A0A093JJM8_STRCA Loading...

Leucine-rich repeat transmembrane protein FLRT2

AlphaFold DB , UniProt , Accession A0A093JJM8, Species STRCA (Struthio camelus australis), Gene n/a, Length 662 aa.

Structure Viewer

Loading PAE data...

(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	36	Very low	40	Very low	252 Å²	252	160.8 Å²	160.8	100%	1.241	82%	0.819	S	S	*	*				0	132.1	0	-64	160.4	165.8	0	0	107
2	G	35.6	Very low	41	Very low	76 Å²	76	165.7 Å²	165.7	78%	0.784	82%	0.82	S	S	*	*			cis	-161.1	160	-7.1	0	0	0	0	0	109.2
3	S	38.1	Very low	42.2	Very low	98 Å²	98	160.6 Å²	160.6	69%	0.685	80%	0.804	S	S	*	*			trans	-69.6	159	179.2	-167.1	0	0	0	0	112.1
4	W	34.5	Very low	43.4	Very low	237 Å²	237	155.5 Å²	155.5	90%	0.898	79%	0.785	S	S	*	*				169.9	99.9	113.7	-91.5	104.5	0	0	0	110.9
5	T	41.2	Very low	44.3	Very low	126 Å²	126	151.9 Å²	151.9	77%	0.773	77%	0.769	S	S	*	*			trans	-70	142	162.1	41.1	0	0	0	0	109.8
6	R	38.3	Very low	45.2	Very low	243 Å²	243	150.3 Å²	150.3	92%	0.917	76%	0.759	S	S	*	*			trans	-122	106.7	178.9	-151.6	173.9	-167.5	179.5	3.6	110.6
7	M	35.7	Very low	46	Very low	175 Å²	175	150.2 Å²	150.2	86%	0.862	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-67.1	148.4	-178.5	-66.6	155.3	61.1	0	0	111.7
8	W	36.8	Very low	46.9	Very low	241 Å²	241	145.7 Å²	145.7	91%	0.913	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-76.4	139.5	164.3	-73.3	3.4	0	0	0	110.1
9	P	43.3	Very low	47.7	Very low	112 Å²	112	148.3 Å²	148.3	73%	0.727	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-75.4	127.1	179.7	-13	28.9	0	0	0	112.1	D11	P9-D11 PolarHBondContact O-N 3.41Å
10	T	47.7	Very low	48.5	Very low	120 Å²	120	146 Å²	146	74%	0.736	73%	0.727	S	S	*	*			trans	-87.6	18.1	178.4	44	0	0	0	0	113.6	T13	T10-T13 PolarHBondContact O-OG1 3.39Å
11	D	53.4	Low	49.3	Very low	89 Å²	89	145 Å²	145	48%	0.476	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-16.2	-163.7	-69.1	-61.6	0	0	0	116.6	P9 T13 V14 L15	P9-D11 PolarHBondContact O-N 3.41Å; D11-T13 PolarHBondContact O-N 3.04Å; D11-V14 WeakPolarHBondContact O-CB 3.45Å; D11-V14 PolarHBondContact O-N 3.3Å; D11-L15 PolarHBondContact O-N 3.33Å
12	W	51.7	Low	50.6	Low	219 Å²	219	140 Å²	140	83%	0.83	70%	0.695	S	S	*	*	H	α-helix	trans	-60.3	-33.7	-178.2	-109.3	30.2	0	0	0	113	M16	W12-M16 WeakPolarHBondContact O-CB 3.41Å; W12-M16 WeakPolarHBondContact O-CG 3.43Å; W12-M16 PolarHBondContact O-N 3.47Å
13	T	56.3	Low	51.6	Low	100 Å²	100	139.2 Å²	139.2	61%	0.613	68%	0.677	S	S	*	*	H	α-helix	trans	-72.8	-29.2	175.9	61.1	0	0	0	0	112.7	T10 D11 K17	T10-T13 PolarHBondContact O-OG1 3.39Å; D11-T13 PolarHBondContact O-N 3.04Å; T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 WeakPolarHBondContact O-CG 3.39Å; T13-K17 PolarHBondContact O-N 3.12Å
14	V	59.2	Low	52.6	Low	89 Å²	89	139.6 Å²	139.6	54%	0.539	67%	0.671	S	S	.	*	H	α-helix	trans	-74.8	-46.1	176.7	-176.1	0	0	0	0	110.1	D11 K17 S18	D11-V14 WeakPolarHBondContact O-CB 3.45Å; D11-V14 PolarHBondContact O-N 3.3Å; V14-K17 PolarHBondContact O-N 3.43Å; V14-S18 WeakPolarHBondContact O-CB 3.48Å; V14-S18 PolarHBondContact O-N 3.47Å
15	L	57.3	Low	53.6	Low	102 Å²	102	129.9 Å²	129.9	53%	0.534	64%	0.644	S	S	.	*	H	α-helix	trans	-61.2	-45.7	175.3	-78.8	165.5	0	0	0	112.1	D11 S18 W19	D11-L15 PolarHBondContact O-N 3.33Å; L15-S18 PolarHBondContact O-N 3.47Å; L15-W19 PolarHBondContact O-N 3.41Å
16	M	58	Low	54.2	Low	126 Å²	126	128.2 Å²	128.2	62%	0.621	63%	0.63	S	S	*	*	H	α-helix	trans	-64.7	-40.1	176.4	-74.8	-67.7	-76.1	0	0	112.4	W12 W19 L20	W12-M16 WeakPolarHBondContact O-CB 3.41Å; W12-M16 WeakPolarHBondContact O-CG 3.43Å; W12-M16 PolarHBondContact O-N 3.47Å; M16-W19 PolarHBondContact O-N 3.23Å; M16-L20 WeakPolarHBondContact O-CB 3.33Å; M16-L20 PolarHBondContact O-N 3.44Å
17	K	60	Low	54.7	Low	149 Å²	149	124.2 Å²	124.2	65%	0.648	62%	0.616	S	S	*	*	H	α-helix	trans	-63.7	-41.6	172.3	-85.1	-175.9	173.5	-177.9	0	112.4	T13 V14 L20 I21	T13-K17 WeakPolarHBondContact O-CB 3.44Å; T13-K17 WeakPolarHBondContact O-CG 3.39Å; T13-K17 PolarHBondContact O-N 3.12Å; V14-K17 PolarHBondContact O-N 3.43Å; K17-L20 PolarHBondContact O-N 3.46Å; K17-I21 WeakPolarHBondContact O-CB 3.44Å; K17-I21 VanDerWaalsContact O-CG1 3.27Å; K17-I21 WeakPolarHBondContact O-CG1 3.45Å; K17-I21 PolarHBondContact O-N 3.38Å
18	S	61.9	Low	55.1	Low	68 Å²	68	122 Å²	122	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-62	-46.3	177.2	-169.4	0	0	0	0	110.9	V14 L15 L20 I21 F22	V14-S18 WeakPolarHBondContact O-CB 3.48Å; V14-S18 PolarHBondContact O-N 3.47Å; L15-S18 PolarHBondContact O-N 3.47Å; S18-L20 PolarHBondContact O-N 3.06Å; S18-I21 PolarHBondContact O-N 3.39Å; S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.35Å
19	W	62.5	Low	55.4	Low	196 Å²	196	117.8 Å²	117.8	74%	0.742	60%	0.596	S	S	*	*	H	α-helix	trans	-63.9	-37.1	173.2	-97.1	76	0	0	0	113.4	L15 M16 F22 S23	L15-W19 PolarHBondContact O-N 3.41Å; M16-W19 PolarHBondContact O-N 3.23Å; W19-F22 PolarHBondContact O-N 3.25Å; W19-S23 VanDerWaalsContact O-CB 3.25Å; W19-S23 WeakPolarHBondContact O-CB 3.33Å; W19-S23 PolarHBondContact O-N 3.01Å; W19-S23 PolarHBondContact O-OG 3.46Å
20	L	63.3	Low	55.3	Low	102 Å²	102	118 Å²	118	53%	0.534	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-39.6	174.1	-112.1	139.7	0	0	0	112.4	M16 K17 S18 S23 L24	M16-L20 WeakPolarHBondContact O-CB 3.33Å; M16-L20 PolarHBondContact O-N 3.44Å; K17-L20 PolarHBondContact O-N 3.46Å; S18-L20 PolarHBondContact O-N 3.06Å; L20-S23 WeakPolarHBondContact CA-OG 3.4Å; L20-S23 PolarHBondContact O-OG 3.01Å; L20-L24 HydrophobicContact CD2-CD1 4.28Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 2.98Å
21	I	65.8	Low	55.1	Low	124 Å²	124	114.3 Å²	114.3	64%	0.636	57%	0.574	S	S	*	*	H	α-helix	trans	-70.6	-40.3	175.4	-67.8	163.4	0	0	0	110.7	K17 S18 G25	K17-I21 WeakPolarHBondContact O-CB 3.44Å; K17-I21 VanDerWaalsContact O-CG1 3.27Å; K17-I21 WeakPolarHBondContact O-CG1 3.45Å; K17-I21 PolarHBondContact O-N 3.38Å; S18-I21 PolarHBondContact O-N 3.39Å; I21-G25 PolarHBondContact O-N 3.09Å
22	F	61.7	Low	54.6	Low	149 Å²	149	118.2 Å²	118.2	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-70.6	-36	178.7	-150.8	-86.3	0	0	0	111.8	S18 W19 G25 L26	S18-F22 WeakPolarHBondContact O-CB 3.46Å; S18-F22 PolarHBondContact O-N 3.35Å; W19-F22 PolarHBondContact O-N 3.25Å; F22-G25 PolarHBondContact O-N 3.44Å; F22-L26 HydrophobicContact CE1-CD1 4.23Å; F22-L26 WeakPolarHBondContact O-CB 3.16Å; F22-L26 PolarHBondContact O-N 3.01Å
23	S	58.3	Low	54.4	Low	59 Å²	59	113 Å²	113	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-76.6	-33.5	173.7	56.7	0	0	0	0	113.2	W19 L20 G25 Y27	W19-S23 VanDerWaalsContact O-CB 3.25Å; W19-S23 WeakPolarHBondContact O-CB 3.33Å; W19-S23 PolarHBondContact O-N 3.01Å; W19-S23 PolarHBondContact O-OG 3.46Å; L20-S23 WeakPolarHBondContact CA-OG 3.4Å; L20-S23 PolarHBondContact O-OG 3.01Å; S23-G25 VanDerWaalsContact C-N 3.33Å; S23-Y27 WeakPolarHBondContact O-CB 3.25Å; S23-Y27 PolarHBondContact O-N 3.44Å
24	L	58	Low	54.4	Low	106 Å²	106	114.2 Å²	114.2	56%	0.555	58%	0.581	S	S	*	*	H	α-helix	trans	-63.4	-40.8	164.6	-108.1	69.7	0	0	0	111	L20 Y27 M28	L20-L24 HydrophobicContact CD2-CD1 4.28Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 2.98Å; L24-Y27 PolarHBondContact O-N 3.05Å; L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 WeakPolarHBondContact O-CG 3.46Å; L24-M28 PolarHBondContact O-N 3.46Å
25	G	56.2	Low	55	Low	32 Å²	32	113.1 Å²	113.1	33%	0.33	58%	0.582	S	S	.	*	H	α-helix	trans	-60.6	-47.9	175.6	0	0	0	0	0	111.8	I21 F22 S23 M28 Q29	I21-G25 PolarHBondContact O-N 3.09Å; F22-G25 PolarHBondContact O-N 3.44Å; S23-G25 VanDerWaalsContact C-N 3.33Å; G25-M28 PolarHBondContact O-N 3.48Å; G25-Q29 WeakPolarHBondContact O-CB 3.43Å; G25-Q29 WeakPolarHBondContact O-CG 3.38Å; G25-Q29 PolarHBondContact O-N 2.98Å
26	L	52.7	Low	56.5	Low	92 Å²	92	110.2 Å²	110.2	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-63.1	-41.7	173.6	-132.2	75.4	0	0	0	111.4	F22 M28 Q29 V30	F22-L26 HydrophobicContact CE1-CD1 4.23Å; F22-L26 WeakPolarHBondContact O-CB 3.16Å; F22-L26 PolarHBondContact O-N 3.01Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 3.14Å; L26-Q29 PolarHBondContact O-N 3.24Å; L26-V30 VanDerWaalsContact O-CB 3.25Å; L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.22Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.02Å
27	Y	49.3	Very low	58.1	Low	159 Å²	159	104.7 Å²	104.7	62%	0.624	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-36.2	177.8	-164.4	-94.5	0	0	0	111.8	S23 L24 S31	S23-Y27 WeakPolarHBondContact O-CB 3.25Å; S23-Y27 PolarHBondContact O-N 3.44Å; L24-Y27 PolarHBondContact O-N 3.05Å; Y27-S31 WeakPolarHBondContact O-CA 3.33Å; Y27-S31 WeakPolarHBondContact O-CB 3.33Å; Y27-S31 PolarHBondContact O-N 3.43Å; Y27-S31 PolarHBondContact O-OG 3.31Å
28	M	43	Very low	59.5	Low	127 Å²	127	108 Å²	108	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-72.7	-29.3	173.3	-70.5	-70.1	99.6	0	0	113	L24 G25 L26	L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 WeakPolarHBondContact O-CG 3.46Å; L24-M28 PolarHBondContact O-N 3.46Å; G25-M28 PolarHBondContact O-N 3.48Å; L26-M28 VanDerWaalsContact C-N 3.34Å; L26-M28 PolarHBondContact O-N 3.14Å
29	Q	43	Very low	61	Low	154 Å²	154	108.4 Å²	108.4	72%	0.72	56%	0.557	S	S	*	*	H	α-helix	trans	-80.8	-33.6	173.9	-73.6	-179.1	-11.8	0	0	112.9	G25 L26	G25-Q29 WeakPolarHBondContact O-CB 3.43Å; G25-Q29 WeakPolarHBondContact O-CG 3.38Å; G25-Q29 PolarHBondContact O-N 2.98Å; L26-Q29 PolarHBondContact O-N 3.24Å
30	V	42	Very low	62.6	Low	115 Å²	115	99.9 Å²	99.9	70%	0.697	53%	0.526	S	S	*	.	H	α-helix	trans	-84.7	-21.4	178.4	174.8	0	0	0	0	112	L26	L26-V30 VanDerWaalsContact O-CB 3.25Å; L26-V30 WeakPolarHBondContact O-CB 3.38Å; L26-V30 VanDerWaalsContact O-CG2 3.22Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.02Å
31	S	43.2	Very low	64.1	Low	43 Å²	43	101.9 Å²	101.9	30%	0.301	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	25.2	177.2	-52.6	0	0	0	0	114.8	Y27 T33	Y27-S31 WeakPolarHBondContact O-CA 3.33Å; Y27-S31 WeakPolarHBondContact O-CB 3.33Å; Y27-S31 PolarHBondContact O-N 3.43Å; Y27-S31 PolarHBondContact O-OG 3.31Å; S31-T33 PolarHBondContact O-N 3.03Å
32	K	43.6	Very low	65.4	Low	171 Å²	171	97.3 Å²	97.3	74%	0.743	51%	0.506	S	S	*	.			trans	-71.3	65.1	151.5	-89.2	-159.9	172.3	-166	0	109.1
33	T	47.3	Very low	66.8	Low	109 Å²	109	93 Å²	93	67%	0.669	49%	0.489	S	S	*	.			trans	-56.5	143	167	50.5	0	0	0	0	108.7	S31 A35	S31-T33 PolarHBondContact O-N 3.03Å; T33-A35 PolarHBondContact O-N 3.5Å
34	L	57.2	Low	68.2	Low	127 Å²	127	100 Å²	100	67%	0.665	51%	0.507	S	S	*	.			trans	-53.9	105.8	173.4	-95.6	65.1	0	0	0	108.4	C36	L34-C36 PolarHBondContact O-N 2.99Å
35	A	71.3	Confident	69.8	Low	66 Å²	66	98.8 Å²	98.8	55%	0.545	50%	0.501	S	S	.	.			trans	-77.1	61.9	-174.5	0	0	0	0	0	110.1	T33	T33-A35 PolarHBondContact O-N 3.5Å
36	C	88.3	Confident	71.7	Confident	40 Å²	40	100.7 Å²	100.7	27%	0.27	50%	0.5	S	S	.	.			trans	-69.7	137.6	177.3	-168	0	0	0	0	110.1	L34 K38 C42	L34-C36 PolarHBondContact O-N 2.99Å; C36-K38 PolarHBondContact O-N 3.05Å; C36-C42 VanDerWaalsContact CA-SG 3.52Å; C36-C42 HydrophobicContact CB-CB 3.77Å; C36-C42 WeakPolarHBondContact CB-SG 3.34Å; C36-C42 WeakPolarHBondContact SG-CB 3.47Å; C36-C42 PolarHBondContact SG-N 3.06Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 2.76Å
37	P	91.7	Very high	73.8	Confident	11 Å²	11	96.3 Å²	96.3	7%	0.071	48%	0.477	C	S	.	.			trans	-60	130.4	174.1	-19.3	29.7	0	0	0	110.4	V39 C40 P58 G60 I61	P37-V39 HydrophobicContact CB-CG2 4.4Å; P37-V39 PolarHBondContact O-N 3.16Å; P37-C40 HydrophobicContact CB-CB 4.42Å; P37-C40 PolarHBondContact O-N 3.23Å; P37-P58 HydrophobicContact CB-CB 3.87Å; P37-P58 HydrophobicContact CB-CG 4Å; P37-P58 HydrophobicContact CG-CB 4.31Å; P37-P58 HydrophobicContact CG-CG 4.11Å; P37-G60 WeakPolarHBondContact CD-O 3.34Å; P37-G60 WeakPolarHBondContact CG-O 3.3Å; P37-I61 HydrophobicContact CG-CD1 4.01Å
38	K	90.3	Very high	76.1	Confident	218 Å²	218	92.3 Å²	92.3	95%	0.948	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24	-175	-63.2	-177	-178	176.9	0	114.3	C36	C36-K38 PolarHBondContact O-N 3.05Å
39	V	93.6	Very high	78.7	Confident	77 Å²	77	86.2 Å²	86.2	47%	0.467	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.2	178.6	-63.8	0	0	0	0	113.6	P37 R52 L54 P58	P37-V39 HydrophobicContact CB-CG2 4.4Å; P37-V39 PolarHBondContact O-N 3.16Å; V39-R52 WeakPolarHBondContact O-CD 3.42Å; V39-R52 PolarHBondContact O-NH1 3.48Å; V39-L54 HydrophobicContact CB-CD2 4.25Å; V39-L54 HydrophobicContact CG2-CD2 3.99Å; V39-P58 HydrophobicContact CG2-CB 3.84Å; V39-P58 HydrophobicContact CG2-CG 4.15Å
40	C	95.1	Very high	81.3	Confident	16 Å²	16	80.2 Å²	80.2	11%	0.108	40%	0.404	C	S	.	.	S	Bend	trans	-115.4	176.2	-177.2	-57.6	0	0	0	0	112.4	P37 Y48 C49	P37-C40 HydrophobicContact CB-CB 4.42Å; P37-C40 PolarHBondContact O-N 3.23Å; C40-Y48 WeakPolarHBondContact CB-O 3.47Å; C40-C49 HydrophobicContact CB-CB 4.1Å; C40-C49 WeakPolarHBondContact CB-SG 3.47Å; C40-C49 WeakPolarHBondContact SG-CA 3.05Å; C40-C49 WeakPolarHBondContact SG-CB 3.34Å; C40-C49 CovalentContact SG-SG 2.03Å; C40-C49 PolarHBondContact SG-SG 2.7Å
41	R	94.2	Very high	83.9	Confident	145 Å²	145	80.8 Å²	80.8	55%	0.547	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138	164.4	170.6	178.9	168.4	-176.9	-4.8	109.2	D43 Y48	R41-D43 IonicContact CZ-OD2 3.62Å; R41-D43 IonicContact NE-OD2 3.72Å; R41-D43 IonicContact NH2-OD2 2.71Å; R41-D43 PolarHBondContact NH2-OD2 3.22Å; R41-Y48 PolarHBondContact N-O 3.46Å; R41-Y48 WeakPolarHBondContact O-CA 3.43Å; R41-Y48 WeakPolarHBondContact O-CB 3.38Å; R41-Y48 PolarHBondContact O-N 2.92Å
42	C	92.9	Very high	86.5	Confident	28 Å²	28	83.6 Å²	83.6	19%	0.189	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.6	171.8	-52	0	0	0	0	109	C36 F46 V47	C36-C42 VanDerWaalsContact CA-SG 3.52Å; C36-C42 HydrophobicContact CB-CB 3.77Å; C36-C42 WeakPolarHBondContact CB-SG 3.34Å; C36-C42 WeakPolarHBondContact SG-CB 3.47Å; C36-C42 PolarHBondContact SG-N 3.06Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 2.76Å; C42-F46 WeakPolarHBondContact CA-O 3.01Å; C42-V47 HydrophobicContact CB-CG2 4.39Å
43	D	91.6	Very high	89	Confident	57 Å²	57	79.2 Å²	79.2	31%	0.305	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	112	179.6	-154.7	-40.2	0	0	0	108.9	R41 N45 F46 Y48	R41-D43 IonicContact CZ-OD2 3.62Å; R41-D43 IonicContact NE-OD2 3.72Å; R41-D43 IonicContact NH2-OD2 2.71Å; R41-D43 PolarHBondContact NH2-OD2 3.22Å; D43-N45 PolarHBondContact O-N 3.41Å; D43-F46 PolarHBondContact N-O 3.36Å; D43-F46 WeakPolarHBondContact O-CB 3.25Å; D43-F46 PolarHBondContact O-N 2.87Å; D43-Y48 HydrophobicContact CB-CE2 4.03Å
44	R	88.4	Confident	91.4	Very high	208 Å²	208	75 Å²	75	79%	0.785	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-109.7	-172	-53.2	171.5	-170	-168.6	-1.7	111.1
45	N	92	Very high	93.3	Very high	79 Å²	79	72.7 Å²	72.7	42%	0.422	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	12	-176.7	-54.4	25.4	0	0	0	112.3	D43 V65 T66 V67	D43-N45 PolarHBondContact O-N 3.41Å; N45-V65 CarbonylContact O-C 3.27Å; N45-V65 WeakPolarHBondContact O-CA 3.22Å; N45-V65 WeakPolarHBondContact O-CG1 3.48Å; N45-T66 HydrophobicContact CB-CG2 4.21Å; N45-T66 WeakPolarHBondContact CB-OG1 3.27Å; N45-T66 PolarHBondContact O-N 3.34Å; N45-T66 PolarHBondContact O-OG1 3.07Å; N45-V67 PolarHBondContact O-N 3.48Å
46	F	95.6	Very high	94.6	Very high	73 Å²	73	72.3 Å²	72.3	32%	0.32	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	-176.7	-57.8	-89.9	0	0	0	110.7	C42 D43 Y48 V67 Y69	C42-F46 WeakPolarHBondContact CA-O 3.01Å; D43-F46 PolarHBondContact N-O 3.36Å; D43-F46 WeakPolarHBondContact O-CB 3.25Å; D43-F46 PolarHBondContact O-N 2.87Å; F46-Y48 HydrophobicContact CB-CD2 4.45Å; F46-Y48 HydrophobicContact CB-CE2 3.62Å; F46-V67 HydrophobicContact CD1-CB 3.75Å; F46-V67 HydrophobicContact CD1-CG1 4.32Å; F46-V67 HydrophobicContact CD1-CG2 4.14Å; F46-V67 HydrophobicContact CE1-CB 4.04Å; F46-V67 HydrophobicContact CE1-CG2 3.9Å; F46-Y69 HydrophobicContact CB-CE2 4.34Å; F46-Y69 AromaticContact CD1-CE2 3.94Å; F46-Y69 HydrophobicContact CD1-CE2 3.94Å
47	V	95.8	Very high	95	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.5	175	176.4	0	0	0	0	110	C42 C49 I61 V65 V67 L68 Y69	C42-V47 HydrophobicContact CB-CG2 4.39Å; V47-C49 VanDerWaalsContact CG1-SG 3.57Å; V47-I61 HydrophobicContact CG1-CD1 4.44Å; V47-V65 HydrophobicContact CB-CG1 4.27Å; V47-V65 HydrophobicContact CG2-CB 4.19Å; V47-V65 HydrophobicContact CG2-CG1 3.61Å; V47-V65 HydrophobicContact CG2-CG2 3.45Å; V47-V65 VanDerWaalsContact CG2-CG2 3.45Å; V47-V67 PolarHBondContact N-O 2.78Å; V47-V67 VanDerWaalsContact N-O 3.14Å; V47-L68 HydrophobicContact CB-CD1 3.73Å; V47-L68 HydrophobicContact CG1-CD1 3.7Å; V47-Y69 WeakPolarHBondContact O-CD2 3.03Å; V47-Y69 PolarHBondContact O-N 3.04Å
48	Y	97.3	Very high	95.1	Very high	74 Å²	74	70.9 Å²	70.9	29%	0.29	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	87.5	-178.7	-59.3	-84.3	0	0	0	109.9	C40 R41 D43 F46 R52 Y69	C40-Y48 WeakPolarHBondContact CB-O 3.47Å; R41-Y48 PolarHBondContact N-O 3.46Å; R41-Y48 WeakPolarHBondContact O-CA 3.43Å; R41-Y48 WeakPolarHBondContact O-CB 3.38Å; R41-Y48 PolarHBondContact O-N 2.92Å; D43-Y48 HydrophobicContact CB-CE2 4.03Å; F46-Y48 HydrophobicContact CB-CD2 4.45Å; F46-Y48 HydrophobicContact CB-CE2 3.62Å; Y48-R52 PolarHBondContact O-NE 3.01Å; Y48-R52 VanDerWaalsContact O-NE 3.16Å; Y48-R52 PolarHBondContact O-NH2 2.81Å; Y48-Y69 AromaticContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CE2 4.04Å; Y48-Y69 HydrophobicContact CD1-CG 4.23Å; Y48-Y69 AromaticContact CE1-CD2 3.54Å; Y48-Y69 HydrophobicContact CE1-CD2 3.54Å; Y48-Y69 AromaticContact CE1-CE2 3.47Å; Y48-Y69 HydrophobicContact CE1-CE2 3.47Å; Y48-Y69 VanDerWaalsContact CE1-CE2 3.47Å; Y48-Y69 HydrophobicContact CE1-CG 4.4Å; Y48-Y69 HydrophobicContact CG-CD2 4.31Å; Y48-Y69 AromaticContact CZ-CE2 3.91Å
49	C	97.5	Very high	95.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.324	C	S	.	.			trans	-103.9	5.9	171.2	-67.9	0	0	0	0	112.4	C40 V47 L54 Y69 L70 N73	C40-C49 HydrophobicContact CB-CB 4.1Å; C40-C49 WeakPolarHBondContact CB-SG 3.47Å; C40-C49 WeakPolarHBondContact SG-CA 3.05Å; C40-C49 WeakPolarHBondContact SG-CB 3.34Å; C40-C49 CovalentContact SG-SG 2.03Å; C40-C49 PolarHBondContact SG-SG 2.7Å; V47-C49 VanDerWaalsContact CG1-SG 3.57Å; C49-L54 HydrophobicContact CB-CD1 3.84Å; C49-L54 WeakPolarHBondContact O-CD1 3.33Å; C49-Y69 CarbonylContact C-O 3.53Å; C49-Y69 VanDerWaalsContact C-O 3.27Å; C49-Y69 VanDerWaalsContact CA-O 3.25Å; C49-Y69 WeakPolarHBondContact CA-O 2.99Å; C49-Y69 VanDerWaalsContact CB-O 3.31Å; C49-Y69 WeakPolarHBondContact CB-O 3.37Å; C49-Y69 PolarHBondContact N-O 3.22Å; C49-L70 HydrophobicContact CB-CD2 3.55Å; C49-L70 HydrophobicContact CB-CG 4.35Å; C49-N73 PolarHBondContact O-ND2 3.41Å
50	N	97.6	Very high	94.8	Very high	27 Å²	27	63.7 Å²	63.7	14%	0.144	32%	0.32	C	S	.	.			trans	-68	156.5	175.9	66.4	-65.8	0	0	0	112.9	R52 Y69 H71	N50-R52 WeakPolarHBondContact O-CD 3.27Å; N50-R52 WeakPolarHBondContact O-CG 3.46Å; N50-R52 PolarHBondContact O-N 2.66Å; N50-R52 PolarHBondContact O-NE 2.83Å; N50-Y69 PolarHBondContact N-O 2.8Å; N50-H71 WeakPolarHBondContact CA-O 3.16Å; N50-H71 WeakPolarHBondContact CB-NE2 3.42Å; N50-H71 VanDerWaalsContact CB-O 3.27Å; N50-H71 WeakPolarHBondContact CB-O 3.13Å
51	E	97.6	Very high	94.6	Very high	127 Å²	127	64 Å²	64	59%	0.593	32%	0.32	S	S	*	.	S	Bend	trans	58	42	169.2	-65.2	163.7	-136.5	0	0	114.2	H71 N72	E51-H71 PolarHBondContact N-O 3.47Å; E51-H71 IonicContact OE1-CE1 3.76Å; E51-N72 VanDerWaalsContact CA-O 3.3Å; E51-N72 WeakPolarHBondContact CA-O 3.46Å; E51-N72 HydrophobicContact CG-CB 3.55Å; E51-N72 PolarHBondContact N-O 3.28Å; E51-N72 PolarHBondContact OE1-ND2 2.86Å
52	R	96.9	Very high	94.2	Very high	102 Å²	102	58 Å²	58	39%	0.385	30%	0.3	S	S	.	.	S	Bend	trans	-127.9	6.5	-173	-75.9	156.9	-164.9	-83	-6.7	114.2	V39 Y48 N50 L54 N73	V39-R52 WeakPolarHBondContact O-CD 3.42Å; V39-R52 PolarHBondContact O-NH1 3.48Å; Y48-R52 PolarHBondContact O-NE 3.01Å; Y48-R52 VanDerWaalsContact O-NE 3.16Å; Y48-R52 PolarHBondContact O-NH2 2.81Å; N50-R52 WeakPolarHBondContact O-CD 3.27Å; N50-R52 WeakPolarHBondContact O-CG 3.46Å; N50-R52 PolarHBondContact O-N 2.66Å; N50-R52 PolarHBondContact O-NE 2.83Å; R52-L54 HydrophobicContact CB-CD1 4.34Å; R52-L54 HydrophobicContact CB-CD2 4.2Å; R52-L54 HydrophobicContact CB-CG 3.83Å; R52-L54 PolarHBondContact O-N 3.48Å; R52-N73 PolarHBondContact N-OD1 3.28Å
53	S	97.4	Very high	93.7	Very high	79 Å²	79	65 Å²	65	55%	0.552	33%	0.33	S	S	*	.			trans	52.4	36	-174.7	-54.8	0	0	0	0	113	N73	S53-N73 PolarHBondContact N-OD1 3.26Å
54	L	97.6	Very high	93.4	Very high	22 Å²	22	64.2 Å²	64.2	12%	0.115	34%	0.335	C	S	.	.			trans	-69.8	134.1	176.8	-60.1	177.4	0	0	0	110.1	V39 C49 R52 P58 N73 Q74 I75	V39-L54 HydrophobicContact CB-CD2 4.25Å; V39-L54 HydrophobicContact CG2-CD2 3.99Å; C49-L54 HydrophobicContact CB-CD1 3.84Å; C49-L54 WeakPolarHBondContact O-CD1 3.33Å; R52-L54 HydrophobicContact CB-CD1 4.34Å; R52-L54 HydrophobicContact CB-CD2 4.2Å; R52-L54 HydrophobicContact CB-CG 3.83Å; R52-L54 PolarHBondContact O-N 3.48Å; L54-P58 HydrophobicContact CD1-CG 4.41Å; L54-N73 HydrophobicContact CB-CB 4.38Å; L54-N73 PolarHBondContact N-OD1 2.9Å; L54-Q74 CarbonylContact O-C 3.17Å; L54-Q74 WeakPolarHBondContact O-CA 3.48Å; L54-Q74 PolarHBondContact O-N 3.41Å; L54-I75 HydrophobicContact CB-CG1 4.35Å; L54-I75 WeakPolarHBondContact O-CG1 3.17Å; L54-I75 PolarHBondContact O-N 2.04Å; L54-I75 VanDerWaalsContact O-N 3.14Å
55	T	97.3	Very high	93.5	Very high	78 Å²	78	54.6 Å²	54.6	48%	0.479	30%	0.3	S	S	.	.	S	Bend	trans	-95.5	-7.9	173.5	51.7	0	0	0	0	113.5	Q74	T55-Q74 WeakPolarHBondContact CA-O 3.49Å; T55-Q74 HydrophobicContact CG2-CB 4.15Å
56	S	97.4	Very high	93.6	Very high	57 Å²	57	53 Å²	53	40%	0.399	29%	0.293	S	S	.	.	S	Bend	trans	-148.9	158.5	176.1	59.3	0	0	0	0	111.7
57	V	96.9	Very high	93.7	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-70	124.1	171.2	-174.7	0	0	0	0	108.4	L70 I75 G79 F80 L84	V57-L70 HydrophobicContact CG1-CD1 3.93Å; V57-L70 HydrophobicContact CG1-CD2 4.16Å; V57-L70 HydrophobicContact CG2-CD1 3.93Å; V57-L70 HydrophobicContact CG2-CD2 4.44Å; V57-I75 HydrophobicContact CG2-CD1 4.32Å; V57-I75 HydrophobicContact CG2-CG2 4.37Å; V57-G79 PolarHBondContact N-O 3.3Å; V57-F80 HydrophobicContact CG2-CD1 3.96Å; V57-F80 HydrophobicContact CG2-CE1 3.9Å; V57-F80 HydrophobicContact CG2-CZ 4.41Å; V57-L84 HydrophobicContact CB-CD2 4.48Å; V57-L84 HydrophobicContact CG1-CD1 4.21Å; V57-L84 HydrophobicContact CG1-CD2 4.1Å; V57-L84 HydrophobicContact CG2-CD2 4.33Å
58	P	94	Very high	93.8	Very high	18 Å²	18	50.5 Å²	50.5	12%	0.117	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-76.6	141.4	-171.8	29.2	-33.4	0	0	0	112.3	P37 V39 L54	P37-P58 HydrophobicContact CB-CB 3.87Å; P37-P58 HydrophobicContact CB-CG 4Å; P37-P58 HydrophobicContact CG-CB 4.31Å; P37-P58 HydrophobicContact CG-CG 4.11Å; V39-P58 HydrophobicContact CG2-CB 3.84Å; V39-P58 HydrophobicContact CG2-CG 4.15Å; L54-P58 HydrophobicContact CD1-CG 4.41Å
59	L	90.7	Very high	93.8	Very high	107 Å²	107	49.3 Å²	49.3	56%	0.56	28%	0.279	S	S	*	.	S	Bend	trans	-63.7	152.4	178	-58.5	175.9	0	0	0	112.1	P81	L59-P81 HydrophobicContact CD2-CB 3.64Å; L59-P81 HydrophobicContact CD2-CG 3.86Å
60	G	86.4	Confident	93.9	Very high	37 Å²	37	49.3 Å²	49.3	38%	0.381	28%	0.279	S	S	.	.			trans	75.5	53.5	-179	0	0	0	0	0	113.3	P37	P37-G60 WeakPolarHBondContact CD-O 3.34Å; P37-G60 WeakPolarHBondContact CG-O 3.3Å
61	I	90.6	Very high	93.9	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.108	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-75.1	125.7	165	-56	-59	0	0	0	108.3	P37 V47 V65 L68 L84 V87	P37-I61 HydrophobicContact CG-CD1 4.01Å; V47-I61 HydrophobicContact CG1-CD1 4.44Å; I61-V65 HydrophobicContact CG2-CG2 4.48Å; I61-L68 HydrophobicContact CD1-CD1 4.16Å; I61-L84 HydrophobicContact CG1-CD1 4.32Å; I61-V87 HydrophobicContact CB-CG2 4.35Å; I61-V87 HydrophobicContact CG2-CG1 4.14Å
62	P	86.6	Confident	94	Very high	21 Å²	21	45.7 Å²	45.7	14%	0.136	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-63.7	140.4	-177.3	-22.6	31.3	0	0	0	114.3	G64 V65	P62-G64 PolarHBondContact O-N 3.28Å; P62-V65 HydrophobicContact CB-CG2 3.98Å; P62-V65 HydrophobicContact CG-CG2 4.27Å; P62-V65 VanDerWaalsContact O-CG2 3.23Å; P62-V65 WeakPolarHBondContact O-CG2 3.03Å; P62-V65 PolarHBondContact O-N 2.79Å
63	E	82.4	Confident	94	Very high	175 Å²	175	41.5 Å²	41.5	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	132.8	165.3	-62.2	179.7	140.8	0	0	110
64	G	85.3	Confident	94.1	Very high	40 Å²	40	41.6 Å²	41.6	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	-8.2	-177.3	0	0	0	0	0	114.9	P62 T66 S89	P62-G64 PolarHBondContact O-N 3.28Å; G64-T66 PolarHBondContact O-N 2.78Å; G64-S89 WeakPolarHBondContact CA-OG 3.44Å; G64-S89 PolarHBondContact N-OG 2.84Å
65	V	90.8	Very high	94.1	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.036	24%	0.235	C	C	.	.			trans	-64.5	131	169.3	173.4	0	0	0	0	109.8	N45 V47 I61 P62 V67 S89 V90	N45-V65 CarbonylContact O-C 3.27Å; N45-V65 WeakPolarHBondContact O-CA 3.22Å; N45-V65 WeakPolarHBondContact O-CG1 3.48Å; V47-V65 HydrophobicContact CB-CG1 4.27Å; V47-V65 HydrophobicContact CG2-CB 4.19Å; V47-V65 HydrophobicContact CG2-CG1 3.61Å; V47-V65 HydrophobicContact CG2-CG2 3.45Å; V47-V65 VanDerWaalsContact CG2-CG2 3.45Å; I61-V65 HydrophobicContact CG2-CG2 4.48Å; P62-V65 HydrophobicContact CB-CG2 3.98Å; P62-V65 HydrophobicContact CG-CG2 4.27Å; P62-V65 VanDerWaalsContact O-CG2 3.23Å; P62-V65 WeakPolarHBondContact O-CG2 3.03Å; P62-V65 PolarHBondContact O-N 2.79Å; V65-V67 WeakPolarHBondContact CG1-O 3.48Å; V65-S89 PolarHBondContact N-OG 2.85Å; V65-S89 CarbonylContact O-C 3.02Å; V65-S89 WeakPolarHBondContact O-CB 3.31Å; V65-S89 VanDerWaalsContact O-O 3.13Å; V65-S89 PolarHBondContact O-OG 3.07Å; V65-V90 HydrophobicContact CB-CG2 4.32Å; V65-V90 HydrophobicContact CG1-CG2 4.09Å; V65-V90 WeakPolarHBondContact O-CA 3.48Å; V65-V90 WeakPolarHBondContact O-CG2 3.31Å; V65-V90 PolarHBondContact O-N 2.82Å
66	T	94.6	Very high	94.1	Very high	45 Å²	45	39.7 Å²	39.7	28%	0.276	23%	0.227	S	C	.	.			trans	-102.5	-30.2	-179.9	51.2	0	0	0	0	113.1	N45 G64 H91 T92	N45-T66 HydrophobicContact CB-CG2 4.21Å; N45-T66 WeakPolarHBondContact CB-OG1 3.27Å; N45-T66 PolarHBondContact O-N 3.34Å; N45-T66 PolarHBondContact O-OG1 3.07Å; G64-T66 PolarHBondContact O-N 2.78Å; T66-H91 PolarHBondContact O-N 2.71Å; T66-T92 PolarHBondContact O-N 2.87Å
67	V	97.3	Very high	94.1	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132	-176.7	-177	0	0	0	0	110.5	N45 F46 V47 V65 Y69 T92 Y94	N45-V67 PolarHBondContact O-N 3.48Å; F46-V67 HydrophobicContact CD1-CB 3.75Å; F46-V67 HydrophobicContact CD1-CG1 4.32Å; F46-V67 HydrophobicContact CD1-CG2 4.14Å; F46-V67 HydrophobicContact CE1-CB 4.04Å; F46-V67 HydrophobicContact CE1-CG2 3.9Å; V47-V67 PolarHBondContact N-O 2.78Å; V47-V67 VanDerWaalsContact N-O 3.14Å; V65-V67 WeakPolarHBondContact CG1-O 3.48Å; V67-Y69 HydrophobicContact CG1-CD2 4.43Å; V67-Y69 HydrophobicContact CG1-CE1 4.17Å; V67-Y69 HydrophobicContact CG1-CE2 3.86Å; V67-T92 WeakPolarHBondContact CA-O 3.25Å; V67-T92 HydrophobicContact CG1-CG2 4.3Å; V67-Y94 HydrophobicContact CG1-CD2 4.13Å; V67-Y94 HydrophobicContact CG1-CE2 3.78Å
68	L	97.3	Very high	94.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.4	-174.4	-179.6	58	0	0	0	110.5	V47 I61 L70 L84 V90 T92 V93 Y94	V47-L68 HydrophobicContact CB-CD1 3.73Å; V47-L68 HydrophobicContact CG1-CD1 3.7Å; I61-L68 HydrophobicContact CD1-CD1 4.16Å; L68-L70 HydrophobicContact CD1-CD1 4.26Å; L68-L70 HydrophobicContact CD1-CG 4.22Å; L68-L70 HydrophobicContact CD2-CD1 3.7Å; L68-L70 HydrophobicContact CG-CD1 3.69Å; L68-L70 HydrophobicContact CG-CG 4.02Å; L68-L84 HydrophobicContact CD2-CD1 4.05Å; L68-V90 HydrophobicContact CB-CG1 4.22Å; L68-T92 PolarHBondContact N-O 3.23Å; L68-V93 HydrophobicContact CB-CG2 4.39Å; L68-Y94 PolarHBondContact O-N 2.87Å
69	Y	98.4	Very high	94.2	Very high	48 Å²	48	42.7 Å²	42.7	19%	0.188	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.7	177.4	-57.3	-82.6	0	0	0	110	F46 V47 Y48 C49 N50 V67 Y94	F46-Y69 HydrophobicContact CB-CE2 4.34Å; F46-Y69 AromaticContact CD1-CE2 3.94Å; F46-Y69 HydrophobicContact CD1-CE2 3.94Å; V47-Y69 WeakPolarHBondContact O-CD2 3.03Å; V47-Y69 PolarHBondContact O-N 3.04Å; Y48-Y69 AromaticContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CD2 3.58Å; Y48-Y69 HydrophobicContact CD1-CE2 4.04Å; Y48-Y69 HydrophobicContact CD1-CG 4.23Å; Y48-Y69 AromaticContact CE1-CD2 3.54Å; Y48-Y69 HydrophobicContact CE1-CD2 3.54Å; Y48-Y69 AromaticContact CE1-CE2 3.47Å; Y48-Y69 HydrophobicContact CE1-CE2 3.47Å; Y48-Y69 VanDerWaalsContact CE1-CE2 3.47Å; Y48-Y69 HydrophobicContact CE1-CG 4.4Å; Y48-Y69 HydrophobicContact CG-CD2 4.31Å; Y48-Y69 AromaticContact CZ-CE2 3.91Å; C49-Y69 CarbonylContact C-O 3.53Å; C49-Y69 VanDerWaalsContact C-O 3.27Å; C49-Y69 VanDerWaalsContact CA-O 3.25Å; C49-Y69 WeakPolarHBondContact CA-O 2.99Å; C49-Y69 VanDerWaalsContact CB-O 3.31Å; C49-Y69 WeakPolarHBondContact CB-O 3.37Å; C49-Y69 PolarHBondContact N-O 3.22Å; N50-Y69 PolarHBondContact N-O 2.8Å; V67-Y69 HydrophobicContact CG1-CD2 4.43Å; V67-Y69 HydrophobicContact CG1-CE1 4.17Å; V67-Y69 HydrophobicContact CG1-CE2 3.86Å; Y69-Y94 AromaticContact CD1-CD2 3.37Å; Y69-Y94 HydrophobicContact CD1-CD2 3.37Å; Y69-Y94 AromaticContact CD1-CE2 3.92Å; Y69-Y94 HydrophobicContact CD1-CE2 3.92Å; Y69-Y94 AromaticContact CD1-CG 3.96Å; Y69-Y94 HydrophobicContact CD1-CG 3.96Å; Y69-Y94 AromaticContact CE1-CD2 3.41Å; Y69-Y94 HydrophobicContact CE1-CD2 3.41Å; Y69-Y94 VanDerWaalsContact CE1-CD2 3.41Å; Y69-Y94 AromaticContact CE1-CE2 3.41Å; Y69-Y94 HydrophobicContact CE1-CE2 3.41Å; Y69-Y94 VanDerWaalsContact CE1-CE2 3.41Å; Y69-Y94 HydrophobicContact CE1-CG 4.25Å; Y69-Y94 HydrophobicContact CG-CD2 4.31Å
70	L	98.3	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.228	C	C	.	.			trans	-124.2	4.9	178.7	-72.3	160.3	0	0	0	112.4	C49 V57 L68 N73 I75 Y94 L95 N98	C49-L70 HydrophobicContact CB-CD2 3.55Å; C49-L70 HydrophobicContact CB-CG 4.35Å; V57-L70 HydrophobicContact CG1-CD1 3.93Å; V57-L70 HydrophobicContact CG1-CD2 4.16Å; V57-L70 HydrophobicContact CG2-CD1 3.93Å; V57-L70 HydrophobicContact CG2-CD2 4.44Å; L68-L70 HydrophobicContact CD1-CD1 4.26Å; L68-L70 HydrophobicContact CD1-CG 4.22Å; L68-L70 HydrophobicContact CD2-CD1 3.7Å; L68-L70 HydrophobicContact CG-CD1 3.69Å; L68-L70 HydrophobicContact CG-CG 4.02Å; L70-N73 PolarHBondContact O-ND2 3.41Å; L70-I75 HydrophobicContact CB-CD1 4.04Å; L70-I75 HydrophobicContact CD2-CD1 3.93Å; L70-I75 HydrophobicContact CG-CD1 4.49Å; L70-Y94 CarbonylContact C-O 3.56Å; L70-Y94 VanDerWaalsContact CA-O 3.31Å; L70-Y94 WeakPolarHBondContact CA-O 3.31Å; L70-Y94 WeakPolarHBondContact CB-O 3.44Å; L70-Y94 PolarHBondContact N-O 2.83Å; L70-L95 HydrophobicContact CB-CD2 3.6Å; L70-L95 HydrophobicContact CB-CG 4.15Å; L70-L95 HydrophobicContact CD1-CD2 4.01Å; L70-L95 HydrophobicContact CD1-CG 4.4Å; L70-L95 HydrophobicContact CG-CD2 4.44Å; L70-N98 PolarHBondContact O-ND2 3.27Å
71	H	98.5	Very high	94.9	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.065	22%	0.219	C	C	.	.			trans	-65.4	163.8	-178	67.4	89.7	0	0	0	113.8	N50 E51 N73 Y94 Y96	N50-H71 WeakPolarHBondContact CA-O 3.16Å; N50-H71 WeakPolarHBondContact CB-NE2 3.42Å; N50-H71 VanDerWaalsContact CB-O 3.27Å; N50-H71 WeakPolarHBondContact CB-O 3.13Å; E51-H71 PolarHBondContact N-O 3.47Å; E51-H71 IonicContact OE1-CE1 3.76Å; H71-N73 PolarHBondContact O-ND2 2.82Å; H71-Y94 PolarHBondContact N-O 2.9Å; H71-Y96 CarbonylContact C-O 3.53Å; H71-Y96 WeakPolarHBondContact CA-O 3.32Å; H71-Y96 HydrophobicContact CB-CD1 3.55Å; H71-Y96 HydrophobicContact CB-CD2 3.89Å; H71-Y96 HydrophobicContact CB-CE1 3.45Å; H71-Y96 VanDerWaalsContact CB-CE1 3.45Å; H71-Y96 HydrophobicContact CB-CE2 3.8Å; H71-Y96 HydrophobicContact CB-CG 3.76Å; H71-Y96 WeakPolarHBondContact CB-O 3.39Å; H71-Y96 AromaticContact CD2-CE1 3.83Å; H71-Y96 AromaticContact CD2-CZ 3.89Å; H71-Y96 AromaticContact CE1-CZ 3.95Å; H71-Y96 PolarHBondContact CE1-OH 3.29Å; H71-Y96 VanDerWaalsContact CE1-OH 3.3Å; H71-Y96 AromaticContact CG-CE1 3.53Å; H71-Y96 AromaticContact CG-CE2 3.89Å; H71-Y96 AromaticContact CG-CZ 3.37Å; H71-Y96 AromaticContact ND1-CE2 3.73Å; H71-Y96 AromaticContact ND1-CZ 3.41Å; H71-Y96 PolarHBondContact ND1-OH 2.95Å
72	N	98.4	Very high	95.1	Very high	65 Å²	65	40 Å²	40	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	54.4	56.3	178.9	-57.7	-20.2	0	0	0	111.9	E51 Y96 G97	E51-N72 VanDerWaalsContact CA-O 3.3Å; E51-N72 WeakPolarHBondContact CA-O 3.46Å; E51-N72 HydrophobicContact CG-CB 3.55Å; E51-N72 PolarHBondContact N-O 3.28Å; E51-N72 PolarHBondContact OE1-ND2 2.86Å; N72-Y96 PolarHBondContact N-O 3.43Å; N72-G97 CarbonylContact C-O 3.56Å; N72-G97 WeakPolarHBondContact CA-O 3.4Å; N72-G97 PolarHBondContact N-O 3.04Å; N72-G97 VanDerWaalsContact N-O 3.15Å
73	N	98.5	Very high	95.3	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	26%	0.259	C	S	.	.	S	Bend	trans	-136.9	-162.2	-178.7	-83.4	-56.3	0	0	0	110.1	C49 R52 S53 L54 L70 H71 I75 G97 N98	C49-N73 PolarHBondContact O-ND2 3.41Å; R52-N73 PolarHBondContact N-OD1 3.28Å; S53-N73 PolarHBondContact N-OD1 3.26Å; L54-N73 HydrophobicContact CB-CB 4.38Å; L54-N73 PolarHBondContact N-OD1 2.9Å; L70-N73 PolarHBondContact O-ND2 3.41Å; H71-N73 PolarHBondContact O-ND2 2.82Å; N73-I75 HydrophobicContact CB-CD1 4.27Å; N73-I75 HydrophobicContact CB-CG1 4.04Å; N73-G97 PolarHBondContact N-O 3.34Å; N73-N98 WeakPolarHBondContact CA-OD1 3.36Å; N73-N98 WeakPolarHBondContact CB-OD1 3.34Å
74	Q	98.2	Very high	95.9	Very high	82 Å²	82	36.4 Å²	36.4	38%	0.383	22%	0.222	S	C	.	.			trans	-126.1	30.4	-179.6	-65	173.8	8.6	0	0	110.1	L54 T55 N76 N98	L54-Q74 CarbonylContact O-C 3.17Å; L54-Q74 WeakPolarHBondContact O-CA 3.48Å; L54-Q74 PolarHBondContact O-N 3.41Å; T55-Q74 WeakPolarHBondContact CA-O 3.49Å; T55-Q74 HydrophobicContact CG2-CB 4.15Å; Q74-N76 PolarHBondContact O-N 3.04Å; Q74-N98 PolarHBondContact N-OD1 3.33Å
75	I	98.3	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.21	C	C	.	.			trans	-72.1	128.5	-175.9	-57.5	172.8	0	0	0	108.6	L54 V57 L70 N73 F80 L95 N98 Q99 L100	L54-I75 HydrophobicContact CB-CG1 4.35Å; L54-I75 WeakPolarHBondContact O-CG1 3.17Å; L54-I75 PolarHBondContact O-N 2.04Å; L54-I75 VanDerWaalsContact O-N 3.14Å; V57-I75 HydrophobicContact CG2-CD1 4.32Å; V57-I75 HydrophobicContact CG2-CG2 4.37Å; L70-I75 HydrophobicContact CB-CD1 4.04Å; L70-I75 HydrophobicContact CD2-CD1 3.93Å; L70-I75 HydrophobicContact CG-CD1 4.49Å; N73-I75 HydrophobicContact CB-CD1 4.27Å; N73-I75 HydrophobicContact CB-CG1 4.04Å; I75-F80 HydrophobicContact CG2-CE2 3.76Å; I75-F80 HydrophobicContact CG2-CZ 3.97Å; I75-L95 HydrophobicContact CD1-CD2 4.19Å; I75-N98 VanDerWaalsContact CB-OD1 3.31Å; I75-N98 WeakPolarHBondContact CB-OD1 3.21Å; I75-N98 WeakPolarHBondContact CG1-OD1 3.45Å; I75-N98 PolarHBondContact N-OD1 2.85Å; I75-Q99 CarbonylContact O-C 3.5Å; I75-Q99 WeakPolarHBondContact O-CA 3.31Å; I75-Q99 PolarHBondContact O-N 3.3Å; I75-L100 HydrophobicContact CG2-CD2 4.46Å; I75-L100 WeakPolarHBondContact O-CD2 3.46Å
76	N	97.7	Very high	96.3	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	24%	0.238	S	C	.	.			trans	-110.9	174.6	174.3	64.6	56.1	0	0	0	111.5	Q74 A78 G79 F80 Q99	Q74-N76 PolarHBondContact O-N 3.04Å; N76-A78 VanDerWaalsContact C-N 3.28Å; N76-A78 PolarHBondContact O-N 2.83Å; N76-A78 WeakPolarHBondContact OD1-CB 3.36Å; N76-A78 PolarHBondContact OD1-N 2.88Å; N76-G79 WeakPolarHBondContact O-CA 3.45Å; N76-G79 PolarHBondContact O-N 3.17Å; N76-G79 PolarHBondContact OD1-N 2.78Å; N76-F80 WeakPolarHBondContact O-CE2 3.45Å; N76-Q99 VanDerWaalsContact CA-O 3.31Å; N76-Q99 WeakPolarHBondContact CA-O 3.46Å; N76-Q99 WeakPolarHBondContact CB-O 3.06Å
77	N	97.3	Very high	96.2	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.9	-175.5	-70.6	79.3	0	0	0	115.1	G79 L100 D101 E102	N77-G79 PolarHBondContact O-N 3.39Å; N77-L100 WeakPolarHBondContact OD1-CA 3.33Å; N77-D101 PolarHBondContact OD1-N 3.02Å; N77-E102 VanDerWaalsContact ND2-C 3.3Å; N77-E102 WeakPolarHBondContact ND2-CB 3.36Å; N77-E102 PolarHBondContact ND2-O 2.89Å; N77-E102 PolarHBondContact OD1-N 2.8Å
78	A	96.1	Very high	95.9	Very high	97 Å²	97	45.5 Å²	45.5	80%	0.802	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-76	-10.6	172.6	0	0	0	0	0	112.8	N76 F80	N76-A78 VanDerWaalsContact C-N 3.28Å; N76-A78 PolarHBondContact O-N 2.83Å; N76-A78 WeakPolarHBondContact OD1-CB 3.36Å; N76-A78 PolarHBondContact OD1-N 2.88Å; A78-F80 VanDerWaalsContact C-N 3.28Å; A78-F80 PolarHBondContact O-N 3.01Å
79	G	95.8	Very high	95.8	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-78	7	-177.6	0	0	0	0	0	116.3	V57 N76 N77 P81	V57-G79 PolarHBondContact N-O 3.3Å; N76-G79 WeakPolarHBondContact O-CA 3.45Å; N76-G79 PolarHBondContact O-N 3.17Å; N76-G79 PolarHBondContact OD1-N 2.78Å; N77-G79 PolarHBondContact O-N 3.39Å; G79-P81 VanDerWaalsContact O-CD 3.32Å; G79-P81 WeakPolarHBondContact O-CD 3.23Å
80	F	97.2	Very high	95.7	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.048	25%	0.253	C	S	.	.			trans	-107.8	96.1	-173.4	-69.2	-95.2	0	0	0	112.8	V57 I75 N76 A78 L84 L95 L100 P104 M105 N106 L107	V57-F80 HydrophobicContact CG2-CD1 3.96Å; V57-F80 HydrophobicContact CG2-CE1 3.9Å; V57-F80 HydrophobicContact CG2-CZ 4.41Å; I75-F80 HydrophobicContact CG2-CE2 3.76Å; I75-F80 HydrophobicContact CG2-CZ 3.97Å; N76-F80 WeakPolarHBondContact O-CE2 3.45Å; A78-F80 VanDerWaalsContact C-N 3.28Å; A78-F80 PolarHBondContact O-N 3.01Å; F80-L84 HydrophobicContact CD1-CD2 4Å; F80-L95 HydrophobicContact CE1-CD1 3.82Å; F80-L95 HydrophobicContact CE1-CD2 4.31Å; F80-L95 HydrophobicContact CZ-CD1 4.03Å; F80-L95 HydrophobicContact CZ-CD2 4.05Å; F80-L100 HydrophobicContact CE2-CD2 3.53Å; F80-L100 HydrophobicContact CZ-CD2 3.9Å; F80-P104 HydrophobicContact CD1-CB 4.07Å; F80-P104 HydrophobicContact CD2-CB 4.05Å; F80-P104 HydrophobicContact CE1-CB 3.71Å; F80-P104 HydrophobicContact CE1-CG 4.42Å; F80-P104 HydrophobicContact CE2-CB 3.7Å; F80-P104 HydrophobicContact CG-CB 4.24Å; F80-P104 HydrophobicContact CZ-CB 3.51Å; F80-P104 HydrophobicContact CZ-CG 4.26Å; F80-M105 VanDerWaalsContact CB-O 3.26Å; F80-M105 WeakPolarHBondContact CB-O 3.41Å; F80-N106 HydrophobicContact CB-CB 4.46Å; F80-N106 PolarHBondContact O-ND2 2.74Å; F80-L107 HydrophobicContact CD1-CD2 4.2Å; F80-L107 HydrophobicContact CE1-CD2 3.92Å
81	P	95.6	Very high	95.6	Very high	32 Å²	32	47.4 Å²	47.4	21%	0.208	27%	0.267	C	S	.	.			trans	-70	140.9	-178.6	29.9	-34.3	0	0	0	111.4	L59 G79 E83 L84	L59-P81 HydrophobicContact CD2-CB 3.64Å; L59-P81 HydrophobicContact CD2-CG 3.86Å; G79-P81 VanDerWaalsContact O-CD 3.32Å; G79-P81 WeakPolarHBondContact O-CD 3.23Å; P81-E83 PolarHBondContact O-N 3.27Å; P81-E83 VanDerWaalsContact O-N 3.07Å; P81-L84 HydrophobicContact CG-CB 4.42Å; P81-L84 VanDerWaalsContact O-CB 3.23Å; P81-L84 WeakPolarHBondContact O-CB 3.18Å; P81-L84 PolarHBondContact O-N 2.87Å
82	A	93.9	Very high	95.6	Very high	66 Å²	66	48 Å²	48	55%	0.545	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57	-27.3	-179.4	0	0	0	0	0	113.9	L84 H85	A82-L84 PolarHBondContact O-N 2.98Å; A82-H85 PolarHBondContact O-N 2.99Å
83	E	91.6	Very high	95.6	Very high	115 Å²	115	44.9 Å²	44.9	54%	0.537	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-57.2	-30.9	174.1	-66	172.7	-157.9	0	0	113.3	P81 H85 N86	P81-E83 PolarHBondContact O-N 3.27Å; P81-E83 VanDerWaalsContact O-N 3.07Å; E83-H85 VanDerWaalsContact C-N 3.27Å; E83-H85 PolarHBondContact O-N 2.98Å; E83-N86 WeakPolarHBondContact O-CB 3.16Å; E83-N86 PolarHBondContact O-N 2.9Å; E83-N86 VanDerWaalsContact O-N 3.16Å
84	L	94.1	Very high	95.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.3	-33.4	-179.1	-177.3	66.1	0	0	0	112.3	V57 I61 L68 F80 P81 A82 N86 V87 N106 L107 P108	V57-L84 HydrophobicContact CB-CD2 4.48Å; V57-L84 HydrophobicContact CG1-CD1 4.21Å; V57-L84 HydrophobicContact CG1-CD2 4.1Å; V57-L84 HydrophobicContact CG2-CD2 4.33Å; I61-L84 HydrophobicContact CG1-CD1 4.32Å; L68-L84 HydrophobicContact CD2-CD1 4.05Å; F80-L84 HydrophobicContact CD1-CD2 4Å; P81-L84 HydrophobicContact CG-CB 4.42Å; P81-L84 VanDerWaalsContact O-CB 3.23Å; P81-L84 WeakPolarHBondContact O-CB 3.18Å; P81-L84 PolarHBondContact O-N 2.87Å; A82-L84 PolarHBondContact O-N 2.98Å; L84-N86 PolarHBondContact O-N 3.31Å; L84-V87 WeakPolarHBondContact O-CG2 3.06Å; L84-V87 PolarHBondContact O-N 3.24Å; L84-N106 CarbonylContact C-O 3.43Å; L84-N106 WeakPolarHBondContact CB-O 3.49Å; L84-L107 HydrophobicContact CD2-CD2 4.35Å; L84-P108 HydrophobicContact CD1-CG 3.99Å; L84-P108 HydrophobicContact CG-CG 4.02Å
