	0.182	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.1	173.6	0	0	0	0	0	114.7	Y390 R406 K407	Y390-A409 HydrophobicContact CD2-CB 3.7Å; Y390-A409 HydrophobicContact CG-CB 4.18Å; R406-A409 WeakPolarHBondContact O-CB 3.33Å; R406-A409 PolarHBondContact O-N 2.88Å; K407-A409 PolarHBondContact O-N 3.35Å; K407-A409 VanDerWaalsContact O-N 3.09Å
410	S	80	Confident	87.7	Confident	45 Å²	45	56.4 Å²	56.4	32%	0.315	30%	0.304	S	S	.	.			trans	-69.6	137.7	174	-178.1	0	0	0	0	111.2	K407 S412	K407-S410 VanDerWaalsContact O-CB 3.23Å; K407-S410 WeakPolarHBondContact O-CB 3.36Å; K407-S410 PolarHBondContact O-N 3.36Å; S410-S412 PolarHBondContact O-N 3.02Å; S410-S412 PolarHBondContact OG-N 3.25Å; S410-S412 PolarHBondContact OG-O 2.55Å
411	S	73.8	Confident	87.7	Confident	20 Å²	20	55.1 Å²	55.1	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-74.1	-8.9	174.1	60.4	0	0	0	0	115.3	E224 K416	E224-S411 WeakPolarHBondContact OE1-CB 3.36Å; E224-S411 PolarHBondContact OE1-OG 3.5Å; E224-S411 WeakPolarHBondContact OE2-CB 3.38Å; E224-S411 PolarHBondContact OE2-OG 2.72Å; S411-K416 VanDerWaalsContact O-CD 3.24Å; S411-K416 WeakPolarHBondContact O-CD 3.45Å; S411-K416 PolarHBondContact O-NZ 3.18Å
412	S	74.5	Confident	87.8	Confident	76 Å²	76	56.2 Å²	56.2	53%	0.531	30%	0.297	S	S	.	.	S	Bend	trans	-152.3	167.4	-175.5	63	0	0	0	0	113	S410	S410-S412 PolarHBondContact O-N 3.02Å; S410-S412 PolarHBondContact OG-N 3.25Å; S410-S412 PolarHBondContact OG-O 2.55Å
413	G	87.4	Confident	87.9	Confident	47 Å²	47	53.9 Å²	53.9	49%	0.485	29%	0.287	S	S	.	.	H	α-helix	trans	72.6	-160.2	176.4	0	0	0	0	0	114.6	G415 K416 E417	G413-G415 PolarHBondContact O-N 3.14Å; G413-K416 PolarHBondContact O-N 3Å; G413-E417 PolarHBondContact O-N 3.22Å
414	E	86.6	Confident	88	Confident	162 Å²	162	51.8 Å²	51.8	76%	0.757	28%	0.279	S	S	*	.	H	α-helix	trans	-59.1	-31.2	-173.9	-63.8	-179.8	174.2	0	0	113.2	E417 L418	E414-E417 PolarHBondContact O-N 3.31Å; E414-L418 WeakPolarHBondContact O-CB 3.44Å; E414-L418 PolarHBondContact O-N 3.05Å
415	G	87.1	Confident	88.2	Confident	8 Å²	8	54.1 Å²	54.1	8%	0.082	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-43.7	178.5	0	0	0	0	0	113.3	K407 G413 L418 Y419	K407-G415 CarbonylContact O-C 3.58Å; K407-G415 VanDerWaalsContact O-CA 3.25Å; K407-G415 WeakPolarHBondContact O-CA 3.23Å; G413-G415 PolarHBondContact O-N 3.14Å; G415-L418 PolarHBondContact O-N 3.04Å; G415-Y419 PolarHBondContact O-N 3.17Å
416	K	85.6	Confident	88.5	Confident	53 Å²	53	54.3 Å²	54.3	23%	0.23	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-47.8	175	169.9	171.9	179.2	145.7	0	111.9	E217 S411 G413 L418 Y419 L420	E217-K416 WeakPolarHBondContact OE2-CD 3.4Å; E217-K416 WeakPolarHBondContact OE2-CE 3.47Å; E217-K416 IonicContact OE2-NZ 3.43Å; E217-K416 PolarHBondContact OE2-NZ 2.98Å; S411-K416 VanDerWaalsContact O-CD 3.24Å; S411-K416 WeakPolarHBondContact O-CD 3.45Å; S411-K416 PolarHBondContact O-NZ 3.18Å; G413-K416 PolarHBondContact O-N 3Å; K416-L418 PolarHBondContact O-N 3.21Å; K416-Y419 PolarHBondContact O-N 3.37Å; K416-Y419 VanDerWaalsContact O-N 3.11Å; K416-L420 HydrophobicContact CG-CD1 4.04Å; K416-L420 HydrophobicContact CG-CG 4.39Å; K416-L420 WeakPolarHBondContact O-CG 3.43Å; K416-L420 PolarHBondContact O-N 2.85Å
417	E	91.2	Very high	88.9	Confident	133 Å²	133	53.4 Å²	53.4	62%	0.621	29%	0.287	S	S	*	.	H	α-helix	trans	-59	-38.3	178.1	-68.2	179	-176.4	0	0	111.4	G413 E414 S421	G413-E417 PolarHBondContact O-N 3.22Å; E414-E417 PolarHBondContact O-N 3.31Å; E417-S421 WeakPolarHBondContact O-CB 3.4Å; E417-S421 PolarHBondContact O-N 3.04Å; E417-S421 PolarHBondContact O-OG 3.47Å
418	L	92.8	Very high	89.4	Confident	49 Å²	49	50 Å²	50	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-44.3	174.4	-176.9	68.9	0	0	0	112.2	L404 M408 E414 G415 K416 S421 W422	L404-L418 HydrophobicContact CD1-CD2 3.32Å; L404-L418 HydrophobicContact CG-CD2 3.97Å; M408-L418 HydrophobicContact CE-CD2 3.65Å; M408-L418 HydrophobicContact CE-CG 3.77Å; M408-L418 HydrophobicContact CG-CD2 4.21Å; M408-L418 HydrophobicContact CG-CG 4.43Å; E414-L418 WeakPolarHBondContact O-CB 3.44Å; E414-L418 PolarHBondContact O-N 3.05Å; G415-L418 PolarHBondContact O-N 3.04Å; K416-L418 PolarHBondContact O-N 3.21Å; L418-S421 PolarHBondContact O-OG 3.23Å; L418-W422 HydrophobicContact CD1-CB 3.94Å; L418-W422 HydrophobicContact CD1-CG 4.45Å; L418-W422 HydrophobicContact CG-CB 4.41Å; L418-W422 WeakPolarHBondContact O-CA 3.29Å; L418-W422 WeakPolarHBondContact O-CB 3.32Å; L418-W422 PolarHBondContact O-N 3.05Å
419	Y	93.3	Very high	90	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.027	28%	0.276	C	S	.	.	I	π-helix	trans	-58.5	-50	174.8	175.9	-112.2	0	0	0	111.5	E216 P384 T386 L389 M408 G415 K416 S421 V423 V424	E216-Y419 HydrophobicContact CG-CE1 4.5Å; P384-Y419 WeakPolarHBondContact O-CE2 3.48Å; P384-Y419 PolarHBondContact O-OH 2.85Å; T386-Y419 HydrophobicContact CG2-CD1 3.87Å; T386-Y419 HydrophobicContact CG2-CD2 4.06Å; T386-Y419 HydrophobicContact CG2-CE1 3.73Å; T386-Y419 HydrophobicContact CG2-CE2 3.92Å; T386-Y419 HydrophobicContact CG2-CG 4.04Å; L389-Y419 HydrophobicContact CD1-CD2 3.88Å; L389-Y419 HydrophobicContact CD1-CE2 3.9Å; M408-Y419 HydrophobicContact CB-CD2 4.36Å; G415-Y419 PolarHBondContact O-N 3.17Å; K416-Y419 PolarHBondContact O-N 3.37Å; K416-Y419 VanDerWaalsContact O-N 3.11Å; Y419-S421 PolarHBondContact O-N 3.44Å; Y419-V423 HydrophobicContact CD2-CB 3.76Å; Y419-V423 HydrophobicContact CD2-CG1 4.16Å; Y419-V423 HydrophobicContact CD2-CG2 3.83Å; Y419-V423 HydrophobicContact CE2-CB 3.83Å; Y419-V423 HydrophobicContact CE2-CG1 3.71Å; Y419-V423 HydrophobicContact CE2-CG2 4.21Å; Y419-V423 WeakPolarHBondContact O-CA 3.31Å; Y419-V423 VanDerWaalsContact O-CB 3.27Å; Y419-V423 WeakPolarHBondContact O-CB 3.33Å; Y419-V423 PolarHBondContact O-N 3.32Å; Y419-V424 HydrophobicContact CD1-CG2 4.11Å; Y419-V424 HydrophobicContact CE1-CG2 3.58Å; Y419-V424 HydrophobicContact CE2-CG2 4.34Å; Y419-V424 PolarHBondContact O-N 3.13Å; Y419-V424 VanDerWaalsContact O-N 3.12Å
420	L	92.5	Very high	91.1	Very high	57 Å²	57	50 Å²	50	30%	0.298	27%	0.267	S	S	.	.	I	π-helix	trans	-60.3	-45.3	-179.5	-67.4	177	0	0	0	112.2	N214 E217 K416 V424 E425	N214-L420 WeakPolarHBondContact ND2-CD2 3.42Å; E217-L420 HydrophobicContact CG-CD2 4.2Å; K416-L420 HydrophobicContact CG-CD1 4.04Å; K416-L420 HydrophobicContact CG-CG 4.39Å; K416-L420 WeakPolarHBondContact O-CG 3.43Å; K416-L420 PolarHBondContact O-N 2.85Å; L420-V424 WeakPolarHBondContact O-CB 3.24Å; L420-E425 VanDerWaalsContact O-CB 3.23Å; L420-E425 WeakPolarHBondContact O-CB 3.32Å; L420-E425 PolarHBondContact O-N 3.21Å
421	S	95.8	Very high	92	Very high	51 Å²	51	48 Å²	48	36%	0.357	25%	0.253	S	S	.	.	I	π-helix	trans	-79.1	-50.8	-177.7	58.6	0	0	0	0	112.9	E417 L418 Y419 A426	E417-S421 WeakPolarHBondContact O-CB 3.4Å; E417-S421 PolarHBondContact O-N 3.04Å; E417-S421 PolarHBondContact O-OG 3.47Å; L418-S421 PolarHBondContact O-OG 3.23Å; Y419-S421 PolarHBondContact O-N 3.44Å; S421-A426 WeakPolarHBondContact O-CB 3.31Å; S421-A426 PolarHBondContact O-N 2.87Å; S421-A426 VanDerWaalsContact O-N 3.12Å
422	W	96.6	Very high	93.1	Very high	52 Å²	52	47 Å²	47	20%	0.197	25%	0.247	C	C	.	.	I	π-helix	trans	-82.4	-30.6	-170.6	-166.2	86.4	0	0	0	113	M408 L418 A426 R428 I433 D436	M408-W422 HydrophobicContact CE-CD2 4.06Å; M408-W422 HydrophobicContact CE-CE3 3.34Å; M408-W422 HydrophobicContact CE-CZ3 3.78Å; M408-W422 HydrophobicContact SD-CE3 4.22Å; L418-W422 HydrophobicContact CD1-CB 3.94Å; L418-W422 HydrophobicContact CD1-CG 4.45Å; L418-W422 HydrophobicContact CG-CB 4.41Å; L418-W422 WeakPolarHBondContact O-CA 3.29Å; L418-W422 WeakPolarHBondContact O-CB 3.32Å; L418-W422 PolarHBondContact O-N 3.05Å; W422-A426 WeakPolarHBondContact O-CB 3.28Å; W422-R428 WeakPolarHBondContact O-CD 2.98Å; W422-R428 WeakPolarHBondContact O-CG 3.04Å; W422-R428 PolarHBondContact O-NH1 3.32Å; W422-I433 HydrophobicContact CH2-CG1 4.48Å; W422-I433 HydrophobicContact CH2-CG2 4.37Å; W422-I433 HydrophobicContact CZ3-CD1 4.48Å; W422-I433 HydrophobicContact CZ3-CG1 4.09Å; W422-I433 HydrophobicContact CZ3-CG2 4.28Å; W422-D436 HydrophobicContact CH2-CB 4.03Å; W422-D436 HydrophobicContact CZ2-CB 3.61Å
423	V	96.1	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-99.9	-60.3	179.5	-176.5	0	0	0	0	111	P383 L389 M408 Y419 R427 R428 I433	P383-V423 HydrophobicContact CB-CG1 3.83Å; L389-V423 HydrophobicContact CD1-CG2 3.99Å; M408-V423 HydrophobicContact CE-CG2 4.34Å; M408-V423 HydrophobicContact SD-CG2 3.65Å; Y419-V423 HydrophobicContact CD2-CB 3.76Å; Y419-V423 HydrophobicContact CD2-CG1 4.16Å; Y419-V423 HydrophobicContact CD2-CG2 3.83Å; Y419-V423 HydrophobicContact CE2-CB 3.83Å; Y419-V423 HydrophobicContact CE2-CG1 3.71Å; Y419-V423 HydrophobicContact CE2-CG2 4.21Å; Y419-V423 WeakPolarHBondContact O-CA 3.31Å; Y419-V423 VanDerWaalsContact O-CB 3.27Å; Y419-V423 WeakPolarHBondContact O-CB 3.33Å; Y419-V423 PolarHBondContact O-N 3.32Å; V423-R427 WeakPolarHBondContact O-CA 3.1Å; V423-R427 PolarHBondContact O-N 3.28Å; V423-R427 VanDerWaalsContact O-N 3.14Å; V423-R428 PolarHBondContact O-N 2.72Å; V423-I433 HydrophobicContact CG1-CD1 4.33Å; V423-I433 HydrophobicContact CG2-CD1 4.39Å
424	V	94.2	Very high	94.8	Very high	40 Å²	40	41.2 Å²	41.2	24%	0.242	20%	0.199	C	C	.	.	I	π-helix	trans	-73.6	-58.6	-170.1	-178.6	0	0	0	0	111.8	Y419 L420 R427	Y419-V424 HydrophobicContact CD1-CG2 4.11Å; Y419-V424 HydrophobicContact CE1-CG2 3.58Å; Y419-V424 HydrophobicContact CE2-CG2 4.34Å; Y419-V424 PolarHBondContact O-N 3.13Å; Y419-V424 VanDerWaalsContact O-N 3.12Å; L420-V424 WeakPolarHBondContact O-CB 3.24Å; V424-R427 WeakPolarHBondContact O-CD 3.19Å; V424-R427 PolarHBondContact O-N 2.65Å; V424-R427 VanDerWaalsContact O-N 3.09Å
425	E	94.9	Very high	95.4	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.491	18%	0.18	S	C	.	.	I	π-helix	trans	-68.7	-39.1	-175.4	-169.6	-174.4	-169.3	0	0	111.9	L420 R427 K484	L420-E425 VanDerWaalsContact O-CB 3.23Å; L420-E425 WeakPolarHBondContact O-CB 3.32Å; L420-E425 PolarHBondContact O-N 3.21Å; E425-R427 PolarHBondContact O-N 3.39Å; E425-K484 HydrophobicContact CG-CD 4.08Å; E425-K484 IonicContact OE1-NZ 3.12Å; E425-K484 PolarHBondContact OE1-NZ 2.93Å
426	A	97.3	Very high	95.9	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.8	174.1	0	0	0	0	0	114	S421 W422 R428 T483 K484 A485	S421-A426 WeakPolarHBondContact O-CB 3.31Å; S421-A426 PolarHBondContact O-N 2.87Å; S421-A426 VanDerWaalsContact O-N 3.12Å; W422-A426 WeakPolarHBondContact O-CB 3.28Å; A426-R428 VanDerWaalsContact C-N 3.29Å; A426-R428 HydrophobicContact CB-CG 4.49Å; A426-R428 VanDerWaalsContact CB-NH1 3.25Å; A426-R428 PolarHBondContact O-N 2.91Å; A426-T483 WeakPolarHBondContact O-CB 3.45Å; A426-K484 HydrophobicContact CB-CB 4.27Å; A426-A485 HydrophobicContact CB-CB 4.2Å
427	R	97.8	Very high	96.4	Very high	88 Å²	88	37.3 Å²	37.3	33%	0.332	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	42.8	176.2	-59.8	-64.9	-66.3	174.4	1.8	113.3	V423 V424 E425 H429 Y481 T483 N489	V423-R427 WeakPolarHBondContact O-CA 3.1Å; V423-R427 PolarHBondContact O-N 3.28Å; V423-R427 VanDerWaalsContact O-N 3.14Å; V424-R427 WeakPolarHBondContact O-CD 3.19Å; V424-R427 PolarHBondContact O-N 2.65Å; V424-R427 VanDerWaalsContact O-N 3.09Å; E425-R427 PolarHBondContact O-N 3.39Å; R427-H429 PolarHBondContact O-N 3.34Å; R427-Y481 HydrophobicContact CB-CE2 4.32Å; R427-Y481 HydrophobicContact CG-CE2 4.12Å; R427-Y481 PolarHBondContact NE-OH 3.45Å; R427-T483 HydrophobicContact CB-CG2 3.97Å; R427-N489 PolarHBondContact O-ND2 3.19Å
428	R	98.4	Very high	96.7	Very high	29 Å²	29	34.2 Å²	34.2	11%	0.109	17%	0.172	C	C	.	.			trans	-74.3	114.7	177.4	-75.1	-170.6	169.5	74.2	1	110.4	P383 P384 W422 V423 A426 A432 I433 D436 A485	P383-R428 WeakPolarHBondContact CA-O 3.36Å; P384-R428 VanDerWaalsContact CD-O 3.31Å; P384-R428 WeakPolarHBondContact CD-O 3.49Å; W422-R428 WeakPolarHBondContact O-CD 2.98Å; W422-R428 WeakPolarHBondContact O-CG 3.04Å; W422-R428 PolarHBondContact O-NH1 3.32Å; V423-R428 PolarHBondContact O-N 2.72Å; A426-R428 VanDerWaalsContact C-N 3.29Å; A426-R428 HydrophobicContact CB-CG 4.49Å; A426-R428 VanDerWaalsContact CB-NH1 3.25Å; A426-R428 PolarHBondContact O-N 2.91Å; R428-A432 HydrophobicContact CB-CB 4.09Å; R428-A432 HydrophobicContact CG-CB 4.15Å; R428-I433 HydrophobicContact CB-CG1 4.07Å; R428-D436 IonicContact CZ-OD2 3.85Å; R428-D436 IonicContact NE-OD2 2.82Å; R428-D436 PolarHBondContact NE-OD2 3.46Å; R428-D436 IonicContact NH2-OD2 2.64Å; R428-D436 PolarHBondContact NH2-OD2 3.15Å; R428-D436 VanDerWaalsContact NH2-OD2 3.09Å; R428-A485 HydrophobicContact CG-CB 4.01Å
429	H	98.3	Very high	97	Very high	20 Å²	20	32.4 Å²	32.4	9%	0.093	16%	0.164	C	C	.	.			trans	-78.1	169	167.5	55.5	62.4	0	0	0	111.5	I380 T381 R427 L431 A432 I433 N489	I380-H429 WeakPolarHBondContact O-CB 3.39Å; T381-H429 WeakPolarHBondContact O-CB 3.14Å; R427-H429 PolarHBondContact O-N 3.34Å; H429-L431 VanDerWaalsContact C-N 3.31Å; H429-L431 PolarHBondContact ND1-N 3.21Å; H429-L431 PolarHBondContact O-N 3.44Å; H429-A432 PolarHBondContact CE1-N 3.11Å; H429-A432 PolarHBondContact ND1-N 3.3Å; H429-A432 VanDerWaalsContact ND1-N 3.14Å; H429-A432 WeakPolarHBondContact O-CA 3.35Å; H429-A432 VanDerWaalsContact O-CB 3.31Å; H429-A432 WeakPolarHBondContact O-CB 3.39Å; H429-A432 PolarHBondContact O-N 3.19Å; H429-I433 PolarHBondContact O-N 3.15Å; H429-N489 PolarHBondContact CD2-OD1 2.7Å
430	I	98.6	Very high	97.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-53.8	-42	-175.3	-177.1	62.2	0	0	0	113.7	L337 I380 P384 L392 A432 I433 L434 L447 L451	L337-I430 HydrophobicContact CD1-CG2 4.23Å; L337-I430 HydrophobicContact CD2-CG2 4.19Å; I380-I430 HydrophobicContact CB-CG2 3.95Å; I380-I430 HydrophobicContact CG2-CG2 4.36Å; P384-I430 HydrophobicContact CG-CB 4.17Å; P384-I430 HydrophobicContact CG-CD1 4.36Å; L392-I430 HydrophobicContact CD1-CD1 3.9Å; I430-A432 VanDerWaalsContact C-N 3.28Å; I430-A432 PolarHBondContact O-N 3.3Å; I430-I433 PolarHBondContact O-N 2.92Å; I430-L434 HydrophobicContact CD1-CG 4.45Å; I430-L434 HydrophobicContact CG1-CD1 4.16Å; I430-L434 WeakPolarHBondContact O-CG 3.05Å; I430-L434 PolarHBondContact O-N 2.97Å; I430-L447 HydrophobicContact CD1-CD1 3.91Å; I430-L447 HydrophobicContact CG1-CD1 3.99Å; I430-L447 HydrophobicContact CG1-CD2 4.26Å; I430-L451 HydrophobicContact CB-CD2 4.26Å; I430-L451 HydrophobicContact CG1-CD2 4.33Å; I430-L451 HydrophobicContact CG2-CD2 4.28Å
431	L	98.7	Very high	97.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-36.1	176.1	177.8	65.8	0	0	0	112.6	L333 Q336 L337 I340 H429 I433 L434 Q435	L333-L431 HydrophobicContact CD1-CB 4.05Å; L333-L431 HydrophobicContact CD1-CD2 3.42Å; L333-L431 VanDerWaalsContact CD1-CD2 3.42Å; L333-L431 HydrophobicContact CD1-CG 4.37Å; Q336-L431 HydrophobicContact CB-CD1 4.21Å; Q336-L431 HydrophobicContact CB-CD2 3.62Å; Q336-L431 HydrophobicContact CG-CD2 4.49Å; L337-L431 HydrophobicContact CD2-CB 3.77Å; L337-L431 HydrophobicContact CD2-CD1 3.94Å; L337-L431 HydrophobicContact CD2-CG 4.45Å; L337-L431 HydrophobicContact CG-CB 4.09Å; L337-L431 HydrophobicContact CG-CD1 4.24Å; I340-L431 HydrophobicContact CD1-CD1 4.49Å; I340-L431 HydrophobicContact CG2-CD1 3.86Å; H429-L431 VanDerWaalsContact C-N 3.31Å; H429-L431 PolarHBondContact ND1-N 3.21Å; H429-L431 PolarHBondContact O-N 3.44Å; L431-I433 VanDerWaalsContact C-N 3.34Å; L431-L434 PolarHBondContact O-N 3.25Å; L431-Q435 HydrophobicContact CD1-CG 4.31Å; L431-Q435 HydrophobicContact CG-CG 4.42Å; L431-Q435 WeakPolarHBondContact O-CB 3.34Å; L431-Q435 VanDerWaalsContact O-CG 3.22Å; L431-Q435 WeakPolarHBondContact O-CG 3.35Å; L431-Q435 PolarHBondContact O-N 3.48Å
432	A	98.4	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.4	-38.6	179.6	0	0	0	0	0	110.8	R428 H429 I430 Q435 D436 R487	R428-A432 HydrophobicContact CB-CB 4.09Å; R428-A432 HydrophobicContact CG-CB 4.15Å; H429-A432 PolarHBondContact CE1-N 3.11Å; H429-A432 PolarHBondContact ND1-N 3.3Å; H429-A432 VanDerWaalsContact ND1-N 3.14Å; H429-A432 WeakPolarHBondContact O-CA 3.35Å; H429-A432 VanDerWaalsContact O-CB 3.31Å; H429-A432 WeakPolarHBondContact O-CB 3.39Å; H429-A432 PolarHBondContact O-N 3.19Å; I430-A432 VanDerWaalsContact C-N 3.28Å; I430-A432 PolarHBondContact O-N 3.3Å; A432-Q435 PolarHBondContact O-N 2.72Å; A432-D436 WeakPolarHBondContact O-CB 3.4Å; A432-D436 VanDerWaalsContact O-CG 3.31Å; A432-D436 PolarHBondContact O-N 2.76Å; A432-R487 PolarHBondContact O-NH2 3.33Å
433	I	98.4	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-45.2	175.4	-60.3	-175.4	0	0	0	110.6	P384 L389 L405 W422 V423 R428 H429 I430 L431 Q435 D436 C437 L440	P384-I433 HydrophobicContact CG-CD1 3.9Å; L389-I433 HydrophobicContact CD2-CD1 3.63Å; L389-I433 HydrophobicContact CD2-CG2 4.48Å; L405-I433 HydrophobicContact CD2-CG2 4.29Å; W422-I433 HydrophobicContact CH2-CG1 4.48Å; W422-I433 HydrophobicContact CH2-CG2 4.37Å; W422-I433 HydrophobicContact CZ3-CD1 4.48Å; W422-I433 HydrophobicContact CZ3-CG1 4.09Å; W422-I433 HydrophobicContact CZ3-CG2 4.28Å; V423-I433 HydrophobicContact CG1-CD1 4.33Å; V423-I433 HydrophobicContact CG2-CD1 4.39Å; R428-I433 HydrophobicContact CB-CG1 4.07Å; H429-I433 PolarHBondContact O-N 3.15Å; I430-I433 PolarHBondContact O-N 2.92Å; L431-I433 VanDerWaalsContact C-N 3.34Å; I433-Q435 PolarHBondContact O-N 3.24Å; I433-D436 PolarHBondContact O-N 3.08Å; I433-C437 WeakPolarHBondContact O-CB 3.05Å; I433-C437 PolarHBondContact O-N 3.47Å; I433-L440 HydrophobicContact CG2-CD2 4.21Å
434	L	98.5	Very high	97.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-29	176.2	-67.5	168.1	0	0	0	113.2	L337 I340 L341 I430 L431 L440 P442	L337-L434 HydrophobicContact CD2-CD1 3.64Å; I340-L434 HydrophobicContact CD1-CB 4Å; I340-L434 WeakPolarHBondContact CD1-O 3.41Å; I340-L434 HydrophobicContact CG2-CB 4.27Å; I340-L434 HydrophobicContact CG2-CD1 4.07Å; L341-L434 HydrophobicContact CD2-CD1 3.94Å; L341-L434 HydrophobicContact CD2-CD2 4.07Å; L341-L434 HydrophobicContact CG-CD1 4.36Å; I430-L434 HydrophobicContact CD1-CG 4.45Å; I430-L434 HydrophobicContact CG1-CD1 4.16Å; I430-L434 WeakPolarHBondContact O-CG 3.05Å; I430-L434 PolarHBondContact O-N 2.97Å; L431-L434 PolarHBondContact O-N 3.25Å; L434-L440 HydrophobicContact CD2-CB 4.39Å; L434-L440 HydrophobicContact CD2-CD2 3.84Å; L434-L440 HydrophobicContact CD2-CG 3.81Å; L434-P442 HydrophobicContact CD2-CG 4.14Å
435	Q	98.4	Very high	98	Very high	79 Å²	79	32.6 Å²	32.6	37%	0.369	16%	0.158	S	C	.	.	H	α-helix	trans	-77.4	-42.5	175	-74.6	170.4	-12.3	0	0	112.4	I340 L431 A432 I433	I340-Q435 HydrophobicContact CD1-CB 4.47Å; I340-Q435 HydrophobicContact CD1-CG 3.76Å; L431-Q435 HydrophobicContact CD1-CG 4.31Å; L431-Q435 HydrophobicContact CG-CG 4.42Å; L431-Q435 WeakPolarHBondContact O-CB 3.34Å; L431-Q435 VanDerWaalsContact O-CG 3.22Å; L431-Q435 WeakPolarHBondContact O-CG 3.35Å; L431-Q435 PolarHBondContact O-N 3.48Å; A432-Q435 PolarHBondContact O-N 2.72Å; I433-Q435 PolarHBondContact O-N 3.24Å
436	D	98	Very high	98.1	Very high	59 Å²	59	27.7 Å²	27.7	32%	0.316	14%	0.135	S	C	.	.	H	α-helix	trans	-81.1	-20	-176.7	-66.7	-5.1	0	0	0	112.3	W422 R428 A432 I433 P438 R487	W422-D436 HydrophobicContact CH2-CB 4.03Å; W422-D436 HydrophobicContact CZ2-CB 3.61Å; R428-D436 IonicContact CZ-OD2 3.85Å; R428-D436 IonicContact NE-OD2 2.82Å; R428-D436 PolarHBondContact NE-OD2 3.46Å; R428-D436 IonicContact NH2-OD2 2.64Å; R428-D436 PolarHBondContact NH2-OD2 3.15Å; R428-D436 VanDerWaalsContact NH2-OD2 3.09Å; A432-D436 WeakPolarHBondContact O-CB 3.4Å; A432-D436 VanDerWaalsContact O-CG 3.31Å; A432-D436 PolarHBondContact O-N 2.76Å; I433-D436 PolarHBondContact O-N 3.08Å; D436-P438 WeakPolarHBondContact O-CD 3.34Å; D436-R487 IonicContact OD1-CZ 2.76Å; D436-R487 IonicContact OD1-NH1 3.4Å; D436-R487 PolarHBondContact OD1-NH1 3.01Å; D436-R487 IonicContact OD1-NH2 3.29Å; D436-R487 PolarHBondContact OD1-NH2 2.94Å; D436-R487 IonicContact OD2-CZ 3.9Å; D436-R487 IonicContact OD2-NH1 3.58Å; D436-R487 PolarHBondContact OD2-NH1 3.47Å; D436-R487 IonicContact OD2-NH2 2.78Å
437	C	97.4	Very high	98.2	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.02	13%	0.133	C	C	.	.	S	Bend	trans	-116.1	76	170.8	-62.8	0	0	0	0	109.9	E401 I433 S439 L440	E401-C437 HydrophobicContact CG-CB 4.38Å; E401-C437 VanDerWaalsContact OE2-CA 3.28Å; E401-C437 WeakPolarHBondContact OE2-CA 3.45Å; E401-C437 WeakPolarHBondContact OE2-CB 3.32Å; I433-C437 WeakPolarHBondContact O-CB 3.05Å; I433-C437 PolarHBondContact O-N 3.47Å; C437-S439 PolarHBondContact O-N 2.89Å; C437-S439 VanDerWaalsContact O-N 3.14Å; C437-L440 HydrophobicContact CB-CB 4.15Å; C437-L440 VanDerWaalsContact O-CB 3.27Å; C437-L440 WeakPolarHBondContact O-CB 3.45Å; C437-L440 PolarHBondContact O-N 3.21Å
438	P	97.4	Very high	98.2	Very high	67 Å²	67	23.3 Å²	23.3	44%	0.435	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-172	25.9	-37.5	0	0	0	114.9	E401 D436 L440 R441	E401-P438 VanDerWaalsContact OE1-CD 3.23Å; E401-P438 WeakPolarHBondContact OE1-CD 3.49Å; D436-P438 WeakPolarHBondContact O-CD 3.34Å; P438-L440 VanDerWaalsContact C-N 3.3Å; P438-R441 VanDerWaalsContact O-CZ 3.27Å; P438-R441 PolarHBondContact O-NE 3.02Å; P438-R441 PolarHBondContact O-NH2 3.22Å
439	S	98.1	Very high	98.1	Very high	12 Å²	12	22.7 Å²	22.7	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.9	175.4	86.5	0	0	0	0	112.7	S397 E398 E401 C437 R441	S397-S439 PolarHBondContact N-O 2.87Å; S397-S439 PolarHBondContact N-OG 2.77Å; S397-S439 WeakPolarHBondContact OG-CB 3.4Å; E398-S439 VanDerWaalsContact CB-CB 3.46Å; E398-S439 WeakPolarHBondContact CB-OG 3.48Å; E398-S439 PolarHBondContact N-OG 3.01Å; E401-S439 VanDerWaalsContact CD-OG 3.24Å; E401-S439 WeakPolarHBondContact OE2-CA 3.49Å; E401-S439 WeakPolarHBondContact OE2-CB 3.46Å; E401-S439 PolarHBondContact OE2-N 2.86Å; E401-S439 PolarHBondContact OE2-OG 2.84Å; C437-S439 PolarHBondContact O-N 2.89Å; C437-S439 VanDerWaalsContact O-N 3.14Å; S439-R441 PolarHBondContact O-N 2.87Å; S439-R441 VanDerWaalsContact O-N 3.15Å
440	L	98.3	Very high	98	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-73.4	102.6	179.1	-179.3	59.8	0	0	0	110.5	L392 A396 L405 I433 L434 C437 P438 P442	L392-L440 HydrophobicContact CB-CD1 4.12Å; L392-L440 WeakPolarHBondContact O-CD1 3.28Å; A396-L440 HydrophobicContact CB-CB 4.5Å; A396-L440 HydrophobicContact CB-CD1 4.35Å; L405-L440 HydrophobicContact CD1-CD1 4.01Å; L405-L440 HydrophobicContact CD1-CD2 3.93Å; L405-L440 HydrophobicContact CD1-CG 4.4Å; I433-L440 HydrophobicContact CG2-CD2 4.21Å; L434-L440 HydrophobicContact CD2-CB 4.39Å; L434-L440 HydrophobicContact CD2-CD2 3.84Å; L434-L440 HydrophobicContact CD2-CG 3.81Å; C437-L440 HydrophobicContact CB-CB 4.15Å; C437-L440 VanDerWaalsContact O-CB 3.27Å; C437-L440 WeakPolarHBondContact O-CB 3.45Å; C437-L440 PolarHBondContact O-N 3.21Å; P438-L440 VanDerWaalsContact C-N 3.3Å; L440-P442 VanDerWaalsContact C-CD 3.46Å
441	R	98	Very high	97.9	Very high	124 Å²	124	23 Å²	23	47%	0.468	12%	0.118	S	C	.	.			trans	-127	65.9	-179	-58.9	-64	168.5	167.8	-4.2	111.6	I340 Y395 P438 S439	I340-R441 VanDerWaalsContact CG1-NH1 3.27Å; I340-R441 PolarHBondContact O-NH1 3.12Å; Y395-R441 PolarHBondContact O-N 3.31Å; P438-R441 VanDerWaalsContact O-CZ 3.27Å; P438-R441 PolarHBondContact O-NE 3.02Å; P438-R441 PolarHBondContact O-NH2 3.22Å; S439-R441 PolarHBondContact O-N 2.87Å; S439-R441 VanDerWaalsContact O-N 3.15Å
442	P	97.8	Very high	97.7	Very high	4 Å²	4	25 Å²	25	3%	0.026	13%	0.131	C	C	.	.			trans	-68.8	151.6	178.9	31.5	-37.6	0	0	0	111.4	L341 L392 Y395 L434 L440	L341-P442 HydrophobicContact CD2-CG 3.93Å; L392-P442 HydrophobicContact CD2-CB 3.55Å; L392-P442 HydrophobicContact CD2-CG 3.82Å; Y395-P442 HydrophobicContact CD2-CB 3.58Å; Y395-P442 HydrophobicContact CE2-CB 4.25Å; Y395-P442 HydrophobicContact CG-CB 3.86Å; L434-P442 HydrophobicContact CD2-CG 4.14Å; L440-P442 VanDerWaalsContact C-CD 3.46Å
