A0A077Z446_TRITR Loading...

Zf-C2H2 and zf-C2H2 4 and zf-H2C2 2 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077Z446, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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	36.6	Very low	30.2	Very low	242 Å²	242	153.5 Å²	153.5	100%	1.192	85%	0.849	S	S	*	*				0	120.2	0	-81.5	179.1	162	0	0	108.3
2	V	30	Very low	30.4	Very low	125 Å²	125	151 Å²	151	76%	0.758	85%	0.845	S	S	*	*			trans	-66.9	131.8	172.3	178.1	0	0	0	0	108.1	S4	V2-S4 WeakPolarHBondContact CG1-OG 3.47Å
3	V	31.8	Very low	30.8	Very low	146 Å²	146	150.8 Å²	150.8	89%	0.885	84%	0.842	S	S	*	*			trans	-116.4	107.6	154.4	-176.8	0	0	0	0	106.9
4	S	27.2	Very low	31.3	Very low	86 Å²	86	151.9 Å²	151.9	60%	0.601	84%	0.844	S	S	*	*			trans	-72.9	145.5	-166.6	-47.6	0	0	0	0	112.2	V2 S6	V2-S4 WeakPolarHBondContact CG1-OG 3.47Å; S4-S6 PolarHBondContact O-N 3.47Å
5	R	27.9	Very low	32.3	Very low	245 Å²	245	148.6 Å²	148.6	93%	0.925	83%	0.828	S	S	*	*			trans	-52.8	113.3	157.6	-73.5	170.8	169.7	173.8	-4.4	109.7
6	S	31.5	Very low	33.1	Very low	118 Å²	118	145.2 Å²	145.2	83%	0.825	81%	0.808	S	S	*	*			trans	-90.7	113.4	160.7	28	0	0	0	0	109.1	S4	S4-S6 PolarHBondContact O-N 3.47Å
7	T	27.2	Very low	34.4	Very low	133 Å²	133	143.9 Å²	143.9	82%	0.816	80%	0.799	S	S	*	*			trans	-62.8	121.6	170.4	45.2	0	0	0	0	111.4
8	L	32.4	Very low	35.4	Very low	177 Å²	177	138.4 Å²	138.4	93%	0.927	78%	0.775	S	S	*	*			trans	-126.5	103.2	154.7	-91.2	161.3	0	0	0	108.7
9	S	25	Very low	36.5	Very low	115 Å²	115	134.1 Å²	134.1	80%	0.804	75%	0.752	S	S	*	*			trans	-67.2	127	168.8	175.4	0	0	0	0	110.3
10	S	32.1	Very low	37.4	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	74%	0.74	S	S	*	*			trans	-162.9	133.9	140.9	47.2	0	0	0	0	109.1
11	K	30.6	Very low	38.7	Very low	189 Å²	189	130.1 Å²	130.1	82%	0.822	73%	0.726	S	S	*	*			trans	-61.9	148.7	-164.1	-68.8	165.6	175.2	173.6	0	112.6	D13	K11-D13 PolarHBondContact O-N 2.99Å; K11-D13 VanDerWaalsContact O-N 3.14Å
12	P	32.8	Very low	39.7	Very low	123 Å²	123	125.9 Å²	125.9	80%	0.799	70%	0.701	S	S	*	*			trans	-73	105.7	168.4	30.4	-28.4	0	0	0	107.6	L14	P12-L14 PolarHBondContact O-N 3.03Å
13	D	35.7	Very low	40.8	Very low	149 Å²	149	125.5 Å²	125.5	80%	0.797	69%	0.692	S	S	*	*			trans	-58	124	168.2	-89.5	-36	0	0	0	108.2	K11 V15	K11-D13 PolarHBondContact O-N 2.99Å; K11-D13 VanDerWaalsContact O-N 3.14Å; D13-V15 VanDerWaalsContact C-N 3.3Å; D13-V15 PolarHBondContact O-N 3.32Å
14	L	37	Very low	42.3	Very low	166 Å²	166	127.3 Å²	127.3	87%	0.869	68%	0.683	S	S	*	*			trans	-45.7	96.7	168.5	-97.3	76.5	0	0	0	108.3	P12 D16	P12-L14 PolarHBondContact O-N 3.03Å; L14-D16 PolarHBondContact O-N 3.27Å
15	V	46.1	Very low	43.9	Very low	102 Å²	102	129.8 Å²	129.8	62%	0.618	68%	0.683	S	S	*	*			trans	-65.1	99.1	159.6	-176.3	0	0	0	0	104.3	D13 L17	D13-V15 VanDerWaalsContact C-N 3.3Å; D13-V15 PolarHBondContact O-N 3.32Å; V15-L17 PolarHBondContact O-N 3Å; V15-L17 VanDerWaalsContact O-N 3.15Å
16	D	46.1	Very low	45.5	Very low	94 Å²	94	120.8 Å²	120.8	50%	0.503	66%	0.661	S	S	.	*			trans	-27.1	114.5	-177.2	-177.2	-0.7	0	0	0	111	L14 A18 V19 L20	L14-D16 PolarHBondContact O-N 3.27Å; D16-A18 PolarHBondContact O-N 3.49Å; D16-A18 VanDerWaalsContact OD1-CB 3.26Å; D16-A18 WeakPolarHBondContact OD1-CB 3.5Å; D16-A18 PolarHBondContact OD1-N 2.98Å; D16-V19 HydrophobicContact CB-CB 4.49Å; D16-V19 HydrophobicContact CB-CG2 3.97Å; D16-V19 WeakPolarHBondContact O-CA 3.39Å; D16-V19 WeakPolarHBondContact O-CB 3.39Å; D16-V19 PolarHBondContact O-N 3.37Å; D16-L20 PolarHBondContact O-N 3.07Å
17	L	54.2	Low	47.1	Very low	124 Å²	124	119.7 Å²	119.7	65%	0.649	65%	0.645	S	S	*	*	H	α-helix	trans	-51.3	-27.4	-179.9	-175.9	64.9	0	0	0	110.9	V15 L20 I21	V15-L17 PolarHBondContact O-N 3Å; V15-L17 VanDerWaalsContact O-N 3.15Å; L17-L20 PolarHBondContact O-N 3.27Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.45Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.05Å
18	A	53.5	Low	48.6	Very low	44 Å²	44	118 Å²	118	36%	0.364	63%	0.63	S	S	.	*	H	α-helix	trans	-64.9	-36	172.7	0	0	0	0	0	113.6	D16 K22	D16-A18 PolarHBondContact O-N 3.49Å; D16-A18 VanDerWaalsContact OD1-CB 3.26Å; D16-A18 WeakPolarHBondContact OD1-CB 3.5Å; D16-A18 PolarHBondContact OD1-N 2.98Å; A18-K22 WeakPolarHBondContact O-CB 3.42Å; A18-K22 VanDerWaalsContact O-CG 3.28Å; A18-K22 WeakPolarHBondContact O-CG 3.46Å; A18-K22 PolarHBondContact O-N 3.32Å
19	V	56.6	Low	49.9	Very low	56 Å²	56	115.1 Å²	115.1	34%	0.339	62%	0.615	S	S	.	*	H	α-helix	trans	-69.6	-44.1	175.2	177.2	0	0	0	0	110.5	D16 I21 K22 M23	D16-V19 HydrophobicContact CB-CB 4.49Å; D16-V19 HydrophobicContact CB-CG2 3.97Å; D16-V19 WeakPolarHBondContact O-CA 3.39Å; D16-V19 WeakPolarHBondContact O-CB 3.39Å; D16-V19 PolarHBondContact O-N 3.37Å; V19-I21 PolarHBondContact O-N 2.98Å; V19-K22 PolarHBondContact O-N 3.44Å; V19-M23 HydrophobicContact CG1-CE 4.08Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 WeakPolarHBondContact O-CB 3.5Å; V19-M23 WeakPolarHBondContact O-CG 3.22Å; V19-M23 PolarHBondContact O-N 2.57Å
20	L	52.9	Low	51.5	Low	99 Å²	99	116.1 Å²	116.1	52%	0.518	61%	0.605	S	S	.	*	H	α-helix	trans	-63.6	-40.4	175.3	-86.5	163.5	0	0	0	112.1	D16 L17 M23 R24	D16-L20 PolarHBondContact O-N 3.07Å; L17-L20 PolarHBondContact O-N 3.27Å; L20-M23 PolarHBondContact O-N 3.35Å; L20-R24 WeakPolarHBondContact O-CB 3.48Å; L20-R24 PolarHBondContact O-N 3.08Å
21	I	64.9	Low	52.6	Low	86 Å²	86	116.3 Å²	116.3	44%	0.441	59%	0.594	S	S	.	*	H	α-helix	trans	-65.2	-41	174.3	-69.2	166.2	0	0	0	110.9	L17 V19 R24 K25	L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CB 3.23Å; L17-I21 WeakPolarHBondContact O-CD1 3.45Å; L17-I21 WeakPolarHBondContact O-CG1 3.43Å; L17-I21 PolarHBondContact O-N 3.05Å; V19-I21 PolarHBondContact O-N 2.98Å; I21-R24 PolarHBondContact O-N 3.44Å; I21-K25 HydrophobicContact CG2-CD 4.4Å; I21-K25 WeakPolarHBondContact O-CB 3.33Å; I21-K25 WeakPolarHBondContact O-CG 3.49Å; I21-K25 PolarHBondContact O-N 3.13Å
22	K	57.2	Low	53.8	Low	153 Å²	153	112.6 Å²	112.6	67%	0.665	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-43.8	174.9	-80.6	174.6	-178.8	175.3	0	111.8	A18 V19 K25 A26	A18-K22 WeakPolarHBondContact O-CB 3.42Å; A18-K22 VanDerWaalsContact O-CG 3.28Å; A18-K22 WeakPolarHBondContact O-CG 3.46Å; A18-K22 PolarHBondContact O-N 3.32Å; V19-K22 PolarHBondContact O-N 3.44Å; K22-K25 PolarHBondContact O-N 3.34Å; K22-A26 WeakPolarHBondContact O-CB 3.36Å; K22-A26 PolarHBondContact O-N 2.94Å
23	M	54.8	Low	54.8	Low	118 Å²	118	110.6 Å²	110.6	58%	0.581	57%	0.565	S	S	*	*	H	α-helix	trans	-64.5	-43.4	176.1	-73.8	-165.1	179.1	0	0	111.4	V19 L20 A26 I27	V19-M23 HydrophobicContact CG1-CE 4.08Å; V19-M23 HydrophobicContact CG1-CG 4.49Å; V19-M23 WeakPolarHBondContact O-CB 3.5Å; V19-M23 WeakPolarHBondContact O-CG 3.22Å; V19-M23 PolarHBondContact O-N 2.57Å; L20-M23 PolarHBondContact O-N 3.35Å; M23-A26 WeakPolarHBondContact O-CB 3.24Å; M23-A26 PolarHBondContact O-N 2.74Å; M23-I27 VanDerWaalsContact O-CG1 3.25Å; M23-I27 WeakPolarHBondContact O-CG1 3.48Å; M23-I27 PolarHBondContact O-N 3.16Å
24	R	61.6	Low	55.8	Low	183 Å²	183	109.1 Å²	109.1	69%	0.691	55%	0.552	S	S	*	*	H	α-helix	trans	-65.5	-40.4	177	-168.1	170.9	179.8	166.5	-0.8	112.1	L20 I21 A26 I27 L28	L20-R24 WeakPolarHBondContact O-CB 3.48Å; L20-R24 PolarHBondContact O-N 3.08Å; I21-R24 PolarHBondContact O-N 3.44Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-I27 PolarHBondContact O-N 3.23Å; R24-L28 HydrophobicContact CG-CD1 4.3Å; R24-L28 WeakPolarHBondContact O-CB 3.42Å; R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.1Å; R24-L28 PolarHBondContact O-N 2.99Å
25	K	62.5	Low	56.9	Low	139 Å²	139	104.2 Å²	104.2	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-62.6	-40.2	171.5	-79.2	-175.8	177.9	-177.6	0	111.7	I21 K22 L28 L29	I21-K25 HydrophobicContact CG2-CD 4.4Å; I21-K25 WeakPolarHBondContact O-CB 3.33Å; I21-K25 WeakPolarHBondContact O-CG 3.49Å; I21-K25 PolarHBondContact O-N 3.13Å; K22-K25 PolarHBondContact O-N 3.34Å; K25-L28 PolarHBondContact O-N 3.43Å; K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 VanDerWaalsContact O-CG 3.23Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 3.39Å
26	A	61.3	Low	57.2	Low	56 Å²	56	105.4 Å²	105.4	46%	0.463	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-40.2	176.3	0	0	0	0	0	112.1	K22 M23 R24 L29 F30	K22-A26 WeakPolarHBondContact O-CB 3.36Å; K22-A26 PolarHBondContact O-N 2.94Å; M23-A26 WeakPolarHBondContact O-CB 3.24Å; M23-A26 PolarHBondContact O-N 2.74Å; R24-A26 VanDerWaalsContact C-N 3.34Å; A26-L29 PolarHBondContact O-N 2.89Å; A26-F30 VanDerWaalsContact O-CB 3.22Å; A26-F30 WeakPolarHBondContact O-CB 3.46Å; A26-F30 PolarHBondContact O-N 3.06Å
27	I	64.3	Low	57.3	Low	95 Å²	95	103.5 Å²	103.5	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-45	175.5	-66.8	162.9	0	0	0	110.4	M23 R24 L29 F30 E31	M23-I27 VanDerWaalsContact O-CG1 3.25Å; M23-I27 WeakPolarHBondContact O-CG1 3.48Å; M23-I27 PolarHBondContact O-N 3.16Å; R24-I27 PolarHBondContact O-N 3.23Å; I27-L29 PolarHBondContact O-N 3.36Å; I27-F30 CarbonylContact O-C 3.5Å; I27-F30 WeakPolarHBondContact O-CA 3.27Å; I27-F30 WeakPolarHBondContact O-CB 2.93Å; I27-F30 PolarHBondContact O-N 2.75Å; I27-F30 VanDerWaalsContact O-N 3.11Å; I27-E31 HydrophobicContact CG2-CG 4.41Å; I27-E31 WeakPolarHBondContact O-CG 3.3Å; I27-E31 PolarHBondContact O-N 3.35Å
28	L	59.4	Low	57.6	Low	96 Å²	96	100.2 Å²	100.2	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-38.3	177.4	-70.3	171.9	0	0	0	112.3	R24 K25 F30 E31 H32	R24-L28 HydrophobicContact CG-CD1 4.3Å; R24-L28 WeakPolarHBondContact O-CB 3.42Å; R24-L28 VanDerWaalsContact O-CG 3.29Å; R24-L28 WeakPolarHBondContact O-CG 3.1Å; R24-L28 PolarHBondContact O-N 2.99Å; K25-L28 PolarHBondContact O-N 3.43Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-E31 PolarHBondContact O-N 2.87Å; L28-H32 VanDerWaalsContact O-CB 3.22Å; L28-H32 WeakPolarHBondContact O-CB 3.29Å; L28-H32 PolarHBondContact O-N 3.3Å