85	H	93.9	Very high	95.7	Very high	38 Å²	38	43.3 Å²	43.3	18%	0.176	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.2	-30.2	179.2	-171.5	65.9	0	0	0	112.2	A82 E83 V87 N106 L107 K109	A82-H85 PolarHBondContact O-N 2.99Å; E83-H85 VanDerWaalsContact C-N 3.27Å; E83-H85 PolarHBondContact O-N 2.98Å; H85-V87 VanDerWaalsContact C-N 3.3Å; H85-V87 PolarHBondContact O-N 3.16Å; H85-N106 WeakPolarHBondContact CA-O 3.44Å; H85-N106 PolarHBondContact N-O 3.32Å; H85-L107 PolarHBondContact ND1-O 2.97Å; H85-K109 PolarHBondContact O-N 3.18Å
86	N	91.8	Very high	95.7	Very high	116 Å²	116	45.9 Å²	45.9	62%	0.62	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-76.4	-11.5	-177.7	-60.6	-34.5	0	0	0	113.6	E83 L84 Q88	E83-N86 WeakPolarHBondContact O-CB 3.16Å; E83-N86 PolarHBondContact O-N 2.9Å; E83-N86 VanDerWaalsContact O-N 3.16Å; L84-N86 PolarHBondContact O-N 3.31Å; N86-Q88 PolarHBondContact O-N 2.76Å
87	V	92.4	Very high	95.7	Very high	17 Å²	17	44 Å²	44	10%	0.103	25%	0.249	C	C	.	.			trans	-78.4	71.2	-174.4	-166.7	0	0	0	0	111.2	I61 L84 H85 S89 V90	I61-V87 HydrophobicContact CB-CG2 4.35Å; I61-V87 HydrophobicContact CG2-CG1 4.14Å; L84-V87 WeakPolarHBondContact O-CG2 3.06Å; L84-V87 PolarHBondContact O-N 3.24Å; H85-V87 VanDerWaalsContact C-N 3.3Å; H85-V87 PolarHBondContact O-N 3.16Å; V87-S89 PolarHBondContact O-N 3.25Å; V87-V90 HydrophobicContact CB-CG2 4.47Å; V87-V90 HydrophobicContact CG1-CG2 3.77Å; V87-V90 PolarHBondContact O-N 2.84Å
88	Q	91.6	Very high	95.8	Very high	132 Å²	132	42.8 Å²	42.8	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.1	-170.9	-74.1	-177.3	64.3	0	0	116	N86 N110	N86-Q88 PolarHBondContact O-N 2.76Å; Q88-N110 WeakPolarHBondContact CB-ND2 3.43Å; Q88-N110 WeakPolarHBondContact O-CB 3.45Å; Q88-N110 PolarHBondContact O-ND2 3.25Å
89	S	93.8	Very high	95.9	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.9	179.3	56.9	0	0	0	0	114.2	G64 V65 V87 H91	G64-S89 WeakPolarHBondContact CA-OG 3.44Å; G64-S89 PolarHBondContact N-OG 2.84Å; V65-S89 PolarHBondContact N-OG 2.85Å; V65-S89 CarbonylContact O-C 3.02Å; V65-S89 WeakPolarHBondContact O-CB 3.31Å; V65-S89 VanDerWaalsContact O-O 3.13Å; V65-S89 PolarHBondContact O-OG 3.07Å; V87-S89 PolarHBondContact O-N 3.25Å; S89-H91 PolarHBondContact O-CE1 3.25Å; S89-H91 PolarHBondContact O-ND1 3.27Å
90	V	96.5	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.			trans	-78	127.6	-175.5	178.4	0	0	0	0	110.3	V65 L68 V87 V93 P108 N110 V111	V65-V90 HydrophobicContact CB-CG2 4.32Å; V65-V90 HydrophobicContact CG1-CG2 4.09Å; V65-V90 WeakPolarHBondContact O-CA 3.48Å; V65-V90 WeakPolarHBondContact O-CG2 3.31Å; V65-V90 PolarHBondContact O-N 2.82Å; L68-V90 HydrophobicContact CB-CG1 4.22Å; V87-V90 HydrophobicContact CB-CG2 4.47Å; V87-V90 HydrophobicContact CG1-CG2 3.77Å; V87-V90 PolarHBondContact O-N 2.84Å; V90-V93 HydrophobicContact CG1-CG2 3.63Å; V90-P108 HydrophobicContact CB-CB 4.05Å; V90-P108 HydrophobicContact CB-CG 4.12Å; V90-P108 HydrophobicContact CG1-CG 4.2Å; V90-N110 CarbonylContact O-C 3.08Å; V90-V111 HydrophobicContact CG1-CG2 4.25Å; V90-V111 PolarHBondContact O-N 3.32Å
91	H	96.9	Very high	96	Very high	61 Å²	61	46 Å²	46	28%	0.282	24%	0.242	S	C	.	.			trans	-118.8	-20.6	-179.1	-69.1	93	0	0	0	113	T66 S89 N110 R112 V113	T66-H91 PolarHBondContact O-N 2.71Å; S89-H91 PolarHBondContact O-CE1 3.25Å; S89-H91 PolarHBondContact O-ND1 3.27Å; H91-N110 PolarHBondContact CD2-O 2.87Å; H91-R112 PolarHBondContact CD2-NE 2.96Å; H91-R112 VanDerWaalsContact CD2-NE 3.35Å; H91-R112 PolarHBondContact O-N 2.03Å; H91-V113 PolarHBondContact O-N 2.99Å; H91-V113 VanDerWaalsContact O-N 3.08Å
92	T	98.5	Very high	96.1	Very high	27 Å²	27	49.4 Å²	49.4	17%	0.166	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.4	177.7	-54.8	0	0	0	0	110.7	T66 V67 L68 Y94 V113	T66-T92 PolarHBondContact O-N 2.87Å; V67-T92 WeakPolarHBondContact CA-O 3.25Å; V67-T92 HydrophobicContact CG1-CG2 4.3Å; L68-T92 PolarHBondContact N-O 3.23Å; T92-Y94 HydrophobicContact CG2-CD2 4.15Å; T92-Y94 HydrophobicContact CG2-CE2 3.52Å; T92-V113 WeakPolarHBondContact CA-O 3.19Å; T92-V113 HydrophobicContact CG2-CB 4.07Å; T92-V113 HydrophobicContact CG2-CG1 4.29Å
93	V	98.5	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128	178.5	179.7	0	0	0	0	110	L68 V90 L95 V111 V113 L114 H115	L68-V93 HydrophobicContact CB-CG2 4.39Å; V90-V93 HydrophobicContact CG1-CG2 3.63Å; V93-L95 HydrophobicContact CG1-CD1 3.6Å; V93-L95 HydrophobicContact CG1-CG 3.84Å; V93-V111 HydrophobicContact CG2-CG2 3.62Å; V93-V113 PolarHBondContact N-O 3.14Å; V93-L114 HydrophobicContact CB-CD1 3.97Å; V93-L114 HydrophobicContact CG1-CD1 4.2Å; V93-H115 PolarHBondContact O-N 3.46Å
94	Y	98.8	Very high	96.6	Very high	62 Å²	62	41 Å²	41	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.1	173.8	-63.3	-87.8	0	0	0	110.2	V67 L68 Y69 L70 H71 T92 Y96 H115	V67-Y94 HydrophobicContact CG1-CD2 4.13Å; V67-Y94 HydrophobicContact CG1-CE2 3.78Å; L68-Y94 PolarHBondContact O-N 2.87Å; Y69-Y94 AromaticContact CD1-CD2 3.37Å; Y69-Y94 HydrophobicContact CD1-CD2 3.37Å; Y69-Y94 AromaticContact CD1-CE2 3.92Å; Y69-Y94 HydrophobicContact CD1-CE2 3.92Å; Y69-Y94 AromaticContact CD1-CG 3.96Å; Y69-Y94 HydrophobicContact CD1-CG 3.96Å; Y69-Y94 AromaticContact CE1-CD2 3.41Å; Y69-Y94 HydrophobicContact CE1-CD2 3.41Å; Y69-Y94 VanDerWaalsContact CE1-CD2 3.41Å; Y69-Y94 AromaticContact CE1-CE2 3.41Å; Y69-Y94 HydrophobicContact CE1-CE2 3.41Å; Y69-Y94 VanDerWaalsContact CE1-CE2 3.41Å; Y69-Y94 HydrophobicContact CE1-CG 4.25Å; Y69-Y94 HydrophobicContact CG-CD2 4.31Å; L70-Y94 CarbonylContact C-O 3.56Å; L70-Y94 VanDerWaalsContact CA-O 3.31Å; L70-Y94 WeakPolarHBondContact CA-O 3.31Å; L70-Y94 WeakPolarHBondContact CB-O 3.44Å; L70-Y94 PolarHBondContact N-O 2.83Å; H71-Y94 PolarHBondContact N-O 2.9Å; T92-Y94 HydrophobicContact CG2-CD2 4.15Å; T92-Y94 HydrophobicContact CG2-CE2 3.52Å; Y94-Y96 HydrophobicContact CD1-CD1 4.14Å; Y94-Y96 AromaticContact CD1-CE1 3.79Å; Y94-Y96 HydrophobicContact CD1-CE1 3.79Å; Y94-Y96 HydrophobicContact CG-CE1 4.3Å; Y94-H115 HydrophobicContact CD1-CB 3.95Å; Y94-H115 AromaticContact CD1-CD2 3.25Å; Y94-H115 WeakPolarHBondContact CD1-CD2 3.44Å; Y94-H115 AromaticContact CD1-CG 3.7Å; Y94-H115 AromaticContact CD1-NE2 3.96Å; Y94-H115 AromaticContact CE1-CD2 3.13Å; Y94-H115 WeakPolarHBondContact CE1-CD2 3.15Å; Y94-H115 AromaticContact CE1-CG 3.87Å; Y94-H115 AromaticContact CE1-NE2 3.33Å; Y94-H115 VanDerWaalsContact CE1-NE2 3.33Å; Y94-H115 WeakPolarHBondContact CE1-NE2 3.31Å; Y94-H115 AromaticContact CZ-CD2 3.87Å; Y94-H115 AromaticContact CZ-NE2 3.89Å
95	L	98.6	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.			trans	-125.2	10.2	-178.6	-85.6	161.6	0	0	0	112.9	L70 I75 F80 V93 N98 L107 L114 H115 L116 N119	L70-L95 HydrophobicContact CB-CD2 3.6Å; L70-L95 HydrophobicContact CB-CG 4.15Å; L70-L95 HydrophobicContact CD1-CD2 4.01Å; L70-L95 HydrophobicContact CD1-CG 4.4Å; L70-L95 HydrophobicContact CG-CD2 4.44Å; I75-L95 HydrophobicContact CD1-CD2 4.19Å; F80-L95 HydrophobicContact CE1-CD1 3.82Å; F80-L95 HydrophobicContact CE1-CD2 4.31Å; F80-L95 HydrophobicContact CZ-CD1 4.03Å; F80-L95 HydrophobicContact CZ-CD2 4.05Å; V93-L95 HydrophobicContact CG1-CD1 3.6Å; V93-L95 HydrophobicContact CG1-CG 3.84Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-ND2 3.48Å; L95-L107 HydrophobicContact CD1-CD2 3.88Å; L95-L114 HydrophobicContact CD1-CD1 4.46Å; L95-H115 CarbonylContact C-O 3.15Å; L95-H115 WeakPolarHBondContact CA-O 3.48Å; L95-H115 PolarHBondContact N-O 3.48Å; L95-L116 HydrophobicContact CB-CD2 3.65Å; L95-L116 HydrophobicContact CD1-CD2 4.04Å; L95-L116 HydrophobicContact CG-CD2 4.49Å; L95-N119 PolarHBondContact O-ND2 3.29Å
96	Y	98.6	Very high	96.8	Very high	54 Å²	54	44.6 Å²	44.6	21%	0.212	22%	0.224	C	C	.	.			trans	-62.4	154.1	178	68	-92.4	0	0	0	113.2	H71 N72 Y94 N98 H115 Q117	H71-Y96 CarbonylContact C-O 3.53Å; H71-Y96 WeakPolarHBondContact CA-O 3.32Å; H71-Y96 HydrophobicContact CB-CD1 3.55Å; H71-Y96 HydrophobicContact CB-CD2 3.89Å; H71-Y96 HydrophobicContact CB-CE1 3.45Å; H71-Y96 VanDerWaalsContact CB-CE1 3.45Å; H71-Y96 HydrophobicContact CB-CE2 3.8Å; H71-Y96 HydrophobicContact CB-CG 3.76Å; H71-Y96 WeakPolarHBondContact CB-O 3.39Å; H71-Y96 AromaticContact CD2-CE1 3.83Å; H71-Y96 AromaticContact CD2-CZ 3.89Å; H71-Y96 AromaticContact CE1-CZ 3.95Å; H71-Y96 PolarHBondContact CE1-OH 3.29Å; H71-Y96 VanDerWaalsContact CE1-OH 3.3Å; H71-Y96 AromaticContact CG-CE1 3.53Å; H71-Y96 AromaticContact CG-CE2 3.89Å; H71-Y96 AromaticContact CG-CZ 3.37Å; H71-Y96 AromaticContact ND1-CE2 3.73Å; H71-Y96 AromaticContact ND1-CZ 3.41Å; H71-Y96 PolarHBondContact ND1-OH 2.95Å; N72-Y96 PolarHBondContact N-O 3.43Å; Y94-Y96 HydrophobicContact CD1-CD1 4.14Å; Y94-Y96 AromaticContact CD1-CE1 3.79Å; Y94-Y96 HydrophobicContact CD1-CE1 3.79Å; Y94-Y96 HydrophobicContact CG-CE1 4.3Å; Y96-N98 PolarHBondContact O-ND2 3Å; Y96-H115 HydrophobicContact CD1-CB 4.32Å; Y96-H115 PolarHBondContact N-O 2.87Å; Y96-Q117 WeakPolarHBondContact CA-O 3.44Å; Y96-Q117 VanDerWaalsContact CB-CD 3.43Å; Y96-Q117 WeakPolarHBondContact CB-O 3.23Å
97	G	98.3	Very high	97.1	Very high	19 Å²	19	39.2 Å²	39.2	20%	0.196	20%	0.195	C	C	.	.	S	Bend	trans	63.1	57.9	-177.8	0	0	0	0	0	112.3	N72 N73 Q117 E118	N72-G97 CarbonylContact C-O 3.56Å; N72-G97 WeakPolarHBondContact CA-O 3.4Å; N72-G97 PolarHBondContact N-O 3.04Å; N72-G97 VanDerWaalsContact N-O 3.15Å; N73-G97 PolarHBondContact N-O 3.34Å; G97-Q117 PolarHBondContact N-O 3.39Å; G97-E118 WeakPolarHBondContact CA-O 3.32Å; G97-E118 PolarHBondContact N-O 2.85Å
98	N	98.6	Very high	97.3	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.08	19%	0.19	C	C	.	.	S	Bend	trans	-135.3	-167.4	179.8	-90.6	-71.5	0	0	0	111	L70 N73 Q74 I75 L95 Y96 L100 E118 N119	L70-N98 PolarHBondContact O-ND2 3.27Å; N73-N98 WeakPolarHBondContact CA-OD1 3.36Å; N73-N98 WeakPolarHBondContact CB-OD1 3.34Å; Q74-N98 PolarHBondContact N-OD1 3.33Å; I75-N98 VanDerWaalsContact CB-OD1 3.31Å; I75-N98 WeakPolarHBondContact CB-OD1 3.21Å; I75-N98 WeakPolarHBondContact CG1-OD1 3.45Å; I75-N98 PolarHBondContact N-OD1 2.85Å; L95-N98 WeakPolarHBondContact O-CB 3.37Å; L95-N98 PolarHBondContact O-ND2 3.48Å; Y96-N98 PolarHBondContact O-ND2 3Å; N98-L100 HydrophobicContact CB-CG 4.3Å; N98-E118 PolarHBondContact N-O 2.87Å; N98-N119 VanDerWaalsContact CA-OD1 3.31Å; N98-N119 WeakPolarHBondContact CA-OD1 3.4Å; N98-N119 WeakPolarHBondContact CB-OD1 3.5Å; N98-N119 PolarHBondContact N-OD1 3.14Å; N98-N119 PolarHBondContact O-OD1 3.4Å
99	Q	98	Very high	97.4	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.491	18%	0.184	S	C	.	.			trans	-119.9	47.8	-177.1	-66.2	-178.6	-20.4	0	0	110.4	I75 N76	I75-Q99 CarbonylContact O-C 3.5Å; I75-Q99 WeakPolarHBondContact O-CA 3.31Å; I75-Q99 PolarHBondContact O-N 3.3Å; N76-Q99 VanDerWaalsContact CA-O 3.31Å; N76-Q99 WeakPolarHBondContact CA-O 3.46Å; N76-Q99 WeakPolarHBondContact CB-O 3.06Å
100	L	98.3	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-86.3	127.3	176.6	-54.4	177.1	0	0	0	110.3	I75 N77 F80 N98 P104 L116 N119 N120 I121	I75-L100 HydrophobicContact CG2-CD2 4.46Å; I75-L100 WeakPolarHBondContact O-CD2 3.46Å; N77-L100 WeakPolarHBondContact OD1-CA 3.33Å; F80-L100 HydrophobicContact CE2-CD2 3.53Å; F80-L100 HydrophobicContact CZ-CD2 3.9Å; N98-L100 HydrophobicContact CB-CG 4.3Å; L100-P104 HydrophobicContact CD1-CG 4.4Å; L100-L116 HydrophobicContact CD1-CD2 3.51Å; L100-N119 HydrophobicContact CB-CB 4.28Å; L100-N119 WeakPolarHBondContact CB-OD1 3.29Å; L100-N119 VanDerWaalsContact CG-OD1 3.29Å; L100-N119 WeakPolarHBondContact CG-OD1 3.41Å; L100-N119 PolarHBondContact N-OD1 3.22Å; L100-N120 CarbonylContact O-C 3.43Å; L100-N120 VanDerWaalsContact O-CA 3.24Å; L100-N120 WeakPolarHBondContact O-CA 3.4Å; L100-N120 PolarHBondContact O-N 3.14Å; L100-I121 HydrophobicContact CB-CD1 4.3Å; L100-I121 HydrophobicContact CB-CG1 3.89Å; L100-I121 HydrophobicContact CD1-CD1 4.48Å; L100-I121 PolarHBondContact O-N 3.09Å; L100-I121 VanDerWaalsContact O-N 3.08Å
101	D	97.4	Very high	97.6	Very high	74 Å²	74	37 Å²	37	40%	0.396	18%	0.18	S	C	.	.	S	Bend	trans	-101.1	-19.1	176	-66.5	-56.7	0	0	0	112.5	N77 N120 I121 Q122	N77-D101 PolarHBondContact OD1-N 3.02Å; D101-N120 PolarHBondContact OD1-ND2 3.39Å; D101-I121 WeakPolarHBondContact O-CA 3.48Å; D101-Q122 PolarHBondContact O-N 3.32Å
102	E	98.1	Very high	97.7	Very high	104 Å²	104	39.5 Å²	39.5	49%	0.486	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-133.8	167.3	178.2	-42.4	-160.1	108.3	0	0	111.1	N77 T123	N77-E102 VanDerWaalsContact ND2-C 3.3Å; N77-E102 WeakPolarHBondContact ND2-CB 3.36Å; N77-E102 PolarHBondContact ND2-O 2.89Å; N77-E102 PolarHBondContact OD1-N 2.8Å; E102-T123 WeakPolarHBondContact CB-OG1 3.13Å; E102-T123 VanDerWaalsContact CD-OG1 3.27Å; E102-T123 WeakPolarHBondContact CG-OG1 3.25Å; E102-T123 PolarHBondContact OE1-OG1 2.6Å
103	F	98.3	Very high	97.7	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.022	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-62.5	127.9	169.5	-164.4	-75.7	0	0	0	110.9	L107 L114 L116 T123 I124 A128 L129 L132 L138 L140	F103-L107 HydrophobicContact CE1-CD1 4.47Å; F103-L114 HydrophobicContact CE1-CD2 4.4Å; F103-L114 HydrophobicContact CE2-CD2 4.45Å; F103-L114 HydrophobicContact CZ-CD2 3.71Å; F103-L116 HydrophobicContact CD2-CD1 4.17Å; F103-L116 HydrophobicContact CE2-CD1 3.81Å; F103-L116 HydrophobicContact CZ-CD1 4.12Å; F103-T123 PolarHBondContact N-O 3.42Å; F103-I124 HydrophobicContact CB-CG1 4.37Å; F103-I124 HydrophobicContact CB-CG2 4.46Å; F103-I124 HydrophobicContact CD2-CG2 4.33Å; F103-A128 HydrophobicContact CD1-CB 3.59Å; F103-A128 HydrophobicContact CE1-CB 4.24Å; F103-A128 HydrophobicContact CG-CB 4.38Å; F103-L129 HydrophobicContact CD2-CD2 4.45Å; F103-L129 HydrophobicContact CE1-CD2 4.1Å; F103-L129 HydrophobicContact CE2-CD2 3.72Å; F103-L129 HydrophobicContact CE2-CG 4.45Å; F103-L129 HydrophobicContact CZ-CD2 3.51Å; F103-L129 HydrophobicContact CZ-CG 4.34Å; F103-L132 HydrophobicContact CE1-CD1 3.95Å; F103-L132 HydrophobicContact CZ-CD1 4.08Å; F103-L138 HydrophobicContact CE2-CD1 4.05Å; F103-L138 HydrophobicContact CE2-CD2 4.08Å; F103-L138 HydrophobicContact CZ-CD1 4.49Å; F103-L140 HydrophobicContact CD2-CD2 4.37Å
104	P	97.6	Very high	97.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-73	131.9	-171.7	27.6	-35.7	0	0	0	114.1	F80 L100 L107 L116	F80-P104 HydrophobicContact CD1-CB 4.07Å; F80-P104 HydrophobicContact CD2-CB 4.05Å; F80-P104 HydrophobicContact CE1-CB 3.71Å; F80-P104 HydrophobicContact CE1-CG 4.42Å; F80-P104 HydrophobicContact CE2-CB 3.7Å; F80-P104 HydrophobicContact CG-CB 4.24Å; F80-P104 HydrophobicContact CZ-CB 3.51Å; F80-P104 HydrophobicContact CZ-CG 4.26Å; L100-P104 HydrophobicContact CD1-CG 4.4Å; P104-L107 HydrophobicContact CB-CG 4.47Å; P104-L107 HydrophobicContact CG-CD1 3.81Å; P104-L107 HydrophobicContact CG-CG 4.25Å; P104-L116 HydrophobicContact CG-CD1 4.11Å; P104-L116 HydrophobicContact CG-CD2 3.84Å
105	M	96.8	Very high	97.7	Very high	72 Å²	72	37.6 Å²	37.6	36%	0.355	18%	0.18	S	C	.	.	S	Bend	trans	-80.3	166.2	171.8	-69	-69.4	-77.8	0	0	112	F80 L107 A128	F80-M105 VanDerWaalsContact CB-O 3.26Å; F80-M105 WeakPolarHBondContact CB-O 3.41Å; M105-L107 PolarHBondContact O-N 3.43Å; M105-A128 VanDerWaalsContact SD-CA 3.54Å; M105-A128 HydrophobicContact SD-CB 3.51Å; M105-A128 VanDerWaalsContact SD-CB 3.51Å
106	N	96.2	Very high	97.7	Very high	46 Å²	46	37.6 Å²	37.6	25%	0.246	18%	0.18	C	C	.	.	S	Bend	trans	63.4	19.3	173.4	-52.2	-35	0	0	0	115	F80 L84 H85	F80-N106 HydrophobicContact CB-CB 4.46Å; F80-N106 PolarHBondContact O-ND2 2.74Å; L84-N106 CarbonylContact C-O 3.43Å; L84-N106 WeakPolarHBondContact CB-O 3.49Å; H85-N106 WeakPolarHBondContact CA-O 3.44Å; H85-N106 PolarHBondContact N-O 3.32Å
107	L	97.3	Very high	97.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.177	C	C	.	.			trans	-64.3	153.7	172.5	-78.5	-178.7	0	0	0	111.9	F80 L84 H85 L95 F103 P104 M105 K109 L114 L132	F80-L107 HydrophobicContact CD1-CD2 4.2Å; F80-L107 HydrophobicContact CE1-CD2 3.92Å; L84-L107 HydrophobicContact CD2-CD2 4.35Å; H85-L107 PolarHBondContact ND1-O 2.97Å; L95-L107 HydrophobicContact CD1-CD2 3.88Å; F103-L107 HydrophobicContact CE1-CD1 4.47Å; P104-L107 HydrophobicContact CB-CG 4.47Å; P104-L107 HydrophobicContact CG-CD1 3.81Å; P104-L107 HydrophobicContact CG-CG 4.25Å; M105-L107 PolarHBondContact O-N 3.43Å; L107-K109 PolarHBondContact O-N 3.48Å; L107-L114 HydrophobicContact CD1-CD1 3.84Å; L107-L114 HydrophobicContact CD1-CD2 3.52Å; L107-L114 HydrophobicContact CD1-CG 4.36Å; L107-L132 HydrophobicContact CB-CD1 4.29Å; L107-L132 HydrophobicContact CB-CD2 3.91Å; L107-L132 HydrophobicContact CD1-CD1 3.98Å
108	P	96.4	Very high	97.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.			trans	-62.5	129.4	-175.2	-17.7	29.1	0	0	0	112.6	L84 V90 N110 V111	L84-P108 HydrophobicContact CD1-CG 3.99Å; L84-P108 HydrophobicContact CG-CG 4.02Å; V90-P108 HydrophobicContact CB-CB 4.05Å; V90-P108 HydrophobicContact CB-CG 4.12Å; V90-P108 HydrophobicContact CG1-CG 4.2Å; P108-N110 PolarHBondContact O-N 3.4Å; P108-V111 HydrophobicContact CB-CG2 4.04Å; P108-V111 HydrophobicContact CG-CG2 4.19Å; P108-V111 VanDerWaalsContact O-CG2 3.31Å; P108-V111 WeakPolarHBondContact O-CG2 3.21Å; P108-V111 PolarHBondContact O-N 2.92Å; P108-V111 VanDerWaalsContact O-N 3.11Å
109	K	94.4	Very high	97.7	Very high	109 Å²	109	40.6 Å²	40.6	47%	0.474	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20	-168.2	-167.5	167.9	-172.9	162.6	0	116.6	H85 L107	H85-K109 PolarHBondContact O-N 3.18Å; L107-K109 PolarHBondContact O-N 3.48Å
110	N	96.4	Very high	97.7	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	11.4	-176.5	-70	-33.6	0	0	0	114.1	Q88 V90 H91 P108 R112 K134	Q88-N110 WeakPolarHBondContact CB-ND2 3.43Å; Q88-N110 WeakPolarHBondContact O-CB 3.45Å; Q88-N110 PolarHBondContact O-ND2 3.25Å; V90-N110 CarbonylContact O-C 3.08Å; H91-N110 PolarHBondContact CD2-O 2.87Å; P108-N110 PolarHBondContact O-N 3.4Å; N110-R112 PolarHBondContact O-N 3.15Å; N110-K134 HydrophobicContact CB-CD 4.46Å; N110-K134 WeakPolarHBondContact OD1-CD 3.42Å; N110-K134 WeakPolarHBondContact OD1-CE 3.48Å; N110-K134 PolarHBondContact OD1-NZ 3.03Å
111	V	98.1	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.			trans	-58.6	133.3	174.7	172	0	0	0	0	110.7	V90 V93 P108 V113 L114 K134 L135	V90-V111 HydrophobicContact CG1-CG2 4.25Å; V90-V111 PolarHBondContact O-N 3.32Å; V93-V111 HydrophobicContact CG2-CG2 3.62Å; P108-V111 HydrophobicContact CB-CG2 4.04Å; P108-V111 HydrophobicContact CG-CG2 4.19Å; P108-V111 VanDerWaalsContact O-CG2 3.31Å; P108-V111 WeakPolarHBondContact O-CG2 3.21Å; P108-V111 PolarHBondContact O-N 2.92Å; P108-V111 VanDerWaalsContact O-N 3.11Å; V111-V113 WeakPolarHBondContact CG1-O 3.39Å; V111-L114 HydrophobicContact CG1-CB 4.1Å; V111-K134 CarbonylContact O-C 3.48Å; V111-K134 VanDerWaalsContact O-C 3.24Å; V111-L135 HydrophobicContact CG1-CD1 4.02Å; V111-L135 WeakPolarHBondContact O-CA 3.38Å; V111-L135 PolarHBondContact O-N 2.94Å
112	R	98.4	Very high	97.8	Very high	112 Å²	112	39.2 Å²	39.2	42%	0.423	18%	0.184	S	C	.	.			trans	-109.5	-34.1	175.2	-63.8	171.8	-175.9	-117.8	12.7	112	H91 N110 K134 E136 E137	H91-R112 PolarHBondContact CD2-NE 2.96Å; H91-R112 VanDerWaalsContact CD2-NE 3.35Å; H91-R112 PolarHBondContact O-N 2.03Å; N110-R112 PolarHBondContact O-N 3.15Å; R112-K134 WeakPolarHBondContact CA-O 3.46Å; R112-E136 HydrophobicContact CB-CB 4.47Å; R112-E136 HydrophobicContact CB-CG 4.16Å; R112-E136 VanDerWaalsContact CD-OE1 3.25Å; R112-E136 WeakPolarHBondContact CD-OE1 3.15Å; R112-E136 HydrophobicContact CG-CG 4.32Å; R112-E136 WeakPolarHBondContact CG-OE1 3.33Å; R112-E136 IonicContact CZ-OE1 2.67Å; R112-E136 IonicContact NE-OE1 2.74Å; R112-E136 IonicContact NH1-OE1 2.73Å; R112-E136 PolarHBondContact NH1-OE1 3.37Å; R112-E136 WeakPolarHBondContact O-CA 3.33Å; R112-E136 PolarHBondContact O-N 3.04Å; R112-E137 PolarHBondContact O-N 3.07Å
113	V	98.8	Very high	97.7	Very high	28 Å²	28	36.5 Å²	36.5	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.4	-177.6	-174	0	0	0	0	109.2	H91 T92 V93 V111 H115 E137	H91-V113 PolarHBondContact O-N 2.99Å; H91-V113 VanDerWaalsContact O-N 3.08Å; T92-V113 WeakPolarHBondContact CA-O 3.19Å; T92-V113 HydrophobicContact CG2-CB 4.07Å; T92-V113 HydrophobicContact CG2-CG1 4.29Å; V93-V113 PolarHBondContact N-O 3.14Å; V111-V113 WeakPolarHBondContact CG1-O 3.39Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.44Å; V113-E137 WeakPolarHBondContact CA-O 3.07Å; V113-E137 HydrophobicContact CG1-CB 4.26Å; V113-E137 HydrophobicContact CG1-CG 4.18Å; V113-E137 HydrophobicContact CG2-CB 4.23Å
114	L	98.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.1	-176.1	-179	56.3	0	0	0	110.6	V93 L95 F103 L107 V111 L116 L132 L135 E137 L138 H139	V93-L114 HydrophobicContact CB-CD1 3.97Å; V93-L114 HydrophobicContact CG1-CD1 4.2Å; L95-L114 HydrophobicContact CD1-CD1 4.46Å; F103-L114 HydrophobicContact CE1-CD2 4.4Å; F103-L114 HydrophobicContact CE2-CD2 4.45Å; F103-L114 HydrophobicContact CZ-CD2 3.71Å; L107-L114 HydrophobicContact CD1-CD1 3.84Å; L107-L114 HydrophobicContact CD1-CD2 3.52Å; L107-L114 HydrophobicContact CD1-CG 4.36Å; V111-L114 HydrophobicContact CG1-CB 4.1Å; L114-L116 HydrophobicContact CD1-CD1 4.32Å; L114-L116 HydrophobicContact CD1-CD2 4.47Å; L114-L116 HydrophobicContact CD1-CG 4.09Å; L114-L116 HydrophobicContact CD2-CD1 3.77Å; L114-L116 HydrophobicContact CD2-CG 4.41Å; L114-L116 HydrophobicContact CG-CD1 3.85Å; L114-L116 HydrophobicContact CG-CG 3.95Å; L114-L132 HydrophobicContact CD2-CD1 4Å; L114-L135 HydrophobicContact CB-CD1 3.63Å; L114-L135 HydrophobicContact CD2-CD1 4.46Å; L114-E137 PolarHBondContact N-O 3.46Å; L114-L138 HydrophobicContact CB-CD1 4.12Å; L114-L138 HydrophobicContact CD2-CD1 4.01Å; L114-L138 HydrophobicContact CG-CD1 4.07Å; L114-H139 PolarHBondContact O-N 3.05Å
115	H	98.9	Very high	97.7	Very high	21 Å²	21	37.8 Å²	37.8	10%	0.097	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	109.2	178.7	-62.4	-81.8	0	0	0	110.4	V93 Y94 L95 Y96 V113 Q117 H139	V93-H115 PolarHBondContact O-N 3.46Å; Y94-H115 HydrophobicContact CD1-CB 3.95Å; Y94-H115 AromaticContact CD1-CD2 3.25Å; Y94-H115 WeakPolarHBondContact CD1-CD2 3.44Å; Y94-H115 AromaticContact CD1-CG 3.7Å; Y94-H115 AromaticContact CD1-NE2 3.96Å; Y94-H115 AromaticContact CE1-CD2 3.13Å; Y94-H115 WeakPolarHBondContact CE1-CD2 3.15Å; Y94-H115 AromaticContact CE1-CG 3.87Å; Y94-H115 AromaticContact CE1-NE2 3.33Å; Y94-H115 VanDerWaalsContact CE1-NE2 3.33Å; Y94-H115 WeakPolarHBondContact CE1-NE2 3.31Å; Y94-H115 AromaticContact CZ-CD2 3.87Å; Y94-H115 AromaticContact CZ-NE2 3.89Å; L95-H115 CarbonylContact C-O 3.15Å; L95-H115 WeakPolarHBondContact CA-O 3.48Å; L95-H115 PolarHBondContact N-O 3.48Å; Y96-H115 HydrophobicContact CD1-CB 4.32Å; Y96-H115 PolarHBondContact N-O 2.87Å; V113-H115 WeakPolarHBondContact CG1-NE2 3.44Å; H115-Q117 VanDerWaalsContact CB-OE1 3.3Å; H115-H139 AromaticContact CE1-CD2 3.43Å; H115-H139 PolarHBondContact CE1-CD2 3.18Å; H115-H139 VanDerWaalsContact CE1-CD2 3.43Å; H115-H139 AromaticContact CE1-CE1 3.76Å; H115-H139 AromaticContact CE1-CG 3.97Å; H115-H139 AromaticContact CE1-NE2 3.29Å; H115-H139 PolarHBondContact CE1-NE2 2.93Å; H115-H139 VanDerWaalsContact CE1-NE2 3.29Å; H115-H139 AromaticContact ND1-CD2 3.24Å; H115-H139 PolarHBondContact ND1-CD2 3.08Å; H115-H139 AromaticContact ND1-CE1 3.88Å; H115-H139 AromaticContact ND1-CG 3.42Å; H115-H139 AromaticContact ND1-ND1 3.79Å; H115-H139 AromaticContact ND1-NE2 3.56Å
116	L	98.8	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.188	C	C	.	.			trans	-122.5	11.1	-179.1	-70.8	167.9	0	0	0	112.5	L95 L100 F103 P104 L114 N119 I121 L138 H139 L140 N143	L95-L116 HydrophobicContact CB-CD2 3.65Å; L95-L116 HydrophobicContact CD1-CD2 4.04Å; L95-L116 HydrophobicContact CG-CD2 4.49Å; L100-L116 HydrophobicContact CD1-CD2 3.51Å; F103-L116 HydrophobicContact CD2-CD1 4.17Å; F103-L116 HydrophobicContact CE2-CD1 3.81Å; F103-L116 HydrophobicContact CZ-CD1 4.12Å; P104-L116 HydrophobicContact CG-CD1 4.11Å; P104-L116 HydrophobicContact CG-CD2 3.84Å; L114-L116 HydrophobicContact CD1-CD1 4.32Å; L114-L116 HydrophobicContact CD1-CD2 4.47Å; L114-L116 HydrophobicContact CD1-CG 4.09Å; L114-L116 HydrophobicContact CD2-CD1 3.77Å; L114-L116 HydrophobicContact CD2-CG 4.41Å; L114-L116 HydrophobicContact CG-CD1 3.85Å; L114-L116 HydrophobicContact CG-CG 3.95Å; L116-N119 PolarHBondContact O-ND2 3.07Å; L116-N119 VanDerWaalsContact O-ND2 3.08Å; L116-I121 HydrophobicContact CB-CD1 4Å; L116-I121 HydrophobicContact CD1-CD1 4.31Å; L116-I121 HydrophobicContact CD2-CD1 4.44Å; L116-I121 HydrophobicContact CG-CD1 4.5Å; L116-L138 HydrophobicContact CD1-CD1 4.31Å; L116-H139 CarbonylContact C-O 3.6Å; L116-H139 WeakPolarHBondContact CA-O 3.28Å; L116-H139 WeakPolarHBondContact CB-O 3.34Å; L116-H139 PolarHBondContact N-O 3.06Å; L116-L140 HydrophobicContact CB-CD2 3.76Å; L116-L140 HydrophobicContact CD1-CD2 3.93Å; L116-N143 PolarHBondContact O-ND2 2.96Å
117	Q	98.4	Very high	97.7	Very high	31 Å²	31	40.5 Å²	40.5	15%	0.145	20%	0.2	C	C	.	.			trans	-61.3	165.2	178.5	74.6	-79.7	4	0	0	112.7	Y96 G97 H115 N119 H139 D141	Y96-Q117 WeakPolarHBondContact CA-O 3.44Å; Y96-Q117 VanDerWaalsContact CB-CD 3.43Å; Y96-Q117 WeakPolarHBondContact CB-O 3.23Å; G97-Q117 PolarHBondContact N-O 3.39Å; H115-Q117 VanDerWaalsContact CB-OE1 3.3Å; Q117-N119 PolarHBondContact O-N 3.29Å; Q117-N119 PolarHBondContact O-ND2 3.31Å; Q117-H139 PolarHBondContact N-O 3.26Å; Q117-D141 CarbonylContact C-O 3.56Å; Q117-D141 WeakPolarHBondContact CA-O 3.46Å; Q117-D141 HydrophobicContact CB-CB 4.01Å; Q117-D141 WeakPolarHBondContact CB-O 3.42Å
118	E	98.4	Very high	97.7	Very high	103 Å²	103	40.4 Å²	40.4	48%	0.481	20%	0.199	S	C	.	.	S	Bend	trans	56	53.6	179	-57.2	169.2	-94.8	0	0	112	G97 N98 D141 D142	G97-E118 WeakPolarHBondContact CA-O 3.32Å; G97-E118 PolarHBondContact N-O 2.85Å; N98-E118 PolarHBondContact N-O 2.87Å; E118-D141 PolarHBondContact N-O 3.25Å; E118-D141 VanDerWaalsContact N-O 3.07Å; E118-D142 WeakPolarHBondContact CA-O 3.41Å; E118-D142 HydrophobicContact CG-CB 4.16Å; E118-D142 PolarHBondContact N-O 2.99Å
119	N	98.4	Very high	97.8	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.091	20%	0.199	C	C	.	.	S	Bend	trans	-136.5	-172.9	177.6	-86.3	-86.7	0	0	0	109.5	L95 N98 L100 L116 Q117 I121 D142 N143	L95-N119 PolarHBondContact O-ND2 3.29Å; N98-N119 VanDerWaalsContact CA-OD1 3.31Å; N98-N119 WeakPolarHBondContact CA-OD1 3.4Å; N98-N119 WeakPolarHBondContact CB-OD1 3.5Å; N98-N119 PolarHBondContact N-OD1 3.14Å; N98-N119 PolarHBondContact O-OD1 3.4Å; L100-N119 HydrophobicContact CB-CB 4.28Å; L100-N119 WeakPolarHBondContact CB-OD1 3.29Å; L100-N119 VanDerWaalsContact CG-OD1 3.29Å; L100-N119 WeakPolarHBondContact CG-OD1 3.41Å; L100-N119 PolarHBondContact N-OD1 3.22Å; L116-N119 PolarHBondContact O-ND2 3.07Å; L116-N119 VanDerWaalsContact O-ND2 3.08Å; Q117-N119 PolarHBondContact O-N 3.29Å; Q117-N119 PolarHBondContact O-ND2 3.31Å; N119-I121 HydrophobicContact CB-CD1 4.41Å; N119-I121 HydrophobicContact CB-CG1 4.14Å; N119-D142 PolarHBondContact N-O 3.2Å; N119-N143 WeakPolarHBondContact CA-OD1 3.16Å; N119-N143 WeakPolarHBondContact CB-OD1 3.48Å; N119-N143 PolarHBondContact O-OD1 3.01Å
120	N	98.1	Very high	97.9	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.342	19%	0.192	S	C	.	.			trans	-112.2	28	176.9	-169.3	45.3	0	0	0	112.5	L100 D101 Q122 S144	L100-N120 CarbonylContact O-C 3.43Å; L100-N120 VanDerWaalsContact O-CA 3.24Å; L100-N120 WeakPolarHBondContact O-CA 3.4Å; L100-N120 PolarHBondContact O-N 3.14Å; D101-N120 PolarHBondContact OD1-ND2 3.39Å; N120-Q122 PolarHBondContact ND2-NE2 2.86Å; N120-Q122 VanDerWaalsContact ND2-NE2 3.16Å; N120-Q122 PolarHBondContact O-N 3.05Å; N120-Q122 VanDerWaalsContact O-N 3.14Å; N120-Q122 PolarHBondContact O-NE2 3.24Å; N120-S144 WeakPolarHBondContact OD1-CB 3.26Å; N120-S144 PolarHBondContact OD1-OG 3.41Å
121	I	98.6	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	-61.8	122.1	-173.7	-61.9	173.3	0	0	0	108.8	L100 D101 L116 N119 I124 L140 N143 S144 I145	L100-I121 HydrophobicContact CB-CD1 4.3Å; L100-I121 HydrophobicContact CB-CG1 3.89Å; L100-I121 HydrophobicContact CD1-CD1 4.48Å; L100-I121 PolarHBondContact O-N 3.09Å; L100-I121 VanDerWaalsContact O-N 3.08Å; D101-I121 WeakPolarHBondContact O-CA 3.48Å; L116-I121 HydrophobicContact CB-CD1 4Å; L116-I121 HydrophobicContact CD1-CD1 4.31Å; L116-I121 HydrophobicContact CD2-CD1 4.44Å; L116-I121 HydrophobicContact CG-CD1 4.5Å; N119-I121 HydrophobicContact CB-CD1 4.41Å; N119-I121 HydrophobicContact CB-CG1 4.14Å; I121-I124 HydrophobicContact CG2-CG1 4.38Å; I121-L140 HydrophobicContact CD1-CD2 3.84Å; I121-N143 VanDerWaalsContact CB-OD1 3.23Å; I121-N143 WeakPolarHBondContact CB-OD1 3.49Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.35Å; I121-N143 PolarHBondContact N-OD1 3.16Å; I121-S144 CarbonylContact O-C 3.57Å; I121-S144 VanDerWaalsContact O-CA 3.31Å; I121-S144 WeakPolarHBondContact O-CA 3.03Å; I121-S144 PolarHBondContact O-N 3.45Å; I121-I145 HydrophobicContact CB-CG1 4.41Å; I121-I145 HydrophobicContact CG2-CG1 4.1Å; I121-I145 VanDerWaalsContact O-CG1 3.26Å; I121-I145 WeakPolarHBondContact O-CG1 3.17Å; I121-I145 PolarHBondContact O-N 2.93Å
122	Q	97.7	Very high	97.8	Very high	86 Å²	86	38.1 Å²	38.1	40%	0.402	20%	0.196	S	C	.	.			trans	-109.1	-38.1	178.4	-74.3	159.2	81	0	0	111.2	D101 N120 G149	D101-Q122 PolarHBondContact O-N 3.32Å; N120-Q122 PolarHBondContact ND2-NE2 2.86Å; N120-Q122 VanDerWaalsContact ND2-NE2 3.16Å; N120-Q122 PolarHBondContact O-N 3.05Å; N120-Q122 VanDerWaalsContact O-N 3.14Å; N120-Q122 PolarHBondContact O-NE2 3.24Å; Q122-G149 WeakPolarHBondContact O-CA 3.24Å
123	T	97.4	Very high	97.8	Very high	48 Å²	48	36.6 Å²	36.6	29%	0.294	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-113.5	142.3	-174.5	57.3	0	0	0	0	112.8	E102 F103 G149	E102-T123 WeakPolarHBondContact CB-OG1 3.13Å; E102-T123 VanDerWaalsContact CD-OG1 3.27Å; E102-T123 WeakPolarHBondContact CG-OG1 3.25Å; E102-T123 PolarHBondContact OE1-OG1 2.6Å; F103-T123 PolarHBondContact N-O 3.42Å; T123-G149 CarbonylContact C-O 3.53Å; T123-G149 VanDerWaalsContact CA-O 3.25Å; T123-G149 WeakPolarHBondContact CA-O 3.41Å
124	I	98.1	Very high	97.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-131.4	105	175.9	-60.1	-176.8	0	0	0	108.3	F103 I121 L129 L140 I145 G149 V150 E151 A154 F155	F103-I124 HydrophobicContact CB-CG1 4.37Å; F103-I124 HydrophobicContact CB-CG2 4.46Å; F103-I124 HydrophobicContact CD2-CG2 4.33Å; I121-I124 HydrophobicContact CG2-CG1 4.38Å; I124-L129 HydrophobicContact CG2-CD1 3.56Å; I124-L129 HydrophobicContact CG2-CG 4.34Å; I124-L140 HydrophobicContact CD1-CD1 3.76Å; I124-I145 HydrophobicContact CD1-CD1 3.78Å; I124-I145 HydrophobicContact CD1-CG1 4.25Å; I124-I145 HydrophobicContact CD1-CG2 4.13Å; I124-G149 PolarHBondContact N-O 3.36Å; I124-V150 HydrophobicContact CB-CG2 4.47Å; I124-V150 HydrophobicContact CD1-CG2 4.39Å; I124-E151 PolarHBondContact O-N 2.82Å; I124-A154 HydrophobicContact CG2-CB 4.28Å; I124-F155 HydrophobicContact CD1-CE1 4.13Å; I124-F155 HydrophobicContact CD1-CZ 3.62Å
125	S	97.1	Very high	97.7	Very high	31 Å²	31	40.1 Å²	40.1	22%	0.217	21%	0.209	C	C	.	.			trans	-86.3	143.5	178.7	67.6	0	0	0	0	112.6	A127 A128 L129 E151	S125-A127 PolarHBondContact O-N 3.01Å; S125-A128 PolarHBondContact O-N 3.49Å; S125-A128 PolarHBondContact OG-N 3.47Å; S125-L129 PolarHBondContact O-N 3.24Å; S125-E151 VanDerWaalsContact CA-CD 3.49Å; S125-E151 VanDerWaalsContact CB-OE1 3.25Å; S125-E151 WeakPolarHBondContact CB-OE1 3.46Å
126	R	96.9	Very high	97.7	Very high	117 Å²	117	41.4 Å²	41.4	44%	0.442	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-35.6	174	-172.5	177.4	178.5	-149.4	-8.5	111.3	A128 A130 E151 A154 E157	R126-A128 VanDerWaalsContact C-N 3.34Å; R126-A128 PolarHBondContact O-N 2.92Å; R126-A130 WeakPolarHBondContact O-CB 3.35Å; R126-A130 PolarHBondContact O-N 3.41Å; R126-A130 VanDerWaalsContact O-N 3.09Å; R126-E151 HydrophobicContact CB-CB 4.36Å; R126-E151 WeakPolarHBondContact CB-OE2 3.13Å; R126-E151 PolarHBondContact N-OE2 3.02Å; R126-A154 HydrophobicContact CB-CB 4.18Å; R126-E157 HydrophobicContact CG-CG 3.47Å; R126-E157 VanDerWaalsContact CG-CG 3.47Å; R126-E157 IonicContact CZ-OE1 2.78Å; R126-E157 IonicContact NE-OE1 2.71Å; R126-E157 PolarHBondContact NE-OE1 3.31Å; R126-E157 IonicContact NH2-OE1 2.73Å; R126-E157 PolarHBondContact NH2-OE1 3.24Å
127	A	96.1	Very high	97.7	Very high	59 Å²	59	43.9 Å²	43.9	49%	0.488	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-35.6	178.1	0	0	0	0	0	113.4	S125	S125-A127 PolarHBondContact O-N 3.01Å
128	A	96.9	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-73.6	-46.7	180	0	0	0	0	0	112	F103 M105 S125 R126 A130 Q131	F103-A128 HydrophobicContact CD1-CB 3.59Å; F103-A128 HydrophobicContact CE1-CB 4.24Å; F103-A128 HydrophobicContact CG-CB 4.38Å; M105-A128 VanDerWaalsContact SD-CA 3.54Å; M105-A128 HydrophobicContact SD-CB 3.51Å; M105-A128 VanDerWaalsContact SD-CB 3.51Å; S125-A128 PolarHBondContact O-N 3.49Å; S125-A128 PolarHBondContact OG-N 3.47Å; R126-A128 VanDerWaalsContact C-N 3.34Å; R126-A128 PolarHBondContact O-N 2.92Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 2.85Å; A128-Q131 VanDerWaalsContact O-CB 3.32Å; A128-Q131 WeakPolarHBondContact O-CB 3.44Å; A128-Q131 PolarHBondContact O-N 3.2Å; A128-Q131 VanDerWaalsContact O-N 3.07Å
129	L	97.8	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-31.8	179.5	-72.6	169.3	0	0	0	112.5	F103 I124 S125 Q131 L132 L135 L138 A154 F155 E157 A158	F103-L129 HydrophobicContact CD2-CD2 4.45Å; F103-L129 HydrophobicContact CE1-CD2 4.1Å; F103-L129 HydrophobicContact CE2-CD2 3.72Å; F103-L129 HydrophobicContact CE2-CG 4.45Å; F103-L129 HydrophobicContact CZ-CD2 3.51Å; F103-L129 HydrophobicContact CZ-CG 4.34Å; I124-L129 HydrophobicContact CG2-CD1 3.56Å; I124-L129 HydrophobicContact CG2-CG 4.34Å; S125-L129 PolarHBondContact O-N 3.24Å; L129-Q131 PolarHBondContact O-N 2.7Å; L129-L132 PolarHBondContact O-N 2.99Å; L129-L135 HydrophobicContact CD2-CD2 4.34Å; L129-L138 HydrophobicContact CD2-CD2 4.23Å; L129-A154 HydrophobicContact CD1-CB 4.16Å; L129-A154 WeakPolarHBondContact CD1-O 3.35Å; L129-F155 HydrophobicContact CD1-CD1 3.86Å; L129-F155 HydrophobicContact CD1-CE1 4.28Å; L129-F155 HydrophobicContact CD1-CG 4.46Å; L129-E157 HydrophobicContact CB-CB 4.48Å; L129-A158 HydrophobicContact CD2-CB 4.42Å
130	A	96.9	Very high	97.8	Very high	39 Å²	39	38.3 Å²	38.3	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	171.4	0	0	0	0	0	114.3	R126 A128 L132 E157	R126-A130 WeakPolarHBondContact O-CB 3.35Å; R126-A130 PolarHBondContact O-N 3.41Å; R126-A130 VanDerWaalsContact O-N 3.09Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 2.85Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-E157 HydrophobicContact CB-CB 4.07Å; A130-E157 HydrophobicContact CB-CG 4.33Å
131	Q	96.6	Very high	97.8	Very high	41 Å²	41	36.3 Å²	36.3	19%	0.192	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.9	171.5	-60.1	-168.1	-18.3	0	0	112.9	A128 L129	A128-Q131 VanDerWaalsContact O-CB 3.32Å; A128-Q131 WeakPolarHBondContact O-CB 3.44Å; A128-Q131 PolarHBondContact O-N 3.2Å; A128-Q131 VanDerWaalsContact O-N 3.07Å; L129-Q131 PolarHBondContact O-N 2.7Å
132	L	97.3	Very high	97.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.206	C	C	.	.			trans	-118.3	46	-164.5	-59.7	179.8	0	0	0	112.8	F103 L107 L114 L129 A130 K134 L135	F103-L132 HydrophobicContact CE1-CD1 3.95Å; F103-L132 HydrophobicContact CZ-CD1 4.08Å; L107-L132 HydrophobicContact CB-CD1 4.29Å; L107-L132 HydrophobicContact CB-CD2 3.91Å; L107-L132 HydrophobicContact CD1-CD1 3.98Å; L114-L132 HydrophobicContact CD2-CD1 4Å; L129-L132 PolarHBondContact O-N 2.99Å; A130-L132 VanDerWaalsContact C-N 3.27Å; L132-K134 PolarHBondContact O-N 2.83Å; L132-L135 HydrophobicContact CB-CB 4.19Å; L132-L135 HydrophobicContact CD1-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.23Å; L132-L135 WeakPolarHBondContact O-CB 3.37Å; L132-L135 PolarHBondContact O-N 3.02Å
133	L	96.8	Very high	97.8	Very high	81 Å²	81	35.7 Å²	35.7	42%	0.424	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-14.2	-176.4	-55.4	177.4	0	0	0	115.5	E157 V159 S160	L133-E157 WeakPolarHBondContact CD2-O 3.46Å; L133-V159 HydrophobicContact CB-CG2 4.36Å; L133-V159 HydrophobicContact CD2-CG2 4.46Å; L133-S160 WeakPolarHBondContact O-CB 3.44Å; L133-S160 PolarHBondContact O-OG 2.66Å
134	K	98.1	Very high	97.9	Very high	102 Å²	102	34.7 Å²	34.7	44%	0.443	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	5.1	177.6	-69.3	-175.1	-175.7	166.7	0	114.4	N110 V111 R112 L132 E136	N110-K134 HydrophobicContact CB-CD 4.46Å; N110-K134 WeakPolarHBondContact OD1-CD 3.42Å; N110-K134 WeakPolarHBondContact OD1-CE 3.48Å; N110-K134 PolarHBondContact OD1-NZ 3.03Å; V111-K134 CarbonylContact O-C 3.48Å; V111-K134 VanDerWaalsContact O-C 3.24Å; R112-K134 WeakPolarHBondContact CA-O 3.46Å; L132-K134 PolarHBondContact O-N 2.83Å; K134-E136 WeakPolarHBondContact O-CG 3.42Å; K134-E136 PolarHBondContact O-N 2.83Å
135	L	98.6	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.			trans	-64.2	122.2	177.6	-170.1	65.3	0	0	0	109.6	V111 L114 L129 L132 L138 S160 L161	V111-L135 HydrophobicContact CG1-CD1 4.02Å; V111-L135 WeakPolarHBondContact O-CA 3.38Å; V111-L135 PolarHBondContact O-N 2.94Å; L114-L135 HydrophobicContact CB-CD1 3.63Å; L114-L135 HydrophobicContact CD2-CD1 4.46Å; L129-L135 HydrophobicContact CD2-CD2 4.34Å; L132-L135 HydrophobicContact CB-CB 4.19Å; L132-L135 HydrophobicContact CD1-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.23Å; L132-L135 WeakPolarHBondContact O-CB 3.37Å; L132-L135 PolarHBondContact O-N 3.02Å; L135-L138 HydrophobicContact CD2-CB 4.09Å; L135-L138 HydrophobicContact CD2-CD1 4.37Å; L135-L138 HydrophobicContact CD2-CD2 4.02Å; L135-L138 HydrophobicContact CD2-CG 4.4Å; L135-S160 CarbonylContact O-C 3.23Å; L135-S160 WeakPolarHBondContact O-CB 3.42Å; L135-L161 HydrophobicContact CD2-CD1 4.22Å; L135-L161 HydrophobicContact CG-CD1 3.97Å; L135-L161 WeakPolarHBondContact O-CA 3.37Å; L135-L161 PolarHBondContact O-N 2.6Å
136	E	98.7	Very high	97.9	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.22	19%	0.188	C	C	.	.			trans	-106.6	-28.9	-179.2	-56.6	-170.6	-123.8	0	0	111.6	R112 K134 K162 L163	R112-E136 HydrophobicContact CB-CB 4.47Å; R112-E136 HydrophobicContact CB-CG 4.16Å; R112-E136 VanDerWaalsContact CD-OE1 3.25Å; R112-E136 WeakPolarHBondContact CD-OE1 3.15Å; R112-E136 HydrophobicContact CG-CG 4.32Å; R112-E136 WeakPolarHBondContact CG-OE1 3.33Å; R112-E136 IonicContact CZ-OE1 2.67Å; R112-E136 IonicContact NE-OE1 2.74Å; R112-E136 IonicContact NH1-OE1 2.73Å; R112-E136 PolarHBondContact NH1-OE1 3.37Å; R112-E136 WeakPolarHBondContact O-CA 3.33Å; R112-E136 PolarHBondContact O-N 3.04Å; K134-E136 WeakPolarHBondContact O-CG 3.42Å; K134-E136 PolarHBondContact O-N 2.83Å; E136-K162 PolarHBondContact O-N 3.1Å; E136-K162 IonicContact OE2-NZ 2.69Å; E136-K162 PolarHBondContact OE2-NZ 3.2Å; E136-L163 PolarHBondContact O-N 3.07Å
137	E	98.8	Very high	97.8	Very high	53 Å²	53	31.5 Å²	31.5	25%	0.248	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	126.5	-174	-179.1	177.9	152	0	0	111.1	R112 V113 L114 H139 L163 F165	R112-E137 PolarHBondContact O-N 3.07Å; V113-E137 WeakPolarHBondContact CA-O 3.07Å; V113-E137 HydrophobicContact CG1-CB 4.26Å; V113-E137 HydrophobicContact CG1-CG 4.18Å; V113-E137 HydrophobicContact CG2-CB 4.23Å; L114-E137 PolarHBondContact N-O 3.46Å; E137-H139 IonicContact OE1-CD2 3.69Å; E137-H139 IonicContact OE1-CE1 2.72Å; E137-H139 IonicContact OE1-NE2 3.9Å; E137-H139 PolarHBondContact OE1-NE2 3.23Å; E137-L163 WeakPolarHBondContact CA-O 3.43Å; E137-L163 HydrophobicContact CB-CB 4.16Å; E137-L163 HydrophobicContact CG-CB 3.92Å; E137-L163 HydrophobicContact CG-CD2 4.03Å; E137-F165 HydrophobicContact CG-CE2 4.14Å