443	P	98.4	Very high	97.6	Very high	52 Å²	52	28.7 Å²	28.7	34%	0.338	15%	0.145	S	C	.	.			trans	-67.6	139.5	170.1	32.8	-35.9	0	0	0	109.9	Y395 D445 H446 L447	Y395-P443 VanDerWaalsContact CE1-CD 3.44Å; Y395-P443 HydrophobicContact CE1-CG 4.05Å; P443-D445 VanDerWaalsContact C-N 3.27Å; P443-D445 WeakPolarHBondContact CB-OD1 3.09Å; P443-D445 PolarHBondContact O-N 2.69Å; P443-H446 HydrophobicContact CG-CB 3.96Å; P443-H446 PolarHBondContact O-N 2.93Å; P443-L447 PolarHBondContact O-N 3.47Å; P443-L447 VanDerWaalsContact O-N 3.13Å
444	I	98.6	Very high	97.6	Very high	15 Å²	15	29 Å²	29	8%	0.077	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-31.7	-170.7	-172.8	166.1	0	0	0	113.1	L341 A343 L345 Y370 L374 L447 C448	L341-I444 HydrophobicContact CD1-CB 4.27Å; L341-I444 HydrophobicContact CD1-CG1 4.21Å; A343-I444 HydrophobicContact CB-CB 3.9Å; A343-I444 HydrophobicContact CB-CD1 3.74Å; A343-I444 HydrophobicContact CB-CG1 4.43Å; A343-I444 HydrophobicContact CB-CG2 3.76Å; L345-I444 HydrophobicContact CD2-CD1 3.43Å; L345-I444 VanDerWaalsContact CD2-CD1 3.43Å; Y370-I444 HydrophobicContact CD1-CD1 4.22Å; Y370-I444 HydrophobicContact CD1-CG1 4.02Å; Y370-I444 HydrophobicContact CD1-CG2 4.18Å; Y370-I444 HydrophobicContact CD2-CD1 4.25Å; Y370-I444 HydrophobicContact CD2-CG2 4.02Å; Y370-I444 HydrophobicContact CE1-CG1 4.41Å; Y370-I444 HydrophobicContact CE1-CG2 3.86Å; Y370-I444 HydrophobicContact CE2-CG2 3.68Å; Y370-I444 HydrophobicContact CG-CD1 3.86Å; Y370-I444 HydrophobicContact CG-CG1 4.17Å; Y370-I444 HydrophobicContact CG-CG2 4.26Å; L374-I444 HydrophobicContact CD1-CD1 4.21Å; I444-L447 PolarHBondContact O-N 2.85Å; I444-C448 WeakPolarHBondContact O-CB 3.28Å; I444-C448 PolarHBondContact O-N 2.85Å; I444-C448 PolarHBondContact O-SG 3.47Å
445	D	98.4	Very high	97.4	Very high	14 Å²	14	31.5 Å²	31.5	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-42.3	-179.6	66.4	-59.7	0	0	0	111.7	R246 L250 L351 Y370 P443 L447 C448 E449	R246-D445 IonicContact CZ-OD2 2.6Å; R246-D445 VanDerWaalsContact CZ-OD2 3.22Å; R246-D445 IonicContact NH1-OD2 3.7Å; R246-D445 PolarHBondContact NH1-OD2 3.45Å; R246-D445 IonicContact NH2-OD2 2.94Å; R246-D445 PolarHBondContact NH2-OD2 2.77Å; L250-D445 HydrophobicContact CB-CB 4.38Å; L250-D445 HydrophobicContact CD1-CB 3.91Å; L250-D445 HydrophobicContact CD2-CB 3.93Å; L250-D445 HydrophobicContact CG-CB 4.28Å; L351-D445 HydrophobicContact CD2-CB 4.24Å; Y370-D445 HydrophobicContact CE1-CB 4.1Å; Y370-D445 WeakPolarHBondContact OH-CB 3.29Å; P443-D445 VanDerWaalsContact C-N 3.27Å; P443-D445 WeakPolarHBondContact CB-OD1 3.09Å; P443-D445 PolarHBondContact O-N 2.69Å; D445-L447 VanDerWaalsContact C-N 3.34Å; D445-C448 PolarHBondContact O-N 3.03Å; D445-E449 PolarHBondContact O-N 2.95Å
446	H	98.1	Very high	97.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-37.1	175.2	-165.2	-171.3	0	0	0	110.7	Y395 P443 C448 E449 L450	Y395-H446 AromaticContact CE2-ND1 3.46Å; Y395-H446 WeakPolarHBondContact CE2-ND1 3.26Å; Y395-H446 AromaticContact CZ-ND1 3.56Å; Y395-H446 PolarHBondContact OH-ND1 3.18Å; P443-H446 HydrophobicContact CG-CB 3.96Å; P443-H446 PolarHBondContact O-N 2.93Å; H446-C448 VanDerWaalsContact C-N 3.32Å; H446-C448 PolarHBondContact O-N 3.2Å; H446-E449 IonicContact CD2-OE2 3.63Å; H446-E449 WeakPolarHBondContact O-CB 3.34Å; H446-E449 PolarHBondContact O-N 3.41Å; H446-L450 VanDerWaalsContact O-CG 3.29Å; H446-L450 WeakPolarHBondContact O-CG 3.36Å; H446-L450 PolarHBondContact O-N 3.41Å
447	L	98.2	Very high	97.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-42.7	171.7	-177.8	64.3	0	0	0	111.8	L341 L392 I430 P443 I444 D445 E449 L450 L451	L341-L447 HydrophobicContact CD1-CD2 3.68Å; L392-L447 HydrophobicContact CD1-CD1 4Å; L392-L447 HydrophobicContact CD2-CD1 4.17Å; I430-L447 HydrophobicContact CD1-CD1 3.91Å; I430-L447 HydrophobicContact CG1-CD1 3.99Å; I430-L447 HydrophobicContact CG1-CD2 4.26Å; P443-L447 PolarHBondContact O-N 3.47Å; P443-L447 VanDerWaalsContact O-N 3.13Å; I444-L447 PolarHBondContact O-N 2.85Å; D445-L447 VanDerWaalsContact C-N 3.34Å; L447-E449 VanDerWaalsContact C-N 3.26Å; L447-E449 PolarHBondContact O-N 2.84Å; L447-L450 PolarHBondContact O-N 3.34Å; L447-L451 HydrophobicContact CD1-CD1 4.14Å; L447-L451 HydrophobicContact CD1-CD2 4.27Å; L447-L451 HydrophobicContact CD1-CG 3.96Å; L447-L451 HydrophobicContact CD2-CD1 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.82Å; L447-L451 HydrophobicContact CG-CG 4.12Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.26Å
448	C	98.4	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-30.4	177.2	-70.2	0	0	0	0	112.9	L351 F364 L378 I444 D445 H446	L351-C448 HydrophobicContact CD1-CB 4.2Å; F364-C448 HydrophobicContact CE1-CB 4.07Å; F364-C448 HydrophobicContact CZ-CB 4.11Å; L378-C448 HydrophobicContact CD1-CB 3.82Å; I444-C448 WeakPolarHBondContact O-CB 3.28Å; I444-C448 PolarHBondContact O-N 2.85Å; I444-C448 PolarHBondContact O-SG 3.47Å; D445-C448 PolarHBondContact O-N 3.03Å; H446-C448 VanDerWaalsContact C-N 3.32Å; H446-C448 PolarHBondContact O-N 3.2Å
449	E	96.6	Very high	97.4	Very high	17 Å²	17	29.4 Å²	29.4	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-69.5	-37.5	172.5	158.6	174.9	-174.3	0	0	112.6	R246 Q247 Y248 L351 D445 H446 L447	R246-E449 IonicContact CZ-OE2 2.64Å; R246-E449 IonicContact NE-OE2 3.81Å; R246-E449 PolarHBondContact NE-OE2 3.28Å; R246-E449 IonicContact NH2-OE2 3.9Å; R246-E449 PolarHBondContact NH2-OE2 2.98Å; Q247-E449 WeakPolarHBondContact CA-OE1 3.36Å; Q247-E449 WeakPolarHBondContact CB-OE1 3.35Å; Q247-E449 PolarHBondContact N-OE1 3.25Å; Y248-E449 HydrophobicContact CD2-CB 4.35Å; Y248-E449 HydrophobicContact CD2-CG 3.75Å; Y248-E449 HydrophobicContact CE2-CG 4.38Å; Y248-E449 PolarHBondContact N-OE1 2.83Å; L351-E449 HydrophobicContact CD1-CB 4.25Å; D445-E449 PolarHBondContact O-N 2.95Å; H446-E449 IonicContact CD2-OE2 3.63Å; H446-E449 WeakPolarHBondContact O-CB 3.34Å; H446-E449 PolarHBondContact O-N 3.41Å; L447-E449 VanDerWaalsContact C-N 3.26Å; L447-E449 PolarHBondContact O-N 2.84Å
450	L	94.9	Very high	97.4	Very high	16 Å²	16	29.2 Å²	29.2	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-83.5	-30	-175.4	-66.9	171.1	0	0	0	113.7	V388 E391 L392 H446 L447	V388-L450 HydrophobicContact CG1-CB 4.14Å; V388-L450 HydrophobicContact CG2-CB 4.37Å; V388-L450 WeakPolarHBondContact CG2-O 3.25Å; E391-L450 HydrophobicContact CB-CD1 3.81Å; E391-L450 HydrophobicContact CB-CD2 3.91Å; E391-L450 HydrophobicContact CG-CD2 3.96Å; L392-L450 HydrophobicContact CD2-CD1 3.86Å; L392-L450 HydrophobicContact CG-CD1 4.06Å; H446-L450 VanDerWaalsContact O-CG 3.29Å; H446-L450 WeakPolarHBondContact O-CG 3.36Å; H446-L450 PolarHBondContact O-N 3.41Å; L447-L450 PolarHBondContact O-N 3.34Å
451	L	96.5	Very high	97.4	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.058	14%	0.135	C	C	.	.	S	Bend	trans	-69	138.2	-177.9	-73.1	171.3	0	0	0	111.3	L374 L378 I380 I430 L447	L374-L451 HydrophobicContact CD2-CD1 4.23Å; L378-L451 HydrophobicContact CB-CB 4.36Å; L378-L451 HydrophobicContact CD1-CB 4.48Å; L378-L451 HydrophobicContact CD1-CD1 4.39Å; L378-L451 HydrophobicContact CD2-CB 4.15Å; I380-L451 HydrophobicContact CG2-CD1 3.96Å; I430-L451 HydrophobicContact CB-CD2 4.26Å; I430-L451 HydrophobicContact CG1-CD2 4.33Å; I430-L451 HydrophobicContact CG2-CD2 4.28Å; L447-L451 HydrophobicContact CD1-CD1 4.14Å; L447-L451 HydrophobicContact CD1-CD2 4.27Å; L447-L451 HydrophobicContact CD1-CG 3.96Å; L447-L451 HydrophobicContact CD2-CD1 4.35Å; L447-L451 HydrophobicContact CG-CD1 3.82Å; L447-L451 HydrophobicContact CG-CG 4.12Å; L447-L451 VanDerWaalsContact O-CG 3.27Å; L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.26Å
452	P	94.8	Very high	97.5	Very high	47 Å²	47	23.2 Å²	23.2	31%	0.305	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-69.6	161.3	178.1	27.6	-31.2	0	0	0	111.5	L378 D379	L378-P452 CarbonylContact C-O 3.59Å; L378-P452 WeakPolarHBondContact CA-O 3.32Å; D379-P452 HydrophobicContact CB-CG 4.21Å; D379-P452 PolarHBondContact N-O 2.92Å
453	R	97.3	Very high	97.5	Very high	78 Å²	78	23 Å²	23	29%	0.294	11%	0.112	S	C	.	.	B	Isolated β-bridge	trans	-68.9	139.4	179.3	-67.3	-65.3	-62	-76.1	-10	112.3	P363 Y377 Q455	P363-R453 WeakPolarHBondContact O-CD 3.09Å; P363-R453 PolarHBondContact O-NH1 2.81Å; P363-R453 VanDerWaalsContact O-NH1 3.08Å; Y377-R453 CarbonylContact O-C 3.56Å; Y377-R453 VanDerWaalsContact O-CA 3.27Å; Y377-R453 WeakPolarHBondContact O-CA 3.3Å; Y377-R453 WeakPolarHBondContact O-CD 3.28Å; Y377-R453 PolarHBondContact O-NE 3.4Å; Y377-R453 VanDerWaalsContact O-NE 3.16Å; R453-Q455 PolarHBondContact O-N 3.03Å; R453-Q455 PolarHBondContact O-NE2 3.08Å
454	L	96.8	Very high	97.5	Very high	6 Å²	6	20.6 Å²	20.6	3%	0.031	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-66.3	117.7	170.3	-173.8	65.4	0	0	0	109.8	P327 Y377 V492	P327-L454 HydrophobicContact CG-CD2 4.26Å; P327-L454 HydrophobicContact CG-CG 4.49Å; P327-L454 WeakPolarHBondContact O-CD2 3.35Å; Y377-L454 PolarHBondContact O-N 3.41Å; L454-V492 HydrophobicContact CD1-CG1 4.28Å
455	Q	95.6	Very high	97.5	Very high	53 Å²	53	20.7 Å²	20.7	25%	0.248	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-84.7	153.9	-177.8	-58.9	-58.1	-45.5	0	0	113.1	T91 R453 R457	T91-Q455 WeakPolarHBondContact O-CG 3.47Å; T91-Q455 PolarHBondContact O-NE2 3.44Å; T91-Q455 PolarHBondContact O-OE1 3.03Å; R453-Q455 PolarHBondContact O-N 3.03Å; R453-Q455 PolarHBondContact O-NE2 3.08Å; Q455-R457 WeakPolarHBondContact O-CD 3.48Å; Q455-R457 PolarHBondContact O-NH1 2.94Å
456	A	95.9	Very high	97.5	Very high	12 Å²	12	23.6 Å²	23.6	10%	0.099	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-66.4	151.1	164.3	0	0	0	0	0	110.5	A324 V325 Y326 F515	A324-A456 HydrophobicContact CB-CB 4.22Å; V325-A456 CarbonylContact O-C 3.6Å; V325-A456 WeakPolarHBondContact O-CA 3.36Å; V325-A456 WeakPolarHBondContact O-CB 3.29Å; Y326-A456 HydrophobicContact CD1-CB 3.96Å; Y326-A456 HydrophobicContact CE1-CB 3.78Å; Y326-A456 HydrophobicContact CE2-CB 4.44Å; Y326-A456 HydrophobicContact CG-CB 4.37Å; A456-F515 HydrophobicContact CB-CE1 4.27Å
457	R	98.1	Very high	97.6	Very high	60 Å²	60	26.4 Å²	26.4	23%	0.226	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	175.4	-88.6	65.6	-176.2	-175.4	2.9	109.9	A324 V325 D379 Q455 Y459 A493	A324-R457 WeakPolarHBondContact CA-O 3.33Å; V325-R457 HydrophobicContact CG2-CB 4.46Å; V325-R457 PolarHBondContact N-O 3.34Å; V325-R457 PolarHBondContact O-N 3.45Å; D379-R457 IonicContact OD2-NH2 2.74Å; Q455-R457 WeakPolarHBondContact O-CD 3.48Å; Q455-R457 PolarHBondContact O-NH1 2.94Å; R457-Y459 HydrophobicContact CB-CE2 4.25Å; R457-A493 HydrophobicContact CB-CB 3.65Å; R457-A493 HydrophobicContact CG-CB 3.71Å
458	Y	97.3	Very high	97.6	Very high	63 Å²	63	29.1 Å²	29.1	25%	0.247	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.1	-177.6	-64.9	-93.7	0	0	0	111.1	H322 V323 A324 R517	H322-Y458 HydrophobicContact CB-CD1 4.18Å; V323-Y458 CarbonylContact O-C 3.58Å; V323-Y458 WeakPolarHBondContact O-CA 3.4Å; A324-Y458 HydrophobicContact CB-CD1 3.73Å; A324-Y458 HydrophobicContact CB-CE1 3.6Å; A324-Y458 HydrophobicContact CB-CG 4.36Å; Y458-R517 HydrophobicContact CE1-CB 4.08Å
459	Y	98.7	Very high	97.6	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.114	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.9	171.7	-60	-84.1	0	0	0	109.3	H322 V323 V325 R457 I461 I474 A476 A493 T494 L497	H322-Y459 CarbonylContact C-O 3.59Å; H322-Y459 WeakPolarHBondContact CA-O 3.18Å; V323-Y459 WeakPolarHBondContact CG1-O 3.3Å; V323-Y459 PolarHBondContact N-O 3.5Å; V323-Y459 PolarHBondContact O-N 2.91Å; V325-Y459 HydrophobicContact CG2-CD2 4.4Å; V325-Y459 HydrophobicContact CG2-CE2 3.76Å; R457-Y459 HydrophobicContact CB-CE2 4.25Å; Y459-I461 PolarHBondContact O-N 3.44Å; Y459-I474 HydrophobicContact CD1-CG2 3.81Å; Y459-I474 HydrophobicContact CD2-CD1 4.07Å; Y459-I474 HydrophobicContact CD2-CG2 4.23Å; Y459-I474 HydrophobicContact CE1-CG2 4.43Å; Y459-I474 HydrophobicContact CG-CD1 4.4Å; Y459-I474 HydrophobicContact CG-CG2 3.7Å; Y459-A476 HydrophobicContact CD1-CB 3.97Å; Y459-A476 HydrophobicContact CE1-CB 3.64Å; Y459-A493 WeakPolarHBondContact OH-CB 3.39Å; Y459-T494 HydrophobicContact CE1-CG2 4.32Å; Y459-T494 VanDerWaalsContact OH-CG2 3.29Å; Y459-T494 WeakPolarHBondContact OH-CG2 3.28Å; Y459-L497 HydrophobicContact CE2-CD1 3.71Å
460	S	98.7	Very high	97.7	Very high	8 Å²	8	35.7 Å²	35.7	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	127.3	171.5	-46.5	0	0	0	0	109.9	A462 D677	S460-A462 PolarHBondContact O-N 2.61Å; S460-D677 VanDerWaalsContact CB-OD2 3.29Å; S460-D677 WeakPolarHBondContact CB-OD2 3.46Å; S460-D677 PolarHBondContact OG-OD2 3.01Å
461	I	98.9	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-67.6	122.2	-176.1	-64.7	176	0	0	0	109.6	Y317 D321 V323 Y459 S463 V472 V516	Y317-I461 HydrophobicContact CD2-CD1 3.9Å; Y317-I461 HydrophobicContact CD2-CG2 3.84Å; Y317-I461 HydrophobicContact CE2-CG2 3.6Å; Y317-I461 HydrophobicContact CG-CD1 4.13Å; D321-I461 HydrophobicContact CB-CD1 3.87Å; D321-I461 WeakPolarHBondContact O-CB 3.47Å; D321-I461 VanDerWaalsContact O-CG1 3.28Å; D321-I461 WeakPolarHBondContact O-CG1 3.33Å; D321-I461 PolarHBondContact O-N 3.18Å; V323-I461 HydrophobicContact CB-CD1 4.3Å; V323-I461 HydrophobicContact CB-CG1 3.98Å; V323-I461 HydrophobicContact CG1-CG1 3.9Å; Y459-I461 PolarHBondContact O-N 3.44Å; I461-S463 VanDerWaalsContact C-N 3.31Å; I461-S463 WeakPolarHBondContact CG2-OG 3.29Å; I461-S463 PolarHBondContact O-N 3.18Å; I461-V472 HydrophobicContact CD1-CG1 3.95Å; I461-V472 HydrophobicContact CG1-CG1 3.81Å; I461-V472 HydrophobicContact CG2-CG1 4.04Å; I461-V516 HydrophobicContact CD1-CG1 4.32Å; I461-V516 HydrophobicContact CD1-CG2 4.27Å
462	A	98.9	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.			trans	-94	25.6	-175.7	0	0	0	0	0	113.9	S460 H473 C475 A541 I544	S460-A462 PolarHBondContact O-N 2.61Å; A462-H473 HydrophobicContact CB-CB 4.15Å; A462-H473 PolarHBondContact N-O 3.01Å; A462-C475 HydrophobicContact CB-CB 4.21Å; A462-A541 WeakPolarHBondContact CA-O 3.4Å; A462-A541 HydrophobicContact CB-CB 4.39Å; A462-A541 WeakPolarHBondContact CB-O 3.49Å; A462-I544 WeakPolarHBondContact O-CG2 3.3Å
463	S	98.9	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-137.8	159.3	178.5	51.8	0	0	0	0	112.1	Y317 S319 I461 S471 H473 G545 Q548	Y317-S463 PolarHBondContact OH-OG 2.75Å; S319-S463 PolarHBondContact OG-O 3.38Å; I461-S463 VanDerWaalsContact C-N 3.31Å; I461-S463 WeakPolarHBondContact CG2-OG 3.29Å; I461-S463 PolarHBondContact O-N 3.18Å; S463-S471 PolarHBondContact OG-O 3.27Å; S463-H473 VanDerWaalsContact CB-CG 3.47Å; S463-H473 PolarHBondContact OG-N 3.33Å; S463-G545 VanDerWaalsContact C-CA 3.47Å; S463-Q548 VanDerWaalsContact CA-OE1 3.28Å
464	S	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.			trans	-100	133.1	165.6	172.5	0	0	0	0	111.2	S319 K466 V467 H468 G545 E549	S319-S464 WeakPolarHBondContact OG-CA 3.39Å; S319-S464 VanDerWaalsContact OG-CB 3.28Å; S319-S464 WeakPolarHBondContact OG-CB 3.22Å; S464-K466 PolarHBondContact O-N 3.43Å; S464-K466 WeakPolarHBondContact OG-CB 3.2Å; S464-K466 PolarHBondContact OG-N 2.59Å; S464-K466 VanDerWaalsContact OG-N 3.12Å; S464-V467 PolarHBondContact O-N 2.93Å; S464-H468 PolarHBondContact O-N 3.45Å; S464-G545 WeakPolarHBondContact CB-O 3.43Å; S464-E549 WeakPolarHBondContact OG-CB 3.37Å; S464-E549 PolarHBondContact OG-OE2 3.42Å
465	S	98.7	Very high	98.3	Very high	17 Å²	17	29.4 Å²	29.4	12%	0.119	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	173.8	64.3	0	0	0	0	113	Y317 V467 P469	Y317-S465 WeakPolarHBondContact O-CB 3.42Å; Y317-S465 PolarHBondContact O-OG 3.13Å; Y317-S465 PolarHBondContact OH-N 3.27Å; S465-V467 VanDerWaalsContact C-N 3.26Å; S465-P469 WeakPolarHBondContact O-CA 3.15Å; S465-P469 WeakPolarHBondContact O-CB 3.49Å
466	K	98.6	Very high	98.5	Very high	75 Å²	75	27.1 Å²	27.1	33%	0.326	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.3	171.6	-49.8	-53.3	174.3	-138.9	0	112.6	E318 S464 E549 W552	E318-K466 IonicContact OE1-NZ 2.69Å; E318-K466 PolarHBondContact OE1-NZ 3.19Å; E318-K466 WeakPolarHBondContact OE2-CE 3.26Å; E318-K466 IonicContact OE2-NZ 2.87Å; E318-K466 PolarHBondContact OE2-NZ 3.17Å; S464-K466 PolarHBondContact O-N 3.43Å; S464-K466 WeakPolarHBondContact OG-CB 3.2Å; S464-K466 PolarHBondContact OG-N 2.59Å; S464-K466 VanDerWaalsContact OG-N 3.12Å; K466-E549 HydrophobicContact CB-CG 4.49Å; K466-E549 HydrophobicContact CG-CG 3.95Å; K466-W552 HydrophobicContact CB-CD2 3.85Å; K466-W552 HydrophobicContact CB-CE3 3.91Å; K466-W552 HydrophobicContact CB-CG 4.28Å; K466-W552 HydrophobicContact CB-CZ2 4.48Å; K466-W552 HydrophobicContact CB-CZ3 4.26Å; K466-W552 HydrophobicContact CG-CE3 4.16Å; K466-W552 HydrophobicContact CG-CZ3 4.17Å
467	V	98.7	Very high	98.6	Very high	61 Å²	61	28.7 Å²	28.7	37%	0.37	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-41.6	180	-175	0	0	0	0	111.1	S464 S465 P469 Q548 W552	S464-V467 PolarHBondContact O-N 2.93Å; S465-V467 VanDerWaalsContact C-N 3.26Å; V467-P469 VanDerWaalsContact C-CD 3.43Å; V467-P469 WeakPolarHBondContact O-CD 3.41Å; V467-Q548 HydrophobicContact CG2-CB 4.17Å; V467-W552 HydrophobicContact CG2-CB 3.97Å; V467-W552 HydrophobicContact CG2-CG 4.37Å
468	H	98.7	Very high	98.6	Very high	58 Å²	58	26.4 Å²	26.4	27%	0.269	14%	0.142	S	C	.	.			trans	-122.7	63.7	-176.9	-60.1	-78.7	0	0	0	111.1	Y317 S464 N470 S471 H473 Q548	Y317-H468 PolarHBondContact OH-O 2.98Å; S464-H468 PolarHBondContact O-N 3.45Å; H468-N470 PolarHBondContact O-N 2.88Å; H468-N470 VanDerWaalsContact O-N 3.14Å; H468-S471 PolarHBondContact O-N 3.33Å; H468-H473 AromaticContact CD2-CE1 3.8Å; H468-H473 AromaticContact CE1-CE1 3.73Å; H468-H473 AromaticContact CG-CE1 3.79Å; H468-H473 AromaticContact CG-NE2 3.69Å; H468-H473 AromaticContact ND1-CE1 3.75Å; H468-H473 AromaticContact ND1-NE2 3.71Å; H468-H473 AromaticContact NE2-CE1 3.77Å; H468-Q548 PolarHBondContact CD2-OE1 3.14Å
469	P	98.5	Very high	98.7	Very high	70 Å²	70	26.4 Å²	26.4	46%	0.455	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.9	-175.8	25.5	-35.1	0	0	0	113.6	S465 V467	S465-P469 WeakPolarHBondContact O-CA 3.15Å; S465-P469 WeakPolarHBondContact O-CB 3.49Å; V467-P469 VanDerWaalsContact C-CD 3.43Å; V467-P469 WeakPolarHBondContact O-CD 3.41Å
470	N	98.3	Very high	98.6	Very high	86 Å²	86	29.7 Å²	29.7	46%	0.46	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	9.6	-177.5	-60.4	113.1	0	0	0	113.8	I310 H468	I310-N470 WeakPolarHBondContact CG1-O 3.31Å; I310-N470 PolarHBondContact N-O 3.22Å; H468-N470 PolarHBondContact O-N 2.88Å; H468-N470 VanDerWaalsContact O-N 3.14Å
471	S	98.7	Very high	98.6	Very high	16 Å²	16	33.2 Å²	33.2	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.8	178.4	-179.5	0	0	0	0	111	L308 Y317 S463 H468 H473	L308-S471 CarbonylContact O-C 3.6Å; L308-S471 WeakPolarHBondContact O-CA 3.47Å; Y317-S471 PolarHBondContact OH-O 2.84Å; S463-S471 PolarHBondContact OG-O 3.27Å; H468-S471 PolarHBondContact O-N 3.33Å; S471-H473 PolarHBondContact OG-CD2 2.9Å; S471-H473 PolarHBondContact OG-NE2 3.29Å; S471-H473 VanDerWaalsContact OG-NE2 3.08Å
472	V	98.9	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.1	174.9	172.8	0	0	0	0	109.2	L308 I310 Y317 V323 I461 M514	L308-V472 HydrophobicContact CB-CB 4.46Å; L308-V472 PolarHBondContact N-O 3.45Å; L308-V472 PolarHBondContact O-N 2.93Å; I310-V472 HydrophobicContact CD1-CG2 3.72Å; I310-V472 HydrophobicContact CG1-CG2 4.21Å; I310-V472 HydrophobicContact CG2-CG2 4.06Å; Y317-V472 HydrophobicContact CD1-CG2 3.92Å; Y317-V472 HydrophobicContact CE1-CG2 3.87Å; Y317-V472 HydrophobicContact CG-CG2 4.48Å; V323-V472 HydrophobicContact CB-CG1 3.8Å; V323-V472 HydrophobicContact CG1-CG1 3.82Å; V323-V472 HydrophobicContact CG2-CG1 4.15Å; I461-V472 HydrophobicContact CD1-CG1 3.95Å; I461-V472 HydrophobicContact CG1-CG1 3.81Å; I461-V472 HydrophobicContact CG2-CG1 4.04Å; V472-M514 HydrophobicContact CG2-CE 4.36Å
473	H	98.9	Very high	98.5	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.7	-174.7	-60.5	-167.1	0	0	0	111	H305 L306 E307 A462 S463 H468 S471	H305-H473 AromaticContact CE1-CG 3.93Å; H305-H473 AromaticContact CE1-ND1 3.59Å; H305-H473 AromaticContact NE2-ND1 3.96Å; L306-H473 CarbonylContact O-C 3.37Å; L306-H473 VanDerWaalsContact O-CA 3.26Å; L306-H473 WeakPolarHBondContact O-CA 3.47Å; E307-H473 IonicContact OE1-CE1 2.58Å; E307-H473 PolarHBondContact OE1-CE1 3.24Å; E307-H473 VanDerWaalsContact OE1-CE1 3.31Å; E307-H473 IonicContact OE1-ND1 3.44Å; E307-H473 IonicContact OE1-NE2 3.52Å; A462-H473 HydrophobicContact CB-CB 4.15Å; A462-H473 PolarHBondContact N-O 3.01Å; S463-H473 VanDerWaalsContact CB-CG 3.47Å; S463-H473 PolarHBondContact OG-N 3.33Å; H468-H473 AromaticContact CD2-CE1 3.8Å; H468-H473 AromaticContact CE1-CE1 3.73Å; H468-H473 AromaticContact CG-CE1 3.79Å; H468-H473 AromaticContact CG-NE2 3.69Å; H468-H473 AromaticContact ND1-CE1 3.75Å; H468-H473 AromaticContact ND1-NE2 3.71Å; H468-H473 AromaticContact NE2-CE1 3.77Å; S471-H473 PolarHBondContact OG-CD2 2.9Å; S471-H473 PolarHBondContact OG-NE2 3.29Å; S471-H473 VanDerWaalsContact OG-NE2 3.08Å
474	I	98.9	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	178	-65.6	174.7	0	0	0	109.4	H305 L306 L308 V323 V325 Y459 A476	H305-I474 WeakPolarHBondContact CA-O 3.36Å; L306-I474 HydrophobicContact CB-CB 4.32Å; L306-I474 HydrophobicContact CD1-CG2 4.41Å; L306-I474 PolarHBondContact N-O 3.37Å; L306-I474 PolarHBondContact O-N 2.82Å; L308-I474 HydrophobicContact CD1-CD1 3.9Å; L308-I474 HydrophobicContact CG-CD1 4.48Å; V323-I474 HydrophobicContact CG1-CD1 3.76Å; V323-I474 HydrophobicContact CG1-CG1 3.58Å; V325-I474 HydrophobicContact CG1-CD1 4.25Å; Y459-I474 HydrophobicContact CD1-CG2 3.81Å; Y459-I474 HydrophobicContact CD2-CD1 4.07Å; Y459-I474 HydrophobicContact CD2-CG2 4.23Å; Y459-I474 HydrophobicContact CE1-CG2 4.43Å; Y459-I474 HydrophobicContact CG-CD1 4.4Å; Y459-I474 HydrophobicContact CG-CG2 3.7Å; I474-A476 HydrophobicContact CG2-CB 4.07Å
475	C	98.7	Very high	98.1	Very high	7 Å²	7	48.9 Å²	48.9	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.9	168.5	178	0	0	0	0	108.8	A462 A541 Y578	A462-C475 HydrophobicContact CB-CB 4.21Å; C475-A541 HydrophobicContact CB-CB 3.77Å; C475-Y578 HydrophobicContact CB-CE2 4.17Å; C475-Y578 WeakPolarHBondContact CB-OH 3.36Å
476	A	98.5	Very high	97.9	Very high	4 Å²	4	51 Å²	51	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	154	-174.5	0	0	0	0	0	112.7	L303 M304 Y459 I474	L303-A476 CarbonylContact C-O 3.55Å; L303-A476 WeakPolarHBondContact CA-O 3.39Å; M304-A476 HydrophobicContact CE-CB 3.97Å; M304-A476 HydrophobicContact CG-CB 4.42Å; M304-A476 PolarHBondContact N-O 2.71Å; M304-A476 PolarHBondContact O-N 3.41Å; Y459-A476 HydrophobicContact CD1-CB 3.97Å; Y459-A476 HydrophobicContact CE1-CB 3.64Å; I474-A476 HydrophobicContact CG2-CB 4.07Å
477	V	98.3	Very high	97.8	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.4	166.8	60.4	0	0	0	0	109.2	L303 V479 T494 T538	L303-V477 HydrophobicContact CD1-CG2 4.5Å; L303-V477 HydrophobicContact CD2-CB 4.22Å; L303-V477 HydrophobicContact CD2-CG2 4.44Å; L303-V477 HydrophobicContact CG-CB 4.1Å; L303-V477 HydrophobicContact CG-CG2 4.04Å; V477-V479 PolarHBondContact O-N 2.8Å; V477-T494 WeakPolarHBondContact O-CG2 3.4Å; V477-T538 HydrophobicContact CB-CG2 4.1Å; V477-T538 HydrophobicContact CG1-CG2 4.2Å
478	V	98.5	Very high	97.8	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.073	27%	0.273	C	S	.	.			trans	-71.3	127.6	173.7	179.1	0	0	0	0	109	H302 M304 R498	H302-V478 HydrophobicContact CB-CB 4.07Å; H302-V478 HydrophobicContact CB-CG2 4Å; H302-V478 PolarHBondContact O-N 3.43Å; M304-V478 HydrophobicContact CE-CG2 4.13Å; M304-V478 HydrophobicContact SD-CG2 3.85Å; V478-R498 HydrophobicContact CG2-CB 4.07Å; V478-R498 HydrophobicContact CG2-CG 4.22Å