29	L	58.4	Low	57.7	Low	117 Å²	117	103 Å²	103	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-37.7	171	-75.7	167.5	0	0	0	111	K25 A26 I27 T33	K25-L29 VanDerWaalsContact O-CB 3.3Å; K25-L29 WeakPolarHBondContact O-CB 3.46Å; K25-L29 VanDerWaalsContact O-CG 3.23Å; K25-L29 WeakPolarHBondContact O-CG 3.32Å; K25-L29 PolarHBondContact O-N 3.39Å; A26-L29 PolarHBondContact O-N 2.89Å; I27-L29 PolarHBondContact O-N 3.36Å; L29-T33 VanDerWaalsContact O-CB 3.28Å; L29-T33 WeakPolarHBondContact O-CB 3.47Å; L29-T33 WeakPolarHBondContact O-CG2 3.24Å; L29-T33 PolarHBondContact O-N 3.03Å; L29-T33 PolarHBondContact O-OG1 2.93Å
30	F	60.5	Low	57.5	Low	136 Å²	136	107 Å²	107	60%	0.596	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-44.8	175.7	-169.4	-97.8	0	0	0	111.5	A26 I27 L28 T33 F34	A26-F30 VanDerWaalsContact O-CB 3.22Å; A26-F30 WeakPolarHBondContact O-CB 3.46Å; A26-F30 PolarHBondContact O-N 3.06Å; I27-F30 CarbonylContact O-C 3.5Å; I27-F30 WeakPolarHBondContact O-CA 3.27Å; I27-F30 WeakPolarHBondContact O-CB 2.93Å; I27-F30 PolarHBondContact O-N 2.75Å; I27-F30 VanDerWaalsContact O-N 3.11Å; L28-F30 VanDerWaalsContact C-N 3.31Å; F30-T33 WeakPolarHBondContact CA-OG1 3.34Å; F30-T33 PolarHBondContact O-N 3.48Å; F30-T33 PolarHBondContact O-OG1 3.47Å; F30-F34 HydrophobicContact CE1-CD2 4.34Å; F30-F34 HydrophobicContact CZ-CD2 4.44Å; F30-F34 WeakPolarHBondContact O-CA 3.47Å; F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 2.88Å
31	E	53.9	Low	57.2	Low	118 Å²	118	105.4 Å²	105.4	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-40.2	176.4	-73.8	-173.5	170.6	0	0	111.8	I27 L28 F34 S35	I27-E31 HydrophobicContact CG2-CG 4.41Å; I27-E31 WeakPolarHBondContact O-CG 3.3Å; I27-E31 PolarHBondContact O-N 3.35Å; L28-E31 PolarHBondContact O-N 2.87Å; E31-F34 PolarHBondContact O-N 2.72Å; E31-S35 WeakPolarHBondContact O-CB 3.36Å; E31-S35 PolarHBondContact O-N 3.03Å
32	H	55.4	Low	56.7	Low	111 Å²	111	104.6 Å²	104.6	51%	0.514	52%	0.52	S	S	.	.	H	α-helix	trans	-71.8	-35.5	178	-164.2	-112.7	0	0	0	112.2	L28 K36	L28-H32 VanDerWaalsContact O-CB 3.22Å; L28-H32 WeakPolarHBondContact O-CB 3.29Å; L28-H32 PolarHBondContact O-N 3.3Å; H32-K36 WeakPolarHBondContact CE1-CE 3.39Å; H32-K36 PolarHBondContact CE1-NZ 2.79Å; H32-K36 VanDerWaalsContact CE1-NZ 3.35Å; H32-K36 WeakPolarHBondContact O-CB 3.46Å; H32-K36 VanDerWaalsContact O-CG 3.28Å; H32-K36 WeakPolarHBondContact O-CG 3.32Å; H32-K36 PolarHBondContact O-N 3.2Å; H32-K36 VanDerWaalsContact O-N 3.09Å
33	T	55.4	Low	56.4	Low	80 Å²	80	99.5 Å²	99.5	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-71.8	-38	171.8	51.5	0	0	0	0	111.5	L29 F30 C37	L29-T33 VanDerWaalsContact O-CB 3.28Å; L29-T33 WeakPolarHBondContact O-CB 3.47Å; L29-T33 WeakPolarHBondContact O-CG2 3.24Å; L29-T33 PolarHBondContact O-N 3.03Å; L29-T33 PolarHBondContact O-OG1 2.93Å; F30-T33 WeakPolarHBondContact CA-OG1 3.34Å; F30-T33 PolarHBondContact O-N 3.48Å; F30-T33 PolarHBondContact O-OG1 3.47Å; T33-C37 WeakPolarHBondContact O-CB 3.44Å; T33-C37 PolarHBondContact O-N 3.45Å
34	F	55.9	Low	55.9	Low	119 Å²	119	97.7 Å²	97.7	52%	0.522	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-45.4	176.6	-165.4	-95.1	0	0	0	110.9	F30 E31 C37 V38	F30-F34 HydrophobicContact CE1-CD2 4.34Å; F30-F34 HydrophobicContact CZ-CD2 4.44Å; F30-F34 WeakPolarHBondContact O-CA 3.47Å; F30-F34 WeakPolarHBondContact O-CB 3.41Å; F30-F34 PolarHBondContact O-N 2.88Å; E31-F34 PolarHBondContact O-N 2.72Å; F34-C37 CarbonylContact O-C 3.55Å; F34-C37 WeakPolarHBondContact O-CB 3.35Å; F34-C37 PolarHBondContact O-N 3.16Å; F34-C37 VanDerWaalsContact O-N 3.13Å; F34-V38 HydrophobicContact CD1-CG2 3.84Å; F34-V38 HydrophobicContact CE1-CG2 3.65Å; F34-V38 HydrophobicContact CZ-CG2 4.24Å; F34-V38 WeakPolarHBondContact O-CB 3.5Å; F34-V38 VanDerWaalsContact O-CG2 3.28Å; F34-V38 WeakPolarHBondContact O-CG2 3.45Å; F34-V38 PolarHBondContact O-N 3.12Å
35	S	61	Low	55.6	Low	62 Å²	62	92.8 Å²	92.8	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-49.4	175.2	-168.4	0	0	0	0	111.2	E31 C37 V38 D39	E31-S35 WeakPolarHBondContact O-CB 3.36Å; E31-S35 PolarHBondContact O-N 3.03Å; S35-C37 VanDerWaalsContact C-N 3.26Å; S35-C37 PolarHBondContact O-N 3.32Å; S35-V38 PolarHBondContact O-N 3.49Å; S35-V38 VanDerWaalsContact O-N 3.14Å; S35-D39 PolarHBondContact O-N 2.63Å
36	K	52.4	Low	55	Low	128 Å²	128	87.7 Å²	87.7	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-60.4	-34.1	173.7	-74.9	179.7	175.8	-175.1	0	113.3	H32 K40	H32-K36 WeakPolarHBondContact CE1-CE 3.39Å; H32-K36 PolarHBondContact CE1-NZ 2.79Å; H32-K36 VanDerWaalsContact CE1-NZ 3.35Å; H32-K36 WeakPolarHBondContact O-CB 3.46Å; H32-K36 VanDerWaalsContact O-CG 3.28Å; H32-K36 WeakPolarHBondContact O-CG 3.32Å; H32-K36 PolarHBondContact O-N 3.2Å; H32-K36 VanDerWaalsContact O-N 3.09Å; K36-K40 VanDerWaalsContact O-CB 3.24Å; K36-K40 WeakPolarHBondContact O-CB 3.31Å; K36-K40 PolarHBondContact O-N 3.37Å
37	C	48.3	Very low	54.5	Low	53 Å²	53	92 Å²	92	36%	0.358	48%	0.482	S	S	.	.	H	α-helix	trans	-73.5	-37.2	177.9	-153	0	0	0	0	111.1	T33 F34 S35 M41	T33-C37 WeakPolarHBondContact O-CB 3.44Å; T33-C37 PolarHBondContact O-N 3.45Å; F34-C37 CarbonylContact O-C 3.55Å; F34-C37 WeakPolarHBondContact O-CB 3.35Å; F34-C37 PolarHBondContact O-N 3.16Å; F34-C37 VanDerWaalsContact O-N 3.13Å; S35-C37 VanDerWaalsContact C-N 3.26Å; S35-C37 PolarHBondContact O-N 3.32Å; C37-M41 HydrophobicContact CB-CE 4.12Å; C37-M41 VanDerWaalsContact O-CB 3.24Å; C37-M41 WeakPolarHBondContact O-CB 3.38Å; C37-M41 VanDerWaalsContact O-CE 3.3Å; C37-M41 WeakPolarHBondContact O-CE 3.33Å; C37-M41 VanDerWaalsContact O-CG 3.3Å; C37-M41 WeakPolarHBondContact O-CG 3.47Å; C37-M41 PolarHBondContact O-N 3.45Å
38	V	59.4	Low	53.5	Low	56 Å²	56	89 Å²	89	34%	0.339	47%	0.47	S	S	.	.	H	α-helix	trans	-68.4	-44	174.1	171.8	0	0	0	0	110.7	F34 S35 K40 M41 S42	F34-V38 HydrophobicContact CD1-CG2 3.84Å; F34-V38 HydrophobicContact CE1-CG2 3.65Å; F34-V38 HydrophobicContact CZ-CG2 4.24Å; F34-V38 WeakPolarHBondContact O-CB 3.5Å; F34-V38 VanDerWaalsContact O-CG2 3.28Å; F34-V38 WeakPolarHBondContact O-CG2 3.45Å; F34-V38 PolarHBondContact O-N 3.12Å; S35-V38 PolarHBondContact O-N 3.49Å; S35-V38 VanDerWaalsContact O-N 3.14Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.76Å; V38-M41 HydrophobicContact CG2-CE 4.39Å; V38-M41 PolarHBondContact O-N 3.25Å; V38-S42 VanDerWaalsContact O-CB 3.28Å; V38-S42 WeakPolarHBondContact O-CB 3.36Å; V38-S42 PolarHBondContact O-N 3.49Å; V38-S42 PolarHBondContact O-OG 3.1Å
39	D	55.3	Low	52.8	Low	102 Å²	102	90.9 Å²	90.9	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-41.4	175.9	-70.2	-27.3	0	0	0	111.2	S35 S42 A43	S35-D39 PolarHBondContact O-N 2.63Å; D39-S42 PolarHBondContact O-N 3.47Å; D39-A43 WeakPolarHBondContact O-CB 3.35Å; D39-A43 PolarHBondContact O-N 3.11Å
40	K	53	Low	52.5	Low	139 Å²	139	92.7 Å²	92.7	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-67.9	-43.5	175.6	-169.2	171.3	-178.3	178.9	0	112.2	K36 V38 S42 A43 D44	K36-K40 VanDerWaalsContact O-CB 3.24Å; K36-K40 WeakPolarHBondContact O-CB 3.31Å; K36-K40 PolarHBondContact O-N 3.37Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.76Å; K40-S42 VanDerWaalsContact C-N 3.3Å; K40-S42 PolarHBondContact O-N 3.43Å; K40-A43 PolarHBondContact O-N 3.49Å; K40-D44 WeakPolarHBondContact O-CB 3.42Å; K40-D44 VanDerWaalsContact O-CG 3.25Å; K40-D44 PolarHBondContact O-N 2.62Å
41	M	47.4	Very low	51.9	Low	66 Å²	66	88.8 Å²	88.8	33%	0.325	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-38.9	173	-82.7	-175.6	-80.9	0	0	111.5	C37 V38 D44 I45 V62	C37-M41 HydrophobicContact CB-CE 4.12Å; C37-M41 VanDerWaalsContact O-CB 3.24Å; C37-M41 WeakPolarHBondContact O-CB 3.38Å; C37-M41 VanDerWaalsContact O-CE 3.3Å; C37-M41 WeakPolarHBondContact O-CE 3.33Å; C37-M41 VanDerWaalsContact O-CG 3.3Å; C37-M41 WeakPolarHBondContact O-CG 3.47Å; C37-M41 PolarHBondContact O-N 3.45Å; V38-M41 HydrophobicContact CG2-CE 4.39Å; V38-M41 PolarHBondContact O-N 3.25Å; M41-D44 PolarHBondContact O-N 3.04Å; M41-I45 VanDerWaalsContact O-CB 3.25Å; M41-I45 WeakPolarHBondContact O-CB 3.49Å; M41-I45 WeakPolarHBondContact O-CD1 3.34Å; M41-I45 WeakPolarHBondContact O-CG1 3.49Å; M41-I45 PolarHBondContact O-N 2.91Å; M41-V62 HydrophobicContact SD-CG2 4.22Å
42	S	53.4	Low	51.2	Low	69 Å²	69	86.5 Å²	86.5	48%	0.483	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-41.7	176.9	-55.8	0	0	0	0	111.1	V38 D39 K40 G46	V38-S42 VanDerWaalsContact O-CB 3.28Å; V38-S42 WeakPolarHBondContact O-CB 3.36Å; V38-S42 PolarHBondContact O-N 3.49Å; V38-S42 PolarHBondContact O-OG 3.1Å; D39-S42 PolarHBondContact O-N 3.47Å; K40-S42 VanDerWaalsContact C-N 3.3Å; K40-S42 PolarHBondContact O-N 3.43Å; S42-G46 PolarHBondContact O-N 2.8Å
43	A	50.9	Low	50.6	Low	47 Å²	47	84.5 Å²	84.5	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-67.2	-40.1	175.3	0	0	0	0	0	112.6	D39 K40 G46 K47	D39-A43 WeakPolarHBondContact O-CB 3.35Å; D39-A43 PolarHBondContact O-N 3.11Å; K40-A43 PolarHBondContact O-N 3.49Å; A43-G46 PolarHBondContact O-N 2.93Å; A43-K47 WeakPolarHBondContact O-CG 3.41Å; A43-K47 PolarHBondContact O-N 3.47Å
44	D	45.4	Very low	49.9	Very low	79 Å²	79	89.3 Å²	89.3	42%	0.422	51%	0.505	S	S	.	.	H	α-helix	trans	-74.6	-36.1	-179.8	-69.7	-20.9	0	0	0	111.6	K40 M41 K47 A48	K40-D44 WeakPolarHBondContact O-CB 3.42Å; K40-D44 VanDerWaalsContact O-CG 3.25Å; K40-D44 PolarHBondContact O-N 2.62Å; M41-D44 PolarHBondContact O-N 3.04Å; D44-K47 PolarHBondContact O-N 3.21Å; D44-A48 VanDerWaalsContact O-CB 3.25Å; D44-A48 WeakPolarHBondContact O-CB 3.3Å; D44-A48 PolarHBondContact O-N 2.82Å
45	I	53.6	Low	49.2	Very low	80 Å²	80	93 Å²	93	41%	0.41	52%	0.521	S	S	.	.	H	α-helix	trans	-64.6	-43.2	168.4	-68.8	164.7	0	0	0	110.1	M41 K47 A48 L49 V58	M41-I45 VanDerWaalsContact O-CB 3.25Å; M41-I45 WeakPolarHBondContact O-CB 3.49Å; M41-I45 WeakPolarHBondContact O-CD1 3.34Å; M41-I45 WeakPolarHBondContact O-CG1 3.49Å; M41-I45 PolarHBondContact O-N 2.91Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.12Å; I45-A48 PolarHBondContact O-N 3.33Å; I45-L49 HydrophobicContact CG2-CD1 3.76Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.05Å; I45-V58 HydrophobicContact CG1-CG1 4.32Å
46	G	51.2	Low	48.4	Very low	32 Å²	32	94.5 Å²	94.5	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-58	-44.3	176	0	0	0	0	0	112.5	S42 A43 I50	S42-G46 PolarHBondContact O-N 2.8Å; A43-G46 PolarHBondContact O-N 2.93Å; G46-I50 WeakPolarHBondContact O-CG1 3.33Å; G46-I50 PolarHBondContact O-N 3.23Å