138	L	98.9	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	119.8	-175.3	177	54.9	0	0	0	111.2	F103 L114 L116 L129 L135 L140 F155 L161 L163 L164 F165	F103-L138 HydrophobicContact CE2-CD1 4.05Å; F103-L138 HydrophobicContact CE2-CD2 4.08Å; F103-L138 HydrophobicContact CZ-CD1 4.49Å; L114-L138 HydrophobicContact CB-CD1 4.12Å; L114-L138 HydrophobicContact CD2-CD1 4.01Å; L114-L138 HydrophobicContact CG-CD1 4.07Å; L116-L138 HydrophobicContact CD1-CD1 4.31Å; L129-L138 HydrophobicContact CD2-CD2 4.23Å; L135-L138 HydrophobicContact CD2-CB 4.09Å; L135-L138 HydrophobicContact CD2-CD1 4.37Å; L135-L138 HydrophobicContact CD2-CD2 4.02Å; L135-L138 HydrophobicContact CD2-CG 4.4Å; L138-L140 HydrophobicContact CD1-CD1 4.17Å; L138-L140 HydrophobicContact CD1-CG 3.96Å; L138-L140 HydrophobicContact CD2-CD1 3.76Å; L138-L140 HydrophobicContact CD2-CG 4.44Å; L138-L140 HydrophobicContact CG-CD1 3.87Å; L138-L140 HydrophobicContact CG-CG 4.03Å; L138-F155 HydrophobicContact CD2-CE1 4.3Å; L138-L161 HydrophobicContact CB-CD1 3.74Å; L138-L161 HydrophobicContact CD2-CD2 4.49Å; L138-L163 PolarHBondContact N-O 3.49Å; L138-L164 HydrophobicContact CB-CD1 4.3Å; L138-L164 HydrophobicContact CD2-CD1 4Å; L138-L164 HydrophobicContact CG-CD1 4.16Å; L138-F165 PolarHBondContact O-N 3Å
139	H	98.9	Very high	97.7	Very high	33 Å²	33	36 Å²	36	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120	174.6	-56	-120.2	0	0	0	109.6	L114 H115 L116 Q117 E137 F165	L114-H139 PolarHBondContact O-N 3.05Å; H115-H139 AromaticContact CE1-CD2 3.43Å; H115-H139 PolarHBondContact CE1-CD2 3.18Å; H115-H139 VanDerWaalsContact CE1-CD2 3.43Å; H115-H139 AromaticContact CE1-CE1 3.76Å; H115-H139 AromaticContact CE1-CG 3.97Å; H115-H139 AromaticContact CE1-NE2 3.29Å; H115-H139 PolarHBondContact CE1-NE2 2.93Å; H115-H139 VanDerWaalsContact CE1-NE2 3.29Å; H115-H139 AromaticContact ND1-CD2 3.24Å; H115-H139 PolarHBondContact ND1-CD2 3.08Å; H115-H139 AromaticContact ND1-CE1 3.88Å; H115-H139 AromaticContact ND1-CG 3.42Å; H115-H139 AromaticContact ND1-ND1 3.79Å; H115-H139 AromaticContact ND1-NE2 3.56Å; L116-H139 CarbonylContact C-O 3.6Å; L116-H139 WeakPolarHBondContact CA-O 3.28Å; L116-H139 WeakPolarHBondContact CB-O 3.34Å; L116-H139 PolarHBondContact N-O 3.06Å; Q117-H139 PolarHBondContact N-O 3.26Å; E137-H139 IonicContact OE1-CD2 3.69Å; E137-H139 IonicContact OE1-CE1 2.72Å; E137-H139 IonicContact OE1-NE2 3.9Å; E137-H139 PolarHBondContact OE1-NE2 3.23Å; H139-F165 HydrophobicContact CB-CD2 4.48Å; H139-F165 AromaticContact CD2-CD2 3.85Å; H139-F165 AromaticContact CE1-CD2 3.53Å; H139-F165 AromaticContact CE1-CE2 3.47Å; H139-F165 VanDerWaalsContact CE1-CE2 3.47Å; H139-F165 WeakPolarHBondContact CE1-CE2 3.25Å; H139-F165 AromaticContact CG-CD2 3.71Å; H139-F165 AromaticContact ND1-CD2 3.56Å; H139-F165 AromaticContact ND1-CE2 4Å; H139-F165 AromaticContact NE2-CD2 3.73Å; H139-F165 AromaticContact NE2-CE2 3.58Å
140	L	98.8	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.			trans	-130.6	23.8	179.3	-75.6	166.3	0	0	0	110.9	F103 L116 I121 I124 L138 N143 I145 F155 F165 L166 N169	F103-L140 HydrophobicContact CD2-CD2 4.37Å; L116-L140 HydrophobicContact CB-CD2 3.76Å; L116-L140 HydrophobicContact CD1-CD2 3.93Å; I121-L140 HydrophobicContact CD1-CD2 3.84Å; I124-L140 HydrophobicContact CD1-CD1 3.76Å; L138-L140 HydrophobicContact CD1-CD1 4.17Å; L138-L140 HydrophobicContact CD1-CG 3.96Å; L138-L140 HydrophobicContact CD2-CD1 3.76Å; L138-L140 HydrophobicContact CD2-CG 4.44Å; L138-L140 HydrophobicContact CG-CD1 3.87Å; L138-L140 HydrophobicContact CG-CG 4.03Å; L140-N143 WeakPolarHBondContact O-CB 3.31Å; L140-N143 PolarHBondContact O-ND2 3.41Å; L140-I145 HydrophobicContact CB-CD1 3.83Å; L140-I145 HydrophobicContact CD1-CD1 4.17Å; L140-I145 HydrophobicContact CD2-CD1 4.28Å; L140-I145 HydrophobicContact CG-CD1 4.33Å; L140-F155 HydrophobicContact CD1-CE1 4.24Å; L140-F165 WeakPolarHBondContact CA-O 3.37Å; L140-F165 WeakPolarHBondContact CB-O 3.31Å; L140-F165 PolarHBondContact N-O 3.01Å; L140-L166 HydrophobicContact CB-CD2 3.8Å; L140-L166 HydrophobicContact CD1-CD2 3.88Å; L140-N169 PolarHBondContact O-ND2 3.26Å
141	D	98.5	Very high	97.6	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.118	21%	0.213	C	C	.	.			trans	-69.5	160.9	-177	-46	-89.2	0	0	0	112.2	Q117 E118 N143 F165 S167	Q117-D141 CarbonylContact C-O 3.56Å; Q117-D141 WeakPolarHBondContact CA-O 3.46Å; Q117-D141 HydrophobicContact CB-CB 4.01Å; Q117-D141 WeakPolarHBondContact CB-O 3.42Å; E118-D141 PolarHBondContact N-O 3.25Å; E118-D141 VanDerWaalsContact N-O 3.07Å; D141-N143 PolarHBondContact O-N 3.05Å; D141-N143 PolarHBondContact O-ND2 3.27Å; D141-F165 VanDerWaalsContact OD1-CB 3.3Å; D141-F165 WeakPolarHBondContact OD1-CB 3.2Å; D141-F165 VanDerWaalsContact OD2-CB 3.23Å; D141-F165 WeakPolarHBondContact OD2-CB 3.47Å; D141-S167 CarbonylContact C-O 3.6Å; D141-S167 VanDerWaalsContact CA-O 3.24Å; D141-S167 WeakPolarHBondContact CA-O 3.33Å; D141-S167 WeakPolarHBondContact OD1-CB 3.46Å; D141-S167 PolarHBondContact OD1-N 3.28Å
142	D	98.5	Very high	97.5	Very high	67 Å²	67	44.9 Å²	44.9	36%	0.358	24%	0.242	S	C	.	.	S	Bend	trans	48.6	57.8	-179	-70.6	-87	0	0	0	111.7	E118 N119 S167 K168	E118-D142 WeakPolarHBondContact CA-O 3.41Å; E118-D142 HydrophobicContact CG-CB 4.16Å; E118-D142 PolarHBondContact N-O 2.99Å; N119-D142 PolarHBondContact N-O 3.2Å; D142-S167 PolarHBondContact N-O 3.33Å; D142-S167 VanDerWaalsContact N-O 3.11Å; D142-K168 WeakPolarHBondContact OD1-CD 3.21Å; D142-K168 IonicContact OD1-NZ 2.66Å; D142-K168 PolarHBondContact OD1-NZ 3.43Å; D142-K168 WeakPolarHBondContact OD2-CD 3.46Å; D142-K168 IonicContact OD2-NZ 2.7Å; D142-K168 PolarHBondContact OD2-NZ 3.24Å
143	N	98.6	Very high	97.3	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.244	C	C	.	.	S	Bend	trans	-138	179	-178.3	-91.7	-88.3	0	0	0	111.1	L116 N119 I121 L140 D141 I145 K168 N169	L116-N143 PolarHBondContact O-ND2 2.96Å; N119-N143 WeakPolarHBondContact CA-OD1 3.16Å; N119-N143 WeakPolarHBondContact CB-OD1 3.48Å; N119-N143 PolarHBondContact O-OD1 3.01Å; I121-N143 VanDerWaalsContact CB-OD1 3.23Å; I121-N143 WeakPolarHBondContact CB-OD1 3.49Å; I121-N143 WeakPolarHBondContact CG1-OD1 3.35Å; I121-N143 PolarHBondContact N-OD1 3.16Å; L140-N143 WeakPolarHBondContact O-CB 3.31Å; L140-N143 PolarHBondContact O-ND2 3.41Å; D141-N143 PolarHBondContact O-N 3.05Å; D141-N143 PolarHBondContact O-ND2 3.27Å; N143-I145 HydrophobicContact CB-CD1 4.34Å; N143-I145 HydrophobicContact CB-CG1 4.3Å; N143-K168 PolarHBondContact N-O 3.35Å; N143-N169 WeakPolarHBondContact CB-OD1 3.45Å; N143-N169 PolarHBondContact O-OD1 3.24Å
144	S	98.2	Very high	97.3	Very high	27 Å²	27	41.1 Å²	41.1	19%	0.189	22%	0.224	C	C	.	.			trans	-101	13.7	-173.9	-74	0	0	0	0	114.3	N120 I121 S146 H170	N120-S144 WeakPolarHBondContact OD1-CB 3.26Å; N120-S144 PolarHBondContact OD1-OG 3.41Å; I121-S144 CarbonylContact O-C 3.57Å; I121-S144 VanDerWaalsContact O-CA 3.31Å; I121-S144 WeakPolarHBondContact O-CA 3.03Å; I121-S144 PolarHBondContact O-N 3.45Å; S144-S146 PolarHBondContact O-N 3.32Å; S144-H170 WeakPolarHBondContact CA-ND1 3.48Å; S144-H170 PolarHBondContact O-ND1 2.99Å
145	I	98.4	Very high	97.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.			trans	-65.3	126.9	-167.4	-55.7	159.8	0	0	0	110.4	I121 I124 L140 N143 V150 L166 N169 H170 L171	I121-I145 HydrophobicContact CB-CG1 4.41Å; I121-I145 HydrophobicContact CG2-CG1 4.1Å; I121-I145 VanDerWaalsContact O-CG1 3.26Å; I121-I145 WeakPolarHBondContact O-CG1 3.17Å; I121-I145 PolarHBondContact O-N 2.93Å; I124-I145 HydrophobicContact CD1-CD1 3.78Å; I124-I145 HydrophobicContact CD1-CG1 4.25Å; I124-I145 HydrophobicContact CD1-CG2 4.13Å; L140-I145 HydrophobicContact CB-CD1 3.83Å; L140-I145 HydrophobicContact CD1-CD1 4.17Å; L140-I145 HydrophobicContact CD2-CD1 4.28Å; L140-I145 HydrophobicContact CG-CD1 4.33Å; N143-I145 HydrophobicContact CB-CD1 4.34Å; N143-I145 HydrophobicContact CB-CG1 4.3Å; I145-V150 HydrophobicContact CG2-CG2 3.69Å; I145-L166 HydrophobicContact CD1-CD2 3.71Å; I145-N169 HydrophobicContact CB-CB 4.33Å; I145-N169 WeakPolarHBondContact CB-OD1 3.42Å; I145-N169 WeakPolarHBondContact CD1-OD1 3.48Å; I145-N169 WeakPolarHBondContact CG1-OD1 3.26Å; I145-N169 PolarHBondContact N-OD1 3.29Å; I145-H170 CarbonylContact O-C 3.1Å; I145-H170 WeakPolarHBondContact O-CA 3.41Å; I145-H170 WeakPolarHBondContact O-CB 3.17Å; I145-H170 PolarHBondContact O-N 2.95Å; I145-L171 HydrophobicContact CG2-CD2 4.16Å; I145-L171 PolarHBondContact O-N 3.11Å
146	S	97.2	Very high	97.2	Very high	43 Å²	43	41.8 Å²	41.8	30%	0.301	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-110.3	159.3	173	74.3	0	0	0	0	111.5	S144 V148 G149 V150 H170	S144-S146 PolarHBondContact O-N 3.32Å; S146-V148 PolarHBondContact O-N 3.31Å; S146-V148 VanDerWaalsContact O-N 3.15Å; S146-G149 PolarHBondContact O-N 3.21Å; S146-G149 PolarHBondContact OG-N 3.16Å; S146-V150 PolarHBondContact O-N 3.08Å; S146-H170 WeakPolarHBondContact CA-O 3.25Å
147	T	94.9	Very high	97.1	Very high	39 Å²	39	41.6 Å²	41.6	24%	0.239	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.1	177.8	-56.5	0	0	0	0	112.5	S172 S173	T147-S172 PolarHBondContact OG1-N 3.45Å; T147-S173 WeakPolarHBondContact CG2-OG 3.47Å; T147-S173 PolarHBondContact OG1-N 2.76Å; T147-S173 PolarHBondContact OG1-O 2.76Å
148	V	95.1	Very high	97	Very high	141 Å²	141	39.1 Å²	39.1	86%	0.855	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.3	178.6	-177.8	0	0	0	0	112.4	S146	S146-V148 PolarHBondContact O-N 3.31Å; S146-V148 VanDerWaalsContact O-N 3.15Å
149	G	95.3	Very high	96.9	Very high	13 Å²	13	43.3 Å²	43.3	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-15.6	176.3	0	0	0	0	0	114.2	Q122 T123 I124 S146	Q122-G149 WeakPolarHBondContact O-CA 3.24Å; T123-G149 CarbonylContact C-O 3.53Å; T123-G149 VanDerWaalsContact CA-O 3.25Å; T123-G149 WeakPolarHBondContact CA-O 3.41Å; I124-G149 PolarHBondContact N-O 3.36Å; S146-G149 PolarHBondContact O-N 3.21Å; S146-G149 PolarHBondContact OG-N 3.16Å
150	V	97.9	Very high	96.9	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.097	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-90.2	118.7	176.4	-177.2	0	0	0	0	109.2	I124 I145 S146 A154 F155 P175	I124-V150 HydrophobicContact CB-CG2 4.47Å; I124-V150 HydrophobicContact CD1-CG2 4.39Å; I145-V150 HydrophobicContact CG2-CG2 3.69Å; S146-V150 PolarHBondContact O-N 3.08Å; V150-A154 HydrophobicContact CG1-CB 4.39Å; V150-F155 HydrophobicContact CG1-CD2 3.98Å; V150-F155 HydrophobicContact CG1-CE2 3.67Å; V150-F155 HydrophobicContact CG2-CE2 4.24Å; V150-P175 HydrophobicContact CG1-CB 4.48Å
151	E	96.7	Very high	96.8	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	24%	0.243	S	C	.	.			trans	-64.2	147.3	173.5	-75.2	177.3	-164	0	0	111.8	I124 S125 R126 G153 A154	I124-E151 PolarHBondContact O-N 2.82Å; S125-E151 VanDerWaalsContact CA-CD 3.49Å; S125-E151 VanDerWaalsContact CB-OE1 3.25Å; S125-E151 WeakPolarHBondContact CB-OE1 3.46Å; R126-E151 HydrophobicContact CB-CB 4.36Å; R126-E151 WeakPolarHBondContact CB-OE2 3.13Å; R126-E151 PolarHBondContact N-OE2 3.02Å; E151-G153 PolarHBondContact O-N 3.14Å; E151-A154 HydrophobicContact CB-CB 4.16Å; E151-A154 VanDerWaalsContact O-CB 3.28Å; E151-A154 WeakPolarHBondContact O-CB 3.04Å; E151-A154 PolarHBondContact O-N 3.41Å
152	D	92.7	Very high	96.8	Very high	152 Å²	152	45.8 Å²	45.8	81%	0.813	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	106.8	-173.3	-80	-36.1	0	0	0	113.6	A154	D152-A154 VanDerWaalsContact C-N 3.34Å
153	G	93.2	Very high	96.9	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	28.7	-176.6	0	0	0	0	0	114.6	E151 F155 R156 V176	E151-G153 PolarHBondContact O-N 3.14Å; G153-F155 VanDerWaalsContact C-N 3.25Å; G153-F155 PolarHBondContact O-N 2.85Å; G153-R156 WeakPolarHBondContact O-CB 3.24Å; G153-R156 PolarHBondContact O-N 3.12Å; G153-V176 PolarHBondContact N-O 3.42Å
154	A	97.4	Very high	96.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.8	-41.7	173.9	0	0	0	0	0	112.5	I124 R126 L129 V150 E151 D152 R156 E157	I124-A154 HydrophobicContact CG2-CB 4.28Å; R126-A154 HydrophobicContact CB-CB 4.18Å; L129-A154 HydrophobicContact CD1-CB 4.16Å; L129-A154 WeakPolarHBondContact CD1-O 3.35Å; V150-A154 HydrophobicContact CG1-CB 4.39Å; E151-A154 HydrophobicContact CB-CB 4.16Å; E151-A154 VanDerWaalsContact O-CB 3.28Å; E151-A154 WeakPolarHBondContact O-CB 3.04Å; E151-A154 PolarHBondContact O-N 3.41Å; D152-A154 VanDerWaalsContact C-N 3.34Å; A154-R156 VanDerWaalsContact C-N 3.27Å; A154-R156 PolarHBondContact O-N 2.77Å; A154-E157 PolarHBondContact O-N 3.21Å
155	F	97.5	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62.7	-28.7	177	-67.4	-65.8	0	0	0	113.7	I124 L129 L138 L140 V150 G153 E157 A158 L164 L166 P175 L178	I124-F155 HydrophobicContact CD1-CE1 4.13Å; I124-F155 HydrophobicContact CD1-CZ 3.62Å; L129-F155 HydrophobicContact CD1-CD1 3.86Å; L129-F155 HydrophobicContact CD1-CE1 4.28Å; L129-F155 HydrophobicContact CD1-CG 4.46Å; L138-F155 HydrophobicContact CD2-CE1 4.3Å; L140-F155 HydrophobicContact CD1-CE1 4.24Å; V150-F155 HydrophobicContact CG1-CD2 3.98Å; V150-F155 HydrophobicContact CG1-CE2 3.67Å; V150-F155 HydrophobicContact CG2-CE2 4.24Å; G153-F155 VanDerWaalsContact C-N 3.25Å; G153-F155 PolarHBondContact O-N 2.85Å; F155-E157 PolarHBondContact O-N 3Å; F155-A158 WeakPolarHBondContact O-CB 3.49Å; F155-A158 PolarHBondContact O-N 2.92Å; F155-A158 VanDerWaalsContact O-N 3.09Å; F155-L164 HydrophobicContact CD1-CD1 4.26Å; F155-L164 HydrophobicContact CD1-CD2 3.94Å; F155-L164 HydrophobicContact CE1-CD1 3.85Å; F155-L164 HydrophobicContact CE1-CD2 4.09Å; F155-L164 HydrophobicContact CG-CD2 4.16Å; F155-L164 HydrophobicContact CZ-CD1 4.46Å; F155-L164 HydrophobicContact CZ-CD2 4.42Å; F155-L166 HydrophobicContact CE2-CD1 4.35Å; F155-L166 HydrophobicContact CZ-CD1 4.09Å; F155-L166 HydrophobicContact CZ-CD2 4.17Å; F155-P175 HydrophobicContact CD2-CB 4.46Å; F155-P175 HydrophobicContact CE2-CB 4.48Å; F155-P175 HydrophobicContact CE2-CG 4.35Å; F155-L178 HydrophobicContact CB-CD2 4.29Å; F155-L178 HydrophobicContact CD2-CD2 4.17Å; F155-L178 HydrophobicContact CG-CD2 4.4Å
156	R	96.4	Very high	96.9	Very high	115 Å²	115	43.9 Å²	43.9	43%	0.434	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-63.6	-23.3	178.3	-167.5	173.2	53.3	-127.8	-17.8	113.6	G153 A154 A158 G177	G153-R156 WeakPolarHBondContact O-CB 3.24Å; G153-R156 PolarHBondContact O-N 3.12Å; A154-R156 VanDerWaalsContact C-N 3.27Å; A154-R156 PolarHBondContact O-N 2.77Å; R156-A158 VanDerWaalsContact C-N 3.3Å; R156-G177 WeakPolarHBondContact CB-O 3.23Å; R156-G177 PolarHBondContact N-O 2.95Å
157	E	97.1	Very high	97	Very high	43 Å²	43	42.5 Å²	42.5	20%	0.201	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-73	-23	175.9	-55.5	-59.5	140.3	0	0	112.5	R126 L129 A130 L133 A154 F155 V159	R126-E157 HydrophobicContact CG-CG 3.47Å; R126-E157 VanDerWaalsContact CG-CG 3.47Å; R126-E157 IonicContact CZ-OE1 2.78Å; R126-E157 IonicContact NE-OE1 2.71Å; R126-E157 PolarHBondContact NE-OE1 3.31Å; R126-E157 IonicContact NH2-OE1 2.73Å; R126-E157 PolarHBondContact NH2-OE1 3.24Å; L129-E157 HydrophobicContact CB-CB 4.48Å; A130-E157 HydrophobicContact CB-CB 4.07Å; A130-E157 HydrophobicContact CB-CG 4.33Å; L133-E157 WeakPolarHBondContact CD2-O 3.46Å; A154-E157 PolarHBondContact O-N 3.21Å; F155-E157 PolarHBondContact O-N 3Å; E157-V159 PolarHBondContact O-N 3.16Å
158	A	97.2	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.			trans	-78.5	64.7	172.6	0	0	0	0	0	110.1	L129 F155 R156 S160 L161	L129-A158 HydrophobicContact CD2-CB 4.42Å; F155-A158 WeakPolarHBondContact O-CB 3.49Å; F155-A158 PolarHBondContact O-N 2.92Å; F155-A158 VanDerWaalsContact O-N 3.09Å; R156-A158 VanDerWaalsContact C-N 3.3Å; A158-S160 PolarHBondContact O-N 2.7Å; A158-L161 HydrophobicContact CB-CB 3.93Å; A158-L161 HydrophobicContact CB-CD2 4.18Å; A158-L161 WeakPolarHBondContact O-CB 3.23Å; A158-L161 PolarHBondContact O-N 2.95Å
159	V	96.4	Very high	97.3	Very high	88 Å²	88	38.7 Å²	38.7	53%	0.533	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	-168.4	-63.5	0	0	0	0	115.6	L133 E157	L133-V159 HydrophobicContact CB-CG2 4.36Å; L133-V159 HydrophobicContact CD2-CG2 4.46Å; E157-V159 PolarHBondContact O-N 3.16Å
160	S	98	Very high	97.4	Very high	42 Å²	42	41.3 Å²	41.3	29%	0.294	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1	176.9	-60.5	0	0	0	0	114	L133 L135 A158 K162	L133-S160 WeakPolarHBondContact O-CB 3.44Å; L133-S160 PolarHBondContact O-OG 2.66Å; L135-S160 CarbonylContact O-C 3.23Å; L135-S160 WeakPolarHBondContact O-CB 3.42Å; A158-S160 PolarHBondContact O-N 2.7Å; S160-K162 PolarHBondContact O-N 3.03Å
161	L	98.6	Very high	97.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.			trans	-75.5	124.3	-165.6	-172.4	70.9	0	0	0	112.1	L135 L138 A158 L164 P179 L182	L135-L161 HydrophobicContact CD2-CD1 4.22Å; L135-L161 HydrophobicContact CG-CD1 3.97Å; L135-L161 WeakPolarHBondContact O-CA 3.37Å; L135-L161 PolarHBondContact O-N 2.6Å; L138-L161 HydrophobicContact CB-CD1 3.74Å; L138-L161 HydrophobicContact CD2-CD2 4.49Å; A158-L161 HydrophobicContact CB-CB 3.93Å; A158-L161 HydrophobicContact CB-CD2 4.18Å; A158-L161 WeakPolarHBondContact O-CB 3.23Å; A158-L161 PolarHBondContact O-N 2.95Å; L161-L164 HydrophobicContact CD2-CB 4.24Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 HydrophobicContact CD2-CD2 4.43Å; L161-P179 HydrophobicContact CB-CB 4.36Å; L161-P179 HydrophobicContact CB-CG 3.89Å; L161-P179 HydrophobicContact CD2-CG 3.9Å; L161-P179 HydrophobicContact CG-CG 4.27Å; L161-L182 HydrophobicContact CG-CD1 4.3Å
162	K	98.6	Very high	97.5	Very high	65 Å²	65	39.2 Å²	39.2	28%	0.283	20%	0.202	S	C	.	.			trans	-115	-36.3	-175.4	-63.6	161.6	-167.1	170.8	0	112.2	E136 S160 L182 Q183 E184	E136-K162 PolarHBondContact O-N 3.1Å; E136-K162 IonicContact OE2-NZ 2.69Å; E136-K162 PolarHBondContact OE2-NZ 3.2Å; S160-K162 PolarHBondContact O-N 3.03Å; K162-L182 WeakPolarHBondContact O-CD1 3.44Å; K162-Q183 HydrophobicContact CB-CB 4.39Å; K162-Q183 HydrophobicContact CB-CG 4.02Å; K162-Q183 HydrophobicContact CG-CG 4.26Å; K162-Q183 WeakPolarHBondContact O-CA 3.36Å; K162-Q183 PolarHBondContact O-N 3.11Å; K162-E184 PolarHBondContact O-N 3.37Å
163	L	98.9	Very high	97.7	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.236	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.3	-178.2	-74.7	66	0	0	0	108.3	E136 E137 L138 F165 E184	E136-L163 PolarHBondContact O-N 3.07Å; E137-L163 WeakPolarHBondContact CA-O 3.43Å; E137-L163 HydrophobicContact CB-CB 4.16Å; E137-L163 HydrophobicContact CG-CB 3.92Å; E137-L163 HydrophobicContact CG-CD2 4.03Å; L138-L163 PolarHBondContact N-O 3.49Å; L163-F165 HydrophobicContact CB-CE2 3.86Å; L163-F165 HydrophobicContact CB-CZ 3.99Å; L163-F165 HydrophobicContact CD2-CE2 4.21Å; L163-F165 HydrophobicContact CD2-CZ 3.97Å; L163-F165 HydrophobicContact CG-CZ 4.27Å; L163-E184 HydrophobicContact CG-CB 4.35Å
164	L	98.8	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	116	177.2	176.9	56.7	0	0	0	109.9	L138 F155 L161 L166 L178 L182 E184 L185 R186	L138-L164 HydrophobicContact CB-CD1 4.3Å; L138-L164 HydrophobicContact CD2-CD1 4Å; L138-L164 HydrophobicContact CG-CD1 4.16Å; F155-L164 HydrophobicContact CD1-CD1 4.26Å; F155-L164 HydrophobicContact CD1-CD2 3.94Å; F155-L164 HydrophobicContact CE1-CD1 3.85Å; F155-L164 HydrophobicContact CE1-CD2 4.09Å; F155-L164 HydrophobicContact CG-CD2 4.16Å; F155-L164 HydrophobicContact CZ-CD1 4.46Å; F155-L164 HydrophobicContact CZ-CD2 4.42Å; L161-L164 HydrophobicContact CD2-CB 4.24Å; L161-L164 HydrophobicContact CD2-CD1 4.35Å; L161-L164 HydrophobicContact CD2-CD2 4.43Å; L164-L166 HydrophobicContact CD1-CD1 4.12Å; L164-L166 HydrophobicContact CD1-CG 4.03Å; L164-L166 HydrophobicContact CD2-CD1 3.96Å; L164-L166 HydrophobicContact CG-CD1 3.91Å; L164-L166 HydrophobicContact CG-CG 4.18Å; L164-L178 HydrophobicContact CD2-CD2 3.8Å; L164-L182 HydrophobicContact CB-CD1 3.78Å; L164-L182 HydrophobicContact CB-CD2 4.47Å; L164-E184 PolarHBondContact N-O 2.89Å; L164-L185 HydrophobicContact CB-CD1 4.22Å; L164-L185 HydrophobicContact CD2-CD1 4.02Å; L164-L185 HydrophobicContact CG-CD1 4.1Å; L164-R186 PolarHBondContact O-N 2.88Å
165	F	98.9	Very high	97.9	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.5	179.5	-49.3	-74.8	0	0	0	110.3	E137 L138 H139 L140 D141 L163 E184 R186	E137-F165 HydrophobicContact CG-CE2 4.14Å; L138-F165 PolarHBondContact O-N 3Å; H139-F165 HydrophobicContact CB-CD2 4.48Å; H139-F165 AromaticContact CD2-CD2 3.85Å; H139-F165 AromaticContact CE1-CD2 3.53Å; H139-F165 AromaticContact CE1-CE2 3.47Å; H139-F165 VanDerWaalsContact CE1-CE2 3.47Å; H139-F165 WeakPolarHBondContact CE1-CE2 3.25Å; H139-F165 AromaticContact CG-CD2 3.71Å; H139-F165 AromaticContact ND1-CD2 3.56Å; H139-F165 AromaticContact ND1-CE2 4Å; H139-F165 AromaticContact NE2-CD2 3.73Å; H139-F165 AromaticContact NE2-CE2 3.58Å; L140-F165 WeakPolarHBondContact CA-O 3.37Å; L140-F165 WeakPolarHBondContact CB-O 3.31Å; L140-F165 PolarHBondContact N-O 3.01Å; D141-F165 VanDerWaalsContact OD1-CB 3.3Å; D141-F165 WeakPolarHBondContact OD1-CB 3.2Å; D141-F165 VanDerWaalsContact OD2-CB 3.23Å; D141-F165 WeakPolarHBondContact OD2-CB 3.47Å; L163-F165 HydrophobicContact CB-CE2 3.86Å; L163-F165 HydrophobicContact CB-CZ 3.99Å; L163-F165 HydrophobicContact CD2-CE2 4.21Å; L163-F165 HydrophobicContact CD2-CZ 3.97Å; L163-F165 HydrophobicContact CG-CZ 4.27Å; F165-E184 HydrophobicContact CE1-CG 4.19Å; F165-E184 WeakPolarHBondContact CE1-OE1 3.46Å; F165-R186 HydrophobicContact CD1-CB 3.97Å; F165-R186 HydrophobicContact CD1-CG 3.75Å; F165-R186 HydrophobicContact CE1-CG 4.13Å
166	L	98.7	Very high	97.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.2	C	C	.	.			trans	-131.9	29.8	-178	-69.7	162.3	0	0	0	110	L140 I145 F155 L164 N169 L171 R186 V187 N190	L140-L166 HydrophobicContact CB-CD2 3.8Å; L140-L166 HydrophobicContact CD1-CD2 3.88Å; I145-L166 HydrophobicContact CD1-CD2 3.71Å; F155-L166 HydrophobicContact CE2-CD1 4.35Å; F155-L166 HydrophobicContact CZ-CD1 4.09Å; F155-L166 HydrophobicContact CZ-CD2 4.17Å; L164-L166 HydrophobicContact CD1-CD1 4.12Å; L164-L166 HydrophobicContact CD1-CG 4.03Å; L164-L166 HydrophobicContact CD2-CD1 3.96Å; L164-L166 HydrophobicContact CG-CD1 3.91Å; L164-L166 HydrophobicContact CG-CG 4.18Å; L166-N169 PolarHBondContact O-ND2 3.17Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.31Å; L166-R186 WeakPolarHBondContact CB-O 3.25Å; L166-R186 PolarHBondContact N-O 3.35Å; L166-V187 HydrophobicContact CB-CG1 4.13Å; L166-V187 HydrophobicContact CD1-CG1 4.21Å; L166-N190 PolarHBondContact O-ND2 3.38Å
167	S	98.5	Very high	97.5	Very high	13 Å²	13	33 Å²	33	9%	0.091	19%	0.186	C	C	.	.			trans	-61.6	148.5	-179.5	-175	0	0	0	0	111	D141 D142 N169 D188	D141-S167 CarbonylContact C-O 3.6Å; D141-S167 VanDerWaalsContact CA-O 3.24Å; D141-S167 WeakPolarHBondContact CA-O 3.33Å; D141-S167 WeakPolarHBondContact OD1-CB 3.46Å; D141-S167 PolarHBondContact OD1-N 3.28Å; D142-S167 PolarHBondContact N-O 3.33Å; D142-S167 VanDerWaalsContact N-O 3.11Å; S167-N169 PolarHBondContact O-N 2.81Å; S167-N169 PolarHBondContact O-ND2 3.08Å; S167-D188 CarbonylContact C-O 3.34Å; S167-D188 VanDerWaalsContact CA-O 3.3Å; S167-D188 WeakPolarHBondContact CA-O 3.32Å; S167-D188 VanDerWaalsContact CB-OD2 3.32Å; S167-D188 WeakPolarHBondContact CB-OD2 3.3Å; S167-D188 PolarHBondContact OG-OD2 3.17Å
168	K	98.4	Very high	97.5	Very high	97 Å²	97	31.4 Å²	31.4	42%	0.422	18%	0.179	S	C	.	.	S	Bend	trans	49.3	58.3	178.1	-52	164.3	-178.2	171.7	0	113.7	D142 N143 D188 E189 N190	D142-K168 WeakPolarHBondContact OD1-CD 3.21Å; D142-K168 IonicContact OD1-NZ 2.66Å; D142-K168 PolarHBondContact OD1-NZ 3.43Å; D142-K168 WeakPolarHBondContact OD2-CD 3.46Å; D142-K168 IonicContact OD2-NZ 2.7Å; D142-K168 PolarHBondContact OD2-NZ 3.24Å; N143-K168 PolarHBondContact N-O 3.35Å; K168-D188 PolarHBondContact N-O 3.29Å; K168-E189 WeakPolarHBondContact CA-O 3.46Å; K168-E189 HydrophobicContact CB-CB 4.34Å; K168-E189 HydrophobicContact CG-CB 3.64Å; K168-E189 HydrophobicContact CG-CG 4.16Å; K168-N190 PolarHBondContact N-ND2 3.32Å
169	N	98.6	Very high	97.5	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	-120.1	-173.3	173.6	-87.4	-90.9	0	0	0	110.4	L140 N143 I145 L166 S167 L171 N190	L140-N169 PolarHBondContact O-ND2 3.26Å; N143-N169 WeakPolarHBondContact CB-OD1 3.45Å; N143-N169 PolarHBondContact O-OD1 3.24Å; I145-N169 HydrophobicContact CB-CB 4.33Å; I145-N169 WeakPolarHBondContact CB-OD1 3.42Å; I145-N169 WeakPolarHBondContact CD1-OD1 3.48Å; I145-N169 WeakPolarHBondContact CG1-OD1 3.26Å; I145-N169 PolarHBondContact N-OD1 3.29Å; L166-N169 PolarHBondContact O-ND2 3.17Å; S167-N169 PolarHBondContact O-N 2.81Å; S167-N169 PolarHBondContact O-ND2 3.08Å; N169-L171 HydrophobicContact CB-CG 4.45Å; N169-N190 WeakPolarHBondContact CA-OD1 3.2Å; N169-N190 WeakPolarHBondContact CB-OD1 3.33Å; N169-N190 PolarHBondContact N-ND2 2.87Å; N169-N190 PolarHBondContact N-OD1 3.15Å; N169-N190 PolarHBondContact O-OD1 3.21Å; N169-N190 VanDerWaalsContact O-OD1 3.14Å
170	H	97.9	Very high	97.4	Very high	67 Å²	67	30.9 Å²	30.9	31%	0.31	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-102.9	29.4	-178.9	-59.8	141.3	0	0	0	113	S144 I145 S146 R191	S144-H170 WeakPolarHBondContact CA-ND1 3.48Å; S144-H170 PolarHBondContact O-ND1 2.99Å; I145-H170 CarbonylContact O-C 3.1Å; I145-H170 WeakPolarHBondContact O-CA 3.41Å; I145-H170 WeakPolarHBondContact O-CB 3.17Å; I145-H170 PolarHBondContact O-N 2.95Å; S146-H170 WeakPolarHBondContact CA-O 3.25Å; H170-R191 VanDerWaalsContact CD2-CZ 3.41Å; H170-R191 PolarHBondContact CD2-NH2 2.82Å; H170-R191 PolarHBondContact NE2-NH2 2.93Å; H170-R191 VanDerWaalsContact NE2-NH2 3.19Å
171	L	98.3	Very high	97.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.			trans	-70.2	131.7	177.7	-57.7	173.6	0	0	0	110.9	I145 L166 N169 P175 V187 N190 R191 I192	I145-L171 HydrophobicContact CG2-CD2 4.16Å; I145-L171 PolarHBondContact O-N 3.11Å; L166-L171 HydrophobicContact CB-CD1 4.26Å; L166-L171 HydrophobicContact CD1-CD1 4.31Å; N169-L171 HydrophobicContact CB-CG 4.45Å; L171-P175 HydrophobicContact CD2-CG 4.36Å; L171-V187 HydrophobicContact CD1-CB 4.5Å; L171-V187 HydrophobicContact CD1-CG1 4.2Å; L171-N190 HydrophobicContact CB-CB 4.37Å; L171-N190 VanDerWaalsContact CB-OD1 3.23Å; L171-N190 WeakPolarHBondContact CB-OD1 3.23Å; L171-N190 VanDerWaalsContact CG-OD1 3.29Å; L171-N190 WeakPolarHBondContact CG-OD1 3.29Å; L171-N190 PolarHBondContact N-OD1 2.95Å; L171-N190 VanDerWaalsContact N-OD1 3.1Å; L171-R191 CarbonylContact O-C 3.54Å; L171-R191 VanDerWaalsContact O-CA 3.31Å; L171-R191 WeakPolarHBondContact O-CA 3.36Å; L171-R191 PolarHBondContact O-N 3.37Å; L171-I192 HydrophobicContact CB-CD1 4.33Å; L171-I192 HydrophobicContact CB-CG1 4.05Å; L171-I192 PolarHBondContact O-N 2.79Å; L171-I192 VanDerWaalsContact O-N 3.15Å
172	S	97.6	Very high	97.4	Very high	70 Å²	70	33.1 Å²	33.1	49%	0.49	18%	0.184	S	C	.	.	S	Bend	trans	-100.9	-20.6	176.3	-57.3	0	0	0	0	112.7	T147 I192 A193	T147-S172 PolarHBondContact OG1-N 3.45Å; S172-I192 WeakPolarHBondContact O-CA 3.22Å; S172-A193 PolarHBondContact O-N 3.2Å
173	S	97.8	Very high	97.4	Very high	37 Å²	37	33.6 Å²	33.6	26%	0.259	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-146	160.1	168.5	62.4	0	0	0	0	110.3	T147 V194	T147-S173 WeakPolarHBondContact CG2-OG 3.47Å; T147-S173 PolarHBondContact OG1-N 2.76Å; T147-S173 PolarHBondContact OG1-O 2.76Å; S173-V194 WeakPolarHBondContact CA-O 3.26Å; S173-V194 VanDerWaalsContact CB-O 3.23Å; S173-V194 WeakPolarHBondContact CB-O 3.41Å
174	V	97.4	Very high	97.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.024	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-66.3	129.4	173.1	178.8	0	0	0	0	109.6	L178 V187 I192 I195 A199 F200	V174-L178 HydrophobicContact CG1-CD1 4.12Å; V174-V187 HydrophobicContact CG2-CG2 4.47Å; V174-I192 HydrophobicContact CG2-CD1 4.08Å; V174-I192 HydrophobicContact CG2-CG2 4.4Å; V174-I195 HydrophobicContact CG2-CD1 4.47Å; V174-I195 HydrophobicContact CG2-CG1 4Å; V174-A199 HydrophobicContact CB-CB 4.07Å; V174-A199 HydrophobicContact CG1-CB 4.05Å; V174-F200 HydrophobicContact CG1-CE1 3.83Å; V174-F200 HydrophobicContact CG1-CZ 4.24Å; V174-F200 HydrophobicContact CG2-CZ 4.15Å
175	P	95.4	Very high	97.4	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.071	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-59.5	139.5	178.4	-25.6	35	0	0	0	113.4	V150 F155 L171	V150-P175 HydrophobicContact CG1-CB 4.48Å; F155-P175 HydrophobicContact CD2-CB 4.46Å; F155-P175 HydrophobicContact CE2-CB 4.48Å; F155-P175 HydrophobicContact CE2-CG 4.35Å; L171-P175 HydrophobicContact CD2-CG 4.36Å
176	V	93	Very high	97.4	Very high	76 Å²	76	35.6 Å²	35.6	46%	0.461	19%	0.193	S	C	.	.	S	Bend	trans	-86.4	143.1	174.5	-179.2	0	0	0	0	109.9	G153 L198	G153-V176 PolarHBondContact N-O 3.42Å; V176-L198 HydrophobicContact CG1-CB 4.23Å
177	G	93.6	Very high	97.4	Very high	13 Å²	13	35.6 Å²	35.6	13%	0.134	19%	0.193	C	C	.	.	S	Bend	trans	81.6	50.5	-177.4	0	0	0	0	0	113.1	R156	R156-G177 WeakPolarHBondContact CB-O 3.23Å; R156-G177 PolarHBondContact N-O 2.95Å
178	L	97	Very high	97.4	Very high	10 Å²	10	36 Å²	36	5%	0.052	19%	0.194	C	C	.	.			trans	-74.2	163.6	166.9	-69.1	169.9	0	0	0	111.5	F155 L164 V174 L185 L203	F155-L178 HydrophobicContact CB-CD2 4.29Å; F155-L178 HydrophobicContact CD2-CD2 4.17Å; F155-L178 HydrophobicContact CG-CD2 4.4Å; L164-L178 HydrophobicContact CD2-CD2 3.8Å; V174-L178 HydrophobicContact CG1-CD1 4.12Å; L178-L185 HydrophobicContact CD1-CD2 3.78Å; L178-L203 HydrophobicContact CB-CD1 4.13Å; L178-L203 HydrophobicContact CB-CD2 4.08Å; L178-L203 HydrophobicContact CD1-CD1 3.93Å
179	P	96.4	Very high	97.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.013	19%	0.19	C	C	.	.			trans	-68.9	136.1	178.8	-6.7	19.8	0	0	0	111.7	L161 D181 L182 L203	L161-P179 HydrophobicContact CB-CB 4.36Å; L161-P179 HydrophobicContact CB-CG 3.89Å; L161-P179 HydrophobicContact CD2-CG 3.9Å; L161-P179 HydrophobicContact CG-CG 4.27Å; P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 2.8Å; P179-L182 HydrophobicContact CG-CD1 4.29Å; P179-L182 VanDerWaalsContact O-CB 3.23Å; P179-L182 WeakPolarHBondContact O-CB 3.45Å; P179-L182 PolarHBondContact O-N 3.37Å; P179-L203 WeakPolarHBondContact O-CD2 3.3Å
180	V	95.8	Very high	97.4	Very high	76 Å²	76	35.1 Å²	35.1	46%	0.461	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.7	-176	178.1	0	0	0	0	112.9	L182	V180-L182 VanDerWaalsContact C-N 3.32Å; V180-L182 PolarHBondContact O-N 2.67Å
181	D	96.8	Very high	97.4	Very high	88 Å²	88	38.6 Å²	38.6	47%	0.471	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.9	-179.7	-79.8	-49.2	0	0	0	114.5	P179 Q183 S205	P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 2.8Å; D181-Q183 WeakPolarHBondContact O-CG 3.49Å; D181-S205 PolarHBondContact OD1-OG 3.41Å
182	L	98.4	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.			trans	-60.1	137.8	176.5	-163.5	74.4	0	0	0	111.3	L161 K162 L164 P179 V180 L185 S205 L206	L161-L182 HydrophobicContact CG-CD1 4.3Å; K162-L182 WeakPolarHBondContact O-CD1 3.44Å; L164-L182 HydrophobicContact CB-CD1 3.78Å; L164-L182 HydrophobicContact CB-CD2 4.47Å; P179-L182 HydrophobicContact CG-CD1 4.29Å; P179-L182 VanDerWaalsContact O-CB 3.23Å; P179-L182 WeakPolarHBondContact O-CB 3.45Å; P179-L182 PolarHBondContact O-N 3.37Å; V180-L182 VanDerWaalsContact C-N 3.32Å; V180-L182 PolarHBondContact O-N 2.67Å; L182-L185 HydrophobicContact CD2-CB 3.89Å; L182-L185 HydrophobicContact CD2-CD1 4.12Å; L182-L185 HydrophobicContact CD2-CG 4.41Å; L182-S205 CarbonylContact O-C 3.59Å; L182-L206 HydrophobicContact CB-CD1 4.34Å; L182-L206 HydrophobicContact CD2-CD1 4.05Å; L182-L206 HydrophobicContact CG-CD1 4.05Å; L182-L206 VanDerWaalsContact O-CA 3.26Å; L182-L206 WeakPolarHBondContact O-CA 3.46Å; L182-L206 PolarHBondContact O-N 2.73Å; L182-L206 VanDerWaalsContact O-N 3.1Å
183	Q	98.6	Very high	97.4	Very high	76 Å²	76	37.2 Å²	37.2	36%	0.355	19%	0.194	S	C	.	.			trans	-119.2	-36.6	-172.7	-56.1	-175.3	1.8	0	0	112.1	K162 D181 E207 R208	K162-Q183 HydrophobicContact CB-CB 4.39Å; K162-Q183 HydrophobicContact CB-CG 4.02Å; K162-Q183 HydrophobicContact CG-CG 4.26Å; K162-Q183 WeakPolarHBondContact O-CA 3.36Å; K162-Q183 PolarHBondContact O-N 3.11Å; D181-Q183 WeakPolarHBondContact O-CG 3.49Å; Q183-E207 WeakPolarHBondContact O-CA 3.25Å; Q183-E207 PolarHBondContact O-N 2.88Å; Q183-R208 PolarHBondContact O-N 2.7Å
184	E	98.8	Very high	97.4	Very high	21 Å²	21	39.2 Å²	39.2	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.5	172.9	-178.1	161.3	160.1	0	0	110.3	K162 L163 L164 F165 R186 R208	K162-E184 PolarHBondContact O-N 3.37Å; L163-E184 HydrophobicContact CG-CB 4.35Å; L164-E184 PolarHBondContact N-O 2.89Å; F165-E184 HydrophobicContact CE1-CG 4.19Å; F165-E184 WeakPolarHBondContact CE1-OE1 3.46Å; E184-R186 HydrophobicContact CG-CG 4.39Å; E184-R186 IonicContact OE1-CZ 3.87Å; E184-R186 IonicContact OE1-NE 2.69Å; E184-R186 PolarHBondContact OE1-NE 3.46Å; E184-R186 IonicContact OE1-NH2 3.3Å; E184-R186 PolarHBondContact OE1-NH2 3.37Å; E184-R208 WeakPolarHBondContact CA-O 3.35Å; E184-R208 HydrophobicContact CB-CB 4.3Å; E184-R208 HydrophobicContact CG-CB 3.99Å; E184-R208 IonicContact OE1-CZ 3.15Å; E184-R208 IonicContact OE1-NH1 2.67Å; E184-R208 PolarHBondContact OE1-NH1 2.9Å; E184-R208 WeakPolarHBondContact OE2-CD 3.41Å; E184-R208 IonicContact OE2-CZ 3.49Å; E184-R208 IonicContact OE2-NE 2.73Å; E184-R208 IonicContact OE2-NH1 3.68Å; E184-R208 PolarHBondContact OE2-NH1 2.78Å
185	L	98.8	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	172	-179.8	62.9	0	0	0	109.4	L164 L178 L182 V187 F200 L206 R208 L209 I210	L164-L185 HydrophobicContact CB-CD1 4.22Å; L164-L185 HydrophobicContact CD2-CD1 4.02Å; L164-L185 HydrophobicContact CG-CD1 4.1Å; L178-L185 HydrophobicContact CD1-CD2 3.78Å; L182-L185 HydrophobicContact CD2-CB 3.89Å; L182-L185 HydrophobicContact CD2-CD1 4.12Å; L182-L185 HydrophobicContact CD2-CG 4.41Å; L185-V187 HydrophobicContact CD1-CG1 4.01Å; L185-V187 HydrophobicContact CG-CG1 4.24Å; L185-F200 HydrophobicContact CD2-CE1 3.91Å; L185-L206 HydrophobicContact CB-CD1 4Å; L185-R208 PolarHBondContact N-O 2.95Å; L185-L209 HydrophobicContact CB-CD1 4.13Å; L185-L209 HydrophobicContact CD2-CD1 3.88Å; L185-L209 HydrophobicContact CG-CD1 4.19Å; L185-I210 PolarHBondContact O-N 2.91Å
186	R	98.8	Very high	97.4	Very high	81 Å²	81	40.4 Å²	40.4	31%	0.306	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.7	170.5	-65.1	-155.6	-160.5	165.5	14.6	110.7	L164 F165 L166 E184 D188 I210	L164-R186 PolarHBondContact O-N 2.88Å; F165-R186 HydrophobicContact CD1-CB 3.97Å; F165-R186 HydrophobicContact CD1-CG 3.75Å; F165-R186 HydrophobicContact CE1-CG 4.13Å; L166-R186 WeakPolarHBondContact CB-O 3.25Å; L166-R186 PolarHBondContact N-O 3.35Å; E184-R186 HydrophobicContact CG-CG 4.39Å; E184-R186 IonicContact OE1-CZ 3.87Å; E184-R186 IonicContact OE1-NE 2.69Å; E184-R186 PolarHBondContact OE1-NE 3.46Å; E184-R186 IonicContact OE1-NH2 3.3Å; E184-R186 PolarHBondContact OE1-NH2 3.37Å; R186-D188 WeakPolarHBondContact CB-OD1 3.34Å; R186-I210 HydrophobicContact CG-CB 4.14Å; R186-I210 HydrophobicContact CG-CD1 4.15Å; R186-I210 HydrophobicContact CG-CG1 4.3Å
187	V	98.4	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.			trans	-135.2	30.5	174.2	-62.1	0	0	0	0	109.9	L166 L171 V174 L185 N190 I192 I210 V211 N214	L166-V187 HydrophobicContact CB-CG1 4.13Å; L166-V187 HydrophobicContact CD1-CG1 4.21Å; L171-V187 HydrophobicContact CD1-CB 4.5Å; L171-V187 HydrophobicContact CD1-CG1 4.2Å; V174-V187 HydrophobicContact CG2-CG2 4.47Å; L185-V187 HydrophobicContact CD1-CG1 4.01Å; L185-V187 HydrophobicContact CG-CG1 4.24Å; V187-N190 WeakPolarHBondContact O-CB 3.42Å; V187-N190 PolarHBondContact O-ND2 3.19Å; V187-I192 HydrophobicContact CB-CD1 3.76Å; V187-I192 HydrophobicContact CG2-CD1 3.57Å; V187-I210 PolarHBondContact N-O 2.88Å; V187-V211 HydrophobicContact CG2-CB 4.23Å; V187-V211 HydrophobicContact CG2-CG1 3.5Å; V187-V211 VanDerWaalsContact CG2-CG1 3.5Å; V187-N214 PolarHBondContact O-ND2 3.43Å
188	D	98.5	Very high	97.2	Very high	23 Å²	23	44 Å²	44	12%	0.123	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	161	178.6	45	-78.4	0	0	0	113.5	S167 K168 R186 N190 I210 D212	S167-D188 CarbonylContact C-O 3.34Å; S167-D188 VanDerWaalsContact CA-O 3.3Å; S167-D188 WeakPolarHBondContact CA-O 3.32Å; S167-D188 VanDerWaalsContact CB-OD2 3.32Å; S167-D188 WeakPolarHBondContact CB-OD2 3.3Å; S167-D188 PolarHBondContact OG-OD2 3.17Å; K168-D188 PolarHBondContact N-O 3.29Å; R186-D188 WeakPolarHBondContact CB-OD1 3.34Å; D188-N190 PolarHBondContact O-N 2.82Å; D188-N190 VanDerWaalsContact O-N 3.14Å; D188-N190 PolarHBondContact O-ND2 3.47Å; D188-I210 HydrophobicContact CB-CG2 4.05Å; D188-D212 CarbonylContact C-O 3.47Å; D188-D212 WeakPolarHBondContact CA-O 3.27Å; D188-D212 HydrophobicContact CB-CB 4.01Å; D188-D212 WeakPolarHBondContact CB-O 3.41Å
189	E	98.5	Very high	97	Very high	72 Å²	72	43.7 Å²	43.7	34%	0.336	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	30.2	-179.5	-48.6	-59.5	111.6	0	0	114.3	K168 D212 G213 R239	K168-E189 WeakPolarHBondContact CA-O 3.46Å; K168-E189 HydrophobicContact CB-CB 4.34Å; K168-E189 HydrophobicContact CG-CB 3.64Å; K168-E189 HydrophobicContact CG-CG 4.16Å; E189-D212 PolarHBondContact N-O 3.15Å; E189-G213 CarbonylContact C-O 3.48Å; E189-G213 VanDerWaalsContact CA-O 3.25Å; E189-G213 WeakPolarHBondContact CA-O 3.1Å; E189-G213 WeakPolarHBondContact OE1-CA 3.23Å; E189-R239 IonicContact OE1-CZ 3.59Å; E189-R239 IonicContact OE1-NE 2.83Å; E189-R239 IonicContact OE1-NH2 2.7Å; E189-R239 PolarHBondContact OE1-NH2 2.83Å; E189-R239 IonicContact OE2-CZ 3.81Å; E189-R239 IonicContact OE2-NH2 3.59Å; E189-R239 PolarHBondContact OE2-NH2 2.69Å; E189-R239 VanDerWaalsContact OE2-NH2 3.15Å
190	N	98.6	Very high	97	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.048	23%	0.225	C	C	.	.	S	Bend	trans	-99.7	-165.6	178.2	-87.8	-102.9	0	0	0	111	L166 K168 N169 L171 V187 D188 I192 G213 N214	L166-N190 PolarHBondContact O-ND2 3.38Å; K168-N190 PolarHBondContact N-ND2 3.32Å; N169-N190 WeakPolarHBondContact CA-OD1 3.2Å; N169-N190 WeakPolarHBondContact CB-OD1 3.33Å; N169-N190 PolarHBondContact N-ND2 2.87Å; N169-N190 PolarHBondContact N-OD1 3.15Å; N169-N190 PolarHBondContact O-OD1 3.21Å; N169-N190 VanDerWaalsContact O-OD1 3.14Å; L171-N190 HydrophobicContact CB-CB 4.37Å; L171-N190 VanDerWaalsContact CB-OD1 3.23Å; L171-N190 WeakPolarHBondContact CB-OD1 3.23Å; L171-N190 VanDerWaalsContact CG-OD1 3.29Å; L171-N190 WeakPolarHBondContact CG-OD1 3.29Å; L171-N190 PolarHBondContact N-OD1 2.95Å; L171-N190 VanDerWaalsContact N-OD1 3.1Å; V187-N190 WeakPolarHBondContact O-CB 3.42Å; V187-N190 PolarHBondContact O-ND2 3.19Å; D188-N190 PolarHBondContact O-N 2.82Å; D188-N190 VanDerWaalsContact O-N 3.14Å; D188-N190 PolarHBondContact O-ND2 3.47Å; N190-I192 HydrophobicContact CB-CD1 4.17Å; N190-I192 HydrophobicContact CB-CG1 4.06Å; N190-G213 PolarHBondContact N-O 2.91Å; N190-N214 WeakPolarHBondContact CA-OD1 3.35Å; N190-N214 WeakPolarHBondContact CB-OD1 3.48Å; N190-N214 PolarHBondContact O-OD1 2.97Å
191	R	98.1	Very high	96.7	Very high	140 Å²	140	44.9 Å²	44.9	53%	0.528	23%	0.226	S	C	.	.			trans	-113.5	26.8	178.2	-56.8	-177.2	-171.8	151.4	10.8	111.7	H170 L171 A193 N214 L215	H170-R191 VanDerWaalsContact CD2-CZ 3.41Å; H170-R191 PolarHBondContact CD2-NH2 2.82Å; H170-R191 PolarHBondContact NE2-NH2 2.93Å; H170-R191 VanDerWaalsContact NE2-NH2 3.19Å; L171-R191 CarbonylContact O-C 3.54Å; L171-R191 VanDerWaalsContact O-CA 3.31Å; L171-R191 WeakPolarHBondContact O-CA 3.36Å; L171-R191 PolarHBondContact O-N 3.37Å; R191-A193 PolarHBondContact O-N 3.02Å; R191-A193 VanDerWaalsContact O-N 3.14Å; R191-N214 PolarHBondContact N-OD1 2.87Å; R191-L215 HydrophobicContact CB-CD1 4.16Å
192	I	98.6	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.			trans	-67.3	113.8	-172.3	-63.7	168.9	0	0	0	109.5	L171 S172 V174 V187 N190 I195 N214 L215 L216	L171-I192 HydrophobicContact CB-CD1 4.33Å; L171-I192 HydrophobicContact CB-CG1 4.05Å; L171-I192 PolarHBondContact O-N 2.79Å; L171-I192 VanDerWaalsContact O-N 3.15Å; S172-I192 WeakPolarHBondContact O-CA 3.22Å; V174-I192 HydrophobicContact CG2-CD1 4.08Å; V174-I192 HydrophobicContact CG2-CG2 4.4Å; V187-I192 HydrophobicContact CB-CD1 3.76Å; V187-I192 HydrophobicContact CG2-CD1 3.57Å; N190-I192 HydrophobicContact CB-CD1 4.17Å; N190-I192 HydrophobicContact CB-CG1 4.06Å; I192-I195 HydrophobicContact CG2-CG1 4.26Å; I192-N214 HydrophobicContact CB-CB 4.31Å; I192-N214 WeakPolarHBondContact CB-OD1 3.2Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.44Å; I192-N214 PolarHBondContact N-OD1 2.87Å; I192-L215 CarbonylContact O-C 3.59Å; I192-L215 WeakPolarHBondContact O-CA 3.36Å; I192-L215 PolarHBondContact O-N 2.97Å; I192-L216 HydrophobicContact CG2-CD2 3.79Å; I192-L216 HydrophobicContact CG2-CG 4.44Å; I192-L216 PolarHBondContact O-N 3.48Å