479	V	98.3	Very high	97.8	Very high	62 Å²	62	48.9 Å²	48.9	38%	0.376	26%	0.263	S	S	.	.			trans	-92.3	115.9	-179.5	178	0	0	0	0	108.1	V477 Y481 G491 T494 N495	V477-V479 PolarHBondContact O-N 2.8Å; V479-Y481 HydrophobicContact CG1-CD1 4.03Å; V479-Y481 HydrophobicContact CG1-CE1 4.21Å; V479-G491 PolarHBondContact O-N 3.31Å; V479-T494 PolarHBondContact N-OG1 2.6Å; V479-T494 VanDerWaalsContact N-OG1 3.1Å; V479-N495 PolarHBondContact O-ND2 2.8Å
480	E	97.9	Very high	97.8	Very high	98 Å²	98	50.1 Å²	50.1	46%	0.458	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	125.8	175.4	-175.9	166.7	-166.5	0	0	107.6	I488 N489 K490	E480-I488 HydrophobicContact CG-CG2 3.8Å; E480-N489 WeakPolarHBondContact CA-O 3.23Å; E480-K490 HydrophobicContact CG-CG 4.25Å
481	Y	97.7	Very high	97.8	Very high	83 Å²	83	47 Å²	47	33%	0.325	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.4	-175.9	66.4	-85.8	0	0	0	112	R427 V479 T483 N489	R427-Y481 HydrophobicContact CB-CE2 4.32Å; R427-Y481 HydrophobicContact CG-CE2 4.12Å; R427-Y481 PolarHBondContact NE-OH 3.45Å; V479-Y481 HydrophobicContact CG1-CD1 4.03Å; V479-Y481 HydrophobicContact CG1-CE1 4.21Å; Y481-T483 HydrophobicContact CD2-CG2 4.34Å; Y481-T483 HydrophobicContact CE2-CG2 3.83Å; Y481-N489 HydrophobicContact CD1-CB 4.34Å; Y481-N489 HydrophobicContact CE1-CB 3.77Å; Y481-N489 HydrophobicContact CE2-CB 4.02Å; Y481-N489 PolarHBondContact N-O 3.24Å; Y481-N489 PolarHBondContact O-N 3.02Å; Y481-N489 PolarHBondContact OH-ND2 3.14Å
482	E	97.7	Very high	97.8	Very high	150 Å²	150	47 Å²	47	70%	0.701	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.5	171.9	-171.5	172.9	-176.5	0	0	110.4	I488	E482-I488 HydrophobicContact CB-CD1 3.81Å; E482-I488 HydrophobicContact CG-CD1 4.01Å
483	T	97.6	Very high	97.7	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	25%	0.251	C	S	.	.			trans	-92.2	157.9	-180	62.7	0	0	0	0	111.1	A426 R427 Y481 A485 G486 R487 N489	A426-T483 WeakPolarHBondContact O-CB 3.45Å; R427-T483 HydrophobicContact CB-CG2 3.97Å; Y481-T483 HydrophobicContact CD2-CG2 4.34Å; Y481-T483 HydrophobicContact CE2-CG2 3.83Å; T483-A485 PolarHBondContact O-N 2.79Å; T483-A485 VanDerWaalsContact O-N 3.14Å; T483-A485 PolarHBondContact OG1-N 2.89Å; T483-G486 PolarHBondContact O-N 2.83Å; T483-R487 WeakPolarHBondContact CB-O 3.48Å; T483-R487 WeakPolarHBondContact CG2-O 3.33Å; T483-R487 PolarHBondContact N-O 3.14Å; T483-R487 WeakPolarHBondContact OG1-CA 3.43Å; T483-R487 PolarHBondContact OG1-N 3.27Å; T483-R487 PolarHBondContact OG1-O 2.97Å; T483-N489 HydrophobicContact CG2-CB 3.91Å; T483-N489 WeakPolarHBondContact CG2-ND2 3.49Å
484	K	96	Very high	97.7	Very high	151 Å²	151	47.6 Å²	47.6	66%	0.657	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.4	170.6	-55.3	-171.1	178.7	-168	0	113.1	E425 A426 G486	E425-K484 HydrophobicContact CG-CD 4.08Å; E425-K484 IonicContact OE1-NZ 3.12Å; E425-K484 PolarHBondContact OE1-NZ 2.93Å; A426-K484 HydrophobicContact CB-CB 4.27Å; K484-G486 PolarHBondContact O-N 3.04Å
485	A	93.9	Very high	97.7	Very high	19 Å²	19	49.1 Å²	49.1	16%	0.157	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.9	172	0	0	0	0	0	113.7	A426 R428 T483 R487	A426-A485 HydrophobicContact CB-CB 4.2Å; R428-A485 HydrophobicContact CG-CB 4.01Å; T483-A485 PolarHBondContact O-N 2.79Å; T483-A485 VanDerWaalsContact O-N 3.14Å; T483-A485 PolarHBondContact OG1-N 2.89Å; A485-R487 VanDerWaalsContact C-N 3.33Å; A485-R487 PolarHBondContact O-N 3.29Å
486	G	95	Very high	97.7	Very high	60 Å²	60	50.6 Å²	50.6	62%	0.619	27%	0.266	S	S	*	.	S	Bend	trans	72.9	21.6	178.7	0	0	0	0	0	114.4	T483 K484	T483-G486 PolarHBondContact O-N 2.83Å; K484-G486 PolarHBondContact O-N 3.04Å
487	R	96.8	Very high	97.7	Very high	44 Å²	44	50.4 Å²	50.4	17%	0.166	27%	0.265	C	S	.	.			trans	-114.6	155.3	179.6	-65.8	169.2	169.6	98.8	-6.1	111	A432 D436 T483 A485	A432-R487 PolarHBondContact O-NH2 3.33Å; D436-R487 IonicContact OD1-CZ 2.76Å; D436-R487 IonicContact OD1-NH1 3.4Å; D436-R487 PolarHBondContact OD1-NH1 3.01Å; D436-R487 IonicContact OD1-NH2 3.29Å; D436-R487 PolarHBondContact OD1-NH2 2.94Å; D436-R487 IonicContact OD2-CZ 3.9Å; D436-R487 IonicContact OD2-NH1 3.58Å; D436-R487 PolarHBondContact OD2-NH1 3.47Å; D436-R487 IonicContact OD2-NH2 2.78Å; T483-R487 WeakPolarHBondContact CB-O 3.48Å; T483-R487 WeakPolarHBondContact CG2-O 3.33Å; T483-R487 PolarHBondContact N-O 3.14Å; T483-R487 WeakPolarHBondContact OG1-CA 3.43Å; T483-R487 PolarHBondContact OG1-N 3.27Å; T483-R487 PolarHBondContact OG1-O 2.97Å; A485-R487 VanDerWaalsContact C-N 3.33Å; A485-R487 PolarHBondContact O-N 3.29Å
488	I	97.9	Very high	97.7	Very high	95 Å²	95	53.2 Å²	53.2	49%	0.487	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.6	171.5	-55.9	-56.4	0	0	0	109.4	E480 E482	E480-I488 HydrophobicContact CG-CG2 3.8Å; E482-I488 HydrophobicContact CB-CD1 3.81Å; E482-I488 HydrophobicContact CG-CD1 4.01Å
489	N	98.3	Very high	97.6	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.059	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136	173.3	-79.1	7.9	0	0	0	109.9	R427 H429 E480 Y481 T483	R427-N489 PolarHBondContact O-ND2 3.19Å; H429-N489 PolarHBondContact CD2-OD1 2.7Å; E480-N489 WeakPolarHBondContact CA-O 3.23Å; Y481-N489 HydrophobicContact CD1-CB 4.34Å; Y481-N489 HydrophobicContact CE1-CB 3.77Å; Y481-N489 HydrophobicContact CE2-CB 4.02Å; Y481-N489 PolarHBondContact N-O 3.24Å; Y481-N489 PolarHBondContact O-N 3.02Å; Y481-N489 PolarHBondContact OH-ND2 3.14Å; T483-N489 HydrophobicContact CG2-CB 3.91Å; T483-N489 WeakPolarHBondContact CG2-ND2 3.49Å
490	K	98.4	Very high	97.5	Very high	97 Å²	97	55 Å²	55	42%	0.422	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	177.6	-68.8	-178.5	-175.3	176.5	0	109.3	E480 V492	E480-K490 HydrophobicContact CG-CG 4.25Å; K490-V492 PolarHBondContact O-N 3.44Å
491	G	98.2	Very high	97.2	Very high	20 Å²	20	58 Å²	58	21%	0.206	30%	0.3	C	S	.	.			trans	-66	127.2	174	0	0	0	0	0	110.6	V479 N495	V479-G491 PolarHBondContact O-N 3.31Å; G491-N495 PolarHBondContact N-ND2 3.12Å; G491-N495 WeakPolarHBondContact O-CB 3.39Å; G491-N495 PolarHBondContact O-N 2.91Å; G491-N495 VanDerWaalsContact O-N 3.09Å; G491-N495 PolarHBondContact O-ND2 3.43Å
492	V	98.6	Very high	96.7	Very high	16 Å²	16	56.6 Å²	56.6	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-55.5	-62.2	-171.9	-177.5	0	0	0	0	111.7	P327 N329 T381 L454 K490 T494 W496	P327-V492 HydrophobicContact CB-CG1 4.02Å; P327-V492 HydrophobicContact CG-CG1 3.86Å; N329-V492 WeakPolarHBondContact OD1-CG1 3.43Å; N329-V492 WeakPolarHBondContact OD1-CG2 3.48Å; T381-V492 HydrophobicContact CG2-CG2 3.56Å; T381-V492 WeakPolarHBondContact OG1-CG2 3.19Å; L454-V492 HydrophobicContact CD1-CG1 4.28Å; K490-V492 PolarHBondContact O-N 3.44Å; V492-T494 PolarHBondContact O-N 3.17Å; V492-W496 VanDerWaalsContact O-CB 3.25Å; V492-W496 WeakPolarHBondContact O-CB 3.4Å; V492-W496 PolarHBondContact O-N 2.97Å
493	A	98.6	Very high	95.3	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-42.5	-173.6	0	0	0	0	0	113.1	V325 P327 R457 Y459 W496 L497	V325-A493 HydrophobicContact CG2-CB 4.49Å; P327-A493 HydrophobicContact CB-CB 3.91Å; P327-A493 HydrophobicContact CG-CB 4.09Å; R457-A493 HydrophobicContact CB-CB 3.65Å; R457-A493 HydrophobicContact CG-CB 3.71Å; Y459-A493 WeakPolarHBondContact OH-CB 3.39Å; A493-W496 PolarHBondContact O-N 2.81Å; A493-L497 WeakPolarHBondContact O-CB 3.3Å; A493-L497 VanDerWaalsContact O-CG 3.28Å; A493-L497 WeakPolarHBondContact O-CG 3.42Å; A493-L497 PolarHBondContact O-N 3.3Å
494	T	98.7	Very high	93.5	Very high	12 Å²	12	53.9 Å²	53.9	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-34.5	-174.4	54.8	0	0	0	0	112.7	M304 Y459 V477 V479 V492 R498	M304-T494 WeakPolarHBondContact CE-O 3.38Å; Y459-T494 HydrophobicContact CE1-CG2 4.32Å; Y459-T494 VanDerWaalsContact OH-CG2 3.29Å; Y459-T494 WeakPolarHBondContact OH-CG2 3.28Å; V477-T494 WeakPolarHBondContact O-CG2 3.4Å; V479-T494 PolarHBondContact N-OG1 2.6Å; V479-T494 VanDerWaalsContact N-OG1 3.1Å; V492-T494 PolarHBondContact O-N 3.17Å; T494-R498 VanDerWaalsContact O-CB 3.27Å; T494-R498 WeakPolarHBondContact O-CB 3.42Å; T494-R498 PolarHBondContact O-N 3.35Å
495	N	98.7	Very high	91.5	Very high	32 Å²	32	56.5 Å²	56.5	17%	0.171	32%	0.324	C	S	.	.	H	α-helix	trans	-72.1	-38.2	172.6	-77.2	-90.4	0	0	0	111.7	V479 G491 R498 A499	V479-N495 PolarHBondContact O-ND2 2.8Å; G491-N495 PolarHBondContact N-ND2 3.12Å; G491-N495 WeakPolarHBondContact O-CB 3.39Å; G491-N495 PolarHBondContact O-N 2.91Å; G491-N495 VanDerWaalsContact O-N 3.09Å; G491-N495 PolarHBondContact O-ND2 3.43Å; N495-R498 PolarHBondContact O-N 3.49Å; N495-A499 PolarHBondContact O-N 2.92Å; N495-A499 VanDerWaalsContact O-N 3.12Å
496	W	98.6	Very high	89.2	Confident	38 Å²	38	63.4 Å²	63.4	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-45	174.2	176.2	82	0	0	0	112.2	V325 Y326 P327 A328 V492 A493 A499 K500 V512	V325-W496 HydrophobicContact CG2-CZ3 4.5Å; Y326-W496 WeakPolarHBondContact O-CH2 3.23Å; P327-W496 HydrophobicContact CB-CB 4.38Å; P327-W496 HydrophobicContact CB-CD2 4.18Å; P327-W496 HydrophobicContact CB-CE3 4.01Å; P327-W496 HydrophobicContact CB-CG 4.36Å; A328-W496 HydrophobicContact CB-CG 4.46Å; V492-W496 VanDerWaalsContact O-CB 3.25Å; V492-W496 WeakPolarHBondContact O-CB 3.4Å; V492-W496 PolarHBondContact O-N 2.97Å; A493-W496 PolarHBondContact O-N 2.81Å; W496-A499 PolarHBondContact O-N 2.84Å; W496-K500 VanDerWaalsContact CZ2-NZ 3.34Å; W496-V512 HydrophobicContact CH2-CB 3.98Å; W496-V512 HydrophobicContact CH2-CG1 3.8Å; W496-V512 HydrophobicContact CH2-CG2 3.78Å; W496-V512 HydrophobicContact CZ3-CB 4.37Å; W496-V512 HydrophobicContact CZ3-CG1 3.85Å; W496-V512 HydrophobicContact CZ3-CG2 3.98Å
497	L	98.5	Very high	86.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-42.4	174.9	-75.9	177.7	0	0	0	112	N292 M304 L306 V325 Y459 A493 A499 K500 V512	N292-L497 PolarHBondContact ND2-O 3.48Å; M304-L497 HydrophobicContact CE-CB 3.72Å; M304-L497 HydrophobicContact CE-CD1 4.39Å; L306-L497 HydrophobicContact CD2-CB 3.89Å; L306-L497 HydrophobicContact CD2-CD2 4.02Å; L306-L497 HydrophobicContact CD2-CG 4.38Å; V325-L497 HydrophobicContact CG2-CD1 4.42Å; Y459-L497 HydrophobicContact CE2-CD1 3.71Å; A493-L497 WeakPolarHBondContact O-CB 3.3Å; A493-L497 VanDerWaalsContact O-CG 3.28Å; A493-L497 WeakPolarHBondContact O-CG 3.42Å; A493-L497 PolarHBondContact O-N 3.3Å; L497-A499 PolarHBondContact O-N 3.22Å; L497-K500 WeakPolarHBondContact O-CB 3.32Å; L497-K500 PolarHBondContact O-N 2.99Å; L497-V512 HydrophobicContact CD2-CG1 4.22Å; L497-V512 HydrophobicContact CD2-CG2 3.96Å
498	R	98.1	Very high	85	Confident	104 Å²	104	63.9 Å²	63.9	39%	0.392	38%	0.377	S	S	.	.	H	α-helix	trans	-56.9	-36.7	176.3	-176.2	-168.6	-179	175.9	-5	112	N292 M304 V478 T494 N495 K500	N292-R498 PolarHBondContact ND2-O 3.13Å; M304-R498 HydrophobicContact SD-CB 3.94Å; V478-R498 HydrophobicContact CG2-CB 4.07Å; V478-R498 HydrophobicContact CG2-CG 4.22Å; T494-R498 VanDerWaalsContact O-CB 3.27Å; T494-R498 WeakPolarHBondContact O-CB 3.42Å; T494-R498 PolarHBondContact O-N 3.35Å; N495-R498 PolarHBondContact O-N 3.49Å; R498-K500 VanDerWaalsContact C-N 3.25Å; R498-K500 PolarHBondContact O-N 2.8Å
499	A	96.8	Very high	83.9	Confident	74 Å²	74	68.3 Å²	68.3	61%	0.612	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.6	179.4	0	0	0	0	0	113.9	N495 W496 L497 E501	N495-A499 PolarHBondContact O-N 2.92Å; N495-A499 VanDerWaalsContact O-N 3.12Å; W496-A499 PolarHBondContact O-N 2.84Å; L497-A499 PolarHBondContact O-N 3.22Å; A499-E501 PolarHBondContact O-N 3.37Å; A499-E501 VanDerWaalsContact O-N 3.17Å
500	K	95.7	Very high	83.6	Confident	39 Å²	39	68.7 Å²	68.7	17%	0.17	39%	0.393	C	S	.	.			trans	-78.1	100.5	175.9	-63.4	-67.7	175.8	167.6	0	110.1	V289 N292 W496 L497 R498 A510 L511 V512	V289-K500 HydrophobicContact CB-CB 4.39Å; V289-K500 HydrophobicContact CG1-CB 4.34Å; V289-K500 HydrophobicContact CG2-CB 3.88Å; V289-K500 HydrophobicContact CG2-CG 4.24Å; N292-K500 PolarHBondContact ND2-O 2.98Å; W496-K500 VanDerWaalsContact CZ2-NZ 3.34Å; L497-K500 WeakPolarHBondContact O-CB 3.32Å; L497-K500 PolarHBondContact O-N 2.99Å; R498-K500 VanDerWaalsContact C-N 3.25Å; R498-K500 PolarHBondContact O-N 2.8Å; K500-A510 HydrophobicContact CB-CB 4.41Å; K500-A510 HydrophobicContact CD-CB 4.26Å; K500-L511 PolarHBondContact NZ-O 3.02Å; K500-V512 HydrophobicContact CD-CG2 4.37Å; K500-V512 HydrophobicContact CG-CG2 4.14Å
501	E	91.2	Very high	83.5	Confident	160 Å²	160	66.3 Å²	66.3	75%	0.748	38%	0.384	S	S	*	.			trans	-75.3	129.2	172.8	-64.4	-178	179.8	0	0	109.8	A499 A503 A510	A499-E501 PolarHBondContact O-N 3.37Å; A499-E501 VanDerWaalsContact O-N 3.17Å; E501-A503 PolarHBondContact O-N 2.94Å; E501-A510 WeakPolarHBondContact O-CB 3.27Å
502	P	87.9	Confident	83.5	Confident	53 Å²	53	65.3 Å²	65.3	34%	0.344	37%	0.374	S	S	.	.			trans	-56.9	140.6	175.8	-26.1	36.2	0	0	0	111.3	V289 T290 N292 G504	V289-P502 WeakPolarHBondContact O-CA 3.38Å; T290-P502 WeakPolarHBondContact O-CB 3.41Å; N292-P502 HydrophobicContact CB-CG 3.85Å; P502-G504 PolarHBondContact O-N 2.75Å
503	A	68.4	Low	83.5	Confident	49 Å²	49	65.1 Å²	65.1	41%	0.405	37%	0.374	S	S	.	.			trans	-60.9	111.8	174.9	0	0	0	0	0	109.5	V289 E501 G508	V289-A503 PolarHBondContact O-N 2.99Å; E501-A503 PolarHBondContact O-N 2.94Å; A503-G508 WeakPolarHBondContact CA-O 3.23Å; A503-G508 WeakPolarHBondContact CB-O 3.46Å
504	G	60.1	Low	83.5	Confident	53 Å²	53	65 Å²	65	55%	0.546	37%	0.372	S	S	.	.			trans	-65.7	170.9	163	0	0	0	0	0	110.7	P502 N506 G507	P502-G504 PolarHBondContact O-N 2.75Å; G504-N506 PolarHBondContact O-N 3.38Å; G504-G507 PolarHBondContact O-N 3.04Å
505	E	54	Low	83.5	Confident	206 Å²	206	65 Å²	65	96%	0.963	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-13	177.6	-67.6	-177.1	166.2	0	0	114
506	N	44.9	Very low	83.5	Confident	164 Å²	164	64.8 Å²	64.8	88%	0.877	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	22.1	-175.3	-63.8	-25.7	0	0	0	116	G504	G504-N506 PolarHBondContact O-N 3.38Å
507	G	47.6	Very low	83.3	Confident	62 Å²	62	64.6 Å²	64.6	64%	0.639	37%	0.37	S	S	*	.			trans	88.7	12.3	150.3	0	0	0	0	0	119.4	G504 R509	G504-G507 PolarHBondContact O-N 3.04Å; G507-R509 PolarHBondContact O-N 3.5Å
508	G	56.3	Low	83.1	Confident	52 Å²	52	72.5 Å²	72.5	54%	0.536	41%	0.405	S	S	.	.			trans	-81.8	107.8	166.6	0	0	0	0	0	111	A503 A510	A503-G508 WeakPolarHBondContact CA-O 3.23Å; A503-G508 WeakPolarHBondContact CB-O 3.46Å; G508-A510 PolarHBondContact O-N 3.39Å
509	R	74	Confident	82.8	Confident	188 Å²	188	68.3 Å²	68.3	71%	0.709	39%	0.391	S	S	*	.			trans	-83.9	96.7	178.9	-61.5	-179.4	82.9	178.9	4.6	110.1	G507 L511	G507-R509 PolarHBondContact O-N 3.5Å; R509-L511 HydrophobicContact CB-CD2 3.98Å; R509-L511 HydrophobicContact CB-CG 4.05Å; R509-L511 PolarHBondContact O-N 2.91Å; R509-L511 VanDerWaalsContact O-N 3.09Å
510	A	91.9	Very high	82.6	Confident	19 Å²	19	73 Å²	73	16%	0.157	40%	0.4	C	S	.	.			trans	-69.9	101.6	165.6	0	0	0	0	0	109	V289 K500 E501 G508	V289-A510 HydrophobicContact CB-CB 4.26Å; V289-A510 HydrophobicContact CG2-CB 4.46Å; V289-A510 PolarHBondContact N-O 2.79Å; K500-A510 HydrophobicContact CB-CB 4.41Å; K500-A510 HydrophobicContact CD-CB 4.26Å; E501-A510 WeakPolarHBondContact O-CB 3.27Å; G508-A510 PolarHBondContact O-N 3.39Å
511	L	96.4	Very high	82.6	Confident	47 Å²	47	71.3 Å²	71.3	25%	0.246	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.5	-177.9	-59.2	176.2	0	0	0	111.7	L286 A287 A288 K500 R509	L286-L511 HydrophobicContact CB-CB 4.21Å; L286-L511 HydrophobicContact CB-CD1 4.19Å; L286-L511 HydrophobicContact CD2-CB 4.27Å; L286-L511 HydrophobicContact CD2-CD1 3.89Å; L286-L511 HydrophobicContact CG-CB 4.39Å; A287-L511 CarbonylContact O-C 3.56Å; A287-L511 WeakPolarHBondContact O-CA 3.44Å; A288-L511 HydrophobicContact CB-CD2 4.09Å; K500-L511 PolarHBondContact NZ-O 3.02Å; R509-L511 HydrophobicContact CB-CD2 3.98Å; R509-L511 HydrophobicContact CB-CG 4.05Å; R509-L511 PolarHBondContact O-N 2.91Å; R509-L511 VanDerWaalsContact O-N 3.09Å
512	V	98.3	Very high	82.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.5	175.9	170.5	0	0	0	0	108.6	A287 V289 L308 V325 W496 L497 K500 M514	A287-V512 PolarHBondContact N-O 3.26Å; A287-V512 PolarHBondContact O-N 3.48Å; V289-V512 HydrophobicContact CG2-CB 4.49Å; V289-V512 HydrophobicContact CG2-CG2 3.49Å; V289-V512 VanDerWaalsContact CG2-CG2 3.49Å; L308-V512 HydrophobicContact CD1-CB 4.48Å; L308-V512 HydrophobicContact CD1-CG1 4.03Å; L308-V512 HydrophobicContact CD2-CB 4.16Å; L308-V512 HydrophobicContact CD2-CG1 4.44Å; L308-V512 HydrophobicContact CD2-CG2 4.14Å; V325-V512 HydrophobicContact CB-CG1 4.04Å; V325-V512 HydrophobicContact CG1-CG1 3.79Å; W496-V512 HydrophobicContact CH2-CB 3.98Å; W496-V512 HydrophobicContact CH2-CG1 3.8Å; W496-V512 HydrophobicContact CH2-CG2 3.78Å; W496-V512 HydrophobicContact CZ3-CB 4.37Å; W496-V512 HydrophobicContact CZ3-CG1 3.85Å; W496-V512 HydrophobicContact CZ3-CG2 3.98Å; L497-V512 HydrophobicContact CD2-CG1 4.22Å; L497-V512 HydrophobicContact CD2-CG2 3.96Å; K500-V512 HydrophobicContact CD-CG2 4.37Å; K500-V512 HydrophobicContact CG-CG2 4.14Å; V512-M514 HydrophobicContact CG1-CB 4.37Å; V512-M514 PolarHBondContact O-N 3.49Å
513	P	98.6	Very high	83.4	Confident	12 Å²	12	65.4 Å²	65.4	8%	0.078	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	116.6	172.5	-13.4	28.4	0	0	0	109.4	Y272 P284 F285 L286 V325 Y326	Y272-P513 HydrophobicContact CD2-CG 4.37Å; Y272-P513 HydrophobicContact CE1-CB 4.39Å; Y272-P513 HydrophobicContact CE2-CB 3.99Å; Y272-P513 HydrophobicContact CE2-CG 3.57Å; Y272-P513 WeakPolarHBondContact OH-CB 3.47Å; P284-P513 HydrophobicContact CB-CB 4.15Å; P284-P513 HydrophobicContact CG-CB 4.04Å; F285-P513 CarbonylContact O-C 3.56Å; F285-P513 WeakPolarHBondContact O-CA 3.49Å; L286-P513 HydrophobicContact CD1-CB 3.96Å; L286-P513 HydrophobicContact CD1-CG 4.14Å; L286-P513 HydrophobicContact CG-CB 4.39Å; L286-P513 HydrophobicContact CG-CG 4.17Å; V325-P513 WeakPolarHBondContact CA-O 3.14Å; Y326-P513 PolarHBondContact N-O 2.75Å
514	M	98.7	Very high	84.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.7	-174.9	63.3	76.4	60.8	0	0	112.9	P284 F285 A287 L308 I310 I315 V323 A324 V325 V472 V512 V516	P284-M514 CarbonylContact C-O 3.5Å; F285-M514 HydrophobicContact CB-SD 4.38Å; F285-M514 HydrophobicContact CD1-SD 4.33Å; F285-M514 PolarHBondContact N-O 3.31Å; F285-M514 PolarHBondContact O-N 3.41Å; A287-M514 HydrophobicContact CB-CG 3.72Å; A287-M514 HydrophobicContact CB-SD 4.3Å; L308-M514 HydrophobicContact CD1-CB 4.45Å; L308-M514 HydrophobicContact CD1-CG 4.13Å; I310-M514 HydrophobicContact CG2-CE 4.28Å; I310-M514 HydrophobicContact CG2-SD 3.92Å; I315-M514 HydrophobicContact CD1-SD 3.97Å; V323-M514 HydrophobicContact CB-CE 4.23Å; V323-M514 HydrophobicContact CG2-CB 3.98Å; V323-M514 HydrophobicContact CG2-CE 3.34Å; A324-M514 CarbonylContact O-C 3.57Å; A324-M514 WeakPolarHBondContact O-CA 3.46Å; A324-M514 VanDerWaalsContact O-CB 3.32Å; A324-M514 WeakPolarHBondContact O-CB 3.37Å; V325-M514 HydrophobicContact CG1-CB 4.2Å; V472-M514 HydrophobicContact CG2-CE 4.36Å; V512-M514 HydrophobicContact CG1-CB 4.37Å; V512-M514 PolarHBondContact O-N 3.49Å; M514-V516 HydrophobicContact CE-CG2 3.97Å
515	F	98.6	Very high	86.6	Confident	12 Å²	12	71.9 Å²	71.9	5%	0.053	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.1	167.3	64.3	-86.2	0	0	0	109.6	A281 A324 Y326 A456	A281-F515 HydrophobicContact CB-CD1 4.41Å; A281-F515 HydrophobicContact CB-CD2 4.49Å; A281-F515 HydrophobicContact CB-CE1 3.91Å; A281-F515 HydrophobicContact CB-CE2 3.99Å; A281-F515 HydrophobicContact CB-CZ 3.67Å; A324-F515 HydrophobicContact CB-CD1 3.88Å; A324-F515 HydrophobicContact CB-CD2 4.12Å; A324-F515 HydrophobicContact CB-CE1 3.39Å; A324-F515 HydrophobicContact CB-CE2 3.66Å; A324-F515 HydrophobicContact CB-CG 4.22Å; A324-F515 HydrophobicContact CB-CZ 3.27Å; A324-F515 PolarHBondContact N-O 2.95Å; A324-F515 PolarHBondContact O-N 3.23Å; Y326-F515 HydrophobicContact CD2-CE1 4.48Å; Y326-F515 AromaticContact CE2-CD1 4Å; Y326-F515 HydrophobicContact CE2-CD1 4Å; Y326-F515 AromaticContact CE2-CE1 3.68Å; Y326-F515 HydrophobicContact CE2-CE1 3.68Å; A456-F515 HydrophobicContact CB-CE1 4.27Å
516	V	98.3	Very high	88.7	Confident	29 Å²	29	69.3 Å²	69.3	18%	0.176	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.9	177.6	173.3	0	0	0	0	109.2	I315 D321 H322 I461 M514	I315-V516 HydrophobicContact CG2-CB 4.08Å; I315-V516 HydrophobicContact CG2-CG2 3.49Å; I315-V516 VanDerWaalsContact CG2-CG2 3.49Å; D321-V516 HydrophobicContact CB-CG1 4.11Å; H322-V516 WeakPolarHBondContact O-CA 3.47Å; I461-V516 HydrophobicContact CD1-CG1 4.32Å; I461-V516 HydrophobicContact CD1-CG2 4.27Å; M514-V516 HydrophobicContact CE-CG2 3.97Å
517	R	95	Very high	91.2	Very high	34 Å²	34	62.2 Å²	62.2	13%	0.128	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.2	167.7	-174.8	-175.3	-178.4	173.7	4.2	108.9	Y143 D150 H322 Y458	Y143-R517 VanDerWaalsContact CD1-NH2 3.33Å; D150-R517 VanDerWaalsContact CG-NH2 3.29Å; D150-R517 IonicContact OD1-CZ 3.66Å; D150-R517 IonicContact OD1-NE 3.22Å; D150-R517 IonicContact OD1-NH2 3.25Å; D150-R517 PolarHBondContact OD1-NH2 3.1Å; D150-R517 IonicContact OD2-CZ 3.42Å; D150-R517 VanDerWaalsContact OD2-CZ 3.31Å; D150-R517 IonicContact OD2-NE 2.68Å; D150-R517 PolarHBondContact OD2-NE 3.3Å; D150-R517 IonicContact OD2-NH2 3.72Å; D150-R517 PolarHBondContact OD2-NH2 3.13Å; H322-R517 PolarHBondContact N-O 2.82Å; H322-R517 VanDerWaalsContact N-O 3.07Å; H322-R517 PolarHBondContact O-N 3.17Å; Y458-R517 HydrophobicContact CE1-CB 4.08Å
518	K	93.4	Very high	93.7	Very high	166 Å²	166	62.6 Å²	62.6	72%	0.722	31%	0.305	S	S	*	.			trans	-71.5	140.5	175.9	-68.4	-178.4	-176.3	173.3	0	110.8	D321	D321-K518 WeakPolarHBondContact OD1-CA 3.4Å
519	S	92.8	Very high	95.7	Very high	16 Å²	16	61.3 Å²	61.3	11%	0.112	29%	0.287	C	S	.	.			trans	-119.3	170.7	171.7	83.4	0	0	0	0	111.5	G320 D321 F521 R522	G320-S519 VanDerWaalsContact C-OG 3.3Å; G320-S519 WeakPolarHBondContact O-CB 3.22Å; G320-S519 PolarHBondContact O-OG 3.14Å; D321-S519 PolarHBondContact OD1-N 3.42Å; S519-F521 VanDerWaalsContact C-N 3.34Å; S519-F521 WeakPolarHBondContact OG-CB 3.36Å; S519-F521 PolarHBondContact OG-N 2.92Å; S519-F521 VanDerWaalsContact OG-N 3.1Å; S519-R522 PolarHBondContact O-NH1 3.01Å; S519-R522 PolarHBondContact O-NH2 3.41Å; S519-R522 VanDerWaalsContact O-NH2 3.12Å; S519-R522 PolarHBondContact OG-NH1 2.92Å
520	Q	91.7	Very high	96.9	Very high	171 Å²	171	53.4 Å²	53.4	80%	0.799	26%	0.259	S	S	*	.	S	Bend	trans	-92.1	2.3	169.4	-54.3	-60.6	3.1	0	0	112.9	R522	Q520-R522 PolarHBondContact O-N 3.35Å; Q520-R522 VanDerWaalsContact O-N 3.12Å
521	F	96.6	Very high	97.2	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.022	25%	0.252	C	S	.	.			trans	-78.8	99	179.6	-159.2	-98.9	0	0	0	108.9	G320 S519 P542 F543 F546 Y630 C632 S675 D677	G320-F521 WeakPolarHBondContact CA-O 3.46Å; S519-F521 VanDerWaalsContact C-N 3.34Å; S519-F521 WeakPolarHBondContact OG-CB 3.36Å; S519-F521 PolarHBondContact OG-N 2.92Å; S519-F521 VanDerWaalsContact OG-N 3.1Å; F521-P542 HydrophobicContact CD1-CB 4.38Å; F521-P542 HydrophobicContact CE1-CB 4.07Å; F521-P542 HydrophobicContact CE1-CG 4Å; F521-F543 AromaticContact CE1-CE1 3.79Å; F521-F543 HydrophobicContact CE1-CE1 3.79Å; F521-F543 HydrophobicContact CE1-CZ 4.38Å; F521-F543 AromaticContact CZ-CE1 3.75Å; F521-F543 HydrophobicContact CZ-CE1 3.75Å; F521-F543 AromaticContact CZ-CZ 3.96Å; F521-F543 HydrophobicContact CZ-CZ 3.96Å; F521-F546 HydrophobicContact CD1-CE1 4.41Å; F521-F546 HydrophobicContact CD1-CE2 4.3Å; F521-F546 AromaticContact CD1-CZ 3.7Å; F521-F546 HydrophobicContact CD1-CZ 3.7Å; F521-F546 HydrophobicContact CE1-CE2 4.01Å; F521-F546 AromaticContact CE1-CZ 3.87Å; F521-F546 HydrophobicContact CE1-CZ 3.87Å; F521-Y630 HydrophobicContact CD1-CD1 4.42Å; F521-Y630 HydrophobicContact CD2-CD1 4.24Å; F521-Y630 HydrophobicContact CE1-CD1 4.01Å; F521-Y630 AromaticContact CE2-CD1 3.82Å; F521-Y630 HydrophobicContact CE2-CD1 3.82Å; F521-Y630 HydrophobicContact CE2-CG 4.48Å; F521-Y630 AromaticContact CZ-CD1 3.73Å; F521-Y630 HydrophobicContact CZ-CD1 3.73Å; F521-Y630 HydrophobicContact CZ-CG 4.12Å; F521-C632 HydrophobicContact CZ-CB 4.4Å; F521-S675 WeakPolarHBondContact CE2-O 3.38Å; F521-D677 HydrophobicContact CD1-CB 4.32Å; F521-D677 HydrophobicContact CD2-CB 3.71Å; F521-D677 HydrophobicContact CE1-CB 4.29Å; F521-D677 HydrophobicContact CE2-CB 3.67Å; F521-D677 HydrophobicContact CG-CB 4.01Å; F521-D677 HydrophobicContact CZ-CB 3.94Å