47	K	50.2	Low	47.8	Very low	148 Å²	148	95.1 Å²	95.1	64%	0.643	54%	0.542	S	S	*	.	H	α-helix	trans	-68	-39.5	174.7	-71.2	170.6	-174.8	172.7	0	112.7	A43 D44 I45 I50 G51	A43-K47 WeakPolarHBondContact O-CG 3.41Å; A43-K47 PolarHBondContact O-N 3.47Å; D44-K47 PolarHBondContact O-N 3.21Å; I45-K47 VanDerWaalsContact C-N 3.35Å; I45-K47 PolarHBondContact O-N 3.12Å; K47-I50 PolarHBondContact O-N 2.92Å; K47-G51 PolarHBondContact O-N 3.05Å
48	A	42.4	Very low	47.7	Very low	30 Å²	30	95.5 Å²	95.5	25%	0.248	54%	0.543	C	S	.	.	H	α-helix	trans	-69	-32.2	179.4	0	0	0	0	0	113.1	D44 I45 G51	D44-A48 VanDerWaalsContact O-CB 3.25Å; D44-A48 WeakPolarHBondContact O-CB 3.3Å; D44-A48 PolarHBondContact O-N 2.82Å; I45-A48 PolarHBondContact O-N 3.33Å; A48-G51 PolarHBondContact O-N 3.45Å
49	L	46.5	Very low	47	Very low	137 Å²	137	100.1 Å²	100.1	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-72.4	-32.4	176.1	-72.2	172.6	0	0	0	112.7	I45 G51	I45-L49 HydrophobicContact CG2-CD1 3.76Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 3.05Å; L49-G51 VanDerWaalsContact C-N 3.28Å
50	I	52.1	Low	46.4	Very low	154 Å²	154	103.2 Å²	103.2	79%	0.79	58%	0.581	S	S	*	*	H	α-helix	trans	-69.6	-29.8	173	-62.5	165.5	0	0	0	110.8	G46 K47	G46-I50 WeakPolarHBondContact O-CG1 3.33Å; G46-I50 PolarHBondContact O-N 3.23Å; K47-I50 PolarHBondContact O-N 2.92Å
51	G	46	Very low	45.7	Very low	55 Å²	55	100.5 Å²	100.5	57%	0.567	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	3.9	-178.3	0	0	0	0	0	116.7	K47 A48 L49 V53	K47-G51 PolarHBondContact O-N 3.05Å; A48-G51 PolarHBondContact O-N 3.45Å; L49-G51 VanDerWaalsContact C-N 3.28Å; G51-V53 VanDerWaalsContact C-N 3.27Å; G51-V53 PolarHBondContact O-N 3.15Å
52	G	40.1	Very low	45.6	Very low	69 Å²	69	101.6 Å²	101.6	71%	0.711	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	64	23.9	173.4	0	0	0	0	0	115.8
53	V	41.9	Very low	44.8	Very low	70 Å²	70	103.8 Å²	103.8	42%	0.424	61%	0.609	S	S	.	*			trans	-81.5	129.1	-180	-173.2	0	0	0	0	110.5	G51 E57	G51-V53 VanDerWaalsContact C-N 3.27Å; G51-V53 PolarHBondContact O-N 3.15Å; V53-E57 HydrophobicContact CG1-CB 4.26Å; V53-E57 WeakPolarHBondContact CG1-OE2 3.25Å
54	K	41.2	Very low	44.4	Very low	181 Å²	181	108.3 Å²	108.3	79%	0.787	63%	0.625	S	S	*	*			trans	-63	134.5	-174.3	-66.5	173	-177.9	170	0	110.8	A56 E57	K54-A56 PolarHBondContact O-N 3.34Å; K54-E57 PolarHBondContact O-N 3.43Å; K54-E57 VanDerWaalsContact O-N 3.16Å
55	K	40.9	Very low	44	Very low	195 Å²	195	108.5 Å²	108.5	85%	0.848	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.8	-13.8	-176.9	-161.3	173.7	-176.8	175.2	0	117.7
56	A	44.9	Very low	43.5	Very low	94 Å²	94	110.6 Å²	110.6	78%	0.777	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-19.5	-179.6	0	0	0	0	0	114.3	K54	K54-A56 PolarHBondContact O-N 3.34Å
57	E	40.6	Very low	43.3	Very low	141 Å²	141	111.8 Å²	111.8	66%	0.659	66%	0.663	S	S	*	*	S	Bend	trans	-93.6	-15.3	-176.7	-70.2	178.7	161.9	0	0	113.9	V53 K54 L59	V53-E57 HydrophobicContact CG1-CB 4.26Å; V53-E57 WeakPolarHBondContact CG1-OE2 3.25Å; K54-E57 PolarHBondContact O-N 3.43Å; K54-E57 VanDerWaalsContact O-N 3.16Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.1Å
58	V	45.1	Very low	43.1	Very low	62 Å²	62	112.1 Å²	112.1	38%	0.376	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-74.3	-21.1	-173.3	-177.1	0	0	0	0	113.2	I45	I45-V58 HydrophobicContact CG1-CG1 4.32Å
59	L	45	Very low	43.5	Very low	153 Å²	153	116.9 Å²	116.9	80%	0.801	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-85.2	-8.6	-176.1	-81.4	163.9	0	0	0	115	E57	E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.1Å
60	D	42.1	Very low	44.2	Very low	166 Å²	166	113.8 Å²	113.8	89%	0.888	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-93.2	1	-179.3	-111.5	-1.2	0	0	0	113.9
61	A	39.8	Very low	45	Very low	83 Å²	83	108.8 Å²	108.8	69%	0.686	68%	0.678	S	S	*	*			trans	-94	-2	-174.9	0	0	0	0	0	115.7	C63	A61-C63 PolarHBondContact O-N 3.36Å
62	V	44.3	Very low	46.8	Very low	88 Å²	88	109.1 Å²	109.1	53%	0.533	67%	0.669	S	S	.	*	S	Bend	trans	-90.1	87.6	-179.1	-173	0	0	0	0	110.8	M41 I64	M41-V62 HydrophobicContact SD-CG2 4.22Å; V62-I64 PolarHBondContact O-N 3.37Å
63	C	36.2	Very low	48.8	Very low	116 Å²	116	109 Å²	109	78%	0.784	65%	0.648	S	S	*	*			trans	45.4	70.9	148.9	-60	0	0	0	0	117.8	A61	A61-C63 PolarHBondContact O-N 3.36Å
64	I	43.2	Very low	50.8	Low	142 Å²	142	114.5 Å²	114.5	73%	0.728	66%	0.661	S	S	*	*			trans	-117.7	121.2	147.2	-59.2	178.2	0	0	0	106.4	V62	V62-I64 PolarHBondContact O-N 3.37Å
65	A	37.5	Very low	52.8	Low	83 Å²	83	106.5 Å²	106.5	69%	0.686	63%	0.628	S	S	*	*			trans	-46.7	138.8	174.3	0	0	0	0	0	110.5	A67	A65-A67 PolarHBondContact O-N 2.86Å
66	P	42.1	Very low	54.9	Low	124 Å²	124	105.4 Å²	105.4	81%	0.805	63%	0.626	S	S	*	*			trans	-57.3	112.7	-172.9	21.4	-31.6	0	0	0	110.2	Q68	P66-Q68 PolarHBondContact O-N 3.48Å
67	A	47.6	Very low	56.7	Low	56 Å²	56	107.5 Å²	107.5	46%	0.463	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-62.7	129.9	172.8	0	0	0	0	0	108.6	A65	A65-A67 PolarHBondContact O-N 2.86Å
68	Q	45.3	Very low	58.8	Low	156 Å²	156	103.1 Å²	103.1	73%	0.729	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-49.9	130.7	176.9	-67	-70.5	-15.2	0	0	110	P66 G70 A71	P66-Q68 PolarHBondContact O-N 3.48Å; Q68-G70 PolarHBondContact O-N 3.19Å; Q68-G70 VanDerWaalsContact O-N 3.1Å; Q68-A71 PolarHBondContact O-N 3.34Å; Q68-A71 VanDerWaalsContact O-N 3.16Å
69	P	51.1	Low	60.6	Low	129 Å²	129	108.3 Å²	108.3	84%	0.838	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	117.6	-174.9	21.4	-30	0	0	0	109.8
70	G	61.1	Low	62.5	Low	72 Å²	72	104.6 Å²	104.6	74%	0.742	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.8	-2.3	-179.5	0	0	0	0	0	115.8	Q68 T72	Q68-G70 PolarHBondContact O-N 3.19Å; Q68-G70 VanDerWaalsContact O-N 3.1Å; G70-T72 PolarHBondContact O-N 2.88Å
71	A	69.9	Low	64.6	Low	50 Å²	50	99.7 Å²	99.7	41%	0.413	58%	0.582	S	S	.	*			trans	-66.6	102.9	174.1	0	0	0	0	0	111.4	Q68	Q68-A71 PolarHBondContact O-N 3.34Å; Q68-A71 VanDerWaalsContact O-N 3.16Å
72	T	82.3	Confident	66.8	Low	62 Å²	62	97.5 Å²	97.5	38%	0.38	56%	0.559	S	S	.	*			trans	-83.6	124.9	169.4	58.9	0	0	0	0	109.9	G70 R74 Q83	G70-T72 PolarHBondContact O-N 2.88Å; T72-R74 PolarHBondContact O-N 3.38Å; T72-Q83 HydrophobicContact CG2-CG 4.42Å
73	Y	82.1	Confident	68.9	Low	66 Å²	66	100.7 Å²	100.7	26%	0.259	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.5	113.2	171.7	-59.1	-81.8	0	0	0	109.1	S81 N82 Q83 R85	Y73-S81 CarbonylContact O-C 3.41Å; Y73-S81 WeakPolarHBondContact O-CA 3.02Å; Y73-N82 WeakPolarHBondContact CA-O 3.32Å; Y73-N82 WeakPolarHBondContact CB-O 3.07Å; Y73-N82 PolarHBondContact N-O 3.36Å; Y73-N82 PolarHBondContact O-N 2.97Å; Y73-Q83 WeakPolarHBondContact CD2-O 3.29Å; Y73-Q83 WeakPolarHBondContact CE2-O 3.4Å; Y73-R85 HydrophobicContact CD1-CB 4.45Å; Y73-R85 HydrophobicContact CD2-CB 4.09Å; Y73-R85 HydrophobicContact CE1-CB 4.29Å; Y73-R85 HydrophobicContact CE1-CG 4.44Å; Y73-R85 HydrophobicContact CE2-CB 3.89Å; Y73-R85 HydrophobicContact CG-CB 4.36Å
74	R	84.4	Confident	71.3	Confident	185 Å²	185	100.6 Å²	100.6	70%	0.698	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.5	146.8	-178.9	-56.9	-171.7	175.7	178	-1.4	110.7	T72 L88	T72-R74 PolarHBondContact O-N 3.38Å; R74-L88 WeakPolarHBondContact O-CD2 3.4Å
75	C	84.2	Confident	73.3	Confident	14 Å²	14	101.9 Å²	101.9	10%	0.095	55%	0.55	C	S	.	.			trans	-77.4	142.5	169.5	-177.4	0	0	0	0	110.1	F77 C78 Y80 L88 H91 M92 H95	C75-F77 PolarHBondContact SG-N 2.7Å; C75-C78 WeakPolarHBondContact CB-O 3.46Å; C75-C78 VanDerWaalsContact O-O 3.12Å; C75-Y80 WeakPolarHBondContact CB-O 3.16Å; C75-Y80 PolarHBondContact N-O 2.99Å; C75-L88 HydrophobicContact CB-CD1 3.95Å; C75-H91 WeakPolarHBondContact CB-NE2 3.48Å; C75-H91 PolarHBondContact SG-NE2 3.34Å; C75-M92 HydrophobicContact CB-SD 4.4Å; C75-M92 VanDerWaalsContact SG-SD 3.62Å; C75-H95 PolarHBondContact SG-CD2 3.13Å; C75-H95 PolarHBondContact SG-NE2 3.46Å
76	E	83.8	Confident	75.6	Confident	172 Å²	172	104.6 Å²	104.6	80%	0.804	54%	0.543	S	S	*	.	S	Bend	trans	-81	-20.2	177.4	-66.7	171.5	-167.4	0	0	112.9
77	F	83	Confident	77.7	Confident	138 Å²	138	99.9 Å²	99.9	61%	0.605	51%	0.511	S	S	*	.	S	Bend	trans	-108.3	-6.1	-173.4	-57.2	-67.7	0	0	0	113.6	C75 M92 H95	C75-F77 PolarHBondContact SG-N 2.7Å; F77-M92 HydrophobicContact CD2-CE 3.65Å; F77-M92 HydrophobicContact CE2-CE 3.58Å; F77-H95 WeakPolarHBondContact CB-CE1 3.25Å; F77-H95 VanDerWaalsContact CB-ND1 3.3Å; F77-H95 WeakPolarHBondContact CB-ND1 3.11Å; F77-H95 HydrophobicContact CD2-CB 4Å; F77-H95 AromaticContact CD2-CG 3.77Å
78	C	84.5	Confident	79.5	Confident	48 Å²	48	98.3 Å²	98.3	32%	0.324	50%	0.495	S	S	.	.	S	Bend	trans	-160.1	171.8	174.6	72.3	0	0	0	0	112.3	C75 Y80 H91 H95	C75-C78 WeakPolarHBondContact CB-O 3.46Å; C75-C78 VanDerWaalsContact O-O 3.12Å; C78-Y80 PolarHBondContact O-N 3.13Å; C78-Y80 WeakPolarHBondContact SG-CB 3.44Å; C78-H91 PolarHBondContact SG-CE1 3.05Å; C78-H91 PolarHBondContact SG-NE2 3.45Å; C78-H95 PolarHBondContact SG-NE2 3.31Å; C78-H95 VanDerWaalsContact SG-NE2 3.38Å
79	D	83.7	Confident	81.2	Confident	172 Å²	172	93.6 Å²	93.6	92%	0.92	48%	0.482	S	S	*	.	S	Bend	trans	-71.4	9.2	-178.1	-54	-39.3	0	0	0	114.7	S81	D79-S81 PolarHBondContact O-N 3.33Å
80	Y	83.7	Confident	82.6	Confident	75 Å²	75	95.2 Å²	95.2	29%	0.294	47%	0.472	S	S	.	.			trans	-71.4	127.4	179.8	-177.5	-94.2	0	0	0	110.8	C75 C78 N82 L88 H91	C75-Y80 WeakPolarHBondContact CB-O 3.16Å; C75-Y80 PolarHBondContact N-O 2.99Å; C78-Y80 PolarHBondContact O-N 3.13Å; C78-Y80 WeakPolarHBondContact SG-CB 3.44Å; Y80-N82 HydrophobicContact CE1-CB 3.94Å; Y80-N82 PolarHBondContact OH-ND2 2.85Å; Y80-L88 HydrophobicContact CD1-CD1 4.01Å; Y80-L88 HydrophobicContact CE1-CD1 4.32Å; Y80-H91 WeakPolarHBondContact CB-CE1 3.29Å; Y80-H91 HydrophobicContact CD1-CB 3.69Å; Y80-H91 AromaticContact CD1-CD2 3.4Å; Y80-H91 WeakPolarHBondContact CD1-CD2 3.3Å; Y80-H91 AromaticContact CD1-CE1 3.85Å; Y80-H91 AromaticContact CD1-CG 3.18Å; Y80-H91 AromaticContact CD1-ND1 3.49Å; Y80-H91 WeakPolarHBondContact CD1-ND1 2.97Å; Y80-H91 AromaticContact CD1-NE2 3.81Å; Y80-H91 AromaticContact CD2-ND1 3.85Å; Y80-H91 HydrophobicContact CE1-CB 3.39Å; Y80-H91 AromaticContact CE1-CG 3.48Å; Y80-H91 VanDerWaalsContact CE1-CG 3.48Å; Y80-H91 AromaticContact CE1-ND1 3.96Å; Y80-H91 HydrophobicContact CG-CB 4.45Å; Y80-H91 AromaticContact CG-CD2 3.92Å; Y80-H91 AromaticContact CG-CE1 3.56Å; Y80-H91 AromaticContact CG-CG 3.65Å; Y80-H91 AromaticContact CG-ND1 3.41Å; Y80-H91 AromaticContact CG-NE2 3.86Å