193	A	97.9	Very high	96.2	Very high	41 Å²	41	45.5 Å²	45.5	34%	0.339	23%	0.23	S	C	.	.			trans	-102.9	-22.5	175.6	0	0	0	0	0	112.5	S172 R191 L215 G220	S172-A193 PolarHBondContact O-N 3.2Å; R191-A193 PolarHBondContact O-N 3.02Å; R191-A193 VanDerWaalsContact O-N 3.14Å; A193-L215 HydrophobicContact CB-CB 4.23Å; A193-G220 WeakPolarHBondContact O-CA 3.18Å
194	V	97.6	Very high	96.1	Very high	79 Å²	79	44.9 Å²	44.9	48%	0.479	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-135.3	137.9	-172.6	178.2	0	0	0	0	111.7	S173 G220	S173-V194 WeakPolarHBondContact CA-O 3.26Å; S173-V194 VanDerWaalsContact CB-O 3.23Å; S173-V194 WeakPolarHBondContact CB-O 3.41Å; V194-G220 CarbonylContact C-O 3.24Å; V194-G220 VanDerWaalsContact CA-O 3.29Å; V194-G220 WeakPolarHBondContact CA-O 3.34Å
195	I	97.6	Very high	96	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-125	114.4	170.9	-65.7	174.7	0	0	0	107.6	V174 I192 F200 L216 G220 A222 T225 F226	V174-I195 HydrophobicContact CG2-CD1 4.47Å; V174-I195 HydrophobicContact CG2-CG1 4Å; I192-I195 HydrophobicContact CG2-CG1 4.26Å; I195-F200 HydrophobicContact CD1-CE2 4.33Å; I195-F200 HydrophobicContact CG2-CD2 4.01Å; I195-F200 HydrophobicContact CG2-CE2 3.5Å; I195-F200 HydrophobicContact CG2-CZ 4.27Å; I195-L216 HydrophobicContact CD1-CD1 3.97Å; I195-L216 HydrophobicContact CD1-CD2 3.74Å; I195-L216 HydrophobicContact CG1-CD2 3.83Å; I195-G220 PolarHBondContact N-O 2.85Å; I195-A222 WeakPolarHBondContact O-CB 3.32Å; I195-A222 PolarHBondContact O-N 2.94Å; I195-T225 HydrophobicContact CG2-CG2 3.93Å; I195-F226 HydrophobicContact CD1-CZ 4.24Å
196	S	95.1	Very high	96	Very high	39 Å²	39	44.3 Å²	44.3	27%	0.273	23%	0.229	S	C	.	.			trans	-75.4	153.3	171.9	159.1	0	0	0	0	111.4	L198 A199 T225	S196-L198 PolarHBondContact O-N 3.15Å; S196-L198 PolarHBondContact OG-N 3.31Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 3.11Å; S196-T225 PolarHBondContact O-OG1 2.79Å
197	D	90.7	Very high	96	Very high	87 Å²	87	43.3 Å²	43.3	47%	0.465	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-37.9	161.6	59.4	-50	0	0	0	113.7	A222	D197-A222 HydrophobicContact CB-CB 4.14Å; D197-A222 VanDerWaalsContact N-CB 3.33Å
198	L	91.8	Very high	96	Very high	78 Å²	78	46.8 Å²	46.8	41%	0.408	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.1	-178.8	-58.4	-177.4	0	0	0	113.7	V176 S196 F200 Q201	V176-L198 HydrophobicContact CG1-CB 4.23Å; S196-L198 PolarHBondContact O-N 3.15Å; S196-L198 PolarHBondContact OG-N 3.31Å; L198-F200 VanDerWaalsContact C-N 3.3Å; L198-F200 PolarHBondContact O-N 2.95Å; L198-Q201 WeakPolarHBondContact O-CB 3.48Å; L198-Q201 PolarHBondContact O-N 2.96Å
199	A	94.1	Very high	96	Very high	3 Å²	3	45.7 Å²	45.7	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.1	-174.4	0	0	0	0	0	112.9	V174 S196	V174-A199 HydrophobicContact CB-CB 4.07Å; V174-A199 HydrophobicContact CG1-CB 4.05Å; S196-A199 WeakPolarHBondContact O-CB 3.4Å; S196-A199 PolarHBondContact O-N 3.11Å
200	F	95.3	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	11.6	-179.9	-60	-44.6	0	0	0	113.8	V174 L185 I195 L198 N202 L203 L209 F226 L229	V174-F200 HydrophobicContact CG1-CE1 3.83Å; V174-F200 HydrophobicContact CG1-CZ 4.24Å; V174-F200 HydrophobicContact CG2-CZ 4.15Å; L185-F200 HydrophobicContact CD2-CE1 3.91Å; I195-F200 HydrophobicContact CD1-CE2 4.33Å; I195-F200 HydrophobicContact CG2-CD2 4.01Å; I195-F200 HydrophobicContact CG2-CE2 3.5Å; I195-F200 HydrophobicContact CG2-CZ 4.27Å; L198-F200 VanDerWaalsContact C-N 3.3Å; L198-F200 PolarHBondContact O-N 2.95Å; F200-N202 PolarHBondContact O-N 2.91Å; F200-L203 HydrophobicContact CB-CD1 4.42Å; F200-L203 HydrophobicContact CD1-CD1 3.91Å; F200-L203 PolarHBondContact O-N 3.28Å; F200-L209 HydrophobicContact CE1-CD1 4.12Å; F200-L209 HydrophobicContact CE1-CD2 4.3Å; F200-L209 HydrophobicContact CE2-CD2 4.09Å; F200-L209 HydrophobicContact CZ-CD1 4.08Å; F200-L209 HydrophobicContact CZ-CD2 3.83Å; F200-F226 HydrophobicContact CD2-CD1 4.09Å; F200-F226 HydrophobicContact CD2-CE1 4.14Å; F200-F226 AromaticContact CE2-CD1 3.97Å; F200-F226 HydrophobicContact CE2-CD1 3.97Å; F200-F226 AromaticContact CE2-CE1 3.57Å; F200-F226 HydrophobicContact CE2-CE1 3.57Å; F200-F226 HydrophobicContact CZ-CE1 4.48Å; F200-L229 HydrophobicContact CB-CD2 4.15Å
201	Q	89.5	Confident	96	Very high	104 Å²	104	42.6 Å²	42.6	49%	0.486	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.2	-178.9	-164.3	-177.5	68.8	0	0	111.1	L198 L203	L198-Q201 WeakPolarHBondContact O-CB 3.48Å; L198-Q201 PolarHBondContact O-N 2.96Å; Q201-L203 PolarHBondContact O-N 2.94Å; Q201-L203 VanDerWaalsContact O-N 3.17Å
202	N	89.3	Confident	96.1	Very high	98 Å²	98	37.2 Å²	37.2	52%	0.524	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	1.4	-178	-51.8	-50.7	0	0	0	117	F200 T204	F200-N202 PolarHBondContact O-N 2.91Å; N202-T204 PolarHBondContact O-N 2.76Å
203	L	96.1	Very high	96.1	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.211	C	C	.	.			trans	-74.3	47	179.5	-59	-170.5	0	0	0	114.1	L178 P179 F200 Q201 S205 L206 L229	L178-L203 HydrophobicContact CB-CD1 4.13Å; L178-L203 HydrophobicContact CB-CD2 4.08Å; L178-L203 HydrophobicContact CD1-CD1 3.93Å; P179-L203 WeakPolarHBondContact O-CD2 3.3Å; F200-L203 HydrophobicContact CB-CD1 4.42Å; F200-L203 HydrophobicContact CD1-CD1 3.91Å; F200-L203 PolarHBondContact O-N 3.28Å; Q201-L203 PolarHBondContact O-N 2.94Å; Q201-L203 VanDerWaalsContact O-N 3.17Å; L203-S205 PolarHBondContact O-N 2.87Å; L203-S205 VanDerWaalsContact O-N 3.16Å; L203-L206 HydrophobicContact CB-CB 4.4Å; L203-L206 WeakPolarHBondContact O-CB 3.48Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-L206 VanDerWaalsContact O-N 3.14Å; L203-L229 HydrophobicContact CB-CD2 3.79Å; L203-L229 WeakPolarHBondContact O-CD2 3.2Å
204	T	95.8	Very high	96.1	Very high	62 Å²	62	36.4 Å²	36.4	38%	0.38	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	-178.3	64.2	0	0	0	0	113.7	N202 K231	N202-T204 PolarHBondContact O-N 2.76Å; T204-K231 WeakPolarHBondContact O-CB 3.11Å; T204-K231 WeakPolarHBondContact O-CD 3.49Å; T204-K231 VanDerWaalsContact O-CE 3.23Å; T204-K231 WeakPolarHBondContact O-CE 3.12Å; T204-K231 WeakPolarHBondContact O-CG 3.17Å
205	S	97.6	Very high	96.1	Very high	11 Å²	11	37.5 Å²	37.5	8%	0.077	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.5	174.5	-78.2	0	0	0	0	114.8	D181 L182 L203 E207 K231	D181-S205 PolarHBondContact OD1-OG 3.41Å; L182-S205 CarbonylContact O-C 3.59Å; L203-S205 PolarHBondContact O-N 2.87Å; L203-S205 VanDerWaalsContact O-N 3.16Å; S205-E207 PolarHBondContact O-N 2.74Å; S205-K231 PolarHBondContact OG-NZ 3.48Å
206	L	98.4	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-68.7	125.3	-173.5	-160.5	72.7	0	0	0	111.6	L182 L185 L203 L209 L229 K231 L232	L182-L206 HydrophobicContact CB-CD1 4.34Å; L182-L206 HydrophobicContact CD2-CD1 4.05Å; L182-L206 HydrophobicContact CG-CD1 4.05Å; L182-L206 VanDerWaalsContact O-CA 3.26Å; L182-L206 WeakPolarHBondContact O-CA 3.46Å; L182-L206 PolarHBondContact O-N 2.73Å; L182-L206 VanDerWaalsContact O-N 3.1Å; L185-L206 HydrophobicContact CB-CD1 4Å; L203-L206 HydrophobicContact CB-CB 4.4Å; L203-L206 WeakPolarHBondContact O-CB 3.48Å; L203-L206 PolarHBondContact O-N 3.35Å; L203-L206 VanDerWaalsContact O-N 3.14Å; L206-L209 HydrophobicContact CD2-CB 4.04Å; L206-L209 HydrophobicContact CD2-CD1 4.35Å; L206-L209 HydrophobicContact CD2-CD2 4.5Å; L206-L229 HydrophobicContact CB-CD2 4.12Å; L206-L229 HydrophobicContact CD2-CD1 4.32Å; L206-L229 HydrophobicContact CD2-CD2 3.96Å; L206-K231 CarbonylContact O-C 3.23Å; L206-K231 VanDerWaalsContact O-C 3.23Å; L206-L232 VanDerWaalsContact O-CA 3.3Å; L206-L232 WeakPolarHBondContact O-CA 3.47Å; L206-L232 PolarHBondContact O-N 2.84Å; L206-L232 VanDerWaalsContact O-N 3.09Å
207	E	98.6	Very high	96.3	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.28	20%	0.204	S	C	.	.			trans	-107.2	-29.9	-179.7	-55	-153.9	146.3	0	0	112.9	Q183 S205 K233 E234	Q183-E207 WeakPolarHBondContact O-CA 3.25Å; Q183-E207 PolarHBondContact O-N 2.88Å; S205-E207 PolarHBondContact O-N 2.74Å; E207-K233 HydrophobicContact CB-CD 4.25Å; E207-K233 VanDerWaalsContact CD-CE 3.5Å; E207-K233 WeakPolarHBondContact O-CA 3.17Å; E207-K233 WeakPolarHBondContact O-CB 3.41Å; E207-K233 PolarHBondContact O-N 3.46Å; E207-K233 VanDerWaalsContact OE1-CE 3.31Å; E207-K233 WeakPolarHBondContact OE1-CE 3.22Å; E207-K233 IonicContact OE1-NZ 3.19Å; E207-K233 PolarHBondContact OE1-NZ 3.04Å; E207-K233 WeakPolarHBondContact OE2-CE 3.42Å; E207-K233 IonicContact OE2-NZ 3.84Å; E207-K233 PolarHBondContact OE2-NZ 3.44Å; E207-E234 PolarHBondContact O-N 3.34Å; E207-E234 VanDerWaalsContact O-N 3.15Å
208	R	98.8	Very high	96.6	Very high	72 Å²	72	35 Å²	35	27%	0.272	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.2	-178.9	-59.4	-175.5	67	-137.8	-2.9	110.5	Q183 E184 L185 E234	Q183-R208 PolarHBondContact O-N 2.7Å; E184-R208 WeakPolarHBondContact CA-O 3.35Å; E184-R208 HydrophobicContact CB-CB 4.3Å; E184-R208 HydrophobicContact CG-CB 3.99Å; E184-R208 IonicContact OE1-CZ 3.15Å; E184-R208 IonicContact OE1-NH1 2.67Å; E184-R208 PolarHBondContact OE1-NH1 2.9Å; E184-R208 WeakPolarHBondContact OE2-CD 3.41Å; E184-R208 IonicContact OE2-CZ 3.49Å; E184-R208 IonicContact OE2-NE 2.73Å; E184-R208 IonicContact OE2-NH1 3.68Å; E184-R208 PolarHBondContact OE2-NH1 2.78Å; L185-R208 PolarHBondContact N-O 2.95Å; R208-E234 WeakPolarHBondContact CA-O 3.13Å; R208-E234 HydrophobicContact CG-CB 4.18Å; R208-E234 IonicContact CZ-OE1 3.75Å; R208-E234 IonicContact NE-OE1 3.2Å; R208-E234 PolarHBondContact NE-OE1 2.67Å; R208-E234 IonicContact NH2-OE1 2.64Å; R208-E234 PolarHBondContact NH2-OE1 3.31Å
209	L	98.7	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.3	176.4	177.4	59.1	0	0	0	109.6	L185 F200 L206 V211 F226 L229 L232 E234 F235 S236	L185-L209 HydrophobicContact CB-CD1 4.13Å; L185-L209 HydrophobicContact CD2-CD1 3.88Å; L185-L209 HydrophobicContact CG-CD1 4.19Å; F200-L209 HydrophobicContact CE1-CD1 4.12Å; F200-L209 HydrophobicContact CE1-CD2 4.3Å; F200-L209 HydrophobicContact CE2-CD2 4.09Å; F200-L209 HydrophobicContact CZ-CD1 4.08Å; F200-L209 HydrophobicContact CZ-CD2 3.83Å; L206-L209 HydrophobicContact CD2-CB 4.04Å; L206-L209 HydrophobicContact CD2-CD1 4.35Å; L206-L209 HydrophobicContact CD2-CD2 4.5Å; L209-V211 HydrophobicContact CD1-CG1 3.94Å; L209-V211 HydrophobicContact CG-CG1 4.28Å; L209-F226 HydrophobicContact CD2-CD1 4.13Å; L209-F226 HydrophobicContact CD2-CE1 4Å; L209-L229 HydrophobicContact CD2-CD1 3.98Å; L209-L232 HydrophobicContact CB-CD1 3.85Å; L209-E234 PolarHBondContact N-O 3.22Å; L209-F235 HydrophobicContact CB-CD2 4.04Å; L209-F235 HydrophobicContact CD2-CD2 3.91Å; L209-F235 HydrophobicContact CD2-CE2 3.68Å; L209-F235 HydrophobicContact CG-CD2 3.95Å; L209-F235 HydrophobicContact CG-CE2 3.98Å; L209-F235 WeakPolarHBondContact O-CA 3.21Å; L209-S236 PolarHBondContact O-N 2.91Å
210	I	98.8	Very high	96.9	Very high	17 Å²	17	41.4 Å²	41.4	9%	0.087	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	116.6	179.3	-49.9	-173.1	0	0	0	108.4	L185 R186 V187 D188 D212	L185-I210 PolarHBondContact O-N 2.91Å; R186-I210 HydrophobicContact CG-CB 4.14Å; R186-I210 HydrophobicContact CG-CD1 4.15Å; R186-I210 HydrophobicContact CG-CG1 4.3Å; V187-I210 PolarHBondContact N-O 2.88Å; D188-I210 HydrophobicContact CB-CG2 4.05Å; I210-D212 HydrophobicContact CG2-CB 4.2Å
211	V	98.5	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.			trans	-129	31.7	179.9	-64.7	0	0	0	0	109.7	V187 L209 N214 L216 F235 S236 I237 N240	V187-V211 HydrophobicContact CG2-CB 4.23Å; V187-V211 HydrophobicContact CG2-CG1 3.5Å; V187-V211 VanDerWaalsContact CG2-CG1 3.5Å; L209-V211 HydrophobicContact CD1-CG1 3.94Å; L209-V211 HydrophobicContact CG-CG1 4.28Å; V211-N214 PolarHBondContact O-ND2 2.76Å; V211-L216 HydrophobicContact CB-CD1 4.22Å; V211-L216 HydrophobicContact CG2-CD1 4Å; V211-F235 HydrophobicContact CG2-CE2 4.09Å; V211-S236 WeakPolarHBondContact CG2-O 3.34Å; V211-S236 PolarHBondContact N-O 2.92Å; V211-I237 HydrophobicContact CG2-CB 4.28Å; V211-I237 HydrophobicContact CG2-CG2 3.2Å; V211-N240 PolarHBondContact O-ND2 2.71Å
212	D	98.6	Very high	97.4	Very high	27 Å²	27	38.7 Å²	38.7	14%	0.144	20%	0.204	C	C	.	.			trans	-66.7	157.6	-176.7	-65	-17.5	0	0	0	111.7	D188 E189 I210 N214 S236 I237 V238	D188-D212 CarbonylContact C-O 3.47Å; D188-D212 WeakPolarHBondContact CA-O 3.27Å; D188-D212 HydrophobicContact CB-CB 4.01Å; D188-D212 WeakPolarHBondContact CB-O 3.41Å; E189-D212 PolarHBondContact N-O 3.15Å; I210-D212 HydrophobicContact CG2-CB 4.2Å; D212-N214 PolarHBondContact O-N 2.64Å; D212-N214 PolarHBondContact O-ND2 2.59Å; D212-S236 WeakPolarHBondContact OD1-CB 3.48Å; D212-S236 PolarHBondContact OD1-OG 2.97Å; D212-S236 WeakPolarHBondContact OD2-CB 3.16Å; D212-S236 PolarHBondContact OD2-OG 2.85Å; D212-I237 PolarHBondContact OD1-N 3.02Å; D212-I237 VanDerWaalsContact OD1-N 3.09Å; D212-V238 CarbonylContact C-O 3.21Å; D212-V238 WeakPolarHBondContact CA-O 3.3Å; D212-V238 HydrophobicContact CB-CB 4.27Å; D212-V238 WeakPolarHBondContact OD1-CB 3.31Å; D212-V238 PolarHBondContact OD1-N 2.88Å
213	G	98.5	Very high	97.5	Very high	17 Å²	17	42.8 Å²	42.8	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	60.5	46.3	173.2	0	0	0	0	0	113.9	E189 N190 V238 R239	E189-G213 CarbonylContact C-O 3.48Å; E189-G213 VanDerWaalsContact CA-O 3.25Å; E189-G213 WeakPolarHBondContact CA-O 3.1Å; E189-G213 WeakPolarHBondContact OE1-CA 3.23Å; N190-G213 PolarHBondContact N-O 2.91Å; G213-V238 PolarHBondContact N-O 3.14Å; G213-R239 CarbonylContact C-O 3.51Å; G213-R239 WeakPolarHBondContact CA-O 3.12Å; G213-R239 PolarHBondContact N-O 2.84Å
214	N	98.8	Very high	97.2	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-128.3	179.4	-174.8	-89.3	-79.2	0	0	0	111.1	V187 N190 R191 I192 V211 D212 L216 R239 N240	V187-N214 PolarHBondContact O-ND2 3.43Å; N190-N214 WeakPolarHBondContact CA-OD1 3.35Å; N190-N214 WeakPolarHBondContact CB-OD1 3.48Å; N190-N214 PolarHBondContact O-OD1 2.97Å; R191-N214 PolarHBondContact N-OD1 2.87Å; I192-N214 HydrophobicContact CB-CB 4.31Å; I192-N214 WeakPolarHBondContact CB-OD1 3.2Å; I192-N214 WeakPolarHBondContact CG1-OD1 3.44Å; I192-N214 PolarHBondContact N-OD1 2.87Å; V211-N214 PolarHBondContact O-ND2 2.76Å; D212-N214 PolarHBondContact O-N 2.64Å; D212-N214 PolarHBondContact O-ND2 2.59Å; N214-L216 HydrophobicContact CB-CG 4.39Å; N214-R239 PolarHBondContact N-O 2.86Å; N214-R239 VanDerWaalsContact N-O 3.15Å; N214-N240 WeakPolarHBondContact CA-OD1 3.39Å; N214-N240 WeakPolarHBondContact CB-OD1 3.49Å; N214-N240 PolarHBondContact O-OD1 3.45Å; N214-N240 VanDerWaalsContact O-OD1 3.08Å
215	L	98.3	Very high	97.2	Very high	102 Å²	102	40.9 Å²	40.9	53%	0.534	21%	0.213	S	C	.	.			trans	-97.3	22	-176.8	-57.5	180	0	0	0	112.4	R191 I192 A193 T217	R191-L215 HydrophobicContact CB-CD1 4.16Å; I192-L215 CarbonylContact O-C 3.59Å; I192-L215 WeakPolarHBondContact O-CA 3.36Å; I192-L215 PolarHBondContact O-N 2.97Å; A193-L215 HydrophobicContact CB-CB 4.23Å; L215-T217 PolarHBondContact O-N 2.95Å
216	L	98.4	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.			trans	-67	134.1	-174.5	-64.9	168.9	0	0	0	111.5	I192 I195 V211 N214 I221 I237 N240 S241 L242	I192-L216 HydrophobicContact CG2-CD2 3.79Å; I192-L216 HydrophobicContact CG2-CG 4.44Å; I192-L216 PolarHBondContact O-N 3.48Å; I195-L216 HydrophobicContact CD1-CD1 3.97Å; I195-L216 HydrophobicContact CD1-CD2 3.74Å; I195-L216 HydrophobicContact CG1-CD2 3.83Å; V211-L216 HydrophobicContact CB-CD1 4.22Å; V211-L216 HydrophobicContact CG2-CD1 4Å; N214-L216 HydrophobicContact CB-CG 4.39Å; L216-I221 HydrophobicContact CD2-CG1 4.46Å; L216-I237 HydrophobicContact CD1-CG2 4.49Å; L216-N240 HydrophobicContact CB-CB 4.34Å; L216-N240 WeakPolarHBondContact CB-OD1 3.22Å; L216-N240 WeakPolarHBondContact CG-OD1 3.3Å; L216-N240 PolarHBondContact N-OD1 2.85Å; L216-N240 VanDerWaalsContact N-OD1 3.12Å; L216-S241 CarbonylContact O-C 3.57Å; L216-S241 VanDerWaalsContact O-C 3.23Å; L216-S241 VanDerWaalsContact O-CA 3.26Å; L216-S241 WeakPolarHBondContact O-CA 3.44Å; L216-S241 WeakPolarHBondContact O-CB 3.37Å; L216-S241 PolarHBondContact O-N 3.19Å; L216-L242 HydrophobicContact CB-CD2 4.38Å
217	T	98.1	Very high	96.7	Very high	59 Å²	59	43 Å²	43	36%	0.362	23%	0.227	S	C	.	.			trans	-121.4	162	165.4	67.7	0	0	0	0	108.7	L215 K219 G220 I221	L215-T217 PolarHBondContact O-N 2.95Å; T217-K219 PolarHBondContact O-N 3.14Å; T217-K219 VanDerWaalsContact O-N 3.11Å; T217-G220 PolarHBondContact O-N 3.41Å; T217-G220 PolarHBondContact OG1-N 3.27Å; T217-I221 PolarHBondContact O-N 3.1Å
218	N	96.9	Very high	96.4	Very high	16 Å²	16	45.2 Å²	45.2	9%	0.086	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.9	177.9	-65.1	90.3	0	0	0	113.7	G220 L242 T243 Y244	N218-G220 VanDerWaalsContact C-N 3.33Å; N218-L242 WeakPolarHBondContact OD1-CA 3.08Å; N218-T243 PolarHBondContact OD1-N 3.35Å; N218-T243 PolarHBondContact OD1-OG1 2.8Å; N218-Y244 HydrophobicContact CB-CD1 4.29Å; N218-Y244 HydrophobicContact CB-CE1 3.6Å; N218-Y244 HydrophobicContact CB-CE2 4.12Å; N218-Y244 WeakPolarHBondContact ND2-CD2 3.08Å; N218-Y244 WeakPolarHBondContact ND2-CE2 3.19Å; N218-Y244 PolarHBondContact ND2-O 2.69Å; N218-Y244 PolarHBondContact OD1-N 2.7Å
219	K	96.3	Very high	96.2	Very high	207 Å²	207	41.8 Å²	41.8	90%	0.9	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-75.5	-20.4	175.3	-66.4	-174	177.2	-175.6	0	113.6	T217	T217-K219 PolarHBondContact O-N 3.14Å; T217-K219 VanDerWaalsContact O-N 3.11Å
220	G	96.4	Very high	96	Very high	7 Å²	7	44.1 Å²	44.1	7%	0.072	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-82.4	-14.9	175.8	0	0	0	0	0	113.4	A193 V194 I195 T217 N218	A193-G220 WeakPolarHBondContact O-CA 3.18Å; V194-G220 CarbonylContact C-O 3.24Å; V194-G220 VanDerWaalsContact CA-O 3.29Å; V194-G220 WeakPolarHBondContact CA-O 3.34Å; I195-G220 PolarHBondContact N-O 2.85Å; T217-G220 PolarHBondContact O-N 3.41Å; T217-G220 PolarHBondContact OG1-N 3.27Å; N218-G220 VanDerWaalsContact C-N 3.33Å
221	I	97.5	Very high	96	Very high	18 Å²	18	47.2 Å²	47.2	9%	0.092	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-96	115.8	180	-62.1	176	0	0	0	108.4	L216 T217 T225 F226 L242 P246	L216-I221 HydrophobicContact CD2-CG1 4.46Å; T217-I221 PolarHBondContact O-N 3.1Å; I221-T225 HydrophobicContact CG2-CG2 3.79Å; I221-F226 HydrophobicContact CD1-CE2 4.32Å; I221-F226 HydrophobicContact CD1-CZ 4.45Å; I221-F226 HydrophobicContact CG2-CD2 4.41Å; I221-F226 HydrophobicContact CG2-CE2 3.58Å; I221-F226 HydrophobicContact CG2-CZ 4.11Å; I221-L242 HydrophobicContact CD1-CD2 3.83Å; I221-P246 HydrophobicContact CD1-CG 4.11Å
222	A	96.3	Very high	95.9	Very high	29 Å²	29	47.2 Å²	47.2	24%	0.24	25%	0.254	C	S	.	.			trans	-62.9	142.5	174	0	0	0	0	0	112	I195 D197 G224 T225	I195-A222 WeakPolarHBondContact O-CB 3.32Å; I195-A222 PolarHBondContact O-N 2.94Å; D197-A222 HydrophobicContact CB-CB 4.14Å; D197-A222 VanDerWaalsContact N-CB 3.33Å; A222-G224 PolarHBondContact O-N 3.3Å; A222-T225 WeakPolarHBondContact O-CB 3.39Å; A222-T225 VanDerWaalsContact O-CG2 3.26Å; A222-T225 WeakPolarHBondContact O-CG2 3.19Å; A222-T225 PolarHBondContact O-N 3.36Å
223	E	91.9	Very high	95.9	Very high	184 Å²	184	49.4 Å²	49.4	86%	0.86	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	137.8	179.6	-62.6	-172.7	163.5	0	0	111.2	T225	E223-T225 PolarHBondContact O-N 2.95Å
224	G	89.5	Confident	96	Very high	23 Å²	23	49.4 Å²	49.4	24%	0.237	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-2	178.9	0	0	0	0	0	117.2	A222 F226 S227	A222-G224 PolarHBondContact O-N 3.3Å; G224-F226 VanDerWaalsContact C-N 3.25Å; G224-F226 PolarHBondContact O-N 3.41Å; G224-F226 VanDerWaalsContact O-N 3.09Å; G224-S227 VanDerWaalsContact O-CB 3.23Å; G224-S227 WeakPolarHBondContact O-CB 3.17Å; G224-S227 PolarHBondContact O-N 3.17Å; G224-S227 PolarHBondContact O-OG 3.49Å
225	T	95.3	Very high	95.9	Very high	3 Å²	3	49 Å²	49	2%	0.018	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.8	-172.7	-172.4	0	0	0	0	114.2	I195 S196 I221 A222 E223	I195-T225 HydrophobicContact CG2-CG2 3.93Å; S196-T225 PolarHBondContact O-OG1 2.79Å; I221-T225 HydrophobicContact CG2-CG2 3.79Å; A222-T225 WeakPolarHBondContact O-CB 3.39Å; A222-T225 VanDerWaalsContact O-CG2 3.26Å; A222-T225 WeakPolarHBondContact O-CG2 3.19Å; A222-T225 PolarHBondContact O-N 3.36Å; E223-T225 PolarHBondContact O-N 2.95Å
226	F	95.3	Very high	96	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.013	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.1	178.1	-54.1	-64.1	0	0	0	114.7	I195 F200 L209 I221 G224 H228 L229 F235 P246 L249	I195-F226 HydrophobicContact CD1-CZ 4.24Å; F200-F226 HydrophobicContact CD2-CD1 4.09Å; F200-F226 HydrophobicContact CD2-CE1 4.14Å; F200-F226 AromaticContact CE2-CD1 3.97Å; F200-F226 HydrophobicContact CE2-CD1 3.97Å; F200-F226 AromaticContact CE2-CE1 3.57Å; F200-F226 HydrophobicContact CE2-CE1 3.57Å; F200-F226 HydrophobicContact CZ-CE1 4.48Å; L209-F226 HydrophobicContact CD2-CD1 4.13Å; L209-F226 HydrophobicContact CD2-CE1 4Å; I221-F226 HydrophobicContact CD1-CE2 4.32Å; I221-F226 HydrophobicContact CD1-CZ 4.45Å; I221-F226 HydrophobicContact CG2-CD2 4.41Å; I221-F226 HydrophobicContact CG2-CE2 3.58Å; I221-F226 HydrophobicContact CG2-CZ 4.11Å; G224-F226 VanDerWaalsContact C-N 3.25Å; G224-F226 PolarHBondContact O-N 3.41Å; G224-F226 VanDerWaalsContact O-N 3.09Å; F226-H228 PolarHBondContact O-N 3.09Å; F226-L229 HydrophobicContact CB-CD1 4.38Å; F226-L229 HydrophobicContact CD1-CD1 4.1Å; F226-L229 WeakPolarHBondContact O-CB 3.41Å; F226-L229 PolarHBondContact O-N 3.07Å; F226-L229 VanDerWaalsContact O-N 3.12Å; F226-F235 HydrophobicContact CD1-CE2 4.36Å; F226-F235 HydrophobicContact CD1-CZ 4.1Å; F226-F235 HydrophobicContact CD2-CZ 4.45Å; F226-F235 AromaticContact CE1-CE2 3.86Å; F226-F235 HydrophobicContact CE1-CE2 3.86Å; F226-F235 AromaticContact CE1-CZ 3.58Å; F226-F235 HydrophobicContact CE1-CZ 3.58Å; F226-F235 HydrophobicContact CE2-CE1 4.38Å; F226-F235 AromaticContact CE2-CZ 3.97Å; F226-F235 HydrophobicContact CE2-CZ 3.97Å; F226-F235 HydrophobicContact CZ-CE1 4.36Å; F226-F235 HydrophobicContact CZ-CE2 4.22Å; F226-F235 AromaticContact CZ-CZ 3.52Å; F226-F235 HydrophobicContact CZ-CZ 3.52Å; F226-P246 HydrophobicContact CD2-CB 4.25Å; F226-P246 HydrophobicContact CE2-CB 3.96Å; F226-P246 HydrophobicContact CE2-CG 4.3Å; F226-L249 HydrophobicContact CB-CD2 4.14Å; F226-L249 HydrophobicContact CD2-CD2 3.9Å; F226-L249 HydrophobicContact CG-CD2 4.19Å
227	S	92.3	Very high	96	Very high	51 Å²	51	44.6 Å²	44.6	36%	0.357	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.9	-168.6	68.2	0	0	0	0	113.7	G224 L229	G224-S227 VanDerWaalsContact O-CB 3.23Å; G224-S227 WeakPolarHBondContact O-CB 3.17Å; G224-S227 PolarHBondContact O-N 3.17Å; G224-S227 PolarHBondContact O-OG 3.49Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.36Å
228	H	90.4	Very high	96	Very high	108 Å²	108	42.7 Å²	42.7	50%	0.5	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.9	179.9	-59.5	-53.8	0	0	0	114.2	F226 S230	F226-H228 PolarHBondContact O-N 3.09Å; H228-S230 PolarHBondContact O-N 2.8Å
229	L	96	Very high	96.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.			trans	-78.3	60.7	-175.9	-57.5	176.3	0	0	0	111.6	F200 L203 L206 L209 F226 S227 K231 L232 P250	F200-L229 HydrophobicContact CB-CD2 4.15Å; L203-L229 HydrophobicContact CB-CD2 3.79Å; L203-L229 WeakPolarHBondContact O-CD2 3.2Å; L206-L229 HydrophobicContact CB-CD2 4.12Å; L206-L229 HydrophobicContact CD2-CD1 4.32Å; L206-L229 HydrophobicContact CD2-CD2 3.96Å; L209-L229 HydrophobicContact CD2-CD1 3.98Å; F226-L229 HydrophobicContact CB-CD1 4.38Å; F226-L229 HydrophobicContact CD1-CD1 4.1Å; F226-L229 WeakPolarHBondContact O-CB 3.41Å; F226-L229 PolarHBondContact O-N 3.07Å; F226-L229 VanDerWaalsContact O-N 3.12Å; S227-L229 VanDerWaalsContact C-N 3.33Å; S227-L229 PolarHBondContact O-N 3.36Å; L229-K231 VanDerWaalsContact C-N 3.25Å; L229-K231 PolarHBondContact O-N 2.94Å; L229-K231 VanDerWaalsContact O-N 3.11Å; L229-L232 HydrophobicContact CB-CB 4.03Å; L229-L232 HydrophobicContact CB-CD2 4.24Å; L229-L232 HydrophobicContact CD1-CD2 4.09Å; L229-L232 WeakPolarHBondContact O-CB 3.45Å; L229-L232 PolarHBondContact O-N 2.76Å; L229-P250 HydrophobicContact CB-CG 4.24Å
230	S	94.3	Very high	96.2	Very high	49 Å²	49	39.1 Å²	39.1	34%	0.343	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	-164.7	66.8	0	0	0	0	115.9	H228 T252 H253	H228-S230 PolarHBondContact O-N 2.8Å; S230-T252 PolarHBondContact O-OG1 3.15Å; S230-H253 PolarHBondContact O-ND1 2.77Å
231	K	97.6	Very high	96.3	Very high	81 Å²	81	40.6 Å²	40.6	35%	0.352	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	0.8	173.1	-67.3	-176.8	-145.5	161.8	0	114.2	T204 S205 L206 L229 K233	T204-K231 WeakPolarHBondContact O-CB 3.11Å; T204-K231 WeakPolarHBondContact O-CD 3.49Å; T204-K231 VanDerWaalsContact O-CE 3.23Å; T204-K231 WeakPolarHBondContact O-CE 3.12Å; T204-K231 WeakPolarHBondContact O-CG 3.17Å; S205-K231 PolarHBondContact OG-NZ 3.48Å; L206-K231 CarbonylContact O-C 3.23Å; L206-K231 VanDerWaalsContact O-C 3.23Å; L229-K231 VanDerWaalsContact C-N 3.25Å; L229-K231 PolarHBondContact O-N 2.94Å; L229-K231 VanDerWaalsContact O-N 3.11Å; K231-K233 WeakPolarHBondContact O-CG 3.17Å; K231-K233 PolarHBondContact O-N 3.24Å
232	L	98.3	Very high	96.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.206	C	C	.	.			trans	-59.3	122.9	-174.4	-167.5	67	0	0	0	111.1	L206 L209 L229 F235 P250 H253 L254	L206-L232 VanDerWaalsContact O-CA 3.3Å; L206-L232 WeakPolarHBondContact O-CA 3.47Å; L206-L232 PolarHBondContact O-N 2.84Å; L206-L232 VanDerWaalsContact O-N 3.09Å; L209-L232 HydrophobicContact CB-CD1 3.85Å; L229-L232 HydrophobicContact CB-CB 4.03Å; L229-L232 HydrophobicContact CB-CD2 4.24Å; L229-L232 HydrophobicContact CD1-CD2 4.09Å; L229-L232 WeakPolarHBondContact O-CB 3.45Å; L229-L232 PolarHBondContact O-N 2.76Å; L232-F235 HydrophobicContact CD2-CB 4.05Å; L232-F235 HydrophobicContact CD2-CG 4.38Å; L232-P250 HydrophobicContact CB-CG 4.16Å; L232-P250 HydrophobicContact CD2-CG 4Å; L232-H253 CarbonylContact O-C 3.01Å; L232-H253 WeakPolarHBondContact O-CB 3.46Å; L232-L254 HydrophobicContact CD2-CD1 4.21Å; L232-L254 HydrophobicContact CG-CD1 4.05Å; L232-L254 WeakPolarHBondContact O-CA 3.27Å; L232-L254 PolarHBondContact O-N 3.06Å
233	K	98.6	Very high	96.4	Very high	72 Å²	72	41 Å²	41	31%	0.313	21%	0.211	S	C	.	.			trans	-105.9	-30.4	-179.4	-64	171.3	-174	168	0	112	E207 K231 L255 R256	E207-K233 HydrophobicContact CB-CD 4.25Å; E207-K233 VanDerWaalsContact CD-CE 3.5Å; E207-K233 WeakPolarHBondContact O-CA 3.17Å; E207-K233 WeakPolarHBondContact O-CB 3.41Å; E207-K233 PolarHBondContact O-N 3.46Å; E207-K233 VanDerWaalsContact OE1-CE 3.31Å; E207-K233 WeakPolarHBondContact OE1-CE 3.22Å; E207-K233 IonicContact OE1-NZ 3.19Å; E207-K233 PolarHBondContact OE1-NZ 3.04Å; E207-K233 WeakPolarHBondContact OE2-CE 3.42Å; E207-K233 IonicContact OE2-NZ 3.84Å; E207-K233 PolarHBondContact OE2-NZ 3.44Å; K231-K233 WeakPolarHBondContact O-CG 3.17Å; K231-K233 PolarHBondContact O-N 3.24Å; K233-L255 WeakPolarHBondContact O-CA 3.47Å; K233-L255 PolarHBondContact O-N 3.35Å; K233-R256 PolarHBondContact O-N 2.84Å
234	E	98.8	Very high	96.7	Very high	17 Å²	17	36.1 Å²	36.1	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.8	-176.2	-173.5	162.1	87.5	0	0	110.6	E207 R208 L209 R256 Y258	E207-E234 PolarHBondContact O-N 3.34Å; E207-E234 VanDerWaalsContact O-N 3.15Å; R208-E234 WeakPolarHBondContact CA-O 3.13Å; R208-E234 HydrophobicContact CG-CB 4.18Å; R208-E234 IonicContact CZ-OE1 3.75Å; R208-E234 IonicContact NE-OE1 3.2Å; R208-E234 PolarHBondContact NE-OE1 2.67Å; R208-E234 IonicContact NH2-OE1 2.64Å; R208-E234 PolarHBondContact NH2-OE1 3.31Å; L209-E234 PolarHBondContact N-O 3.22Å; E234-R256 WeakPolarHBondContact CA-O 3.44Å; E234-R256 HydrophobicContact CG-CB 4.19Å; E234-R256 WeakPolarHBondContact OE2-CD 3.32Å; E234-R256 IonicContact OE2-CZ 3.58Å; E234-R256 IonicContact OE2-NE 3.18Å; E234-R256 IonicContact OE2-NH1 3.71Å; E234-R256 PolarHBondContact OE2-NH1 3.03Å; E234-Y258 HydrophobicContact CG-CD2 4.38Å; E234-Y258 HydrophobicContact CG-CE2 3.94Å
235	F	98.7	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.2	176.5	-176.4	-139	0	0	0	110.3	L209 V211 F226 L232 I237 L249 L254 R256 L257 Y258	L209-F235 HydrophobicContact CB-CD2 4.04Å; L209-F235 HydrophobicContact CD2-CD2 3.91Å; L209-F235 HydrophobicContact CD2-CE2 3.68Å; L209-F235 HydrophobicContact CG-CD2 3.95Å; L209-F235 HydrophobicContact CG-CE2 3.98Å; L209-F235 WeakPolarHBondContact O-CA 3.21Å; V211-F235 HydrophobicContact CG2-CE2 4.09Å; F226-F235 HydrophobicContact CD1-CE2 4.36Å; F226-F235 HydrophobicContact CD1-CZ 4.1Å; F226-F235 HydrophobicContact CD2-CZ 4.45Å; F226-F235 AromaticContact CE1-CE2 3.86Å; F226-F235 HydrophobicContact CE1-CE2 3.86Å; F226-F235 AromaticContact CE1-CZ 3.58Å; F226-F235 HydrophobicContact CE1-CZ 3.58Å; F226-F235 HydrophobicContact CE2-CE1 4.38Å; F226-F235 AromaticContact CE2-CZ 3.97Å; F226-F235 HydrophobicContact CE2-CZ 3.97Å; F226-F235 HydrophobicContact CZ-CE1 4.36Å; F226-F235 HydrophobicContact CZ-CE2 4.22Å; F226-F235 AromaticContact CZ-CZ 3.52Å; F226-F235 HydrophobicContact CZ-CZ 3.52Å; L232-F235 HydrophobicContact CD2-CB 4.05Å; L232-F235 HydrophobicContact CD2-CG 4.38Å; F235-I237 HydrophobicContact CE1-CD1 4Å; F235-I237 HydrophobicContact CE1-CG1 4.29Å; F235-I237 HydrophobicContact CE1-CG2 4.01Å; F235-I237 HydrophobicContact CE2-CG2 3.72Å; F235-I237 HydrophobicContact CZ-CD1 4.38Å; F235-I237 HydrophobicContact CZ-CG1 4.47Å; F235-I237 HydrophobicContact CZ-CG2 3.36Å; F235-L249 HydrophobicContact CD1-CD2 3.89Å; F235-L249 HydrophobicContact CE1-CD2 3.69Å; F235-L254 HydrophobicContact CB-CD1 3.97Å; F235-R256 PolarHBondContact N-O 2.93Å; F235-L257 HydrophobicContact CB-CD1 4.14Å; F235-L257 HydrophobicContact CD1-CD1 3.62Å; F235-L257 HydrophobicContact CG-CD1 4.3Å; F235-Y258 PolarHBondContact O-N 2.7Å
236	S	98.8	Very high	97.1	Very high	9 Å²	9	35 Å²	35	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.7	-178	-148.1	0	0	0	0	110.1	L209 V211 D212 Y258	L209-S236 PolarHBondContact O-N 2.91Å; V211-S236 WeakPolarHBondContact CG2-O 3.34Å; V211-S236 PolarHBondContact N-O 2.92Å; D212-S236 WeakPolarHBondContact OD1-CB 3.48Å; D212-S236 PolarHBondContact OD1-OG 2.97Å; D212-S236 WeakPolarHBondContact OD2-CB 3.16Å; D212-S236 PolarHBondContact OD2-OG 2.85Å; S236-Y258 WeakPolarHBondContact OG-CB 3.1Å
237	I	98.4	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.			trans	-130.5	33.6	176	43.9	173.6	0	0	0	110.1	V211 D212 L216 F235 N240 L242 P246 Y258 L259 N262	V211-I237 HydrophobicContact CG2-CB 4.28Å; V211-I237 HydrophobicContact CG2-CG2 3.2Å; D212-I237 PolarHBondContact OD1-N 3.02Å; D212-I237 VanDerWaalsContact OD1-N 3.09Å; L216-I237 HydrophobicContact CD1-CG2 4.49Å; F235-I237 HydrophobicContact CE1-CD1 4Å; F235-I237 HydrophobicContact CE1-CG1 4.29Å; F235-I237 HydrophobicContact CE1-CG2 4.01Å; F235-I237 HydrophobicContact CE2-CG2 3.72Å; F235-I237 HydrophobicContact CZ-CD1 4.38Å; F235-I237 HydrophobicContact CZ-CG1 4.47Å; F235-I237 HydrophobicContact CZ-CG2 3.36Å; I237-N240 PolarHBondContact O-ND2 2.97Å; I237-L242 HydrophobicContact CB-CD1 4.1Å; I237-L242 HydrophobicContact CD1-CD1 3.3Å; I237-L242 HydrophobicContact CG1-CD1 4.08Å; I237-P246 HydrophobicContact CD1-CG 3.62Å; I237-Y258 WeakPolarHBondContact CG1-O 3.23Å; I237-Y258 PolarHBondContact N-O 2.91Å; I237-Y258 VanDerWaalsContact N-O 3.12Å; I237-L259 HydrophobicContact CD1-CD2 3.25Å; I237-L259 HydrophobicContact CG1-CD2 3.54Å; I237-N262 PolarHBondContact O-ND2 2.97Å
238	V	98.7	Very high	96.8	Very high	18 Å²	18	39.9 Å²	39.9	11%	0.109	20%	0.199	C	C	.	.			trans	-67.7	151.2	-178.4	176.7	0	0	0	0	110.7	D212 G213 N240 Q260 D261	D212-V238 CarbonylContact C-O 3.21Å; D212-V238 WeakPolarHBondContact CA-O 3.3Å; D212-V238 HydrophobicContact CB-CB 4.27Å; D212-V238 WeakPolarHBondContact OD1-CB 3.31Å; D212-V238 PolarHBondContact OD1-N 2.88Å; G213-V238 PolarHBondContact N-O 3.14Å; V238-N240 PolarHBondContact O-ND2 2.8Å; V238-Q260 VanDerWaalsContact CA-O 3.26Å; V238-Q260 WeakPolarHBondContact CA-O 3.33Å; V238-Q260 HydrophobicContact CG1-CB 4.06Å; V238-Q260 HydrophobicContact CG2-CB 4.26Å; V238-D261 HydrophobicContact CG1-CB 4.42Å
239	R	98.6	Very high	97	Very high	141 Å²	141	35.1 Å²	35.1	53%	0.532	18%	0.177	S	C	.	.	S	Bend	trans	52.7	59.4	-178.4	-68.4	-173.1	-60.5	-154.7	4.4	112.3	E189 G213 N214 Q260 D261	E189-R239 IonicContact OE1-CZ 3.59Å; E189-R239 IonicContact OE1-NE 2.83Å; E189-R239 IonicContact OE1-NH2 2.7Å; E189-R239 PolarHBondContact OE1-NH2 2.83Å; E189-R239 IonicContact OE2-CZ 3.81Å; E189-R239 IonicContact OE2-NH2 3.59Å; E189-R239 PolarHBondContact OE2-NH2 2.69Å; E189-R239 VanDerWaalsContact OE2-NH2 3.15Å; G213-R239 CarbonylContact C-O 3.51Å; G213-R239 WeakPolarHBondContact CA-O 3.12Å; G213-R239 PolarHBondContact N-O 2.84Å; N214-R239 PolarHBondContact N-O 2.86Å; N214-R239 VanDerWaalsContact N-O 3.15Å; R239-Q260 PolarHBondContact N-O 2.99Å; R239-Q260 VanDerWaalsContact N-O 3.12Å; R239-D261 WeakPolarHBondContact CA-O 3.28Å; R239-D261 HydrophobicContact CG-CB 3.78Å; R239-D261 PolarHBondContact N-O 2.84Å
240	N	98.6	Very high	97	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	18%	0.18	C	C	.	.	S	Bend	trans	-135.3	-178.4	176.9	-85.2	-86	0	0	0	110	V211 N214 L216 I237 V238 L242 D261 N262	V211-N240 PolarHBondContact O-ND2 2.71Å; N214-N240 WeakPolarHBondContact CA-OD1 3.39Å; N214-N240 WeakPolarHBondContact CB-OD1 3.49Å; N214-N240 PolarHBondContact O-OD1 3.45Å; N214-N240 VanDerWaalsContact O-OD1 3.08Å; L216-N240 HydrophobicContact CB-CB 4.34Å; L216-N240 WeakPolarHBondContact CB-OD1 3.22Å; L216-N240 WeakPolarHBondContact CG-OD1 3.3Å; L216-N240 PolarHBondContact N-OD1 2.85Å; L216-N240 VanDerWaalsContact N-OD1 3.12Å; I237-N240 PolarHBondContact O-ND2 2.97Å; V238-N240 PolarHBondContact O-ND2 2.8Å; N240-L242 HydrophobicContact CB-CG 4.43Å; N240-D261 PolarHBondContact N-O 2.85Å; N240-N262 WeakPolarHBondContact CB-OD1 3.17Å; N240-N262 WeakPolarHBondContact O-CA 3.37Å; N240-N262 PolarHBondContact O-OD1 3.01Å
241	S	98.3	Very high	96.8	Very high	38 Å²	38	33.9 Å²	33.9	27%	0.266	17%	0.171	S	C	.	.			trans	-111	41.5	-176.9	-64.6	0	0	0	0	113	L216 Q263	L216-S241 CarbonylContact O-C 3.57Å; L216-S241 VanDerWaalsContact O-C 3.23Å; L216-S241 VanDerWaalsContact O-CA 3.26Å; L216-S241 WeakPolarHBondContact O-CA 3.44Å; L216-S241 WeakPolarHBondContact O-CB 3.37Å; L216-S241 PolarHBondContact O-N 3.19Å; S241-Q263 PolarHBondContact OG-NE2 3.08Å
242	L	98.4	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.			trans	-80.7	136.9	177.5	-55	174.4	0	0	0	111.3	L216 N218 I221 I237 N240 P246 N262 Q263 I264	L216-L242 HydrophobicContact CB-CD2 4.38Å; N218-L242 WeakPolarHBondContact OD1-CA 3.08Å; I221-L242 HydrophobicContact CD1-CD2 3.83Å; I237-L242 HydrophobicContact CB-CD1 4.1Å; I237-L242 HydrophobicContact CD1-CD1 3.3Å; I237-L242 HydrophobicContact CG1-CD1 4.08Å; N240-L242 HydrophobicContact CB-CG 4.43Å; L242-P246 HydrophobicContact CD1-CG 4.32Å; L242-N262 VanDerWaalsContact CB-OD1 3.24Å; L242-N262 WeakPolarHBondContact CB-OD1 3.25Å; L242-N262 VanDerWaalsContact CG-OD1 3.32Å; L242-N262 WeakPolarHBondContact CG-OD1 3.26Å; L242-N262 PolarHBondContact N-OD1 2.89Å; L242-Q263 CarbonylContact O-C 3.51Å; L242-Q263 VanDerWaalsContact O-CA 3.25Å; L242-Q263 WeakPolarHBondContact O-CA 3.49Å; L242-Q263 PolarHBondContact O-N 2.95Å; L242-I264 PolarHBondContact O-N 3.27Å; L242-I264 VanDerWaalsContact O-N 3.09Å
243	T	98.2	Very high	96.6	Very high	55 Å²	55	37 Å²	37	34%	0.337	19%	0.191	S	C	.	.	S	Bend	trans	-103.3	-12.6	179.8	62.1	0	0	0	0	113.6	N218 Q263 I264 T265	N218-T243 PolarHBondContact OD1-N 3.35Å; N218-T243 PolarHBondContact OD1-OG1 2.8Å; T243-Q263 HydrophobicContact CG2-CB 4.49Å; T243-I264 WeakPolarHBondContact O-CA 3.48Å; T243-T265 PolarHBondContact O-N 2.85Å; T243-T265 PolarHBondContact O-OG1 2.93Å; T243-T265 VanDerWaalsContact O-OG1 3.08Å
244	Y	97.9	Very high	96.6	Very high	82 Å²	82	33.6 Å²	33.6	32%	0.322	18%	0.177	S	C	.	.	S	Bend	trans	-148.7	158.5	166.9	53.1	-82.9	0	0	0	109.8	N218	N218-Y244 HydrophobicContact CB-CD1 4.29Å; N218-Y244 HydrophobicContact CB-CE1 3.6Å; N218-Y244 HydrophobicContact CB-CE2 4.12Å; N218-Y244 WeakPolarHBondContact ND2-CD2 3.08Å; N218-Y244 WeakPolarHBondContact ND2-CE2 3.19Å; N218-Y244 PolarHBondContact ND2-O 2.69Å; N218-Y244 PolarHBondContact OD1-N 2.7Å
245	P	97.4	Very high	96.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.7	147.4	174.3	-20.7	33.5	0	0	0	111.7	L259 I264 I267 A271 F272	P245-L259 HydrophobicContact CB-CD1 4.07Å; P245-L259 HydrophobicContact CG-CD1 4.12Å; P245-I264 HydrophobicContact CG-CD1 4.3Å; P245-I267 HydrophobicContact CG-CD1 4.43Å; P245-I267 HydrophobicContact CG-CG1 4.06Å; P245-I267 HydrophobicContact CG-CG2 4.14Å; P245-A271 HydrophobicContact CB-CB 4.39Å; P245-F272 HydrophobicContact CB-CE1 4.18Å; P245-F272 HydrophobicContact CB-CZ 4.44Å; P245-F272 HydrophobicContact CG-CE1 4.29Å; P245-F272 HydrophobicContact CG-CZ 4.07Å
246	P	95.5	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-58.4	142	177.2	-24	34.3	0	0	0	112.5	I221 F226 I237 L242 L249	I221-P246 HydrophobicContact CD1-CG 4.11Å; F226-P246 HydrophobicContact CD2-CB 4.25Å; F226-P246 HydrophobicContact CE2-CB 3.96Å; F226-P246 HydrophobicContact CE2-CG 4.3Å; I237-P246 HydrophobicContact CD1-CG 3.62Å; L242-P246 HydrophobicContact CD1-CG 4.32Å; P246-L249 HydrophobicContact CB-CD2 4.26Å
247	P	91.7	Very high	96.6	Very high	58 Å²	58	38.6 Å²	38.6	38%	0.377	20%	0.196	S	C	.	.	S	Bend	trans	-72.5	167.7	174.7	33	-36.1	0	0	0	112	L249	P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 2.84Å; P247-L249 VanDerWaalsContact O-N 3.1Å
248	D	90.3	Very high	96.6	Very high	99 Å²	99	40.5 Å²	40.5	53%	0.529	20%	0.204	S	C	.	.	S	Bend	trans	54.5	32.4	166	-51.7	-48.3	0	0	0	116.4
249	L	94.9	Very high	96.6	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.042	20%	0.199	C	C	.	.			trans	-63.8	138.7	175.8	-67.1	176.8	0	0	0	112.3	F226 F235 P246 P247 G251 L257 L275	F226-L249 HydrophobicContact CB-CD2 4.14Å; F226-L249 HydrophobicContact CD2-CD2 3.9Å; F226-L249 HydrophobicContact CG-CD2 4.19Å; F235-L249 HydrophobicContact CD1-CD2 3.89Å; F235-L249 HydrophobicContact CE1-CD2 3.69Å; P246-L249 HydrophobicContact CB-CD2 4.26Å; P247-L249 VanDerWaalsContact C-N 3.26Å; P247-L249 PolarHBondContact O-N 2.84Å; P247-L249 VanDerWaalsContact O-N 3.1Å; L249-G251 PolarHBondContact O-N 2.78Å; L249-L257 HydrophobicContact CD1-CD1 4.15Å; L249-L257 HydrophobicContact CD1-CD2 3.85Å; L249-L275 HydrophobicContact CB-CD2 4.09Å
250	P	94.3	Very high	96.6	Very high	10 Å²	10	34.4 Å²	34.4	7%	0.065	18%	0.18	C	C	.	.			trans	-75.1	96.8	-172	30.4	-37.2	0	0	0	112.7	L229 L232 T252 L254	L229-P250 HydrophobicContact CB-CG 4.24Å; L232-P250 HydrophobicContact CB-CG 4.16Å; L232-P250 HydrophobicContact CD2-CG 4Å; P250-T252 PolarHBondContact O-N 2.72Å; P250-T252 VanDerWaalsContact O-N 3.14Å; P250-L254 WeakPolarHBondContact O-CB 3.18Å
251	G	91.6	Very high	96.6	Very high	14 Å²	14	37.4 Å²	37.4	14%	0.144	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2.3	178.9	0	0	0	0	0	116.4	L249 H253 N274	L249-G251 PolarHBondContact O-N 2.78Å; G251-H253 PolarHBondContact O-N 2.65Å; G251-N274 WeakPolarHBondContact CA-O 3.45Å
252	T	93.9	Very high	96.6	Very high	71 Å²	71	36 Å²	36	44%	0.436	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.3	-175.3	45	0	0	0	0	113.8	S230 P250 K277	S230-T252 PolarHBondContact O-OG1 3.15Å; P250-T252 PolarHBondContact O-N 2.72Å; P250-T252 VanDerWaalsContact O-N 3.14Å; T252-K277 VanDerWaalsContact O-CD 3.3Å; T252-K277 WeakPolarHBondContact O-CD 3.26Å; T252-K277 VanDerWaalsContact O-CE 3.23Å; T252-K277 WeakPolarHBondContact O-CE 3.4Å; T252-K277 PolarHBondContact O-NZ 2.86Å
253	H	97.3	Very high	96.6	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.356	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-4.9	-178.6	-75.2	103.4	0	0	0	114.9	S230 L232 G251 L255 K277	S230-H253 PolarHBondContact O-ND1 2.77Å; L232-H253 CarbonylContact O-C 3.01Å; L232-H253 WeakPolarHBondContact O-CB 3.46Å; G251-H253 PolarHBondContact O-N 2.65Å; H253-L255 WeakPolarHBondContact O-CG 3.49Å; H253-L255 PolarHBondContact O-N 2.85Å; H253-K277 PolarHBondContact CD2-NZ 2.92Å; H253-K277 PolarHBondContact NE2-NZ 3Å