522	R	98.3	Very high	97.3	Very high	66 Å²	66	50.2 Å²	50.2	25%	0.249	24%	0.24	C	C	.	.			trans	-138.2	145.5	-170.5	-69	-63.6	-174.7	-86.3	-5.1	112.7	D321 S519 Q520 Y630	D321-R522 VanDerWaalsContact CG-NH2 3.27Å; D321-R522 IonicContact OD1-CZ 3.68Å; D321-R522 IonicContact OD1-NH1 3.72Å; D321-R522 PolarHBondContact OD1-NH1 3.3Å; D321-R522 IonicContact OD1-NH2 2.94Å; D321-R522 PolarHBondContact OD1-NH2 3.08Å; D321-R522 IonicContact OD2-CZ 3.65Å; D321-R522 IonicContact OD2-NH2 3.5Å; D321-R522 PolarHBondContact OD2-NH2 3.27Å; S519-R522 PolarHBondContact O-NH1 3.01Å; S519-R522 PolarHBondContact O-NH2 3.41Å; S519-R522 VanDerWaalsContact O-NH2 3.12Å; S519-R522 PolarHBondContact OG-NH1 2.92Å; Q520-R522 PolarHBondContact O-N 3.35Å; Q520-R522 VanDerWaalsContact O-N 3.12Å; R522-Y630 WeakPolarHBondContact O-CE1 3.45Å; R522-Y630 VanDerWaalsContact O-CZ 3.23Å; R522-Y630 PolarHBondContact O-OH 3.47Å
523	L	98.6	Very high	97.4	Very high	23 Å²	23	50.2 Å²	50.2	12%	0.12	24%	0.24	C	C	.	.			trans	-57.5	153.6	164.7	-79.8	174.4	0	0	0	111.3	V531 F546 E549 R550	L523-V531 HydrophobicContact CD2-CG1 3.96Å; L523-F546 HydrophobicContact CD1-CB 4.24Å; L523-F546 HydrophobicContact CD1-CD1 4.18Å; L523-F546 HydrophobicContact CD1-CG 4.17Å; L523-F546 HydrophobicContact CD2-CB 4.02Å; L523-F546 HydrophobicContact CD2-CD1 4.28Å; L523-F546 HydrophobicContact CD2-CD2 3.5Å; L523-F546 VanDerWaalsContact CD2-CD2 3.5Å; L523-F546 HydrophobicContact CD2-CE2 3.95Å; L523-F546 HydrophobicContact CD2-CG 3.69Å; L523-F546 HydrophobicContact CG-CB 4.2Å; L523-F546 HydrophobicContact CG-CD1 3.74Å; L523-F546 HydrophobicContact CG-CD2 3.85Å; L523-F546 HydrophobicContact CG-CE1 4Å; L523-F546 HydrophobicContact CG-CE2 4.1Å; L523-F546 HydrophobicContact CG-CG 3.67Å; L523-F546 HydrophobicContact CG-CZ 4.18Å; L523-E549 HydrophobicContact CD1-CB 3.92Å; L523-E549 HydrophobicContact CD1-CG 4.15Å; L523-R550 HydrophobicContact CD1-CG 4.21Å; L523-R550 HydrophobicContact CD2-CG 4.34Å
524	P	98.3	Very high	97.4	Very high	16 Å²	16	49.7 Å²	49.7	10%	0.104	24%	0.236	C	C	.	.			trans	-63.2	139.3	174.7	-15.8	29.7	0	0	0	110.5	K526 T529 V531 H628 Y630	P524-K526 PolarHBondContact O-N 3.02Å; P524-T529 HydrophobicContact CB-CG2 3.84Å; P524-T529 HydrophobicContact CG-CG2 3.77Å; P524-V531 HydrophobicContact CG-CG1 3.67Å; P524-H628 HydrophobicContact CG-CB 3.97Å; P524-Y630 VanDerWaalsContact CD-OH 3.3Å; P524-Y630 WeakPolarHBondContact CD-OH 3.47Å
525	F	96.8	Very high	97.4	Very high	221 Å²	221	49.7 Å²	49.7	97%	0.969	24%	0.236	S	C	*	.	S	Bend	trans	-56.8	-33.8	176.1	-68.8	-70.9	0	0	0	113.1
526	K	98.1	Very high	97.3	Very high	152 Å²	152	50.6 Å²	50.6	66%	0.661	24%	0.244	S	C	*	.	S	Bend	trans	-86.8	114.8	176	-66.5	-177.6	-176.9	179.4	0	109.6	P524 T528 T529	P524-K526 PolarHBondContact O-N 3.02Å; K526-T528 PolarHBondContact O-N 3.22Å; K526-T529 WeakPolarHBondContact O-CB 3.43Å; K526-T529 PolarHBondContact O-N 3.3Å; K526-T529 PolarHBondContact O-OG1 3.22Å
527	A	98.1	Very high	97.3	Very high	16 Å²	16	50.3 Å²	50.3	13%	0.132	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.5	179	0	0	0	0	0	113.2	T529 R550 L553 E559 V560 G561	A527-T529 VanDerWaalsContact C-N 3.25Å; A527-T529 PolarHBondContact O-N 3.46Å; A527-R550 PolarHBondContact O-NH1 3.46Å; A527-R550 PolarHBondContact O-NH2 3.04Å; A527-L553 HydrophobicContact CB-CD1 4.12Å; A527-E559 CarbonylContact C-O 3.53Å; A527-V560 HydrophobicContact CB-CG2 4.36Å; A527-V560 WeakPolarHBondContact O-CA 3.48Å; A527-G561 PolarHBondContact O-N 2.81Å
528	T	98.6	Very high	97.5	Very high	69 Å²	69	50 Å²	50	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.9	177	54.8	0	0	0	0	113.8	K526 P530 E559 G561	K526-T528 PolarHBondContact O-N 3.22Å; T528-P530 WeakPolarHBondContact O-CD 3.41Å; T528-E559 HydrophobicContact CG2-CB 4.06Å; T528-E559 HydrophobicContact CG2-CG 4.1Å; T528-G561 VanDerWaalsContact O-CA 3.28Å; T528-G561 WeakPolarHBondContact O-CA 3.3Å
529	T	98.8	Very high	97.7	Very high	26 Å²	26	42 Å²	42	16%	0.16	21%	0.214	C	C	.	.	S	Bend	trans	-66.3	130.2	177.3	-62.2	0	0	0	0	110.1	P524 K526 A527 R550 G626	P524-T529 HydrophobicContact CB-CG2 3.84Å; P524-T529 HydrophobicContact CG-CG2 3.77Å; K526-T529 WeakPolarHBondContact O-CB 3.43Å; K526-T529 PolarHBondContact O-N 3.3Å; K526-T529 PolarHBondContact O-OG1 3.22Å; A527-T529 VanDerWaalsContact C-N 3.25Å; A527-T529 PolarHBondContact O-N 3.46Å; T529-R550 PolarHBondContact O-NH1 2.86Å; T529-R550 PolarHBondContact O-NH2 3.09Å; T529-G626 WeakPolarHBondContact CG2-O 3.37Å
530	P	98.8	Very high	98	Very high	21 Å²	21	41.3 Å²	41.3	14%	0.136	21%	0.209	C	C	.	.			trans	-69.2	150.5	174.8	-19.8	32.6	0	0	0	112.6	T528 E562 L622 A627 H628	T528-P530 WeakPolarHBondContact O-CD 3.41Å; P530-E562 CarbonylContact C-O 3.59Å; P530-E562 WeakPolarHBondContact CA-O 3.44Å; P530-E562 HydrophobicContact CB-CB 4.28Å; P530-L622 HydrophobicContact CB-CD2 3.97Å; P530-L622 HydrophobicContact CG-CD2 3.95Å; P530-A627 HydrophobicContact CB-CB 3.94Å; P530-A627 HydrophobicContact CG-CB 4.49Å; P530-A627 VanDerWaalsContact O-CA 3.3Å; P530-A627 WeakPolarHBondContact O-CA 3.38Å; P530-H628 PolarHBondContact O-N 3.25Å
531	V	98.9	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.3	177.4	-59.2	0	0	0	0	111.4	L523 P524 E562 T563 L564 H628 Y630	L523-V531 HydrophobicContact CD2-CG1 3.96Å; P524-V531 HydrophobicContact CG-CG1 3.67Å; V531-E562 PolarHBondContact N-O 3.22Å; V531-T563 HydrophobicContact CG2-CG2 3.69Å; V531-L564 PolarHBondContact O-N 3.25Å; V531-H628 WeakPolarHBondContact CA-O 2.98Å; V531-Y630 HydrophobicContact CB-CE2 4.09Å; V531-Y630 HydrophobicContact CG1-CE2 4.02Å
532	I	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.8	177.2	-59.8	161.2	0	0	0	107.2	V534 Y566 L619 L622 I623 A627 H628 I629 Y630 F646	I532-V534 HydrophobicContact CG2-CG2 4.36Å; I532-Y566 HydrophobicContact CG2-CD2 4.28Å; I532-Y566 HydrophobicContact CG2-CE2 4.26Å; I532-L619 HydrophobicContact CD1-CD2 3.88Å; I532-L619 HydrophobicContact CG1-CD2 4.1Å; I532-L619 HydrophobicContact CG2-CD2 4.14Å; I532-L622 HydrophobicContact CD1-CB 4.28Å; I532-L622 HydrophobicContact CD1-CD1 4.47Å; I532-L622 HydrophobicContact CG1-CD1 4.42Å; I532-I623 HydrophobicContact CD1-CG1 4.2Å; I532-A627 HydrophobicContact CD1-CB 4.2Å; I532-H628 PolarHBondContact N-O 3.26Å; I532-I629 HydrophobicContact CB-CG1 4.42Å; I532-I629 HydrophobicContact CD1-CG1 4.2Å; I532-I629 CarbonylContact O-C 3.09Å; I532-I629 WeakPolarHBondContact O-CA 3.23Å; I532-Y630 PolarHBondContact O-N 2.91Å; I532-F646 HydrophobicContact CG2-CZ 4.36Å
533	M	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.2	-175.7	-61	173.6	-62.1	0	0	109.8	F543 F546 I547 T563 L564 L565 Y566 L591 Y630	M533-F543 HydrophobicContact CB-CB 4.47Å; M533-F543 HydrophobicContact CB-CD1 3.61Å; M533-F543 HydrophobicContact CB-CD2 3.98Å; M533-F543 HydrophobicContact CB-CE1 3.72Å; M533-F543 HydrophobicContact CB-CE2 4.08Å; M533-F543 HydrophobicContact CB-CG 3.75Å; M533-F543 HydrophobicContact CB-CZ 3.96Å; M533-F543 HydrophobicContact CG-CD1 3.55Å; M533-F543 HydrophobicContact CG-CE1 3.77Å; M533-F543 HydrophobicContact CG-CG 4.11Å; M533-F543 HydrophobicContact CG-CZ 4.48Å; M533-F543 HydrophobicContact SD-CB 3.98Å; M533-F543 HydrophobicContact SD-CD1 3.61Å; M533-F543 HydrophobicContact SD-CE1 4.41Å; M533-F543 HydrophobicContact SD-CG 4Å; M533-F546 HydrophobicContact CG-CD2 4.4Å; M533-F546 HydrophobicContact SD-CB 3.8Å; M533-F546 HydrophobicContact SD-CD2 3.9Å; M533-F546 HydrophobicContact SD-CG 4.36Å; M533-I547 HydrophobicContact CE-CD1 4.07Å; M533-I547 HydrophobicContact CE-CG1 3.73Å; M533-I547 HydrophobicContact SD-CG1 4.42Å; M533-T563 HydrophobicContact CE-CG2 3.6Å; M533-L564 PolarHBondContact N-O 2.91Å; M533-L565 HydrophobicContact CB-CD1 4.01Å; M533-L565 HydrophobicContact CE-CB 4.22Å; M533-Y566 PolarHBondContact O-N 3.44Å; M533-L591 HydrophobicContact CE-CD1 4.13Å; M533-Y630 HydrophobicContact CG-CD2 4.34Å
534	V	98.9	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	107.7	-178.6	-171.3	0	0	0	0	109.1	I532 F543 V608 L612 Y630 V631 C632 V642	I532-V534 HydrophobicContact CG2-CG2 4.36Å; V534-F543 WeakPolarHBondContact O-CE2 3.44Å; V534-V608 HydrophobicContact CG1-CB 4.02Å; V534-V608 HydrophobicContact CG1-CG2 3.72Å; V534-L612 HydrophobicContact CG1-CD1 4.32Å; V534-L612 HydrophobicContact CG2-CD1 4.13Å; V534-L612 HydrophobicContact CG2-CD2 4.08Å; V534-Y630 PolarHBondContact N-O 2.99Å; V534-V631 HydrophobicContact CB-CG2 4.38Å; V534-V631 WeakPolarHBondContact O-CA 3.37Å; V534-C632 PolarHBondContact O-N 3.25Å; V534-V642 HydrophobicContact CG1-CG1 4.15Å; V534-V642 HydrophobicContact CG1-CG2 3.89Å
535	G	98.4	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.			trans	-152.5	77.9	-170.4	0	0	0	0	0	113.9	G539 V540 Y566 Y567 C632	G535-G539 CarbonylContact O-C 3.6Å; G535-V540 PolarHBondContact O-N 3.25Å; G535-Y566 PolarHBondContact N-O 2.91Å; G535-Y567 VanDerWaalsContact O-CD2 3.28Å; G535-Y567 WeakPolarHBondContact O-CD2 3.45Å; G535-C632 WeakPolarHBondContact CA-O 3.3Å
536	P	98.1	Very high	98.6	Very high	31 Å²	31	17.8 Å²	17.8	20%	0.201	10%	0.103	C	C	.	.			trans	-71	149.8	175.9	29.2	-32.4	0	0	0	112.4	T538 G539 G568 V608 M638	P536-T538 PolarHBondContact O-N 2.93Å; P536-G539 PolarHBondContact O-N 3.02Å; P536-G568 CarbonylContact C-O 3.56Å; P536-G568 WeakPolarHBondContact CA-O 3.48Å; P536-V608 HydrophobicContact CB-CG1 4.13Å; P536-V608 HydrophobicContact CG-CG1 4.41Å; P536-V608 HydrophobicContact CG-CG2 4.21Å; P536-M638 HydrophobicContact CG-CE 4.18Å; P536-M638 HydrophobicContact CG-CG 3.53Å; P536-M638 HydrophobicContact CG-SD 3.89Å
537	G	97.8	Very high	98.6	Very high	24 Å²	24	10.5 Å²	10.5	25%	0.247	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	60.5	-131.3	179.3	0	0	0	0	0	112.2	G539 V540 G568	G537-G539 PolarHBondContact O-N 2.82Å; G537-V540 WeakPolarHBondContact O-CG1 3.39Å; G537-V540 PolarHBondContact O-N 3.12Å; G537-G568 PolarHBondContact N-O 2.83Å
538	T	97.9	Very high	98.6	Very high	26 Å²	26	10.9 Å²	10.9	16%	0.16	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-69.3	-10.9	175.8	45.5	0	0	0	0	113.5	L303 V477 P536 V540 A541	L303-T538 HydrophobicContact CD2-CG2 4.08Å; V477-T538 HydrophobicContact CB-CG2 4.1Å; V477-T538 HydrophobicContact CG1-CG2 4.2Å; P536-T538 PolarHBondContact O-N 2.93Å; T538-V540 PolarHBondContact O-N 3.48Å; T538-V540 VanDerWaalsContact O-N 3.09Å; T538-A541 VanDerWaalsContact O-CB 3.31Å; T538-A541 WeakPolarHBondContact O-CB 3.48Å; T538-A541 PolarHBondContact O-N 2.95Å; T538-A541 VanDerWaalsContact O-N 3.08Å
539	G	98.2	Very high	98.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10	170.8	0	0	0	0	0	114.2	G535 P536 G537 A541 F543 C632	G535-G539 CarbonylContact O-C 3.6Å; P536-G539 PolarHBondContact O-N 3.02Å; G537-G539 PolarHBondContact O-N 2.82Å; G539-A541 PolarHBondContact O-N 3.4Å; G539-F543 WeakPolarHBondContact O-CD2 3.18Å; G539-F543 WeakPolarHBondContact O-CE2 3.49Å; G539-C632 WeakPolarHBondContact CA-O 3.43Å; G539-C632 VanDerWaalsContact O-CB 3.31Å; G539-C632 WeakPolarHBondContact O-CB 3.26Å; G539-C632 PolarHBondContact O-SG 3.46Å
540	V	98.7	Very high	98.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-72.1	-15.7	172.4	76.4	0	0	0	0	113	G535 G537 T538 F543 I544 L565 Y567 L577 Y578	G535-V540 PolarHBondContact O-N 3.25Å; G537-V540 WeakPolarHBondContact O-CG1 3.39Å; G537-V540 PolarHBondContact O-N 3.12Å; T538-V540 PolarHBondContact O-N 3.48Å; T538-V540 VanDerWaalsContact O-N 3.09Å; V540-F543 WeakPolarHBondContact O-CB 3.46Å; V540-F543 PolarHBondContact O-N 3.49Å; V540-I544 HydrophobicContact CG2-CD1 4.13Å; V540-I544 HydrophobicContact CG2-CG1 4.46Å; V540-I544 PolarHBondContact O-N 2.86Å; V540-I544 VanDerWaalsContact O-N 3.16Å; V540-L565 HydrophobicContact CG2-CD2 4.37Å; V540-Y567 HydrophobicContact CB-CD2 3.9Å; V540-Y567 HydrophobicContact CB-CE2 3.88Å; V540-Y567 HydrophobicContact CG1-CE2 4.14Å; V540-Y567 HydrophobicContact CG2-CD2 3.98Å; V540-Y567 HydrophobicContact CG2-CE2 4.29Å; V540-L577 HydrophobicContact CG1-CB 4.35Å; V540-L577 HydrophobicContact CG1-CD1 4.22Å; V540-Y578 HydrophobicContact CG1-CD2 4.18Å; V540-Y578 HydrophobicContact CG1-CE2 4.34Å
541	A	98.6	Very high	98.7	Very high	2 Å²	2	7 Å²	7	2%	0.017	5%	0.046	C	C	.	.	H	α-helix	trans	-48.2	-63.2	-171.3	0	0	0	0	0	113.9	A462 C475 T538 G539 F543 I544	A462-A541 WeakPolarHBondContact CA-O 3.4Å; A462-A541 HydrophobicContact CB-CB 4.39Å; A462-A541 WeakPolarHBondContact CB-O 3.49Å; C475-A541 HydrophobicContact CB-CB 3.77Å; T538-A541 VanDerWaalsContact O-CB 3.31Å; T538-A541 WeakPolarHBondContact O-CB 3.48Å; T538-A541 PolarHBondContact O-N 2.95Å; T538-A541 VanDerWaalsContact O-N 3.08Å; G539-A541 PolarHBondContact O-N 3.4Å; A541-F543 PolarHBondContact O-N 3.4Å; A541-I544 PolarHBondContact O-N 3.35Å
542	P	98.6	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.5	-25.2	-178.1	28.9	-35.8	0	0	0	112.6	F521 I544 G545 F546 C632	F521-P542 HydrophobicContact CD1-CB 4.38Å; F521-P542 HydrophobicContact CE1-CB 4.07Å; F521-P542 HydrophobicContact CE1-CG 4Å; P542-I544 VanDerWaalsContact C-N 3.33Å; P542-I544 PolarHBondContact O-N 2.86Å; P542-G545 PolarHBondContact O-N 3.41Å; P542-G545 VanDerWaalsContact O-N 3.15Å; P542-F546 PolarHBondContact O-N 3.23Å; P542-C632 VanDerWaalsContact CD-SG 3.5Å; P542-C632 HydrophobicContact CG-CB 4.03Å; P542-C632 WeakPolarHBondContact CG-SG 3.46Å
543	F	98.9	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-72.6	-24.9	-178.8	-57	-41.2	0	0	0	113.3	F521 M533 V534 G539 V540 A541 G545 F546 I547 L565 Y630 C632	F521-F543 AromaticContact CE1-CE1 3.79Å; F521-F543 HydrophobicContact CE1-CE1 3.79Å; F521-F543 HydrophobicContact CE1-CZ 4.38Å; F521-F543 AromaticContact CZ-CE1 3.75Å; F521-F543 HydrophobicContact CZ-CE1 3.75Å; F521-F543 AromaticContact CZ-CZ 3.96Å; F521-F543 HydrophobicContact CZ-CZ 3.96Å; M533-F543 HydrophobicContact CB-CB 4.47Å; M533-F543 HydrophobicContact CB-CD1 3.61Å; M533-F543 HydrophobicContact CB-CD2 3.98Å; M533-F543 HydrophobicContact CB-CE1 3.72Å; M533-F543 HydrophobicContact CB-CE2 4.08Å; M533-F543 HydrophobicContact CB-CG 3.75Å; M533-F543 HydrophobicContact CB-CZ 3.96Å; M533-F543 HydrophobicContact CG-CD1 3.55Å; M533-F543 HydrophobicContact CG-CE1 3.77Å; M533-F543 HydrophobicContact CG-CG 4.11Å; M533-F543 HydrophobicContact CG-CZ 4.48Å; M533-F543 HydrophobicContact SD-CB 3.98Å; M533-F543 HydrophobicContact SD-CD1 3.61Å; M533-F543 HydrophobicContact SD-CE1 4.41Å; M533-F543 HydrophobicContact SD-CG 4Å; V534-F543 WeakPolarHBondContact O-CE2 3.44Å; G539-F543 WeakPolarHBondContact O-CD2 3.18Å; G539-F543 WeakPolarHBondContact O-CE2 3.49Å; V540-F543 WeakPolarHBondContact O-CB 3.46Å; V540-F543 PolarHBondContact O-N 3.49Å; A541-F543 PolarHBondContact O-N 3.4Å; F543-G545 VanDerWaalsContact C-N 3.31Å; F543-F546 AromaticContact CD1-CD2 3.97Å; F543-F546 HydrophobicContact CD1-CD2 3.97Å; F543-F546 HydrophobicContact CD1-CE2 4.46Å; F543-F546 HydrophobicContact CD1-CG 4.47Å; F543-F546 HydrophobicContact CE1-CD2 4.34Å; F543-F546 HydrophobicContact CE1-CE2 4.43Å; F543-F546 PolarHBondContact O-N 2.96Å; F543-I547 WeakPolarHBondContact O-CB 3.24Å; F543-I547 WeakPolarHBondContact O-CD1 3.38Å; F543-I547 WeakPolarHBondContact O-CG1 3.27Å; F543-I547 PolarHBondContact O-N 3.31Å; F543-L565 HydrophobicContact CB-CD1 4.19Å; F543-L565 HydrophobicContact CD2-CD1 4.05Å; F543-L565 HydrophobicContact CG-CD1 4.36Å; F543-Y630 VanDerWaalsContact CE1-CB 3.49Å; F543-Y630 HydrophobicContact CE1-CG 4.29Å; F543-C632 HydrophobicContact CE2-CB 3.71Å; F543-C632 HydrophobicContact CZ-CB 3.73Å
544	I	98.9	Very high	98.6	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-46	167.8	-59.6	-57.3	0	0	0	110	A462 V540 A541 P542 I547 Q548 Y578 L582	A462-I544 WeakPolarHBondContact O-CG2 3.3Å; V540-I544 HydrophobicContact CG2-CD1 4.13Å; V540-I544 HydrophobicContact CG2-CG1 4.46Å; V540-I544 PolarHBondContact O-N 2.86Å; V540-I544 VanDerWaalsContact O-N 3.16Å; A541-I544 PolarHBondContact O-N 3.35Å; P542-I544 VanDerWaalsContact C-N 3.33Å; P542-I544 PolarHBondContact O-N 2.86Å; I544-I547 PolarHBondContact O-N 2.95Å; I544-Q548 WeakPolarHBondContact O-CB 3.13Å; I544-Q548 VanDerWaalsContact O-CG 3.24Å; I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.38Å; I544-Y578 HydrophobicContact CD1-CD1 4.45Å; I544-Y578 HydrophobicContact CD1-CD2 3.7Å; I544-Y578 HydrophobicContact CD1-CE2 4.34Å; I544-Y578 HydrophobicContact CD1-CG 3.76Å; I544-Y578 HydrophobicContact CG1-CD2 3.76Å; I544-Y578 HydrophobicContact CG1-CE2 3.87Å; I544-Y578 HydrophobicContact CG1-CG 4.13Å; I544-L582 HydrophobicContact CD1-CD2 3.94Å; I544-L582 HydrophobicContact CD1-CG 4.37Å
545	G	98.8	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-46.4	174.2	0	0	0	0	0	112.6	S319 S463 S464 P542 F543 I547 Q548 E549	S319-G545 PolarHBondContact OG-O 3.02Å; S463-G545 VanDerWaalsContact C-CA 3.47Å; S464-G545 WeakPolarHBondContact CB-O 3.43Å; P542-G545 PolarHBondContact O-N 3.41Å; P542-G545 VanDerWaalsContact O-N 3.15Å; F543-G545 VanDerWaalsContact C-N 3.31Å; G545-I547 VanDerWaalsContact C-N 3.35Å; G545-I547 PolarHBondContact O-N 3.39Å; G545-Q548 WeakPolarHBondContact O-CB 3.38Å; G545-Q548 PolarHBondContact O-N 2.87Å; G545-E549 PolarHBondContact O-N 3.36Å
546	F	98.9	Very high	98.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-45.6	176.7	-78.4	13	0	0	0	112	F521 L523 M533 P542 F543 E549 R550 Y630	F521-F546 HydrophobicContact CD1-CE1 4.41Å; F521-F546 HydrophobicContact CD1-CE2 4.3Å; F521-F546 AromaticContact CD1-CZ 3.7Å; F521-F546 HydrophobicContact CD1-CZ 3.7Å; F521-F546 HydrophobicContact CE1-CE2 4.01Å; F521-F546 AromaticContact CE1-CZ 3.87Å; F521-F546 HydrophobicContact CE1-CZ 3.87Å; L523-F546 HydrophobicContact CD1-CB 4.24Å; L523-F546 HydrophobicContact CD1-CD1 4.18Å; L523-F546 HydrophobicContact CD1-CG 4.17Å; L523-F546 HydrophobicContact CD2-CB 4.02Å; L523-F546 HydrophobicContact CD2-CD1 4.28Å; L523-F546 HydrophobicContact CD2-CD2 3.5Å; L523-F546 VanDerWaalsContact CD2-CD2 3.5Å; L523-F546 HydrophobicContact CD2-CE2 3.95Å; L523-F546 HydrophobicContact CD2-CG 3.69Å; L523-F546 HydrophobicContact CG-CB 4.2Å; L523-F546 HydrophobicContact CG-CD1 3.74Å; L523-F546 HydrophobicContact CG-CD2 3.85Å; L523-F546 HydrophobicContact CG-CE1 4Å; L523-F546 HydrophobicContact CG-CE2 4.1Å; L523-F546 HydrophobicContact CG-CG 3.67Å; L523-F546 HydrophobicContact CG-CZ 4.18Å; M533-F546 HydrophobicContact CG-CD2 4.4Å; M533-F546 HydrophobicContact SD-CB 3.8Å; M533-F546 HydrophobicContact SD-CD2 3.9Å; M533-F546 HydrophobicContact SD-CG 4.36Å; P542-F546 PolarHBondContact O-N 3.23Å; F543-F546 AromaticContact CD1-CD2 3.97Å; F543-F546 HydrophobicContact CD1-CD2 3.97Å; F543-F546 HydrophobicContact CD1-CE2 4.46Å; F543-F546 HydrophobicContact CD1-CG 4.47Å; F543-F546 HydrophobicContact CE1-CD2 4.34Å; F543-F546 HydrophobicContact CE1-CE2 4.43Å; F543-F546 PolarHBondContact O-N 2.96Å; F546-E549 PolarHBondContact O-N 3.15Å; F546-R550 WeakPolarHBondContact O-CB 3.36Å; F546-R550 WeakPolarHBondContact O-CG 3.36Å; F546-R550 PolarHBondContact O-N 3.16Å; F546-Y630 AromaticContact CE2-CD1 3.73Å; F546-Y630 HydrophobicContact CE2-CD1 3.73Å; F546-Y630 HydrophobicContact CE2-CD2 4.16Å; F546-Y630 AromaticContact CE2-CE1 3.73Å; F546-Y630 HydrophobicContact CE2-CE1 3.73Å; F546-Y630 HydrophobicContact CE2-CE2 4.16Å; F546-Y630 AromaticContact CE2-CG 3.96Å; F546-Y630 HydrophobicContact CE2-CG 3.96Å; F546-Y630 AromaticContact CE2-CZ 3.95Å; F546-Y630 HydrophobicContact CZ-CD1 4.31Å; F546-Y630 HydrophobicContact CZ-CE1 4.14Å
547	I	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.7	-41.4	-179.1	-66	163.6	0	0	0	110.7	M533 F543 I544 G545 E549 R550 A551 L565 L582 F585 L591	M533-I547 HydrophobicContact CE-CD1 4.07Å; M533-I547 HydrophobicContact CE-CG1 3.73Å; M533-I547 HydrophobicContact SD-CG1 4.42Å; F543-I547 WeakPolarHBondContact O-CB 3.24Å; F543-I547 WeakPolarHBondContact O-CD1 3.38Å; F543-I547 WeakPolarHBondContact O-CG1 3.27Å; F543-I547 PolarHBondContact O-N 3.31Å; I544-I547 PolarHBondContact O-N 2.95Å; G545-I547 VanDerWaalsContact C-N 3.35Å; G545-I547 PolarHBondContact O-N 3.39Å; I547-E549 VanDerWaalsContact C-N 3.3Å; I547-E549 PolarHBondContact O-N 3.46Å; I547-R550 PolarHBondContact O-N 3.23Å; I547-A551 VanDerWaalsContact O-CB 3.31Å; I547-A551 WeakPolarHBondContact O-CB 3.41Å; I547-A551 PolarHBondContact O-N 2.92Å; I547-L565 HydrophobicContact CD1-CD2 4.04Å; I547-L582 HydrophobicContact CD1-CD2 3.82Å; I547-F585 HydrophobicContact CG2-CB 3.66Å; I547-F585 HydrophobicContact CG2-CD1 3.82Å; I547-F585 HydrophobicContact CG2-CD2 3.49Å; I547-F585 VanDerWaalsContact CG2-CD2 3.49Å; I547-F585 HydrophobicContact CG2-CE1 4.31Å; I547-F585 HydrophobicContact CG2-CE2 4.02Å; I547-F585 HydrophobicContact CG2-CG 3.38Å; I547-F585 HydrophobicContact CG2-CZ 4.41Å; I547-L591 HydrophobicContact CD1-CD1 3.92Å; I547-L591 HydrophobicContact CD1-CD2 4.34Å; I547-L591 HydrophobicContact CG1-CD1 4.08Å
548	Q	98.9	Very high	98.5	Very high	23 Å²	23	34.4 Å²	34.4	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-45.6	172.2	-75.3	173.7	-1.9	0	0	111.4	S463 V467 H468 I544 G545 A551 W552 F585	S463-Q548 VanDerWaalsContact CA-OE1 3.28Å; V467-Q548 HydrophobicContact CG2-CB 4.17Å; H468-Q548 PolarHBondContact CD2-OE1 3.14Å; I544-Q548 WeakPolarHBondContact O-CB 3.13Å; I544-Q548 VanDerWaalsContact O-CG 3.24Å; I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.38Å; G545-Q548 WeakPolarHBondContact O-CB 3.38Å; G545-Q548 PolarHBondContact O-N 2.87Å; Q548-A551 PolarHBondContact O-N 2.99Å; Q548-W552 WeakPolarHBondContact O-CB 3.4Å; Q548-W552 PolarHBondContact O-N 3.38Å; Q548-F585 HydrophobicContact CG-CZ 3.87Å
549	E	98.8	Very high	98.5	Very high	26 Å²	26	40.7 Å²	40.7	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-40.6	180	-164.8	160.3	136.8	0	0	112.6	S464 K466 L523 G545 F546 I547 A551 W552 L553	S464-E549 WeakPolarHBondContact OG-CB 3.37Å; S464-E549 PolarHBondContact OG-OE2 3.42Å; K466-E549 HydrophobicContact CB-CG 4.49Å; K466-E549 HydrophobicContact CG-CG 3.95Å; L523-E549 HydrophobicContact CD1-CB 3.92Å; L523-E549 HydrophobicContact CD1-CG 4.15Å; G545-E549 PolarHBondContact O-N 3.36Å; F546-E549 PolarHBondContact O-N 3.15Å; I547-E549 VanDerWaalsContact C-N 3.3Å; I547-E549 PolarHBondContact O-N 3.46Å; E549-A551 VanDerWaalsContact C-N 3.34Å; E549-A551 PolarHBondContact O-N 3.03Å; E549-W552 WeakPolarHBondContact O-CB 3.28Å; E549-W552 PolarHBondContact O-N 2.79Å; E549-L553 VanDerWaalsContact O-CG 3.3Å; E549-L553 WeakPolarHBondContact O-CG 3.46Å; E549-L553 PolarHBondContact O-N 3.37Å
550	R	98.8	Very high	98.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-40.9	174.8	-66.1	-70.7	-79.1	-170.6	-4.5	111.3	L523 A527 T529 F546 I547 L553 R554 V560 G561 E562 T563	L523-R550 HydrophobicContact CD1-CG 4.21Å; L523-R550 HydrophobicContact CD2-CG 4.34Å; A527-R550 PolarHBondContact O-NH1 3.46Å; A527-R550 PolarHBondContact O-NH2 3.04Å; T529-R550 PolarHBondContact O-NH1 2.86Å; T529-R550 PolarHBondContact O-NH2 3.09Å; F546-R550 WeakPolarHBondContact O-CB 3.36Å; F546-R550 WeakPolarHBondContact O-CG 3.36Å; F546-R550 PolarHBondContact O-N 3.16Å; I547-R550 PolarHBondContact O-N 3.23Å; R550-L553 PolarHBondContact O-N 3.49Å; R550-R554 WeakPolarHBondContact O-CG 3.22Å; R550-R554 PolarHBondContact O-N 3.35Å; R550-V560 HydrophobicContact CB-CG1 4.47Å; R550-G561 PolarHBondContact NH2-O 2.92Å; R550-E562 PolarHBondContact NH2-O 3.34Å; R550-T563 HydrophobicContact CB-CG2 4.44Å; R550-T563 HydrophobicContact CG-CG2 4.15Å; R550-T563 PolarHBondContact NE-OG1 3.18Å; R550-T563 PolarHBondContact NH2-OG1 2.97Å