81	S	87.3	Confident	83.6	Confident	62 Å²	62	93 Å²	93	43%	0.434	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.8	172.8	62.7	0	0	0	0	110.8	Y73 D79	Y73-S81 CarbonylContact O-C 3.41Å; Y73-S81 WeakPolarHBondContact O-CA 3.02Å; D79-S81 PolarHBondContact O-N 3.33Å
82	N	85.7	Confident	84	Confident	38 Å²	38	93.4 Å²	93.4	20%	0.203	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.2	179.6	-155.7	-59.3	0	0	0	111	Y73 Y80 K84 L87	Y73-N82 WeakPolarHBondContact CA-O 3.32Å; Y73-N82 WeakPolarHBondContact CB-O 3.07Å; Y73-N82 PolarHBondContact N-O 3.36Å; Y73-N82 PolarHBondContact O-N 2.97Å; Y80-N82 HydrophobicContact CE1-CB 3.94Å; Y80-N82 PolarHBondContact OH-ND2 2.85Å; N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 2.93Å; N82-K84 PolarHBondContact OD1-N 2.81Å; N82-K84 VanDerWaalsContact OD1-N 3.08Å; N82-L87 HydrophobicContact CB-CB 4.25Å; N82-L87 WeakPolarHBondContact ND2-CD1 3.33Å; N82-L87 WeakPolarHBondContact OD1-CD1 3.4Å
83	Q	87.3	Confident	83.8	Confident	154 Å²	154	97.5 Å²	97.5	72%	0.72	45%	0.449	S	S	*	.	S	Bend	trans	-70.2	-23.8	176.8	-64.7	173.7	-7	0	0	112.6	T72 Y73	T72-Q83 HydrophobicContact CG2-CG 4.42Å; Y73-Q83 WeakPolarHBondContact CD2-O 3.29Å; Y73-Q83 WeakPolarHBondContact CE2-O 3.4Å
84	K	88	Confident	83.6	Confident	115 Å²	115	97.2 Å²	97.2	50%	0.5	46%	0.456	S	S	.	.	S	Bend	trans	-103.1	123.7	-178.9	-53.8	-166.5	-179.4	-169.1	0	112	N82 Y86 L87 L88	N82-K84 VanDerWaalsContact C-N 3.27Å; N82-K84 PolarHBondContact O-N 2.93Å; N82-K84 PolarHBondContact OD1-N 2.81Å; N82-K84 VanDerWaalsContact OD1-N 3.08Å; K84-Y86 VanDerWaalsContact C-N 3.35Å; K84-Y86 HydrophobicContact CB-CD1 4.01Å; K84-Y86 HydrophobicContact CB-CE1 3.79Å; K84-Y86 HydrophobicContact CD-CE1 3.54Å; K84-Y86 HydrophobicContact CG-CE1 4.27Å; K84-Y86 PolarHBondContact O-N 3.08Å; K84-L87 HydrophobicContact CB-CB 4.36Å; K84-L87 HydrophobicContact CB-CD1 3.97Å; K84-L87 HydrophobicContact CB-CG 4.05Å; K84-L87 HydrophobicContact CD-CD1 4.27Å; K84-L87 HydrophobicContact CG-CD1 4.3Å; K84-L87 WeakPolarHBondContact O-CB 3.3Å; K84-L87 PolarHBondContact O-N 3.12Å; K84-L88 PolarHBondContact O-N 3.15Å
85	R	85.3	Confident	83.4	Confident	169 Å²	169	91.7 Å²	91.7	64%	0.638	44%	0.438	S	S	*	.	H	α-helix	trans	-56.3	-41.6	180	-174.4	175.7	178.1	148	0.8	113.5	Y73 L87 L88 A89	Y73-R85 HydrophobicContact CD1-CB 4.45Å; Y73-R85 HydrophobicContact CD2-CB 4.09Å; Y73-R85 HydrophobicContact CE1-CB 4.29Å; Y73-R85 HydrophobicContact CE1-CG 4.44Å; Y73-R85 HydrophobicContact CE2-CB 3.89Å; Y73-R85 HydrophobicContact CG-CB 4.36Å; R85-L87 VanDerWaalsContact C-N 3.27Å; R85-L87 PolarHBondContact O-N 3.26Å; R85-L88 PolarHBondContact O-N 2.97Å; R85-A89 PolarHBondContact O-N 3.03Å
86	Y	84.5	Confident	83.2	Confident	139 Å²	139	93.1 Å²	93.1	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-66.6	-28.8	179.6	76.9	-97.6	0	0	0	112.7	K84 A89 R90	K84-Y86 VanDerWaalsContact C-N 3.35Å; K84-Y86 HydrophobicContact CB-CD1 4.01Å; K84-Y86 HydrophobicContact CB-CE1 3.79Å; K84-Y86 HydrophobicContact CD-CE1 3.54Å; K84-Y86 HydrophobicContact CG-CE1 4.27Å; K84-Y86 PolarHBondContact O-N 3.08Å; Y86-A89 PolarHBondContact O-N 3.49Å; Y86-R90 WeakPolarHBondContact O-CB 3.35Å; Y86-R90 PolarHBondContact O-N 3.32Å
87	L	87.5	Confident	82.8	Confident	25 Å²	25	93.5 Å²	93.5	13%	0.131	45%	0.45	C	S	.	.	H	α-helix	trans	-71.8	-37.5	174.4	-67.5	178.6	0	0	0	110.8	N82 K84 R85 H91	N82-L87 HydrophobicContact CB-CB 4.25Å; N82-L87 WeakPolarHBondContact ND2-CD1 3.33Å; N82-L87 WeakPolarHBondContact OD1-CD1 3.4Å; K84-L87 HydrophobicContact CB-CB 4.36Å; K84-L87 HydrophobicContact CB-CD1 3.97Å; K84-L87 HydrophobicContact CB-CG 4.05Å; K84-L87 HydrophobicContact CD-CD1 4.27Å; K84-L87 HydrophobicContact CG-CD1 4.3Å; K84-L87 WeakPolarHBondContact O-CB 3.3Å; K84-L87 PolarHBondContact O-N 3.12Å; R85-L87 VanDerWaalsContact C-N 3.27Å; R85-L87 PolarHBondContact O-N 3.26Å; L87-H91 VanDerWaalsContact O-CB 3.3Å; L87-H91 WeakPolarHBondContact O-CB 3.36Å; L87-H91 PolarHBondContact O-N 3.08Å
88	L	84.8	Confident	82.8	Confident	24 Å²	24	92 Å²	92	13%	0.126	45%	0.449	C	S	.	.	H	α-helix	trans	-64.1	-48.5	169.2	-177.6	68.2	0	0	0	110.8	R74 C75 Y80 K84 R85 R90 H91 M92	R74-L88 WeakPolarHBondContact O-CD2 3.4Å; C75-L88 HydrophobicContact CB-CD1 3.95Å; Y80-L88 HydrophobicContact CD1-CD1 4.01Å; Y80-L88 HydrophobicContact CE1-CD1 4.32Å; K84-L88 PolarHBondContact O-N 3.15Å; R85-L88 PolarHBondContact O-N 2.97Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 3.4Å; L88-H91 CarbonylContact O-C 3.57Å; L88-H91 VanDerWaalsContact O-CA 3.31Å; L88-H91 WeakPolarHBondContact O-CA 3.38Å; L88-H91 VanDerWaalsContact O-CB 3.29Å; L88-H91 WeakPolarHBondContact O-CB 3.4Å; L88-H91 PolarHBondContact O-N 3.25Å; L88-M92 HydrophobicContact CD1-SD 4.34Å; L88-M92 HydrophobicContact CG-CG 4.34Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.22Å
89	A	82	Confident	82.8	Confident	56 Å²	56	96.2 Å²	96.2	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-58.1	-40.8	178.4	0	0	0	0	0	112.2	R85 Y86 H91 M92	R85-A89 PolarHBondContact O-N 3.03Å; Y86-A89 PolarHBondContact O-N 3.49Å; A89-H91 VanDerWaalsContact C-N 3.34Å; A89-M92 PolarHBondContact O-N 3.02Å
90	R	79.2	Confident	82.8	Confident	163 Å²	163	91.6 Å²	91.6	62%	0.615	44%	0.437	S	S	*	.	H	α-helix	trans	-63.8	-39.9	171.5	-174	178	70.5	-176.2	5.3	111.9	Y86 L88 K93	Y86-R90 WeakPolarHBondContact O-CB 3.35Å; Y86-R90 PolarHBondContact O-N 3.32Å; L88-R90 VanDerWaalsContact C-N 3.28Å; L88-R90 PolarHBondContact O-N 3.4Å; R90-K93 WeakPolarHBondContact O-CB 3.37Å; R90-K93 PolarHBondContact O-N 3.03Å
91	H	81.6	Confident	83.1	Confident	27 Å²	27	91.6 Å²	91.6	13%	0.125	44%	0.439	C	S	.	.	H	α-helix	trans	-65.9	-35.4	174.4	164.8	82.8	0	0	0	112.6	C75 C78 Y80 L87 L88 A89 K93 S94 H95	C75-H91 WeakPolarHBondContact CB-NE2 3.48Å; C75-H91 PolarHBondContact SG-NE2 3.34Å; C78-H91 PolarHBondContact SG-CE1 3.05Å; C78-H91 PolarHBondContact SG-NE2 3.45Å; Y80-H91 WeakPolarHBondContact CB-CE1 3.29Å; Y80-H91 HydrophobicContact CD1-CB 3.69Å; Y80-H91 AromaticContact CD1-CD2 3.4Å; Y80-H91 WeakPolarHBondContact CD1-CD2 3.3Å; Y80-H91 AromaticContact CD1-CE1 3.85Å; Y80-H91 AromaticContact CD1-CG 3.18Å; Y80-H91 AromaticContact CD1-ND1 3.49Å; Y80-H91 WeakPolarHBondContact CD1-ND1 2.97Å; Y80-H91 AromaticContact CD1-NE2 3.81Å; Y80-H91 AromaticContact CD2-ND1 3.85Å; Y80-H91 HydrophobicContact CE1-CB 3.39Å; Y80-H91 AromaticContact CE1-CG 3.48Å; Y80-H91 VanDerWaalsContact CE1-CG 3.48Å; Y80-H91 AromaticContact CE1-ND1 3.96Å; Y80-H91 HydrophobicContact CG-CB 4.45Å; Y80-H91 AromaticContact CG-CD2 3.92Å; Y80-H91 AromaticContact CG-CE1 3.56Å; Y80-H91 AromaticContact CG-CG 3.65Å; Y80-H91 AromaticContact CG-ND1 3.41Å; Y80-H91 AromaticContact CG-NE2 3.86Å; L87-H91 VanDerWaalsContact O-CB 3.3Å; L87-H91 WeakPolarHBondContact O-CB 3.36Å; L87-H91 PolarHBondContact O-N 3.08Å; L88-H91 CarbonylContact O-C 3.57Å; L88-H91 VanDerWaalsContact O-CA 3.31Å; L88-H91 WeakPolarHBondContact O-CA 3.38Å; L88-H91 VanDerWaalsContact O-CB 3.29Å; L88-H91 WeakPolarHBondContact O-CB 3.4Å; L88-H91 PolarHBondContact O-N 3.25Å; A89-H91 VanDerWaalsContact C-N 3.34Å; H91-K93 PolarHBondContact O-N 2.75Å; H91-S94 WeakPolarHBondContact O-CA 3.17Å; H91-S94 WeakPolarHBondContact O-CB 3.43Å; H91-S94 PolarHBondContact O-N 2.96Å; H91-S94 PolarHBondContact O-OG 2.95Å; H91-H95 AromaticContact CE1-NE2 3.81Å; H91-H95 AromaticContact NE2-CD2 3.68Å; H91-H95 AromaticContact NE2-NE2 3.33Å; H91-H95 PolarHBondContact NE2-NE2 3.49Å
92	M	79.7	Confident	83.1	Confident	58 Å²	58	96 Å²	96	29%	0.286	45%	0.45	S	S	.	.	H	α-helix	trans	-60.6	-27.6	176.8	-66	-53.7	-70.1	0	0	112.4	C75 F77 L88 A89 S94 H95 S96	C75-M92 HydrophobicContact CB-SD 4.4Å; C75-M92 VanDerWaalsContact SG-SD 3.62Å; F77-M92 HydrophobicContact CD2-CE 3.65Å; F77-M92 HydrophobicContact CE2-CE 3.58Å; L88-M92 HydrophobicContact CD1-SD 4.34Å; L88-M92 HydrophobicContact CG-CG 4.34Å; L88-M92 WeakPolarHBondContact O-CG 3.45Å; L88-M92 PolarHBondContact O-N 3.22Å; A89-M92 PolarHBondContact O-N 3.02Å; M92-S94 PolarHBondContact O-N 2.76Å; M92-S94 VanDerWaalsContact O-N 3.14Å; M92-H95 PolarHBondContact O-N 3.1Å; M92-S96 PolarHBondContact O-N 2.96Å
93	K	78.6	Confident	83.4	Confident	148 Å²	148	94.7 Å²	94.7	64%	0.643	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	169.6	-55.3	-172.9	178.9	-166.9	0	113.4	R90 H91 S96 K111	R90-K93 WeakPolarHBondContact O-CB 3.37Å; R90-K93 PolarHBondContact O-N 3.03Å; H91-K93 PolarHBondContact O-N 2.75Å; K93-S96 WeakPolarHBondContact CA-OG 3.3Å; K93-S96 PolarHBondContact O-OG 3.37Å; K93-K111 PolarHBondContact O-NZ 3.45Å
94	S	76.8	Confident	83.5	Confident	59 Å²	59	92.8 Å²	92.8	41%	0.413	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.8	172.3	79.9	0	0	0	0	112.6	H91 M92 K111	H91-S94 WeakPolarHBondContact O-CA 3.17Å; H91-S94 WeakPolarHBondContact O-CB 3.43Å; H91-S94 PolarHBondContact O-N 2.96Å; H91-S94 PolarHBondContact O-OG 2.95Å; M92-S94 PolarHBondContact O-N 2.76Å; M92-S94 VanDerWaalsContact O-N 3.14Å; S94-K111 VanDerWaalsContact C-NZ 3.32Å; S94-K111 PolarHBondContact O-NZ 3.24Å
95	H	79.8	Confident	83.4	Confident	69 Å²	69	91.6 Å²	91.6	32%	0.319	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-25.6	173	-69.6	-69.3	0	0	0	113.3	C75 F77 C78 H91 M92 E97	C75-H95 PolarHBondContact SG-CD2 3.13Å; C75-H95 PolarHBondContact SG-NE2 3.46Å; F77-H95 WeakPolarHBondContact CB-CE1 3.25Å; F77-H95 VanDerWaalsContact CB-ND1 3.3Å; F77-H95 WeakPolarHBondContact CB-ND1 3.11Å; F77-H95 HydrophobicContact CD2-CB 4Å; F77-H95 AromaticContact CD2-CG 3.77Å; C78-H95 PolarHBondContact SG-NE2 3.31Å; C78-H95 VanDerWaalsContact SG-NE2 3.38Å; H91-H95 AromaticContact CE1-NE2 3.81Å; H91-H95 AromaticContact NE2-CD2 3.68Å; H91-H95 AromaticContact NE2-NE2 3.33Å; H91-H95 PolarHBondContact NE2-NE2 3.49Å; M92-H95 PolarHBondContact O-N 3.1Å; H95-E97 PolarHBondContact O-N 3.05Å