254	L	98.3	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.			trans	-66	118.9	-171.8	-165.5	70.6	0	0	0	111.6	L232 F235 P250 L257 L275 K277 L278	L232-L254 HydrophobicContact CD2-CD1 4.21Å; L232-L254 HydrophobicContact CG-CD1 4.05Å; L232-L254 WeakPolarHBondContact O-CA 3.27Å; L232-L254 PolarHBondContact O-N 3.06Å; F235-L254 HydrophobicContact CB-CD1 3.97Å; P250-L254 WeakPolarHBondContact O-CB 3.18Å; L254-L257 HydrophobicContact CD2-CB 4.33Å; L254-L257 HydrophobicContact CD2-CD2 4.49Å; L254-L275 HydrophobicContact CD2-CD1 4.36Å; L254-L275 HydrophobicContact CD2-CD2 4.07Å; L254-K277 CarbonylContact O-C 3.31Å; L254-K277 VanDerWaalsContact O-C 3.31Å; L254-L278 HydrophobicContact CD2-CD1 4.09Å; L254-L278 HydrophobicContact CG-CD1 3.96Å; L254-L278 WeakPolarHBondContact O-CA 3.21Å; L254-L278 PolarHBondContact O-N 2.98Å
255	L	98.6	Very high	96.6	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	20%	0.199	C	C	.	.			trans	-105.1	-31.6	-179.8	-54.7	-177	0	0	0	112	K233 H253 K277 E279 R280	K233-L255 WeakPolarHBondContact O-CA 3.47Å; K233-L255 PolarHBondContact O-N 3.35Å; H253-L255 WeakPolarHBondContact O-CG 3.49Å; H253-L255 PolarHBondContact O-N 2.85Å; L255-K277 HydrophobicContact CD2-CB 4.21Å; L255-K277 WeakPolarHBondContact CD2-O 3.45Å; L255-E279 PolarHBondContact O-N 3.49Å; L255-R280 PolarHBondContact O-N 3.39Å
256	R	98.8	Very high	96.6	Very high	84 Å²	84	42.1 Å²	42.1	32%	0.317	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.8	-175.9	-46.7	-167.4	-160.2	94.3	12.5	111.1	K233 E234 F235 Y258 R280	K233-R256 PolarHBondContact O-N 2.84Å; E234-R256 WeakPolarHBondContact CA-O 3.44Å; E234-R256 HydrophobicContact CG-CB 4.19Å; E234-R256 WeakPolarHBondContact OE2-CD 3.32Å; E234-R256 IonicContact OE2-CZ 3.58Å; E234-R256 IonicContact OE2-NE 3.18Å; E234-R256 IonicContact OE2-NH1 3.71Å; E234-R256 PolarHBondContact OE2-NH1 3.03Å; F235-R256 PolarHBondContact N-O 2.93Å; R256-Y258 HydrophobicContact CB-CE2 3.88Å; R256-Y258 WeakPolarHBondContact CD-OH 3.36Å; R256-R280 WeakPolarHBondContact CA-O 3.46Å; R256-R280 HydrophobicContact CB-CB 4.44Å; R256-R280 HydrophobicContact CG-CB 4.24Å
257	L	98.7	Very high	96.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120	179.1	-179.3	56.9	0	0	0	109.3	F235 L249 L254 L259 F272 L275 L278 R280 L281 D282	F235-L257 HydrophobicContact CB-CD1 4.14Å; F235-L257 HydrophobicContact CD1-CD1 3.62Å; F235-L257 HydrophobicContact CG-CD1 4.3Å; L249-L257 HydrophobicContact CD1-CD1 4.15Å; L249-L257 HydrophobicContact CD1-CD2 3.85Å; L254-L257 HydrophobicContact CD2-CB 4.33Å; L254-L257 HydrophobicContact CD2-CD2 4.49Å; L257-L259 HydrophobicContact CD1-CD2 3.86Å; L257-L259 HydrophobicContact CD1-CG 4.34Å; L257-L259 HydrophobicContact CD2-CD1 4.21Å; L257-L259 HydrophobicContact CG-CD1 4.21Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4Å; L257-F272 HydrophobicContact CD2-CD1 4.3Å; L257-F272 HydrophobicContact CD2-CE1 3.89Å; L257-L275 HydrophobicContact CD2-CD1 3.93Å; L257-L278 HydrophobicContact CB-CD1 3.78Å; L257-L278 HydrophobicContact CB-CD2 4.31Å; L257-R280 PolarHBondContact N-O 2.79Å; L257-L281 HydrophobicContact CB-CD1 4.06Å; L257-L281 HydrophobicContact CD2-CD1 4Å; L257-L281 HydrophobicContact CG-CD1 4.02Å; L257-D282 PolarHBondContact O-N 2.84Å; L257-D282 VanDerWaalsContact O-N 3.13Å
258	Y	98.8	Very high	96.9	Very high	40 Å²	40	41.5 Å²	41.5	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.1	-175.4	-60.6	-67.7	0	0	0	110.1	E234 F235 S236 I237 R256 Q260 R280 D282	E234-Y258 HydrophobicContact CG-CD2 4.38Å; E234-Y258 HydrophobicContact CG-CE2 3.94Å; F235-Y258 PolarHBondContact O-N 2.7Å; S236-Y258 WeakPolarHBondContact OG-CB 3.1Å; I237-Y258 WeakPolarHBondContact CG1-O 3.23Å; I237-Y258 PolarHBondContact N-O 2.91Å; I237-Y258 VanDerWaalsContact N-O 3.12Å; R256-Y258 HydrophobicContact CB-CE2 3.88Å; R256-Y258 WeakPolarHBondContact CD-OH 3.36Å; Y258-Q260 VanDerWaalsContact C-OE1 3.23Å; Y258-R280 HydrophobicContact CE1-CG 4.31Å; Y258-R280 PolarHBondContact OH-NH1 2.98Å; Y258-D282 HydrophobicContact CD1-CB 4.15Å
259	L	98.6	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.			trans	-123.1	15.1	-173	-54.1	177.3	0	0	0	112	I237 P245 L257 I264 F272 L281 D282 I283 N286	I237-L259 HydrophobicContact CD1-CD2 3.25Å; I237-L259 HydrophobicContact CG1-CD2 3.54Å; P245-L259 HydrophobicContact CB-CD1 4.07Å; P245-L259 HydrophobicContact CG-CD1 4.12Å; L257-L259 HydrophobicContact CD1-CD2 3.86Å; L257-L259 HydrophobicContact CD1-CG 4.34Å; L257-L259 HydrophobicContact CD2-CD1 4.21Å; L257-L259 HydrophobicContact CG-CD1 4.21Å; L257-L259 HydrophobicContact CG-CD2 4.05Å; L257-L259 HydrophobicContact CG-CG 4Å; L259-I264 HydrophobicContact CB-CD1 4.1Å; L259-F272 HydrophobicContact CD1-CE1 4.03Å; L259-F272 HydrophobicContact CD1-CZ 3.9Å; L259-L281 HydrophobicContact CD1-CD1 4.07Å; L259-D282 WeakPolarHBondContact CB-O 3.32Å; L259-D282 PolarHBondContact N-O 2.87Å; L259-I283 HydrophobicContact CB-CG2 4Å; L259-I283 HydrophobicContact CD1-CG2 3.63Å; L259-I283 HydrophobicContact CG-CG2 4.29Å; L259-N286 PolarHBondContact O-ND2 3.4Å
260	Q	98.4	Very high	97.1	Very high	31 Å²	31	46.2 Å²	46.2	15%	0.145	24%	0.243	C	C	.	.			trans	-66.6	160.4	-173.2	-51.2	92.2	-86	0	0	113.3	V238 R239 Y258 N262 D282 S284	V238-Q260 VanDerWaalsContact CA-O 3.26Å; V238-Q260 WeakPolarHBondContact CA-O 3.33Å; V238-Q260 HydrophobicContact CG1-CB 4.06Å; V238-Q260 HydrophobicContact CG2-CB 4.26Å; R239-Q260 PolarHBondContact N-O 2.99Å; R239-Q260 VanDerWaalsContact N-O 3.12Å; Y258-Q260 VanDerWaalsContact C-OE1 3.23Å; Q260-N262 VanDerWaalsContact C-N 3.31Å; Q260-N262 PolarHBondContact O-N 3.25Å; Q260-N262 PolarHBondContact O-ND2 3.15Å; Q260-D282 HydrophobicContact CG-CB 4.01Å; Q260-D282 WeakPolarHBondContact CG-OD1 3.24Å; Q260-D282 PolarHBondContact OE1-O 2.04Å; Q260-S284 VanDerWaalsContact CA-O 3.25Å; Q260-S284 WeakPolarHBondContact CA-O 3.15Å; Q260-S284 WeakPolarHBondContact CG-OG 3.23Å
261	D	98.5	Very high	97.2	Very high	71 Å²	71	46.1 Å²	46.1	38%	0.38	24%	0.243	S	C	.	.	S	Bend	trans	55.2	49.9	170.1	-63.4	-84.7	0	0	0	111.3	V238 R239 N240 S284 N285	V238-D261 HydrophobicContact CG1-CB 4.42Å; R239-D261 WeakPolarHBondContact CA-O 3.28Å; R239-D261 HydrophobicContact CG-CB 3.78Å; R239-D261 PolarHBondContact N-O 2.84Å; N240-D261 PolarHBondContact N-O 2.85Å; D261-S284 PolarHBondContact N-O 2.85Å; D261-N285 WeakPolarHBondContact CA-O 3.12Å; D261-N285 HydrophobicContact CB-CB 4.29Å; D261-N285 VanDerWaalsContact CG-CB 3.49Å; D261-N285 PolarHBondContact N-O 2.83Å; D261-N285 VanDerWaalsContact N-O 3.12Å; D261-N285 WeakPolarHBondContact OD1-CB 3.15Å; D261-N285 PolarHBondContact OD1-ND2 3.06Å; D261-N285 PolarHBondContact OD2-ND2 3.14Å
262	N	98.8	Very high	97.4	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.043	24%	0.237	C	C	.	.	S	Bend	trans	-127	-178	179	-90.4	-95.8	0	0	0	109.7	I237 N240 L242 Q260 I264 N285 N286	I237-N262 PolarHBondContact O-ND2 2.97Å; N240-N262 WeakPolarHBondContact CB-OD1 3.17Å; N240-N262 WeakPolarHBondContact O-CA 3.37Å; N240-N262 PolarHBondContact O-OD1 3.01Å; L242-N262 VanDerWaalsContact CB-OD1 3.24Å; L242-N262 WeakPolarHBondContact CB-OD1 3.25Å; L242-N262 VanDerWaalsContact CG-OD1 3.32Å; L242-N262 WeakPolarHBondContact CG-OD1 3.26Å; L242-N262 PolarHBondContact N-OD1 2.89Å; Q260-N262 VanDerWaalsContact C-N 3.31Å; Q260-N262 PolarHBondContact O-N 3.25Å; Q260-N262 PolarHBondContact O-ND2 3.15Å; N262-I264 HydrophobicContact CB-CD1 4.28Å; N262-I264 HydrophobicContact CB-CG1 4.1Å; N262-N285 PolarHBondContact N-O 2.85Å; N262-N286 WeakPolarHBondContact CA-OD1 3.38Å; N262-N286 WeakPolarHBondContact CB-OD1 3.45Å; N262-N286 PolarHBondContact O-OD1 3.42Å; N262-N286 VanDerWaalsContact O-OD1 3.1Å
263	Q	98.3	Very high	97.3	Very high	101 Å²	101	43.5 Å²	43.5	47%	0.472	23%	0.225	S	C	.	.			trans	-104.7	26.3	-177.5	-56.3	-178.7	25.8	0	0	111.5	S241 L242 T243 T265	S241-Q263 PolarHBondContact OG-NE2 3.08Å; L242-Q263 CarbonylContact O-C 3.51Å; L242-Q263 VanDerWaalsContact O-CA 3.25Å; L242-Q263 WeakPolarHBondContact O-CA 3.49Å; L242-Q263 PolarHBondContact O-N 2.95Å; T243-Q263 HydrophobicContact CG2-CB 4.49Å; Q263-T265 PolarHBondContact O-N 3.41Å; Q263-T265 VanDerWaalsContact O-N 3.14Å
264	I	98.7	Very high	97.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.231	C	C	.	.			trans	-65.2	117.9	-169.6	-63.8	169.8	0	0	0	109.9	L242 T243 P245 L259 N262 H266 I267 N286 Q287 L288	L242-I264 PolarHBondContact O-N 3.27Å; L242-I264 VanDerWaalsContact O-N 3.09Å; T243-I264 WeakPolarHBondContact O-CA 3.48Å; P245-I264 HydrophobicContact CG-CD1 4.3Å; L259-I264 HydrophobicContact CB-CD1 4.1Å; N262-I264 HydrophobicContact CB-CD1 4.28Å; N262-I264 HydrophobicContact CB-CG1 4.1Å; I264-H266 WeakPolarHBondContact CG2-O 3.1Å; I264-I267 HydrophobicContact CG2-CG1 4.3Å; I264-N286 HydrophobicContact CB-CB 4.3Å; I264-N286 WeakPolarHBondContact CB-OD1 3.26Å; I264-N286 VanDerWaalsContact CG1-OD1 3.27Å; I264-N286 WeakPolarHBondContact CG1-OD1 3.42Å; I264-N286 PolarHBondContact N-OD1 2.66Å; I264-Q287 CarbonylContact O-C 3.03Å; I264-Q287 VanDerWaalsContact O-CA 3.23Å; I264-Q287 WeakPolarHBondContact O-CA 3.19Å; I264-Q287 PolarHBondContact O-N 3.4Å; I264-L288 HydrophobicContact CG2-CD2 3.81Å; I264-L288 HydrophobicContact CG2-CG 4.26Å; I264-L288 PolarHBondContact O-N 3.23Å; I264-L288 VanDerWaalsContact O-N 3.11Å
265	T	98	Very high	97	Very high	74 Å²	74	44.3 Å²	44.3	45%	0.454	23%	0.232	S	C	.	.			trans	-95.1	-31.3	-177.2	54.7	0	0	0	0	112.6	T243 Q263 Q287	T243-T265 PolarHBondContact O-N 2.85Å; T243-T265 PolarHBondContact O-OG1 2.93Å; T243-T265 VanDerWaalsContact O-OG1 3.08Å; Q263-T265 PolarHBondContact O-N 3.41Å; Q263-T265 VanDerWaalsContact O-N 3.14Å; T265-Q287 HydrophobicContact CG2-CB 4.33Å
266	H	97.3	Very high	96.9	Very high	92 Å²	92	45.8 Å²	45.8	43%	0.426	24%	0.237	S	C	.	.			trans	-152.6	162.2	-176.8	67.4	-72.7	0	0	0	110.7	I264	I264-H266 WeakPolarHBondContact CG2-O 3.1Å
267	I	97.9	Very high	96.8	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.24	C	C	.	.			trans	-124.7	116.1	174.8	-56.6	-174.8	0	0	0	108.2	P245 I264 A271 F272 I283 L288 L291 V295	P245-I267 HydrophobicContact CG-CD1 4.43Å; P245-I267 HydrophobicContact CG-CG1 4.06Å; P245-I267 HydrophobicContact CG-CG2 4.14Å; I264-I267 HydrophobicContact CG2-CG1 4.3Å; I267-A271 HydrophobicContact CG2-CB 4.04Å; I267-F272 HydrophobicContact CD1-CE2 3.83Å; I267-F272 HydrophobicContact CD1-CZ 4.1Å; I267-F272 HydrophobicContact CG2-CD2 4.1Å; I267-F272 HydrophobicContact CG2-CE2 3.7Å; I267-F272 HydrophobicContact CG2-CZ 4.09Å; I267-I283 HydrophobicContact CD1-CD1 3.96Å; I267-I283 HydrophobicContact CD1-CG2 4.49Å; I267-L288 HydrophobicContact CD1-CD1 4.14Å; I267-L288 HydrophobicContact CD1-CD2 4.29Å; I267-L288 HydrophobicContact CG1-CD2 3.87Å; I267-L291 HydrophobicContact CD1-CD2 3.91Å; I267-L291 HydrophobicContact CG1-CD2 4.28Å; I267-V295 HydrophobicContact CB-CG2 4.11Å; I267-V295 HydrophobicContact CG2-CG2 3.48Å; I267-V295 VanDerWaalsContact CG2-CG2 3.48Å
268	P	95.9	Very high	96.8	Very high	40 Å²	40	45.9 Å²	45.9	26%	0.26	24%	0.24	S	C	.	.			trans	-59.9	144.5	171.8	-24.1	34.2	0	0	0	112	T270 A271	P268-T270 PolarHBondContact O-N 3.09Å; P268-T270 VanDerWaalsContact O-N 3.15Å; P268-A271 HydrophobicContact CB-CB 4.36Å; P268-A271 WeakPolarHBondContact O-CB 3.49Å; P268-A271 PolarHBondContact O-N 3.31Å
269	L	94.9	Very high	96.8	Very high	98 Å²	98	46.5 Å²	46.5	51%	0.513	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.2	-179.2	-176.3	67.1	0	0	0	113	V292	L269-V292 HydrophobicContact CD1-CG1 4.42Å
270	T	94.2	Very high	96.8	Very high	108 Å²	108	50.7 Å²	50.7	66%	0.663	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-20.1	177.6	47	0	0	0	0	114.2	P268 F272 S273	P268-T270 PolarHBondContact O-N 3.09Å; P268-T270 VanDerWaalsContact O-N 3.15Å; T270-F272 PolarHBondContact O-N 3.27Å; T270-S273 PolarHBondContact O-N 3.24Å; T270-S273 VanDerWaalsContact O-N 3.08Å; T270-S273 PolarHBondContact O-OG 3.34Å; T270-S273 VanDerWaalsContact O-OG 3.1Å
271	A	95.3	Very high	96.8	Very high	8 Å²	8	49.2 Å²	49.2	7%	0.066	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.7	-169.4	0	0	0	0	0	113.8	P245 I267 P268	P245-A271 HydrophobicContact CB-CB 4.39Å; I267-A271 HydrophobicContact CG2-CB 4.04Å; P268-A271 HydrophobicContact CB-CB 4.36Å; P268-A271 WeakPolarHBondContact O-CB 3.49Å; P268-A271 PolarHBondContact O-N 3.31Å
272	F	96.3	Very high	96.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	8.1	178.2	-56.5	-33.7	0	0	0	113.6	P245 L257 L259 I267 T270 N274 L275 L281 V295 F296 L299	P245-F272 HydrophobicContact CB-CE1 4.18Å; P245-F272 HydrophobicContact CB-CZ 4.44Å; P245-F272 HydrophobicContact CG-CE1 4.29Å; P245-F272 HydrophobicContact CG-CZ 4.07Å; L257-F272 HydrophobicContact CD2-CD1 4.3Å; L257-F272 HydrophobicContact CD2-CE1 3.89Å; L259-F272 HydrophobicContact CD1-CE1 4.03Å; L259-F272 HydrophobicContact CD1-CZ 3.9Å; I267-F272 HydrophobicContact CD1-CE2 3.83Å; I267-F272 HydrophobicContact CD1-CZ 4.1Å; I267-F272 HydrophobicContact CG2-CD2 4.1Å; I267-F272 HydrophobicContact CG2-CE2 3.7Å; I267-F272 HydrophobicContact CG2-CZ 4.09Å; T270-F272 PolarHBondContact O-N 3.27Å; F272-N274 VanDerWaalsContact C-N 3.26Å; F272-N274 PolarHBondContact O-N 3.15Å; F272-L275 HydrophobicContact CB-CD1 4.32Å; F272-L275 HydrophobicContact CD1-CD1 3.8Å; F272-L275 HydrophobicContact CG-CD1 4.46Å; F272-L275 PolarHBondContact O-N 2.99Å; F272-L281 HydrophobicContact CD2-CD2 4.09Å; F272-L281 HydrophobicContact CE1-CD1 4.35Å; F272-L281 HydrophobicContact CE2-CD2 3.66Å; F272-L281 HydrophobicContact CZ-CD1 4.1Å; F272-L281 HydrophobicContact CZ-CD2 3.94Å; F272-V295 HydrophobicContact CD2-CG2 4.17Å; F272-F296 HydrophobicContact CD2-CD1 4.29Å; F272-F296 HydrophobicContact CD2-CE1 4.24Å; F272-F296 HydrophobicContact CE2-CE1 4.17Å; F272-L299 HydrophobicContact CB-CD2 4.2Å
273	S	92.3	Very high	96.8	Very high	27 Å²	27	46.2 Å²	46.2	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.1	-168.2	63.3	0	0	0	0	114.4	T270 H276 N298	T270-S273 PolarHBondContact O-N 3.24Å; T270-S273 VanDerWaalsContact O-N 3.08Å; T270-S273 PolarHBondContact O-OG 3.34Å; T270-S273 VanDerWaalsContact O-OG 3.1Å; S273-H276 PolarHBondContact O-CE1 3.19Å; S273-N298 WeakPolarHBondContact O-CB 3.39Å; S273-N298 PolarHBondContact O-ND2 2.73Å
274	N	92.6	Very high	96.8	Very high	92 Å²	92	42 Å²	42	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.3	-172.4	-55.3	-12.2	0	0	0	112.3	G251 F272 H276	G251-N274 WeakPolarHBondContact CA-O 3.45Å; F272-N274 VanDerWaalsContact C-N 3.26Å; F272-N274 PolarHBondContact O-N 3.15Å; N274-H276 PolarHBondContact O-CD2 3.14Å; N274-H276 VanDerWaalsContact O-CD2 3.27Å; N274-H276 PolarHBondContact O-N 2.99Å
275	L	96.8	Very high	96.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.232	C	C	.	.			trans	-83.5	45.7	-167	-56.4	-173.8	0	0	0	113.3	L249 L254 L257 F272 K277 L278 L299	L249-L275 HydrophobicContact CB-CD2 4.09Å; L254-L275 HydrophobicContact CD2-CD1 4.36Å; L254-L275 HydrophobicContact CD2-CD2 4.07Å; L257-L275 HydrophobicContact CD2-CD1 3.93Å; F272-L275 HydrophobicContact CB-CD1 4.32Å; F272-L275 HydrophobicContact CD1-CD1 3.8Å; F272-L275 HydrophobicContact CG-CD1 4.46Å; F272-L275 PolarHBondContact O-N 2.99Å; L275-K277 PolarHBondContact O-N 3.21Å; L275-K277 VanDerWaalsContact O-N 3.08Å; L275-L278 HydrophobicContact CB-CB 4.19Å; L275-L278 HydrophobicContact CD1-CD2 4.28Å; L275-L278 VanDerWaalsContact O-CB 3.24Å; L275-L278 WeakPolarHBondContact O-CB 3.43Å; L275-L278 PolarHBondContact O-N 2.75Å; L275-L299 HydrophobicContact CB-CD2 3.76Å
276	H	96.2	Very high	96.8	Very high	77 Å²	77	41 Å²	41	36%	0.356	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.8	-169.1	-52.8	-62	0	0	0	115.1	S273 N274 N298 H300 N301	S273-H276 PolarHBondContact O-CE1 3.19Å; N274-H276 PolarHBondContact O-CD2 3.14Å; N274-H276 VanDerWaalsContact O-CD2 3.27Å; N274-H276 PolarHBondContact O-N 2.99Å; H276-N298 WeakPolarHBondContact CA-O 3.49Å; H276-N298 PolarHBondContact ND1-O 3.02Å; H276-H300 AromaticContact ND1-CD2 3.8Å; H276-H300 AromaticContact ND1-NE2 3.75Å; H276-N301 PolarHBondContact O-ND2 3.12Å
277	K	97.6	Very high	96.9	Very high	86 Å²	86	41.6 Å²	41.6	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.2	177.5	-70.2	-172.5	-175.3	170	0	114.6	T252 H253 L254 L255 L275 E279	T252-K277 VanDerWaalsContact O-CD 3.3Å; T252-K277 WeakPolarHBondContact O-CD 3.26Å; T252-K277 VanDerWaalsContact O-CE 3.23Å; T252-K277 WeakPolarHBondContact O-CE 3.4Å; T252-K277 PolarHBondContact O-NZ 2.86Å; H253-K277 PolarHBondContact CD2-NZ 2.92Å; H253-K277 PolarHBondContact NE2-NZ 3Å; L254-K277 CarbonylContact O-C 3.31Å; L254-K277 VanDerWaalsContact O-C 3.31Å; L255-K277 HydrophobicContact CD2-CB 4.21Å; L255-K277 WeakPolarHBondContact CD2-O 3.45Å; L275-K277 PolarHBondContact O-N 3.21Å; L275-K277 VanDerWaalsContact O-N 3.08Å; K277-E279 PolarHBondContact O-N 2.69Å
278	L	98.3	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	-66.3	118.6	-172.6	-164.8	75.4	0	0	0	111.6	L254 L257 L275 L281 L299 N301 L302	L254-L278 HydrophobicContact CD2-CD1 4.09Å; L254-L278 HydrophobicContact CG-CD1 3.96Å; L254-L278 WeakPolarHBondContact O-CA 3.21Å; L254-L278 PolarHBondContact O-N 2.98Å; L257-L278 HydrophobicContact CB-CD1 3.78Å; L257-L278 HydrophobicContact CB-CD2 4.31Å; L275-L278 HydrophobicContact CB-CB 4.19Å; L275-L278 HydrophobicContact CD1-CD2 4.28Å; L275-L278 VanDerWaalsContact O-CB 3.24Å; L275-L278 WeakPolarHBondContact O-CB 3.43Å; L275-L278 PolarHBondContact O-N 2.75Å; L278-L281 HydrophobicContact CD2-CB 3.96Å; L278-L281 HydrophobicContact CD2-CD1 4.37Å; L278-L299 HydrophobicContact CB-CD2 4.19Å; L278-L299 HydrophobicContact CD2-CD2 4.02Å; L278-N301 CarbonylContact O-C 3.3Å; L278-N301 VanDerWaalsContact O-C 3.3Å; L278-L302 VanDerWaalsContact O-CA 3.25Å; L278-L302 WeakPolarHBondContact O-CA 3.33Å; L278-L302 PolarHBondContact O-N 3.33Å
279	E	98.3	Very high	96.9	Very high	53 Å²	53	47.4 Å²	47.4	25%	0.248	23%	0.23	C	C	.	.			trans	-95.4	-30.1	179	-59.7	-163.1	129	0	0	112.7	L255 K277 R303 Q304	L255-E279 PolarHBondContact O-N 3.49Å; K277-E279 PolarHBondContact O-N 2.69Å; E279-R303 HydrophobicContact CB-CG 4.26Å; E279-R303 VanDerWaalsContact CD-NE 3.34Å; E279-R303 WeakPolarHBondContact O-CA 3.45Å; E279-R303 PolarHBondContact O-N 3.12Å; E279-R303 IonicContact OE1-CZ 2.78Å; E279-R303 IonicContact OE1-NE 2.75Å; E279-R303 PolarHBondContact OE1-NE 3.12Å; E279-R303 IonicContact OE1-NH2 2.65Å; E279-R303 PolarHBondContact OE1-NH2 2.83Å; E279-R303 IonicContact OE2-NE 3.95Å; E279-Q304 PolarHBondContact O-N 3.05Å
280	R	98.7	Very high	96.9	Very high	89 Å²	89	47.1 Å²	47.1	34%	0.336	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126	179.9	179.2	179.4	-74.7	164.6	-7.3	111.3	L255 R256 L257 Y258 Q304	L255-R280 PolarHBondContact O-N 3.39Å; R256-R280 WeakPolarHBondContact CA-O 3.46Å; R256-R280 HydrophobicContact CB-CB 4.44Å; R256-R280 HydrophobicContact CG-CB 4.24Å; L257-R280 PolarHBondContact N-O 2.79Å; Y258-R280 HydrophobicContact CE1-CG 4.31Å; Y258-R280 PolarHBondContact OH-NH1 2.98Å; R280-Q304 WeakPolarHBondContact CA-O 3.21Å; R280-Q304 HydrophobicContact CG-CB 4.33Å; R280-Q304 VanDerWaalsContact CZ-OE1 3.29Å
281	L	98.6	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.4	169.1	179.6	57.9	0	0	0	109.5	L257 L259 F272 L278 I283 F296 L299 L302 Q304 L305 T306	L257-L281 HydrophobicContact CB-CD1 4.06Å; L257-L281 HydrophobicContact CD2-CD1 4Å; L257-L281 HydrophobicContact CG-CD1 4.02Å; L259-L281 HydrophobicContact CD1-CD1 4.07Å; F272-L281 HydrophobicContact CD2-CD2 4.09Å; F272-L281 HydrophobicContact CE1-CD1 4.35Å; F272-L281 HydrophobicContact CE2-CD2 3.66Å; F272-L281 HydrophobicContact CZ-CD1 4.1Å; F272-L281 HydrophobicContact CZ-CD2 3.94Å; L278-L281 HydrophobicContact CD2-CB 3.96Å; L278-L281 HydrophobicContact CD2-CD1 4.37Å; L281-I283 HydrophobicContact CD1-CG2 4.12Å; L281-I283 HydrophobicContact CG-CG2 4.33Å; L281-F296 HydrophobicContact CD2-CE1 4.1Å; L281-L299 HydrophobicContact CD2-CD1 4.1Å; L281-L302 HydrophobicContact CB-CD1 4.04Å; L281-Q304 PolarHBondContact N-O 2.75Å; L281-L305 HydrophobicContact CB-CD1 3.92Å; L281-L305 HydrophobicContact CD2-CD1 3.85Å; L281-L305 HydrophobicContact CG-CD1 3.86Å; L281-L305 WeakPolarHBondContact O-CA 3.47Å; L281-T306 PolarHBondContact O-N 3.04Å; L281-T306 VanDerWaalsContact O-N 3.07Å
282	D	98.7	Very high	97	Very high	16 Å²	16	45 Å²	45	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.4	173.8	-154.6	-44.8	0	0	0	110	L257 Y258 L259 Q260 S284 T306	L257-D282 PolarHBondContact O-N 2.84Å; L257-D282 VanDerWaalsContact O-N 3.13Å; Y258-D282 HydrophobicContact CD1-CB 4.15Å; L259-D282 WeakPolarHBondContact CB-O 3.32Å; L259-D282 PolarHBondContact N-O 2.87Å; Q260-D282 HydrophobicContact CG-CB 4.01Å; Q260-D282 WeakPolarHBondContact CG-OD1 3.24Å; Q260-D282 PolarHBondContact OE1-O 2.04Å; D282-S284 WeakPolarHBondContact OD1-CB 3.33Å; D282-S284 PolarHBondContact OD1-N 2.84Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å; D282-S284 PolarHBondContact OD1-OG 2.88Å; D282-T306 WeakPolarHBondContact OD1-CB 3.18Å; D282-T306 WeakPolarHBondContact OD2-CB 3.06Å; D282-T306 PolarHBondContact OD2-OG1 3.03Å
283	I	98.3	Very high	97	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.			trans	-124.4	28.7	179.9	53.9	175.6	0	0	0	110	L259 I267 L281 L288 F296 T306 V307 N310	L259-I283 HydrophobicContact CB-CG2 4Å; L259-I283 HydrophobicContact CD1-CG2 3.63Å; L259-I283 HydrophobicContact CG-CG2 4.29Å; I267-I283 HydrophobicContact CD1-CD1 3.96Å; I267-I283 HydrophobicContact CD1-CG2 4.49Å; L281-I283 HydrophobicContact CD1-CG2 4.12Å; L281-I283 HydrophobicContact CG-CG2 4.33Å; I283-L288 HydrophobicContact CB-CD1 4.35Å; I283-L288 HydrophobicContact CD1-CD1 3.88Å; I283-L288 HydrophobicContact CG1-CD1 4.4Å; I283-F296 HydrophobicContact CD1-CZ 4.44Å; I283-T306 WeakPolarHBondContact CG1-O 3.33Å; I283-T306 PolarHBondContact N-O 3.06Å; I283-V307 HydrophobicContact CD1-CB 4.46Å; I283-V307 HydrophobicContact CD1-CG1 3.83Å; I283-V307 HydrophobicContact CG1-CB 4.15Å; I283-V307 HydrophobicContact CG1-CG1 3.71Å; I283-N310 PolarHBondContact O-ND2 3.32Å
284	S	98.4	Very high	97	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	24%	0.24	C	C	.	.			trans	-72.6	165.1	177.2	57.5	0	0	0	0	112.7	Q260 D261 D282 N286 R308	Q260-S284 VanDerWaalsContact CA-O 3.25Å; Q260-S284 WeakPolarHBondContact CA-O 3.15Å; Q260-S284 WeakPolarHBondContact CG-OG 3.23Å; D261-S284 PolarHBondContact N-O 2.85Å; D282-S284 WeakPolarHBondContact OD1-CB 3.33Å; D282-S284 PolarHBondContact OD1-N 2.84Å; D282-S284 VanDerWaalsContact OD1-N 3.16Å; D282-S284 PolarHBondContact OD1-OG 2.88Å; S284-N286 PolarHBondContact O-ND2 2.84Å; S284-R308 CarbonylContact C-O 3.38Å; S284-R308 WeakPolarHBondContact CA-O 3.45Å; S284-R308 VanDerWaalsContact CB-O 3.23Å; S284-R308 WeakPolarHBondContact CB-O 3.33Å
285	N	98.3	Very high	97.2	Very high	52 Å²	52	47.1 Å²	47.1	28%	0.278	22%	0.218	S	C	.	.	S	Bend	trans	52.9	59.4	-179.5	-58.1	-27.8	0	0	0	112.4	D261 N262 R308 N309	D261-N285 WeakPolarHBondContact CA-O 3.12Å; D261-N285 HydrophobicContact CB-CB 4.29Å; D261-N285 VanDerWaalsContact CG-CB 3.49Å; D261-N285 PolarHBondContact N-O 2.83Å; D261-N285 VanDerWaalsContact N-O 3.12Å; D261-N285 WeakPolarHBondContact OD1-CB 3.15Å; D261-N285 PolarHBondContact OD1-ND2 3.06Å; D261-N285 PolarHBondContact OD2-ND2 3.14Å; N262-N285 PolarHBondContact N-O 2.85Å; N285-R308 PolarHBondContact N-O 2.77Å; N285-N309 WeakPolarHBondContact CA-O 3.37Å; N285-N309 PolarHBondContact N-O 3.2Å; N285-N309 WeakPolarHBondContact OD1-CB 3.26Å; N285-N309 PolarHBondContact OD1-ND2 3.1Å
286	N	98.8	Very high	97.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.011	22%	0.219	C	C	.	.	S	Bend	trans	-142.6	179.2	-175.8	-91.4	-80.5	0	0	0	110.8	L259 N262 I264 S284 N309 N310 P311	L259-N286 PolarHBondContact O-ND2 3.4Å; N262-N286 WeakPolarHBondContact CA-OD1 3.38Å; N262-N286 WeakPolarHBondContact CB-OD1 3.45Å; N262-N286 PolarHBondContact O-OD1 3.42Å; N262-N286 VanDerWaalsContact O-OD1 3.1Å; I264-N286 HydrophobicContact CB-CB 4.3Å; I264-N286 WeakPolarHBondContact CB-OD1 3.26Å; I264-N286 VanDerWaalsContact CG1-OD1 3.27Å; I264-N286 WeakPolarHBondContact CG1-OD1 3.42Å; I264-N286 PolarHBondContact N-OD1 2.66Å; S284-N286 PolarHBondContact O-ND2 2.84Å; N286-N309 PolarHBondContact N-O 3.21Å; N286-N310 WeakPolarHBondContact CA-OD1 3.44Å; N286-N310 WeakPolarHBondContact CB-OD1 3Å; N286-N310 PolarHBondContact O-OD1 3.31Å; N286-N310 VanDerWaalsContact O-OD1 3.07Å; N286-P311 VanDerWaalsContact O-CD 3.25Å; N286-P311 WeakPolarHBondContact O-CD 3.42Å
287	Q	98.2	Very high	97.1	Very high	105 Å²	105	48.5 Å²	48.5	49%	0.491	23%	0.227	S	C	.	.			trans	-102.7	23.3	-174.3	-60.2	-58.8	-32	0	0	113.6	I264 T265 R289	I264-Q287 CarbonylContact O-C 3.03Å; I264-Q287 VanDerWaalsContact O-CA 3.23Å; I264-Q287 WeakPolarHBondContact O-CA 3.19Å; I264-Q287 PolarHBondContact O-N 3.4Å; T265-Q287 HydrophobicContact CG2-CB 4.33Å; Q287-R289 PolarHBondContact O-N 2.72Å
288	L	97.9	Very high	96.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.225	C	C	.	.			trans	-69.7	120.3	-177.5	-64.9	164.6	0	0	0	111.5	I264 I267 I283 L291 N310 P311 W312	I264-L288 HydrophobicContact CG2-CD2 3.81Å; I264-L288 HydrophobicContact CG2-CG 4.26Å; I264-L288 PolarHBondContact O-N 3.23Å; I264-L288 VanDerWaalsContact O-N 3.11Å; I267-L288 HydrophobicContact CD1-CD1 4.14Å; I267-L288 HydrophobicContact CD1-CD2 4.29Å; I267-L288 HydrophobicContact CG1-CD2 3.87Å; I283-L288 HydrophobicContact CB-CD1 4.35Å; I283-L288 HydrophobicContact CD1-CD1 3.88Å; I283-L288 HydrophobicContact CG1-CD1 4.4Å; L288-L291 HydrophobicContact CD2-CD2 4.44Å; L288-N310 HydrophobicContact CB-CB 4.25Å; L288-N310 VanDerWaalsContact CB-OD1 3.24Å; L288-N310 WeakPolarHBondContact CB-OD1 3.36Å; L288-N310 WeakPolarHBondContact CG-OD1 3.36Å; L288-N310 PolarHBondContact N-OD1 3.05Å; L288-N310 VanDerWaalsContact N-OD1 3.09Å; L288-P311 CarbonylContact O-C 3.08Å; L288-P311 VanDerWaalsContact O-CD 3.31Å; L288-P311 WeakPolarHBondContact O-CD 3.49Å; L288-W312 HydrophobicContact CB-CH2 3.47Å; L288-W312 VanDerWaalsContact CB-CH2 3.47Å; L288-W312 HydrophobicContact CB-CZ2 4.08Å; L288-W312 HydrophobicContact CB-CZ3 3.77Å; L288-W312 HydrophobicContact CD1-CH2 3.89Å; L288-W312 HydrophobicContact CD1-CZ2 4.33Å; L288-W312 HydrophobicContact CG-CH2 4.27Å
289	R	96.4	Very high	96.8	Very high	166 Å²	166	47.7 Å²	47.7	63%	0.626	23%	0.227	S	C	*	.			trans	-92.8	-35.3	173.1	-62.6	-176.7	-177.2	-171.3	-0.2	112.8	Q287 P311 L313	Q287-R289 PolarHBondContact O-N 2.72Å; R289-P311 WeakPolarHBondContact CA-O 3.47Å; R289-P311 HydrophobicContact CG-CG 4.15Å; R289-L313 HydrophobicContact CB-CB 4.39Å; R289-L313 PolarHBondContact O-N 3Å
290	M	95.1	Very high	96.6	Very high	93 Å²	93	51.4 Å²	51.4	46%	0.458	24%	0.244	S	C	.	.			trans	-150.3	167.1	-177.9	59.8	173	-79.6	0	0	110.9	S317	M290-S317 WeakPolarHBondContact CB-OG 3.45Å
291	L	96.4	Very high	96.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.249	C	C	.	.			trans	-124.8	140.3	173.9	-68.4	174.3	0	0	0	110.8	I267 L288 V295 F296 W312 W320 F337	I267-L291 HydrophobicContact CD1-CD2 3.91Å; I267-L291 HydrophobicContact CG1-CD2 4.28Å; L288-L291 HydrophobicContact CD2-CD2 4.44Å; L291-V295 HydrophobicContact CB-CG1 4.27Å; L291-F296 HydrophobicContact CD1-CE2 3.67Å; L291-F296 HydrophobicContact CD1-CZ 3.64Å; L291-W312 HydrophobicContact CD1-CH2 3.94Å; L291-W312 HydrophobicContact CD1-CZ3 4.28Å; L291-W312 HydrophobicContact CD2-CH2 4.09Å; L291-W312 HydrophobicContact CD2-CZ3 4.38Å; L291-W312 HydrophobicContact CG-CH2 3.75Å; L291-W312 HydrophobicContact CG-CZ3 3.77Å; L291-W320 HydrophobicContact CB-CZ2 3.78Å; L291-W320 PolarHBondContact O-NE1 3.01Å; L291-F337 HydrophobicContact CD1-CE1 3.83Å; L291-F337 HydrophobicContact CD1-CZ 3.74Å
292	V	95.3	Very high	96.4	Very high	69 Å²	69	51.5 Å²	51.5	42%	0.418	25%	0.251	S	S	.	.			trans	-68.4	134.4	174.7	-177.4	0	0	0	0	109.5	L269 G294 V295 W320	L269-V292 HydrophobicContact CD1-CG1 4.42Å; V292-G294 PolarHBondContact O-N 3.19Å; V292-V295 WeakPolarHBondContact O-CB 3.43Å; V292-V295 VanDerWaalsContact O-CG1 3.29Å; V292-V295 WeakPolarHBondContact O-CG1 3.22Å; V292-V295 PolarHBondContact O-N 2.96Å; V292-W320 WeakPolarHBondContact O-CZ2 3.45Å
293	K	95	Very high	96.3	Very high	151 Å²	151	57.7 Å²	57.7	66%	0.657	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	129.4	176.7	-175.3	178.4	177.5	-179.8	0	110.3	W320	K293-W320 VanDerWaalsContact CA-CE2 3.49Å; K293-W320 HydrophobicContact CB-CB 4.48Å; K293-W320 HydrophobicContact CB-CD2 4.07Å; K293-W320 HydrophobicContact CB-CG 3.87Å; K293-W320 HydrophobicContact CD-CB 4.05Å; K293-W320 HydrophobicContact CD-CG 4.34Å; K293-W320 HydrophobicContact CG-CB 4.06Å; K293-W320 HydrophobicContact CG-CD2 3.99Å; K293-W320 HydrophobicContact CG-CE3 4.37Å; K293-W320 HydrophobicContact CG-CG 3.84Å
294	G	93.5	Very high	96.3	Very high	10 Å²	10	60 Å²	60	10%	0.103	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-3.5	177.8	0	0	0	0	0	115.4	V292 F296 D297	V292-G294 PolarHBondContact O-N 3.19Å; G294-F296 PolarHBondContact O-N 3.35Å; G294-D297 VanDerWaalsContact CA-CG 3.46Å; G294-D297 WeakPolarHBondContact CA-OD1 3.35Å; G294-D297 VanDerWaalsContact CA-OD2 3.3Å; G294-D297 WeakPolarHBondContact CA-OD2 3.39Å; G294-D297 PolarHBondContact O-N 3.16Å
295	V	96.6	Very high	96.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.024	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.3	-177.1	71.7	0	0	0	0	114.9	I267 F272 L291 V292 W320	I267-V295 HydrophobicContact CB-CG2 4.11Å; I267-V295 HydrophobicContact CG2-CG2 3.48Å; I267-V295 VanDerWaalsContact CG2-CG2 3.48Å; F272-V295 HydrophobicContact CD2-CG2 4.17Å; L291-V295 HydrophobicContact CB-CG1 4.27Å; V292-V295 WeakPolarHBondContact O-CB 3.43Å; V292-V295 VanDerWaalsContact O-CG1 3.29Å; V292-V295 WeakPolarHBondContact O-CG1 3.22Å; V292-V295 PolarHBondContact O-N 2.96Å; V295-W320 HydrophobicContact CG1-CH2 4.08Å; V295-W320 HydrophobicContact CG1-CZ2 4.19Å
296	F	95.7	Very high	96.3	Very high	9 Å²	9	57.2 Å²	57.2	4%	0.039	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-1.1	177.2	-56	-43.6	0	0	0	114.2	F272 L281 I283 L291 G294 N298 L299 L305 W320 W324 F337	F272-F296 HydrophobicContact CD2-CD1 4.29Å; F272-F296 HydrophobicContact CD2-CE1 4.24Å; F272-F296 HydrophobicContact CE2-CE1 4.17Å; L281-F296 HydrophobicContact CD2-CE1 4.1Å; I283-F296 HydrophobicContact CD1-CZ 4.44Å; L291-F296 HydrophobicContact CD1-CE2 3.67Å; L291-F296 HydrophobicContact CD1-CZ 3.64Å; G294-F296 PolarHBondContact O-N 3.35Å; F296-N298 PolarHBondContact O-N 2.59Å; F296-N298 VanDerWaalsContact O-N 3.14Å; F296-L299 HydrophobicContact CB-CD1 4.23Å; F296-L299 HydrophobicContact CD1-CD1 3.77Å; F296-L299 HydrophobicContact CG-CD1 4.41Å; F296-L299 WeakPolarHBondContact O-CB 3.23Å; F296-L299 PolarHBondContact O-N 3.4Å; F296-L305 HydrophobicContact CD2-CD2 4.28Å; F296-L305 HydrophobicContact CE1-CD2 4.45Å; F296-L305 HydrophobicContact CE2-CD2 3.79Å; F296-L305 HydrophobicContact CZ-CD1 4.44Å; F296-L305 HydrophobicContact CZ-CD2 3.89Å; F296-W320 HydrophobicContact CD2-CH2 4.08Å; F296-W320 HydrophobicContact CE2-CH2 4.4Å; F296-W324 HydrophobicContact CB-CZ2 4.31Å; F296-W324 AromaticContact CD2-CH2 3.92Å; F296-W324 HydrophobicContact CD2-CH2 3.92Å; F296-W324 HydrophobicContact CD2-CZ2 4.01Å; F296-W324 HydrophobicContact CD2-CZ3 4.35Å; F296-W324 HydrophobicContact CE2-CH2 4.38Å; F296-F337 HydrophobicContact CE2-CZ 4.45Å
297	D	94	Very high	96.2	Very high	98 Å²	98	57.1 Å²	57.1	52%	0.524	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.8	-166.9	-69	0.7	0	0	0	113	G294 H300	G294-D297 VanDerWaalsContact CA-CG 3.46Å; G294-D297 WeakPolarHBondContact CA-OD1 3.35Å; G294-D297 VanDerWaalsContact CA-OD2 3.3Å; G294-D297 WeakPolarHBondContact CA-OD2 3.39Å; G294-D297 PolarHBondContact O-N 3.16Å; D297-H300 PolarHBondContact O-CE1 2.83Å; D297-H300 PolarHBondContact O-ND1 3.3Å; D297-H300 VanDerWaalsContact O-ND1 3.17Å
298	N	94.6	Very high	96.2	Very high	61 Å²	61	58.2 Å²	58.2	33%	0.326	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.6	179.1	-69.1	-62	0	0	0	114.6	S273 H276 F296 H300	S273-N298 WeakPolarHBondContact O-CB 3.39Å; S273-N298 PolarHBondContact O-ND2 2.73Å; H276-N298 WeakPolarHBondContact CA-O 3.49Å; H276-N298 PolarHBondContact ND1-O 3.02Å; F296-N298 PolarHBondContact O-N 2.59Å; F296-N298 VanDerWaalsContact O-N 3.14Å; N298-H300 PolarHBondContact O-CD2 3.48Å; N298-H300 PolarHBondContact O-N 3.27Å
299	L	96	Very high	96.1	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	30%	0.295	C	S	.	.			trans	-83	55.1	-175.9	-59.8	-177.4	0	0	0	112	F272 L275 L278 L281 F296 N301 L302	F272-L299 HydrophobicContact CB-CD2 4.2Å; L275-L299 HydrophobicContact CB-CD2 3.76Å; L278-L299 HydrophobicContact CB-CD2 4.19Å; L278-L299 HydrophobicContact CD2-CD2 4.02Å; L281-L299 HydrophobicContact CD2-CD1 4.1Å; F296-L299 HydrophobicContact CB-CD1 4.23Å; F296-L299 HydrophobicContact CD1-CD1 3.77Å; F296-L299 HydrophobicContact CG-CD1 4.41Å; F296-L299 WeakPolarHBondContact O-CB 3.23Å; F296-L299 PolarHBondContact O-N 3.4Å; L299-N301 PolarHBondContact O-N 2.88Å; L299-N301 VanDerWaalsContact O-N 3.1Å; L299-L302 HydrophobicContact CB-CB 4.1Å; L299-L302 HydrophobicContact CB-CD2 4.29Å; L299-L302 HydrophobicContact CD1-CD2 4.07Å; L299-L302 VanDerWaalsContact O-CB 3.26Å; L299-L302 WeakPolarHBondContact O-CB 3.35Å; L299-L302 PolarHBondContact O-N 2.87Å; L299-L302 VanDerWaalsContact O-N 3.07Å
300	H	93.3	Very high	96.2	Very high	131 Å²	131	55.7 Å²	55.7	61%	0.606	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.6	-167.3	-50.3	-44.9	0	0	0	115.1	H276 D297 N298	H276-H300 AromaticContact ND1-CD2 3.8Å; H276-H300 AromaticContact ND1-NE2 3.75Å; D297-H300 PolarHBondContact O-CE1 2.83Å; D297-H300 PolarHBondContact O-ND1 3.3Å; D297-H300 VanDerWaalsContact O-ND1 3.17Å; N298-H300 PolarHBondContact O-CD2 3.48Å; N298-H300 PolarHBondContact O-N 3.27Å
301	N	96.4	Very high	96.3	Very high	82 Å²	82	53.2 Å²	53.2	44%	0.439	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	7.5	179.1	-73.2	-76.8	0	0	0	114.3	H276 L278 L299 R303	H276-N301 PolarHBondContact O-ND2 3.12Å; L278-N301 CarbonylContact O-C 3.3Å; L278-N301 VanDerWaalsContact O-C 3.3Å; L299-N301 PolarHBondContact O-N 2.88Å; L299-N301 VanDerWaalsContact O-N 3.1Å; N301-R303 PolarHBondContact O-N 3.09Å
302	L	97.3	Very high	96.3	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.047	26%	0.257	C	S	.	.			trans	-63.3	122.6	-173.4	-165.7	67.5	0	0	0	112	L278 L281 L299 L305 I332	L278-L302 VanDerWaalsContact O-CA 3.25Å; L278-L302 WeakPolarHBondContact O-CA 3.33Å; L278-L302 PolarHBondContact O-N 3.33Å; L281-L302 HydrophobicContact CB-CD1 4.04Å; L299-L302 HydrophobicContact CB-CB 4.1Å; L299-L302 HydrophobicContact CB-CD2 4.29Å; L299-L302 HydrophobicContact CD1-CD2 4.07Å; L299-L302 VanDerWaalsContact O-CB 3.26Å; L299-L302 WeakPolarHBondContact O-CB 3.35Å; L299-L302 PolarHBondContact O-N 2.87Å; L299-L302 VanDerWaalsContact O-N 3.07Å; L302-L305 HydrophobicContact CD2-CB 4.16Å; L302-I332 HydrophobicContact CG-CG2 4.47Å; L302-I332 WeakPolarHBondContact O-CD1 3.42Å; L302-I332 VanDerWaalsContact O-CG1 3.28Å; L302-I332 WeakPolarHBondContact O-CG1 3.25Å
303	R	97.1	Very high	96.3	Very high	146 Å²	146	53 Å²	53	55%	0.551	25%	0.254	S	S	*	.			trans	-106.6	-28.9	177.2	-54.2	-174.5	-170	-88.3	-2.7	112.7	E279 N301 N333	E279-R303 HydrophobicContact CB-CG 4.26Å; E279-R303 VanDerWaalsContact CD-NE 3.34Å; E279-R303 WeakPolarHBondContact O-CA 3.45Å; E279-R303 PolarHBondContact O-N 3.12Å; E279-R303 IonicContact OE1-CZ 2.78Å; E279-R303 IonicContact OE1-NE 2.75Å; E279-R303 PolarHBondContact OE1-NE 3.12Å; E279-R303 IonicContact OE1-NH2 2.65Å; E279-R303 PolarHBondContact OE1-NH2 2.83Å; E279-R303 IonicContact OE2-NE 3.95Å; N301-R303 PolarHBondContact O-N 3.09Å; R303-N333 PolarHBondContact O-N 3.11Å
304	Q	98.2	Very high	96.2	Very high	49 Å²	49	46 Å²	46	23%	0.229	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.6	-178.5	-178	-178.7	-19.9	0	0	111.1	E279 R280 L281 T306	E279-Q304 PolarHBondContact O-N 3.05Å; R280-Q304 WeakPolarHBondContact CA-O 3.21Å; R280-Q304 HydrophobicContact CG-CB 4.33Å; R280-Q304 VanDerWaalsContact CZ-OE1 3.29Å; L281-Q304 PolarHBondContact N-O 2.75Å; Q304-T306 PolarHBondContact NE2-OG1 2.79Å
305	L	98.1	Very high	96.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115	171.3	177.9	61.9	0	0	0	109.7	L281 F296 L302 V307 W324 N333 V334 R335 F337	L281-L305 HydrophobicContact CB-CD1 3.92Å; L281-L305 HydrophobicContact CD2-CD1 3.85Å; L281-L305 HydrophobicContact CG-CD1 3.86Å; L281-L305 WeakPolarHBondContact O-CA 3.47Å; F296-L305 HydrophobicContact CD2-CD2 4.28Å; F296-L305 HydrophobicContact CE1-CD2 4.45Å; F296-L305 HydrophobicContact CE2-CD2 3.79Å; F296-L305 HydrophobicContact CZ-CD1 4.44Å; F296-L305 HydrophobicContact CZ-CD2 3.89Å; L302-L305 HydrophobicContact CD2-CB 4.16Å; L305-V307 HydrophobicContact CD1-CG1 3.93Å; L305-V307 HydrophobicContact CD2-CG1 4.16Å; L305-V307 HydrophobicContact CG-CG1 3.74Å; L305-W324 HydrophobicContact CD2-CH2 3.72Å; L305-W324 HydrophobicContact CD2-CZ3 4.2Å; L305-N333 PolarHBondContact N-O 2.85Å; L305-N333 VanDerWaalsContact N-O 3.11Å; L305-V334 HydrophobicContact CB-CG1 4.26Å; L305-V334 HydrophobicContact CB-CG2 4.23Å; L305-V334 HydrophobicContact CD2-CG1 4.06Å; L305-V334 HydrophobicContact CG-CG1 4.29Å; L305-V334 CarbonylContact O-C 3.43Å; L305-V334 WeakPolarHBondContact O-CA 3.11Å; L305-R335 PolarHBondContact O-N 3.35Å; L305-F337 HydrophobicContact CD2-CE2 4.37Å
306	T	98.3	Very high	95.7	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.1	172.4	-33.5	0	0	0	0	110.2	L281 D282 I283 Q304 R308 R335	L281-T306 PolarHBondContact O-N 3.04Å; L281-T306 VanDerWaalsContact O-N 3.07Å; D282-T306 WeakPolarHBondContact OD1-CB 3.18Å; D282-T306 WeakPolarHBondContact OD2-CB 3.06Å; D282-T306 PolarHBondContact OD2-OG1 3.03Å; I283-T306 WeakPolarHBondContact CG1-O 3.33Å; I283-T306 PolarHBondContact N-O 3.06Å; Q304-T306 PolarHBondContact NE2-OG1 2.79Å; T306-R308 HydrophobicContact CG2-CB 4.45Å; T306-R308 HydrophobicContact CG2-CG 3.93Å; T306-R335 CarbonylContact C-O 3.59Å; T306-R335 WeakPolarHBondContact CA-O 3.49Å
307	V	97.7	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.			trans	-137.2	18.5	-177.4	-45.5	0	0	0	0	112.8	I283 L305 N310 W312 R335 G336 F337	I283-V307 HydrophobicContact CD1-CB 4.46Å; I283-V307 HydrophobicContact CD1-CG1 3.83Å; I283-V307 HydrophobicContact CG1-CB 4.15Å; I283-V307 HydrophobicContact CG1-CG1 3.71Å; L305-V307 HydrophobicContact CD1-CG1 3.93Å; L305-V307 HydrophobicContact CD2-CG1 4.16Å; L305-V307 HydrophobicContact CG-CG1 3.74Å; V307-N310 PolarHBondContact O-ND2 2.95Å; V307-N310 VanDerWaalsContact O-ND2 3.09Å; V307-W312 HydrophobicContact CB-CZ2 3.98Å; V307-W312 HydrophobicContact CG2-CZ2 4.17Å; V307-W312 PolarHBondContact O-NE1 2.81Å; V307-R335 PolarHBondContact N-O 3.1Å; V307-G336 VanDerWaalsContact CG2-C 3.46Å; V307-F337 HydrophobicContact CB-CZ 4.41Å; V307-F337 HydrophobicContact CG1-CE2 4.05Å; V307-F337 HydrophobicContact CG1-CZ 3.98Å; V307-F337 HydrophobicContact CG2-CB 4.27Å; V307-F337 HydrophobicContact CG2-CD1 3.69Å; V307-F337 HydrophobicContact CG2-CD2 3.6Å; V307-F337 HydrophobicContact CG2-CE1 3.85Å; V307-F337 HydrophobicContact CG2-CE2 3.76Å; V307-F337 HydrophobicContact CG2-CG 3.56Å; V307-F337 HydrophobicContact CG2-CZ 3.88Å
308	R	96.6	Very high	95.4	Very high	128 Å²	128	47 Å²	47	48%	0.483	23%	0.233	S	C	.	.			trans	-55.6	157.2	-176.9	-67.5	179.5	177	122.1	-8	111.7	S284 N285 T306 N310	S284-R308 CarbonylContact C-O 3.38Å; S284-R308 WeakPolarHBondContact CA-O 3.45Å; S284-R308 VanDerWaalsContact CB-O 3.23Å; S284-R308 WeakPolarHBondContact CB-O 3.33Å; N285-R308 PolarHBondContact N-O 2.77Å; T306-R308 HydrophobicContact CG2-CB 4.45Å; T306-R308 HydrophobicContact CG2-CG 3.93Å; R308-N310 VanDerWaalsContact C-N 3.35Å; R308-N310 PolarHBondContact O-N 3.1Å; R308-N310 PolarHBondContact O-ND2 3.5Å
309	N	97.1	Very high	95.2	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	24%	0.237	S	C	*	.	S	Bend	trans	53.5	51	170.4	-53.7	-7.9	0	0	0	112.5	N285 N286	N285-N309 WeakPolarHBondContact CA-O 3.37Å; N285-N309 PolarHBondContact N-O 3.2Å; N285-N309 WeakPolarHBondContact OD1-CB 3.26Å; N285-N309 PolarHBondContact OD1-ND2 3.1Å; N286-N309 PolarHBondContact N-O 3.21Å