551	A	98.8	Very high	98.5	Very high	8 Å²	8	42.4 Å²	42.4	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-47.2	172.8	0	0	0	0	0	111.2	I547 Q548 E549 L553 R554 Q555 F585 A590	I547-A551 VanDerWaalsContact O-CB 3.31Å; I547-A551 WeakPolarHBondContact O-CB 3.41Å; I547-A551 PolarHBondContact O-N 2.92Å; Q548-A551 PolarHBondContact O-N 2.99Å; E549-A551 VanDerWaalsContact C-N 3.34Å; E549-A551 PolarHBondContact O-N 3.03Å; A551-L553 PolarHBondContact O-N 3.37Å; A551-R554 WeakPolarHBondContact O-CB 3.41Å; A551-R554 PolarHBondContact O-N 2.77Å; A551-Q555 WeakPolarHBondContact O-CG 3.31Å; A551-Q555 PolarHBondContact O-N 3.42Å; A551-F585 HydrophobicContact CB-CD1 4.2Å; A551-F585 HydrophobicContact CB-CE1 4.15Å; A551-A590 HydrophobicContact CB-CB 3.54Å
552	W	98.8	Very high	98.5	Very high	69 Å²	69	45.3 Å²	45.3	26%	0.261	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-46	176.9	176.4	85.6	0	0	0	111.8	K466 V467 Q548 E549 R554 Q555 Q556	K466-W552 HydrophobicContact CB-CD2 3.85Å; K466-W552 HydrophobicContact CB-CE3 3.91Å; K466-W552 HydrophobicContact CB-CG 4.28Å; K466-W552 HydrophobicContact CB-CZ2 4.48Å; K466-W552 HydrophobicContact CB-CZ3 4.26Å; K466-W552 HydrophobicContact CG-CE3 4.16Å; K466-W552 HydrophobicContact CG-CZ3 4.17Å; V467-W552 HydrophobicContact CG2-CB 3.97Å; V467-W552 HydrophobicContact CG2-CG 4.37Å; Q548-W552 WeakPolarHBondContact O-CB 3.4Å; Q548-W552 PolarHBondContact O-N 3.38Å; E549-W552 WeakPolarHBondContact O-CB 3.28Å; E549-W552 PolarHBondContact O-N 2.79Å; W552-R554 VanDerWaalsContact C-N 3.29Å; W552-R554 PolarHBondContact O-N 2.96Å; W552-Q555 WeakPolarHBondContact O-CB 3.44Å; W552-Q555 PolarHBondContact O-N 3.09Å; W552-Q555 VanDerWaalsContact O-N 3.08Å; W552-Q556 HydrophobicContact CD2-CG 3.94Å; W552-Q556 HydrophobicContact CE3-CG 4.28Å; W552-Q556 HydrophobicContact CH2-CG 4.06Å; W552-Q556 HydrophobicContact CZ2-CG 3.69Å; W552-Q556 HydrophobicContact CZ3-CG 4.35Å; W552-Q556 WeakPolarHBondContact O-CG 3.35Å; W552-Q556 PolarHBondContact O-N 3.1Å
553	L	98.6	Very high	98.6	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-40.5	177.3	-71.2	168.6	0	0	0	112.3	A527 E549 R550 A551 Q556 K558 V560	A527-L553 HydrophobicContact CB-CD1 4.12Å; E549-L553 VanDerWaalsContact O-CG 3.3Å; E549-L553 WeakPolarHBondContact O-CG 3.46Å; E549-L553 PolarHBondContact O-N 3.37Å; R550-L553 PolarHBondContact O-N 3.49Å; A551-L553 PolarHBondContact O-N 3.37Å; L553-Q556 PolarHBondContact O-N 2.82Å; L553-K558 HydrophobicContact CD2-CD 3.64Å; L553-K558 WeakPolarHBondContact O-CB 3.48Å; L553-K558 PolarHBondContact O-N 2.85Å; L553-K558 VanDerWaalsContact O-N 3.14Å; L553-V560 HydrophobicContact CB-CG2 3.72Å
554	R	97.9	Very high	98.6	Very high	103 Å²	103	45.3 Å²	45.3	39%	0.389	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-42.5	174.9	-67.8	171.2	69	116.8	-6.9	111.7	R550 A551 W552 Q556 G557 V560 G589	R550-R554 WeakPolarHBondContact O-CG 3.22Å; R550-R554 PolarHBondContact O-N 3.35Å; A551-R554 WeakPolarHBondContact O-CB 3.41Å; A551-R554 PolarHBondContact O-N 2.77Å; W552-R554 VanDerWaalsContact C-N 3.29Å; W552-R554 PolarHBondContact O-N 2.96Å; R554-Q556 PolarHBondContact O-N 3.03Å; R554-G557 WeakPolarHBondContact O-CA 3.38Å; R554-G557 PolarHBondContact O-N 2.91Å; R554-V560 HydrophobicContact CB-CG2 4.41Å; R554-V560 HydrophobicContact CG-CB 3.65Å; R554-V560 HydrophobicContact CG-CG1 4.25Å; R554-V560 HydrophobicContact CG-CG2 3.48Å; R554-V560 VanDerWaalsContact CG-CG2 3.48Å; R554-G589 PolarHBondContact NH1-O 3.04Å; R554-G589 PolarHBondContact NH2-O 3.08Å
555	Q	97.9	Very high	98.6	Very high	149 Å²	149	45.1 Å²	45.1	70%	0.696	23%	0.227	S	C	*	.	H	α-helix	trans	-63.5	-29.9	176.2	-67.9	167.6	4.6	0	0	112.1	A551 W552 G557	A551-Q555 WeakPolarHBondContact O-CG 3.31Å; A551-Q555 PolarHBondContact O-N 3.42Å; W552-Q555 WeakPolarHBondContact O-CB 3.44Å; W552-Q555 PolarHBondContact O-N 3.09Å; W552-Q555 VanDerWaalsContact O-N 3.08Å; Q555-G557 PolarHBondContact O-N 3.46Å
556	Q	98.1	Very high	98.6	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	5.6	170.8	-59.9	-49.3	-49.2	0	0	113.8	W552 L553 R554 K558	W552-Q556 HydrophobicContact CD2-CG 3.94Å; W552-Q556 HydrophobicContact CE3-CG 4.28Å; W552-Q556 HydrophobicContact CH2-CG 4.06Å; W552-Q556 HydrophobicContact CZ2-CG 3.69Å; W552-Q556 HydrophobicContact CZ3-CG 4.35Å; W552-Q556 WeakPolarHBondContact O-CG 3.35Å; W552-Q556 PolarHBondContact O-N 3.1Å; L553-Q556 PolarHBondContact O-N 2.82Å; R554-Q556 PolarHBondContact O-N 3.03Å; Q556-K558 VanDerWaalsContact C-N 3.3Å; Q556-K558 PolarHBondContact O-N 3.03Å
557	G	97.6	Very high	98.6	Very high	68 Å²	68	45.1 Å²	45.1	70%	0.701	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	14	178.7	0	0	0	0	0	114.6	R554 Q555	R554-G557 WeakPolarHBondContact O-CA 3.38Å; R554-G557 PolarHBondContact O-N 2.91Å; Q555-G557 PolarHBondContact O-N 3.46Å
558	K	98	Very high	98.5	Very high	113 Å²	113	45.5 Å²	45.5	49%	0.491	23%	0.231	S	C	.	.			trans	-79.1	145.6	174.8	-63.9	-179.5	177.9	-179.6	0	110.3	L553 Q556 V560	L553-K558 HydrophobicContact CD2-CD 3.64Å; L553-K558 WeakPolarHBondContact O-CB 3.48Å; L553-K558 PolarHBondContact O-N 2.85Å; L553-K558 VanDerWaalsContact O-N 3.14Å; Q556-K558 VanDerWaalsContact C-N 3.3Å; Q556-K558 PolarHBondContact O-N 3.03Å; K558-V560 PolarHBondContact O-N 2.85Å
559	E	98.3	Very high	98.5	Very high	158 Å²	158	44.8 Å²	44.8	74%	0.738	23%	0.229	S	C	*	.			trans	-71	122.7	166.7	-169.6	-178.8	174.8	0	0	109.3	A527 T528	A527-E559 CarbonylContact C-O 3.53Å; T528-E559 HydrophobicContact CG2-CB 4.06Å; T528-E559 HydrophobicContact CG2-CG 4.1Å
560	V	98.6	Very high	98.4	Very high	21 Å²	21	45.4 Å²	45.4	13%	0.127	23%	0.23	C	C	.	.			trans	-120.3	125.9	-175.5	-177.9	0	0	0	0	108.7	A527 R550 L553 R554 K558	A527-V560 HydrophobicContact CB-CG2 4.36Å; A527-V560 WeakPolarHBondContact O-CA 3.48Å; R550-V560 HydrophobicContact CB-CG1 4.47Å; L553-V560 HydrophobicContact CB-CG2 3.72Å; R554-V560 HydrophobicContact CB-CG2 4.41Å; R554-V560 HydrophobicContact CG-CB 3.65Å; R554-V560 HydrophobicContact CG-CG1 4.25Å; R554-V560 HydrophobicContact CG-CG2 3.48Å; R554-V560 VanDerWaalsContact CG-CG2 3.48Å; K558-V560 PolarHBondContact O-N 2.85Å
561	G	98.6	Very high	98.4	Very high	15 Å²	15	49.7 Å²	49.7	16%	0.155	25%	0.246	C	C	.	.			trans	-66.2	176.9	179	0	0	0	0	0	113.1	A527 T528 R550 T563	A527-G561 PolarHBondContact O-N 2.81Å; T528-G561 VanDerWaalsContact O-CA 3.28Å; T528-G561 WeakPolarHBondContact O-CA 3.3Å; R550-G561 PolarHBondContact NH2-O 2.92Å; G561-T563 PolarHBondContact O-N 3.26Å; G561-T563 PolarHBondContact O-OG1 2.96Å
562	E	98.8	Very high	98.3	Very high	63 Å²	63	51.2 Å²	51.2	29%	0.294	26%	0.257	S	S	.	.			trans	-58	140.6	178.5	-60.1	-172.7	-136.8	0	0	111.7	P530 V531 R550 L564 T592 H618	P530-E562 CarbonylContact C-O 3.59Å; P530-E562 WeakPolarHBondContact CA-O 3.44Å; P530-E562 HydrophobicContact CB-CB 4.28Å; V531-E562 PolarHBondContact N-O 3.22Å; R550-E562 PolarHBondContact NH2-O 3.34Å; E562-L564 HydrophobicContact CB-CD1 3.62Å; E562-T592 WeakPolarHBondContact CA-OG1 3.41Å; E562-T592 HydrophobicContact CB-CG2 4.25Å; E562-T592 HydrophobicContact CG-CG2 4.18Å; E562-H618 IonicContact OE1-CE1 3.37Å; E562-H618 PolarHBondContact OE1-CE1 3.23Å; E562-H618 IonicContact OE1-NE2 2.79Å; E562-H618 IonicContact OE2-CE1 2.68Å; E562-H618 PolarHBondContact OE2-CE1 3.01Å; E562-H618 IonicContact OE2-NE2 2.7Å; E562-H618 PolarHBondContact OE2-NE2 2.98Å
563	T	98.9	Very high	98.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	103.9	-179.6	-55.4	0	0	0	0	107.8	V531 M533 R550 G561 L591 T592 Q593	V531-T563 HydrophobicContact CG2-CG2 3.69Å; M533-T563 HydrophobicContact CE-CG2 3.6Å; R550-T563 HydrophobicContact CB-CG2 4.44Å; R550-T563 HydrophobicContact CG-CG2 4.15Å; R550-T563 PolarHBondContact NE-OG1 3.18Å; R550-T563 PolarHBondContact NH2-OG1 2.97Å; G561-T563 PolarHBondContact O-N 3.26Å; G561-T563 PolarHBondContact O-OG1 2.96Å; T563-L591 HydrophobicContact CG2-CD1 4.02Å; T563-L591 WeakPolarHBondContact O-CD1 3.44Å; T563-T592 PolarHBondContact N-OG1 3.47Å; T563-T592 WeakPolarHBondContact O-CB 3.44Å; T563-T592 PolarHBondContact O-N 2.84Å; T563-Q593 PolarHBondContact O-N 2.68Å
564	L	98.9	Very high	98.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.5	-174.8	-67.7	78.2	0	0	0	109.7	V531 M533 E562 Y566 Q593 L619 L622	V531-L564 PolarHBondContact O-N 3.25Å; M533-L564 PolarHBondContact N-O 2.91Å; E562-L564 HydrophobicContact CB-CD1 3.62Å; L564-Y566 HydrophobicContact CB-CE2 4.2Å; L564-Y566 HydrophobicContact CD2-CE2 4.31Å; L564-Q593 HydrophobicContact CD2-CB 4.48Å; L564-Q593 HydrophobicContact CD2-CG 4.35Å; L564-Q593 HydrophobicContact CG-CB 4.11Å; L564-Q593 HydrophobicContact CG-CG 4.2Å; L564-L619 HydrophobicContact CD2-CD2 4.17Å; L564-L622 HydrophobicContact CD1-CD1 3.76Å; L564-L622 HydrophobicContact CD2-CD1 4.09Å
565	L	98.9	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.2	171.5	178.7	65.3	0	0	0	110.3	M533 V540 F543 I547 L582 L591 Q593 L594 N595	M533-L565 HydrophobicContact CB-CD1 4.01Å; M533-L565 HydrophobicContact CE-CB 4.22Å; V540-L565 HydrophobicContact CG2-CD2 4.37Å; F543-L565 HydrophobicContact CB-CD1 4.19Å; F543-L565 HydrophobicContact CD2-CD1 4.05Å; F543-L565 HydrophobicContact CG-CD1 4.36Å; I547-L565 HydrophobicContact CD1-CD2 4.04Å; L565-L582 HydrophobicContact CD2-CD1 4.16Å; L565-L582 HydrophobicContact CD2-CD2 3.67Å; L565-L591 HydrophobicContact CB-CD1 3.76Å; L565-L591 HydrophobicContact CB-CD2 4.15Å; L565-L591 HydrophobicContact CB-CG 4.49Å; L565-L591 HydrophobicContact CD2-CD2 4.38Å; L565-Q593 PolarHBondContact N-O 3.45Å; L565-L594 HydrophobicContact CD2-CD1 3.96Å; L565-N595 WeakPolarHBondContact O-CB 3.32Å; L565-N595 PolarHBondContact O-N 2.94Å
566	Y	98.9	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	97.9	166.4	-69.7	-91.3	0	0	0	108.7	I532 M533 G535 L564 N595 L611 L612 D615 L619	I532-Y566 HydrophobicContact CG2-CD2 4.28Å; I532-Y566 HydrophobicContact CG2-CE2 4.26Å; M533-Y566 PolarHBondContact O-N 3.44Å; G535-Y566 PolarHBondContact N-O 2.91Å; L564-Y566 HydrophobicContact CB-CE2 4.2Å; L564-Y566 HydrophobicContact CD2-CE2 4.31Å; Y566-N595 CarbonylContact C-O 3.56Å; Y566-N595 WeakPolarHBondContact CA-O 3.36Å; Y566-N595 HydrophobicContact CD1-CB 3.57Å; Y566-N595 HydrophobicContact CE1-CB 3.65Å; Y566-N595 WeakPolarHBondContact CE1-ND2 3.35Å; Y566-N595 HydrophobicContact CG-CB 4.2Å; Y566-N595 PolarHBondContact OH-ND2 2.78Å; Y566-L611 HydrophobicContact CD1-CB 3.74Å; Y566-L611 HydrophobicContact CE1-CB 3.85Å; Y566-L612 HydrophobicContact CD1-CD2 3.82Å; Y566-L612 HydrophobicContact CD1-CG 4.25Å; Y566-L612 HydrophobicContact CD2-CD2 3.62Å; Y566-L612 HydrophobicContact CE1-CD2 3.92Å; Y566-L612 HydrophobicContact CE2-CD2 3.72Å; Y566-L612 HydrophobicContact CG-CD2 3.67Å; Y566-L612 HydrophobicContact CG-CG 4.38Å; Y566-D615 WeakPolarHBondContact CE1-OD2 3.38Å; Y566-D615 VanDerWaalsContact OH-CB 3.25Å; Y566-D615 WeakPolarHBondContact OH-CB 3.48Å; Y566-D615 PolarHBondContact OH-OD2 3.19Å; Y566-L619 HydrophobicContact CE2-CD2 3.98Å
567	Y	98.8	Very high	98.1	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157.2	179.9	178.5	-114.8	0	0	0	110.7	G535 V540 C569 D575 Y576 L577 N595 V596 A597 V608	G535-Y567 VanDerWaalsContact O-CD2 3.28Å; G535-Y567 WeakPolarHBondContact O-CD2 3.45Å; V540-Y567 HydrophobicContact CB-CD2 3.9Å; V540-Y567 HydrophobicContact CB-CE2 3.88Å; V540-Y567 HydrophobicContact CG1-CE2 4.14Å; V540-Y567 HydrophobicContact CG2-CD2 3.98Å; V540-Y567 HydrophobicContact CG2-CE2 4.29Å; Y567-C569 HydrophobicContact CE1-CB 3.88Å; Y567-D575 PolarHBondContact OH-O 3.14Å; Y567-Y576 AromaticContact CD1-CD1 3.94Å; Y567-Y576 HydrophobicContact CD1-CD1 3.94Å; Y567-Y576 AromaticContact CD1-CE1 3.74Å; Y567-Y576 HydrophobicContact CD1-CE1 3.74Å; Y567-Y576 AromaticContact CE1-CD1 3.43Å; Y567-Y576 HydrophobicContact CE1-CD1 3.43Å; Y567-Y576 VanDerWaalsContact CE1-CD1 3.43Å; Y567-Y576 AromaticContact CE1-CE1 3.74Å; Y567-Y576 HydrophobicContact CE1-CE1 3.74Å; Y567-Y576 HydrophobicContact CE1-CG 4.28Å; Y567-L577 WeakPolarHBondContact OH-CG 3.17Å; Y567-L577 PolarHBondContact OH-N 3.39Å; Y567-L577 VanDerWaalsContact OH-N 3.12Å; Y567-N595 PolarHBondContact N-O 2.88Å; Y567-V596 HydrophobicContact CD1-CG1 3.73Å; Y567-V596 HydrophobicContact CD1-CG2 4.31Å; Y567-V596 HydrophobicContact CE1-CG1 4.4Å; Y567-V596 CarbonylContact O-C 3.59Å; Y567-V596 WeakPolarHBondContact O-CA 3.36Å; Y567-A597 PolarHBondContact O-N 3.11Å; Y567-V608 WeakPolarHBondContact O-CG1 3.37Å
568	G	98.3	Very high	98.1	Very high	9 Å²	9	34.6 Å²	34.6	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.8	174.7	0	0	0	0	0	112.1	P536 G537 A597	P536-G568 CarbonylContact C-O 3.56Å; P536-G568 WeakPolarHBondContact CA-O 3.48Å; G537-G568 PolarHBondContact N-O 2.83Å; G568-A597 VanDerWaalsContact CA-O 3.25Å; G568-A597 WeakPolarHBondContact CA-O 3.31Å
569	C	98.3	Very high	98.1	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	-175.8	173.9	67	0	0	0	0	110.1	Y567 R571 D575 A597 F598 S599	Y567-C569 HydrophobicContact CE1-CB 3.88Å; C569-R571 PolarHBondContact SG-O 3.15Å; C569-R571 VanDerWaalsContact SG-O 3.4Å; C569-D575 WeakPolarHBondContact CB-O 3.16Å; C569-D575 WeakPolarHBondContact CB-OD1 3.39Å; C569-A597 PolarHBondContact N-O 3.14Å; C569-F598 WeakPolarHBondContact SG-CD1 3.47Å; C569-F598 VanDerWaalsContact SG-CE1 3.56Å; C569-S599 PolarHBondContact O-N 2.93Å; C569-S599 PolarHBondContact O-OG 3.39Å
570	R	97.2	Very high	98.1	Very high	40 Å²	40	30.5 Å²	30.5	15%	0.151	15%	0.149	C	C	.	.	S	Bend	trans	-76	-54.7	177.7	-65.4	179.7	178.5	-173.9	-0.6	110.4	E300 R301 E574 D575 S599 R600	E300-R570 IonicContact OE1-CZ 2.87Å; E300-R570 IonicContact OE1-NH1 3.62Å; E300-R570 PolarHBondContact OE1-NH1 3.17Å; E300-R570 IonicContact OE1-NH2 3.18Å; E300-R570 IonicContact OE2-NH1 2.77Å; E300-R570 PolarHBondContact OE2-NH1 3.11Å; R301-R570 VanDerWaalsContact NH2-CD 3.3Å; R301-R570 VanDerWaalsContact NH2-NE 3.19Å; R570-E574 IonicContact NH1-OE1 2.69Å; R570-D575 WeakPolarHBondContact CA-OD1 3.42Å; R570-D575 WeakPolarHBondContact CB-OD1 3.2Å; R570-D575 WeakPolarHBondContact CG-OD2 3.34Å; R570-D575 PolarHBondContact N-OD1 2.82Å; R570-D575 PolarHBondContact N-OD2 2.94Å; R570-S599 WeakPolarHBondContact CA-OG 3.49Å; R570-S599 PolarHBondContact O-N 2.89Å; R570-R600 HydrophobicContact CB-CB 4.44Å; R570-R600 HydrophobicContact CB-CG 4.02Å; R570-R600 HydrophobicContact CG-CG 4.31Å; R570-R600 WeakPolarHBondContact O-CA 3.39Å; R570-R600 WeakPolarHBondContact O-CB 3.1Å; R570-R600 PolarHBondContact O-N 2.96Å
571	R	97.9	Very high	98.1	Very high	91 Å²	91	32.1 Å²	32.1	34%	0.343	16%	0.155	S	C	.	.			trans	-145.8	153.3	-179.1	-57.6	-175.9	175.5	96	-5.8	110.7	C569 D573 E574 D575 R600 E601	C569-R571 PolarHBondContact SG-O 3.15Å; C569-R571 VanDerWaalsContact SG-O 3.4Å; R571-D573 VanDerWaalsContact CB-OD1 3.32Å; R571-D573 WeakPolarHBondContact CB-OD1 3.39Å; R571-D573 PolarHBondContact O-N 3.13Å; R571-E574 HydrophobicContact CB-CB 3.91Å; R571-E574 IonicContact CZ-OE2 3.85Å; R571-E574 IonicContact NH1-OE2 2.76Å; R571-E574 PolarHBondContact NH1-OE2 2.75Å; R571-E574 PolarHBondContact O-N 3.34Å; R571-D575 PolarHBondContact N-OD1 2.88Å; R571-D575 PolarHBondContact O-N 3.09Å; R571-R600 HydrophobicContact CG-CB 4.15Å; R571-R600 PolarHBondContact NE-O 2.8Å; R571-E601 HydrophobicContact CB-CG 4.22Å; R571-E601 HydrophobicContact CG-CG 4.13Å
572	S	97.4	Very high	98.2	Very high	41 Å²	41	31.4 Å²	31.4	29%	0.287	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.7	-180	55.6	0	0	0	0	114.3	R579 F598 E601	S572-R579 PolarHBondContact O-NH1 3.44Å; S572-F598 VanDerWaalsContact CA-CE1 3.49Å; S572-E601 WeakPolarHBondContact CB-OE1 3.45Å; S572-E601 PolarHBondContact N-OE1 3.46Å; S572-E601 PolarHBondContact OG-OE1 3.02Å
573	D	96.3	Very high	98.1	Very high	108 Å²	108	30.1 Å²	30.1	58%	0.578	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	3.4	-178.1	66.9	-20.6	0	0	0	113.8	Q297 R571	Q297-D573 WeakPolarHBondContact CB-O 3.19Å; R571-D573 VanDerWaalsContact CB-OD1 3.32Å; R571-D573 WeakPolarHBondContact CB-OD1 3.39Å; R571-D573 PolarHBondContact O-N 3.13Å
574	E	95.6	Very high	98.1	Very high	23 Å²	23	33.6 Å²	33.6	11%	0.107	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-58.8	-175.5	-169	-170.9	142.9	0	0	112	N296 Q297 G298 R570 R571	N296-E574 WeakPolarHBondContact CB-O 3.3Å; Q297-E574 PolarHBondContact N-O 3.09Å; G298-E574 PolarHBondContact N-O 2.75Å; R570-E574 IonicContact NH1-OE1 2.69Å; R571-E574 HydrophobicContact CB-CB 3.91Å; R571-E574 IonicContact CZ-OE2 3.85Å; R571-E574 IonicContact NH1-OE2 2.76Å; R571-E574 PolarHBondContact NH1-OE2 2.75Å; R571-E574 PolarHBondContact O-N 3.34Å
575	D	96.8	Very high	98.1	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	17%	0.172	C	C	.	.	S	Bend	trans	-141.4	29.7	-169.2	68.8	-27	0	0	0	113.5	N296 R301 Y567 C569 R570 R571 L577	N296-D575 HydrophobicContact CB-CB 4.25Å; R301-D575 IonicContact CZ-OD2 3.63Å; R301-D575 IonicContact NH2-OD2 3.59Å; R301-D575 PolarHBondContact NH2-OD2 3.29Å; Y567-D575 PolarHBondContact OH-O 3.14Å; C569-D575 WeakPolarHBondContact CB-O 3.16Å; C569-D575 WeakPolarHBondContact CB-OD1 3.39Å; R570-D575 WeakPolarHBondContact CA-OD1 3.42Å; R570-D575 WeakPolarHBondContact CB-OD1 3.2Å; R570-D575 WeakPolarHBondContact CG-OD2 3.34Å; R570-D575 PolarHBondContact N-OD1 2.82Å; R570-D575 PolarHBondContact N-OD2 2.94Å; R571-D575 PolarHBondContact N-OD1 2.88Å; R571-D575 PolarHBondContact O-N 3.09Å; D575-L577 PolarHBondContact O-N 3.32Å
576	Y	98.4	Very high	98.1	Very high	22 Å²	22	39.5 Å²	39.5	9%	0.086	19%	0.191	C	C	.	.			trans	-74.6	93.6	170.9	-165.5	-15.1	0	0	0	109.7	Y567 R579 L582 L594 V596 F598	Y567-Y576 AromaticContact CD1-CD1 3.94Å; Y567-Y576 HydrophobicContact CD1-CD1 3.94Å; Y567-Y576 AromaticContact CD1-CE1 3.74Å; Y567-Y576 HydrophobicContact CD1-CE1 3.74Å; Y567-Y576 AromaticContact CE1-CD1 3.43Å; Y567-Y576 HydrophobicContact CE1-CD1 3.43Å; Y567-Y576 VanDerWaalsContact CE1-CD1 3.43Å; Y567-Y576 AromaticContact CE1-CE1 3.74Å; Y567-Y576 HydrophobicContact CE1-CE1 3.74Å; Y567-Y576 HydrophobicContact CE1-CG 4.28Å; Y576-R579 HydrophobicContact CD1-CB 3.89Å; Y576-R579 HydrophobicContact CD1-CG 4.28Å; Y576-R579 HydrophobicContact CD2-CB 4.13Å; Y576-R579 HydrophobicContact CD2-CG 3.68Å; Y576-R579 HydrophobicContact CE1-CB 4.24Å; Y576-R579 HydrophobicContact CE1-CG 4.39Å; Y576-R579 HydrophobicContact CE2-CB 4.45Å; Y576-R579 HydrophobicContact CE2-CG 3.79Å; Y576-R579 HydrophobicContact CG-CB 3.83Å; Y576-R579 HydrophobicContact CG-CG 3.93Å; Y576-L582 HydrophobicContact CE1-CD1 4.04Å; Y576-L594 WeakPolarHBondContact OH-CD2 3.31Å; Y576-V596 HydrophobicContact CE1-CG2 4.42Å; Y576-V596 HydrophobicContact CE2-CG1 4.45Å; Y576-V596 HydrophobicContact CE2-CG2 4.42Å; Y576-V596 WeakPolarHBondContact OH-CG2 3.48Å; Y576-F598 AromaticContact CD2-CE1 3.84Å; Y576-F598 HydrophobicContact CD2-CE1 3.84Å; Y576-F598 AromaticContact CD2-CZ 3.98Å; Y576-F598 HydrophobicContact CD2-CZ 3.98Å; Y576-F598 HydrophobicContact CE2-CE1 4.19Å; Y576-F598 AromaticContact CE2-CZ 3.91Å; Y576-F598 HydrophobicContact CE2-CZ 3.91Å; Y576-F598 HydrophobicContact CG-CE1 4.48Å
577	L	98.6	Very high	98.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	138.7	-178.7	-53.8	179.7	0	0	0	111.4	L295 N296 L303 V540 Y567 D575 R579	L295-L577 HydrophobicContact CB-CD2 3.59Å; L295-L577 HydrophobicContact CD1-CD2 4.11Å; L295-L577 HydrophobicContact CG-CD2 4.49Å; N296-L577 HydrophobicContact CB-CD2 4.44Å; L303-L577 HydrophobicContact CB-CD2 3.75Å; L303-L577 HydrophobicContact CD2-CD1 3.79Å; L303-L577 HydrophobicContact CD2-CD2 3.78Å; L303-L577 HydrophobicContact CD2-CG 4.26Å; L303-L577 HydrophobicContact CG-CD2 4.25Å; V540-L577 HydrophobicContact CG1-CB 4.35Å; V540-L577 HydrophobicContact CG1-CD1 4.22Å; Y567-L577 WeakPolarHBondContact OH-CG 3.17Å; Y567-L577 PolarHBondContact OH-N 3.39Å; Y567-L577 VanDerWaalsContact OH-N 3.12Å; D575-L577 PolarHBondContact O-N 3.32Å; L577-R579 PolarHBondContact O-N 3.46Å; L577-R579 VanDerWaalsContact O-N 3.15Å
578	Y	98.7	Very high	98	Very high	6 Å²	6	52 Å²	52	2%	0.024	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	32	178.5	-55.5	-79.7	0	0	0	113.8	L295 H305 C475 V540 I544 E580 E581 L582	L295-Y578 HydrophobicContact CD1-CD2 4.47Å; L295-Y578 HydrophobicContact CD1-CE1 4.34Å; L295-Y578 HydrophobicContact CD1-CE2 3.75Å; L295-Y578 HydrophobicContact CD2-CD1 3.89Å; L295-Y578 HydrophobicContact CD2-CE1 3.64Å; L295-Y578 HydrophobicContact CD2-CE2 4.29Å; L295-Y578 HydrophobicContact CD2-CG 4.31Å; H305-Y578 HydrophobicContact CB-CE1 4.43Å; H305-Y578 AromaticContact ND1-CE1 3.58Å; H305-Y578 AromaticContact ND1-CZ 3.64Å; H305-Y578 PolarHBondContact ND1-OH 3.29Å; C475-Y578 HydrophobicContact CB-CE2 4.17Å; C475-Y578 WeakPolarHBondContact CB-OH 3.36Å; V540-Y578 HydrophobicContact CG1-CD2 4.18Å; V540-Y578 HydrophobicContact CG1-CE2 4.34Å; I544-Y578 HydrophobicContact CD1-CD1 4.45Å; I544-Y578 HydrophobicContact CD1-CD2 3.7Å; I544-Y578 HydrophobicContact CD1-CE2 4.34Å; I544-Y578 HydrophobicContact CD1-CG 3.76Å; I544-Y578 HydrophobicContact CG1-CD2 3.76Å; I544-Y578 HydrophobicContact CG1-CE2 3.87Å; I544-Y578 HydrophobicContact CG1-CG 4.13Å; Y578-E580 VanDerWaalsContact C-N 3.27Å; Y578-E580 PolarHBondContact O-N 3.12Å; Y578-E581 VanDerWaalsContact C-OE2 3.3Å; Y578-E581 VanDerWaalsContact CA-OE2 3.23Å; Y578-E581 WeakPolarHBondContact CA-OE2 3.24Å; Y578-E581 PolarHBondContact O-N 3.35Å; Y578-L582 VanDerWaalsContact O-CB 3.3Å; Y578-L582 WeakPolarHBondContact O-CB 3.48Å; Y578-L582 VanDerWaalsContact O-CG 3.26Å; Y578-L582 WeakPolarHBondContact O-CG 3.36Å; Y578-L582 PolarHBondContact O-N 3.43Å
579	R	98.5	Very high	98	Very high	90 Å²	90	52.6 Å²	52.6	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-55.1	-45.4	-174	-179.7	-178.4	68.4	-179.9	3.8	111.5	S572 Y576 L577 A583	S572-R579 PolarHBondContact O-NH1 3.44Å; Y576-R579 HydrophobicContact CD1-CB 3.89Å; Y576-R579 HydrophobicContact CD1-CG 4.28Å; Y576-R579 HydrophobicContact CD2-CB 4.13Å; Y576-R579 HydrophobicContact CD2-CG 3.68Å; Y576-R579 HydrophobicContact CE1-CB 4.24Å; Y576-R579 HydrophobicContact CE1-CG 4.39Å; Y576-R579 HydrophobicContact CE2-CB 4.45Å; Y576-R579 HydrophobicContact CE2-CG 3.79Å; Y576-R579 HydrophobicContact CG-CB 3.83Å; Y576-R579 HydrophobicContact CG-CG 3.93Å; L577-R579 PolarHBondContact O-N 3.46Å; L577-R579 VanDerWaalsContact O-N 3.15Å; R579-A583 WeakPolarHBondContact O-CB 3.45Å; R579-A583 PolarHBondContact O-N 3Å
580	E	98.4	Very high	97.9	Very high	95 Å²	95	52.5 Å²	52.5	44%	0.444	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-46.1	-178.7	-66.7	68.6	-148.5	0	0	111.3	Y578 A583 Q584	Y578-E580 VanDerWaalsContact C-N 3.27Å; Y578-E580 PolarHBondContact O-N 3.12Å; E580-A583 PolarHBondContact O-N 2.89Å; E580-Q584 WeakPolarHBondContact O-CB 3.39Å; E580-Q584 PolarHBondContact O-N 3.15Å
581	E	98.7	Very high	98	Very high	55 Å²	55	50.6 Å²	50.6	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-45.8	179.1	-60	92.2	145.6	0	0	111.6	R293 Y578 A583 Q584 F585	R293-E581 IonicContact CZ-OE1 3.49Å; R293-E581 IonicContact NH1-OE1 3.62Å; R293-E581 PolarHBondContact NH1-OE1 3.11Å; R293-E581 IonicContact NH2-OE1 2.72Å; R293-E581 PolarHBondContact NH2-OE1 3.11Å; Y578-E581 VanDerWaalsContact C-OE2 3.3Å; Y578-E581 VanDerWaalsContact CA-OE2 3.23Å; Y578-E581 WeakPolarHBondContact CA-OE2 3.24Å; Y578-E581 PolarHBondContact O-N 3.35Å; E581-A583 PolarHBondContact O-N 2.95Å; E581-Q584 WeakPolarHBondContact O-CB 3.44Å; E581-Q584 PolarHBondContact O-N 2.94Å; E581-Q584 VanDerWaalsContact O-N 3.15Å; E581-F585 HydrophobicContact CB-CE2 4.25Å; E581-F585 WeakPolarHBondContact O-CD2 3.36Å; E581-F585 WeakPolarHBondContact O-CG 3.32Å; E581-F585 PolarHBondContact O-N 2.75Å