96	S	79.6	Confident	83.7	Confident	45 Å²	45	85.5 Å²	85.5	32%	0.315	43%	0.428	S	S	.	.	S	Bend	trans	-67.7	134.5	172.6	62.5	0	0	0	0	110.7	M92 K93 D98 K111	M92-S96 PolarHBondContact O-N 2.96Å; K93-S96 WeakPolarHBondContact CA-OG 3.3Å; K93-S96 PolarHBondContact O-OG 3.37Å; S96-D98 PolarHBondContact O-N 2.64Å; S96-K111 PolarHBondContact O-NZ 3.18Å
97	E	76	Confident	83.8	Confident	180 Å²	180	88.3 Å²	88.3	84%	0.841	45%	0.446	S	S	*	.			trans	-71.4	-6.7	168.9	-64	-166.7	157.8	0	0	112.6	H95 R99	H95-E97 PolarHBondContact O-N 3.05Å; E97-R99 WeakPolarHBondContact O-CG 3.39Å; E97-R99 PolarHBondContact O-N 2.8Å
98	D	82.6	Confident	83.8	Confident	106 Å²	106	94.2 Å²	94.2	57%	0.567	47%	0.467	S	S	*	.			trans	-57.1	122.8	178.3	-172.6	17.8	0	0	0	112.1	S96	S96-D98 PolarHBondContact O-N 2.64Å
99	R	84.6	Confident	84	Confident	136 Å²	136	94.3 Å²	94.3	51%	0.513	47%	0.469	S	S	.	.			trans	-133.3	76.2	-177.1	-73	164.5	178.6	-131.3	13.9	107.4	E97 F101 S109 F110 K111	E97-R99 WeakPolarHBondContact O-CG 3.39Å; E97-R99 PolarHBondContact O-N 2.8Å; R99-F101 PolarHBondContact O-N 3.08Å; R99-S109 VanDerWaalsContact CB-CB 3.48Å; R99-S109 WeakPolarHBondContact CD-O 3.45Å; R99-S109 PolarHBondContact NH1-O 3.45Å; R99-S109 VanDerWaalsContact NH1-O 3.07Å; R99-S109 WeakPolarHBondContact O-CB 3.46Å; R99-F110 CarbonylContact C-O 3.58Å; R99-F110 WeakPolarHBondContact CA-O 3.5Å; R99-K111 HydrophobicContact CG-CG 4.06Å
100	P	84.8	Confident	84.2	Confident	75 Å²	75	92.9 Å²	92.9	49%	0.487	45%	0.452	S	S	.	.			trans	-67.8	-24.1	-171	23	-31.6	0	0	0	113	K102	P100-K102 PolarHBondContact O-N 2.77Å
101	F	89	Confident	84.5	Confident	76 Å²	76	89 Å²	89	33%	0.333	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	93.1	-175.1	-58	-78.8	0	0	0	111	R99 S109 F110 T112 N113 L116	R99-F101 PolarHBondContact O-N 3.08Å; F101-S109 CarbonylContact O-C 3.56Å; F101-S109 WeakPolarHBondContact O-CA 3.06Å; F101-F110 HydrophobicContact CB-CB 4.36Å; F101-F110 PolarHBondContact N-O 2.69Å; F101-F110 PolarHBondContact O-N 2.97Å; F101-T112 VanDerWaalsContact CD2-C 3.48Å; F101-N113 HydrophobicContact CD1-CB 4.01Å; F101-N113 HydrophobicContact CE1-CB 3.8Å; F101-N113 HydrophobicContact CZ-CB 4.11Å; F101-L116 HydrophobicContact CB-CB 4.01Å; F101-L116 HydrophobicContact CB-CD2 3.81Å; F101-L116 HydrophobicContact CB-CG 4.48Å
102	K	88.3	Confident	84.7	Confident	153 Å²	153	91.1 Å²	91.1	67%	0.665	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	141.9	178.1	-52.3	-167.4	178.8	176.2	0	111.4	P100 S109	P100-K102 PolarHBondContact O-N 2.77Å; K102-S109 WeakPolarHBondContact CG-OG 3.43Å
103	C	91.3	Very high	85.2	Confident	12 Å²	12	92.7 Å²	92.7	8%	0.081	47%	0.465	C	S	.	.			trans	-74.7	139.3	170.4	-172.5	0	0	0	0	110.2	M105 C106 R108 F110 L116 H119	C103-M105 PolarHBondContact SG-N 2.86Å; C103-C106 CarbonylContact C-O 3.58Å; C103-C106 WeakPolarHBondContact CB-O 3.44Å; C103-R108 WeakPolarHBondContact CB-O 3.48Å; C103-R108 PolarHBondContact N-O 3.47Å; C103-F110 HydrophobicContact CB-CE2 4.46Å; C103-L116 HydrophobicContact CB-CD1 3.83Å; C103-H119 VanDerWaalsContact SG-CD2 3.57Å; C103-H119 PolarHBondContact SG-NE2 3.06Å
104	S	89.2	Confident	85.7	Confident	114 Å²	114	89.7 Å²	89.7	80%	0.797	46%	0.462	S	S	*	.	S	Bend	trans	-80	-19.9	175.8	55.1	0	0	0	0	113.3
105	M	86.7	Confident	86.3	Confident	89 Å²	89	88.6 Å²	88.6	44%	0.438	46%	0.455	S	S	.	.	S	Bend	trans	-101.2	-9.6	-177.1	-67	177.6	-77.4	0	0	113.6	C103 I120 H123	C103-M105 PolarHBondContact SG-N 2.86Å; M105-I120 HydrophobicContact CE-CB 4.5Å; M105-I120 HydrophobicContact CE-CG1 4.48Å; M105-I120 HydrophobicContact CE-CG2 3.92Å; M105-H123 HydrophobicContact CE-CB 3.34Å; M105-H123 HydrophobicContact SD-CB 3.64Å
106	C	90.8	Very high	86.9	Confident	41 Å²	41	86.1 Å²	86.1	28%	0.277	44%	0.444	S	S	.	.	S	Bend	trans	-155.8	167.9	172.9	72.9	0	0	0	0	111.5	C103 R108 H119 H123	C103-C106 CarbonylContact C-O 3.58Å; C103-C106 WeakPolarHBondContact CB-O 3.44Å; C106-R108 PolarHBondContact O-N 2.58Å; C106-H119 VanDerWaalsContact SG-CE1 3.59Å; C106-H119 PolarHBondContact SG-NE2 3.16Å; C106-H123 PolarHBondContact SG-NE2 3.16Å; C106-H123 VanDerWaalsContact SG-NE2 3.39Å
107	E	86.9	Confident	87.5	Confident	199 Å²	199	88.3 Å²	88.3	93%	0.93	45%	0.449	S	S	*	.	S	Bend	trans	-73.3	10.5	-176.1	-60.2	176.8	178.2	0	0	114.6
108	R	87.4	Confident	88.2	Confident	149 Å²	149	82.7 Å²	82.7	56%	0.562	42%	0.424	S	S	*	.			trans	-83.9	131.3	-176.4	-66	-179.6	65.6	173.8	-0.1	111.5	C103 C106 F110	C103-R108 WeakPolarHBondContact CB-O 3.48Å; C103-R108 PolarHBondContact N-O 3.47Å; C106-R108 PolarHBondContact O-N 2.58Å; R108-F110 HydrophobicContact CB-CE2 3.81Å; R108-F110 HydrophobicContact CB-CZ 4.01Å
109	S	88.9	Confident	88.6	Confident	26 Å²	26	78.4 Å²	78.4	18%	0.182	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.1	175.2	-45.3	0	0	0	0	111.5	R99 F101 K102	R99-S109 VanDerWaalsContact CB-CB 3.48Å; R99-S109 WeakPolarHBondContact CD-O 3.45Å; R99-S109 PolarHBondContact NH1-O 3.45Å; R99-S109 VanDerWaalsContact NH1-O 3.07Å; R99-S109 WeakPolarHBondContact O-CB 3.46Å; F101-S109 CarbonylContact O-C 3.56Å; F101-S109 WeakPolarHBondContact O-CA 3.06Å; K102-S109 WeakPolarHBondContact CG-OG 3.43Å
110	F	87.4	Confident	89	Confident	25 Å²	25	73 Å²	73	11%	0.11	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.9	-172.2	-62.3	-91.8	0	0	0	111.7	R99 F101 C103 R108 S115 L116 H119	R99-F110 CarbonylContact C-O 3.58Å; R99-F110 WeakPolarHBondContact CA-O 3.5Å; F101-F110 HydrophobicContact CB-CB 4.36Å; F101-F110 PolarHBondContact N-O 2.69Å; F101-F110 PolarHBondContact O-N 2.97Å; C103-F110 HydrophobicContact CB-CE2 4.46Å; R108-F110 HydrophobicContact CB-CE2 3.81Å; R108-F110 HydrophobicContact CB-CZ 4.01Å; F110-S115 WeakPolarHBondContact CB-OG 3.01Å; F110-L116 HydrophobicContact CB-CB 4.13Å; F110-L116 HydrophobicContact CD2-CB 3.99Å; F110-L116 HydrophobicContact CD2-CD1 3.65Å; F110-L116 HydrophobicContact CD2-CG 4.44Å; F110-L116 HydrophobicContact CE2-CD1 3.95Å; F110-L116 HydrophobicContact CG-CB 4.18Å; F110-H119 HydrophobicContact CE1-CB 3.76Å; F110-H119 HydrophobicContact CE2-CB 3.85Å; F110-H119 AromaticContact CE2-CD2 3.2Å; F110-H119 WeakPolarHBondContact CE2-CD2 3.48Å; F110-H119 AromaticContact CE2-CG 3.57Å; F110-H119 AromaticContact CE2-NE2 3.89Å; F110-H119 HydrophobicContact CZ-CB 3.31Å; F110-H119 AromaticContact CZ-CD2 3.32Å; F110-H119 WeakPolarHBondContact CZ-CD2 3.44Å; F110-H119 AromaticContact CZ-CG 3.15Å; F110-H119 AromaticContact CZ-ND1 3.78Å; F110-H119 AromaticContact CZ-NE2 3.96Å
111	K	85.2	Confident	89.4	Confident	82 Å²	82	69.8 Å²	69.8	36%	0.357	36%	0.361	S	S	.	.	S	Bend	trans	-78	-24.2	179.5	-61.7	-168.2	173.2	-147.6	0	113.5	K93 S94 S96 R99	K93-K111 PolarHBondContact O-NZ 3.45Å; S94-K111 VanDerWaalsContact C-NZ 3.32Å; S94-K111 PolarHBondContact O-NZ 3.24Å; S96-K111 PolarHBondContact O-NZ 3.18Å; R99-K111 HydrophobicContact CG-CG 4.06Å
112	T	85	Confident	89.4	Confident	71 Å²	71	69.9 Å²	69.9	44%	0.436	37%	0.368	S	S	.	.	S	Bend	trans	-134.6	147.6	-177.8	69.3	0	0	0	0	111.2	F101 S114 S115 L116	F101-T112 VanDerWaalsContact CD2-C 3.48Å; T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 3.01Å; T112-S115 PolarHBondContact N-OG 2.8Å; T112-S115 PolarHBondContact O-N 3.38Å; T112-S115 PolarHBondContact O-OG 2.95Å; T112-S115 WeakPolarHBondContact OG1-CB 3.13Å; T112-S115 PolarHBondContact OG1-N 3.22Å; T112-S115 PolarHBondContact OG1-OG 3.34Å; T112-L116 PolarHBondContact O-N 2.9Å; T112-L116 VanDerWaalsContact O-N 3.09Å
113	N	90.4	Very high	89.5	Confident	92 Å²	92	66.4 Å²	66.4	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-40.4	176.8	-168.7	45.3	0	0	0	112.1	F101 S115 L116 Q117	F101-N113 HydrophobicContact CD1-CB 4.01Å; F101-N113 HydrophobicContact CE1-CB 3.8Å; F101-N113 HydrophobicContact CZ-CB 4.11Å; N113-S115 VanDerWaalsContact C-N 3.3Å; N113-S115 PolarHBondContact O-N 3.3Å; N113-L116 WeakPolarHBondContact O-CB 3.31Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.13Å; N113-Q117 PolarHBondContact O-N 3.46Å
114	S	89.3	Confident	89.4	Confident	85 Å²	85	73 Å²	73	59%	0.594	38%	0.381	S	S	*	.	H	α-helix	trans	-60.1	-39.1	176.8	-49.1	0	0	0	0	112.5	T112 Q117 N118	T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 3.01Å; S114-Q117 PolarHBondContact O-N 2.96Å; S114-N118 WeakPolarHBondContact O-CB 3.35Å; S114-N118 PolarHBondContact O-N 3.13Å; S114-N118 PolarHBondContact O-ND2 2.69Å
115	S	89.9	Confident	89.4	Confident	36 Å²	36	69.8 Å²	69.8	25%	0.252	37%	0.366	S	S	.	.	H	α-helix	trans	-69.3	-36.4	175.4	56.4	0	0	0	0	113	F110 T112 N113 H119	F110-S115 WeakPolarHBondContact CB-OG 3.01Å; T112-S115 PolarHBondContact N-OG 2.8Å; T112-S115 PolarHBondContact O-N 3.38Å; T112-S115 PolarHBondContact O-OG 2.95Å; T112-S115 WeakPolarHBondContact OG1-CB 3.13Å; T112-S115 PolarHBondContact OG1-N 3.22Å; T112-S115 PolarHBondContact OG1-OG 3.34Å; N113-S115 VanDerWaalsContact C-N 3.3Å; N113-S115 PolarHBondContact O-N 3.3Å; S115-H119 WeakPolarHBondContact O-CB 3.37Å; S115-H119 PolarHBondContact O-N 3.41Å; S115-H119 VanDerWaalsContact O-N 3.09Å
116	L	91.7	Very high	89.6	Confident	17 Å²	17	71.4 Å²	71.4	9%	0.089	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-46.8	171.7	171.6	62.8	0	0	0	110.4	F101 C103 F110 T112 N113 N118 H119 I120	F101-L116 HydrophobicContact CB-CB 4.01Å; F101-L116 HydrophobicContact CB-CD2 3.81Å; F101-L116 HydrophobicContact CB-CG 4.48Å; C103-L116 HydrophobicContact CB-CD1 3.83Å; F110-L116 HydrophobicContact CB-CB 4.13Å; F110-L116 HydrophobicContact CD2-CB 3.99Å; F110-L116 HydrophobicContact CD2-CD1 3.65Å; F110-L116 HydrophobicContact CD2-CG 4.44Å; F110-L116 HydrophobicContact CE2-CD1 3.95Å; F110-L116 HydrophobicContact CG-CB 4.18Å; T112-L116 PolarHBondContact O-N 2.9Å; T112-L116 VanDerWaalsContact O-N 3.09Å; N113-L116 WeakPolarHBondContact O-CB 3.31Å; N113-L116 PolarHBondContact O-N 3.3Å; N113-L116 VanDerWaalsContact O-N 3.13Å; L116-N118 PolarHBondContact O-N 3.03Å; L116-H119 CarbonylContact O-C 3.37Å; L116-H119 WeakPolarHBondContact O-CA 3.45Å; L116-H119 WeakPolarHBondContact O-CB 3.43Å; L116-H119 PolarHBondContact O-N 3.3Å; L116-I120 HydrophobicContact CD1-CD1 3.98Å; L116-I120 HydrophobicContact CD1-CG1 4.05Å; L116-I120 HydrophobicContact CD2-CD1 4.31Å; L116-I120 HydrophobicContact CG-CD1 3.8Å; L116-I120 HydrophobicContact CG-CG1 4.3Å; L116-I120 WeakPolarHBondContact O-CG1 3.31Å; L116-I120 PolarHBondContact O-N 2.81Å