310	N	97.9	Very high	95.1	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.032	24%	0.239	C	C	.	.			trans	-122.9	146.1	169.6	-83.5	-86.5	0	0	0	108.6	I283 N286 L288 V307 R308 W312	I283-N310 PolarHBondContact O-ND2 3.32Å; N286-N310 WeakPolarHBondContact CA-OD1 3.44Å; N286-N310 WeakPolarHBondContact CB-OD1 3Å; N286-N310 PolarHBondContact O-OD1 3.31Å; N286-N310 VanDerWaalsContact O-OD1 3.07Å; L288-N310 HydrophobicContact CB-CB 4.25Å; L288-N310 VanDerWaalsContact CB-OD1 3.24Å; L288-N310 WeakPolarHBondContact CB-OD1 3.36Å; L288-N310 WeakPolarHBondContact CG-OD1 3.36Å; L288-N310 PolarHBondContact N-OD1 3.05Å; L288-N310 VanDerWaalsContact N-OD1 3.09Å; V307-N310 PolarHBondContact O-ND2 2.95Å; V307-N310 VanDerWaalsContact O-ND2 3.09Å; R308-N310 VanDerWaalsContact C-N 3.35Å; R308-N310 PolarHBondContact O-N 3.1Å; R308-N310 PolarHBondContact O-ND2 3.5Å; N310-W312 HydrophobicContact CB-CD2 4.25Å; N310-W312 HydrophobicContact CB-CG 4.48Å; N310-W312 HydrophobicContact CB-CZ2 3.76Å; N310-W312 PolarHBondContact O-N 3.14Å
311	P	97.3	Very high	95.2	Very high	42 Å²	42	43.3 Å²	43.3	27%	0.273	21%	0.211	S	C	.	.			trans	-77.7	57.2	-178.1	33.8	-38	0	0	0	112.9	N286 L288 R289 L313	N286-P311 VanDerWaalsContact O-CD 3.25Å; N286-P311 WeakPolarHBondContact O-CD 3.42Å; L288-P311 CarbonylContact O-C 3.08Å; L288-P311 VanDerWaalsContact O-CD 3.31Å; L288-P311 WeakPolarHBondContact O-CD 3.49Å; R289-P311 WeakPolarHBondContact CA-O 3.47Å; R289-P311 HydrophobicContact CG-CG 4.15Å; P311-L313 PolarHBondContact O-N 3.33Å
312	W	96.5	Very high	95.1	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.19	C	C	.	.			trans	-56.5	117.9	-176.4	-65.1	115.3	0	0	0	112.6	L288 L291 V307 N310 I318 F337 Q340 G341	L288-W312 HydrophobicContact CB-CH2 3.47Å; L288-W312 VanDerWaalsContact CB-CH2 3.47Å; L288-W312 HydrophobicContact CB-CZ2 4.08Å; L288-W312 HydrophobicContact CB-CZ3 3.77Å; L288-W312 HydrophobicContact CD1-CH2 3.89Å; L288-W312 HydrophobicContact CD1-CZ2 4.33Å; L288-W312 HydrophobicContact CG-CH2 4.27Å; L291-W312 HydrophobicContact CD1-CH2 3.94Å; L291-W312 HydrophobicContact CD1-CZ3 4.28Å; L291-W312 HydrophobicContact CD2-CH2 4.09Å; L291-W312 HydrophobicContact CD2-CZ3 4.38Å; L291-W312 HydrophobicContact CG-CH2 3.75Å; L291-W312 HydrophobicContact CG-CZ3 3.77Å; V307-W312 HydrophobicContact CB-CZ2 3.98Å; V307-W312 HydrophobicContact CG2-CZ2 4.17Å; V307-W312 PolarHBondContact O-NE1 2.81Å; N310-W312 HydrophobicContact CB-CD2 4.25Å; N310-W312 HydrophobicContact CB-CG 4.48Å; N310-W312 HydrophobicContact CB-CZ2 3.76Å; N310-W312 PolarHBondContact O-N 3.14Å; W312-I318 HydrophobicContact CE3-CD1 4.33Å; W312-F337 HydrophobicContact CD2-CD1 4.14Å; W312-F337 HydrophobicContact CD2-CE1 4.37Å; W312-F337 AromaticContact CE2-CD1 3.83Å; W312-F337 AromaticContact CE2-CE1 3.96Å; W312-F337 HydrophobicContact CH2-CE1 4.01Å; W312-F337 HydrophobicContact CZ2-CD1 4.15Å; W312-F337 AromaticContact CZ2-CE1 3.81Å; W312-F337 HydrophobicContact CZ2-CE1 3.81Å; W312-F337 HydrophobicContact CZ3-CE1 4.37Å; W312-Q340 PolarHBondContact O-N 3.07Å; W312-G341 PolarHBondContact O-N 3.03Å
313	L	95.1	Very high	94.8	Very high	67 Å²	67	42.8 Å²	42.8	35%	0.351	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-90.5	107.9	172.3	-177.8	62.1	0	0	0	108.7	R289 P311 D315	R289-L313 HydrophobicContact CB-CB 4.39Å; R289-L313 PolarHBondContact O-N 3Å; P311-L313 PolarHBondContact O-N 3.33Å; L313-D315 WeakPolarHBondContact CD2-OD2 3.31Å; L313-D315 HydrophobicContact CG-CB 4.36Å; L313-D315 PolarHBondContact O-N 3.02Å
314	C	93.3	Very high	94.7	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.02	19%	0.189	C	C	.	.			trans	-86.1	66.8	-179.1	-70.5	0	0	0	0	111.1	I318 C339 G341 V345 L353 L358	C314-I318 HydrophobicContact CB-CG2 4.17Å; C314-C339 HydrophobicContact CB-CB 3.77Å; C314-C339 WeakPolarHBondContact CB-SG 3.44Å; C314-C339 WeakPolarHBondContact SG-CA 3.24Å; C314-C339 WeakPolarHBondContact SG-CB 3.38Å; C314-C339 CovalentContact SG-SG 2.02Å; C314-C339 PolarHBondContact SG-SG 2.91Å; C314-G341 PolarHBondContact N-O 2.99Å; C314-V345 HydrophobicContact CB-CG2 3.8Å; C314-L353 HydrophobicContact CB-CD1 4.08Å; C314-L358 VanDerWaalsContact O-CD2 3.3Å; C314-L358 WeakPolarHBondContact O-CD2 3.48Å
315	D	90.6	Very high	94.5	Very high	62 Å²	62	36.6 Å²	36.6	33%	0.332	18%	0.181	S	C	.	.	S	Bend	trans	-103.6	-164.7	167.5	72.1	15.9	0	0	0	111	L313 S317 I318 L358	L313-D315 WeakPolarHBondContact CD2-OD2 3.31Å; L313-D315 HydrophobicContact CG-CB 4.36Å; L313-D315 PolarHBondContact O-N 3.02Å; D315-S317 PolarHBondContact O-N 3.04Å; D315-S317 VanDerWaalsContact O-N 3.09Å; D315-S317 WeakPolarHBondContact OD1-CB 3.42Å; D315-S317 PolarHBondContact OD1-N 3.34Å; D315-S317 PolarHBondContact OD1-OG 2.86Å; D315-I318 WeakPolarHBondContact O-CG2 3.2Å; D315-I318 PolarHBondContact O-N 3.27Å; D315-L358 VanDerWaalsContact O-CD2 3.27Å; D315-L358 WeakPolarHBondContact O-CD2 3.11Å
316	C	89.9	Confident	94.2	Very high	55 Å²	55	41.4 Å²	41.4	37%	0.372	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.5	-178.1	-47.4	0	0	0	0	114.3	I318 K319 C360	C316-I318 VanDerWaalsContact C-N 3.29Å; C316-I318 PolarHBondContact O-N 3.2Å; C316-K319 WeakPolarHBondContact O-CB 3.5Å; C316-K319 PolarHBondContact O-N 3.12Å; C316-C360 WeakPolarHBondContact CA-SG 3.26Å; C316-C360 HydrophobicContact CB-CB 4.15Å; C316-C360 WeakPolarHBondContact CB-SG 3.49Å; C316-C360 WeakPolarHBondContact SG-CA 3.25Å; C316-C360 WeakPolarHBondContact SG-CB 3.46Å; C316-C360 CovalentContact SG-SG 2.04Å; C316-C360 PolarHBondContact SG-SG 3.07Å
317	S	90.6	Very high	93.9	Very high	25 Å²	25	49.7 Å²	49.7	18%	0.175	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-65.3	-31.2	173.7	69.8	0	0	0	0	112.4	M290 D315 K319 W320	M290-S317 WeakPolarHBondContact CB-OG 3.45Å; D315-S317 PolarHBondContact O-N 3.04Å; D315-S317 VanDerWaalsContact O-N 3.09Å; D315-S317 WeakPolarHBondContact OD1-CB 3.42Å; D315-S317 PolarHBondContact OD1-N 3.34Å; D315-S317 PolarHBondContact OD1-OG 2.86Å; S317-K319 VanDerWaalsContact C-N 3.3Å; S317-K319 PolarHBondContact O-N 3.06Å; S317-W320 PolarHBondContact O-NE1 3.18Å
318	I	92.3	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-79.4	-11.8	-179.1	-141.2	67.2	0	0	0	113.1	W312 C314 D315 C316 W320 V321 T322 V350 L353 L358	W312-I318 HydrophobicContact CE3-CD1 4.33Å; C314-I318 HydrophobicContact CB-CG2 4.17Å; D315-I318 WeakPolarHBondContact O-CG2 3.2Å; D315-I318 PolarHBondContact O-N 3.27Å; C316-I318 VanDerWaalsContact C-N 3.29Å; C316-I318 PolarHBondContact O-N 3.2Å; I318-W320 VanDerWaalsContact C-N 3.29Å; I318-W320 PolarHBondContact O-N 3.46Å; I318-V321 HydrophobicContact CD1-CB 4.22Å; I318-V321 HydrophobicContact CD1-CG2 4.01Å; I318-V321 HydrophobicContact CG1-CB 4.18Å; I318-V321 HydrophobicContact CG1-CG2 4.44Å; I318-V321 WeakPolarHBondContact O-CA 3.42Å; I318-V321 WeakPolarHBondContact O-CB 3.4Å; I318-V321 PolarHBondContact O-N 3.49Å; I318-T322 PolarHBondContact O-N 2.84Å; I318-V350 HydrophobicContact CG1-CG1 3.64Å; I318-V350 HydrophobicContact CG1-CG2 4.13Å; I318-V350 HydrophobicContact CG2-CG1 4.41Å; I318-L353 HydrophobicContact CG2-CD1 3.98Å; I318-L358 HydrophobicContact CG2-CD2 4.13Å
319	K	90.7	Very high	93.5	Very high	96 Å²	96	48.3 Å²	48.3	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-50.7	-47.2	-175.7	170.3	168.4	177.8	179.2	0	112.8	C316 S317 V321 T322 E323 M355	C316-K319 WeakPolarHBondContact O-CB 3.5Å; C316-K319 PolarHBondContact O-N 3.12Å; S317-K319 VanDerWaalsContact C-N 3.3Å; S317-K319 PolarHBondContact O-N 3.06Å; K319-V321 VanDerWaalsContact C-N 3.28Å; K319-V321 PolarHBondContact O-N 2.73Å; K319-T322 PolarHBondContact O-N 2.84Å; K319-E323 WeakPolarHBondContact CE-OE1 3.49Å; K319-E323 IonicContact NZ-OE1 3.82Å; K319-E323 WeakPolarHBondContact O-CG 3.44Å; K319-E323 PolarHBondContact O-N 2.9Å; K319-M355 HydrophobicContact CB-CE 4.21Å; K319-M355 HydrophobicContact CB-SD 3.94Å; K319-M355 HydrophobicContact CD-SD 3.93Å; K319-M355 HydrophobicContact CG-CE 3.98Å; K319-M355 HydrophobicContact CG-SD 3.66Å
320	W	93.6	Very high	93.2	Very high	27 Å²	27	48.8 Å²	48.8	10%	0.102	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-31.2	-179	79.7	-94.7	0	0	0	112	L291 V292 K293 V295 F296 S317 I318 E323 W324	L291-W320 HydrophobicContact CB-CZ2 3.78Å; L291-W320 PolarHBondContact O-NE1 3.01Å; V292-W320 WeakPolarHBondContact O-CZ2 3.45Å; K293-W320 VanDerWaalsContact CA-CE2 3.49Å; K293-W320 HydrophobicContact CB-CB 4.48Å; K293-W320 HydrophobicContact CB-CD2 4.07Å; K293-W320 HydrophobicContact CB-CG 3.87Å; K293-W320 HydrophobicContact CD-CB 4.05Å; K293-W320 HydrophobicContact CD-CG 4.34Å; K293-W320 HydrophobicContact CG-CB 4.06Å; K293-W320 HydrophobicContact CG-CD2 3.99Å; K293-W320 HydrophobicContact CG-CE3 4.37Å; K293-W320 HydrophobicContact CG-CG 3.84Å; V295-W320 HydrophobicContact CG1-CH2 4.08Å; V295-W320 HydrophobicContact CG1-CZ2 4.19Å; F296-W320 HydrophobicContact CD2-CH2 4.08Å; F296-W320 HydrophobicContact CE2-CH2 4.4Å; S317-W320 PolarHBondContact O-NE1 3.18Å; I318-W320 VanDerWaalsContact C-N 3.29Å; I318-W320 PolarHBondContact O-N 3.46Å; W320-E323 PolarHBondContact O-N 2.99Å; W320-W324 HydrophobicContact CE3-CB 4.22Å; W320-W324 HydrophobicContact CZ3-CB 4.32Å; W320-W324 HydrophobicContact CZ3-CG 4.27Å; W320-W324 WeakPolarHBondContact O-CB 3.48Å; W320-W324 PolarHBondContact O-N 2.84Å
321	V	95.2	Very high	92.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70	-41.5	175.5	-175.5	0	0	0	0	110.1	I318 K319 E323 W324 L325 F337 V350	I318-V321 HydrophobicContact CD1-CB 4.22Å; I318-V321 HydrophobicContact CD1-CG2 4.01Å; I318-V321 HydrophobicContact CG1-CB 4.18Å; I318-V321 HydrophobicContact CG1-CG2 4.44Å; I318-V321 WeakPolarHBondContact O-CA 3.42Å; I318-V321 WeakPolarHBondContact O-CB 3.4Å; I318-V321 PolarHBondContact O-N 3.49Å; K319-V321 VanDerWaalsContact C-N 3.28Å; K319-V321 PolarHBondContact O-N 2.73Å; V321-E323 VanDerWaalsContact C-N 3.34Å; V321-E323 PolarHBondContact O-N 2.86Å; V321-W324 PolarHBondContact O-N 3.4Å; V321-L325 HydrophobicContact CG1-CD1 3.92Å; V321-L325 HydrophobicContact CG1-CG 4.19Å; V321-L325 WeakPolarHBondContact O-CB 3.5Å; V321-L325 WeakPolarHBondContact O-CG 3.3Å; V321-L325 PolarHBondContact O-N 3.06Å; V321-F337 HydrophobicContact CG1-CD1 4.1Å; V321-F337 HydrophobicContact CG1-CD2 4.27Å; V321-F337 HydrophobicContact CG1-CE1 3.89Å; V321-F337 HydrophobicContact CG1-CE2 4.07Å; V321-F337 HydrophobicContact CG1-CG 4.3Å; V321-F337 HydrophobicContact CG1-CZ 3.87Å; V321-V350 HydrophobicContact CB-CG1 4.32Å; V321-V350 HydrophobicContact CG1-CG1 4.09Å
322	T	93.2	Very high	92.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-40.6	173.4	-61.9	0	0	0	0	112.1	I318 K319 K326 V350 L353 M355	I318-T322 PolarHBondContact O-N 2.84Å; K319-T322 PolarHBondContact O-N 2.84Å; T322-K326 HydrophobicContact CG2-CD 4.27Å; T322-K326 WeakPolarHBondContact O-CD 3.41Å; T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.14Å; T322-K326 PolarHBondContact O-N 3.2Å; T322-V350 WeakPolarHBondContact CB-O 3.4Å; T322-V350 VanDerWaalsContact CG2-O 3.3Å; T322-V350 WeakPolarHBondContact CG2-O 3.49Å; T322-V350 WeakPolarHBondContact OG1-CG1 3.29Å; T322-V350 PolarHBondContact OG1-O 3.36Å; T322-L353 HydrophobicContact CG2-CB 4.34Å; T322-M355 VanDerWaalsContact CB-CE 3.49Å; T322-M355 HydrophobicContact CG2-CE 3.49Å; T322-M355 VanDerWaalsContact CG2-CE 3.49Å
323	E	91.8	Very high	92.7	Very high	79 Å²	79	56 Å²	56	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-65.9	-49.5	174.6	-70.9	169	176.2	0	0	111	K319 W320 V321 L325 K326 F327	K319-E323 WeakPolarHBondContact CE-OE1 3.49Å; K319-E323 IonicContact NZ-OE1 3.82Å; K319-E323 WeakPolarHBondContact O-CG 3.44Å; K319-E323 PolarHBondContact O-N 2.9Å; W320-E323 PolarHBondContact O-N 2.99Å; V321-E323 VanDerWaalsContact C-N 3.34Å; V321-E323 PolarHBondContact O-N 2.86Å; E323-L325 PolarHBondContact O-N 2.92Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 2.86Å; E323-F327 VanDerWaalsContact O-CD2 3.26Å; E323-F327 WeakPolarHBondContact O-CD2 3.32Å; E323-F327 PolarHBondContact O-N 2.87Å
324	W	94.6	Very high	92.8	Very high	54 Å²	54	54 Å²	54	21%	0.205	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-48	177.3	-179.3	80.5	0	0	0	112.2	F296 L305 W320 V321 K326 F327 I328 V334 F337	F296-W324 HydrophobicContact CB-CZ2 4.31Å; F296-W324 AromaticContact CD2-CH2 3.92Å; F296-W324 HydrophobicContact CD2-CH2 3.92Å; F296-W324 HydrophobicContact CD2-CZ2 4.01Å; F296-W324 HydrophobicContact CD2-CZ3 4.35Å; F296-W324 HydrophobicContact CE2-CH2 4.38Å; L305-W324 HydrophobicContact CD2-CH2 3.72Å; L305-W324 HydrophobicContact CD2-CZ3 4.2Å; W320-W324 HydrophobicContact CE3-CB 4.22Å; W320-W324 HydrophobicContact CZ3-CB 4.32Å; W320-W324 HydrophobicContact CZ3-CG 4.27Å; W320-W324 WeakPolarHBondContact O-CB 3.48Å; W320-W324 PolarHBondContact O-N 2.84Å; V321-W324 PolarHBondContact O-N 3.4Å; W324-K326 PolarHBondContact O-N 3.43Å; W324-K326 VanDerWaalsContact O-N 3.16Å; W324-F327 PolarHBondContact O-N 2.84Å; W324-F327 VanDerWaalsContact O-N 3.13Å; W324-I328 HydrophobicContact CD2-CD1 4.36Å; W324-I328 HydrophobicContact CE3-CD1 4.41Å; W324-I328 HydrophobicContact CH2-CD1 3.56Å; W324-I328 HydrophobicContact CZ2-CD1 3.5Å; W324-I328 VanDerWaalsContact CZ2-CD1 3.5Å; W324-I328 HydrophobicContact CZ2-CG1 4.43Å; W324-I328 HydrophobicContact CZ3-CD1 4.04Å; W324-I328 WeakPolarHBondContact O-CB 3.31Å; W324-I328 PolarHBondContact O-N 3.35Å; W324-V334 HydrophobicContact CH2-CG2 4.01Å; W324-V334 HydrophobicContact CZ3-CG1 4.32Å; W324-V334 HydrophobicContact CZ3-CG2 4.17Å; W324-F337 HydrophobicContact CZ3-CE2 4.28Å
325	L	94.6	Very high	92.8	Very high	11 Å²	11	60.7 Å²	60.7	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-20.4	176.4	-71	172.9	0	0	0	113.7	V321 E323 V334 F337 V350 R351	V321-L325 HydrophobicContact CG1-CD1 3.92Å; V321-L325 HydrophobicContact CG1-CG 4.19Å; V321-L325 WeakPolarHBondContact O-CB 3.5Å; V321-L325 WeakPolarHBondContact O-CG 3.3Å; V321-L325 PolarHBondContact O-N 3.06Å; E323-L325 PolarHBondContact O-N 2.92Å; L325-V334 HydrophobicContact CD2-CB 4.08Å; L325-V334 HydrophobicContact CD2-CG1 3.83Å; L325-V334 HydrophobicContact CD2-CG2 4.41Å; L325-F337 HydrophobicContact CD1-CB 4.18Å; L325-F337 HydrophobicContact CD1-CD2 3.95Å; L325-F337 HydrophobicContact CD1-CG 4.25Å; L325-F337 HydrophobicContact CD2-CD2 4.17Å; L325-V350 HydrophobicContact CD1-CB 4.15Å; L325-V350 HydrophobicContact CD1-CG1 4.05Å; L325-R351 HydrophobicContact CB-CB 4.18Å; L325-R351 HydrophobicContact CB-CG 3.99Å; L325-R351 HydrophobicContact CD1-CB 4.23Å; L325-R351 PolarHBondContact O-NE 3.13Å; L325-R351 PolarHBondContact O-NH2 3.01Å; L325-R351 VanDerWaalsContact O-NH2 3.07Å
326	K	91.7	Very high	92.9	Very high	102 Å²	102	58.5 Å²	58.5	44%	0.443	31%	0.312	S	S	.	.	H	α-helix	trans	-83.2	-32.1	175.4	-73.1	169.2	-173.2	177.7	0	112.1	T322 E323 W324 R351 L353	T322-K326 HydrophobicContact CG2-CD 4.27Å; T322-K326 WeakPolarHBondContact O-CD 3.41Å; T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.14Å; T322-K326 PolarHBondContact O-N 3.2Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 2.86Å; W324-K326 PolarHBondContact O-N 3.43Å; W324-K326 VanDerWaalsContact O-N 3.16Å; K326-R351 WeakPolarHBondContact CE-O 3.38Å; K326-L353 PolarHBondContact NZ-O 2.83Å
327	F	92.6	Very high	93.2	Very high	179 Å²	179	56.5 Å²	56.5	79%	0.785	30%	0.297	S	S	*	.	H	α-helix	trans	-104.3	-4.4	-178	-62.9	-67.7	0	0	0	115.6	E323 W324	E323-F327 VanDerWaalsContact O-CD2 3.26Å; E323-F327 WeakPolarHBondContact O-CD2 3.32Å; E323-F327 PolarHBondContact O-N 2.87Å; W324-F327 PolarHBondContact O-N 2.84Å; W324-F327 VanDerWaalsContact O-N 3.13Å
328	I	92.9	Very high	93.4	Very high	25 Å²	25	59.4 Å²	59.4	13%	0.128	31%	0.309	C	S	.	.	S	Bend	trans	-61.6	138.9	-179.5	-161.9	174.4	0	0	0	112.6	W324 I332 V334	W324-I328 HydrophobicContact CD2-CD1 4.36Å; W324-I328 HydrophobicContact CE3-CD1 4.41Å; W324-I328 HydrophobicContact CH2-CD1 3.56Å; W324-I328 HydrophobicContact CZ2-CD1 3.5Å; W324-I328 VanDerWaalsContact CZ2-CD1 3.5Å; W324-I328 HydrophobicContact CZ2-CG1 4.43Å; W324-I328 HydrophobicContact CZ3-CD1 4.04Å; W324-I328 WeakPolarHBondContact O-CB 3.31Å; W324-I328 PolarHBondContact O-N 3.35Å; I328-I332 HydrophobicContact CD1-CB 3.82Å; I328-I332 HydrophobicContact CD1-CD1 4.06Å; I328-I332 HydrophobicContact CD1-CG1 4.4Å; I328-I332 HydrophobicContact CD1-CG2 3.84Å; I328-I332 HydrophobicContact CG1-CB 4.08Å; I328-I332 HydrophobicContact CG1-CD1 3.88Å; I328-I332 HydrophobicContact CG1-CG1 4.25Å; I328-V334 HydrophobicContact CD1-CG2 3.52Å
329	P	92.5	Very high	93.6	Very high	74 Å²	74	59.4 Å²	59.4	48%	0.481	31%	0.309	S	S	.	.			trans	-58.9	142.9	177.3	-26.7	35.7	0	0	0	113.6	S331 I332	P329-S331 PolarHBondContact O-N 2.86Å; P329-I332 HydrophobicContact CB-CG1 4.45Å; P329-I332 PolarHBondContact O-N 3.28Å
330	A	90.3	Very high	93.8	Very high	115 Å²	115	58.8 Å²	58.8	95%	0.95	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.4	179.9	0	0	0	0	0	114.6	I332	A330-I332 VanDerWaalsContact C-N 3.27Å
331	S	91.9	Very high	93.7	Very high	91 Å²	91	58.1 Å²	58.1	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-15	170.7	49.1	0	0	0	0	113.9	P329	P329-S331 PolarHBondContact O-N 2.86Å
332	I	94.5	Very high	93.5	Very high	35 Å²	35	60.8 Å²	60.8	18%	0.179	33%	0.327	C	S	.	.			trans	-104.2	110.5	-175.8	-41.5	-168.5	0	0	0	110.4	L302 I328 P329 A330 V334	L302-I332 HydrophobicContact CG-CG2 4.47Å; L302-I332 WeakPolarHBondContact O-CD1 3.42Å; L302-I332 VanDerWaalsContact O-CG1 3.28Å; L302-I332 WeakPolarHBondContact O-CG1 3.25Å; I328-I332 HydrophobicContact CD1-CB 3.82Å; I328-I332 HydrophobicContact CD1-CD1 4.06Å; I328-I332 HydrophobicContact CD1-CG1 4.4Å; I328-I332 HydrophobicContact CD1-CG2 3.84Å; I328-I332 HydrophobicContact CG1-CB 4.08Å; I328-I332 HydrophobicContact CG1-CD1 3.88Å; I328-I332 HydrophobicContact CG1-CG1 4.25Å; P329-I332 HydrophobicContact CB-CG1 4.45Å; P329-I332 PolarHBondContact O-N 3.28Å; A330-I332 VanDerWaalsContact C-N 3.27Å; I332-V334 HydrophobicContact CG2-CG2 3.99Å; I332-V334 PolarHBondContact O-N 3.03Å
333	N	95.4	Very high	93.4	Very high	74 Å²	74	66.8 Å²	66.8	40%	0.396	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	92.8	178.6	-175.9	22.9	0	0	0	110.7	R303 L305 R335	R303-N333 PolarHBondContact O-N 3.11Å; L305-N333 PolarHBondContact N-O 2.85Å; L305-N333 VanDerWaalsContact N-O 3.11Å; N333-R335 PolarHBondContact OD1-NE 3.48Å; N333-R335 PolarHBondContact OD1-NH2 2.88Å
334	V	96.3	Very high	93.3	Very high	25 Å²	25	70.1 Å²	70.1	15%	0.152	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.3	176.4	-171.4	0	0	0	0	111	L305 W324 L325 I328 I332 F337	L305-V334 HydrophobicContact CB-CG1 4.26Å; L305-V334 HydrophobicContact CB-CG2 4.23Å; L305-V334 HydrophobicContact CD2-CG1 4.06Å; L305-V334 HydrophobicContact CG-CG1 4.29Å; L305-V334 CarbonylContact O-C 3.43Å; L305-V334 WeakPolarHBondContact O-CA 3.11Å; W324-V334 HydrophobicContact CH2-CG2 4.01Å; W324-V334 HydrophobicContact CZ3-CG1 4.32Å; W324-V334 HydrophobicContact CZ3-CG2 4.17Å; L325-V334 HydrophobicContact CD2-CB 4.08Å; L325-V334 HydrophobicContact CD2-CG1 3.83Å; L325-V334 HydrophobicContact CD2-CG2 4.41Å; I328-V334 HydrophobicContact CD1-CG2 3.52Å; I332-V334 HydrophobicContact CG2-CG2 3.99Å; I332-V334 PolarHBondContact O-N 3.03Å; V334-F337 HydrophobicContact CG1-CD2 3.78Å; V334-F337 HydrophobicContact CG1-CE2 3.76Å
335	R	94.4	Very high	93.1	Very high	145 Å²	145	67.8 Å²	67.8	55%	0.547	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.9	-178.4	-61.6	-65.3	172	162.5	-0.5	113	L305 T306 V307 N333	L305-R335 PolarHBondContact O-N 3.35Å; T306-R335 CarbonylContact C-O 3.59Å; T306-R335 WeakPolarHBondContact CA-O 3.49Å; V307-R335 PolarHBondContact N-O 3.1Å; N333-R335 PolarHBondContact OD1-NE 3.48Å; N333-R335 PolarHBondContact OD1-NH2 2.88Å
336	G	93	Very high	93	Very high	15 Å²	15	73.5 Å²	73.5	16%	0.155	38%	0.383	C	S	.	.			trans	116.5	-4.6	166.1	0	0	0	0	0	116.8	V307 M338	V307-G336 VanDerWaalsContact CG2-C 3.46Å; G336-M338 PolarHBondContact O-N 2.82Å
337	F	95.6	Very high	93.1	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.057	39%	0.388	C	S	.	.			trans	-70.8	88.7	172.9	-76.3	-66.4	0	0	0	111.1	L291 F296 L305 V307 W312 V321 W324 L325 V334 V350	L291-F337 HydrophobicContact CD1-CE1 3.83Å; L291-F337 HydrophobicContact CD1-CZ 3.74Å; F296-F337 HydrophobicContact CE2-CZ 4.45Å; L305-F337 HydrophobicContact CD2-CE2 4.37Å; V307-F337 HydrophobicContact CB-CZ 4.41Å; V307-F337 HydrophobicContact CG1-CE2 4.05Å; V307-F337 HydrophobicContact CG1-CZ 3.98Å; V307-F337 HydrophobicContact CG2-CB 4.27Å; V307-F337 HydrophobicContact CG2-CD1 3.69Å; V307-F337 HydrophobicContact CG2-CD2 3.6Å; V307-F337 HydrophobicContact CG2-CE1 3.85Å; V307-F337 HydrophobicContact CG2-CE2 3.76Å; V307-F337 HydrophobicContact CG2-CG 3.56Å; V307-F337 HydrophobicContact CG2-CZ 3.88Å; W312-F337 HydrophobicContact CD2-CD1 4.14Å; W312-F337 HydrophobicContact CD2-CE1 4.37Å; W312-F337 AromaticContact CE2-CD1 3.83Å; W312-F337 AromaticContact CE2-CE1 3.96Å; W312-F337 HydrophobicContact CH2-CE1 4.01Å; W312-F337 HydrophobicContact CZ2-CD1 4.15Å; W312-F337 AromaticContact CZ2-CE1 3.81Å; W312-F337 HydrophobicContact CZ2-CE1 3.81Å; W312-F337 HydrophobicContact CZ3-CE1 4.37Å; V321-F337 HydrophobicContact CG1-CD1 4.1Å; V321-F337 HydrophobicContact CG1-CD2 4.27Å; V321-F337 HydrophobicContact CG1-CE1 3.89Å; V321-F337 HydrophobicContact CG1-CE2 4.07Å; V321-F337 HydrophobicContact CG1-CG 4.3Å; V321-F337 HydrophobicContact CG1-CZ 3.87Å; W324-F337 HydrophobicContact CZ3-CE2 4.28Å; L325-F337 HydrophobicContact CD1-CB 4.18Å; L325-F337 HydrophobicContact CD1-CD2 3.95Å; L325-F337 HydrophobicContact CD1-CG 4.25Å; L325-F337 HydrophobicContact CD2-CD2 4.17Å; V334-F337 HydrophobicContact CG1-CD2 3.78Å; V334-F337 HydrophobicContact CG1-CE2 3.76Å; F337-V350 HydrophobicContact CB-CB 3.85Å; F337-V350 HydrophobicContact CB-CG2 3.8Å; F337-V350 PolarHBondContact O-N 3.03Å
338	M	95.6	Very high	93.1	Very high	86 Å²	86	66.6 Å²	66.6	42%	0.424	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-128.9	131	175.7	-57	-178.9	-58.4	0	0	108.9	G336 M348	G336-M338 PolarHBondContact O-N 2.82Å; M338-M348 CarbonylContact C-O 3.52Å; M338-M348 WeakPolarHBondContact CA-O 3.42Å
339	C	95.3	Very high	93.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.375	C	S	.	.			trans	-66.8	133.5	-176	-57.3	0	0	0	0	111.7	C314 V345 G347 M348	C314-C339 HydrophobicContact CB-CB 3.77Å; C314-C339 WeakPolarHBondContact CB-SG 3.44Å; C314-C339 WeakPolarHBondContact SG-CA 3.24Å; C314-C339 WeakPolarHBondContact SG-CB 3.38Å; C314-C339 CovalentContact SG-SG 2.02Å; C314-C339 PolarHBondContact SG-SG 2.91Å; C339-V345 HydrophobicContact CB-CG2 4.31Å; C339-V345 WeakPolarHBondContact CB-O 3.4Å; C339-G347 PolarHBondContact O-N 3.24Å; C339-M348 PolarHBondContact N-O 3.09Å; C339-M348 PolarHBondContact SG-O 2.92Å
340	Q	96	Very high	93.2	Very high	84 Å²	84	63.3 Å²	63.3	39%	0.393	35%	0.352	S	S	.	.			trans	-104	-16.2	168.7	-69.3	-61.8	-19	0	0	113	W312 R346	W312-Q340 PolarHBondContact O-N 3.07Å; Q340-R346 VanDerWaalsContact O-CD 3.32Å; Q340-R346 WeakPolarHBondContact O-CD 3.27Å; Q340-R346 WeakPolarHBondContact O-CG 3.23Å; Q340-R346 PolarHBondContact O-NE 3.48Å
341	G	90.9	Very high	93.2	Very high	12 Å²	12	64.3 Å²	64.3	12%	0.124	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-160.1	172.2	167.2	0	0	0	0	0	112.2	W312 C314	W312-G341 PolarHBondContact O-N 3.03Å; C314-G341 PolarHBondContact N-O 2.99Å
342	P	91.4	Very high	93	Very high	57 Å²	57	67.5 Å²	67.5	37%	0.37	34%	0.336	S	S	.	.	S	Bend	cis	-69.7	167.6	-9.8	34.3	-38.7	0	0	0	111.7	Q344 V345 R346	P342-Q344 PolarHBondContact O-N 2.69Å; P342-V345 HydrophobicContact CG-CG2 4.2Å; P342-V345 WeakPolarHBondContact O-CG2 3.41Å; P342-V345 PolarHBondContact O-N 3.16Å; P342-R346 PolarHBondContact O-N 3.27Å
343	E	89.5	Confident	92.6	Very high	126 Å²	126	65.9 Å²	65.9	59%	0.589	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-54.4	-30.6	-169.8	-68.7	-61.3	145.6	0	0	114.4	V345 R346	E343-V345 PolarHBondContact O-N 2.81Å; E343-V345 VanDerWaalsContact O-N 3.16Å; E343-R346 PolarHBondContact O-N 2.69Å; E343-R346 WeakPolarHBondContact OE1-CD 3.12Å; E343-R346 IonicContact OE1-CZ 2.7Å; E343-R346 IonicContact OE1-NE 2.72Å; E343-R346 IonicContact OE1-NH1 2.69Å; E343-R346 PolarHBondContact OE1-NH1 2.81Å; E343-R346 WeakPolarHBondContact OE2-CD 3.2Å; E343-R346 IonicContact OE2-NH1 2.84Å
344	Q	89.4	Confident	91.9	Very high	150 Å²	150	66.1 Å²	66.1	70%	0.701	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.2	179	-58.7	83.4	-4.3	0	0	113.9	P342 M348	P342-Q344 PolarHBondContact O-N 2.69Å; Q344-M348 WeakPolarHBondContact O-CE 3.44Å
345	V	91.1	Very high	90.9	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.03	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-122.3	8	179.7	-63.7	0	0	0	0	112.6	C314 C339 P342 E343 G347 M348 L353 M357	C314-V345 HydrophobicContact CB-CG2 3.8Å; C339-V345 HydrophobicContact CB-CG2 4.31Å; C339-V345 WeakPolarHBondContact CB-O 3.4Å; P342-V345 HydrophobicContact CG-CG2 4.2Å; P342-V345 WeakPolarHBondContact O-CG2 3.41Å; P342-V345 PolarHBondContact O-N 3.16Å; E343-V345 PolarHBondContact O-N 2.81Å; E343-V345 VanDerWaalsContact O-N 3.16Å; V345-G347 PolarHBondContact O-N 2.84Å; V345-M348 HydrophobicContact CB-SD 4.05Å; V345-M348 HydrophobicContact CG1-SD 4.11Å; V345-M348 VanDerWaalsContact O-CB 3.26Å; V345-M348 WeakPolarHBondContact O-CB 3.18Å; V345-M348 WeakPolarHBondContact O-CG 3.25Å; V345-M348 PolarHBondContact O-N 2.94Å; V345-M348 VanDerWaalsContact O-N 3.1Å; V345-L353 HydrophobicContact CB-CD2 4.21Å; V345-L353 HydrophobicContact CG1-CD2 4.18Å; V345-M357 HydrophobicContact CG1-CB 4.44Å
346	R	93.3	Very high	89.7	Confident	131 Å²	131	67.5 Å²	67.5	49%	0.494	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	136.3	-177.4	-174.2	170.4	-172.4	-175.4	-3.3	111.3	Q340 P342 E343 M348	Q340-R346 VanDerWaalsContact O-CD 3.32Å; Q340-R346 WeakPolarHBondContact O-CD 3.27Å; Q340-R346 WeakPolarHBondContact O-CG 3.23Å; Q340-R346 PolarHBondContact O-NE 3.48Å; P342-R346 PolarHBondContact O-N 3.27Å; E343-R346 PolarHBondContact O-N 2.69Å; E343-R346 WeakPolarHBondContact OE1-CD 3.12Å; E343-R346 IonicContact OE1-CZ 2.7Å; E343-R346 IonicContact OE1-NE 2.72Å; E343-R346 IonicContact OE1-NH1 2.69Å; E343-R346 PolarHBondContact OE1-NH1 2.81Å; E343-R346 WeakPolarHBondContact OE2-CD 3.2Å; E343-R346 IonicContact OE2-NH1 2.84Å; R346-M348 PolarHBondContact O-N 3.3Å
347	G	92.2	Very high	88.5	Confident	54 Å²	54	72 Å²	72	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-13.4	-173.8	0	0	0	0	0	115.3	C339 V345	C339-G347 PolarHBondContact O-N 3.24Å; V345-G347 PolarHBondContact O-N 2.84Å
348	M	92.7	Very high	87.5	Confident	81 Å²	81	72 Å²	72	40%	0.399	37%	0.365	S	S	.	.			trans	-72	146.2	180	-59.6	-173.9	-174.4	0	0	112.1	M338 C339 Q344 V345 R346 L353	M338-M348 CarbonylContact C-O 3.52Å; M338-M348 WeakPolarHBondContact CA-O 3.42Å; C339-M348 PolarHBondContact N-O 3.09Å; C339-M348 PolarHBondContact SG-O 2.92Å; Q344-M348 WeakPolarHBondContact O-CE 3.44Å; V345-M348 HydrophobicContact CB-SD 4.05Å; V345-M348 HydrophobicContact CG1-SD 4.11Å; V345-M348 VanDerWaalsContact O-CB 3.26Å; V345-M348 WeakPolarHBondContact O-CB 3.18Å; V345-M348 WeakPolarHBondContact O-CG 3.25Å; V345-M348 PolarHBondContact O-N 2.94Å; V345-M348 VanDerWaalsContact O-N 3.1Å; R346-M348 PolarHBondContact O-N 3.3Å; M348-L353 HydrophobicContact CB-CD2 4.2Å; M348-L353 HydrophobicContact SD-CD2 4.34Å
349	A	94.4	Very high	86.1	Confident	30 Å²	30	74.1 Å²	74.1	25%	0.248	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-77.4	130.4	173.6	0	0	0	0	0	110.9	R351 E352	A349-R351 PolarHBondContact O-N 2.93Å; A349-E352 PolarHBondContact O-N 3.07Å
350	V	93.7	Very high	84.9	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	-175.4	174.7	0	0	0	0	113	I318 V321 T322 L325 F337 E352 L353	I318-V350 HydrophobicContact CG1-CG1 3.64Å; I318-V350 HydrophobicContact CG1-CG2 4.13Å; I318-V350 HydrophobicContact CG2-CG1 4.41Å; V321-V350 HydrophobicContact CB-CG1 4.32Å; V321-V350 HydrophobicContact CG1-CG1 4.09Å; T322-V350 WeakPolarHBondContact CB-O 3.4Å; T322-V350 VanDerWaalsContact CG2-O 3.3Å; T322-V350 WeakPolarHBondContact CG2-O 3.49Å; T322-V350 WeakPolarHBondContact OG1-CG1 3.29Å; T322-V350 PolarHBondContact OG1-O 3.36Å; L325-V350 HydrophobicContact CD1-CB 4.15Å; L325-V350 HydrophobicContact CD1-CG1 4.05Å; F337-V350 HydrophobicContact CB-CB 3.85Å; F337-V350 HydrophobicContact CB-CG2 3.8Å; F337-V350 PolarHBondContact O-N 3.03Å; V350-E352 VanDerWaalsContact C-N 3.28Å; V350-E352 PolarHBondContact O-N 3.03Å; V350-L353 HydrophobicContact CB-CD1 4.46Å; V350-L353 HydrophobicContact CG1-CD1 4.36Å
351	R	90.9	Very high	83.6	Confident	136 Å²	136	77.3 Å²	77.3	51%	0.513	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.3	177.5	-167.3	177.3	-156.5	-160.6	4.7	113.1	L325 K326 A349	L325-R351 HydrophobicContact CB-CB 4.18Å; L325-R351 HydrophobicContact CB-CG 3.99Å; L325-R351 HydrophobicContact CD1-CB 4.23Å; L325-R351 PolarHBondContact O-NE 3.13Å; L325-R351 PolarHBondContact O-NH2 3.01Å; L325-R351 VanDerWaalsContact O-NH2 3.07Å; K326-R351 WeakPolarHBondContact CE-O 3.38Å; A349-R351 PolarHBondContact O-N 2.93Å
352	E	88.1	Confident	81.7	Confident	158 Å²	158	83 Å²	83	74%	0.738	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-9.7	-173.2	-71.3	161.9	-147.5	0	0	112.6	A349 V350 N354	A349-E352 PolarHBondContact O-N 3.07Å; V350-E352 VanDerWaalsContact C-N 3.28Å; V350-E352 PolarHBondContact O-N 3.03Å; E352-N354 PolarHBondContact O-N 3.15Å
353	L	86.1	Confident	79.6	Confident	1 Å²	1	85.8 Å²	85.8	1%	0.005	47%	0.465	C	S	.	.			trans	-56	134	177.3	-64.6	175.3	0	0	0	112.3	C314 I318 T322 K326 V345 M348 V350 L358	C314-L353 HydrophobicContact CB-CD1 4.08Å; I318-L353 HydrophobicContact CG2-CD1 3.98Å; T322-L353 HydrophobicContact CG2-CB 4.34Å; K326-L353 PolarHBondContact NZ-O 2.83Å; V345-L353 HydrophobicContact CB-CD2 4.21Å; V345-L353 HydrophobicContact CG1-CD2 4.18Å; M348-L353 HydrophobicContact CB-CD2 4.2Å; M348-L353 HydrophobicContact SD-CD2 4.34Å; V350-L353 HydrophobicContact CB-CD1 4.46Å; V350-L353 HydrophobicContact CG1-CD1 4.36Å; L353-L358 HydrophobicContact CB-CD1 4.4Å
354	N	81.1	Confident	77.1	Confident	79 Å²	79	85.3 Å²	85.3	42%	0.422	47%	0.471	S	S	.	.			trans	-94.6	129.4	164.9	-178.5	-9	0	0	0	108.5	E352 N356 M357 L358	E352-N354 PolarHBondContact O-N 3.15Å; N354-N356 PolarHBondContact O-N 3.24Å; N354-N356 VanDerWaalsContact O-N 3.08Å; N354-N356 PolarHBondContact OD1-N 2.77Å; N354-N356 VanDerWaalsContact OD1-N 3.15Å; N354-M357 HydrophobicContact CB-CE 4.33Å; N354-M357 HydrophobicContact CB-CG 4.3Å; N354-M357 HydrophobicContact CB-SD 3.99Å; N354-M357 WeakPolarHBondContact O-CB 3.35Å; N354-M357 PolarHBondContact O-N 3.33Å; N354-L358 WeakPolarHBondContact O-CD1 3.36Å
355	M	73.4	Confident	75.1	Confident	50 Å²	50	84 Å²	84	25%	0.246	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-58.4	-25.6	-178.3	-67.1	-62.1	141.6	0	0	113.3	K319 T322 M357 L358	K319-M355 HydrophobicContact CB-CE 4.21Å; K319-M355 HydrophobicContact CB-SD 3.94Å; K319-M355 HydrophobicContact CD-SD 3.93Å; K319-M355 HydrophobicContact CG-CE 3.98Å; K319-M355 HydrophobicContact CG-SD 3.66Å; T322-M355 VanDerWaalsContact CB-CE 3.49Å; T322-M355 HydrophobicContact CG2-CE 3.49Å; T322-M355 VanDerWaalsContact CG2-CE 3.49Å; M355-M357 PolarHBondContact O-N 2.89Å; M355-L358 PolarHBondContact O-N 2.87Å; M355-L358 HydrophobicContact SD-CD1 4.4Å
356	N	69.3	Low	72.5	Confident	150 Å²	150	86.7 Å²	86.7	80%	0.802	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-68.1	-12.9	176.9	-58.6	4.9	0	0	0	113.4	N354	N354-N356 PolarHBondContact O-N 3.24Å; N354-N356 VanDerWaalsContact O-N 3.08Å; N354-N356 PolarHBondContact OD1-N 2.77Å; N354-N356 VanDerWaalsContact OD1-N 3.15Å
357	M	68.9	Low	69.9	Low	109 Å²	109	88 Å²	88	54%	0.537	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-87	-12.6	173.9	-62.1	166.5	169.7	0	0	112.5	V345 N354 M355	V345-M357 HydrophobicContact CG1-CB 4.44Å; N354-M357 HydrophobicContact CB-CE 4.33Å; N354-M357 HydrophobicContact CB-CG 4.3Å; N354-M357 HydrophobicContact CB-SD 3.99Å; N354-M357 WeakPolarHBondContact O-CB 3.35Å; N354-M357 PolarHBondContact O-N 3.33Å; M355-M357 PolarHBondContact O-N 2.89Å
358	L	74	Confident	67.3	Low	14 Å²	14	91.1 Å²	91.1	7%	0.073	53%	0.531	C	S	.	.	S	Bend	trans	-101.6	121.5	178.9	-64.2	92.4	0	0	0	109	C314 D315 I318 L353 N354 M355 C360	C314-L358 VanDerWaalsContact O-CD2 3.3Å; C314-L358 WeakPolarHBondContact O-CD2 3.48Å; D315-L358 VanDerWaalsContact O-CD2 3.27Å; D315-L358 WeakPolarHBondContact O-CD2 3.11Å; I318-L358 HydrophobicContact CG2-CD2 4.13Å; L353-L358 HydrophobicContact CB-CD1 4.4Å; N354-L358 WeakPolarHBondContact O-CD1 3.36Å; M355-L358 PolarHBondContact O-N 2.87Å; M355-L358 HydrophobicContact SD-CD1 4.4Å; L358-C360 PolarHBondContact O-N 3.09Å
359	S	66	Low	64.4	Low	130 Å²	130	94.8 Å²	94.8	91%	0.909	55%	0.551	S	S	*	*			trans	-75.4	66.6	-178.6	-64.3	0	0	0	0	111.9
360	C	70.3	Confident	61.7	Low	49 Å²	49	99.6 Å²	99.6	33%	0.331	58%	0.577	S	S	.	*			trans	-89.7	132.7	-174.8	-70.4	0	0	0	0	113	C316 L358 T362	C316-C360 WeakPolarHBondContact CA-SG 3.26Å; C316-C360 HydrophobicContact CB-CB 4.15Å; C316-C360 WeakPolarHBondContact CB-SG 3.49Å; C316-C360 WeakPolarHBondContact SG-CA 3.25Å; C316-C360 WeakPolarHBondContact SG-CB 3.46Å; C316-C360 CovalentContact SG-SG 2.04Å; C316-C360 PolarHBondContact SG-SG 3.07Å; L358-C360 PolarHBondContact O-N 3.09Å; C360-T362 PolarHBondContact O-N 2.87Å
361	P	68.1	Low	58.9	Low	102 Å²	102	106.5 Å²	106.5	66%	0.662	61%	0.613	S	S	*	*			trans	-64	122.7	173.6	26.9	-33.1	0	0	0	109.7	T363	P361-T363 PolarHBondContact O-N 2.85Å
362	T	52.7	Low	56.1	Low	132 Å²	132	105.9 Å²	105.9	81%	0.81	62%	0.624	S	S	*	*			trans	-77.4	76.4	174.9	51.4	0	0	0	0	109.8	C360 T364	C360-T362 PolarHBondContact O-N 2.87Å; T362-T364 PolarHBondContact O-N 3Å
363	T	45.6	Very low	53.7	Low	115 Å²	115	104.2 Å²	104.2	71%	0.706	63%	0.627	S	S	*	*			trans	-72.7	75.6	179.1	-43.7	0	0	0	0	111.2	P361 P365	P361-T363 PolarHBondContact O-N 2.85Å; T363-P365 WeakPolarHBondContact O-CD 3.49Å
364	T	38.6	Very low	51	Low	116 Å²	116	108.6 Å²	108.6	71%	0.712	66%	0.663	S	S	*	*			trans	-66.2	125.8	157.5	-53.3	0	0	0	0	107.8	T362 G366	T362-T364 PolarHBondContact O-N 3Å; T364-G366 PolarHBondContact O-N 3.14Å
365	P	46.8	Very low	48.7	Very low	121 Å²	121	110.6 Å²	110.6	79%	0.786	68%	0.684	S	S	*	*			trans	-71.7	75.1	174.1	-18.3	33.7	0	0	0	110.9	T363 L367	T363-P365 WeakPolarHBondContact O-CD 3.49Å; P365-L367 PolarHBondContact O-N 3.37Å
366	G	35.5	Very low	46.6	Very low	62 Å²	62	112.7 Å²	112.7	64%	0.639	71%	0.709	S	S	*	*			trans	-66.8	112.3	174.9	0	0	0	0	0	110.4	T364	T364-G366 PolarHBondContact O-N 3.14Å
367	L	39.1	Very low	44.8	Very low	159 Å²	159	111.9 Å²	111.9	83%	0.832	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-53.7	129	171	-72.5	156.4	0	0	0	110	P365 L369	P365-L367 PolarHBondContact O-N 3.37Å; L367-L369 PolarHBondContact O-N 3.16Å
368	P	37.6	Very low	42.8	Very low	120 Å²	120	112.7 Å²	112.7	78%	0.779	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-60	120.2	164.8	-20.8	33.1	0	0	0	109.1	V370	P368-V370 PolarHBondContact O-N 3.47Å
369	L	32.8	Very low	40.6	Very low	158 Å²	158	119.7 Å²	119.7	83%	0.827	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-65	123.1	177.9	-81.7	163.8	0	0	0	110	L367 I371	L367-L369 PolarHBondContact O-N 3.16Å; L369-I371 PolarHBondContact O-N 3.31Å
370	V	37.9	Very low	39.5	Very low	131 Å²	131	118.5 Å²	118.5	79%	0.794	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-66.4	117.8	170.7	176.5	0	0	0	0	108.6	P368	P368-V370 PolarHBondContact O-N 3.47Å
371	I	34.4	Very low	37.7	Very low	144 Å²	144	121.1 Å²	121.1	74%	0.738	76%	0.759	S	S	*	*			trans	-127	103.4	168.7	-60.4	174.7	0	0	0	108.1	L369	L369-I371 PolarHBondContact O-N 3.31Å
372	T	32.3	Very low	36	Very low	124 Å²	124	121.8 Å²	121.8	76%	0.761	76%	0.761	S	S	*	*			trans	-117.8	134.4	161.6	46.5	0	0	0	0	108.8
373	P	38.3	Very low	34.9	Very low	123 Å²	123	123.1 Å²	123.1	80%	0.799	76%	0.762	S	S	*	*			trans	-115.8	172.8	136.6	-5.1	25.8	0	0	0	110.8
374	A	28.9	Very low	34	Very low	92 Å²	92	123.5 Å²	123.5	76%	0.76	76%	0.764	S	S	*	*			trans	-129.3	153.1	-158.8	0	0	0	0	0	116.4
375	S	31.3	Very low	34.2	Very low	122 Å²	122	123.2 Å²	123.2	85%	0.853	77%	0.765	S	S	*	*			trans	55.8	102.9	140.9	-59.6	0	0	0	0	122.2
376	A	31.1	Very low	33.4	Very low	93 Å²	93	123.7 Å²	123.7	77%	0.769	77%	0.765	S	S	*	*				-165.8	149.7	129.8	0	0	0	0	0	108.2
377	T	31.1	Very low	33.2	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	77%	0.771	S	S	*	*			cis	-161.3	177.1	-17.8	10.5	0	0	0	0	105.7
378	T	27.5	Very low	32.7	Very low	127 Å²	127	123 Å²	123	78%	0.779	76%	0.764	S	S	*	*			cis	-140.9	-131.4	17.7	-36.5	0	0	0	0	110.4
379	M	27	Very low	32.3	Very low	161 Å²	161	124.8 Å²	124.8	79%	0.793	77%	0.765	S	S	*	*			trans	-157.8	178.4	-174.2	-88.2	-76.2	-89.6	0	0	107.5
380	P	42.3	Very low	32.6	Very low	104 Å²	104	122.4 Å²	122.4	68%	0.675	76%	0.759	S	S	*	*			cis	-130	-158	8.3	35.4	-11.1	0	0	0	111.9
381	T	32.3	Very low	33.2	Very low	104 Å²	104	121.6 Å²	121.6	64%	0.638	76%	0.757	S	S	*	*			cis	-159.9	164.8	2.5	-16.4	0	0	0	0	110.6
382	T	32.1	Very low	33.7	Very low	116 Å²	116	119.9 Å²	119.9	71%	0.712	76%	0.755	S	S	*	*			trans	58.9	139.6	150.8	56.3	0	0	0	0	121
383	L	29.8	Very low	33.4	Very low	160 Å²	160	118.8 Å²	118.8	84%	0.838	75%	0.752	S	S	*	*			cis	-157.3	166.8	-3.6	-116.1	166.8	0	0	0	110.6
384	V	28	Very low	33	Very low	123 Å²	123	118 Å²	118	75%	0.745	75%	0.749	S	S	*	*			trans	-131.9	163.1	-179.1	-141.7	0	0	0	0	110.1
385	P	41.8	Very low	32.9	Very low	111 Å²	111	123.5 Å²	123.5	72%	0.721	76%	0.756	S	S	*	*				-142.7	-175.3	88.9	42.6	-26.6	0	0	0	112.4
386	T	29.7	Very low	32.7	Very low	131 Å²	131	127.6 Å²	127.6	80%	0.804	76%	0.755	S	S	*	*			cis	-147	-153.7	11.6	-28.1	0	0	0	0	110.9
387	S	32.4	Very low	32.4	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	75%	0.753	S	S	*	*			trans	-130.2	-176.2	176.9	57.9	0	0	0	0	110.1
388	S	28.5	Very low	33	Very low	99 Å²	99	128.3 Å²	128.3	69%	0.692	75%	0.746	S	S	*	*			cis	-166.7	127.2	21.5	50.4	0	0	0	0	115.5
389	I	28.8	Very low	32.9	Very low	157 Å²	157	130.4 Å²	130.4	81%	0.805	75%	0.752	S	S	*	*				23	145.1	110.4	-82.9	167	0	0	0	119.8
390	P	39.9	Very low	32.9	Very low	109 Å²	109	128.7 Å²	128.7	71%	0.708	75%	0.751	S	S	*	*			cis	-147.7	-132.8	-18.4	51	-28.6	0	0	0	114.7
391	P	50.5	Low	33	Very low	113 Å²	113	129.6 Å²	129.6	73%	0.734	76%	0.756	S	S	*	*			trans	-119.5	-137.5	-157	31.9	-1.5	0	0	0	112.1
392	P	44.1	Very low	32.7	Very low	108 Å²	108	129 Å²	129	70%	0.701	76%	0.762	S	S	*	*			cis	-146.5	-172.7	-7.7	43.8	-21.7	0	0	0	119.6
393	S	26.8	Very low	32.5	Very low	101 Å²	101	131.1 Å²	131.1	71%	0.706	77%	0.767	S	S	*	*			trans	77	107.1	144.9	64.6	0	0	0	0	125.3
394	S	29.4	Very low	32.3	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	76%	0.761	S	S	*	*			trans	43.8	131	130.9	67.8	0	0	0	0	124.8
395	K	26.5	Very low	32.1	Very low	208 Å²	208	128 Å²	128	90%	0.904	77%	0.765	S	S	*	*				-171.7	175.3	115.6	-103.3	168.7	-174.5	177.6	0	114.5
396	Y	27.4	Very low	31.5	Very low	209 Å²	209	130.1 Å²	130.1	82%	0.82	77%	0.769	S	S	*	*			trans	-88.4	147	-158.1	-88.3	-107.3	0	0	0	117.8
397	N	24.2	Very low	31.4	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	77%	0.769	S	S	*	*			trans	52.3	167.8	135.6	-70.8	16.9	0	0	0	122.7
398	P	44	Very low	31.1	Very low	105 Å²	105	131.1 Å²	131.1	68%	0.682	77%	0.773	S	S	*	*			cis	-134	178.9	-39	37.4	-21.6	0	0	0	113.1
399	L	25.8	Very low	31.3	Very low	171 Å²	171	132.2 Å²	132.2	90%	0.895	78%	0.775	S	S	*	*			trans	166.5	163.7	137.5	-90.7	159.2	0	0	0	114.1
400	T	25.9	Very low	31.5	Very low	125 Å²	125	130.4 Å²	130.4	77%	0.767	77%	0.773	S	S	*	*			trans	-143.3	-179.6	-175.5	40.7	0	0	0	0	109.5
401	P	45.4	Very low	31	Very low	122 Å²	122	132.3 Å²	132.3	79%	0.792	78%	0.777	S	S	*	*			cis	-135	169.9	-39.9	37	-20.2	0	0	0	114.9
402	A	24.7	Very low	29.9	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	78%	0.783	S	S	*	*			trans	-171	139.4	156.2	0	0	0	0	0	108.7
403	I	28.3	Very low	29.3	Very low	160 Å²	160	139.8 Å²	139.8	82%	0.821	78%	0.784	S	S	*	*			cis	90	102.5	40.4	-62.9	172.2	0	0	0	114.7
404	A	25.4	Very low	29.3	Very low	86 Å²	86	143 Å²	143	71%	0.711	79%	0.793	S	S	*	*			trans	175.7	110.7	147.5	0	0	0	0	0	108.2
405	T	25.1	Very low	29.6	Very low	133 Å²	133	149.5 Å²	149.5	82%	0.816	80%	0.801	S	S	*	*				80.9	137	65.1	60.2	0	0	0	0	116.5
406	L	28.7	Very low	29.7	Very low	155 Å²	155	148.7 Å²	148.7	81%	0.812	80%	0.801	S	S	*	*			trans	-59	167.3	-170.3	-87.9	67.9	0	0	0	116.9
407	P	28.3	Very low	29.8	Very low	124 Å²	124	148 Å²	148	81%	0.805	81%	0.805	S	S	*	*				-119.2	179.7	118.7	36.9	-34.4	0	0	0	114.3
408	T	26	Very low	30	Very low	135 Å²	135	150.3 Å²	150.3	83%	0.828	81%	0.814	S	S	*	*			trans	-111.8	169.5	-153.2	10.4	0	0	0	0	117.2
409	V	31.2	Very low	29.3	Very low	122 Å²	122	150.9 Å²	150.9	74%	0.739	82%	0.816	S	S	*	*			trans	-77.4	157.6	177.6	177.7	0	0	0	0	112.6