582	L	98.8	Very high	98	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-40.9	176.8	-70.1	174.1	0	0	0	111.8	I544 I547 L565 Y576 Y578 Q584 F585 H586 L591 L594	I544-L582 HydrophobicContact CD1-CD2 3.94Å; I544-L582 HydrophobicContact CD1-CG 4.37Å; I547-L582 HydrophobicContact CD1-CD2 3.82Å; L565-L582 HydrophobicContact CD2-CD1 4.16Å; L565-L582 HydrophobicContact CD2-CD2 3.67Å; Y576-L582 HydrophobicContact CE1-CD1 4.04Å; Y578-L582 VanDerWaalsContact O-CB 3.3Å; Y578-L582 WeakPolarHBondContact O-CB 3.48Å; Y578-L582 VanDerWaalsContact O-CG 3.26Å; Y578-L582 WeakPolarHBondContact O-CG 3.36Å; Y578-L582 PolarHBondContact O-N 3.43Å; L582-Q584 VanDerWaalsContact C-N 3.3Å; L582-Q584 PolarHBondContact O-N 3.37Å; L582-F585 PolarHBondContact O-N 3.34Å; L582-H586 WeakPolarHBondContact O-CB 3.5Å; L582-H586 PolarHBondContact O-N 2.85Å; L582-L591 HydrophobicContact CD2-CD2 4.47Å; L582-L594 HydrophobicContact CB-CD1 4.3Å; L582-L594 HydrophobicContact CB-CD2 4.1Å; L582-L594 HydrophobicContact CD1-CD1 4.42Å
583	A	98.6	Very high	98.1	Very high	36 Å²	36	49.1 Å²	49.1	30%	0.298	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-35.5	174.4	0	0	0	0	0	112.1	R579 E580 E581 R587	R579-A583 WeakPolarHBondContact O-CB 3.45Å; R579-A583 PolarHBondContact O-N 3Å; E580-A583 PolarHBondContact O-N 2.89Å; E581-A583 PolarHBondContact O-N 2.95Å; A583-R587 WeakPolarHBondContact O-CB 3.4Å; A583-R587 WeakPolarHBondContact O-CG 3.38Å; A583-R587 PolarHBondContact O-N 2.84Å; A583-R587 VanDerWaalsContact O-N 3.08Å; A583-R587 PolarHBondContact O-NE 3.42Å
584	Q	98.7	Very high	98.2	Very high	74 Å²	74	45.5 Å²	45.5	35%	0.346	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-49.5	174.3	-174.4	62.7	54	0	0	111.4	E580 E581 L582 H586 R587 D588	E580-Q584 WeakPolarHBondContact O-CB 3.39Å; E580-Q584 PolarHBondContact O-N 3.15Å; E581-Q584 WeakPolarHBondContact O-CB 3.44Å; E581-Q584 PolarHBondContact O-N 2.94Å; E581-Q584 VanDerWaalsContact O-N 3.15Å; L582-Q584 VanDerWaalsContact C-N 3.3Å; L582-Q584 PolarHBondContact O-N 3.37Å; Q584-H586 VanDerWaalsContact C-N 3.25Å; Q584-H586 PolarHBondContact O-N 3.17Å; Q584-R587 PolarHBondContact O-N 2.91Å; Q584-R587 VanDerWaalsContact O-N 3.1Å; Q584-D588 PolarHBondContact NE2-OD1 3.45Å; Q584-D588 PolarHBondContact NE2-OD2 3.39Å; Q584-D588 PolarHBondContact O-N 2.85Å
585	F	98.8	Very high	98.3	Very high	38 Å²	38	45.3 Å²	45.3	17%	0.167	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-36	177.6	-70.1	-55	0	0	0	113.2	I547 Q548 A551 E581 L582 G589 A590 L591	I547-F585 HydrophobicContact CG2-CB 3.66Å; I547-F585 HydrophobicContact CG2-CD1 3.82Å; I547-F585 HydrophobicContact CG2-CD2 3.49Å; I547-F585 VanDerWaalsContact CG2-CD2 3.49Å; I547-F585 HydrophobicContact CG2-CE1 4.31Å; I547-F585 HydrophobicContact CG2-CE2 4.02Å; I547-F585 HydrophobicContact CG2-CG 3.38Å; I547-F585 HydrophobicContact CG2-CZ 4.41Å; Q548-F585 HydrophobicContact CG-CZ 3.87Å; A551-F585 HydrophobicContact CB-CD1 4.2Å; A551-F585 HydrophobicContact CB-CE1 4.15Å; E581-F585 HydrophobicContact CB-CE2 4.25Å; E581-F585 WeakPolarHBondContact O-CD2 3.36Å; E581-F585 WeakPolarHBondContact O-CG 3.32Å; E581-F585 PolarHBondContact O-N 2.75Å; L582-F585 PolarHBondContact O-N 3.34Å; F585-G589 PolarHBondContact O-N 2.79Å; F585-A590 HydrophobicContact CB-CB 4.44Å; F585-A590 HydrophobicContact CD1-CB 4.31Å; F585-A590 PolarHBondContact O-N 2.89Å; F585-L591 HydrophobicContact CB-CB 4.15Å; F585-L591 PolarHBondContact O-N 3.36Å
586	H	98.6	Very high	98.4	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.398	23%	0.227	S	C	.	.	H	α-helix	trans	-68.2	-45.1	174.5	-176	-153.9	0	0	0	111.8	L582 Q584 D588 G589 L591 L594	L582-H586 WeakPolarHBondContact O-CB 3.5Å; L582-H586 PolarHBondContact O-N 2.85Å; Q584-H586 VanDerWaalsContact C-N 3.25Å; Q584-H586 PolarHBondContact O-N 3.17Å; H586-D588 VanDerWaalsContact C-N 3.31Å; H586-D588 PolarHBondContact O-N 2.81Å; H586-G589 PolarHBondContact O-N 2.94Å; H586-L591 HydrophobicContact CB-CB 4.44Å; H586-L591 PolarHBondContact CD2-O 3.27Å; H586-L591 VanDerWaalsContact CD2-O 3.29Å; H586-L594 HydrophobicContact CB-CB 4.38Å; H586-L594 HydrophobicContact CB-CD2 4.38Å
587	R	98.6	Very high	98.4	Very high	166 Å²	166	45.3 Å²	45.3	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-61.2	-37.8	176.8	-78.3	-177.5	-73.5	114	-4	112.8	A583 Q584 G589	A583-R587 WeakPolarHBondContact O-CB 3.4Å; A583-R587 WeakPolarHBondContact O-CG 3.38Å; A583-R587 PolarHBondContact O-N 2.84Å; A583-R587 VanDerWaalsContact O-N 3.08Å; A583-R587 PolarHBondContact O-NE 3.42Å; Q584-R587 PolarHBondContact O-N 2.91Å; Q584-R587 VanDerWaalsContact O-N 3.1Å; R587-G589 PolarHBondContact O-N 2.86Å
588	D	97.3	Very high	98.4	Very high	97 Å²	97	47.3 Å²	47.3	52%	0.519	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.7	177.9	-61.3	-22.2	0	0	0	112.8	Q584 H586 A590	Q584-D588 PolarHBondContact NE2-OD1 3.45Å; Q584-D588 PolarHBondContact NE2-OD2 3.39Å; Q584-D588 PolarHBondContact O-N 2.85Å; H586-D588 VanDerWaalsContact C-N 3.31Å; H586-D588 PolarHBondContact O-N 2.81Å; D588-A590 PolarHBondContact O-N 3.35Å
589	G	96.9	Very high	98.4	Very high	22 Å²	22	47.8 Å²	47.8	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	3.9	-179.4	0	0	0	0	0	114.5	R554 F585 H586 R587 L591	R554-G589 PolarHBondContact NH1-O 3.04Å; R554-G589 PolarHBondContact NH2-O 3.08Å; F585-G589 PolarHBondContact O-N 2.79Å; H586-G589 PolarHBondContact O-N 2.94Å; R587-G589 PolarHBondContact O-N 2.86Å; G589-L591 VanDerWaalsContact C-N 3.26Å; G589-L591 PolarHBondContact O-N 3.27Å
590	A	97.5	Very high	98.4	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.033	24%	0.236	C	C	.	.	S	Bend	trans	-63.2	-36.2	173.8	0	0	0	0	0	111.7	A551 F585 D588	A551-A590 HydrophobicContact CB-CB 3.54Å; F585-A590 HydrophobicContact CB-CB 4.44Å; F585-A590 HydrophobicContact CD1-CB 4.31Å; F585-A590 PolarHBondContact O-N 2.89Å; D588-A590 PolarHBondContact O-N 3.35Å
591	L	98.4	Very high	98.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.235	C	C	.	.	S	Bend	trans	-101.8	114.6	169.7	-170.8	64.5	0	0	0	108.6	M533 I547 T563 L565 L582 F585 H586 G589 L594	M533-L591 HydrophobicContact CE-CD1 4.13Å; I547-L591 HydrophobicContact CD1-CD1 3.92Å; I547-L591 HydrophobicContact CD1-CD2 4.34Å; I547-L591 HydrophobicContact CG1-CD1 4.08Å; T563-L591 HydrophobicContact CG2-CD1 4.02Å; T563-L591 WeakPolarHBondContact O-CD1 3.44Å; L565-L591 HydrophobicContact CB-CD1 3.76Å; L565-L591 HydrophobicContact CB-CD2 4.15Å; L565-L591 HydrophobicContact CB-CG 4.49Å; L565-L591 HydrophobicContact CD2-CD2 4.38Å; L582-L591 HydrophobicContact CD2-CD2 4.47Å; F585-L591 HydrophobicContact CB-CB 4.15Å; F585-L591 PolarHBondContact O-N 3.36Å; H586-L591 HydrophobicContact CB-CB 4.44Å; H586-L591 PolarHBondContact CD2-O 3.27Å; H586-L591 VanDerWaalsContact CD2-O 3.29Å; G589-L591 VanDerWaalsContact C-N 3.26Å; G589-L591 PolarHBondContact O-N 3.27Å; L591-L594 HydrophobicContact CD2-CB 3.86Å; L591-L594 HydrophobicContact CD2-CD1 3.84Å; L591-L594 HydrophobicContact CD2-CG 4.29Å
592	T	98.7	Very high	98.2	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.319	24%	0.238	S	C	.	.	S	Bend	trans	-71.4	-39.8	-176.3	-51.1	0	0	0	0	111.8	E562 T563	E562-T592 WeakPolarHBondContact CA-OG1 3.41Å; E562-T592 HydrophobicContact CB-CG2 4.25Å; E562-T592 HydrophobicContact CG-CG2 4.18Å; T563-T592 PolarHBondContact N-OG1 3.47Å; T563-T592 WeakPolarHBondContact O-CB 3.44Å; T563-T592 PolarHBondContact O-N 2.84Å
593	Q	98.6	Very high	98.1	Very high	49 Å²	49	54.4 Å²	54.4	23%	0.229	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	134.6	173.9	-60.7	-173.3	19.3	0	0	110.6	T563 L564 L565 N595	T563-Q593 PolarHBondContact O-N 2.68Å; L564-Q593 HydrophobicContact CD2-CB 4.48Å; L564-Q593 HydrophobicContact CD2-CG 4.35Å; L564-Q593 HydrophobicContact CG-CB 4.11Å; L564-Q593 HydrophobicContact CG-CG 4.2Å; L565-Q593 PolarHBondContact N-O 3.45Å; Q593-N595 PolarHBondContact OE1-ND2 3.43Å
594	L	98.8	Very high	98	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	89.7	172.1	179.1	56	0	0	0	109	L565 Y576 L582 H586 L591 V596	L565-L594 HydrophobicContact CD2-CD1 3.96Å; Y576-L594 WeakPolarHBondContact OH-CD2 3.31Å; L582-L594 HydrophobicContact CB-CD1 4.3Å; L582-L594 HydrophobicContact CB-CD2 4.1Å; L582-L594 HydrophobicContact CD1-CD1 4.42Å; H586-L594 HydrophobicContact CB-CB 4.38Å; H586-L594 HydrophobicContact CB-CD2 4.38Å; L591-L594 HydrophobicContact CD2-CB 3.86Å; L591-L594 HydrophobicContact CD2-CD1 3.84Å; L591-L594 HydrophobicContact CD2-CG 4.29Å; L594-V596 HydrophobicContact CD1-CG2 3.93Å; L594-V596 HydrophobicContact CG-CG2 3.99Å
595	N	98.8	Very high	97.9	Very high	18 Å²	18	59.3 Å²	59.3	10%	0.096	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.1	-178.7	-69.2	-54.6	0	0	0	109.6	L565 Y566 Y567 Q593 L611 R614	L565-N595 WeakPolarHBondContact O-CB 3.32Å; L565-N595 PolarHBondContact O-N 2.94Å; Y566-N595 CarbonylContact C-O 3.56Å; Y566-N595 WeakPolarHBondContact CA-O 3.36Å; Y566-N595 HydrophobicContact CD1-CB 3.57Å; Y566-N595 HydrophobicContact CE1-CB 3.65Å; Y566-N595 WeakPolarHBondContact CE1-ND2 3.35Å; Y566-N595 HydrophobicContact CG-CB 4.2Å; Y566-N595 PolarHBondContact OH-ND2 2.78Å; Y567-N595 PolarHBondContact N-O 2.88Å; Q593-N595 PolarHBondContact OE1-ND2 3.43Å; N595-L611 HydrophobicContact CB-CD1 4.15Å; N595-R614 PolarHBondContact OD1-NH2 3Å
596	V	98.8	Very high	97.9	Very high	29 Å²	29	59 Å²	59	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.2	-175.1	-171.3	0	0	0	0	111.8	Y567 Y576 L594 F598	Y567-V596 HydrophobicContact CD1-CG1 3.73Å; Y567-V596 HydrophobicContact CD1-CG2 4.31Å; Y567-V596 HydrophobicContact CE1-CG1 4.4Å; Y567-V596 CarbonylContact O-C 3.59Å; Y567-V596 WeakPolarHBondContact O-CA 3.36Å; Y576-V596 HydrophobicContact CE1-CG2 4.42Å; Y576-V596 HydrophobicContact CE2-CG1 4.45Å; Y576-V596 HydrophobicContact CE2-CG2 4.42Å; Y576-V596 WeakPolarHBondContact OH-CG2 3.48Å; L594-V596 HydrophobicContact CD1-CG2 3.93Å; L594-V596 HydrophobicContact CG-CG2 3.99Å; V596-F598 HydrophobicContact CB-CE1 4.46Å; V596-F598 HydrophobicContact CB-CE2 4.25Å; V596-F598 HydrophobicContact CB-CZ 3.98Å; V596-F598 HydrophobicContact CG1-CD1 4.05Å; V596-F598 HydrophobicContact CG1-CE1 3.45Å; V596-F598 VanDerWaalsContact CG1-CE1 3.45Å; V596-F598 HydrophobicContact CG1-CE2 4.04Å; V596-F598 HydrophobicContact CG1-CZ 3.45Å; V596-F598 VanDerWaalsContact CG1-CZ 3.45Å
597	A	98.6	Very high	97.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.9	175.2	0	0	0	0	0	110.8	Y567 G568 C569 V606 Y607 V608 L611	Y567-A597 PolarHBondContact O-N 3.11Å; G568-A597 VanDerWaalsContact CA-O 3.25Å; G568-A597 WeakPolarHBondContact CA-O 3.31Å; C569-A597 PolarHBondContact N-O 3.14Å; A597-V606 HydrophobicContact CB-CG1 4.06Å; A597-Y607 VanDerWaalsContact CB-C 3.49Å; A597-V608 HydrophobicContact CB-CG1 4.39Å; A597-L611 HydrophobicContact CB-CD1 3.79Å; A597-L611 HydrophobicContact CB-CG 4.23Å
598	F	98.6	Very high	97.9	Very high	43 Å²	43	51.7 Å²	51.7	19%	0.189	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	106.1	173.3	-57.8	-65.3	0	0	0	110.4	C569 S572 Y576 V596 R600 E601 Q602	C569-F598 WeakPolarHBondContact SG-CD1 3.47Å; C569-F598 VanDerWaalsContact SG-CE1 3.56Å; S572-F598 VanDerWaalsContact CA-CE1 3.49Å; Y576-F598 AromaticContact CD2-CE1 3.84Å; Y576-F598 HydrophobicContact CD2-CE1 3.84Å; Y576-F598 AromaticContact CD2-CZ 3.98Å; Y576-F598 HydrophobicContact CD2-CZ 3.98Å; Y576-F598 HydrophobicContact CE2-CE1 4.19Å; Y576-F598 AromaticContact CE2-CZ 3.91Å; Y576-F598 HydrophobicContact CE2-CZ 3.91Å; Y576-F598 HydrophobicContact CG-CE1 4.48Å; V596-F598 HydrophobicContact CB-CE1 4.46Å; V596-F598 HydrophobicContact CB-CE2 4.25Å; V596-F598 HydrophobicContact CB-CZ 3.98Å; V596-F598 HydrophobicContact CG1-CD1 4.05Å; V596-F598 HydrophobicContact CG1-CE1 3.45Å; V596-F598 VanDerWaalsContact CG1-CE1 3.45Å; V596-F598 HydrophobicContact CG1-CE2 4.04Å; V596-F598 HydrophobicContact CG1-CZ 3.45Å; V596-F598 VanDerWaalsContact CG1-CZ 3.45Å; F598-R600 VanDerWaalsContact C-N 3.31Å; F598-R600 PolarHBondContact O-N 3.05Å; F598-E601 HydrophobicContact CB-CB 4.08Å; F598-E601 HydrophobicContact CB-CG 3.75Å; F598-E601 WeakPolarHBondContact CD2-OE2 3.22Å; F598-E601 HydrophobicContact CG-CG 4.34Å; F598-Q602 PolarHBondContact O-NE2 3.19Å; F598-Q602 PolarHBondContact O-OE1 3.45Å
599	S	97.8	Very high	97.9	Very high	16 Å²	16	48 Å²	48	11%	0.112	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.3	-170	63.4	0	0	0	0	115.1	C569 R570 K605 V606	C569-S599 PolarHBondContact O-N 2.93Å; C569-S599 PolarHBondContact O-OG 3.39Å; R570-S599 WeakPolarHBondContact CA-OG 3.49Å; R570-S599 PolarHBondContact O-N 2.89Å; S599-K605 WeakPolarHBondContact O-CD 3.38Å; S599-K605 PolarHBondContact O-NZ 2.8Å; S599-V606 WeakPolarHBondContact CA-O 3.36Å; S599-V606 WeakPolarHBondContact CB-O 3.49Å
600	R	97.4	Very high	97.9	Very high	91 Å²	91	51.2 Å²	51.2	34%	0.343	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	16.7	-174.4	-50.8	-167.4	-177.4	-170.3	-3.7	114.7	R570 R571 F598	R570-R600 HydrophobicContact CB-CB 4.44Å; R570-R600 HydrophobicContact CB-CG 4.02Å; R570-R600 HydrophobicContact CG-CG 4.31Å; R570-R600 WeakPolarHBondContact O-CA 3.39Å; R570-R600 WeakPolarHBondContact O-CB 3.1Å; R570-R600 PolarHBondContact O-N 2.96Å; R571-R600 HydrophobicContact CG-CB 4.15Å; R571-R600 PolarHBondContact NE-O 2.8Å; F598-R600 VanDerWaalsContact C-N 3.31Å; F598-R600 PolarHBondContact O-N 3.05Å
601	E	97.5	Very high	98	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	26%	0.258	S	S	.	.	S	Bend	trans	-88	-13.2	174.9	-73.1	-173.7	179.5	0	0	113.4	R571 S572 F598	R571-E601 HydrophobicContact CB-CG 4.22Å; R571-E601 HydrophobicContact CG-CG 4.13Å; S572-E601 WeakPolarHBondContact CB-OE1 3.45Å; S572-E601 PolarHBondContact N-OE1 3.46Å; S572-E601 PolarHBondContact OG-OE1 3.02Å; F598-E601 HydrophobicContact CB-CB 4.08Å; F598-E601 HydrophobicContact CB-CG 3.75Å; F598-E601 WeakPolarHBondContact CD2-OE2 3.22Å; F598-E601 HydrophobicContact CG-CG 4.34Å
602	Q	96.8	Very high	98	Very high	67 Å²	67	51.8 Å²	51.8	31%	0.313	26%	0.258	S	S	.	.	S	Bend	trans	-135.6	173.4	177.5	65.9	-67.8	-37.3	0	0	111.1	F598 H604 V606	F598-Q602 PolarHBondContact O-NE2 3.19Å; F598-Q602 PolarHBondContact O-OE1 3.45Å; Q602-H604 WeakPolarHBondContact CG-O 3.35Å; Q602-H604 PolarHBondContact NE2-O 3.25Å; Q602-H604 PolarHBondContact O-N 3.36Å; Q602-V606 HydrophobicContact CG-CG2 4.36Å
603	S	96.1	Very high	98	Very high	130 Å²	130	52.4 Å²	52.4	91%	0.909	26%	0.256	S	S	*	.	S	Bend	trans	-66	-35.7	-175.9	58.5	0	0	0	0	113.8
604	H	95.9	Very high	98	Very high	118 Å²	118	56.6 Å²	56.6	55%	0.546	27%	0.27	S	S	.	.	S	Bend	trans	-98.3	155.2	177.9	63.1	-84.4	0	0	0	111.4	Q602	Q602-H604 WeakPolarHBondContact CG-O 3.35Å; Q602-H604 PolarHBondContact NE2-O 3.25Å; Q602-H604 PolarHBondContact O-N 3.36Å
605	K	97.4	Very high	98	Very high	94 Å²	94	56.4 Å²	56.4	41%	0.409	27%	0.269	S	S	.	.			trans	-74.6	130.8	178.9	-63.4	-58.3	-173.4	-173.8	0	111.1	S599 Y607 H610	S599-K605 WeakPolarHBondContact O-CD 3.38Å; S599-K605 PolarHBondContact O-NZ 2.8Å; K605-Y607 HydrophobicContact CB-CD2 4.3Å; K605-Y607 HydrophobicContact CB-CE1 4.19Å; K605-Y607 HydrophobicContact CB-CE2 3.74Å; K605-Y607 HydrophobicContact CD-CE1 4.44Å; K605-Y607 HydrophobicContact CG-CE2 4.26Å; K605-Y607 WeakPolarHBondContact CG-OH 3.43Å; K605-H610 PolarHBondContact O-CE1 3.45Å; K605-H610 PolarHBondContact O-ND1 3.22Å
606	V	98.3	Very high	98	Very high	31 Å²	31	58.9 Å²	58.9	19%	0.188	28%	0.277	C	S	.	.			trans	-113	120.4	167.4	178.2	0	0	0	0	107.7	A597 S599 Q602 L611	A597-V606 HydrophobicContact CB-CG1 4.06Å; S599-V606 WeakPolarHBondContact CA-O 3.36Å; S599-V606 WeakPolarHBondContact CB-O 3.49Å; Q602-V606 HydrophobicContact CG-CG2 4.36Å; V606-L611 HydrophobicContact CG1-CD2 4.38Å
607	Y	98.4	Very high	97.9	Very high	97 Å²	97	64 Å²	64	38%	0.38	30%	0.299	S	S	.	.			trans	-122.7	168.9	179.5	-60.5	-47.7	0	0	0	110.7	A597 K605 Q609 H610	A597-Y607 VanDerWaalsContact CB-C 3.49Å; K605-Y607 HydrophobicContact CB-CD2 4.3Å; K605-Y607 HydrophobicContact CB-CE1 4.19Å; K605-Y607 HydrophobicContact CB-CE2 3.74Å; K605-Y607 HydrophobicContact CD-CE1 4.44Å; K605-Y607 HydrophobicContact CG-CE2 4.26Å; K605-Y607 WeakPolarHBondContact CG-OH 3.43Å; Y607-Q609 VanDerWaalsContact C-N 3.26Å; Y607-Q609 VanDerWaalsContact CB-CD 3.42Å; Y607-Q609 PolarHBondContact O-N 2.94Å; Y607-H610 PolarHBondContact N-ND1 2.94Å; Y607-H610 WeakPolarHBondContact O-CB 3.47Å; Y607-H610 PolarHBondContact O-N 2.98Å
608	V	98.4	Very high	97.9	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-36.9	-176.7	-67.9	0	0	0	0	112.3	V534 P536 Y567 A597 H610 L611 L612 V642	V534-V608 HydrophobicContact CG1-CB 4.02Å; V534-V608 HydrophobicContact CG1-CG2 3.72Å; P536-V608 HydrophobicContact CB-CG1 4.13Å; P536-V608 HydrophobicContact CG-CG1 4.41Å; P536-V608 HydrophobicContact CG-CG2 4.21Å; Y567-V608 WeakPolarHBondContact O-CG1 3.37Å; A597-V608 HydrophobicContact CB-CG1 4.39Å; V608-H610 VanDerWaalsContact C-N 3.26Å; V608-H610 PolarHBondContact O-N 3.14Å; V608-L611 WeakPolarHBondContact O-CB 3.48Å; V608-L611 PolarHBondContact O-N 3.46Å; V608-L612 WeakPolarHBondContact O-CG 3.48Å; V608-L612 PolarHBondContact O-N 2.77Å; V608-V642 HydrophobicContact CG2-CG2 3.91Å
609	Q	97.8	Very high	97.9	Very high	20 Å²	20	64.4 Å²	64.4	9%	0.093	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-31.4	175.9	61.5	-87.7	32.3	0	0	113.7	Y607 L611 L612 K613 T645	Y607-Q609 VanDerWaalsContact C-N 3.26Å; Y607-Q609 VanDerWaalsContact CB-CD 3.42Å; Y607-Q609 PolarHBondContact O-N 2.94Å; Q609-L611 VanDerWaalsContact C-N 3.32Å; Q609-L612 PolarHBondContact O-N 3.05Å; Q609-K613 WeakPolarHBondContact O-CB 3.4Å; Q609-K613 PolarHBondContact O-N 3.29Å; Q609-T645 HydrophobicContact CB-CG2 4.32Å; Q609-T645 VanDerWaalsContact CB-OG1 3.31Å; Q609-T645 WeakPolarHBondContact CB-OG1 3.49Å
610	H	98.5	Very high	98	Very high	90 Å²	90	65.3 Å²	65.3	42%	0.417	30%	0.302	S	S	.	.	H	α-helix	trans	-68.6	-36	175.4	-55.4	158.5	0	0	0	111	K605 Y607 V608 R614	K605-H610 PolarHBondContact O-CE1 3.45Å; K605-H610 PolarHBondContact O-ND1 3.22Å; Y607-H610 PolarHBondContact N-ND1 2.94Å; Y607-H610 WeakPolarHBondContact O-CB 3.47Å; Y607-H610 PolarHBondContact O-N 2.98Å; V608-H610 VanDerWaalsContact C-N 3.26Å; V608-H610 PolarHBondContact O-N 3.14Å; H610-R614 PolarHBondContact O-N 2.58Å
611	L	98.7	Very high	98	Very high	16 Å²	16	68.1 Å²	68.1	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-72.1	-38.8	175.3	-55.4	-172.7	0	0	0	111.5	Y566 N595 A597 V606 V608 Q609 K613 R614 D615	Y566-L611 HydrophobicContact CD1-CB 3.74Å; Y566-L611 HydrophobicContact CE1-CB 3.85Å; N595-L611 HydrophobicContact CB-CD1 4.15Å; A597-L611 HydrophobicContact CB-CD1 3.79Å; A597-L611 HydrophobicContact CB-CG 4.23Å; V606-L611 HydrophobicContact CG1-CD2 4.38Å; V608-L611 WeakPolarHBondContact O-CB 3.48Å; V608-L611 PolarHBondContact O-N 3.46Å; Q609-L611 VanDerWaalsContact C-N 3.32Å; L611-K613 VanDerWaalsContact C-N 3.35Å; L611-K613 PolarHBondContact O-N 2.88Å; L611-R614 WeakPolarHBondContact O-CB 3.35Å; L611-R614 PolarHBondContact O-N 3.16Å; L611-D615 PolarHBondContact O-N 2.99Å
612	L	98.8	Very high	98.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-46.4	172.4	-65.7	174.5	0	0	0	111	V534 Y566 V608 Q609 R614 D615 R616 L619 V642 T645 F646 I649	V534-L612 HydrophobicContact CG1-CD1 4.32Å; V534-L612 HydrophobicContact CG2-CD1 4.13Å; V534-L612 HydrophobicContact CG2-CD2 4.08Å; Y566-L612 HydrophobicContact CD1-CD2 3.82Å; Y566-L612 HydrophobicContact CD1-CG 4.25Å; Y566-L612 HydrophobicContact CD2-CD2 3.62Å; Y566-L612 HydrophobicContact CE1-CD2 3.92Å; Y566-L612 HydrophobicContact CE2-CD2 3.72Å; Y566-L612 HydrophobicContact CG-CD2 3.67Å; Y566-L612 HydrophobicContact CG-CG 4.38Å; V608-L612 WeakPolarHBondContact O-CG 3.48Å; V608-L612 PolarHBondContact O-N 2.77Å; Q609-L612 PolarHBondContact O-N 3.05Å; L612-R614 VanDerWaalsContact C-N 3.3Å; L612-R614 PolarHBondContact O-N 2.99Å; L612-D615 CarbonylContact O-C 3.58Å; L612-D615 PolarHBondContact O-N 3.47Å; L612-R616 PolarHBondContact O-N 2.87Å; L612-R616 VanDerWaalsContact O-N 3.12Å; L612-L619 HydrophobicContact CB-CD1 4.12Å; L612-L619 HydrophobicContact CD2-CD1 3.65Å; L612-L619 WeakPolarHBondContact O-CD1 3.42Å; L612-V642 HydrophobicContact CD1-CG1 3.89Å; L612-V642 HydrophobicContact CD1-CG2 4.41Å; L612-T645 HydrophobicContact CB-CG2 4.01Å; L612-F646 HydrophobicContact CD1-CE2 4.03Å; L612-F646 HydrophobicContact CD1-CZ 4.17Å; L612-F646 HydrophobicContact CD2-CZ 4.19Å; L612-I649 HydrophobicContact CB-CD1 4.43Å
613	K	98.3	Very high	98.1	Very high	66 Å²	66	61.2 Å²	61.2	29%	0.287	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-35.2	177.2	-169.4	69.5	-175.6	180	0	112.4	Q609 L611 R616 T645 E652	Q609-K613 WeakPolarHBondContact O-CB 3.4Å; Q609-K613 PolarHBondContact O-N 3.29Å; L611-K613 VanDerWaalsContact C-N 3.35Å; L611-K613 PolarHBondContact O-N 2.88Å; K613-R616 WeakPolarHBondContact O-CB 3.46Å; K613-R616 VanDerWaalsContact O-CD 3.29Å; K613-R616 WeakPolarHBondContact O-CD 3.34Å; K613-R616 VanDerWaalsContact O-CG 3.26Å; K613-R616 WeakPolarHBondContact O-CG 3.47Å; K613-R616 PolarHBondContact O-NH1 3.04Å; K613-T645 HydrophobicContact CB-CG2 4.29Å; K613-E652 IonicContact NZ-OE2 3.91Å; K613-E652 PolarHBondContact NZ-OE2 2.92Å
614	R	98.5	Very high	98.2	Very high	136 Å²	136	60.4 Å²	60.4	51%	0.513	27%	0.267	S	S	.	.	H	α-helix	trans	-60.4	-45.2	173.6	-175.8	-165.1	69.4	-170.5	-3.2	111.2	N595 H610 L611 L612 R616	N595-R614 PolarHBondContact OD1-NH2 3Å; H610-R614 PolarHBondContact O-N 2.58Å; L611-R614 WeakPolarHBondContact O-CB 3.35Å; L611-R614 PolarHBondContact O-N 3.16Å; L612-R614 VanDerWaalsContact C-N 3.3Å; L612-R614 PolarHBondContact O-N 2.99Å; R614-R616 VanDerWaalsContact C-N 3.32Å; R614-R616 PolarHBondContact O-N 3.2Å
615	D	98.6	Very high	98.2	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.15	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.7	-173.3	-57.6	-21.2	0	0	0	113.6	Y566 L611 L612 E617 H618 L619	Y566-D615 WeakPolarHBondContact CE1-OD2 3.38Å; Y566-D615 VanDerWaalsContact OH-CB 3.25Å; Y566-D615 WeakPolarHBondContact OH-CB 3.48Å; Y566-D615 PolarHBondContact OH-OD2 3.19Å; L611-D615 PolarHBondContact O-N 2.99Å; L612-D615 CarbonylContact O-C 3.58Å; L612-D615 PolarHBondContact O-N 3.47Å; D615-E617 VanDerWaalsContact C-N 3.29Å; D615-E617 PolarHBondContact O-N 3.37Å; D615-E617 VanDerWaalsContact O-N 3.09Å; D615-H618 PolarHBondContact O-N 2.97Å; D615-L619 HydrophobicContact CB-CD1 4.26Å; D615-L619 HydrophobicContact CB-CG 4.22Å; D615-L619 WeakPolarHBondContact O-CG 3.28Å; D615-L619 PolarHBondContact O-N 3.48Å
616	R	98.5	Very high	98.2	Very high	70 Å²	70	54.3 Å²	54.3	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-48.8	-41.2	-170.1	61.9	-172.6	179.6	-66.5	-8.7	115.2	L612 K613 R614 L619 W620 I649 E652 L653	L612-R616 PolarHBondContact O-N 2.87Å; L612-R616 VanDerWaalsContact O-N 3.12Å; K613-R616 WeakPolarHBondContact O-CB 3.46Å; K613-R616 VanDerWaalsContact O-CD 3.29Å; K613-R616 WeakPolarHBondContact O-CD 3.34Å; K613-R616 VanDerWaalsContact O-CG 3.26Å; K613-R616 WeakPolarHBondContact O-CG 3.47Å; K613-R616 PolarHBondContact O-NH1 3.04Å; R614-R616 VanDerWaalsContact C-N 3.32Å; R614-R616 PolarHBondContact O-N 3.2Å; R616-L619 PolarHBondContact O-N 3.42Å; R616-W620 WeakPolarHBondContact O-CB 3.21Å; R616-W620 PolarHBondContact O-N 3.32Å; R616-I649 HydrophobicContact CB-CD1 4.13Å; R616-I649 HydrophobicContact CB-CG1 3.74Å; R616-I649 HydrophobicContact CB-CG2 4.18Å; R616-E652 IonicContact CZ-OE1 2.85Å; R616-E652 IonicContact NE-OE1 2.79Å; R616-E652 PolarHBondContact NE-OE1 3.4Å; R616-E652 IonicContact NE-OE2 3.8Å; R616-E652 IonicContact NH2-OE1 3.87Å; R616-L653 VanDerWaalsContact C-CD1 3.46Å; R616-L653 HydrophobicContact CB-CD1 4.11Å; R616-L653 HydrophobicContact CG-CD1 4.2Å; R616-L653 WeakPolarHBondContact O-CD1 3.24Å