117	Q	92	Very high	89.7	Confident	91 Å²	91	75.8 Å²	75.8	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-60.3	-46.3	179.6	-171.7	62.2	25.5	0	0	112	N113 S114 H119 I120 N121	N113-Q117 PolarHBondContact O-N 3.46Å; S114-Q117 PolarHBondContact O-N 2.96Å; Q117-H119 PolarHBondContact O-N 3.12Å; Q117-I120 PolarHBondContact O-N 3.24Å; Q117-I120 VanDerWaalsContact O-N 3.14Å; Q117-N121 VanDerWaalsContact O-CG 3.27Å; Q117-N121 PolarHBondContact O-N 3.19Å; Q117-N121 PolarHBondContact O-OD1 2.92Å
118	N	91.6	Very high	89.8	Confident	61 Å²	61	69.1 Å²	69.1	33%	0.326	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-31	175	-70.8	-17.1	0	0	0	112.3	S114 L116 N121 T140	S114-N118 WeakPolarHBondContact O-CB 3.35Å; S114-N118 PolarHBondContact O-N 3.13Å; S114-N118 PolarHBondContact O-ND2 2.69Å; L116-N118 PolarHBondContact O-N 3.03Å; N118-N121 WeakPolarHBondContact O-CB 3.45Å; N118-T140 HydrophobicContact CB-CG2 3.92Å
119	H	91	Very high	90.1	Very high	16 Å²	16	64.8 Å²	64.8	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-75.1	-42	172.7	165.8	65.5	0	0	0	112.5	C103 C106 F110 S115 L116 Q117 N121 T122 H123	C103-H119 VanDerWaalsContact SG-CD2 3.57Å; C103-H119 PolarHBondContact SG-NE2 3.06Å; C106-H119 VanDerWaalsContact SG-CE1 3.59Å; C106-H119 PolarHBondContact SG-NE2 3.16Å; F110-H119 HydrophobicContact CE1-CB 3.76Å; F110-H119 HydrophobicContact CE2-CB 3.85Å; F110-H119 AromaticContact CE2-CD2 3.2Å; F110-H119 WeakPolarHBondContact CE2-CD2 3.48Å; F110-H119 AromaticContact CE2-CG 3.57Å; F110-H119 AromaticContact CE2-NE2 3.89Å; F110-H119 HydrophobicContact CZ-CB 3.31Å; F110-H119 AromaticContact CZ-CD2 3.32Å; F110-H119 WeakPolarHBondContact CZ-CD2 3.44Å; F110-H119 AromaticContact CZ-CG 3.15Å; F110-H119 AromaticContact CZ-ND1 3.78Å; F110-H119 AromaticContact CZ-NE2 3.96Å; S115-H119 WeakPolarHBondContact O-CB 3.37Å; S115-H119 PolarHBondContact O-N 3.41Å; S115-H119 VanDerWaalsContact O-N 3.09Å; L116-H119 CarbonylContact O-C 3.37Å; L116-H119 WeakPolarHBondContact O-CA 3.45Å; L116-H119 WeakPolarHBondContact O-CB 3.43Å; L116-H119 PolarHBondContact O-N 3.3Å; Q117-H119 PolarHBondContact O-N 3.12Å; H119-N121 PolarHBondContact O-N 2.99Å; H119-T122 WeakPolarHBondContact O-CA 3.42Å; H119-T122 WeakPolarHBondContact O-CB 3.36Å; H119-T122 PolarHBondContact O-N 3.39Å; H119-T122 PolarHBondContact O-OG1 3.4Å; H119-H123 AromaticContact CE1-CD2 3.64Å; H119-H123 AromaticContact CE1-NE2 3.19Å; H119-H123 PolarHBondContact CE1-NE2 3.38Å; H119-H123 AromaticContact NE2-CD2 3.56Å; H119-H123 AromaticContact NE2-NE2 3.16Å; H119-H123 PolarHBondContact NE2-NE2 2.8Å; H119-H123 VanDerWaalsContact NE2-NE2 3.16Å
120	I	92	Very high	90.3	Very high	22 Å²	22	69.9 Å²	69.9	11%	0.113	36%	0.362	C	S	.	.	H	α-helix	trans	-57.4	-38	174.8	-71	169.2	0	0	0	110.6	M105 L116 Q117 T122 H123 K124	M105-I120 HydrophobicContact CE-CB 4.5Å; M105-I120 HydrophobicContact CE-CG1 4.48Å; M105-I120 HydrophobicContact CE-CG2 3.92Å; L116-I120 HydrophobicContact CD1-CD1 3.98Å; L116-I120 HydrophobicContact CD1-CG1 4.05Å; L116-I120 HydrophobicContact CD2-CD1 4.31Å; L116-I120 HydrophobicContact CG-CD1 3.8Å; L116-I120 HydrophobicContact CG-CG1 4.3Å; L116-I120 WeakPolarHBondContact O-CG1 3.31Å; L116-I120 PolarHBondContact O-N 2.81Å; Q117-I120 PolarHBondContact O-N 3.24Å; Q117-I120 VanDerWaalsContact O-N 3.14Å; I120-T122 PolarHBondContact O-N 2.93Å; I120-T122 VanDerWaalsContact O-N 3.17Å; I120-H123 PolarHBondContact O-N 3.03Å; I120-K124 HydrophobicContact CG2-CD 4.17Å; I120-K124 HydrophobicContact CG2-CG 4.44Å; I120-K124 PolarHBondContact O-N 3.43Å; I120-K124 VanDerWaalsContact O-N 3.11Å
121	N	92.6	Very high	90.6	Very high	9 Å²	9	69 Å²	69	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-54.1	-33.2	173	-71.1	-8.9	0	0	0	112.4	Q117 N118 H119 G125 F126 T139	Q117-N121 VanDerWaalsContact O-CG 3.27Å; Q117-N121 PolarHBondContact O-N 3.19Å; Q117-N121 PolarHBondContact O-OD1 2.92Å; N118-N121 WeakPolarHBondContact O-CB 3.45Å; H119-N121 PolarHBondContact O-N 2.99Å; N121-G125 CarbonylContact O-C 3.51Å; N121-G125 PolarHBondContact O-N 3.36Å; N121-G125 VanDerWaalsContact O-N 3.08Å; N121-F126 WeakPolarHBondContact CB-O 3.36Å; N121-F126 PolarHBondContact O-N 3.01Å; N121-T139 HydrophobicContact CB-CG2 4.24Å
122	T	89.6	Confident	90.9	Very high	77 Å²	77	75.2 Å²	75.2	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-35.6	176.8	69.8	0	0	0	0	113.2	H119 I120 T139	H119-T122 WeakPolarHBondContact O-CA 3.42Å; H119-T122 WeakPolarHBondContact O-CB 3.36Å; H119-T122 PolarHBondContact O-N 3.39Å; H119-T122 PolarHBondContact O-OG1 3.4Å; I120-T122 PolarHBondContact O-N 2.93Å; I120-T122 VanDerWaalsContact O-N 3.17Å; T122-T139 HydrophobicContact CG2-CG2 4.13Å
123	H	90.5	Very high	91.2	Very high	81 Å²	81	79.9 Å²	79.9	38%	0.375	40%	0.396	S	S	.	.	H	α-helix	trans	-70.1	-41.6	175.9	-76.2	-72.3	0	0	0	112	M105 C106 H119 I120 G125	M105-H123 HydrophobicContact CE-CB 3.34Å; M105-H123 HydrophobicContact SD-CB 3.64Å; C106-H123 PolarHBondContact SG-NE2 3.16Å; C106-H123 VanDerWaalsContact SG-NE2 3.39Å; H119-H123 AromaticContact CE1-CD2 3.64Å; H119-H123 AromaticContact CE1-NE2 3.19Å; H119-H123 PolarHBondContact CE1-NE2 3.38Å; H119-H123 AromaticContact NE2-CD2 3.56Å; H119-H123 AromaticContact NE2-NE2 3.16Å; H119-H123 PolarHBondContact NE2-NE2 2.8Å; H119-H123 VanDerWaalsContact NE2-NE2 3.16Å; I120-H123 PolarHBondContact O-N 3.03Å; H123-G125 PolarHBondContact O-N 3.29Å
124	K	90	Very high	91.3	Very high	150 Å²	150	77.3 Å²	77.3	65%	0.652	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.1	179.4	-63.2	-174.1	178	-173.6	0	113.3	I120 F126	I120-K124 HydrophobicContact CG2-CD 4.17Å; I120-K124 HydrophobicContact CG2-CG 4.44Å; I120-K124 PolarHBondContact O-N 3.43Å; I120-K124 VanDerWaalsContact O-N 3.11Å; K124-F126 HydrophobicContact CB-CB 4.17Å; K124-F126 PolarHBondContact O-N 2.85Å; K124-F126 VanDerWaalsContact O-N 3.14Å
125	G	88.6	Confident	91.4	Very high	47 Å²	47	82.1 Å²	82.1	49%	0.485	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	9.8	-168.8	0	0	0	0	0	113.8	N121 H123 R127	N121-G125 CarbonylContact O-C 3.51Å; N121-G125 PolarHBondContact O-N 3.36Å; N121-G125 VanDerWaalsContact O-N 3.08Å; H123-G125 PolarHBondContact O-N 3.29Å; G125-R127 PolarHBondContact O-N 2.81Å
126	F	90.5	Very high	91.5	Very high	122 Å²	122	84.5 Å²	84.5	54%	0.535	41%	0.407	S	S	.	.			trans	-73.7	121.6	-176.2	-174.6	-116.3	0	0	0	110.3	N121 K124 P128	N121-F126 WeakPolarHBondContact CB-O 3.36Å; N121-F126 PolarHBondContact O-N 3.01Å; K124-F126 HydrophobicContact CB-CB 4.17Å; K124-F126 PolarHBondContact O-N 2.85Å; K124-F126 VanDerWaalsContact O-N 3.14Å; F126-P128 HydrophobicContact CD1-CB 4.5Å; F126-P128 HydrophobicContact CD1-CG 4.34Å; F126-P128 HydrophobicContact CE1-CB 3.81Å; F126-P128 HydrophobicContact CE1-CG 4.06Å; F126-P128 HydrophobicContact CZ-CB 4.13Å; F126-P128 WeakPolarHBondContact O-CD 3.05Å
127	R	92.6	Very high	91.5	Very high	133 Å²	133	84.7 Å²	84.7	50%	0.502	41%	0.411	S	S	.	.			trans	-124.2	83.2	-174.7	-73.5	165.3	174.8	-93.6	0.1	109.3	G125 H129 A137 F138 T139	G125-R127 PolarHBondContact O-N 2.81Å; R127-H129 PolarHBondContact O-N 3.22Å; R127-H129 VanDerWaalsContact O-N 3.17Å; R127-A137 HydrophobicContact CB-CB 3.61Å; R127-A137 VanDerWaalsContact CD-O 3.29Å; R127-A137 WeakPolarHBondContact CD-O 3.37Å; R127-A137 PolarHBondContact NH1-O 3.35Å; R127-F138 CarbonylContact C-O 3.53Å; R127-F138 VanDerWaalsContact C-O 3.28Å; R127-F138 WeakPolarHBondContact CA-O 3.41Å; R127-T139 HydrophobicContact CG-CG2 3.99Å
128	P	89.7	Confident	91.6	Very high	60 Å²	60	81.8 Å²	81.8	39%	0.39	40%	0.397	S	S	.	.			trans	-67.7	-15.5	-172.7	24.7	-32.9	0	0	0	114.1	F126 F138	F126-P128 HydrophobicContact CD1-CB 4.5Å; F126-P128 HydrophobicContact CD1-CG 4.34Å; F126-P128 HydrophobicContact CE1-CB 3.81Å; F126-P128 HydrophobicContact CE1-CG 4.06Å; F126-P128 HydrophobicContact CZ-CB 4.13Å; F126-P128 WeakPolarHBondContact O-CD 3.05Å; P128-F138 WeakPolarHBondContact CD-O 3.5Å
129	H	94.2	Very high	91.7	Very high	58 Å²	58	79.4 Å²	79.4	27%	0.269	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	86	-173.9	-58	-68.7	0	0	0	111.4	R127 A137 F138 T140 S141 L144	R127-H129 PolarHBondContact O-N 3.22Å; R127-H129 VanDerWaalsContact O-N 3.17Å; H129-A137 CarbonylContact O-C 3.45Å; H129-A137 WeakPolarHBondContact O-CA 3.44Å; H129-F138 HydrophobicContact CB-CB 4.38Å; H129-F138 PolarHBondContact N-O 2.83Å; H129-F138 VanDerWaalsContact N-O 3.09Å; H129-F138 PolarHBondContact O-N 2.94Å; H129-T140 VanDerWaalsContact CD2-CA 3.45Å; H129-T140 WeakPolarHBondContact CD2-CA 2.96Å; H129-S141 PolarHBondContact CD2-N 3.49Å; H129-S141 PolarHBondContact NE2-N 3.4Å; H129-L144 HydrophobicContact CB-CB 4.04Å; H129-L144 HydrophobicContact CB-CD2 3.92Å
130	Q	92.6	Very high	91.7	Very high	132 Å²	132	80.1 Å²	80.1	62%	0.617	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.4	177.1	-166.3	175.3	20.1	0	0	112	A137	Q130-A137 HydrophobicContact CB-CB 4.16Å; Q130-A137 HydrophobicContact CG-CB 4.3Å
131	C	94.4	Very high	91.8	Very high	6 Å²	6	82.3 Å²	82.3	4%	0.041	41%	0.408	C	S	.	.			trans	-74	134.2	169.3	-169.7	0	0	0	0	110.4	R133 C134 L136 L144 H147 H152	C131-R133 VanDerWaalsContact C-N 3.27Å; C131-R133 PolarHBondContact O-N 3.46Å; C131-C134 CarbonylContact C-O 3.47Å; C131-L136 WeakPolarHBondContact CB-O 3.38Å; C131-L136 PolarHBondContact N-O 3.05Å; C131-L144 HydrophobicContact CB-CD1 3.77Å; C131-H147 PolarHBondContact SG-NE2 3.3Å; C131-H147 VanDerWaalsContact SG-NE2 3.41Å; C131-H152 VanDerWaalsContact SG-CD2 3.52Å; C131-H152 PolarHBondContact SG-NE2 3.46Å
132	K	91.7	Very high	91.7	Very high	214 Å²	214	83.9 Å²	83.9	93%	0.93	43%	0.426	S	S	*	.	S	Bend	trans	-77.4	-12.1	177.1	-63.4	-174.1	178.3	-174.6	0	113.8
133	R	89.4	Confident	91.9	Very high	169 Å²	169	83.1 Å²	83.1	64%	0.638	42%	0.417	S	S	*	.	S	Bend	trans	-108.5	-11.6	-175.5	-67.9	-177.7	177	125.4	-2.8	113.6	C131 H152	C131-R133 VanDerWaalsContact C-N 3.27Å; C131-R133 PolarHBondContact O-N 3.46Å; R133-H152 VanDerWaalsContact CB-CE1 3.44Å; R133-H152 WeakPolarHBondContact CB-CE1 3.43Å