410	P	34.4	Very low	29.7	Very low	118 Å²	118	148 Å²	148	77%	0.766	81%	0.807	S	S	*	*			trans	-128.2	152	133	37.6	-30.1	0	0	0	113.4
411	D	28.2	Very low	30.2	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	81%	0.81	S	S	*	*			trans	-78	152.3	-170.9	-43.9	-94.2	0	0	0	114.7
412	R	27.8	Very low	29.8	Very low	224 Å²	224	150.4 Å²	150.4	85%	0.845	81%	0.813	S	S	*	*				-163.6	171.3	106.4	-120.5	-172.2	162	137	1.5	115.8
413	E	32.8	Very low	30.6	Very low	154 Å²	154	149.3 Å²	149.3	72%	0.72	80%	0.8	S	S	*	*			trans	-71.7	139.5	-172.1	-57	140	105.9	0	0	113.2
414	D	26.3	Very low	31.7	Very low	170 Å²	170	149.9 Å²	149.9	91%	0.909	80%	0.8	S	S	*	*				-154.2	159.2	125.3	-118.3	-35.8	0	0	0	110.7
415	R	35.1	Very low	33.5	Very low	241 Å²	241	154.6 Å²	154.6	91%	0.909	80%	0.799	S	S	*	*			trans	-108.9	114.8	-179.4	-84.2	179.8	167.8	177.6	-4.2	111.2
416	E	27.8	Very low	35.7	Very low	192 Å²	192	148.6 Å²	148.6	90%	0.897	76%	0.762	S	S	*	*			trans	-120.1	139.6	157.7	-69.8	-163.8	133.5	0	0	110.8	M418	E416-M418 PolarHBondContact O-N 3.11Å
417	E	31	Very low	38.1	Very low	194 Å²	194	147.5 Å²	147.5	91%	0.907	75%	0.752	S	S	*	*			trans	-82.3	96.5	-177.2	-67.1	-179.1	112	0	0	110.8	T419	E417-T419 PolarHBondContact O-N 2.93Å; E417-T419 VanDerWaalsContact O-N 3.14Å
418	M	27.1	Very low	40.8	Very low	184 Å²	184	142.9 Å²	142.9	91%	0.906	72%	0.721	S	S	*	*			trans	-71.6	106.9	169.6	-163.2	68.2	166.5	0	0	109.5	E416	E416-M418 PolarHBondContact O-N 3.11Å
419	T	31	Very low	43.5	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-66.1	141.1	-177.2	44.9	0	0	0	0	112.2	E417	E417-T419 PolarHBondContact O-N 2.93Å; E417-T419 VanDerWaalsContact O-N 3.14Å
420	P	33	Very low	46.1	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.3	155.2	169.1	30	-34.4	0	0	0	110.6
421	P	36.8	Very low	48.3	Very low	126 Å²	126	133.6 Å²	133.6	82%	0.818	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-62.2	150.1	-175.2	25.2	-34.5	0	0	0	113	S423	P421-S423 PolarHBondContact O-N 2.92Å
422	I	37.2	Very low	50.7	Low	170 Å²	170	130 Å²	130	87%	0.872	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.3	-175.8	-64.1	171.1	0	0	0	110.4
423	S	41.3	Very low	53.1	Low	69 Å²	69	122.4 Å²	122.4	48%	0.483	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-81.7	124.2	-170.2	61.6	0	0	0	0	113.8	P421 R425	P421-S423 PolarHBondContact O-N 2.92Å; S423-R425 PolarHBondContact O-N 3.09Å; S423-R425 VanDerWaalsContact O-N 3.11Å
424	E	52.2	Low	55.2	Low	173 Å²	173	118.4 Å²	118.4	81%	0.808	60%	0.595	S	S	*	*			trans	-70.2	96.7	156.4	-64.9	-170.5	160.4	0	0	108.9
425	R	61.9	Low	57.5	Low	185 Å²	185	112 Å²	112	70%	0.698	56%	0.561	S	S	*	*			trans	-143	146.4	175.5	-72.1	-175.5	-175.9	-172.9	1.9	111.3	S423	S423-R425 PolarHBondContact O-N 3.09Å; S423-R425 VanDerWaalsContact O-N 3.11Å
426	I	72.7	Confident	59.6	Low	7 Å²	7	102.9 Å²	102.9	4%	0.036	53%	0.532	C	S	.	.			trans	-75.4	125.7	165.5	-59.8	170.2	0	0	0	107.9	W442 M443 F446 Y451 L494 P496 V510	I426-W442 HydrophobicContact CG2-CB 4.27Å; I426-M443 WeakPolarHBondContact CA-O 2.88Å; I426-F446 HydrophobicContact CD1-CZ 3.98Å; I426-F446 HydrophobicContact CG1-CE1 4.1Å; I426-F446 HydrophobicContact CG1-CZ 3.86Å; I426-Y451 HydrophobicContact CD1-CE1 4.24Å; I426-L494 HydrophobicContact CG2-CD2 3.76Å; I426-P496 HydrophobicContact CD1-CB 4.14Å; I426-P496 HydrophobicContact CD1-CG 3.8Å; I426-V510 HydrophobicContact CB-CG2 4.09Å
427	Q	78.2	Confident	62.1	Low	131 Å²	131	94 Å²	94	61%	0.612	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.4	173.5	-170.5	175.5	8.5	0	0	109.4	W442 M443	Q427-W442 CarbonylContact O-C 3.53Å; Q427-W442 WeakPolarHBondContact O-CA 3.22Å; Q427-M443 PolarHBondContact N-O 2.93Å; Q427-M443 PolarHBondContact O-N 2.94Å
428	L	84.8	Confident	64.7	Low	28 Å²	28	84.8 Å²	84.8	15%	0.147	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.4	176.4	-171.7	69.1	0	0	0	109.3	V440 W442 L494 V510	L428-V440 HydrophobicContact CD1-CG1 3.53Å; L428-V440 HydrophobicContact CG-CG1 4.4Å; L428-W442 HydrophobicContact CD1-CB 4.13Å; L428-L494 HydrophobicContact CD1-CB 4.25Å; L428-L494 HydrophobicContact CD1-CD2 3.98Å; L428-V510 HydrophobicContact CB-CG1 3.84Å; L428-V510 HydrophobicContact CD2-CG1 4.25Å
429	S	82.5	Confident	67.5	Low	48 Å²	48	78.9 Å²	78.9	34%	0.336	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146	174.7	61.2	0	0	0	0	111.5	N441	S429-N441 PolarHBondContact N-O 2.9Å; S429-N441 PolarHBondContact O-N 3.49Å; S429-N441 VanDerWaalsContact O-O 3.09Å
430	I	85.4	Confident	70.3	Confident	34 Å²	34	73.3 Å²	73.3	17%	0.174	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	-168.3	-60.4	-176.1	0	0	0	109.3	F432 I438 I492 A514	I430-F432 HydrophobicContact CG2-CE2 4.33Å; I430-F432 HydrophobicContact CG2-CZ 4.18Å; I430-I438 HydrophobicContact CG2-CG2 3.39Å; I430-I492 HydrophobicContact CD1-CD1 4.17Å; I430-A514 HydrophobicContact CD1-CB 4.02Å; I430-A514 HydrophobicContact CG2-CB 4Å
431	H	80.9	Confident	72.8	Confident	97 Å²	97	69.6 Å²	69.6	45%	0.449	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.3	-178.5	-61.7	-97	0	0	0	110	V433 Q439 N441	H431-V433 PolarHBondContact O-N 3.17Å; H431-Q439 HydrophobicContact CB-CB 4.39Å; H431-Q439 PolarHBondContact N-O 3.49Å; H431-Q439 PolarHBondContact O-N 3.35Å; H431-N441 PolarHBondContact CD2-ND2 3.23Å; H431-N441 PolarHBondContact NE2-ND2 2.78Å
432	F	79.9	Confident	75.4	Confident	73 Å²	73	64 Å²	64	32%	0.32	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	102.6	-178.2	-60.7	-88.2	0	0	0	110.4	I430 I438 A514 T515 K517	I430-F432 HydrophobicContact CG2-CE2 4.33Å; I430-F432 HydrophobicContact CG2-CZ 4.18Å; F432-I438 HydrophobicContact CD1-CD1 3.97Å; F432-I438 HydrophobicContact CD1-CG1 3.88Å; F432-I438 HydrophobicContact CE1-CD1 3.76Å; F432-I438 HydrophobicContact CE1-CG1 4.18Å; F432-A514 HydrophobicContact CE1-CB 3.97Å; F432-A514 HydrophobicContact CZ-CB 3.89Å; F432-T515 WeakPolarHBondContact CE1-O 3.39Å; F432-K517 HydrophobicContact CB-CD 4.5Å
433	V	78.2	Confident	77.5	Confident	65 Å²	65	60.4 Å²	60.4	39%	0.394	30%	0.302	S	S	.	.			trans	-72.3	-51.4	-177.7	-176.4	0	0	0	0	110.2	H431 C437 Q439	H431-V433 PolarHBondContact O-N 3.17Å; V433-C437 HydrophobicContact CB-CB 4.27Å; V433-C437 PolarHBondContact N-O 3.37Å; V433-Q439 HydrophobicContact CG2-CB 3.88Å
434	N	75.4	Confident	79.4	Confident	71 Å²	71	58.5 Å²	58.5	38%	0.38	29%	0.288	S	S	.	.	S	Bend	trans	-145.3	-151.5	172.9	65.9	18.9	0	0	0	110.9	T436 C437	N434-T436 PolarHBondContact OD1-N 3.35Å; N434-T436 PolarHBondContact OD1-OG1 3.23Å; N434-C437 PolarHBondContact N-O 2.77Å; N434-C437 WeakPolarHBondContact OD1-CA 3.41Å; N434-C437 WeakPolarHBondContact OD1-CB 3.25Å; N434-C437 PolarHBondContact OD1-N 2.96Å
435	D	75.9	Confident	80.2	Confident	35 Å²	35	56.7 Å²	56.7	19%	0.187	28%	0.283	C	S	.	.	S	Bend	trans	-84.5	-13.9	178.3	62.2	-18.9	0	0	0	114.3	P486 T516 S519	D435-P486 HydrophobicContact CB-CB 4.4Å; D435-P486 HydrophobicContact CB-CG 4.43Å; D435-P486 WeakPolarHBondContact O-CA 3.39Å; D435-T516 WeakPolarHBondContact O-CB 3.28Å; D435-S519 VanDerWaalsContact OD2-CA 3.28Å; D435-S519 WeakPolarHBondContact OD2-CA 3.46Å; D435-S519 WeakPolarHBondContact OD2-CB 3.18Å; D435-S519 PolarHBondContact OD2-OG 2.97Å
436	T	78	Confident	80.8	Confident	49 Å²	49	50.3 Å²	50.3	30%	0.301	26%	0.261	S	S	.	.	S	Bend	trans	-126.3	-2.2	-175	51.1	0	0	0	0	113.7	N434 N483 L484 P486	N434-T436 PolarHBondContact OD1-N 3.35Å; N434-T436 PolarHBondContact OD1-OG1 3.23Å; T436-N483 PolarHBondContact O-N 3.23Å; T436-L484 WeakPolarHBondContact CA-O 3.37Å; T436-L484 WeakPolarHBondContact CB-O 3.43Å; T436-L484 WeakPolarHBondContact CG2-O 3.27Å; T436-L484 WeakPolarHBondContact O-CB 3.32Å; T436-L484 PolarHBondContact O-N 3.02Å; T436-P486 HydrophobicContact CG2-CG 3.92Å
437	C	80.8	Confident	80.7	Confident	7 Å²	7	56.6 Å²	56.6	5%	0.047	30%	0.3	C	S	.	.			trans	-135.3	127.6	-174.6	-176.3	0	0	0	0	112.1	V433 N434 L481	V433-C437 HydrophobicContact CB-CB 4.27Å; V433-C437 PolarHBondContact N-O 3.37Å; N434-C437 PolarHBondContact N-O 2.77Å; N434-C437 WeakPolarHBondContact OD1-CA 3.41Å; N434-C437 WeakPolarHBondContact OD1-CB 3.25Å; N434-C437 PolarHBondContact OD1-N 2.96Å; C437-L481 CarbonylContact C-O 3.47Å; C437-L481 VanDerWaalsContact CA-O 3.26Å; C437-L481 WeakPolarHBondContact CA-O 3.47Å
438	I	85.3	Confident	80.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.6	177.5	-66.8	179.7	0	0	0	108.8	I430 F432 V440 L481 L484 I492 A514 T516	I430-I438 HydrophobicContact CG2-CG2 3.39Å; F432-I438 HydrophobicContact CD1-CD1 3.97Å; F432-I438 HydrophobicContact CD1-CG1 3.88Å; F432-I438 HydrophobicContact CE1-CD1 3.76Å; F432-I438 HydrophobicContact CE1-CG1 4.18Å; I438-V440 HydrophobicContact CG2-CG2 4.1Å; I438-L481 PolarHBondContact N-O 3.04Å; I438-L481 PolarHBondContact O-N 2.82Å; I438-L484 HydrophobicContact CB-CD1 3.89Å; I438-L484 HydrophobicContact CD1-CD1 3.7Å; I438-L484 HydrophobicContact CG1-CD1 3.71Å; I438-I492 HydrophobicContact CG2-CD1 4.45Å; I438-A514 HydrophobicContact CD1-CB 4.04Å; I438-T516 HydrophobicContact CD1-CG2 3.85Å; I438-T516 HydrophobicContact CG1-CG2 4.34Å
439	Q	85.9	Confident	80.4	Confident	60 Å²	60	56 Å²	56	28%	0.28	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.9	170.8	-178	177.8	-4.7	0	0	109.7	H431 V433 N441	H431-Q439 HydrophobicContact CB-CB 4.39Å; H431-Q439 PolarHBondContact N-O 3.49Å; H431-Q439 PolarHBondContact O-N 3.35Å; V433-Q439 HydrophobicContact CG2-CB 3.88Å; Q439-N441 WeakPolarHBondContact CG-OD1 3.3Å; Q439-N441 PolarHBondContact NE2-OD1 3.11Å
440	V	89.3	Confident	80.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.1	177.7	-175.1	0	0	0	0	108	L428 I438 W442 L453 H478 L479 L481 I492	L428-V440 HydrophobicContact CD1-CG1 3.53Å; L428-V440 HydrophobicContact CG-CG1 4.4Å; I438-V440 HydrophobicContact CG2-CG2 4.1Å; V440-W442 HydrophobicContact CG1-CE3 4.27Å; V440-W442 HydrophobicContact CG1-CZ3 4.48Å; V440-W442 WeakPolarHBondContact O-CZ3 3.47Å; V440-L453 HydrophobicContact CB-CD2 4.29Å; V440-L453 HydrophobicContact CG1-CD1 4.17Å; V440-L453 HydrophobicContact CG1-CD2 4.33Å; V440-L453 HydrophobicContact CG2-CD2 4.41Å; V440-H478 CarbonylContact O-C 3.56Å; V440-H478 WeakPolarHBondContact O-CA 3.32Å; V440-L479 PolarHBondContact N-O 2.73Å; V440-L479 PolarHBondContact O-N 3.18Å; V440-L481 HydrophobicContact CG2-CD1 3.89Å; V440-L481 HydrophobicContact CG2-CG 4.05Å; V440-I492 HydrophobicContact CG1-CG2 4.32Å; V440-I492 HydrophobicContact CG2-CD1 4.13Å; V440-I492 HydrophobicContact CG2-CG2 4.21Å
441	N	87.4	Confident	80.4	Confident	34 Å²	34	52.9 Å²	52.9	18%	0.182	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.4	178.5	-65.6	-23.2	0	0	0	109.2	S429 H431 Q439 K477 H478	S429-N441 PolarHBondContact N-O 2.9Å; S429-N441 PolarHBondContact O-N 3.49Å; S429-N441 VanDerWaalsContact O-O 3.09Å; H431-N441 PolarHBondContact CD2-ND2 3.23Å; H431-N441 PolarHBondContact NE2-ND2 2.78Å; Q439-N441 WeakPolarHBondContact CG-OD1 3.3Å; Q439-N441 PolarHBondContact NE2-OD1 3.11Å; N441-K477 WeakPolarHBondContact CA-O 3.45Å; N441-H478 WeakPolarHBondContact OD1-CB 3.26Å
442	W	89.7	Confident	80.7	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.1	175.1	60.9	90.8	0	0	0	113.9	I426 Q427 L428 V440 Y451 V472 K476 K477 H478 L479 L494	I426-W442 HydrophobicContact CG2-CB 4.27Å; Q427-W442 CarbonylContact O-C 3.53Å; Q427-W442 WeakPolarHBondContact O-CA 3.22Å; L428-W442 HydrophobicContact CD1-CB 4.13Å; V440-W442 HydrophobicContact CG1-CE3 4.27Å; V440-W442 HydrophobicContact CG1-CZ3 4.48Å; V440-W442 WeakPolarHBondContact O-CZ3 3.47Å; W442-Y451 AromaticContact CD1-CE2 3.91Å; W442-Y451 AromaticContact CD1-CZ 3.79Å; W442-Y451 AromaticContact CE2-CD2 3.95Å; W442-Y451 HydrophobicContact CZ2-CD2 4.11Å; W442-Y451 HydrophobicContact CZ2-CG 4.35Å; W442-Y451 AromaticContact NE1-CD1 3.94Å; W442-Y451 AromaticContact NE1-CD2 3.25Å; W442-Y451 AromaticContact NE1-CE1 3.91Å; W442-Y451 AromaticContact NE1-CE2 3.21Å; W442-Y451 AromaticContact NE1-CG 3.63Å; W442-Y451 AromaticContact NE1-CZ 3.57Å; W442-V472 HydrophobicContact CH2-CG2 4.03Å; W442-V472 HydrophobicContact CZ2-CG2 3.75Å; W442-K476 WeakPolarHBondContact CZ2-O 3.26Å; W442-K476 PolarHBondContact NE1-O 3Å; W442-K477 PolarHBondContact N-O 3.07Å; W442-H478 VanDerWaalsContact CH2-C 3.45Å; W442-H478 VanDerWaalsContact CZ3-C 3.48Å; W442-L479 HydrophobicContact CH2-CB 3.8Å; W442-L479 HydrophobicContact CZ3-CB 3.84Å; W442-L494 HydrophobicContact CB-CD2 3.45Å; W442-L494 VanDerWaalsContact CB-CD2 3.45Å; W442-L494 HydrophobicContact CD2-CD1 4.21Å; W442-L494 HydrophobicContact CD2-CD2 3.78Å; W442-L494 HydrophobicContact CE3-CD1 4.46Å; W442-L494 HydrophobicContact CE3-CD2 4.33Å; W442-L494 HydrophobicContact CG-CD2 3.37Å
443	M	81.8	Confident	81.1	Confident	95 Å²	95	46 Å²	46	47%	0.468	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.5	175.9	-173	166.2	67.4	0	0	110.5	I426 Q427	I426-M443 WeakPolarHBondContact CA-O 2.88Å; Q427-M443 PolarHBondContact N-O 2.93Å; Q427-M443 PolarHBondContact O-N 2.94Å
444	S	80.9	Confident	81.6	Confident	29 Å²	29	44.2 Å²	44.2	20%	0.203	24%	0.238	C	C	.	.			trans	-94	154.9	165.6	63.4	0	0	0	0	110.5	F446 Y451	S444-F446 WeakPolarHBondContact CB-O 3.24Å; S444-F446 PolarHBondContact OG-O 3.27Å; S444-Y451 VanDerWaalsContact CB-OH 3.26Å; S444-Y451 WeakPolarHBondContact CB-OH 2.99Å; S444-Y451 PolarHBondContact OG-OH 2.85Å
445	L	70.3	Confident	82.2	Confident	134 Å²	134	42.5 Å²	42.5	70%	0.702	23%	0.227	S	C	*	.	S	Bend	trans	-95.9	-2.4	167.9	-64.5	172.5	0	0	0	112.4
446	F	73.1	Confident	82.7	Confident	51 Å²	51	42.5 Å²	42.5	22%	0.224	23%	0.228	C	C	.	.	S	Bend	trans	-126.5	160.6	179.8	54.6	-91.9	0	0	0	111.5	I426 S444 V448 P496	I426-F446 HydrophobicContact CD1-CZ 3.98Å; I426-F446 HydrophobicContact CG1-CE1 4.1Å; I426-F446 HydrophobicContact CG1-CZ 3.86Å; S444-F446 WeakPolarHBondContact CB-O 3.24Å; S444-F446 PolarHBondContact OG-O 3.27Å; F446-V448 HydrophobicContact CD2-CG2 3.58Å; F446-V448 HydrophobicContact CE2-CG2 3.45Å; F446-V448 VanDerWaalsContact CE2-CG2 3.45Å; F446-P496 HydrophobicContact CE2-CB 4.41Å; F446-P496 HydrophobicContact CE2-CG 4.49Å
447	T	71.8	Confident	82.9	Confident	140 Å²	140	44 Å²	44	86%	0.859	23%	0.23	S	C	*	.			trans	-73.3	135.7	175.9	44.4	0	0	0	0	111.3
448	V	77.6	Confident	82.6	Confident	23 Å²	23	47.4 Å²	47.4	14%	0.139	25%	0.246	C	C	.	.			trans	-131.4	142.9	-179.1	177.3	0	0	0	0	108	F446 A450 Y451 G474 P496	F446-V448 HydrophobicContact CD2-CG2 3.58Å; F446-V448 HydrophobicContact CE2-CG2 3.45Å; F446-V448 VanDerWaalsContact CE2-CG2 3.45Å; V448-A450 WeakPolarHBondContact CG1-O 3.42Å; V448-Y451 HydrophobicContact CB-CE1 4.1Å; V448-Y451 HydrophobicContact CB-CE2 4.2Å; V448-Y451 HydrophobicContact CG1-CD1 4.06Å; V448-Y451 HydrophobicContact CG1-CD2 4.39Å; V448-Y451 HydrophobicContact CG1-CE1 3.79Å; V448-Y451 HydrophobicContact CG1-CE2 4.15Å; V448-Y451 HydrophobicContact CG1-CG 4.34Å; V448-Y451 HydrophobicContact CG2-CE1 3.97Å; V448-G474 WeakPolarHBondContact O-CA 3.46Å; V448-P496 HydrophobicContact CG1-CB 3.72Å; V448-P496 HydrophobicContact CG2-CB 3.93Å
449	M	78.8	Confident	81.4	Confident	124 Å²	124	49.8 Å²	49.8	61%	0.611	27%	0.271	S	S	*	.	S	Bend	trans	-86.9	-42.1	-179.2	-64.4	-56.8	-62.3	0	0	112	G474 A499	M449-G474 PolarHBondContact O-N 2.79Å; M449-A499 HydrophobicContact CG-CB 4.21Å
450	A	82.3	Confident	79.3	Confident	12 Å²	12	56.2 Å²	56.2	10%	0.099	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.4	173.1	0	0	0	0	0	110.9	V448 I471 V472 L497	V448-A450 WeakPolarHBondContact CG1-O 3.42Å; A450-I471 HydrophobicContact CB-CG2 4.05Å; A450-V472 CarbonylContact C-O 3.59Å; A450-V472 VanDerWaalsContact CA-O 3.25Å; A450-V472 WeakPolarHBondContact CA-O 3.33Å; A450-V472 WeakPolarHBondContact CB-O 3.48Å; A450-L497 HydrophobicContact CB-CB 4.32Å; A450-L497 HydrophobicContact CB-CD1 4.38Å; A450-L497 WeakPolarHBondContact O-CB 3.39Å; A450-L497 PolarHBondContact O-N 3.21Å
451	Y	85.4	Confident	77	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137	169.5	-66.4	-78.4	0	0	0	110.1	I426 W442 S444 V448 I471 V472 G474 L494 V495 P496	I426-Y451 HydrophobicContact CD1-CE1 4.24Å; W442-Y451 AromaticContact CD1-CE2 3.91Å; W442-Y451 AromaticContact CD1-CZ 3.79Å; W442-Y451 AromaticContact CE2-CD2 3.95Å; W442-Y451 HydrophobicContact CZ2-CD2 4.11Å; W442-Y451 HydrophobicContact CZ2-CG 4.35Å; W442-Y451 AromaticContact NE1-CD1 3.94Å; W442-Y451 AromaticContact NE1-CD2 3.25Å; W442-Y451 AromaticContact NE1-CE1 3.91Å; W442-Y451 AromaticContact NE1-CE2 3.21Å; W442-Y451 AromaticContact NE1-CG 3.63Å; W442-Y451 AromaticContact NE1-CZ 3.57Å; S444-Y451 VanDerWaalsContact CB-OH 3.26Å; S444-Y451 WeakPolarHBondContact CB-OH 2.99Å; S444-Y451 PolarHBondContact OG-OH 2.85Å; V448-Y451 HydrophobicContact CB-CE1 4.1Å; V448-Y451 HydrophobicContact CB-CE2 4.2Å; V448-Y451 HydrophobicContact CG1-CD1 4.06Å; V448-Y451 HydrophobicContact CG1-CD2 4.39Å; V448-Y451 HydrophobicContact CG1-CE1 3.79Å; V448-Y451 HydrophobicContact CG1-CE2 4.15Å; V448-Y451 HydrophobicContact CG1-CG 4.34Å; V448-Y451 HydrophobicContact CG2-CE1 3.97Å; Y451-I471 CarbonylContact O-C 3.11Å; Y451-I471 VanDerWaalsContact O-CA 3.3Å; Y451-I471 WeakPolarHBondContact O-CA 3.34Å; Y451-V472 PolarHBondContact N-O 3.17Å; Y451-V472 PolarHBondContact O-N 3.12Å; Y451-G474 WeakPolarHBondContact CE2-O 3.01Å; Y451-L494 HydrophobicContact CD1-CD1 3.92Å; Y451-L494 HydrophobicContact CD1-CD2 4.43Å; Y451-L494 HydrophobicContact CD1-CG 4.22Å; Y451-L494 HydrophobicContact CG-CD1 4.13Å; Y451-V495 WeakPolarHBondContact CA-O 3.27Å; Y451-P496 HydrophobicContact CD1-CB 4.33Å; Y451-P496 HydrophobicContact CE1-CB 4.26Å
452	K	87.3	Confident	74.9	Confident	25 Å²	25	67.3 Å²	67.3	11%	0.109	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.6	166	176.4	164.1	172.1	158.9	0	108.5	T454 E469 I471 V495 L497 Y503	K452-T454 HydrophobicContact CG-CG2 4.11Å; K452-E469 VanDerWaalsContact CE-OE1 3.22Å; K452-E469 WeakPolarHBondContact CE-OE1 3.48Å; K452-E469 WeakPolarHBondContact CE-OE2 3.39Å; K452-E469 IonicContact NZ-OE1 2.69Å; K452-E469 PolarHBondContact NZ-OE1 3Å; K452-E469 IonicContact NZ-OE2 3.67Å; K452-E469 PolarHBondContact NZ-OE2 3.03Å; K452-I471 HydrophobicContact CB-CG1 4.14Å; K452-I471 HydrophobicContact CD-CD1 4.47Å; K452-I471 HydrophobicContact CD-CG1 4.34Å; K452-I471 HydrophobicContact CG-CG1 4.19Å; K452-V495 HydrophobicContact CB-CB 4.44Å; K452-V495 PolarHBondContact N-O 3.14Å; K452-V495 PolarHBondContact O-N 3.07Å; K452-L497 HydrophobicContact CB-CD1 4.15Å; K452-L497 HydrophobicContact CB-CG 4.36Å; K452-Y503 PolarHBondContact NZ-OH 3.48Å
453	L	87.8	Confident	72.6	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.2	169.8	-167.6	78.2	0	0	0	108.8	V440 E469 R470 L479 L481 I492 C493 L494	V440-L453 HydrophobicContact CB-CD2 4.29Å; V440-L453 HydrophobicContact CG1-CD1 4.17Å; V440-L453 HydrophobicContact CG1-CD2 4.33Å; V440-L453 HydrophobicContact CG2-CD2 4.41Å; L453-E469 WeakPolarHBondContact O-CA 3.5Å; L453-R470 PolarHBondContact N-O 3.42Å; L453-R470 PolarHBondContact O-N 2.78Å; L453-L479 HydrophobicContact CB-CD2 4.33Å; L453-L479 HydrophobicContact CD2-CB 4.33Å; L453-L479 HydrophobicContact CD2-CD2 3.83Å; L453-L479 HydrophobicContact CD2-CG 4.42Å; L453-L481 HydrophobicContact CD2-CD2 3.97Å; L453-I492 HydrophobicContact CD1-CG2 3.83Å; L453-I492 HydrophobicContact CD2-CG2 4.38Å; L453-I492 HydrophobicContact CG-CG2 4.23Å; L453-C493 CarbonylContact C-O 3.51Å; L453-C493 WeakPolarHBondContact CA-O 3.46Å; L453-L494 HydrophobicContact CB-CD1 4.41Å; L453-L494 HydrophobicContact CD1-CB 3.93Å; L453-L494 HydrophobicContact CD1-CD1 3.86Å; L453-L494 HydrophobicContact CD1-CG 4.47Å
454	T	88.3	Confident	70.6	Confident	28 Å²	28	71.6 Å²	71.6	17%	0.172	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.6	173.9	67.7	0	0	0	0	110.8	K452 V467 Q468 E469 I492 C493	K452-T454 HydrophobicContact CG-CG2 4.11Å; T454-V467 HydrophobicContact CG2-CG1 4.46Å; T454-Q468 CarbonylContact C-O 3.21Å; T454-Q468 WeakPolarHBondContact CA-O 3.21Å; T454-E469 HydrophobicContact CG2-CB 3.84Å; T454-I492 CarbonylContact O-C 3.48Å; T454-I492 WeakPolarHBondContact O-CA 3.16Å; T454-C493 PolarHBondContact N-O 2.84Å; T454-C493 PolarHBondContact O-N 3.5Å
455	W	88.4	Confident	69	Low	35 Å²	35	72.4 Å²	72.4	13%	0.133	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.8	173.4	64	103.3	0	0	0	112.7	Q468 R470 L481 R491 I492	W455-Q468 HydrophobicContact CD2-CB 3.76Å; W455-Q468 HydrophobicContact CE3-CB 4.25Å; W455-Q468 HydrophobicContact CG-CB 4.26Å; W455-Q468 HydrophobicContact CH2-CB 4Å; W455-Q468 HydrophobicContact CZ2-CB 3.5Å; W455-Q468 HydrophobicContact CZ2-CG 4.24Å; W455-Q468 HydrophobicContact CZ3-CB 4.35Å; W455-Q468 PolarHBondContact N-O 3.07Å; W455-Q468 PolarHBondContact O-N 2.93Å; W455-R470 HydrophobicContact CH2-CB 4.23Å; W455-R470 HydrophobicContact CZ3-CB 4.11Å; W455-L481 HydrophobicContact CB-CD1 4.14Å; W455-L481 HydrophobicContact CD2-CD1 4Å; W455-L481 HydrophobicContact CD2-CD2 3.65Å; W455-L481 HydrophobicContact CD2-CG 4.42Å; W455-L481 HydrophobicContact CE3-CD1 4.41Å; W455-L481 HydrophobicContact CE3-CD2 3.57Å; W455-L481 HydrophobicContact CG-CD1 3.87Å; W455-L481 HydrophobicContact CG-CD2 4.41Å; W455-L481 HydrophobicContact CH2-CD2 3.81Å; W455-L481 HydrophobicContact CZ2-CD2 3.85Å; W455-L481 HydrophobicContact CZ3-CD2 3.66Å; W455-R491 VanDerWaalsContact CA-O 3.3Å; W455-R491 WeakPolarHBondContact CA-O 3.47Å; W455-I492 HydrophobicContact CB-CG1 3.88Å
456	V	86.6	Confident	68.4	Low	35 Å²	35	72.5 Å²	72.5	21%	0.212	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.6	-179.5	67.3	0	0	0	0	110.8	M458 V467 Y490 R491	V456-M458 HydrophobicContact CG1-SD 4.46Å; V456-V467 HydrophobicContact CB-CG2 4.24Å; V456-V467 HydrophobicContact CG2-CG2 4.22Å; V456-Y490 CarbonylContact O-C 3.04Å; V456-Y490 VanDerWaalsContact O-CA 3.27Å; V456-Y490 WeakPolarHBondContact O-CA 3.23Å; V456-R491 HydrophobicContact CG1-CB 4.22Å; V456-R491 PolarHBondContact N-O 3.11Å; V456-R491 PolarHBondContact O-N 3.09Å
457	K	83.3	Confident	68.3	Low	79 Å²	79	73.9 Å²	73.9	34%	0.343	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.1	177.2	-168.7	-170.8	-178.2	-172.9	0	110.2	E485 S488 Y490	K457-E485 WeakPolarHBondContact CD-OE1 3.36Å; K457-E485 WeakPolarHBondContact CE-OE1 3.35Å; K457-E485 IonicContact NZ-OE1 2.79Å; K457-E485 PolarHBondContact NZ-OE1 3.42Å; K457-E485 IonicContact NZ-OE2 3.55Å; K457-E485 PolarHBondContact NZ-OE2 2.87Å; K457-S488 WeakPolarHBondContact CE-OG 3.35Å; K457-Y490 HydrophobicContact CB-CD1 4.06Å; K457-Y490 HydrophobicContact CB-CE1 3.64Å; K457-Y490 HydrophobicContact CG-CE1 4.06Å
458	M	73.5	Confident	68.6	Low	80 Å²	80	71.7 Å²	71.7	39%	0.394	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	100.9	-179.9	-59.7	-66.2	-77.2	0	0	109.9	V456 T489 R491	V456-M458 HydrophobicContact CG1-SD 4.46Å; M458-T489 HydrophobicContact CB-CG2 4.27Å; M458-T489 HydrophobicContact CG-CG2 4.34Å; M458-T489 PolarHBondContact N-O 3Å; M458-R491 HydrophobicContact CG-CB 4.03Å; M458-R491 HydrophobicContact SD-CB 3.88Å
459	G	60	Low	69	Low	50 Å²	50	75.5 Å²	75.5	52%	0.515	43%	0.433	S	S	.	.	S	Bend	trans	154.2	131.1	174	0	0	0	0	0	113.3
460	H	41.2	Very low	69.2	Low	194 Å²	194	74.6 Å²	74.6	90%	0.898	42%	0.423	S	S	*	.	S	Bend	trans	66.4	108.3	-168.1	-58.8	-89	0	0	0	114.9
461	S	41.2	Very low	69.3	Low	86 Å²	86	78.2 Å²	78.2	60%	0.601	44%	0.44	S	S	*	.			trans	60.7	128.4	174.7	-162.6	0	0	0	0	116.4	V463	S461-V463 PolarHBondContact O-N 2.81Å; S461-V463 PolarHBondContact OG-N 3.43Å; S461-V463 VanDerWaalsContact OG-N 3.16Å; S461-V463 PolarHBondContact OG-O 3.36Å
462	L	44.5	Very low	69.2	Low	182 Å²	182	78.7 Å²	78.7	95%	0.953	44%	0.443	S	S	*	.	S	Bend	trans	-81	20.2	166.2	-73.5	167.4	0	0	0	112.3
463	V	41.2	Very low	68.9	Low	120 Å²	120	80.5 Å²	80.5	73%	0.727	46%	0.459	S	S	*	.	S	Bend	trans	-128.7	117	176.4	-175.1	0	0	0	0	108.2	S461	S461-V463 PolarHBondContact O-N 2.81Å; S461-V463 PolarHBondContact OG-N 3.43Å; S461-V463 VanDerWaalsContact OG-N 3.16Å; S461-V463 PolarHBondContact OG-O 3.36Å
464	G	39.3	Very low	68.5	Low	72 Å²	72	81.2 Å²	81.2	74%	0.742	47%	0.467	S	S	*	.			trans	98.7	4.3	168.7	0	0	0	0	0	117.7	I466	G464-I466 PolarHBondContact O-N 2.9Å; G464-I466 VanDerWaalsContact O-N 3.12Å
465	G	46.9	Very low	68	Low	46 Å²	46	88.1 Å²	88.1	47%	0.474	50%	0.497	S	S	.	.			trans	-64.3	109.7	169.2	0	0	0	0	0	111	V467	G465-V467 PolarHBondContact O-N 2.9Å
466	I	58.8	Low	67.6	Low	137 Å²	137	90 Å²	90	70%	0.703	51%	0.506	S	S	*	.			trans	-67.5	100.8	-177.9	-51.4	176.5	0	0	0	109.3	G464 Q468	G464-I466 PolarHBondContact O-N 2.9Å; G464-I466 VanDerWaalsContact O-N 3.12Å; I466-Q468 PolarHBondContact O-N 2.97Å; I466-Q468 VanDerWaalsContact O-N 3.15Å
467	V	69.7	Low	67.4	Low	80 Å²	80	94.4 Å²	94.4	49%	0.485	52%	0.522	S	S	.	.			trans	-61.8	115.1	172.7	-178	0	0	0	0	108.3	T454 V456 G465	T454-V467 HydrophobicContact CG2-CG1 4.46Å; V456-V467 HydrophobicContact CB-CG2 4.24Å; V456-V467 HydrophobicContact CG2-CG2 4.22Å; G465-V467 PolarHBondContact O-N 2.9Å
468	Q	79.3	Confident	67.4	Low	93 Å²	93	95.1 Å²	95.1	44%	0.435	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.5	170.9	-63.8	-60.5	-58.5	0	0	108.7	T454 W455 I466	T454-Q468 CarbonylContact C-O 3.21Å; T454-Q468 WeakPolarHBondContact CA-O 3.21Å; W455-Q468 HydrophobicContact CD2-CB 3.76Å; W455-Q468 HydrophobicContact CE3-CB 4.25Å; W455-Q468 HydrophobicContact CG-CB 4.26Å; W455-Q468 HydrophobicContact CH2-CB 4Å; W455-Q468 HydrophobicContact CZ2-CB 3.5Å; W455-Q468 HydrophobicContact CZ2-CG 4.24Å; W455-Q468 HydrophobicContact CZ3-CB 4.35Å; W455-Q468 PolarHBondContact N-O 3.07Å; W455-Q468 PolarHBondContact O-N 2.93Å; I466-Q468 PolarHBondContact O-N 2.97Å; I466-Q468 VanDerWaalsContact O-N 3.15Å
469	E	84.9	Confident	68.1	Low	103 Å²	103	91.5 Å²	91.5	48%	0.481	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.8	176.6	65.2	173	-104.6	0	0	112.4	K452 L453 T454	K452-E469 VanDerWaalsContact CE-OE1 3.22Å; K452-E469 WeakPolarHBondContact CE-OE1 3.48Å; K452-E469 WeakPolarHBondContact CE-OE2 3.39Å; K452-E469 IonicContact NZ-OE1 2.69Å; K452-E469 PolarHBondContact NZ-OE1 3Å; K452-E469 IonicContact NZ-OE2 3.67Å; K452-E469 PolarHBondContact NZ-OE2 3.03Å; L453-E469 WeakPolarHBondContact O-CA 3.5Å; T454-E469 HydrophobicContact CG2-CB 3.84Å
470	R	82.8	Confident	69.2	Low	106 Å²	106	91.3 Å²	91.3	40%	0.4	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.8	172.6	-167.4	165.4	179.3	-156.8	-7.8	109.4	L453 W455 L479 E658	L453-R470 PolarHBondContact N-O 3.42Å; L453-R470 PolarHBondContact O-N 2.78Å; W455-R470 HydrophobicContact CH2-CB 4.23Å; W455-R470 HydrophobicContact CZ3-CB 4.11Å; R470-L479 HydrophobicContact CB-CD2 4.01Å; R470-L479 HydrophobicContact CG-CD2 4.19Å; R470-E658 IonicContact CZ-OE1 3.76Å; R470-E658 VanDerWaalsContact CZ-OE1 3.3Å; R470-E658 IonicContact NH1-OE1 3.92Å; R470-E658 PolarHBondContact NH1-OE1 3.19Å; R470-E658 IonicContact NH2-OE1 3.51Å; R470-E658 PolarHBondContact NH2-OE1 3.29Å
471	I	84.6	Confident	71.3	Confident	87 Å²	87	82.1 Å²	82.1	45%	0.446	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.1	173.9	-55.9	179.2	0	0	0	108.6	A450 Y451 K452 L497	A450-I471 HydrophobicContact CB-CG2 4.05Å; Y451-I471 CarbonylContact O-C 3.11Å; Y451-I471 VanDerWaalsContact O-CA 3.3Å; Y451-I471 WeakPolarHBondContact O-CA 3.34Å; K452-I471 HydrophobicContact CB-CG1 4.14Å; K452-I471 HydrophobicContact CD-CD1 4.47Å; K452-I471 HydrophobicContact CD-CG1 4.34Å; K452-I471 HydrophobicContact CG-CG1 4.19Å; I471-L497 HydrophobicContact CD1-CD1 4.31Å; I471-L497 HydrophobicContact CG2-CD1 4.24Å
472	V	84.4	Confident	73.3	Confident	14 Å²	14	81.6 Å²	81.6	9%	0.085	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153	178.1	-61.9	0	0	0	0	110.8	W442 A450 Y451 K476 L479	W442-V472 HydrophobicContact CH2-CG2 4.03Å; W442-V472 HydrophobicContact CZ2-CG2 3.75Å; A450-V472 CarbonylContact C-O 3.59Å; A450-V472 VanDerWaalsContact CA-O 3.25Å; A450-V472 WeakPolarHBondContact CA-O 3.33Å; A450-V472 WeakPolarHBondContact CB-O 3.48Å; Y451-V472 PolarHBondContact N-O 3.17Å; Y451-V472 PolarHBondContact O-N 3.12Å; V472-K476 HydrophobicContact CB-CB 4.17Å; V472-K476 HydrophobicContact CB-CD 4.29Å; V472-K476 HydrophobicContact CG1-CD 4.32Å; V472-K476 HydrophobicContact CG2-CB 4.13Å; V472-L479 HydrophobicContact CG1-CD2 4.42Å
473	S	79.8	Confident	74.8	Confident	64 Å²	64	80.2 Å²	80.2	45%	0.448	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	146.2	172.3	174	0	0	0	0	111.2	E475 K476	S473-E475 PolarHBondContact O-N 3.43Å; S473-E475 PolarHBondContact OG-N 2.77Å; S473-K476 PolarHBondContact O-N 2.92Å
474	G	79.9	Confident	76.7	Confident	15 Å²	15	74.9 Å²	74.9	16%	0.155	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.4	176.4	0	0	0	0	0	114.8	V448 M449 Y451	V448-G474 WeakPolarHBondContact O-CA 3.46Å; M449-G474 PolarHBondContact O-N 2.79Å; Y451-G474 WeakPolarHBondContact CE2-O 3.01Å
475	E	77.6	Confident	78.6	Confident	173 Å²	173	76.2 Å²	76.2	81%	0.808	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.8	171.4	-62	-179.3	158.6	0	0	113.2	S473 K477	S473-E475 PolarHBondContact O-N 3.43Å; S473-E475 PolarHBondContact OG-N 2.77Å; E475-K477 PolarHBondContact O-N 3.27Å
476	K	80.5	Confident	80.3	Confident	73 Å²	73	76.3 Å²	76.3	32%	0.317	39%	0.39	S	S	.	.			trans	-73	126.3	174	-80.8	-154.8	173.1	-165.3	0	109.3	W442 V472 S473 E658	W442-K476 WeakPolarHBondContact CZ2-O 3.26Å; W442-K476 PolarHBondContact NE1-O 3Å; V472-K476 HydrophobicContact CB-CB 4.17Å; V472-K476 HydrophobicContact CB-CD 4.29Å; V472-K476 HydrophobicContact CG1-CD 4.32Å; V472-K476 HydrophobicContact CG2-CB 4.13Å; S473-K476 PolarHBondContact O-N 2.92Å; K476-E658 IonicContact NZ-OE1 3.17Å; K476-E658 IonicContact NZ-OE2 2.73Å; K476-E658 PolarHBondContact NZ-OE2 3.26Å
477	K	82	Confident	81.3	Confident	129 Å²	129	77.6 Å²	77.6	56%	0.561	39%	0.391	S	S	*	.			trans	-108.2	5.6	178	-62.5	-173.6	-179.1	-175	0	113.6	N441 W442 E475	N441-K477 WeakPolarHBondContact CA-O 3.45Å; W442-K477 PolarHBondContact N-O 3.07Å; E475-K477 PolarHBondContact O-N 3.27Å
478	H	84.3	Confident	81.9	Confident	93 Å²	93	74.7 Å²	74.7	43%	0.431	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	159.5	177.6	67	-93.5	0	0	0	112.3	V440 N441 W442	V440-H478 CarbonylContact O-C 3.56Å; V440-H478 WeakPolarHBondContact O-CA 3.32Å; N441-H478 WeakPolarHBondContact OD1-CB 3.26Å; W442-H478 VanDerWaalsContact CH2-C 3.45Å; W442-H478 VanDerWaalsContact CZ3-C 3.48Å
479	L	86.9	Confident	82	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	132.7	172.6	-178.1	58.7	0	0	0	110.3	V440 W442 L453 R470 V472	V440-L479 PolarHBondContact N-O 2.73Å; V440-L479 PolarHBondContact O-N 3.18Å; W442-L479 HydrophobicContact CH2-CB 3.8Å; W442-L479 HydrophobicContact CZ3-CB 3.84Å; L453-L479 HydrophobicContact CB-CD2 4.33Å; L453-L479 HydrophobicContact CD2-CB 4.33Å; L453-L479 HydrophobicContact CD2-CD2 3.83Å; L453-L479 HydrophobicContact CD2-CG 4.42Å; R470-L479 HydrophobicContact CB-CD2 4.01Å; R470-L479 HydrophobicContact CG-CD2 4.19Å; V472-L479 HydrophobicContact CG1-CD2 4.42Å
480	S	83.5	Confident	82	Confident	46 Å²	46	68.1 Å²	68.1	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.9	173.8	-59.6	0	0	0	0	110.7
481	L	85.4	Confident	82.2	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.5	171.1	-55.8	-174.8	0	0	0	108.5	C437 I438 V440 L453 W455 L484 I492	C437-L481 CarbonylContact C-O 3.47Å; C437-L481 VanDerWaalsContact CA-O 3.26Å; C437-L481 WeakPolarHBondContact CA-O 3.47Å; I438-L481 PolarHBondContact N-O 3.04Å; I438-L481 PolarHBondContact O-N 2.82Å; V440-L481 HydrophobicContact CG2-CD1 3.89Å; V440-L481 HydrophobicContact CG2-CG 4.05Å; L453-L481 HydrophobicContact CD2-CD2 3.97Å; W455-L481 HydrophobicContact CB-CD1 4.14Å; W455-L481 HydrophobicContact CD2-CD1 4Å; W455-L481 HydrophobicContact CD2-CD2 3.65Å; W455-L481 HydrophobicContact CD2-CG 4.42Å; W455-L481 HydrophobicContact CE3-CD1 4.41Å; W455-L481 HydrophobicContact CE3-CD2 3.57Å; W455-L481 HydrophobicContact CG-CD1 3.87Å; W455-L481 HydrophobicContact CG-CD2 4.41Å; W455-L481 HydrophobicContact CH2-CD2 3.81Å; W455-L481 HydrophobicContact CZ2-CD2 3.85Å; W455-L481 HydrophobicContact CZ3-CD2 3.66Å; L481-L484 HydrophobicContact CB-CD1 3.96Å; L481-L484 HydrophobicContact CB-CD2 4.43Å; L481-L484 HydrophobicContact CB-CG 4.38Å; L481-I492 HydrophobicContact CD1-CD1 3.77Å; L481-I492 HydrophobicContact CD1-CG1 4.05Å
482	V	82.4	Confident	82.4	Confident	75 Å²	75	63.9 Å²	63.9	46%	0.455	32%	0.324	S	S	.	.			trans	-117.9	166.4	-177.2	-63.3	0	0	0	0	111.1	L484	V482-L484 PolarHBondContact O-N 3.26Å
483	N	76.3	Confident	82.5	Confident	153 Å²	153	64.2 Å²	64.2	82%	0.818	33%	0.327	S	S	*	.	S	Bend	trans	58.4	31	-178.9	-55.3	-23	0	0	0	113.7	T436	T436-N483 PolarHBondContact O-N 3.23Å
484	L	82.2	Confident	82.9	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.037	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76	146.3	172.3	-57.2	177.6	0	0	0	110	T436 I438 L481 V482 Y490 T516	T436-L484 WeakPolarHBondContact CA-O 3.37Å; T436-L484 WeakPolarHBondContact CB-O 3.43Å; T436-L484 WeakPolarHBondContact CG2-O 3.27Å; T436-L484 WeakPolarHBondContact O-CB 3.32Å; T436-L484 PolarHBondContact O-N 3.02Å; I438-L484 HydrophobicContact CB-CD1 3.89Å; I438-L484 HydrophobicContact CD1-CD1 3.7Å; I438-L484 HydrophobicContact CG1-CD1 3.71Å; L481-L484 HydrophobicContact CB-CD1 3.96Å; L481-L484 HydrophobicContact CB-CD2 4.43Å; L481-L484 HydrophobicContact CB-CG 4.38Å; V482-L484 PolarHBondContact O-N 3.26Å; L484-Y490 HydrophobicContact CB-CE2 3.92Å; L484-Y490 HydrophobicContact CD2-CD1 4.17Å; L484-Y490 HydrophobicContact CD2-CD2 4.48Å; L484-Y490 HydrophobicContact CD2-CE1 3.85Å; L484-Y490 HydrophobicContact CD2-CE2 4.19Å; L484-Y490 HydrophobicContact CD2-CG 4.48Å; L484-Y490 HydrophobicContact CG-CE2 4.47Å; L484-T516 HydrophobicContact CB-CG2 3.89Å; L484-T516 HydrophobicContact CD1-CG2 4.16Å
485	E	79.1	Confident	83.2	Confident	100 Å²	100	61.2 Å²	61.2	47%	0.467	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-72.2	136	174.6	-71.6	178.4	-110.7	0	0	110.5	K457 S488 Y490 T516	K457-E485 WeakPolarHBondContact CD-OE1 3.36Å; K457-E485 WeakPolarHBondContact CE-OE1 3.35Å; K457-E485 IonicContact NZ-OE1 2.79Å; K457-E485 PolarHBondContact NZ-OE1 3.42Å; K457-E485 IonicContact NZ-OE2 3.55Å; K457-E485 PolarHBondContact NZ-OE2 2.87Å; E485-S488 WeakPolarHBondContact O-CB 3.47Å; E485-Y490 PolarHBondContact N-OH 3.22Å; E485-T516 WeakPolarHBondContact O-CB 3.32Å; E485-T516 PolarHBondContact O-OG1 3.33Å
486	P	81.4	Confident	83.4	Confident	48 Å²	48	53.1 Å²	53.1	31%	0.312	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	157.3	172.6	-25.5	35.6	0	0	0	113	D435 T436 S488 T516	D435-P486 HydrophobicContact CB-CB 4.4Å; D435-P486 HydrophobicContact CB-CG 4.43Å; D435-P486 WeakPolarHBondContact O-CA 3.39Å; T436-P486 HydrophobicContact CG2-CG 3.92Å; P486-S488 PolarHBondContact O-N 3.04Å; P486-S488 PolarHBondContact O-OG 3.43Å; P486-S488 VanDerWaalsContact O-OG 3.1Å; P486-T516 WeakPolarHBondContact CA-OG1 3.36Å
487	K	80.9	Confident	83.3	Confident	164 Å²	164	50 Å²	50	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	20.2	174.8	-130.1	177.6	-174.7	-178.6	0	115.3	T516 K517 A518	K487-T516 WeakPolarHBondContact CA-O 3.44Å; K487-T516 PolarHBondContact N-O 3.02Å; K487-T516 PolarHBondContact N-OG1 2.02Å; K487-K517 PolarHBondContact N-O 2.72Å; K487-K517 VanDerWaalsContact N-O 3.07Å; K487-A518 HydrophobicContact CD-CB 4.18Å; K487-A518 HydrophobicContact CG-CB 4.15Å
488	S	81.1	Confident	82.7	Confident	19 Å²	19	46 Å²	46	13%	0.133	24%	0.237	C	C	.	.			trans	-115.9	137	-172.7	-63.9	0	0	0	0	111.2	K457 E485 P486 T515 T516	K457-S488 WeakPolarHBondContact CE-OG 3.35Å; E485-S488 WeakPolarHBondContact O-CB 3.47Å; P486-S488 PolarHBondContact O-N 3.04Å; P486-S488 PolarHBondContact O-OG 3.43Å; P486-S488 VanDerWaalsContact O-OG 3.1Å; S488-T515 WeakPolarHBondContact O-CA 3.19Å; S488-T516 PolarHBondContact N-OG1 2.96Å; S488-T516 PolarHBondContact O-N 3.14Å; S488-T516 PolarHBondContact O-OG1 2.83Å; S488-T516 VanDerWaalsContact O-OG1 3.11Å
489	T	82.5	Confident	81.4	Confident	42 Å²	42	45.1 Å²	45.1	26%	0.258	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.1	175.3	-58.5	0	0	0	0	110.3	M458 E513 T515	M458-T489 HydrophobicContact CB-CG2 4.27Å; M458-T489 HydrophobicContact CG-CG2 4.34Å; M458-T489 PolarHBondContact N-O 3Å; T489-E513 HydrophobicContact CG2-CB 4.42Å; T489-T515 PolarHBondContact OG1-OG1 3.47Å
490	Y	84.6	Confident	80	Confident	16 Å²	16	54.1 Å²	54.1	6%	0.063	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.5	172.8	-70.6	-92.7	0	0	0	109.9	V456 K457 L484 E485 E513 A514 T516	V456-Y490 CarbonylContact O-C 3.04Å; V456-Y490 VanDerWaalsContact O-CA 3.27Å; V456-Y490 WeakPolarHBondContact O-CA 3.23Å; K457-Y490 HydrophobicContact CB-CD1 4.06Å; K457-Y490 HydrophobicContact CB-CE1 3.64Å; K457-Y490 HydrophobicContact CG-CE1 4.06Å; L484-Y490 HydrophobicContact CB-CE2 3.92Å; L484-Y490 HydrophobicContact CD2-CD1 4.17Å; L484-Y490 HydrophobicContact CD2-CD2 4.48Å; L484-Y490 HydrophobicContact CD2-CE1 3.85Å; L484-Y490 HydrophobicContact CD2-CE2 4.19Å; L484-Y490 HydrophobicContact CD2-CG 4.48Å; L484-Y490 HydrophobicContact CG-CE2 4.47Å; E485-Y490 PolarHBondContact N-OH 3.22Å; Y490-E513 WeakPolarHBondContact O-CA 3.38Å; Y490-A514 PolarHBondContact N-O 3.49Å; Y490-A514 PolarHBondContact O-N 3.06Å; Y490-T516 HydrophobicContact CD2-CG2 4.26Å; Y490-T516 HydrophobicContact CE2-CG2 4.15Å
491	R	87.4	Confident	78.8	Confident	105 Å²	105	56.8 Å²	56.8	40%	0.396	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	120.9	167.4	-175.9	173.3	178.4	120.2	-10.1	108	W455 V456 M458 E513	W455-R491 VanDerWaalsContact CA-O 3.3Å; W455-R491 WeakPolarHBondContact CA-O 3.47Å; V456-R491 HydrophobicContact CG1-CB 4.22Å; V456-R491 PolarHBondContact N-O 3.11Å; V456-R491 PolarHBondContact O-N 3.09Å; M458-R491 HydrophobicContact CG-CB 4.03Å; M458-R491 HydrophobicContact SD-CB 3.88Å; R491-E513 HydrophobicContact CB-CG 4.08Å; R491-E513 HydrophobicContact CG-CG 3.99Å; R491-E513 IonicContact CZ-OE1 2.97Å; R491-E513 IonicContact NH1-OE1 3.82Å; R491-E513 PolarHBondContact NH1-OE1 2.72Å
492	I	88.3	Confident	77.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.4	-174	-61.4	165.1	0	0	0	107.4	I430 I438 V440 L453 T454 W455 L481 C511 S512 A514	I430-I492 HydrophobicContact CD1-CD1 4.17Å; I438-I492 HydrophobicContact CG2-CD1 4.45Å; V440-I492 HydrophobicContact CG1-CG2 4.32Å; V440-I492 HydrophobicContact CG2-CD1 4.13Å; V440-I492 HydrophobicContact CG2-CG2 4.21Å; L453-I492 HydrophobicContact CD1-CG2 3.83Å; L453-I492 HydrophobicContact CD2-CG2 4.38Å; L453-I492 HydrophobicContact CG-CG2 4.23Å; T454-I492 CarbonylContact O-C 3.48Å; T454-I492 WeakPolarHBondContact O-CA 3.16Å; W455-I492 HydrophobicContact CB-CG1 3.88Å; L481-I492 HydrophobicContact CD1-CD1 3.77Å; L481-I492 HydrophobicContact CD1-CG1 4.05Å; I492-C511 CarbonylContact O-C 3.01Å; I492-C511 VanDerWaalsContact O-CA 3.27Å; I492-C511 WeakPolarHBondContact O-CA 3.49Å; I492-S512 PolarHBondContact N-O 2.81Å; I492-S512 PolarHBondContact O-N 3.17Å; I492-S512 VanDerWaalsContact O-O 3.13Å; I492-A514 HydrophobicContact CD1-CB 4.04Å
493	C	87.2	Confident	76.2	Confident	21 Å²	21	64.1 Å²	64.1	14%	0.142	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.7	-178.4	-61.9	0	0	0	0	111.3	L453 T454 V510 C511	L453-C493 CarbonylContact C-O 3.51Å; L453-C493 WeakPolarHBondContact CA-O 3.46Å; T454-C493 PolarHBondContact N-O 2.84Å; T454-C493 PolarHBondContact O-N 3.5Å; C493-V510 WeakPolarHBondContact CA-O 3.3Å; C493-C511 HydrophobicContact CB-CB 4.12Å; C493-C511 WeakPolarHBondContact CB-SG 3.23Å; C493-C511 WeakPolarHBondContact SG-CB 3.3Å; C493-C511 CovalentContact SG-SG 2.04Å; C493-C511 PolarHBondContact SG-SG 2.83Å
494	L	86.9	Confident	75.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.9	178.8	-178.4	66.5	0	0	0	109.9	I426 L428 W442 Y451 L453 V510	I426-L494 HydrophobicContact CG2-CD2 3.76Å; L428-L494 HydrophobicContact CD1-CB 4.25Å; L428-L494 HydrophobicContact CD1-CD2 3.98Å; W442-L494 HydrophobicContact CB-CD2 3.45Å; W442-L494 VanDerWaalsContact CB-CD2 3.45Å; W442-L494 HydrophobicContact CD2-CD1 4.21Å; W442-L494 HydrophobicContact CD2-CD2 3.78Å; W442-L494 HydrophobicContact CE3-CD1 4.46Å; W442-L494 HydrophobicContact CE3-CD2 4.33Å; W442-L494 HydrophobicContact CG-CD2 3.37Å; Y451-L494 HydrophobicContact CD1-CD1 3.92Å; Y451-L494 HydrophobicContact CD1-CD2 4.43Å; Y451-L494 HydrophobicContact CD1-CG 4.22Å; Y451-L494 HydrophobicContact CG-CD1 4.13Å; L453-L494 HydrophobicContact CB-CD1 4.41Å; L453-L494 HydrophobicContact CD1-CB 3.93Å; L453-L494 HydrophobicContact CD1-CD1 3.86Å; L453-L494 HydrophobicContact CD1-CG 4.47Å; L494-V510 PolarHBondContact N-O 2.77Å; L494-V510 PolarHBondContact O-N 3.31Å