617	E	98.3	Very high	98.2	Very high	137 Å²	137	52.9 Å²	52.9	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-63.6	-45.4	-179.1	-67.5	-177.9	-173.1	0	0	112.1	D615 K621 L653	D615-E617 VanDerWaalsContact C-N 3.29Å; D615-E617 PolarHBondContact O-N 3.37Å; D615-E617 VanDerWaalsContact O-N 3.09Å; E617-K621 PolarHBondContact O-N 2.99Å; E617-L653 HydrophobicContact CG-CD1 4.4Å; E617-L653 HydrophobicContact CG-CD2 4.45Å
618	H	98.5	Very high	98.2	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-43.1	177.8	-172.3	55.1	0	0	0	111.1	E562 D615 W620 K621 L622	E562-H618 IonicContact OE1-CE1 3.37Å; E562-H618 PolarHBondContact OE1-CE1 3.23Å; E562-H618 IonicContact OE1-NE2 2.79Å; E562-H618 IonicContact OE2-CE1 2.68Å; E562-H618 PolarHBondContact OE2-CE1 3.01Å; E562-H618 IonicContact OE2-NE2 2.7Å; E562-H618 PolarHBondContact OE2-NE2 2.98Å; D615-H618 PolarHBondContact O-N 2.97Å; H618-W620 PolarHBondContact O-N 3.01Å; H618-K621 WeakPolarHBondContact O-CB 3.21Å; H618-K621 PolarHBondContact O-N 3.29Å; H618-L622 WeakPolarHBondContact O-CG 3.49Å; H618-L622 PolarHBondContact O-N 3.46Å
619	L	98.7	Very high	98.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-44.9	177.9	-66.2	177.7	0	0	0	111.8	I532 L564 Y566 L612 D615 R616 K621 L622 I623 I649	I532-L619 HydrophobicContact CD1-CD2 3.88Å; I532-L619 HydrophobicContact CG1-CD2 4.1Å; I532-L619 HydrophobicContact CG2-CD2 4.14Å; L564-L619 HydrophobicContact CD2-CD2 4.17Å; Y566-L619 HydrophobicContact CE2-CD2 3.98Å; L612-L619 HydrophobicContact CB-CD1 4.12Å; L612-L619 HydrophobicContact CD2-CD1 3.65Å; L612-L619 WeakPolarHBondContact O-CD1 3.42Å; D615-L619 HydrophobicContact CB-CD1 4.26Å; D615-L619 HydrophobicContact CB-CG 4.22Å; D615-L619 WeakPolarHBondContact O-CG 3.28Å; D615-L619 PolarHBondContact O-N 3.48Å; R616-L619 PolarHBondContact O-N 3.42Å; L619-K621 PolarHBondContact O-N 3.18Å; L619-L622 PolarHBondContact O-N 3.36Å; L619-I623 WeakPolarHBondContact O-CD1 3.5Å; L619-I623 WeakPolarHBondContact O-CG1 3.08Å; L619-I623 PolarHBondContact O-N 3.26Å; L619-I649 HydrophobicContact CD1-CD1 4.28Å
620	W	98.6	Very high	98.3	Very high	34 Å²	34	49 Å²	49	13%	0.129	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-44.2	176.7	176.2	-118.5	0	0	0	112.3	R616 H618 L622 I623 E624 I649 V650 L653 G654 M656 Y664	R616-W620 WeakPolarHBondContact O-CB 3.21Å; R616-W620 PolarHBondContact O-N 3.32Å; H618-W620 PolarHBondContact O-N 3.01Å; W620-L622 VanDerWaalsContact C-N 3.3Å; W620-L622 PolarHBondContact O-N 3.22Å; W620-I623 HydrophobicContact CE3-CB 4.41Å; W620-I623 HydrophobicContact CE3-CG2 4.34Å; W620-I623 HydrophobicContact CZ3-CG2 4.24Å; W620-I623 PolarHBondContact O-N 2.99Å; W620-I623 VanDerWaalsContact O-N 3.15Å; W620-E624 HydrophobicContact CD2-CG 4.05Å; W620-E624 HydrophobicContact CE3-CG 4.41Å; W620-E624 HydrophobicContact CH2-CG 3.93Å; W620-E624 HydrophobicContact CZ2-CG 3.54Å; W620-E624 HydrophobicContact CZ3-CG 4.34Å; W620-E624 PolarHBondContact O-N 2.87Å; W620-I649 HydrophobicContact CB-CG2 4.21Å; W620-V650 HydrophobicContact CE3-CG2 4.18Å; W620-V650 HydrophobicContact CH2-CG1 4.27Å; W620-V650 HydrophobicContact CZ3-CB 4.17Å; W620-V650 HydrophobicContact CZ3-CG1 3.95Å; W620-V650 HydrophobicContact CZ3-CG2 3.82Å; W620-L653 HydrophobicContact CB-CB 3.99Å; W620-L653 HydrophobicContact CB-CD1 3.47Å; W620-L653 VanDerWaalsContact CB-CD1 3.47Å; W620-L653 HydrophobicContact CB-CG 4.39Å; W620-L653 VanDerWaalsContact CD1-CB 3.41Å; W620-L653 HydrophobicContact CD2-CB 4.07Å; W620-L653 HydrophobicContact CG-CB 3.55Å; W620-L653 HydrophobicContact CG-CD1 3.99Å; W620-L653 HydrophobicContact CG-CG 4.44Å; W620-L653 PolarHBondContact NE1-O 3.03Å; W620-G654 VanDerWaalsContact CZ2-CA 3.43Å; W620-M656 HydrophobicContact CH2-CE 4.41Å; W620-Y664 HydrophobicContact CH2-CE2 4.22Å; W620-Y664 AromaticContact CH2-CZ 3.99Å; W620-Y664 HydrophobicContact CZ3-CE1 4.13Å
621	K	98.5	Very high	98.3	Very high	151 Å²	151	44.7 Å²	44.7	66%	0.657	22%	0.219	S	C	*	.	H	α-helix	trans	-57.9	-42.2	175	-177	-174.9	176	-172	0	112.1	E617 H618 L619 G625	E617-K621 PolarHBondContact O-N 2.99Å; H618-K621 WeakPolarHBondContact O-CB 3.21Å; H618-K621 PolarHBondContact O-N 3.29Å; L619-K621 PolarHBondContact O-N 3.18Å; K621-G625 PolarHBondContact O-N 2.84Å
622	L	98.5	Very high	98.3	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-41.6	176.3	-68	179.1	0	0	0	111.7	P530 I532 L564 H618 L619 W620 G625 G626 A627	P530-L622 HydrophobicContact CB-CD2 3.97Å; P530-L622 HydrophobicContact CG-CD2 3.95Å; I532-L622 HydrophobicContact CD1-CB 4.28Å; I532-L622 HydrophobicContact CD1-CD1 4.47Å; I532-L622 HydrophobicContact CG1-CD1 4.42Å; L564-L622 HydrophobicContact CD1-CD1 3.76Å; L564-L622 HydrophobicContact CD2-CD1 4.09Å; H618-L622 WeakPolarHBondContact O-CG 3.49Å; H618-L622 PolarHBondContact O-N 3.46Å; L619-L622 PolarHBondContact O-N 3.36Å; W620-L622 VanDerWaalsContact C-N 3.3Å; W620-L622 PolarHBondContact O-N 3.22Å; L622-G625 CarbonylContact O-C 3.57Å; L622-G625 WeakPolarHBondContact O-CA 3.23Å; L622-G625 PolarHBondContact O-N 2.87Å; L622-G625 VanDerWaalsContact O-N 3.14Å; L622-G626 PolarHBondContact O-N 3.39Å; L622-A627 HydrophobicContact CB-CB 3.91Å; L622-A627 WeakPolarHBondContact O-CB 3.42Å; L622-A627 PolarHBondContact O-N 2.9Å
623	I	98.1	Very high	98.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-47.1	178.4	-67.9	164.1	0	0	0	110.7	I532 L619 W620 G625 G626 I629 F646 Y664 L668 R673	I532-I623 HydrophobicContact CD1-CG1 4.2Å; L619-I623 WeakPolarHBondContact O-CD1 3.5Å; L619-I623 WeakPolarHBondContact O-CG1 3.08Å; L619-I623 PolarHBondContact O-N 3.26Å; W620-I623 HydrophobicContact CE3-CB 4.41Å; W620-I623 HydrophobicContact CE3-CG2 4.34Å; W620-I623 HydrophobicContact CZ3-CG2 4.24Å; W620-I623 PolarHBondContact O-N 2.99Å; W620-I623 VanDerWaalsContact O-N 3.15Å; I623-G625 VanDerWaalsContact C-N 3.25Å; I623-G625 PolarHBondContact O-N 3.25Å; I623-G626 PolarHBondContact O-N 2.94Å; I623-G626 VanDerWaalsContact O-N 3.11Å; I623-I629 HydrophobicContact CD1-CD1 3.91Å; I623-I629 HydrophobicContact CG1-CD1 4.01Å; I623-F646 HydrophobicContact CD1-CD1 4.1Å; I623-F646 HydrophobicContact CD1-CE1 4.08Å; I623-Y664 HydrophobicContact CG2-CE1 4Å; I623-L668 HydrophobicContact CG2-CD1 4.1Å; I623-R673 PolarHBondContact O-NH2 3.33Å
624	E	96.3	Very high	97.8	Very high	113 Å²	113	43.9 Å²	43.9	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-36.6	172.8	-76.9	-74.6	100	0	0	111.4	W620 G626 Y664	W620-E624 HydrophobicContact CD2-CG 4.05Å; W620-E624 HydrophobicContact CE3-CG 4.41Å; W620-E624 HydrophobicContact CH2-CG 3.93Å; W620-E624 HydrophobicContact CZ2-CG 3.54Å; W620-E624 HydrophobicContact CZ3-CG 4.34Å; W620-E624 PolarHBondContact O-N 2.87Å; E624-G626 PolarHBondContact O-N 3.41Å; E624-G626 VanDerWaalsContact O-N 3.14Å; E624-Y664 PolarHBondContact OE1-OH 3.26Å
625	G	95.9	Very high	97.2	Very high	61 Å²	61	37.7 Å²	37.7	63%	0.629	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	3.3	174.5	0	0	0	0	0	115.7	K621 L622 I623	K621-G625 PolarHBondContact O-N 2.84Å; L622-G625 CarbonylContact O-C 3.57Å; L622-G625 WeakPolarHBondContact O-CA 3.23Å; L622-G625 PolarHBondContact O-N 2.87Å; L622-G625 VanDerWaalsContact O-N 3.14Å; I623-G625 VanDerWaalsContact C-N 3.25Å; I623-G625 PolarHBondContact O-N 3.25Å
626	G	97.8	Very high	96.6	Very high	23 Å²	23	43 Å²	43	24%	0.237	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	12.8	175.7	0	0	0	0	0	115.3	T529 L622 I623 E624 R673	T529-G626 WeakPolarHBondContact CG2-O 3.37Å; L622-G626 PolarHBondContact O-N 3.39Å; I623-G626 PolarHBondContact O-N 2.94Å; I623-G626 VanDerWaalsContact O-N 3.11Å; E624-G626 PolarHBondContact O-N 3.41Å; E624-G626 VanDerWaalsContact O-N 3.14Å; G626-R673 VanDerWaalsContact CA-CZ 3.49Å; G626-R673 PolarHBondContact O-NE 2.9Å
627	A	98.5	Very high	96.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.008	22%	0.221	C	C	.	.			trans	-58.8	155.3	179.4	0	0	0	0	0	113.3	P530 I532 L622 R673	P530-A627 HydrophobicContact CB-CB 3.94Å; P530-A627 HydrophobicContact CG-CB 4.49Å; P530-A627 VanDerWaalsContact O-CA 3.3Å; P530-A627 WeakPolarHBondContact O-CA 3.38Å; I532-A627 HydrophobicContact CD1-CB 4.2Å; L622-A627 HydrophobicContact CB-CB 3.91Å; L622-A627 WeakPolarHBondContact O-CB 3.42Å; L622-A627 PolarHBondContact O-N 2.9Å; A627-R673 PolarHBondContact O-NE 3.21Å; A627-R673 VanDerWaalsContact O-NE 3.14Å; A627-R673 PolarHBondContact O-NH2 3.36Å
628	H	98.8	Very high	96	Very high	35 Å²	35	37.6 Å²	37.6	16%	0.162	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.9	171	-75	-135.4	0	0	0	110.4	P524 P530 V531 I532 Y630 G672 R673	P524-H628 HydrophobicContact CG-CB 3.97Å; P530-H628 PolarHBondContact O-N 3.25Å; V531-H628 WeakPolarHBondContact CA-O 2.98Å; I532-H628 PolarHBondContact N-O 3.26Å; H628-Y630 HydrophobicContact CB-CD2 4.44Å; H628-Y630 HydrophobicContact CB-CE2 3.49Å; H628-Y630 VanDerWaalsContact CB-CE2 3.49Å; H628-Y630 WeakPolarHBondContact CB-OH 3.46Å; H628-Y630 PolarHBondContact ND1-OH 3.1Å; H628-G672 PolarHBondContact CE1-O 3.15Å; H628-G672 VanDerWaalsContact CE1-O 3.27Å; H628-G672 PolarHBondContact ND1-O 3.46Å; H628-G672 VanDerWaalsContact ND1-O 3.13Å; H628-R673 CarbonylContact C-O 3.59Å; H628-R673 WeakPolarHBondContact CA-O 3.36Å
629	I	98.9	Very high	95.7	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.4	177.5	-59.6	167.1	0	0	0	108.5	I532 I623 V631 F646 L668 R673 Y674 S675	I532-I629 HydrophobicContact CB-CG1 4.42Å; I532-I629 HydrophobicContact CD1-CG1 4.2Å; I532-I629 CarbonylContact O-C 3.09Å; I532-I629 WeakPolarHBondContact O-CA 3.23Å; I623-I629 HydrophobicContact CD1-CD1 3.91Å; I623-I629 HydrophobicContact CG1-CD1 4.01Å; I629-V631 HydrophobicContact CG2-CG2 4.31Å; I629-F646 HydrophobicContact CD1-CD1 4.01Å; I629-F646 HydrophobicContact CD1-CE1 3.79Å; I629-F646 HydrophobicContact CD1-CE2 4.49Å; I629-F646 HydrophobicContact CD1-CG 4.47Å; I629-F646 HydrophobicContact CD1-CZ 4.04Å; I629-F646 HydrophobicContact CG1-CE1 4.39Å; I629-F646 HydrophobicContact CG1-CZ 4.3Å; I629-F646 HydrophobicContact CG2-CD2 4.41Å; I629-F646 HydrophobicContact CG2-CE2 3.64Å; I629-F646 HydrophobicContact CG2-CZ 3.71Å; I629-L668 HydrophobicContact CD1-CD1 4.27Å; I629-R673 PolarHBondContact N-O 3.02Å; I629-Y674 HydrophobicContact CB-CD2 3.86Å; I629-Y674 HydrophobicContact CB-CE2 4.37Å; I629-Y674 HydrophobicContact CB-CG 4.27Å; I629-Y674 HydrophobicContact CD1-CD2 3.81Å; I629-Y674 HydrophobicContact CD1-CE2 4.29Å; I629-Y674 HydrophobicContact CG1-CD2 4.45Å; I629-Y674 HydrophobicContact CG2-CD2 3.74Å; I629-Y674 HydrophobicContact CG2-CE2 3.74Å; I629-Y674 HydrophobicContact CG2-CG 4.33Å; I629-Y674 CarbonylContact O-C 3.57Å; I629-Y674 WeakPolarHBondContact O-CA 3.13Å; I629-S675 PolarHBondContact O-N 2.77Å
630	Y	98.8	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.3	178.1	-59.2	-86.1	0	0	0	109.6	F521 R522 P524 V531 I532 M533 V534 F543 F546 H628 S675	F521-Y630 HydrophobicContact CD1-CD1 4.42Å; F521-Y630 HydrophobicContact CD2-CD1 4.24Å; F521-Y630 HydrophobicContact CE1-CD1 4.01Å; F521-Y630 AromaticContact CE2-CD1 3.82Å; F521-Y630 HydrophobicContact CE2-CD1 3.82Å; F521-Y630 HydrophobicContact CE2-CG 4.48Å; F521-Y630 AromaticContact CZ-CD1 3.73Å; F521-Y630 HydrophobicContact CZ-CD1 3.73Å; F521-Y630 HydrophobicContact CZ-CG 4.12Å; R522-Y630 WeakPolarHBondContact O-CE1 3.45Å; R522-Y630 VanDerWaalsContact O-CZ 3.23Å; R522-Y630 PolarHBondContact O-OH 3.47Å; P524-Y630 VanDerWaalsContact CD-OH 3.3Å; P524-Y630 WeakPolarHBondContact CD-OH 3.47Å; V531-Y630 HydrophobicContact CB-CE2 4.09Å; V531-Y630 HydrophobicContact CG1-CE2 4.02Å; I532-Y630 PolarHBondContact O-N 2.91Å; M533-Y630 HydrophobicContact CG-CD2 4.34Å; V534-Y630 PolarHBondContact N-O 2.99Å; F543-Y630 VanDerWaalsContact CE1-CB 3.49Å; F543-Y630 HydrophobicContact CE1-CG 4.29Å; F546-Y630 AromaticContact CE2-CD1 3.73Å; F546-Y630 HydrophobicContact CE2-CD1 3.73Å; F546-Y630 HydrophobicContact CE2-CD2 4.16Å; F546-Y630 AromaticContact CE2-CE1 3.73Å; F546-Y630 HydrophobicContact CE2-CE1 3.73Å; F546-Y630 HydrophobicContact CE2-CE2 4.16Å; F546-Y630 AromaticContact CE2-CG 3.96Å; F546-Y630 HydrophobicContact CE2-CG 3.96Å; F546-Y630 AromaticContact CE2-CZ 3.95Å; F546-Y630 HydrophobicContact CZ-CD1 4.31Å; F546-Y630 HydrophobicContact CZ-CE1 4.14Å; H628-Y630 HydrophobicContact CB-CD2 4.44Å; H628-Y630 HydrophobicContact CB-CE2 3.49Å; H628-Y630 VanDerWaalsContact CB-CE2 3.49Å; H628-Y630 WeakPolarHBondContact CB-OH 3.46Å; H628-Y630 PolarHBondContact ND1-OH 3.1Å; Y630-S675 WeakPolarHBondContact CA-O 3.38Å
631	V	98.6	Very high	95.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	175.8	-172.5	0	0	0	0	109.3	V534 I629 M638 V642 Y674 S675 L676 D677	V534-V631 HydrophobicContact CB-CG2 4.38Å; V534-V631 WeakPolarHBondContact O-CA 3.37Å; I629-V631 HydrophobicContact CG2-CG2 4.31Å; V631-M638 HydrophobicContact CG1-CE 3.92Å; V631-M638 HydrophobicContact CG1-SD 3.86Å; V631-V642 HydrophobicContact CG1-CB 4.44Å; V631-V642 HydrophobicContact CG1-CG1 4.21Å; V631-V642 HydrophobicContact CG2-CG1 3.74Å; V631-Y674 HydrophobicContact CG2-CE1 4.12Å; V631-S675 PolarHBondContact N-O 3.22Å; V631-L676 HydrophobicContact CB-CD2 3.7Å; V631-L676 HydrophobicContact CG1-CD2 4.41Å; V631-L676 HydrophobicContact CG2-CD2 4.26Å; V631-L676 WeakPolarHBondContact O-CA 3.26Å; V631-D677 PolarHBondContact O-N 3.42Å
632	C	98.1	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	141.7	-175.8	179.4	0	0	0	0	111.9	F521 V534 G535 G539 P542 F543 M638 D677 W679	F521-C632 HydrophobicContact CZ-CB 4.4Å; V534-C632 PolarHBondContact O-N 3.25Å; G535-C632 WeakPolarHBondContact CA-O 3.3Å; G539-C632 WeakPolarHBondContact CA-O 3.43Å; G539-C632 VanDerWaalsContact O-CB 3.31Å; G539-C632 WeakPolarHBondContact O-CB 3.26Å; G539-C632 PolarHBondContact O-SG 3.46Å; P542-C632 VanDerWaalsContact CD-SG 3.5Å; P542-C632 HydrophobicContact CG-CB 4.03Å; P542-C632 WeakPolarHBondContact CG-SG 3.46Å; F543-C632 HydrophobicContact CE2-CB 3.71Å; F543-C632 HydrophobicContact CZ-CB 3.73Å; C632-M638 WeakPolarHBondContact O-CE 3.42Å; C632-D677 WeakPolarHBondContact CA-O 3.14Å; C632-D677 HydrophobicContact CB-CB 4.32Å; C632-D677 PolarHBondContact SG-O 2.87Å; C632-W679 WeakPolarHBondContact SG-CZ3 3.28Å
633	G	95.2	Very high	95.2	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.1	-134.7	178.5	0	0	0	0	0	113.8	A635 D677 V678 W679	G633-A635 PolarHBondContact O-N 3.03Å; G633-A635 VanDerWaalsContact O-N 3.17Å; G633-D677 PolarHBondContact N-O 2.91Å; G633-V678 CarbonylContact O-C 3.53Å; G633-V678 VanDerWaalsContact O-CA 3.23Å; G633-V678 WeakPolarHBondContact O-CA 3.42Å; G633-V678 WeakPolarHBondContact O-CB 3.33Å; G633-W679 PolarHBondContact O-N 3.33Å
634	D	92.5	Very high	95.2	Very high	64 Å²	64	39.4 Å²	39.4	34%	0.342	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	113.5	-175.2	168.8	54.3	0	0	0	112.6	R636 N637 M638 A639	D634-R636 VanDerWaalsContact C-N 3.33Å; D634-R636 WeakPolarHBondContact OD1-CB 3.45Å; D634-R636 PolarHBondContact OD1-N 2.8Å; D634-R636 VanDerWaalsContact OD1-N 3.11Å; D634-N637 WeakPolarHBondContact OD2-CB 3.41Å; D634-N637 PolarHBondContact OD2-N 3.26Å; D634-M638 HydrophobicContact CB-CB 3.92Å; D634-M638 PolarHBondContact OD2-N 3.48Å; D634-A639 PolarHBondContact O-N 3.44Å; D634-A639 VanDerWaalsContact O-N 3.13Å
635	A	86.4	Confident	95.3	Very high	6 Å²	6	34.8 Å²	34.8	5%	0.05	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-29.1	175.5	0	0	0	0	0	112.5	G633 V678 W679	G633-A635 PolarHBondContact O-N 3.03Å; G633-A635 VanDerWaalsContact O-N 3.17Å; A635-V678 HydrophobicContact CB-CB 3.75Å; A635-V678 HydrophobicContact CB-CG2 3.68Å; A635-W679 PolarHBondContact N-O 3.49Å
636	R	84.4	Confident	95.4	Very high	139 Å²	139	32 Å²	32	53%	0.525	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-41.1	-164.9	-164.9	174.1	-166.9	-174.9	3.7	113.3	D212 D634	D212-R636 IonicContact OD1-CZ 3.31Å; D212-R636 IonicContact OD1-NE 3.25Å; D212-R636 IonicContact OD1-NH2 3.34Å; D634-R636 VanDerWaalsContact C-N 3.33Å; D634-R636 WeakPolarHBondContact OD1-CB 3.45Å; D634-R636 PolarHBondContact OD1-N 2.8Å; D634-R636 VanDerWaalsContact OD1-N 3.11Å
637	N	90.1	Very high	95.4	Very high	75 Å²	75	31.6 Å²	31.6	40%	0.401	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-49.7	-176.4	-56.3	-79.7	0	0	0	112	D634 A639 R640 D641	D634-N637 WeakPolarHBondContact OD2-CB 3.41Å; D634-N637 PolarHBondContact OD2-N 3.26Å; N637-A639 PolarHBondContact O-N 2.98Å; N637-R640 PolarHBondContact O-N 3.04Å; N637-D641 PolarHBondContact O-N 2.81Å
638	M	94.6	Very high	95.4	Very high	18 Å²	18	35 Å²	35	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-47.3	-172.2	-176.7	-79.7	-60.4	0	0	112.4	P536 V631 C632 D634 R640 D641 V642	P536-M638 HydrophobicContact CG-CE 4.18Å; P536-M638 HydrophobicContact CG-CG 3.53Å; P536-M638 HydrophobicContact CG-SD 3.89Å; V631-M638 HydrophobicContact CG1-CE 3.92Å; V631-M638 HydrophobicContact CG1-SD 3.86Å; C632-M638 WeakPolarHBondContact O-CE 3.42Å; D634-M638 HydrophobicContact CB-CB 3.92Å; D634-M638 PolarHBondContact OD2-N 3.48Å; M638-R640 VanDerWaalsContact C-N 3.33Å; M638-R640 PolarHBondContact O-N 3.01Å; M638-D641 PolarHBondContact O-N 3.15Å; M638-V642 HydrophobicContact CG-CG2 4.49Å; M638-V642 WeakPolarHBondContact O-CB 3.49Å; M638-V642 WeakPolarHBondContact O-CG2 3.48Å; M638-V642 PolarHBondContact O-N 3.31Å; M638-V642 HydrophobicContact SD-CG2 3.74Å
639	A	91.9	Very high	95.4	Very high	8 Å²	8	33.3 Å²	33.3	7%	0.066	16%	0.158	C	C	.	.	H	α-helix	trans	-57	-46.3	179.5	0	0	0	0	0	112.2	D634 N637 V642 Q643 V678	D634-A639 PolarHBondContact O-N 3.44Å; D634-A639 VanDerWaalsContact O-N 3.13Å; N637-A639 PolarHBondContact O-N 2.98Å; A639-V642 PolarHBondContact O-N 3.32Å; A639-Q643 WeakPolarHBondContact O-CB 3.37Å; A639-Q643 PolarHBondContact O-N 3Å; A639-V678 HydrophobicContact CB-CG1 3.98Å
640	R	92.4	Very high	95.3	Very high	137 Å²	137	33.2 Å²	33.2	52%	0.517	16%	0.158	S	C	.	.	H	α-helix	trans	-62.7	-46.2	178	-174.3	-174.3	66.5	-153.5	-6.6	112.2	N637 M638 V642 Q643 N644	N637-R640 PolarHBondContact O-N 3.04Å; M638-R640 VanDerWaalsContact C-N 3.33Å; M638-R640 PolarHBondContact O-N 3.01Å; R640-V642 VanDerWaalsContact C-N 3.33Å; R640-V642 PolarHBondContact O-N 2.8Å; R640-Q643 PolarHBondContact O-N 2.79Å; R640-N644 WeakPolarHBondContact O-CB 3.39Å; R640-N644 VanDerWaalsContact O-CG 3.29Å; R640-N644 PolarHBondContact O-N 3.29Å; R640-N644 PolarHBondContact O-ND2 3.01Å
641	D	96.4	Very high	95.3	Very high	56 Å²	56	34.1 Å²	34.1	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-66.3	-37.8	-178.2	-69.3	-7.1	0	0	0	111.7	N637 M638 T645	N637-D641 PolarHBondContact O-N 2.81Å; M638-D641 PolarHBondContact O-N 3.15Å; D641-T645 WeakPolarHBondContact O-CB 3.34Å; D641-T645 PolarHBondContact O-N 3.12Å; D641-T645 PolarHBondContact O-OG1 3.06Å
642	V	98.1	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-45.3	173.3	169.4	0	0	0	0	111	V534 V608 L612 V631 M638 A639 R640 T645 F646	V534-V642 HydrophobicContact CG1-CG1 4.15Å; V534-V642 HydrophobicContact CG1-CG2 3.89Å; V608-V642 HydrophobicContact CG2-CG2 3.91Å; L612-V642 HydrophobicContact CD1-CG1 3.89Å; L612-V642 HydrophobicContact CD1-CG2 4.41Å; V631-V642 HydrophobicContact CG1-CB 4.44Å; V631-V642 HydrophobicContact CG1-CG1 4.21Å; V631-V642 HydrophobicContact CG2-CG1 3.74Å; M638-V642 HydrophobicContact CG-CG2 4.49Å; M638-V642 WeakPolarHBondContact O-CB 3.49Å; M638-V642 WeakPolarHBondContact O-CG2 3.48Å; M638-V642 PolarHBondContact O-N 3.31Å; M638-V642 HydrophobicContact SD-CG2 3.74Å; A639-V642 PolarHBondContact O-N 3.32Å; R640-V642 VanDerWaalsContact C-N 3.33Å; R640-V642 PolarHBondContact O-N 2.8Å; V642-T645 WeakPolarHBondContact O-CB 3.49Å; V642-T645 PolarHBondContact O-N 3.45Å; V642-T645 VanDerWaalsContact O-N 3.16Å; V642-F646 HydrophobicContact CG1-CD2 3.85Å; V642-F646 HydrophobicContact CG1-CE2 3.65Å; V642-F646 WeakPolarHBondContact O-CD2 3.25Å; V642-F646 PolarHBondContact O-N 3.17Å
643	Q	97	Very high	95.2	Very high	22 Å²	22	41 Å²	41	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.7	-174.1	166.8	-38.9	0	0	111.9	A639 R640 T645 F646 Y647 M669	A639-Q643 WeakPolarHBondContact O-CB 3.37Å; A639-Q643 PolarHBondContact O-N 3Å; R640-Q643 PolarHBondContact O-N 2.79Å; Q643-T645 VanDerWaalsContact C-N 3.27Å; Q643-T645 PolarHBondContact O-N 3.14Å; Q643-F646 PolarHBondContact O-N 2.82Å; Q643-F646 VanDerWaalsContact O-N 3.11Å; Q643-Y647 HydrophobicContact CG-CE1 3.85Å; Q643-Y647 HydrophobicContact CG-CE2 4.08Å; Q643-Y647 PolarHBondContact NE2-OH 3.33Å; Q643-Y647 PolarHBondContact O-N 3.38Å; Q643-M669 HydrophobicContact CG-CE 4.42Å
644	N	97.5	Very high	95.2	Very high	66 Å²	66	42.1 Å²	42.1	35%	0.353	21%	0.21	S	C	.	.	H	α-helix	trans	-59	-39.3	173.6	-72.8	-20.3	0	0	0	112.1	R640 F646 Y647 D648	R640-N644 WeakPolarHBondContact O-CB 3.39Å; R640-N644 VanDerWaalsContact O-CG 3.29Å; R640-N644 PolarHBondContact O-N 3.29Å; R640-N644 PolarHBondContact O-ND2 3.01Å; N644-F646 VanDerWaalsContact C-N 3.33Å; N644-F646 PolarHBondContact O-N 2.99Å; N644-Y647 WeakPolarHBondContact O-CB 3.47Å; N644-Y647 PolarHBondContact O-N 3.18Å; N644-D648 PolarHBondContact O-N 2.64Å
645	T	98.6	Very high	95.4	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.098	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-38.3	176.5	-58.3	0	0	0	0	111.8	Q609 L612 K613 D641 V642 Q643 D648 I649	Q609-T645 HydrophobicContact CB-CG2 4.32Å; Q609-T645 VanDerWaalsContact CB-OG1 3.31Å; Q609-T645 WeakPolarHBondContact CB-OG1 3.49Å; L612-T645 HydrophobicContact CB-CG2 4.01Å; K613-T645 HydrophobicContact CB-CG2 4.29Å; D641-T645 WeakPolarHBondContact O-CB 3.34Å; D641-T645 PolarHBondContact O-N 3.12Å; D641-T645 PolarHBondContact O-OG1 3.06Å; V642-T645 WeakPolarHBondContact O-CB 3.49Å; V642-T645 PolarHBondContact O-N 3.45Å; V642-T645 VanDerWaalsContact O-N 3.16Å; Q643-T645 VanDerWaalsContact C-N 3.27Å; Q643-T645 PolarHBondContact O-N 3.14Å; T645-D648 PolarHBondContact O-N 2.79Å; T645-I649 HydrophobicContact CG2-CD1 4.14Å; T645-I649 VanDerWaalsContact O-CG1 3.24Å; T645-I649 WeakPolarHBondContact O-CG1 3.43Å; T645-I649 PolarHBondContact O-N 3.01Å
646	F	98.6	Very high	95.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-37.8	172.4	-79.7	-64.8	0	0	0	112.2	I532 L612 I623 I629 V642 Q643 N644 D648 I649 V650 V665 Y674	I532-F646 HydrophobicContact CG2-CZ 4.36Å; L612-F646 HydrophobicContact CD1-CE2 4.03Å; L612-F646 HydrophobicContact CD1-CZ 4.17Å; L612-F646 HydrophobicContact CD2-CZ 4.19Å; I623-F646 HydrophobicContact CD1-CD1 4.1Å; I623-F646 HydrophobicContact CD1-CE1 4.08Å; I629-F646 HydrophobicContact CD1-CD1 4.01Å; I629-F646 HydrophobicContact CD1-CE1 3.79Å; I629-F646 HydrophobicContact CD1-CE2 4.49Å; I629-F646 HydrophobicContact CD1-CG 4.47Å; I629-F646 HydrophobicContact CD1-CZ 4.04Å; I629-F646 HydrophobicContact CG1-CE1 4.39Å; I629-F646 HydrophobicContact CG1-CZ 4.3Å; I629-F646 HydrophobicContact CG2-CD2 4.41Å; I629-F646 HydrophobicContact CG2-CE2 3.64Å; I629-F646 HydrophobicContact CG2-CZ 3.71Å; V642-F646 HydrophobicContact CG1-CD2 3.85Å; V642-F646 HydrophobicContact CG1-CE2 3.65Å; V642-F646 WeakPolarHBondContact O-CD2 3.25Å; V642-F646 PolarHBondContact O-N 3.17Å; Q643-F646 PolarHBondContact O-N 2.82Å; Q643-F646 VanDerWaalsContact O-N 3.11Å; N644-F646 VanDerWaalsContact C-N 3.33Å; N644-F646 PolarHBondContact O-N 2.99Å; F646-D648 VanDerWaalsContact C-N 3.29Å; F646-D648 PolarHBondContact O-N 3.37Å; F646-I649 HydrophobicContact CD1-CD1 4.33Å; F646-I649 PolarHBondContact O-N 3.41Å; F646-V650 WeakPolarHBondContact O-CB 3.44Å; F646-V650 VanDerWaalsContact O-CG2 3.24Å; F646-V650 WeakPolarHBondContact O-CG2 3.36Å; F646-V650 PolarHBondContact O-N 2.84Å; F646-V665 HydrophobicContact CB-CG2 4.43Å; F646-Y674 AromaticContact CD2-CE2 3.71Å; F646-Y674 HydrophobicContact CD2-CE2 3.71Å; F646-Y674 HydrophobicContact CE2-CE2 4.19Å; F646-Y674 HydrophobicContact CG-CE2 4.24Å