134	C	93.1	Very high	92.1	Very high	38 Å²	38	80.5 Å²	80.5	26%	0.257	41%	0.406	S	S	.	.	S	Bend	trans	-152.4	168	173.4	68.3	0	0	0	0	110.1	C131 L136 H147 H152	C131-C134 CarbonylContact C-O 3.47Å; C134-L136 PolarHBondContact O-N 3.46Å; C134-L136 VanDerWaalsContact O-N 3.12Å; C134-H147 PolarHBondContact SG-CE1 3.24Å; C134-H147 PolarHBondContact SG-NE2 3.25Å; C134-H152 PolarHBondContact SG-NE2 2.87Å; C134-H152 VanDerWaalsContact SG-NE2 3.42Å
135	E	91	Very high	92.3	Very high	186 Å²	186	77.4 Å²	77.4	87%	0.869	40%	0.395	S	S	*	.	S	Bend	trans	-73.8	-2.9	-173.8	-61.8	174.4	-175.9	0	0	114.2
136	L	92.3	Very high	92.6	Very high	86 Å²	86	79.5 Å²	79.5	45%	0.45	39%	0.389	S	S	.	.			trans	-75.2	130.9	-176.7	-68.5	167.8	0	0	0	111.9	C131 C134 F138	C131-L136 WeakPolarHBondContact CB-O 3.38Å; C131-L136 PolarHBondContact N-O 3.05Å; C134-L136 PolarHBondContact O-N 3.46Å; C134-L136 VanDerWaalsContact O-N 3.12Å; L136-F138 HydrophobicContact CB-CE2 4.09Å; L136-F138 HydrophobicContact CB-CZ 3.98Å
137	A	93	Very high	92.8	Very high	20 Å²	20	74.6 Å²	74.6	17%	0.165	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	153.2	172.3	0	0	0	0	0	112.2	R127 H129 Q130	R127-A137 HydrophobicContact CB-CB 3.61Å; R127-A137 VanDerWaalsContact CD-O 3.29Å; R127-A137 WeakPolarHBondContact CD-O 3.37Å; R127-A137 PolarHBondContact NH1-O 3.35Å; H129-A137 CarbonylContact O-C 3.45Å; H129-A137 WeakPolarHBondContact O-CA 3.44Å; Q130-A137 HydrophobicContact CB-CB 4.16Å; Q130-A137 HydrophobicContact CG-CB 4.3Å
138	F	93.7	Very high	92.9	Very high	30 Å²	30	70.4 Å²	70.4	13%	0.132	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.3	-173.4	-57.9	-84.6	0	0	0	112.2	R127 P128 H129 L136 T140 E143 L144 H147	R127-F138 CarbonylContact C-O 3.53Å; R127-F138 VanDerWaalsContact C-O 3.28Å; R127-F138 WeakPolarHBondContact CA-O 3.41Å; P128-F138 WeakPolarHBondContact CD-O 3.5Å; H129-F138 HydrophobicContact CB-CB 4.38Å; H129-F138 PolarHBondContact N-O 2.83Å; H129-F138 VanDerWaalsContact N-O 3.09Å; H129-F138 PolarHBondContact O-N 2.94Å; L136-F138 HydrophobicContact CB-CE2 4.09Å; L136-F138 HydrophobicContact CB-CZ 3.98Å; F138-T140 VanDerWaalsContact C-N 3.34Å; F138-E143 HydrophobicContact CB-CB 3.84Å; F138-E143 HydrophobicContact CD1-CB 3.84Å; F138-E143 HydrophobicContact CG-CB 4.01Å; F138-L144 HydrophobicContact CB-CB 4.41Å; F138-L144 HydrophobicContact CD2-CB 3.85Å; F138-L144 HydrophobicContact CD2-CD1 3.8Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.99Å; F138-L144 HydrophobicContact CG-CB 4.38Å; F138-H147 HydrophobicContact CD2-CB 4.48Å; F138-H147 HydrophobicContact CE1-CB 3.96Å; F138-H147 HydrophobicContact CE2-CB 3.62Å; F138-H147 AromaticContact CE2-CD2 3.56Å; F138-H147 AromaticContact CE2-CG 3.44Å; F138-H147 VanDerWaalsContact CE2-CG 3.44Å; F138-H147 HydrophobicContact CZ-CB 3.32Å; F138-H147 AromaticContact CZ-CD2 3.82Å; F138-H147 AromaticContact CZ-CG 3.22Å; F138-H147 AromaticContact CZ-ND1 3.51Å
139	T	92.7	Very high	93.2	Very high	11 Å²	11	71.5 Å²	71.5	7%	0.067	35%	0.351	C	S	.	.	S	Bend	trans	-79.5	-21.3	179.6	58	0	0	0	0	112.2	N121 T122 R127 E143	N121-T139 HydrophobicContact CB-CG2 4.24Å; T122-T139 HydrophobicContact CG2-CG2 4.13Å; R127-T139 HydrophobicContact CG-CG2 3.99Å; T139-E143 PolarHBondContact OG1-OE2 3.02Å
140	T	92	Very high	93.2	Very high	32 Å²	32	71.6 Å²	71.6	20%	0.196	35%	0.349	C	S	.	.	S	Bend	trans	-132.5	150.2	178.6	66.9	0	0	0	0	112.4	N118 H129 F138 G142 E143 L144	N118-T140 HydrophobicContact CB-CG2 3.92Å; H129-T140 VanDerWaalsContact CD2-CA 3.45Å; H129-T140 WeakPolarHBondContact CD2-CA 2.96Å; F138-T140 VanDerWaalsContact C-N 3.34Å; T140-G142 VanDerWaalsContact C-N 3.32Å; T140-G142 PolarHBondContact O-N 2.8Å; T140-E143 PolarHBondContact O-N 3.4Å; T140-E143 WeakPolarHBondContact OG1-CB 3.47Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 WeakPolarHBondContact OG1-CG 3.32Å; T140-E143 PolarHBondContact OG1-N 3.11Å; T140-E143 PolarHBondContact OG1-OE2 2.84Å; T140-L144 PolarHBondContact O-N 2.79Å
141	S	93.1	Very high	93.3	Very high	68 Å²	68	71.9 Å²	71.9	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-35.3	178.5	58.4	0	0	0	0	112.8	H129 E143 L144 I145	H129-S141 PolarHBondContact CD2-N 3.49Å; H129-S141 PolarHBondContact NE2-N 3.4Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 2.93Å; S141-L144 WeakPolarHBondContact O-CB 3.41Å; S141-L144 PolarHBondContact O-N 2.9Å; S141-I145 WeakPolarHBondContact O-CG1 3.4Å; S141-I145 PolarHBondContact O-N 3.44Å
142	G	91.8	Very high	93.3	Very high	41 Å²	41	74.5 Å²	74.5	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-35.5	176.9	0	0	0	0	0	113.1	T140 R146	T140-G142 VanDerWaalsContact C-N 3.32Å; T140-G142 PolarHBondContact O-N 2.8Å; G142-R146 VanDerWaalsContact O-CB 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.45Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.09Å
143	E	93.9	Very high	93.3	Very high	61 Å²	61	66.7 Å²	66.7	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-41.8	172.3	-74.7	172.9	167.6	0	0	112.2	F138 T139 T140 S141 R146 H147	F138-E143 HydrophobicContact CB-CB 3.84Å; F138-E143 HydrophobicContact CD1-CB 3.84Å; F138-E143 HydrophobicContact CG-CB 4.01Å; T139-E143 PolarHBondContact OG1-OE2 3.02Å; T140-E143 PolarHBondContact O-N 3.4Å; T140-E143 WeakPolarHBondContact OG1-CB 3.47Å; T140-E143 VanDerWaalsContact OG1-CD 3.29Å; T140-E143 WeakPolarHBondContact OG1-CG 3.32Å; T140-E143 PolarHBondContact OG1-N 3.11Å; T140-E143 PolarHBondContact OG1-OE2 2.84Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 2.93Å; E143-R146 PolarHBondContact O-N 3.22Å; E143-H147 VanDerWaalsContact O-CB 3.32Å; E143-H147 WeakPolarHBondContact O-CB 3.42Å; E143-H147 PolarHBondContact O-N 3.42Å
144	L	94.5	Very high	93.5	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.141	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-49.6	175.6	172.9	62.7	0	0	0	111.5	H129 C131 F138 T140 S141 R146 H147 I148	H129-L144 HydrophobicContact CB-CB 4.04Å; H129-L144 HydrophobicContact CB-CD2 3.92Å; C131-L144 HydrophobicContact CB-CD1 3.77Å; F138-L144 HydrophobicContact CB-CB 4.41Å; F138-L144 HydrophobicContact CD2-CB 3.85Å; F138-L144 HydrophobicContact CD2-CD1 3.8Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.99Å; F138-L144 HydrophobicContact CG-CB 4.38Å; T140-L144 PolarHBondContact O-N 2.79Å; S141-L144 WeakPolarHBondContact O-CB 3.41Å; S141-L144 PolarHBondContact O-N 2.9Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 2.55Å; L144-H147 WeakPolarHBondContact O-CB 3.27Å; L144-H147 PolarHBondContact O-N 3.22Å; L144-I148 HydrophobicContact CD1-CD1 3.95Å; L144-I148 HydrophobicContact CD1-CG1 4.15Å; L144-I148 HydrophobicContact CG-CD1 3.98Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 3.21Å
145	I	94.2	Very high	93.4	Very high	85 Å²	85	67.7 Å²	67.7	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-45.7	178.7	-67.7	167.7	0	0	0	110.4	S141 H147 I148 R149	S141-I145 WeakPolarHBondContact O-CG1 3.4Å; S141-I145 PolarHBondContact O-N 3.44Å; I145-H147 PolarHBondContact O-N 3.35Å; I145-I148 PolarHBondContact O-N 2.82Å; I145-R149 WeakPolarHBondContact O-CG 3.43Å; I145-R149 PolarHBondContact O-N 3.38Å
146	R	95	Very high	93.5	Very high	91 Å²	91	64.2 Å²	64.2	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-41.5	178.2	-179.5	169.5	58.4	108.3	3.6	111.9	G142 E143 L144 R149 Y150 V168 E169	G142-R146 VanDerWaalsContact O-CB 3.27Å; G142-R146 WeakPolarHBondContact O-CB 3.45Å; G142-R146 PolarHBondContact O-N 3.4Å; G142-R146 VanDerWaalsContact O-N 3.09Å; E143-R146 PolarHBondContact O-N 3.22Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 2.55Å; R146-R149 PolarHBondContact O-N 3.34Å; R146-Y150 HydrophobicContact CG-CD2 3.63Å; R146-Y150 HydrophobicContact CG-CE2 3.45Å; R146-Y150 VanDerWaalsContact CG-CE2 3.45Å; R146-Y150 WeakPolarHBondContact O-CD2 3.25Å; R146-Y150 PolarHBondContact O-N 2.92Å; R146-V168 HydrophobicContact CG-CG1 4.16Å; R146-E169 VanDerWaalsContact CD-CD 3.41Å; R146-E169 VanDerWaalsContact CD-CG 3.48Å; R146-E169 WeakPolarHBondContact CD-OE1 3.44Å; R146-E169 HydrophobicContact CG-CG 4.22Å; R146-E169 IonicContact NH1-OE1 2.73Å; R146-E169 PolarHBondContact NH1-OE1 3.47Å
147	H	94.7	Very high	93.5	Very high	18 Å²	18	63.3 Å²	63.3	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-47.4	173.5	158.6	80	0	0	0	111.7	C131 C134 F138 E143 L144 I145 R149 Y150 R151 H152	C131-H147 PolarHBondContact SG-NE2 3.3Å; C131-H147 VanDerWaalsContact SG-NE2 3.41Å; C134-H147 PolarHBondContact SG-CE1 3.24Å; C134-H147 PolarHBondContact SG-NE2 3.25Å; F138-H147 HydrophobicContact CD2-CB 4.48Å; F138-H147 HydrophobicContact CE1-CB 3.96Å; F138-H147 HydrophobicContact CE2-CB 3.62Å; F138-H147 AromaticContact CE2-CD2 3.56Å; F138-H147 AromaticContact CE2-CG 3.44Å; F138-H147 VanDerWaalsContact CE2-CG 3.44Å; F138-H147 HydrophobicContact CZ-CB 3.32Å; F138-H147 AromaticContact CZ-CD2 3.82Å; F138-H147 AromaticContact CZ-CG 3.22Å; F138-H147 AromaticContact CZ-ND1 3.51Å; E143-H147 VanDerWaalsContact O-CB 3.32Å; E143-H147 WeakPolarHBondContact O-CB 3.42Å; E143-H147 PolarHBondContact O-N 3.42Å; L144-H147 WeakPolarHBondContact O-CB 3.27Å; L144-H147 PolarHBondContact O-N 3.22Å; I145-H147 PolarHBondContact O-N 3.35Å; H147-R149 VanDerWaalsContact C-N 3.27Å; H147-R149 PolarHBondContact O-N 3.45Å; H147-Y150 PolarHBondContact O-N 3.06Å; H147-Y150 VanDerWaalsContact O-N 3.1Å; H147-R151 WeakPolarHBondContact O-CB 3.45Å; H147-R151 PolarHBondContact O-N 3.07Å; H147-H152 AromaticContact CE1-NE2 3.96Å; H147-H152 AromaticContact NE2-CD2 3.65Å; H147-H152 AromaticContact NE2-NE2 3.29Å; H147-H152 PolarHBondContact NE2-NE2 3.4Å
148	I	95	Very high	93.6	Very high	46 Å²	46	65 Å²	65	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-57.2	-44.9	177.5	-68.4	166.9	0	0	0	110.2	L144 I145 Y150 H152 T153	L144-I148 HydrophobicContact CD1-CD1 3.95Å; L144-I148 HydrophobicContact CD1-CG1 4.15Å; L144-I148 HydrophobicContact CG-CD1 3.98Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 3.21Å; I145-I148 PolarHBondContact O-N 2.82Å; I148-Y150 PolarHBondContact O-N 3.44Å; I148-H152 HydrophobicContact CG2-CB 4.34Å; I148-H152 WeakPolarHBondContact O-CA 3.41Å; I148-H152 WeakPolarHBondContact O-CB 3.24Å; I148-H152 PolarHBondContact O-N 3.39Å; I148-T153 HydrophobicContact CG2-CG2 3.95Å; I148-T153 PolarHBondContact O-N 2.84Å