495	V	86.3	Confident	73.3	Confident	15 Å²	15	70 Å²	70	9%	0.091	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.2	-179.2	-176.5	0	0	0	0	109.4	Y451 K452 L497 Y503 T509	Y451-V495 WeakPolarHBondContact CA-O 3.27Å; K452-V495 HydrophobicContact CB-CB 4.44Å; K452-V495 PolarHBondContact N-O 3.14Å; K452-V495 PolarHBondContact O-N 3.07Å; V495-L497 HydrophobicContact CG1-CD2 4.39Å; V495-Y503 HydrophobicContact CG1-CD1 3.88Å; V495-Y503 HydrophobicContact CG1-CE1 4.06Å; V495-T509 HydrophobicContact CG1-CG2 4.16Å; V495-T509 HydrophobicContact CG2-CG2 3.93Å
496	P	83.1	Confident	72	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.019	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.8	168.9	33.5	-34.1	0	0	0	110.5	I426 F446 V448 Y451 D508	I426-P496 HydrophobicContact CD1-CB 4.14Å; I426-P496 HydrophobicContact CD1-CG 3.8Å; F446-P496 HydrophobicContact CE2-CB 4.41Å; F446-P496 HydrophobicContact CE2-CG 4.49Å; V448-P496 HydrophobicContact CG1-CB 3.72Å; V448-P496 HydrophobicContact CG2-CB 3.93Å; Y451-P496 HydrophobicContact CD1-CB 4.33Å; Y451-P496 HydrophobicContact CE1-CB 4.26Å; P496-D508 HydrophobicContact CG-CB 3.58Å
497	L	77.4	Confident	70.7	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.037	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.5	176.6	-58.9	180	0	0	0	110.7	A450 K452 I471 V495	A450-L497 HydrophobicContact CB-CB 4.32Å; A450-L497 HydrophobicContact CB-CD1 4.38Å; A450-L497 WeakPolarHBondContact O-CB 3.39Å; A450-L497 PolarHBondContact O-N 3.21Å; K452-L497 HydrophobicContact CB-CD1 4.15Å; K452-L497 HydrophobicContact CB-CG 4.36Å; I471-L497 HydrophobicContact CD1-CD1 4.31Å; I471-L497 HydrophobicContact CG2-CD1 4.24Å; V495-L497 HydrophobicContact CG1-CD2 4.39Å
498	D	68.9	Low	69.9	Low	47 Å²	47	68.9 Å²	68.9	25%	0.251	36%	0.356	S	S	.	.			trans	-81.8	-177.8	174.1	80.8	-2.4	0	0	0	112.7	Y500 N501 N502	D498-Y500 PolarHBondContact O-N 2.9Å; D498-Y500 WeakPolarHBondContact OD1-CA 3.21Å; D498-Y500 PolarHBondContact OD1-N 2.79Å; D498-N501 PolarHBondContact O-N 3.12Å; D498-N501 VanDerWaalsContact O-N 3.12Å; D498-N501 PolarHBondContact OD1-N 3.49Å; D498-N502 PolarHBondContact N-O 3.18Å; D498-N502 PolarHBondContact OD1-N 2.88Å
499	A	58.1	Low	69.7	Low	74 Å²	74	71.7 Å²	71.7	61%	0.612	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-5.8	-179.8	0	0	0	0	0	114.8	M449	M449-A499 HydrophobicContact CG-CB 4.21Å
500	Y	56.6	Low	69.7	Low	192 Å²	192	71.3 Å²	71.3	75%	0.753	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	10.6	177.8	-61.7	-76.6	0	0	0	112.3	D498 N502	D498-Y500 PolarHBondContact O-N 2.9Å; D498-Y500 WeakPolarHBondContact OD1-CA 3.21Å; D498-Y500 PolarHBondContact OD1-N 2.79Å; Y500-N502 VanDerWaalsContact CB-ND2 3.35Å; Y500-N502 WeakPolarHBondContact CB-ND2 3.29Å; Y500-N502 PolarHBondContact O-N 3.09Å
501	N	58.5	Low	69.7	Low	102 Å²	102	73.2 Å²	73.2	55%	0.545	39%	0.386	S	S	.	.			trans	58.3	20.3	-170.8	-67.1	-39.3	0	0	0	114.5	D498	D498-N501 PolarHBondContact O-N 3.12Å; D498-N501 VanDerWaalsContact O-N 3.12Å; D498-N501 PolarHBondContact OD1-N 3.49Å
502	N	56.8	Low	69.5	Low	91 Å²	91	70.5 Å²	70.5	49%	0.487	38%	0.382	S	S	.	.			trans	-77.8	148.1	175.8	-67.1	-51.1	0	0	0	111	D498 Y500 R504	D498-N502 PolarHBondContact N-O 3.18Å; D498-N502 PolarHBondContact OD1-N 2.88Å; Y500-N502 VanDerWaalsContact CB-ND2 3.35Å; Y500-N502 WeakPolarHBondContact CB-ND2 3.29Å; Y500-N502 PolarHBondContact O-N 3.09Å; N502-R504 PolarHBondContact O-N 3.4Å
503	Y	56.8	Low	69.5	Low	141 Å²	141	75.4 Å²	75.4	55%	0.553	41%	0.405	S	S	*	.	B	Isolated β-bridge	trans	-69.9	125.7	168.5	-71.9	-97	0	0	0	109.7	K452 V495 T505	K452-Y503 PolarHBondContact NZ-OH 3.48Å; V495-Y503 HydrophobicContact CG1-CD1 3.88Å; V495-Y503 HydrophobicContact CG1-CE1 4.06Å; Y503-T505 PolarHBondContact O-N 3.08Å
504	R	55.1	Low	69.2	Low	140 Å²	140	74.5 Å²	74.5	53%	0.528	40%	0.399	S	S	.	.			trans	-69.8	110	162.4	-76.1	-175.3	168.1	-165.1	-2.6	109	N502 G506 D508	N502-R504 PolarHBondContact O-N 3.4Å; R504-G506 PolarHBondContact O-N 3.38Å; R504-D508 VanDerWaalsContact CD-OD2 3.32Å; R504-D508 WeakPolarHBondContact CD-OD2 3.37Å; R504-D508 IonicContact NH1-OD2 2.69Å
505	T	42.4	Very low	69	Low	142 Å²	142	77.9 Å²	77.9	87%	0.871	42%	0.42	S	S	*	.			trans	-70.5	122.8	175.3	47	0	0	0	0	110.5	Y503	Y503-T505 PolarHBondContact O-N 3.08Å
506	G	52.3	Low	68.7	Low	66 Å²	66	77.4 Å²	77.4	68%	0.68	42%	0.417	S	S	*	.	S	Bend	trans	146.3	-107	177.2	0	0	0	0	0	112.2	R504	R504-G506 PolarHBondContact O-N 3.38Å
507	E	53.6	Low	68.3	Low	191 Å²	191	82.3 Å²	82.3	89%	0.893	44%	0.438	S	S	*	.	S	Bend	trans	-127.3	-4.4	-152.9	-52.4	-171.6	139.8	0	0	114.2	T509	E507-T509 PolarHBondContact O-N 3.32Å
508	D	63.5	Low	67.8	Low	32 Å²	32	83.8 Å²	83.8	17%	0.171	45%	0.452	C	S	.	.			trans	-78.6	-11.1	-170.5	-85.1	-27.3	0	0	0	115.4	P496 R504 V510	P496-D508 HydrophobicContact CG-CB 3.58Å; R504-D508 VanDerWaalsContact CD-OD2 3.32Å; R504-D508 WeakPolarHBondContact CD-OD2 3.37Å; R504-D508 IonicContact NH1-OD2 2.69Å; D508-V510 PolarHBondContact O-N 3.32Å
509	T	77.5	Confident	67.1	Low	78 Å²	78	84.7 Å²	84.7	48%	0.479	46%	0.462	S	S	.	.			trans	-83.9	108.4	-172.3	62.8	0	0	0	0	112	V495 E507	V495-T509 HydrophobicContact CG1-CG2 4.16Å; V495-T509 HydrophobicContact CG2-CG2 3.93Å; E507-T509 PolarHBondContact O-N 3.32Å
510	V	81.9	Confident	66.6	Low	35 Å²	35	90.8 Å²	90.8	21%	0.212	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.8	-174.9	179.7	0	0	0	0	110.8	I426 L428 C493 L494 D508	I426-V510 HydrophobicContact CB-CG2 4.09Å; L428-V510 HydrophobicContact CB-CG1 3.84Å; L428-V510 HydrophobicContact CD2-CG1 4.25Å; C493-V510 WeakPolarHBondContact CA-O 3.3Å; L494-V510 PolarHBondContact N-O 2.77Å; L494-V510 PolarHBondContact O-N 3.31Å; D508-V510 PolarHBondContact O-N 3.32Å
511	C	85.8	Confident	65.9	Low	56 Å²	56	89.4 Å²	89.4	38%	0.378	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.1	175	-62	0	0	0	0	111.9	I492 C493	I492-C511 CarbonylContact O-C 3.01Å; I492-C511 VanDerWaalsContact O-CA 3.27Å; I492-C511 WeakPolarHBondContact O-CA 3.49Å; C493-C511 HydrophobicContact CB-CB 4.12Å; C493-C511 WeakPolarHBondContact CB-SG 3.23Å; C493-C511 WeakPolarHBondContact SG-CB 3.3Å; C493-C511 CovalentContact SG-SG 2.04Å; C493-C511 PolarHBondContact SG-SG 2.83Å
512	S	83.6	Confident	64.7	Low	47 Å²	47	92.3 Å²	92.3	33%	0.329	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.2	169.6	-174.8	0	0	0	0	110.2	I492	I492-S512 PolarHBondContact N-O 2.81Å; I492-S512 PolarHBondContact O-N 3.17Å; I492-S512 VanDerWaalsContact O-O 3.13Å
513	E	86.7	Confident	63.7	Low	103 Å²	103	95.1 Å²	95.1	48%	0.481	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.6	-177.9	-64.2	-173.9	179.2	0	0	110.1	T489 Y490 R491	T489-E513 HydrophobicContact CG2-CB 4.42Å; Y490-E513 WeakPolarHBondContact O-CA 3.38Å; R491-E513 HydrophobicContact CB-CG 4.08Å; R491-E513 HydrophobicContact CG-CG 3.99Å; R491-E513 IonicContact CZ-OE1 2.97Å; R491-E513 IonicContact NH1-OE1 3.82Å; R491-E513 PolarHBondContact NH1-OE1 2.72Å
514	A	81.8	Confident	62.4	Low	2 Å²	2	90.8 Å²	90.8	2%	0.017	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121	-172.3	0	0	0	0	0	110.8	I430 F432 I438 Y490 I492	I430-A514 HydrophobicContact CD1-CB 4.02Å; I430-A514 HydrophobicContact CG2-CB 4Å; F432-A514 HydrophobicContact CE1-CB 3.97Å; F432-A514 HydrophobicContact CZ-CB 3.89Å; I438-A514 HydrophobicContact CD1-CB 4.04Å; Y490-A514 PolarHBondContact N-O 3.49Å; Y490-A514 PolarHBondContact O-N 3.06Å; I492-A514 HydrophobicContact CD1-CB 4.04Å
515	T	81.8	Confident	61.4	Low	72 Å²	72	88.9 Å²	88.9	44%	0.442	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122	176.9	-49.2	0	0	0	0	110.3	F432 S488 T489	F432-T515 WeakPolarHBondContact CE1-O 3.39Å; S488-T515 WeakPolarHBondContact O-CA 3.19Å; T489-T515 PolarHBondContact OG1-OG1 3.47Å
516	T	81.4	Confident	60.9	Low	4 Å²	4	88.8 Å²	88.8	3%	0.025	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-61.4	145.8	174	49.1	0	0	0	0	110.9	D435 I438 L484 E485 P486 K487 S488 Y490	D435-T516 WeakPolarHBondContact O-CB 3.28Å; I438-T516 HydrophobicContact CD1-CG2 3.85Å; I438-T516 HydrophobicContact CG1-CG2 4.34Å; L484-T516 HydrophobicContact CB-CG2 3.89Å; L484-T516 HydrophobicContact CD1-CG2 4.16Å; E485-T516 WeakPolarHBondContact O-CB 3.32Å; E485-T516 PolarHBondContact O-OG1 3.33Å; P486-T516 WeakPolarHBondContact CA-OG1 3.36Å; K487-T516 WeakPolarHBondContact CA-O 3.44Å; K487-T516 PolarHBondContact N-O 3.02Å; K487-T516 PolarHBondContact N-OG1 2.02Å; S488-T516 PolarHBondContact N-OG1 2.96Å; S488-T516 PolarHBondContact O-N 3.14Å; S488-T516 PolarHBondContact O-OG1 2.83Å; S488-T516 VanDerWaalsContact O-OG1 3.11Å; Y490-T516 HydrophobicContact CD2-CG2 4.26Å; Y490-T516 HydrophobicContact CE2-CG2 4.15Å
517	K	74.4	Confident	59.8	Low	107 Å²	107	92.8 Å²	92.8	47%	0.465	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-64.2	159.1	178.5	-68.7	173.8	-178.2	165.3	0	110.4	F432 K487	F432-K517 HydrophobicContact CB-CD 4.5Å; K487-K517 PolarHBondContact N-O 2.72Å; K487-K517 VanDerWaalsContact N-O 3.07Å
518	A	65.8	Low	59	Low	38 Å²	38	89.5 Å²	89.5	31%	0.314	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-67.8	138	168.9	0	0	0	0	0	109.4	K487 Y520	K487-A518 HydrophobicContact CD-CB 4.18Å; K487-A518 HydrophobicContact CG-CB 4.15Å; A518-Y520 WeakPolarHBondContact O-CD2 3.47Å; A518-Y520 PolarHBondContact O-N 3.35Å
519	S	55.3	Low	57.1	Low	66 Å²	66	93.8 Å²	93.8	46%	0.462	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-66.8	121.1	173.1	-162.5	0	0	0	0	109.7	D435 L521	D435-S519 VanDerWaalsContact OD2-CA 3.28Å; D435-S519 WeakPolarHBondContact OD2-CA 3.46Å; D435-S519 WeakPolarHBondContact OD2-CB 3.18Å; D435-S519 PolarHBondContact OD2-OG 2.97Å; S519-L521 PolarHBondContact O-N 3.11Å
520	Y	48	Very low	54.7	Low	202 Å²	202	94.8 Å²	94.8	79%	0.792	55%	0.548	S	S	*	.			trans	-86	99.6	177.5	-73.3	-88.8	0	0	0	109.3	A518 N522	A518-Y520 WeakPolarHBondContact O-CD2 3.47Å; A518-Y520 PolarHBondContact O-N 3.35Å; Y520-N522 PolarHBondContact O-N 3.04Å
521	L	41.1	Very low	52.2	Low	162 Å²	162	101.3 Å²	101.3	85%	0.848	58%	0.576	S	S	*	*			trans	-59.1	111.5	157.9	-101.3	82.9	0	0	0	107.5	S519 N523	S519-L521 PolarHBondContact O-N 3.11Å; L521-N523 PolarHBondContact O-N 2.86Å
522	N	33.9	Very low	49.3	Very low	163 Å²	163	105.4 Å²	105.4	87%	0.872	59%	0.589	S	S	*	*			trans	-77.1	67.1	-177.4	-166.3	16.2	0	0	0	110.7	Y520 G524	Y520-N522 PolarHBondContact O-N 3.04Å; N522-G524 PolarHBondContact O-N 3.16Å
523	N	34.7	Very low	46.6	Very low	151 Å²	151	111.2 Å²	111.2	81%	0.807	61%	0.612	S	S	*	*			trans	-84.4	107.1	176.8	-160.8	35.2	0	0	0	108.8	L521	L521-N523 PolarHBondContact O-N 2.86Å
524	G	30.5	Very low	43.6	Very low	50 Å²	50	112.3 Å²	112.3	52%	0.515	63%	0.625	S	S	.	*			trans	-64.2	140.8	-175.4	0	0	0	0	0	113	N522	N522-G524 PolarHBondContact O-N 3.16Å
525	S	34.1	Very low	41.4	Very low	99 Å²	99	118.8 Å²	118.8	69%	0.692	67%	0.665	S	S	*	*			trans	22.9	117.9	140.1	57.7	0	0	0	0	116.7
526	N	30.9	Very low	38.7	Very low	141 Å²	141	120.9 Å²	120.9	75%	0.754	68%	0.682	S	S	*	*			cis	-175.6	157.9	45.9	-107.1	-21.7	0	0	0	113.6
527	I	29.8	Very low	36.4	Very low	149 Å²	149	129.4 Å²	129.4	76%	0.764	72%	0.722	S	S	*	*			trans	67.4	129.2	149.9	-64.4	162.5	0	0	0	117.7
528	P	36.3	Very low	34.1	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	74%	0.743	S	S	*	*			trans	-92.3	150.6	176.2	36.7	-34.2	0	0	0	113.3
529	S	24.2	Very low	32.6	Very low	122 Å²	122	138.9 Å²	138.9	85%	0.853	77%	0.772	S	S	*	*			trans	-146.7	148.7	156.7	58.9	0	0	0	0	111.3
530	S	26.8	Very low	31.4	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	79%	0.788	S	S	*	*			trans	-75.3	152.1	176.3	49.8	0	0	0	0	112.5
531	H	29.2	Very low	31	Very low	171 Å²	171	135.1 Å²	135.1	79%	0.792	79%	0.787	S	S	*	*				-161	170.6	124.4	-106.9	-59.8	0	0	0	112.5
532	E	25.2	Very low	30.9	Very low	142 Å²	142	132.8 Å²	132.8	66%	0.664	78%	0.782	S	S	*	*			trans	-92.6	157.1	-167.7	-55.5	116.4	112.3	0	0	115.1
533	Q	27	Very low	31.3	Very low	170 Å²	170	134.5 Å²	134.5	79%	0.794	78%	0.782	S	S	*	*			trans	63.6	159.6	134.5	-79.4	-179.5	22.9	0	0	122.8
534	T	23.6	Very low	31.8	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	78%	0.784	S	S	*	*			trans	73.9	113.4	157	39.8	0	0	0	0	120.3
535	T	35.3	Very low	32.4	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	80%	0.8	S	S	*	*			trans	-33.1	137.9	150.6	49.7	0	0	0	0	115.9
536	S	24.8	Very low	33	Very low	116 Å²	116	140 Å²	140	81%	0.811	80%	0.802	S	S	*	*			trans	-145.5	149.2	138.7	58	0	0	0	0	110.6
537	Q	33.4	Very low	33.9	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	80%	0.798	S	S	*	*			trans	-86.7	150.3	169.7	-63.5	171.3	-28.7	0	0	108.9
538	N	26.3	Very low	34.9	Very low	170 Å²	170	136.5 Å²	136.5	91%	0.909	80%	0.8	S	S	*	*			trans	-155.4	160.6	140.7	-120.5	-47.4	0	0	0	114.2
539	L	34.3	Very low	35.8	Very low	174 Å²	174	136.9 Å²	136.9	91%	0.911	79%	0.794	S	S	*	*			trans	-105.5	134.9	-166.7	-157.3	74.2	0	0	0	111.1
540	G	29.9	Very low	37.1	Very low	79 Å²	79	133 Å²	133	81%	0.814	77%	0.773	S	S	*	*			trans	-162.7	94	179.6	0	0	0	0	0	113
541	S	39.2	Very low	38.6	Very low	110 Å²	110	130.5 Å²	130.5	77%	0.769	76%	0.763	S	S	*	*			trans	-82.7	154.7	176.7	65.3	0	0	0	0	111.5
542	P	40.6	Very low	40	Very low	113 Å²	113	125.2 Å²	125.2	73%	0.734	75%	0.748	S	S	*	*				-149.3	102.3	81.7	35.2	-15	0	0	0	114.7
543	F	40.9	Very low	41.9	Very low	199 Å²	199	123 Å²	123	87%	0.873	74%	0.744	S	S	*	*			trans	-139.4	42.4	172.9	-105.7	-76.4	0	0	0	113.7
544	L	44.7	Very low	44	Very low	163 Å²	163	120.4 Å²	120.4	85%	0.853	74%	0.735	S	S	*	*			trans	-129.5	38.8	179.8	-73.9	178.4	0	0	0	114.5
545	L	43.7	Very low	46.5	Very low	163 Å²	163	121.8 Å²	121.8	85%	0.853	73%	0.731	S	S	*	*	S	Bend	trans	-117.2	-19.6	170.5	-110.1	80.8	0	0	0	115.4
546	A	46	Very low	48.5	Very low	88 Å²	88	119.5 Å²	119.5	73%	0.727	72%	0.716	S	S	*	*	S	Bend	trans	-82.6	-26.2	-174.1	0	0	0	0	0	114.7	L548	A546-L548 PolarHBondContact O-N 3.13Å
547	G	50.8	Low	50.9	Low	66 Å²	66	118.9 Å²	118.9	68%	0.68	70%	0.703	S	S	*	*	H	α-helix	trans	-73.2	-26.2	-168.1	0	0	0	0	0	116.1
548	L	51	Low	53.2	Low	151 Å²	151	114.1 Å²	114.1	79%	0.791	69%	0.687	S	S	*	*	H	α-helix	trans	-79	-25.1	-170	-80	164.1	0	0	0	114.4	A546	A546-L548 PolarHBondContact O-N 3.13Å
549	I	55.3	Low	55.8	Low	132 Å²	132	109.2 Å²	109.2	68%	0.677	66%	0.662	S	S	*	*	H	α-helix	trans	-82.9	-38.6	-177.3	-57.8	179.1	0	0	0	111
550	G	51.7	Low	58	Low	41 Å²	41	106.1 Å²	106.1	42%	0.423	65%	0.646	S	S	.	*	H	α-helix	trans	-65.2	-39.4	-179.8	0	0	0	0	0	114	A552 V553	G550-A552 PolarHBondContact O-N 3.22Å; G550-V553 PolarHBondContact O-N 2.84Å
551	G	58.3	Low	60.3	Low	45 Å²	45	107.3 Å²	107.3	46%	0.464	63%	0.633	S	S	.	*	H	α-helix	trans	-63.9	-36.4	-178.6	0	0	0	0	0	114	F555	G551-F555 PolarHBondContact O-N 3.1Å
552	A	58.2	Low	62.1	Low	60 Å²	60	105.3 Å²	105.3	50%	0.496	62%	0.619	S	S	.	*	H	α-helix	trans	-65.3	-41.1	-179	0	0	0	0	0	112.6	G550 F555 V556	G550-A552 PolarHBondContact O-N 3.22Å; A552-F555 PolarHBondContact O-N 3.44Å; A552-V556 WeakPolarHBondContact O-CG2 3.36Å; A552-V556 PolarHBondContact O-N 3.26Å
553	V	65.9	Low	63.8	Low	95 Å²	95	105 Å²	105	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-63.7	-44.6	-179.9	-179.8	0	0	0	0	111	G550 F555 V556 L557	G550-V553 PolarHBondContact O-N 2.84Å; V553-F555 VanDerWaalsContact C-N 3.35Å; V553-F555 PolarHBondContact O-N 2.8Å; V553-V556 PolarHBondContact O-N 3.01Å; V553-L557 PolarHBondContact O-N 2.92Å; V553-L557 VanDerWaalsContact O-N 3.16Å
554	I	69.9	Low	65.5	Low	116 Å²	116	101.8 Å²	101.8	60%	0.595	60%	0.596	S	S	*	*	H	α-helix	trans	-62	-43.2	179.3	-64.1	171.1	0	0	0	110.7	V556 L557 V558	I554-V556 PolarHBondContact O-N 3.47Å; I554-L557 PolarHBondContact O-N 3.01Å; I554-V558 WeakPolarHBondContact O-CG2 3.33Å; I554-V558 PolarHBondContact O-N 3.14Å
555	F	76	Confident	66.7	Low	155 Å²	155	97.6 Å²	97.6	68%	0.68	58%	0.58	S	S	*	*	H	α-helix	trans	-64	-41.9	-178.3	-155.6	-86.9	0	0	0	112.4	G551 A552 V553 L557 V558 V559	G551-F555 PolarHBondContact O-N 3.1Å; A552-F555 PolarHBondContact O-N 3.44Å; V553-F555 VanDerWaalsContact C-N 3.35Å; V553-F555 PolarHBondContact O-N 2.8Å; F555-L557 VanDerWaalsContact C-N 3.33Å; F555-L557 PolarHBondContact O-N 3.21Å; F555-V558 PolarHBondContact O-N 2.95Å; F555-V559 HydrophobicContact CD1-CG2 4.15Å; F555-V559 HydrophobicContact CE1-CG2 4.08Å; F555-V559 WeakPolarHBondContact O-CG2 3.26Å; F555-V559 PolarHBondContact O-N 3.08Å; F555-V559 VanDerWaalsContact O-N 3.12Å
556	V	77.6	Confident	68.3	Low	90 Å²	90	99.3 Å²	99.3	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-62.3	-40.9	175.2	173.2	0	0	0	0	111.4	A552 V553 I554 V559 L560	A552-V556 WeakPolarHBondContact O-CG2 3.36Å; A552-V556 PolarHBondContact O-N 3.26Å; V553-V556 PolarHBondContact O-N 3.01Å; I554-V556 PolarHBondContact O-N 3.47Å; V556-V559 PolarHBondContact O-N 3.4Å; V556-L560 HydrophobicContact CG1-CD1 4.08Å; V556-L560 WeakPolarHBondContact O-CG 2.83Å; V556-L560 PolarHBondContact O-N 3.08Å
557	L	75.6	Confident	69.4	Low	103 Å²	103	100 Å²	100	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-42.7	-180	-136.2	165.7	0	0	0	111.7	V553 I554 F555 L560 L561	V553-L557 PolarHBondContact O-N 2.92Å; V553-L557 VanDerWaalsContact O-N 3.16Å; I554-L557 PolarHBondContact O-N 3.01Å; F555-L557 VanDerWaalsContact C-N 3.33Å; F555-L557 PolarHBondContact O-N 3.21Å; L557-L560 PolarHBondContact O-N 2.73Å; L557-L561 HydrophobicContact CD2-CD1 4.39Å; L557-L561 PolarHBondContact O-N 3.09Å
558	V	81.4	Confident	69.9	Low	84 Å²	84	101.3 Å²	101.3	51%	0.509	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-38.5	175.6	172.7	0	0	0	0	112.2	I554 F555 S562	I554-V558 WeakPolarHBondContact O-CG2 3.33Å; I554-V558 PolarHBondContact O-N 3.14Å; F555-V558 PolarHBondContact O-N 2.95Å; V558-S562 WeakPolarHBondContact O-CB 3.48Å; V558-S562 PolarHBondContact O-N 3.01Å; V558-S562 PolarHBondContact O-OG 2.98Å
559	V	82	Confident	70.4	Confident	66 Å²	66	100.1 Å²	100.1	40%	0.4	54%	0.543	S	S	.	.	H	α-helix	trans	-66.3	-43.1	176.4	171.5	0	0	0	0	111.2	F555 V556 S562 I563	F555-V559 HydrophobicContact CD1-CG2 4.15Å; F555-V559 HydrophobicContact CE1-CG2 4.08Å; F555-V559 WeakPolarHBondContact O-CG2 3.26Å; F555-V559 PolarHBondContact O-N 3.08Å; F555-V559 VanDerWaalsContact O-N 3.12Å; V556-V559 PolarHBondContact O-N 3.4Å; V559-S562 WeakPolarHBondContact O-CB 3.23Å; V559-S562 PolarHBondContact O-N 2.95Å; V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 WeakPolarHBondContact O-CG1 3.3Å; V559-I563 PolarHBondContact O-N 2.93Å
560	L	78.9	Confident	70.4	Confident	109 Å²	109	101.1 Å²	101.1	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-43.6	176.9	-72.9	169	0	0	0	112.4	V556 L557 S562 I563 F564	V556-L560 HydrophobicContact CG1-CD1 4.08Å; V556-L560 WeakPolarHBondContact O-CG 2.83Å; V556-L560 PolarHBondContact O-N 3.08Å; L557-L560 PolarHBondContact O-N 2.73Å; L560-S562 PolarHBondContact O-N 3.47Å; L560-I563 PolarHBondContact O-N 3.31Å; L560-F564 PolarHBondContact O-N 3.03Å
561	L	77.9	Confident	70.3	Confident	104 Å²	104	106 Å²	106	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-61	-43.3	174.6	-112.6	161.9	0	0	0	111.9	L557 I563 F564 C565	L557-L561 HydrophobicContact CD2-CD1 4.39Å; L557-L561 PolarHBondContact O-N 3.09Å; L561-I563 VanDerWaalsContact C-N 3.34Å; L561-I563 PolarHBondContact O-N 3.18Å; L561-F564 PolarHBondContact O-N 2.82Å; L561-C565 PolarHBondContact O-N 3.03Å; L561-C565 PolarHBondContact O-SG 3.03Å; L561-C565 VanDerWaalsContact O-SG 3.41Å
562	S	77.1	Confident	69.6	Low	68 Å²	68	106.8 Å²	106.8	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-58.6	-43.6	175.9	-60.4	0	0	0	0	112.5	V558 V559 L560 W566	V558-S562 WeakPolarHBondContact O-CB 3.48Å; V558-S562 PolarHBondContact O-N 3.01Å; V558-S562 PolarHBondContact O-OG 2.98Å; V559-S562 WeakPolarHBondContact O-CB 3.23Å; V559-S562 PolarHBondContact O-N 2.95Å; L560-S562 PolarHBondContact O-N 3.47Å; S562-W566 PolarHBondContact O-N 3.02Å
563	I	78	Confident	68.9	Low	106 Å²	106	113 Å²	113	54%	0.544	57%	0.57	S	S	.	*	H	α-helix	trans	-65.7	-41	177.5	-68.1	165.3	0	0	0	111	V559 L560 L561 W566 H567	V559-I563 HydrophobicContact CG1-CD1 3.89Å; V559-I563 WeakPolarHBondContact O-CG1 3.3Å; V559-I563 PolarHBondContact O-N 2.93Å; L560-I563 PolarHBondContact O-N 3.31Å; L561-I563 VanDerWaalsContact C-N 3.34Å; L561-I563 PolarHBondContact O-N 3.18Å; I563-W566 PolarHBondContact O-N 3.27Å; I563-H567 PolarHBondContact O-N 3.15Å
564	F	76.6	Confident	67.7	Low	132 Å²	132	118.8 Å²	118.8	58%	0.579	58%	0.583	S	S	*	*	H	α-helix	trans	-64.4	-46.5	178.3	-168.5	-94.1	0	0	0	112	L560 L561 W566 H567 M568	L560-F564 PolarHBondContact O-N 3.03Å; L561-F564 PolarHBondContact O-N 2.82Å; F564-W566 PolarHBondContact O-N 2.58Å; F564-H567 PolarHBondContact O-N 3.1Å; F564-H567 VanDerWaalsContact O-N 3.14Å; F564-M568 HydrophobicContact CD1-CG 4.15Å; F564-M568 HydrophobicContact CE1-CG 3.83Å; F564-M568 HydrophobicContact CE1-SD 4.48Å; F564-M568 HydrophobicContact CZ-CG 4.35Å; F564-M568 PolarHBondContact O-N 3.46Å
565	C	70	Confident	66.2	Low	75 Å²	75	119.6 Å²	119.6	51%	0.507	59%	0.594	S	S	.	*	H	α-helix	trans	-60.1	-41.7	175.4	-71.3	0	0	0	0	112.4	L561 H567 M568 H569	L561-C565 PolarHBondContact O-N 3.03Å; L561-C565 PolarHBondContact O-SG 3.03Å; L561-C565 VanDerWaalsContact O-SG 3.41Å; C565-H567 PolarHBondContact O-N 2.7Å; C565-M568 PolarHBondContact O-N 3.15Å; C565-H569 WeakPolarHBondContact O-CB 3.47Å; C565-H569 PolarHBondContact O-N 2.85Å
566	W	76.6	Confident	64.4	Low	200 Å²	200	117.7 Å²	117.7	76%	0.758	60%	0.6	S	S	*	*	H	α-helix	trans	-59.5	-44.9	173	-172.6	-60.4	0	0	0	111.6	S562 I563 F564 H569 K570	S562-W566 PolarHBondContact O-N 3.02Å; I563-W566 PolarHBondContact O-N 3.27Å; F564-W566 PolarHBondContact O-N 2.58Å; W566-H569 PolarHBondContact O-N 3.39Å; W566-K570 WeakPolarHBondContact O-CB 3.03Å; W566-K570 PolarHBondContact O-N 3.07Å
567	H	68	Low	62.6	Low	101 Å²	101	121.5 Å²	121.5	47%	0.468	61%	0.612	S	S	.	*	H	α-helix	trans	-66.3	-40	-178.6	-164.1	96.4	0	0	0	112.5	I563 F564 C565 K570 K571	I563-H567 PolarHBondContact O-N 3.15Å; F564-H567 PolarHBondContact O-N 3.1Å; F564-H567 VanDerWaalsContact O-N 3.14Å; C565-H567 PolarHBondContact O-N 2.7Å; H567-K570 PolarHBondContact O-N 3.46Å; H567-K571 WeakPolarHBondContact NE2-CE 3.42Å; H567-K571 PolarHBondContact O-N 3.19Å
568	M	62	Low	60.7	Low	95 Å²	95	126.7 Å²	126.7	47%	0.468	63%	0.63	S	S	.	*	H	α-helix	trans	-63	-49.8	173.8	-72.5	-70.1	98.4	0	0	111.9	F564 C565 K570 K571 G572	F564-M568 HydrophobicContact CD1-CG 4.15Å; F564-M568 HydrophobicContact CE1-CG 3.83Å; F564-M568 HydrophobicContact CE1-SD 4.48Å; F564-M568 HydrophobicContact CZ-CG 4.35Å; F564-M568 PolarHBondContact O-N 3.46Å; C565-M568 PolarHBondContact O-N 3.15Å; M568-K570 PolarHBondContact O-N 3.03Å; M568-K571 PolarHBondContact O-N 3.17Å; M568-K571 VanDerWaalsContact O-N 3.09Å; M568-G572 PolarHBondContact O-N 3.1Å
569	H	61.6	Low	58.2	Low	126 Å²	126	133.5 Å²	133.5	58%	0.583	65%	0.646	S	S	*	*	H	α-helix	trans	-62.2	-30.5	178.7	-176.5	-145.9	0	0	0	112.7	C565 W566	C565-H569 WeakPolarHBondContact O-CB 3.47Å; C565-H569 PolarHBondContact O-N 2.85Å; W566-H569 PolarHBondContact O-N 3.39Å
570	K	55	Low	55.7	Low	153 Å²	153	140.1 Å²	140.1	67%	0.665	67%	0.67	S	S	*	*	H	α-helix	trans	-69.5	-30.1	175.2	-166.2	174.1	-178.1	-178.8	0	113.4	W566 H567 M568	W566-K570 WeakPolarHBondContact O-CB 3.03Å; W566-K570 PolarHBondContact O-N 3.07Å; H567-K570 PolarHBondContact O-N 3.46Å; M568-K570 PolarHBondContact O-N 3.03Å
571	K	49.6	Very low	53.3	Low	144 Å²	144	145.7 Å²	145.7	63%	0.626	69%	0.685	S	S	*	*	H	α-helix	trans	-77.9	-26.7	176.8	-77.6	-173.3	175.5	177.1	0	113.6	H567 M568 R573	H567-K571 WeakPolarHBondContact NE2-CE 3.42Å; H567-K571 PolarHBondContact O-N 3.19Å; M568-K571 PolarHBondContact O-N 3.17Å; M568-K571 VanDerWaalsContact O-N 3.09Å; K571-R573 PolarHBondContact O-N 3.06Å
572	G	43.4	Very low	51	Low	60 Å²	60	148.7 Å²	148.7	62%	0.619	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-1.5	-177.1	0	0	0	0	0	117	M568	M568-G572 PolarHBondContact O-N 3.1Å
573	R	43.7	Very low	49.1	Very low	191 Å²	191	157.8 Å²	157.8	72%	0.721	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	11.9	-170.9	-67.9	-166.9	178.9	-164.9	-1.2	116.4	K571	K571-R573 PolarHBondContact O-N 3.06Å
574	Y	41.1	Very low	46.8	Very low	216 Å²	216	156.3 Å²	156.3	85%	0.847	74%	0.737	S	S	*	*	S	Bend	trans	-110.1	1.6	-174.5	-90.3	-74.6	0	0	0	116.9
575	T	37.7	Very low	44.6	Very low	133 Å²	133	161.3 Å²	161.3	82%	0.816	75%	0.752	S	S	*	*			trans	-131.2	70.9	179.9	55.2	0	0	0	0	112.7
576	S	39.3	Very low	43.1	Very low	116 Å²	116	169.2 Å²	169.2	81%	0.811	77%	0.771	S	S	*	*			trans	-148.7	95.8	165.7	-174.5	0	0	0	0	111.5
577	Q	40.3	Very low	40.9	Very low	170 Å²	170	168.5 Å²	168.5	79%	0.794	77%	0.773	S	S	*	*			trans	-171.7	102.5	156.7	-112.2	178.2	24.9	0	0	112.2
578	K	33.6	Very low	39.6	Very low	211 Å²	211	170.2 Å²	170.2	92%	0.917	79%	0.786	S	S	*	*				-168.3	128.6	130	-110.4	168.2	-176.9	173	0	111
579	W	30.8	Very low	38.2	Very low	227 Å²	227	173.4 Å²	173.4	86%	0.86	80%	0.804	S	S	*	*			trans	-83.7	155.2	179.7	-49	-69	0	0	0	112.1
580	K	29	Very low	36.7	Very low	206 Å²	206	178.3 Å²	178.3	90%	0.896	82%	0.819	S	S	*	*				-170.4	128.8	112.9	-102.6	168.2	-176.4	-176.4	0	112
581	Y	28.2	Very low	35.3	Very low	226 Å²	226	177.5 Å²	177.5	89%	0.886	83%	0.832	S	S	*	*			trans	-72.6	145.9	157.8	-90.4	-92.4	0	0	0	109.6
582	N	29.2	Very low	34.5	Very low	167 Å²	167	179.2 Å²	179.2	89%	0.893	84%	0.842	S	S	*	*			trans	-137.1	130.9	159.1	-118.2	-6.9	0	0	0	108.5
583	R	37.2	Very low	33.9	Very low	258 Å²	258	181.1 Å²	181.1	97%	0.974	85%	0.852	S	S	*	*			trans	-105.7	86.8	-169.4	-156.5	176.5	-168.4	178.9	3.6	110.3
584	G	29.2	Very low	33.2	Very low	76 Å²	76	175.4 Å²	175.4	78%	0.784	85%	0.852	S	S	*	*			trans	-94	161.3	178.6	0	0	0	0	0	113.7
585	R	32.2	Very low	32.8	Very low	237 Å²	237	171.4 Å²	171.4	89%	0.894	85%	0.851	S	S	*	*			trans	-96.6	143.7	179.6	-73.6	174.8	168.7	166.2	-4.8	111.9
586	R	37.7	Very low	32.4	Very low	240 Å²	240	174.2 Å²	174.2	91%	0.906	85%	0.851	S	S	*	*			trans	42.9	114.5	150.2	-64.3	176.8	176.5	163.7	-4.3	117.8
587	K	30.5	Very low	32.3	Very low	186 Å²	186	176.5 Å²	176.5	81%	0.809	85%	0.847	S	S	*	*				-160.2	166.6	96.9	-153.8	173.7	172.2	-164.4	0	109.9
588	D	41.1	Very low	32.1	Very low	137 Å²	137	173.5 Å²	173.5	73%	0.733	84%	0.836	S	S	*	*			trans	-72.4	139.5	173	-26.8	-94.2	0	0	0	110.4
589	D	32.3	Very low	32.4	Very low	161 Å²	161	170.1 Å²	170.1	86%	0.861	83%	0.828	S	S	*	*			trans	-157.2	146.7	161.8	-95.8	-42.6	0	0	0	110.3
590	Y	29.2	Very low	32.7	Very low	229 Å²	229	164.2 Å²	164.2	90%	0.898	82%	0.822	S	S	*	*			trans	-79.4	142.6	178.3	-87.2	-124.5	0	0	0	111.2	E592	Y590-E592 PolarHBondContact O-N 3.47Å
591	C	27	Very low	33	Very low	137 Å²	137	161 Å²	161	93%	0.926	81%	0.813	S	S	*	*			trans	-96.8	75.3	165.3	-73.8	0	0	0	0	110.4
592	E	32.3	Very low	33.5	Very low	180 Å²	180	156.8 Å²	156.8	84%	0.841	81%	0.805	S	S	*	*			trans	-70.9	132.2	167.6	-165.9	170	-123.6	0	0	109.4	Y590 G594	Y590-E592 PolarHBondContact O-N 3.47Å; E592-G594 PolarHBondContact O-N 3.05Å
593	A	29.6	Very low	34.1	Very low	99 Å²	99	157.2 Å²	157.2	82%	0.818	80%	0.802	S	S	*	*			trans	-79.2	67.1	-171.9	0	0	0	0	0	112.2	T595	A593-T595 PolarHBondContact O-N 2.04Å
594	G	28.8	Very low	34.6	Very low	71 Å²	71	150.7 Å²	150.7	73%	0.732	78%	0.784	S	S	*	*			trans	-59.2	115.8	-177.5	0	0	0	0	0	113.1	E592	E592-G594 PolarHBondContact O-N 3.05Å
595	T	33.1	Very low	35.2	Very low	133 Å²	133	153.2 Å²	153.2	82%	0.816	78%	0.784	S	S	*	*			trans	-62.9	146.9	167.3	48.1	0	0	0	0	110.3	A593 K597	A593-T595 PolarHBondContact O-N 2.04Å; T595-K597 PolarHBondContact O-N 2.81Å
596	K	30.4	Very low	35.8	Very low	191 Å²	191	149.5 Å²	149.5	83%	0.83	78%	0.777	S	S	*	*			trans	-70.5	101.9	-178.6	-173.2	-172.1	173.5	-160.9	0	109.6	D598	K596-D598 PolarHBondContact O-N 3.44Å
597	K	37.7	Very low	36.1	Very low	165 Å²	165	145.4 Å²	145.4	72%	0.717	78%	0.778	S	S	*	*			trans	-67.7	92.7	-173.2	-169.9	-179.5	-179.6	177.6	0	113.2	T595 N599	T595-K597 PolarHBondContact O-N 2.81Å; K597-N599 WeakPolarHBondContact CD-OD1 3.28Å; K597-N599 WeakPolarHBondContact CE-OD1 3.38Å; K597-N599 WeakPolarHBondContact CG-OD1 2.98Å; K597-N599 PolarHBondContact O-N 3.39Å
598	D	34.1	Very low	36.5	Very low	107 Å²	107	141.5 Å²	141.5	57%	0.572	77%	0.774	S	S	*	*			trans	-73.1	109	161	-84.2	-35	0	0	0	109.1	K596 S600 I601	K596-D598 PolarHBondContact O-N 3.44Å; D598-S600 PolarHBondContact O-N 2.94Å; D598-I601 PolarHBondContact O-N 3.48Å
599	N	40.4	Very low	36.6	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	18.5	-174.5	-61.3	-61.2	0	0	0	114.3	K597	K597-N599 WeakPolarHBondContact CD-OD1 3.28Å; K597-N599 WeakPolarHBondContact CE-OD1 3.38Å; K597-N599 WeakPolarHBondContact CG-OD1 2.98Å; K597-N599 PolarHBondContact O-N 3.39Å
600	S	38	Very low	36.9	Very low	104 Å²	104	142 Å²	142	73%	0.727	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-12.7	177.9	51.9	0	0	0	0	113.5	D598	D598-S600 PolarHBondContact O-N 2.94Å
601	I	35.2	Very low	37.5	Very low	137 Å²	137	138 Å²	138	70%	0.703	76%	0.758	S	S	*	*			trans	-110.3	128.4	-178.5	-57	178.5	0	0	0	108.7	D598	D598-I601 PolarHBondContact O-N 3.48Å
602	L	38.6	Very low	38	Very low	139 Å²	139	136.8 Å²	136.8	73%	0.728	75%	0.746	S	S	*	*			trans	-122.4	96.3	-178.3	-151.3	162	0	0	0	107.8	M604	L602-M604 HydrophobicContact CD2-CE 3.9Å; L602-M604 HydrophobicContact CD2-CG 3.51Å; L602-M604 HydrophobicContact CD2-SD 3.78Å
603	E	40.4	Very low	38.2	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.822	74%	0.739	S	S	*	*			trans	-81.2	131.9	-179.7	-171	164.5	-145.9	0	0	109.9
604	M	49	Very low	38.8	Very low	121 Å²	121	135.9 Å²	135.9	60%	0.596	74%	0.74	S	S	*	*			trans	-139.1	124.8	-173.8	-59.3	-179.3	110.4	0	0	109.2	L602 F609	L602-M604 HydrophobicContact CD2-CE 3.9Å; L602-M604 HydrophobicContact CD2-CG 3.51Å; L602-M604 HydrophobicContact CD2-SD 3.78Å; M604-F609 HydrophobicContact CE-CZ 4.39Å; M604-F609 HydrophobicContact SD-CE1 4.17Å; M604-F609 HydrophobicContact SD-CZ 3.99Å
605	T	42.5	Very low	39.3	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	74%	0.742	S	S	*	*			trans	-112.4	10.3	-166.1	51.9	0	0	0	0	114.5
606	E	43.3	Very low	39.9	Very low	160 Å²	160	140.8 Å²	140.8	75%	0.748	75%	0.745	S	S	*	*			trans	-119.2	148.6	-176.5	-65.3	-173.3	170	0	0	112.3
607	T	43.9	Very low	40.3	Very low	153 Å²	153	139.3 Å²	139.3	94%	0.939	75%	0.746	S	S	*	*	S	Bend	trans	-98.8	10.7	-164.2	48.2	0	0	0	0	115.4
608	S	39.2	Very low	40.8	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	75%	0.752	S	S	*	*			trans	-148.2	101.9	-179.7	60.4	0	0	0	0	113.9
609	F	44.2	Very low	41.1	Very low	137 Å²	137	142.8 Å²	142.8	60%	0.601	77%	0.766	S	S	*	*			trans	-145.9	157.1	163	68.4	-87.9	0	0	0	111.8	M604 I611	M604-F609 HydrophobicContact CE-CZ 4.39Å; M604-F609 HydrophobicContact SD-CE1 4.17Å; M604-F609 HydrophobicContact SD-CZ 3.99Å; F609-I611 HydrophobicContact CD2-CG1 4.02Å; F609-I611 HydrophobicContact CE2-CD1 4.08Å; F609-I611 HydrophobicContact CE2-CG1 3.72Å
610	Q	37.7	Very low	40.9	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	77%	0.772	S	S	*	*			trans	-122.3	124.2	173.4	-179.3	179	0.7	0	0	108.5
611	I	42.3	Very low	41	Very low	145 Å²	145	149.8 Å²	149.8	74%	0.744	78%	0.783	S	S	*	*			trans	-77.5	130.4	174.9	-57.2	174.2	0	0	0	108.8	F609	F609-I611 HydrophobicContact CD2-CG1 4.02Å; F609-I611 HydrophobicContact CE2-CD1 4.08Å; F609-I611 HydrophobicContact CE2-CG1 3.72Å
612	V	36.9	Very low	41.2	Very low	110 Å²	110	145.2 Å²	145.2	67%	0.667	77%	0.77	S	S	*	*			trans	-122.9	130.7	169.4	-177.2	0	0	0	0	107.9
613	S	37.4	Very low	41	Very low	98 Å²	98	146.7 Å²	146.7	69%	0.685	78%	0.779	S	S	*	*			trans	-73	129.2	-179.8	-173.1	0	0	0	0	110.8
614	L	41.8	Very low	40.8	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	78%	0.78	S	S	*	*	S	Bend	trans	-96.3	119	168.5	-72.9	168.7	0	0	0	108.5
615	N	38.5	Very low	40	Very low	144 Å²	144	152.2 Å²	152.2	77%	0.77	79%	0.791	S	S	*	*			trans	73.3	126	-170.8	-59.1	-16.6	0	0	0	116.3	D617	N615-D617 PolarHBondContact O-N 3.29Å
616	N	46.4	Very low	39.8	Very low	164 Å²	164	154.1 Å²	154.1	88%	0.877	80%	0.795	S	S	*	*			trans	-70.2	110.2	147.8	-79.2	-24.7	0	0	0	107.8
617	D	38.2	Very low	39.2	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	79%	0.794	S	S	*	*			trans	-156.7	155	136	-114	-33.8	0	0	0	111.4	N615 L619	N615-D617 PolarHBondContact O-N 3.29Å; D617-L619 PolarHBondContact O-N 3.32Å
618	Q	48.1	Very low	38.8	Very low	183 Å²	183	151.6 Å²	151.6	86%	0.855	78%	0.783	S	S	*	*			trans	-82.2	116.8	-168.9	-59.8	178.9	4.5	0	0	112
619	L	40.6	Very low	38.8	Very low	162 Å²	162	153.8 Å²	153.8	85%	0.848	79%	0.785	S	S	*	*			trans	178	101.8	136	-100	158	0	0	0	112.8	D617	D617-L619 PolarHBondContact O-N 3.32Å
620	L	36.2	Very low	38.4	Very low	168 Å²	168	157 Å²	157	88%	0.88	79%	0.794	S	S	*	*			trans	163.9	99.9	132.8	-91.1	168.4	0	0	0	109.6	G622	L620-G622 PolarHBondContact O-N 3.47Å
621	K	40.8	Very low	38.6	Very low	221 Å²	221	153.6 Å²	153.6	96%	0.961	79%	0.785	S	S	*	*			trans	-87.3	93	176.1	-144.3	-176.2	-172.3	-172.3	0	108.9
622	G	38.9	Very low	38.5	Very low	42 Å²	42	153 Å²	153	43%	0.433	79%	0.791	S	S	.	*			trans	-126.8	128.8	173.9	0	0	0	0	0	110.5	L620 F624	L620-G622 PolarHBondContact O-N 3.47Å; G622-F624 WeakPolarHBondContact O-CD2 3.06Å; G622-F624 WeakPolarHBondContact O-CE2 3.39Å; G622-F624 PolarHBondContact O-N 3.2Å; G622-F624 VanDerWaalsContact O-N 3.14Å
623	D	34.3	Very low	38.7	Very low	170 Å²	170	154.9 Å²	154.9	91%	0.909	80%	0.797	S	S	*	*			trans	-79.4	95.9	-179.4	-67.1	-38.5	0	0	0	110.5	R625	D623-R625 PolarHBondContact O-N 3.08Å; D623-R625 VanDerWaalsContact O-N 3.09Å
624	F	37.6	Very low	39	Very low	190 Å²	190	153.9 Å²	153.9	83%	0.833	80%	0.803	S	S	*	*			trans	-73.7	97.2	177.8	-64.7	-79.5	0	0	0	111.3	G622 L626	G622-F624 WeakPolarHBondContact O-CD2 3.06Å; G622-F624 WeakPolarHBondContact O-CE2 3.39Å; G622-F624 PolarHBondContact O-N 3.2Å; G622-F624 VanDerWaalsContact O-N 3.14Å; F624-L626 PolarHBondContact O-N 3.1Å
625	R	32.1	Very low	38.6	Very low	223 Å²	223	149.2 Å²	149.2	84%	0.842	79%	0.793	S	S	*	*			trans	-83.2	99.7	172.9	-172.7	176	-178	169.7	-0.1	110.9	D623	D623-R625 PolarHBondContact O-N 3.08Å; D623-R625 VanDerWaalsContact O-N 3.09Å
626	L	37	Very low	38.7	Very low	167 Å²	167	150.2 Å²	150.2	87%	0.874	80%	0.797	S	S	*	*			trans	-69.3	133.5	169	-66.4	168.4	0	0	0	110.4	F624	F624-L626 PolarHBondContact O-N 3.1Å
627	Q	30.1	Very low	37.9	Very low	153 Å²	153	149.5 Å²	149.5	72%	0.715	79%	0.793	S	S	*	*			trans	-136.2	116.4	174	-178.1	168.2	-16.6	0	0	108.6
628	P	37.5	Very low	37.4	Very low	108 Å²	108	152.1 Å²	152.1	70%	0.701	79%	0.792	S	S	*	*			trans	-70.3	135.9	-179.4	28.8	-33.9	0	0	0	110.5
629	I	37.9	Very low	36.7	Very low	150 Å²	150	149 Å²	149	77%	0.769	79%	0.786	S	S	*	*	S	Bend	trans	-78.7	-25.1	-179.1	-60.4	176.2	0	0	0	111.3
630	Y	35.6	Very low	36.1	Very low	204 Å²	204	148.4 Å²	148.4	80%	0.8	78%	0.784	S	S	*	*			trans	-127.7	139.9	178.7	-60.5	-76.2	0	0	0	111.1
631	T	43.2	Very low	35.7	Very low	102 Å²	102	146 Å²	146	63%	0.626	78%	0.779	S	S	*	*			trans	-91.3	155.2	166.2	58.4	0	0	0	0	109.6	N633	T631-N633 PolarHBondContact O-N 3.14Å
632	P	39.9	Very low	35.1	Very low	132 Å²	132	144.5 Å²	144.5	86%	0.857	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-14.8	-172.7	-25.2	35.5	0	0	0	115.8
633	N	40.7	Very low	34.8	Very low	149 Å²	149	150.1 Å²	150.1	80%	0.797	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	26.3	-165.9	-65.6	4.2	0	0	0	114.1	T631 G635	T631-N633 PolarHBondContact O-N 3.14Å; N633-G635 VanDerWaalsContact C-N 3.27Å; N633-G635 PolarHBondContact O-N 3.23Å
634	G	43.9	Very low	34.9	Very low	78 Å²	78	147.2 Å²	147.2	80%	0.804	78%	0.784	S	S	*	*			trans	58.1	20.4	156.2	0	0	0	0	0	118.7
635	G	33.4	Very low	34.5	Very low	63 Å²	63	145 Å²	145	65%	0.649	78%	0.781	S	S	*	*			trans	-92.1	117.9	-174	0	0	0	0	0	114	N633 N637	N633-G635 VanDerWaalsContact C-N 3.27Å; N633-G635 PolarHBondContact O-N 3.23Å; G635-N637 PolarHBondContact O-N 2.93Å
636	I	39.3	Very low	34.4	Very low	166 Å²	166	141.8 Å²	141.8	85%	0.851	78%	0.781	S	S	*	*			trans	-78.7	115.4	165.8	-58.9	174.5	0	0	0	108.8
637	N	31.3	Very low	34.1	Very low	148 Å²	148	142.6 Å²	142.6	79%	0.791	78%	0.783	S	S	*	*			trans	-159.2	113	155.1	-104.5	-30.8	0	0	0	110.5	G635	G635-N637 PolarHBondContact O-N 2.93Å
638	Y	27.8	Very low	34	Very low	215 Å²	215	147.1 Å²	147.1	84%	0.843	79%	0.793	S	S	*	*			trans	-97.7	111.4	165.7	-116	-88.7	0	0	0	108.1
639	T	32	Very low	33.6	Very low	118 Å²	118	152.4 Å²	152.4	72%	0.724	80%	0.801	S	S	*	*			trans	-133.8	95.8	165.9	43.2	0	0	0	0	109.2	C641	T639-C641 PolarHBondContact O-N 3.24Å
640	D	29.1	Very low	33	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	81%	0.808	S	S	*	*			trans	-62.7	121.6	171.1	-102.2	-44.4	0	0	0	110.2
641	C	26.6	Very low	32.6	Very low	117 Å²	117	148.7 Å²	148.7	79%	0.791	81%	0.805	S	S	*	*			trans	-141.7	112.1	172.7	-95.7	0	0	0	0	109.8	T639	T639-C641 PolarHBondContact O-N 3.24Å
642	H	29.8	Very low	32	Very low	191 Å²	191	149 Å²	149	88%	0.884	81%	0.812	S	S	*	*			trans	-64.5	140.2	174.4	-80.8	-85	0	0	0	112
643	I	32.1	Very low	31.5	Very low	159 Å²	159	150.1 Å²	150.1	82%	0.815	81%	0.81	S	S	*	*			trans	-80	136.8	170.2	-52.6	163.8	0	0	0	108.8
644	P	36.2	Very low	30.8	Very low	109 Å²	109	150.1 Å²	150.1	71%	0.708	82%	0.815	S	S	*	*				-141.5	126.9	117.2	32.8	-17.5	0	0	0	115.3
645	N	29.6	Very low	30	Very low	144 Å²	144	151 Å²	151	77%	0.77	81%	0.81	S	S	*	*			trans	72.2	153.4	150	-64.6	-16.1	0	0	0	122.4
646	N	28.6	Very low	29.8	Very low	156 Å²	156	155.6 Å²	155.6	83%	0.834	82%	0.819	S	S	*	*			trans	72.2	101.5	167.6	-69.6	-6.3	0	0	0	120
647	M	31.6	Very low	29.4	Very low	184 Å²	184	155.3 Å²	155.3	91%	0.906	82%	0.818	S	S	*	*			trans	13.8	124.6	144.7	-71.9	179.5	156.9	0	0	119.4
648	R	27.4	Very low	29.5	Very low	248 Å²	248	152.8 Å²	152.8	94%	0.936	80%	0.802	S	S	*	*				-161.3	161.8	118.8	-108.3	159.5	-169.5	-171.1	2.4	112.7
649	Y	28.6	Very low	29.8	Very low	219 Å²	219	150.7 Å²	150.7	86%	0.859	80%	0.799	S	S	*	*			trans	-69.2	133.9	178	-83.5	-120.4	0	0	0	111.3	N651	Y649-N651 PolarHBondContact O-N 2.83Å
650	C	26	Very low	29.6	Very low	137 Å²	137	149 Å²	149	93%	0.926	79%	0.791	S	S	*	*			trans	-85.4	96.2	156.4	-69.4	0	0	0	0	108.4
651	N	26.6	Very low	29.9	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	79%	0.791	S	S	*	*			trans	-75.4	131.6	175.7	-134.7	16.8	0	0	0	109.4	Y649 N653	Y649-N651 PolarHBondContact O-N 2.83Å; N651-N653 PolarHBondContact O-N 2.78Å
652	S	31.2	Very low	30.3	Very low	108 Å²	108	154.4 Å²	154.4	76%	0.755	81%	0.814	S	S	*	*			trans	-73.5	105.7	172	53.5	0	0	0	0	110
653	N	29.4	Very low	30.3	Very low	156 Å²	156	152.6 Å²	152.6	83%	0.834	81%	0.811	S	S	*	*			trans	-168	118	157.8	-98.8	-18.5	0	0	0	110	N651	N651-N653 PolarHBondContact O-N 2.78Å
654	V	26.4	Very low	30.2	Very low	148 Å²	148	152.2 Å²	152.2	90%	0.897	81%	0.81	S	S	*	*			trans	-123.5	124.3	159.2	178	0	0	0	0	105.7
655	S	26.5	Very low	29.8	Very low	98 Å²	98	154.6 Å²	154.6	69%	0.685	82%	0.816	S	S	*	*			trans	-87.3	143	-173.7	51.5	0	0	0	0	112.3
656	D	30.1	Very low	29.9	Very low	158 Å²	158	155.2 Å²	155.2	85%	0.845	82%	0.819	S	S	*	*			trans	-55.7	144	166.6	-70.8	-64.3	0	0	0	112.1
657	L	31.3	Very low	29.9	Very low	161 Å²	161	155.2 Å²	155.2	84%	0.843	82%	0.818	S	S	*	*			trans	-139.4	52.8	177.9	-143.3	81.3	0	0	0	112.2	H659	L657-H659 PolarHBondContact O-N 3.21Å
658	E	33.1	Very low	29.8	Very low	95 Å²	95	153.3 Å²	153.3	44%	0.444	81%	0.812	S	S	.	*			trans	-90	81	172.8	-66.9	-162.8	141.7	0	0	111.7	R470 K476	R470-E658 IonicContact CZ-OE1 3.76Å; R470-E658 VanDerWaalsContact CZ-OE1 3.3Å; R470-E658 IonicContact NH1-OE1 3.92Å; R470-E658 PolarHBondContact NH1-OE1 3.19Å; R470-E658 IonicContact NH2-OE1 3.51Å; R470-E658 PolarHBondContact NH2-OE1 3.29Å; K476-E658 IonicContact NZ-OE1 3.17Å; K476-E658 IonicContact NZ-OE2 2.73Å; K476-E658 PolarHBondContact NZ-OE2 3.26Å
659	H	32.8	Very low	30	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.787	80%	0.803	S	S	*	*			trans	-142.5	129.9	166.1	-78.2	93.6	0	0	0	112.2	L657	L657-H659 PolarHBondContact O-N 3.21Å
660	C	29.1	Very low	30.1	Very low	82 Å²	82	140.9 Å²	140.9	55%	0.554	80%	0.799	S	S	*	*			trans	-111.9	140.2	163.9	-65.3	0	0	0	0	108.8
661	H	34.8	Very low	30.5	Very low	173 Å²	173	141.3 Å²	141.3	80%	0.801	79%	0.788	S	S	*	*			trans	-100.5	155.8	166.6	-73.7	-70.2	0	0	0	110.8
662	T	34.3	Very low	30.8	Very low	207 Å²	207	141.5 Å²	141.5	100%	1.27	79%	0.792	S	S	*	*			trans	-77.3	0	-178.2	53.8	0	0	0	0	112.9

Retrieved 662 of 662 residues in 165.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).