647	Y	98.3	Very high	96.4	Very high	15 Å²	15	45.5 Å²	45.5	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-56.5	-46.1	171.4	-57.4	-28.5	0	0	0	111.3	Q643 N644 I649 V650 A651 A661 V662 V665	Q643-Y647 HydrophobicContact CG-CE1 3.85Å; Q643-Y647 HydrophobicContact CG-CE2 4.08Å; Q643-Y647 PolarHBondContact NE2-OH 3.33Å; Q643-Y647 PolarHBondContact O-N 3.38Å; N644-Y647 WeakPolarHBondContact O-CB 3.47Å; N644-Y647 PolarHBondContact O-N 3.18Å; Y647-I649 PolarHBondContact O-N 2.86Å; Y647-V650 PolarHBondContact O-N 3.07Å; Y647-A651 VanDerWaalsContact O-CB 3.28Å; Y647-A651 WeakPolarHBondContact O-CB 3.44Å; Y647-A651 PolarHBondContact O-N 3.44Å; Y647-A661 WeakPolarHBondContact O-CB 3.31Å; Y647-V662 HydrophobicContact CD1-CG2 4.1Å; Y647-V662 HydrophobicContact CD2-CG2 3.78Å; Y647-V662 HydrophobicContact CE1-CB 4.29Å; Y647-V662 HydrophobicContact CE1-CG1 4.38Å; Y647-V662 HydrophobicContact CE1-CG2 4.11Å; Y647-V662 HydrophobicContact CE2-CG2 3.79Å; Y647-V662 HydrophobicContact CG-CG2 3.93Å; Y647-V665 HydrophobicContact CD1-CB 3.85Å; Y647-V665 HydrophobicContact CD1-CG1 4.2Å; Y647-V665 HydrophobicContact CD1-CG2 3.77Å; Y647-V665 HydrophobicContact CE1-CB 3.64Å; Y647-V665 HydrophobicContact CE1-CG1 3.74Å; Y647-V665 HydrophobicContact CE1-CG2 4.11Å
648	D	98.3	Very high	96.7	Very high	72 Å²	72	46.5 Å²	46.5	39%	0.385	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-39.2	179.5	-66.9	-19.9	0	0	0	112.6	N644 T645 F646 E652	N644-D648 PolarHBondContact O-N 2.64Å; T645-D648 PolarHBondContact O-N 2.79Å; F646-D648 VanDerWaalsContact C-N 3.29Å; F646-D648 PolarHBondContact O-N 3.37Å; D648-E652 WeakPolarHBondContact O-CB 3.25Å; D648-E652 PolarHBondContact O-N 3.03Å
649	I	98.4	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-47.1	176.6	-69.2	170.2	0	0	0	110.5	L612 R616 L619 W620 T645 F646 Y647 L653	L612-I649 HydrophobicContact CB-CD1 4.43Å; R616-I649 HydrophobicContact CB-CD1 4.13Å; R616-I649 HydrophobicContact CB-CG1 3.74Å; R616-I649 HydrophobicContact CB-CG2 4.18Å; L619-I649 HydrophobicContact CD1-CD1 4.28Å; W620-I649 HydrophobicContact CB-CG2 4.21Å; T645-I649 HydrophobicContact CG2-CD1 4.14Å; T645-I649 VanDerWaalsContact O-CG1 3.24Å; T645-I649 WeakPolarHBondContact O-CG1 3.43Å; T645-I649 PolarHBondContact O-N 3.01Å; F646-I649 HydrophobicContact CD1-CD1 4.33Å; F646-I649 PolarHBondContact O-N 3.41Å; Y647-I649 PolarHBondContact O-N 2.86Å; I649-L653 HydrophobicContact CG2-CD1 4.27Å; I649-L653 WeakPolarHBondContact O-CB 3.39Å; I649-L653 PolarHBondContact O-N 2.84Å
650	V	97.9	Very high	96.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-41.4	-179.3	174.3	0	0	0	0	111.1	W620 F646 Y647 G654 M656 A661 Y664 V665	W620-V650 HydrophobicContact CE3-CG2 4.18Å; W620-V650 HydrophobicContact CH2-CG1 4.27Å; W620-V650 HydrophobicContact CZ3-CB 4.17Å; W620-V650 HydrophobicContact CZ3-CG1 3.95Å; W620-V650 HydrophobicContact CZ3-CG2 3.82Å; F646-V650 WeakPolarHBondContact O-CB 3.44Å; F646-V650 VanDerWaalsContact O-CG2 3.24Å; F646-V650 WeakPolarHBondContact O-CG2 3.36Å; F646-V650 PolarHBondContact O-N 2.84Å; Y647-V650 PolarHBondContact O-N 3.07Å; V650-G654 WeakPolarHBondContact O-CA 3.18Å; V650-G654 PolarHBondContact O-N 3.23Å; V650-M656 HydrophobicContact CG1-CE 3.83Å; V650-M656 HydrophobicContact CG1-CG 4.43Å; V650-M656 HydrophobicContact CG1-SD 3.68Å; V650-A661 HydrophobicContact CB-CB 4.02Å; V650-A661 HydrophobicContact CG1-CB 3.85Å; V650-Y664 HydrophobicContact CG1-CD1 3.87Å; V650-Y664 HydrophobicContact CG1-CD2 4.45Å; V650-Y664 HydrophobicContact CG1-CE1 4.48Å; V650-Y664 HydrophobicContact CG1-CG 3.86Å; V650-Y664 HydrophobicContact CG2-CD1 4.21Å; V650-Y664 HydrophobicContact CG2-CE1 4.5Å; V650-V665 HydrophobicContact CG2-CG2 4.07Å
651	A	97.8	Very high	97.1	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-49	176.8	0	0	0	0	0	111.6	Y647 A655 M656 A661	Y647-A651 VanDerWaalsContact O-CB 3.28Å; Y647-A651 WeakPolarHBondContact O-CB 3.44Å; Y647-A651 PolarHBondContact O-N 3.44Å; A651-A655 PolarHBondContact O-N 3.49Å; A651-M656 WeakPolarHBondContact CA-O 3.33Å; A651-M656 PolarHBondContact O-N 2.67Å; A651-A661 HydrophobicContact CB-CB 3.84Å
652	E	97.9	Very high	97.1	Very high	93 Å²	93	45.5 Å²	45.5	44%	0.435	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-50.9	-177.8	-177.3	-178	154.9	0	0	112	K613 R616 D648	K613-E652 IonicContact NZ-OE2 3.91Å; K613-E652 PolarHBondContact NZ-OE2 2.92Å; R616-E652 IonicContact CZ-OE1 2.85Å; R616-E652 IonicContact NE-OE1 2.79Å; R616-E652 PolarHBondContact NE-OE1 3.4Å; R616-E652 IonicContact NE-OE2 3.8Å; R616-E652 IonicContact NH2-OE1 3.87Å; D648-E652 WeakPolarHBondContact O-CB 3.25Å; D648-E652 PolarHBondContact O-N 3.03Å
653	L	97.8	Very high	96.9	Very high	51 Å²	51	50.6 Å²	50.6	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-95.8	-21.1	-169.5	-60.2	177.4	0	0	0	113.9	R616 E617 W620 I649 A655	R616-L653 VanDerWaalsContact C-CD1 3.46Å; R616-L653 HydrophobicContact CB-CD1 4.11Å; R616-L653 HydrophobicContact CG-CD1 4.2Å; R616-L653 WeakPolarHBondContact O-CD1 3.24Å; E617-L653 HydrophobicContact CG-CD1 4.4Å; E617-L653 HydrophobicContact CG-CD2 4.45Å; W620-L653 HydrophobicContact CB-CB 3.99Å; W620-L653 HydrophobicContact CB-CD1 3.47Å; W620-L653 VanDerWaalsContact CB-CD1 3.47Å; W620-L653 HydrophobicContact CB-CG 4.39Å; W620-L653 VanDerWaalsContact CD1-CB 3.41Å; W620-L653 HydrophobicContact CD2-CB 4.07Å; W620-L653 HydrophobicContact CG-CB 3.55Å; W620-L653 HydrophobicContact CG-CD1 3.99Å; W620-L653 HydrophobicContact CG-CG 4.44Å; W620-L653 PolarHBondContact NE1-O 3.03Å; I649-L653 HydrophobicContact CG2-CD1 4.27Å; I649-L653 WeakPolarHBondContact O-CB 3.39Å; I649-L653 PolarHBondContact O-N 2.84Å; L653-A655 VanDerWaalsContact C-N 3.31Å
654	G	95.1	Very high	96.9	Very high	25 Å²	25	51.9 Å²	51.9	26%	0.258	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.8	169.4	0	0	0	0	0	113.7	W620 V650 M656	W620-G654 VanDerWaalsContact CZ2-CA 3.43Å; V650-G654 WeakPolarHBondContact O-CA 3.18Å; V650-G654 PolarHBondContact O-N 3.23Å; G654-M656 VanDerWaalsContact C-N 3.31Å; G654-M656 PolarHBondContact O-N 3.04Å
655	A	95.8	Very high	96.9	Very high	96 Å²	96	48.8 Å²	48.8	79%	0.793	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	49.5	-179.3	0	0	0	0	0	112.6	A651 L653	A651-A655 PolarHBondContact O-N 3.49Å; L653-A655 VanDerWaalsContact C-N 3.31Å
656	M	95.4	Very high	96.5	Very high	42 Å²	42	51.8 Å²	51.8	21%	0.207	29%	0.285	C	S	.	.			trans	-129.4	155.5	-178	69.4	-177.2	78.4	0	0	111.5	W620 V650 A651 G654 Q660 A661 Y664	W620-M656 HydrophobicContact CH2-CE 4.41Å; V650-M656 HydrophobicContact CG1-CE 3.83Å; V650-M656 HydrophobicContact CG1-CG 4.43Å; V650-M656 HydrophobicContact CG1-SD 3.68Å; A651-M656 WeakPolarHBondContact CA-O 3.33Å; A651-M656 PolarHBondContact O-N 2.67Å; G654-M656 VanDerWaalsContact C-N 3.31Å; G654-M656 PolarHBondContact O-N 3.04Å; M656-Q660 HydrophobicContact CB-CB 4.02Å; M656-Q660 HydrophobicContact CG-CB 4.14Å; M656-Q660 HydrophobicContact SD-CB 4.06Å; M656-A661 HydrophobicContact CG-CB 4.16Å; M656-A661 HydrophobicContact SD-CB 4.28Å; M656-Y664 HydrophobicContact CE-CD2 4.12Å; M656-Y664 HydrophobicContact SD-CD2 4.49Å
657	E	97.1	Very high	96.4	Very high	143 Å²	143	57.5 Å²	57.5	67%	0.668	31%	0.31	S	S	*	.			trans	-65.2	154.2	177.6	-66	-59.8	138.3	0	0	111	A659 Q660 A661	E657-A659 VanDerWaalsContact C-N 3.27Å; E657-A659 PolarHBondContact O-N 3.28Å; E657-Q660 HydrophobicContact CB-CG 4.36Å; E657-Q660 WeakPolarHBondContact O-CA 3.42Å; E657-Q660 WeakPolarHBondContact O-CB 3.48Å; E657-Q660 PolarHBondContact O-N 3.05Å; E657-A661 PolarHBondContact O-N 3.45Å
658	H	96	Very high	96.3	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.44	31%	0.309	S	S	.	.	H	α-helix	trans	-54.3	-41.7	-176.7	-178.3	78	0	0	0	112.9	Q660 A661 V662	H658-Q660 VanDerWaalsContact C-N 3.3Å; H658-Q660 PolarHBondContact O-N 3.02Å; H658-A661 WeakPolarHBondContact O-CB 3.49Å; H658-A661 PolarHBondContact O-N 3.12Å; H658-A661 VanDerWaalsContact O-N 3.15Å; H658-V662 WeakPolarHBondContact O-CG2 3.49Å; H658-V662 PolarHBondContact O-N 2.93Å
659	A	94.8	Very high	96.1	Very high	66 Å²	66	55.1 Å²	55.1	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-38.1	176.6	0	0	0	0	0	112.7	E657 V662 D663	E657-A659 VanDerWaalsContact C-N 3.27Å; E657-A659 PolarHBondContact O-N 3.28Å; A659-V662 PolarHBondContact O-N 3.27Å; A659-D663 PolarHBondContact O-N 3.21Å
660	Q	96.1	Very high	95.6	Very high	106 Å²	106	60.7 Å²	60.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-69.8	-35.1	176.4	-61.5	175.9	-53.5	0	0	111.5	M656 E657 H658 D663 Y664	M656-Q660 HydrophobicContact CB-CB 4.02Å; M656-Q660 HydrophobicContact CG-CB 4.14Å; M656-Q660 HydrophobicContact SD-CB 4.06Å; E657-Q660 HydrophobicContact CB-CG 4.36Å; E657-Q660 WeakPolarHBondContact O-CA 3.42Å; E657-Q660 WeakPolarHBondContact O-CB 3.48Å; E657-Q660 PolarHBondContact O-N 3.05Å; H658-Q660 VanDerWaalsContact C-N 3.3Å; H658-Q660 PolarHBondContact O-N 3.02Å; Q660-D663 PolarHBondContact O-N 3.09Å; Q660-Y664 WeakPolarHBondContact O-CB 3.34Å; Q660-Y664 PolarHBondContact O-N 2.68Å
661	A	96.8	Very high	95.4	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66.7	-39.5	174.4	0	0	0	0	0	112.1	Y647 V650 A651 M656 E657 H658 Y664 V665	Y647-A661 WeakPolarHBondContact O-CB 3.31Å; V650-A661 HydrophobicContact CB-CB 4.02Å; V650-A661 HydrophobicContact CG1-CB 3.85Å; A651-A661 HydrophobicContact CB-CB 3.84Å; M656-A661 HydrophobicContact CG-CB 4.16Å; M656-A661 HydrophobicContact SD-CB 4.28Å; E657-A661 PolarHBondContact O-N 3.45Å; H658-A661 WeakPolarHBondContact O-CB 3.49Å; H658-A661 PolarHBondContact O-N 3.12Å; H658-A661 VanDerWaalsContact O-N 3.15Å; A661-Y664 WeakPolarHBondContact O-CB 3.21Å; A661-Y664 PolarHBondContact O-N 2.85Å; A661-V665 WeakPolarHBondContact O-CG2 3.45Å; A661-V665 PolarHBondContact O-N 3.28Å
662	V	95.1	Very high	95.2	Very high	26 Å²	26	67.8 Å²	67.8	16%	0.158	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-51.1	171.2	171.7	0	0	0	0	110.2	Y647 H658 A659 Y664 V665 K666	Y647-V662 HydrophobicContact CD1-CG2 4.1Å; Y647-V662 HydrophobicContact CD2-CG2 3.78Å; Y647-V662 HydrophobicContact CE1-CB 4.29Å; Y647-V662 HydrophobicContact CE1-CG1 4.38Å; Y647-V662 HydrophobicContact CE1-CG2 4.11Å; Y647-V662 HydrophobicContact CE2-CG2 3.79Å; Y647-V662 HydrophobicContact CG-CG2 3.93Å; H658-V662 WeakPolarHBondContact O-CG2 3.49Å; H658-V662 PolarHBondContact O-N 2.93Å; A659-V662 PolarHBondContact O-N 3.27Å; V662-Y664 VanDerWaalsContact C-N 3.29Å; V662-Y664 PolarHBondContact O-N 3.32Å; V662-V665 PolarHBondContact O-N 3.08Å; V662-K666 HydrophobicContact CG1-CD 4.26Å; V662-K666 HydrophobicContact CG1-CG 4.49Å; V662-K666 WeakPolarHBondContact O-CG 3.5Å; V662-K666 PolarHBondContact O-N 2.99Å
663	D	94.3	Very high	95.2	Very high	107 Å²	107	65.5 Å²	65.5	57%	0.572	36%	0.357	S	S	*	.	H	α-helix	trans	-60.5	-37.9	177.6	-72.2	-18.9	0	0	0	112.4	A659 Q660 K666 K667	A659-D663 PolarHBondContact O-N 3.21Å; Q660-D663 PolarHBondContact O-N 3.09Å; D663-K666 PolarHBondContact O-N 3.4Å; D663-K667 VanDerWaalsContact O-CB 3.28Å; D663-K667 WeakPolarHBondContact O-CB 3.35Å; D663-K667 PolarHBondContact O-N 3.29Å
664	Y	97.3	Very high	95.2	Very high	50 Å²	50	63.3 Å²	63.3	20%	0.196	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.1	-174.1	-76.4	0	0	0	111.2	W620 I623 E624 V650 M656 Q660 A661 V662 K667 L668	W620-Y664 HydrophobicContact CH2-CE2 4.22Å; W620-Y664 AromaticContact CH2-CZ 3.99Å; W620-Y664 HydrophobicContact CZ3-CE1 4.13Å; I623-Y664 HydrophobicContact CG2-CE1 4Å; E624-Y664 PolarHBondContact OE1-OH 3.26Å; V650-Y664 HydrophobicContact CG1-CD1 3.87Å; V650-Y664 HydrophobicContact CG1-CD2 4.45Å; V650-Y664 HydrophobicContact CG1-CE1 4.48Å; V650-Y664 HydrophobicContact CG1-CG 3.86Å; V650-Y664 HydrophobicContact CG2-CD1 4.21Å; V650-Y664 HydrophobicContact CG2-CE1 4.5Å; M656-Y664 HydrophobicContact CE-CD2 4.12Å; M656-Y664 HydrophobicContact SD-CD2 4.49Å; Q660-Y664 WeakPolarHBondContact O-CB 3.34Å; Q660-Y664 PolarHBondContact O-N 2.68Å; A661-Y664 WeakPolarHBondContact O-CB 3.21Å; A661-Y664 PolarHBondContact O-N 2.85Å; V662-Y664 VanDerWaalsContact C-N 3.29Å; V662-Y664 PolarHBondContact O-N 3.32Å; Y664-K667 VanDerWaalsContact O-CB 3.32Å; Y664-K667 WeakPolarHBondContact O-CB 3.49Å; Y664-K667 PolarHBondContact O-N 3.4Å; Y664-L668 HydrophobicContact CD1-CD1 4.17Å; Y664-L668 HydrophobicContact CD1-CG 4.19Å; Y664-L668 HydrophobicContact CE1-CD1 3.91Å; Y664-L668 HydrophobicContact CE1-CD2 4.15Å; Y664-L668 HydrophobicContact CE1-CG 4.04Å; Y664-L668 PolarHBondContact O-N 3.21Å
665	V	96.6	Very high	95.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-40.2	179.5	170.9	0	0	0	0	111.3	F646 Y647 V650 A661 V662 K667 L668 M669 Y674	F646-V665 HydrophobicContact CB-CG2 4.43Å; Y647-V665 HydrophobicContact CD1-CB 3.85Å; Y647-V665 HydrophobicContact CD1-CG1 4.2Å; Y647-V665 HydrophobicContact CD1-CG2 3.77Å; Y647-V665 HydrophobicContact CE1-CB 3.64Å; Y647-V665 HydrophobicContact CE1-CG1 3.74Å; Y647-V665 HydrophobicContact CE1-CG2 4.11Å; V650-V665 HydrophobicContact CG2-CG2 4.07Å; A661-V665 WeakPolarHBondContact O-CG2 3.45Å; A661-V665 PolarHBondContact O-N 3.28Å; V662-V665 PolarHBondContact O-N 3.08Å; V665-K667 PolarHBondContact O-N 2.92Å; V665-L668 WeakPolarHBondContact O-CA 3.33Å; V665-L668 VanDerWaalsContact O-CB 3.3Å; V665-L668 WeakPolarHBondContact O-CB 3.44Å; V665-L668 PolarHBondContact O-N 2.81Å; V665-M669 HydrophobicContact CG1-CE 4.38Å; V665-M669 PolarHBondContact O-N 3.37Å; V665-Y674 HydrophobicContact CG1-CD2 3.97Å; V665-Y674 HydrophobicContact CG1-CE2 4.06Å
666	K	92.1	Very high	95.2	Very high	78 Å²	78	60.1 Å²	60.1	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-59.4	-35.9	171	-69.5	-172.5	-174	-153.8	0	112	E182 V662 D663 L668 M669 T670	E182-K666 WeakPolarHBondContact OE1-CE 3.33Å; E182-K666 IonicContact OE1-NZ 2.75Å; E182-K666 PolarHBondContact OE1-NZ 3.37Å; V662-K666 HydrophobicContact CG1-CD 4.26Å; V662-K666 HydrophobicContact CG1-CG 4.49Å; V662-K666 WeakPolarHBondContact O-CG 3.5Å; V662-K666 PolarHBondContact O-N 2.99Å; D663-K666 PolarHBondContact O-N 3.4Å; K666-L668 VanDerWaalsContact C-N 3.31Å; K666-L668 PolarHBondContact O-N 3.43Å; K666-M669 WeakPolarHBondContact O-CB 3.44Å; K666-M669 PolarHBondContact O-N 3.31Å; K666-T670 PolarHBondContact O-N 2.79Å; K666-T670 PolarHBondContact O-OG1 2.91Å
667	K	94.9	Very high	95.1	Very high	121 Å²	121	58.9 Å²	58.9	53%	0.526	30%	0.304	S	S	.	.	H	α-helix	trans	-66.8	-30.3	172.4	-170.1	178.1	-174.2	175.1	0	112.7	D663 Y664 V665 T670 K671	D663-K667 VanDerWaalsContact O-CB 3.28Å; D663-K667 WeakPolarHBondContact O-CB 3.35Å; D663-K667 PolarHBondContact O-N 3.29Å; Y664-K667 VanDerWaalsContact O-CB 3.32Å; Y664-K667 WeakPolarHBondContact O-CB 3.49Å; Y664-K667 PolarHBondContact O-N 3.4Å; V665-K667 PolarHBondContact O-N 2.92Å; K667-T670 WeakPolarHBondContact CA-OG1 3.49Å; K667-T670 PolarHBondContact O-OG1 2.89Å; K667-T670 VanDerWaalsContact O-OG1 3.04Å; K667-K671 HydrophobicContact CG-CD 4.37Å; K667-K671 WeakPolarHBondContact O-CB 3.49Å; K667-K671 VanDerWaalsContact O-CG 3.23Å; K667-K671 WeakPolarHBondContact O-CG 3.49Å; K667-K671 PolarHBondContact O-N 3.32Å
668	L	96.9	Very high	94.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-40.9	170.8	-64.2	178.5	0	0	0	111.3	I623 I629 Y664 V665 K666 K671 G672 R673 Y674	I623-L668 HydrophobicContact CG2-CD1 4.1Å; I629-L668 HydrophobicContact CD1-CD1 4.27Å; Y664-L668 HydrophobicContact CD1-CD1 4.17Å; Y664-L668 HydrophobicContact CD1-CG 4.19Å; Y664-L668 HydrophobicContact CE1-CD1 3.91Å; Y664-L668 HydrophobicContact CE1-CD2 4.15Å; Y664-L668 HydrophobicContact CE1-CG 4.04Å; Y664-L668 PolarHBondContact O-N 3.21Å; V665-L668 WeakPolarHBondContact O-CA 3.33Å; V665-L668 VanDerWaalsContact O-CB 3.3Å; V665-L668 WeakPolarHBondContact O-CB 3.44Å; V665-L668 PolarHBondContact O-N 2.81Å; K666-L668 VanDerWaalsContact C-N 3.31Å; K666-L668 PolarHBondContact O-N 3.43Å; L668-K671 CarbonylContact O-C 3.58Å; L668-K671 PolarHBondContact O-N 3.01Å; L668-G672 PolarHBondContact O-N 2.69Å; L668-R673 HydrophobicContact CB-CB 4.25Å; L668-R673 HydrophobicContact CD2-CB 4.11Å; L668-R673 PolarHBondContact O-N 3.25Å; L668-Y674 PolarHBondContact O-N 2.63Å
669	M	93.1	Very high	94.6	Very high	31 Å²	31	52.8 Å²	52.8	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-53.5	176.8	-65.7	168.6	164.3	0	0	111.3	Q643 V665 K666 K671 G672 Y674 L676	Q643-M669 HydrophobicContact CG-CE 4.42Å; V665-M669 HydrophobicContact CG1-CE 4.38Å; V665-M669 PolarHBondContact O-N 3.37Å; K666-M669 WeakPolarHBondContact O-CB 3.44Å; K666-M669 PolarHBondContact O-N 3.31Å; M669-K671 PolarHBondContact O-N 2.93Å; M669-K671 VanDerWaalsContact O-N 3.14Å; M669-G672 PolarHBondContact O-N 3.25Å; M669-Y674 WeakPolarHBondContact CA-O 3.29Å; M669-Y674 HydrophobicContact CE-CD1 3.53Å; M669-Y674 HydrophobicContact CE-CE1 3.51Å; M669-Y674 HydrophobicContact CE-CG 4.24Å; M669-Y674 HydrophobicContact CG-CD1 3.81Å; M669-Y674 HydrophobicContact CG-CG 3.98Å; M669-L676 HydrophobicContact CE-CD1 4.49Å
670	T	89	Confident	94	Very high	116 Å²	116	56.4 Å²	56.4	71%	0.712	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-26.3	177.1	52.5	0	0	0	0	113.7	K666 K667 G672	K666-T670 PolarHBondContact O-N 2.79Å; K666-T670 PolarHBondContact O-OG1 2.91Å; K667-T670 WeakPolarHBondContact CA-OG1 3.49Å; K667-T670 PolarHBondContact O-OG1 2.89Å; K667-T670 VanDerWaalsContact O-OG1 3.04Å; T670-G672 VanDerWaalsContact C-N 3.34Å
671	K	93.7	Very high	93.9	Very high	133 Å²	133	54 Å²	54	58%	0.578	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	3	174.5	-73.2	-177.8	174.5	-167.2	0	114.1	K667 L668 M669 R673	K667-K671 HydrophobicContact CG-CD 4.37Å; K667-K671 WeakPolarHBondContact O-CB 3.49Å; K667-K671 VanDerWaalsContact O-CG 3.23Å; K667-K671 WeakPolarHBondContact O-CG 3.49Å; K667-K671 PolarHBondContact O-N 3.32Å; L668-K671 CarbonylContact O-C 3.58Å; L668-K671 PolarHBondContact O-N 3.01Å; M669-K671 PolarHBondContact O-N 2.93Å; M669-K671 VanDerWaalsContact O-N 3.14Å; K671-R673 HydrophobicContact CB-CG 4.42Å; K671-R673 PolarHBondContact O-N 2.76Å
672	G	93.2	Very high	93.7	Very high	36 Å²	36	56.8 Å²	56.8	37%	0.371	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	23.7	-176.9	0	0	0	0	0	113.9	H628 L668 M669 T670	H628-G672 PolarHBondContact CE1-O 3.15Å; H628-G672 VanDerWaalsContact CE1-O 3.27Å; H628-G672 PolarHBondContact ND1-O 3.46Å; H628-G672 VanDerWaalsContact ND1-O 3.13Å; L668-G672 PolarHBondContact O-N 2.69Å; M669-G672 PolarHBondContact O-N 3.25Å; T670-G672 VanDerWaalsContact C-N 3.34Å
673	R	97.8	Very high	93.6	Very high	45 Å²	45	58.5 Å²	58.5	17%	0.17	31%	0.308	C	S	.	.	S	Bend	trans	-103.6	-6.6	178.6	-69.4	-174	58.3	-148.7	-15.4	113.2	I623 G626 A627 H628 I629 L668 K671	I623-R673 PolarHBondContact O-NH2 3.33Å; G626-R673 VanDerWaalsContact CA-CZ 3.49Å; G626-R673 PolarHBondContact O-NE 2.9Å; A627-R673 PolarHBondContact O-NE 3.21Å; A627-R673 VanDerWaalsContact O-NE 3.14Å; A627-R673 PolarHBondContact O-NH2 3.36Å; H628-R673 CarbonylContact C-O 3.59Å; H628-R673 WeakPolarHBondContact CA-O 3.36Å; I629-R673 PolarHBondContact N-O 3.02Å; L668-R673 HydrophobicContact CB-CB 4.25Å; L668-R673 HydrophobicContact CD2-CB 4.11Å; L668-R673 PolarHBondContact O-N 3.25Å; K671-R673 HydrophobicContact CB-CG 4.42Å; K671-R673 PolarHBondContact O-N 2.76Å
674	Y	97.9	Very high	93.6	Very high	6 Å²	6	55.6 Å²	55.6	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.3	168.3	-170.4	-64.7	0	0	0	106.5	I629 V631 F646 V665 L668 M669 L676	I629-Y674 HydrophobicContact CB-CD2 3.86Å; I629-Y674 HydrophobicContact CB-CE2 4.37Å; I629-Y674 HydrophobicContact CB-CG 4.27Å; I629-Y674 HydrophobicContact CD1-CD2 3.81Å; I629-Y674 HydrophobicContact CD1-CE2 4.29Å; I629-Y674 HydrophobicContact CG1-CD2 4.45Å; I629-Y674 HydrophobicContact CG2-CD2 3.74Å; I629-Y674 HydrophobicContact CG2-CE2 3.74Å; I629-Y674 HydrophobicContact CG2-CG 4.33Å; I629-Y674 CarbonylContact O-C 3.57Å; I629-Y674 WeakPolarHBondContact O-CA 3.13Å; V631-Y674 HydrophobicContact CG2-CE1 4.12Å; F646-Y674 AromaticContact CD2-CE2 3.71Å; F646-Y674 HydrophobicContact CD2-CE2 3.71Å; F646-Y674 HydrophobicContact CE2-CE2 4.19Å; F646-Y674 HydrophobicContact CG-CE2 4.24Å; V665-Y674 HydrophobicContact CG1-CD2 3.97Å; V665-Y674 HydrophobicContact CG1-CE2 4.06Å; L668-Y674 PolarHBondContact O-N 2.63Å; M669-Y674 WeakPolarHBondContact CA-O 3.29Å; M669-Y674 HydrophobicContact CE-CD1 3.53Å; M669-Y674 HydrophobicContact CE-CE1 3.51Å; M669-Y674 HydrophobicContact CE-CG 4.24Å; M669-Y674 HydrophobicContact CG-CD1 3.81Å; M669-Y674 HydrophobicContact CG-CG 3.98Å; Y674-L676 HydrophobicContact CD1-CD2 4.37Å; Y674-L676 HydrophobicContact CD1-CG 4.5Å; Y674-L676 HydrophobicContact CE1-CD2 3.63Å; Y674-L676 HydrophobicContact CE1-CG 4.16Å
675	S	96.3	Very high	93.4	Very high	20 Å²	20	56 Å²	56	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.9	-174.6	-58.6	0	0	0	0	110.9	F521 I629 Y630 V631	F521-S675 WeakPolarHBondContact CE2-O 3.38Å; I629-S675 PolarHBondContact O-N 2.77Å; Y630-S675 WeakPolarHBondContact CA-O 3.38Å; V631-S675 PolarHBondContact N-O 3.22Å
676	L	94.4	Very high	93.2	Very high	33 Å²	33	59.7 Å²	59.7	17%	0.173	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140	179.3	-62.3	175.2	0	0	0	110.2	E145 V631 M669 Y674 V678	E145-L676 WeakPolarHBondContact OE1-CB 3.5Å; V631-L676 HydrophobicContact CB-CD2 3.7Å; V631-L676 HydrophobicContact CG1-CD2 4.41Å; V631-L676 HydrophobicContact CG2-CD2 4.26Å; V631-L676 WeakPolarHBondContact O-CA 3.26Å; M669-L676 HydrophobicContact CE-CD1 4.49Å; Y674-L676 HydrophobicContact CD1-CD2 4.37Å; Y674-L676 HydrophobicContact CD1-CG 4.5Å; Y674-L676 HydrophobicContact CE1-CD2 3.63Å; Y674-L676 HydrophobicContact CE1-CG 4.16Å; L676-V678 HydrophobicContact CB-CG1 4.47Å; L676-V678 HydrophobicContact CB-CG2 4.45Å; L676-V678 HydrophobicContact CD2-CG1 4.42Å
677	D	94.3	Very high	93.2	Very high	16 Å²	16	58.4 Å²	58.4	9%	0.086	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	75.2	166.3	180	30	0	0	0	107.8	H322 S460 F521 V631 C632 G633 W679	H322-D677 IonicContact CD2-OD1 3.74Å; H322-D677 IonicContact CE1-OD1 3.77Å; H322-D677 IonicContact NE2-OD1 3.62Å; H322-D677 PolarHBondContact NE2-OD1 3.18Å; H322-D677 IonicContact NE2-OD2 3.11Å; S460-D677 VanDerWaalsContact CB-OD2 3.29Å; S460-D677 WeakPolarHBondContact CB-OD2 3.46Å; S460-D677 PolarHBondContact OG-OD2 3.01Å; F521-D677 HydrophobicContact CD1-CB 4.32Å; F521-D677 HydrophobicContact CD2-CB 3.71Å; F521-D677 HydrophobicContact CE1-CB 4.29Å; F521-D677 HydrophobicContact CE2-CB 3.67Å; F521-D677 HydrophobicContact CG-CB 4.01Å; F521-D677 HydrophobicContact CZ-CB 3.94Å; V631-D677 PolarHBondContact O-N 3.42Å; C632-D677 WeakPolarHBondContact CA-O 3.14Å; C632-D677 HydrophobicContact CB-CB 4.32Å; C632-D677 PolarHBondContact SG-O 2.87Å; G633-D677 PolarHBondContact N-O 2.91Å; D677-W679 VanDerWaalsContact O-CZ3 3.26Å; D677-W679 WeakPolarHBondContact O-CZ3 3.32Å
678	V	91.8	Very high	93.1	Very high	22 Å²	22	53.5 Å²	53.5	13%	0.133	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.8	-168.8	-61.1	0	0	0	0	111.5	Y181 G633 A635 A639 L676	Y181-V678 HydrophobicContact CE1-CG2 4.46Å; G633-V678 CarbonylContact O-C 3.53Å; G633-V678 VanDerWaalsContact O-CA 3.23Å; G633-V678 WeakPolarHBondContact O-CA 3.42Å; G633-V678 WeakPolarHBondContact O-CB 3.33Å; A635-V678 HydrophobicContact CB-CB 3.75Å; A635-V678 HydrophobicContact CB-CG2 3.68Å; A639-V678 HydrophobicContact CB-CG1 3.98Å; L676-V678 HydrophobicContact CB-CG1 4.47Å; L676-V678 HydrophobicContact CB-CG2 4.45Å; L676-V678 HydrophobicContact CD2-CG1 4.42Å
679	W	89.6	Confident	92.8	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.337	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	172.4	-177.8	63.1	88.6	0	0	0	111.7	C632 G633 A635 D677	C632-W679 WeakPolarHBondContact SG-CZ3 3.28Å; G633-W679 PolarHBondContact O-N 3.33Å; A635-W679 PolarHBondContact N-O 3.49Å; D677-W679 VanDerWaalsContact O-CZ3 3.26Å; D677-W679 WeakPolarHBondContact O-CZ3 3.32Å
680	S	82.4	Confident	92.8	Very high	142 Å²	142	59.8 Å²	59.8	99%	0.993	34%	0.338	S	S	*	.			trans	-139.4	0	179	60.9	0	0	0	0	112.8

Retrieved 680 of 680 residues in 5792.1 ms (Link to these results)

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