149	R	95.2	Very high	93.6	Very high	83 Å²	83	71.2 Å²	71.2	31%	0.313	35%	0.35	S	S	.	.	I	π-helix	trans	-63.6	-38	176.1	-70.3	179.6	-176.8	171.5	2.3	113.6	I145 R146 H147 T153 L154 E155 V168	I145-R149 WeakPolarHBondContact O-CG 3.43Å; I145-R149 PolarHBondContact O-N 3.38Å; R146-R149 PolarHBondContact O-N 3.34Å; H147-R149 VanDerWaalsContact C-N 3.27Å; H147-R149 PolarHBondContact O-N 3.45Å; R149-T153 WeakPolarHBondContact CA-OG1 3.48Å; R149-L154 CarbonylContact O-C 3.59Å; R149-L154 WeakPolarHBondContact O-CA 3.46Å; R149-L154 PolarHBondContact O-N 3.43Å; R149-E155 HydrophobicContact CG-CB 4.4Å; R149-E155 PolarHBondContact O-N 3.22Å; R149-V168 HydrophobicContact CB-CB 4.45Å; R149-V168 HydrophobicContact CB-CG1 3.43Å; R149-V168 VanDerWaalsContact CB-CG1 3.43Å; R149-V168 HydrophobicContact CB-CG2 4.21Å; R149-V168 HydrophobicContact CG-CG1 4.26Å
150	Y	94.4	Very high	93.7	Very high	60 Å²	60	71.3 Å²	71.3	24%	0.235	35%	0.351	C	S	.	.	I	π-helix	trans	-76.9	-31.8	178.8	-83.6	-65.3	0	0	0	114.5	R146 H147 I148 L154 V168 E169	R146-Y150 HydrophobicContact CG-CD2 3.63Å; R146-Y150 HydrophobicContact CG-CE2 3.45Å; R146-Y150 VanDerWaalsContact CG-CE2 3.45Å; R146-Y150 WeakPolarHBondContact O-CD2 3.25Å; R146-Y150 PolarHBondContact O-N 2.92Å; H147-Y150 PolarHBondContact O-N 3.06Å; H147-Y150 VanDerWaalsContact O-N 3.1Å; I148-Y150 PolarHBondContact O-N 3.44Å; Y150-L154 WeakPolarHBondContact O-CD2 3.46Å; Y150-V168 HydrophobicContact CD1-CB 4.2Å; Y150-V168 HydrophobicContact CD1-CG2 3.46Å; Y150-V168 VanDerWaalsContact CD1-CG2 3.46Å; Y150-V168 HydrophobicContact CD2-CB 4.2Å; Y150-V168 HydrophobicContact CD2-CG1 4.11Å; Y150-V168 HydrophobicContact CD2-CG2 4.15Å; Y150-V168 HydrophobicContact CE1-CB 3.78Å; Y150-V168 HydrophobicContact CE1-CG2 3.41Å; Y150-V168 VanDerWaalsContact CE1-CG2 3.41Å; Y150-V168 HydrophobicContact CE2-CB 3.78Å; Y150-V168 HydrophobicContact CE2-CG1 3.94Å; Y150-V168 HydrophobicContact CE2-CG2 4.11Å; Y150-V168 HydrophobicContact CG-CB 4.39Å; Y150-V168 HydrophobicContact CG-CG2 3.84Å; Y150-E169 HydrophobicContact CE2-CG 4.33Å; Y150-E169 WeakPolarHBondContact CE2-OE1 3.48Å; Y150-E169 PolarHBondContact OH-OE1 3.01Å
151	R	93.4	Very high	93.8	Very high	138 Å²	138	75.7 Å²	75.7	52%	0.521	38%	0.379	S	S	.	.	I	π-helix	trans	-114.3	-28.3	-168	-68.5	-60.9	-171.5	94	-2.1	114.9	H147	H147-R151 WeakPolarHBondContact O-CB 3.45Å; H147-R151 PolarHBondContact O-N 3.07Å
152	H	94.3	Very high	93.7	Very high	60 Å²	60	78 Å²	78	28%	0.278	38%	0.382	S	S	.	.	I	π-helix	trans	-114.2	-48.2	-172.4	-62.5	-56.8	0	0	0	112.9	C131 R133 C134 H147 I148	C131-H152 VanDerWaalsContact SG-CD2 3.52Å; C131-H152 PolarHBondContact SG-NE2 3.46Å; R133-H152 VanDerWaalsContact CB-CE1 3.44Å; R133-H152 WeakPolarHBondContact CB-CE1 3.43Å; C134-H152 PolarHBondContact SG-NE2 2.87Å; C134-H152 VanDerWaalsContact SG-NE2 3.42Å; H147-H152 AromaticContact CE1-NE2 3.96Å; H147-H152 AromaticContact NE2-CD2 3.65Å; H147-H152 AromaticContact NE2-NE2 3.29Å; H147-H152 PolarHBondContact NE2-NE2 3.4Å; I148-H152 HydrophobicContact CG2-CB 4.34Å; I148-H152 WeakPolarHBondContact O-CA 3.41Å; I148-H152 WeakPolarHBondContact O-CB 3.24Å; I148-H152 PolarHBondContact O-N 3.39Å
153	T	92.8	Very high	93.7	Very high	51 Å²	51	78.3 Å²	78.3	31%	0.313	38%	0.377	S	S	.	.	I	π-helix	trans	-95.4	-19.6	-178.3	65.9	0	0	0	0	113.1	I148 R149 E155	I148-T153 HydrophobicContact CG2-CG2 3.95Å; I148-T153 PolarHBondContact O-N 2.84Å; R149-T153 WeakPolarHBondContact CA-OG1 3.48Å; T153-E155 PolarHBondContact O-N 2.89Å
154	L	92.7	Very high	93.7	Very high	121 Å²	121	82.6 Å²	82.6	63%	0.634	41%	0.408	S	S	*	.			trans	55.4	16.1	-175.2	-55.8	175.4	0	0	0	113.6	R149 Y150 K156	R149-L154 CarbonylContact O-C 3.59Å; R149-L154 WeakPolarHBondContact O-CA 3.46Å; R149-L154 PolarHBondContact O-N 3.43Å; Y150-L154 WeakPolarHBondContact O-CD2 3.46Å; L154-K156 PolarHBondContact O-N 3.44Å
155	E	92	Very high	93.7	Very high	107 Å²	107	85.6 Å²	85.6	50%	0.5	42%	0.418	S	S	.	.			trans	-67.2	125.9	-179.9	-77.2	173.6	-169.8	0	0	110.6	R149 T153 P157 V168	R149-E155 HydrophobicContact CG-CB 4.4Å; R149-E155 PolarHBondContact O-N 3.22Å; T153-E155 PolarHBondContact O-N 2.89Å; E155-P157 WeakPolarHBondContact O-CD 3.48Å; E155-V168 WeakPolarHBondContact O-CG2 3.4Å
156	K	93.9	Very high	93.7	Very high	112 Å²	112	82.4 Å²	82.4	49%	0.487	40%	0.404	S	S	.	.			trans	-120.6	84.9	178.6	-69.1	162.5	173	-170.2	0	109.2	L154 H158 A166 S167 V168	L154-K156 PolarHBondContact O-N 3.44Å; K156-H158 PolarHBondContact O-N 3.36Å; K156-A166 HydrophobicContact CB-CB 3.65Å; K156-A166 HydrophobicContact CD-CB 4.23Å; K156-A166 WeakPolarHBondContact CD-O 2.99Å; K156-S167 CarbonylContact C-O 3.46Å; K156-V168 HydrophobicContact CG-CG2 4.18Å
157	P	92.1	Very high	93.7	Very high	68 Å²	68	78.3 Å²	78.3	44%	0.442	39%	0.389	S	S	.	.			trans	-65.9	-24.2	-172.9	-22.1	34.5	0	0	0	113.6	E155	E155-P157 WeakPolarHBondContact O-CD 3.48Å
158	H	95	Very high	93.6	Very high	56 Å²	56	77.8 Å²	77.8	26%	0.259	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.8	-174.6	-54.4	-67	0	0	0	110.1	K156 A166 S167 V168 E169 L170 L173	K156-H158 PolarHBondContact O-N 3.36Å; H158-A166 CarbonylContact O-C 3.43Å; H158-A166 VanDerWaalsContact O-CA 3.24Å; H158-A166 WeakPolarHBondContact O-CA 3.43Å; H158-S167 WeakPolarHBondContact CB-O 3.29Å; H158-S167 PolarHBondContact N-O 2.83Å; H158-S167 VanDerWaalsContact N-O 3.08Å; H158-S167 PolarHBondContact O-N 3.29Å; H158-V168 PolarHBondContact CD2-O 3.49Å; H158-V168 VanDerWaalsContact CD2-O 3.32Å; H158-E169 VanDerWaalsContact CD2-C 3.4Å; H158-L170 PolarHBondContact CD2-N 3.48Å; H158-L170 PolarHBondContact NE2-N 3.13Å; H158-L173 HydrophobicContact CB-CB 4.08Å; H158-L173 HydrophobicContact CB-CD2 3.73Å; H158-L173 HydrophobicContact CB-CG 4.48Å
159	K	94	Very high	93.6	Very high	159 Å²	159	77.4 Å²	77.4	69%	0.691	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.7	179.6	-59.9	-178.6	-179.7	179.7	0	111	A166 L173	K159-A166 HydrophobicContact CB-CB 4.43Å; K159-A166 HydrophobicContact CG-CB 3.95Å; K159-L173 WeakPolarHBondContact O-CD2 3.34Å
160	C	94.8	Very high	93.5	Very high	13 Å²	13	77.4 Å²	77.4	9%	0.088	39%	0.39	C	S	.	.			trans	-72.3	143.9	168.3	-177.7	0	0	0	0	109.6	E162 C163 Y165 L173 H176 M177	C160-E162 PolarHBondContact SG-N 3.3Å; C160-C163 PolarHBondContact SG-N 3.24Å; C160-C163 VanDerWaalsContact SG-SG 3.63Å; C160-Y165 VanDerWaalsContact CB-O 3.24Å; C160-Y165 WeakPolarHBondContact CB-O 3.49Å; C160-Y165 PolarHBondContact N-O 3.41Å; C160-L173 HydrophobicContact CB-CD1 3.94Å; C160-H176 PolarHBondContact SG-NE2 3.27Å; C160-H176 VanDerWaalsContact SG-NE2 3.38Å; C160-M177 HydrophobicContact CB-SD 4.33Å
161	T	92.5	Very high	93.4	Very high	125 Å²	125	77.8 Å²	77.8	77%	0.767	40%	0.402	S	S	*	.	S	Bend	trans	-83.8	-23.9	176.6	48.5	0	0	0	0	112.7
162	E	90.6	Very high	93.3	Very high	116 Å²	116	74.3 Å²	74.3	54%	0.542	39%	0.39	S	S	.	.	S	Bend	trans	-102.4	-14.5	-174.2	-66.9	-176.5	-139.2	0	0	113.8	C160 H180	C160-E162 PolarHBondContact SG-N 3.3Å; E162-H180 VanDerWaalsContact CB-CE1 3.43Å; E162-H180 WeakPolarHBondContact CB-CE1 3.27Å; E162-H180 WeakPolarHBondContact CB-ND1 3.32Å; E162-H180 WeakPolarHBondContact OE2-CB 3.37Å; E162-H180 IonicContact OE2-CE1 3.79Å; E162-H180 IonicContact OE2-CG 3.16Å; E162-H180 IonicContact OE2-ND1 2.8Å; E162-H180 PolarHBondContact OE2-ND1 3.38Å
163	C	93.7	Very high	93.3	Very high	48 Å²	48	72.3 Å²	72.3	32%	0.324	38%	0.382	S	S	.	.	S	Bend	trans	-149.8	176.1	176.3	74.7	0	0	0	0	112.1	C160 Y165 H176 H180	C160-C163 PolarHBondContact SG-N 3.24Å; C160-C163 VanDerWaalsContact SG-SG 3.63Å; C163-Y165 PolarHBondContact O-N 3.47Å; C163-Y165 VanDerWaalsContact O-N 3.15Å; C163-Y165 WeakPolarHBondContact SG-CB 3.21Å; C163-Y165 PolarHBondContact SG-N 3.3Å; C163-H176 PolarHBondContact SG-CE1 2.99Å; C163-H176 PolarHBondContact SG-NE2 3.5Å; C163-H180 PolarHBondContact SG-NE2 3.07Å; C163-H180 VanDerWaalsContact SG-NE2 3.41Å
164	T	93.3	Very high	93.2	Very high	151 Å²	151	76.1 Å²	76.1	93%	0.926	39%	0.394	S	S	*	.	S	Bend	trans	-74.1	1.4	-179	58.1	0	0	0	0	114.1
165	Y	93.9	Very high	93.2	Very high	90 Å²	90	74.3 Å²	74.3	35%	0.353	38%	0.379	S	S	.	.			trans	-69	136.5	-179.4	-179	-94.9	0	0	0	111.4	C160 C163 L173 H176	C160-Y165 VanDerWaalsContact CB-O 3.24Å; C160-Y165 WeakPolarHBondContact CB-O 3.49Å; C160-Y165 PolarHBondContact N-O 3.41Å; C163-Y165 PolarHBondContact O-N 3.47Å; C163-Y165 VanDerWaalsContact O-N 3.15Å; C163-Y165 WeakPolarHBondContact SG-CB 3.21Å; C163-Y165 PolarHBondContact SG-N 3.3Å; Y165-L173 HydrophobicContact CD1-CD1 4.24Å; Y165-L173 HydrophobicContact CE1-CD1 4.49Å; Y165-H176 HydrophobicContact CD1-CB 3.96Å; Y165-H176 AromaticContact CD1-CD2 3.34Å; Y165-H176 WeakPolarHBondContact CD1-CD2 3.38Å; Y165-H176 AromaticContact CD1-CE1 3.91Å; Y165-H176 AromaticContact CD1-CG 3.38Å; Y165-H176 AromaticContact CD1-ND1 3.76Å; Y165-H176 AromaticContact CD1-NE2 3.65Å; Y165-H176 HydrophobicContact CE1-CB 3.66Å; Y165-H176 AromaticContact CE1-CD2 3.97Å; Y165-H176 AromaticContact CE1-CG 3.63Å; Y165-H176 AromaticContact CG-CD2 3.97Å; Y165-H176 AromaticContact CG-CE1 3.76Å; Y165-H176 AromaticContact CG-CG 3.97Å; Y165-H176 AromaticContact CG-ND1 3.85Å; Y165-H176 AromaticContact CG-NE2 3.81Å
166	A	94.3	Very high	93.3	Very high	18 Å²	18	70.6 Å²	70.6	15%	0.149	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.2	172.3	0	0	0	0	0	110.7	K156 H158 K159	K156-A166 HydrophobicContact CB-CB 3.65Å; K156-A166 HydrophobicContact CD-CB 4.23Å; K156-A166 WeakPolarHBondContact CD-O 2.99Å; H158-A166 CarbonylContact O-C 3.43Å; H158-A166 VanDerWaalsContact O-CA 3.24Å; H158-A166 WeakPolarHBondContact O-CA 3.43Å; K159-A166 HydrophobicContact CB-CB 4.43Å; K159-A166 HydrophobicContact CG-CB 3.95Å
167	S	94.1	Very high	93.2	Very high	5 Å²	5	67.4 Å²	67.4	4%	0.035	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.9	179.1	63.6	0	0	0	0	113.6	K156 H158 E169 L173	K156-S167 CarbonylContact C-O 3.46Å; H158-S167 WeakPolarHBondContact CB-O 3.29Å; H158-S167 PolarHBondContact N-O 2.83Å; H158-S167 VanDerWaalsContact N-O 3.08Å; H158-S167 PolarHBondContact O-N 3.29Å; S167-E169 VanDerWaalsContact C-N 3.32Å; S167-E169 PolarHBondContact OG-O 2.95Å; S167-L173 WeakPolarHBondContact OG-CB 3.41Å; S167-L173 PolarHBondContact OG-N 3.45Å
168	V	94.5	Very high	93.3	Very high	6 Å²	6	66.9 Å²	66.9	4%	0.036	34%	0.338	C	S	.	.	S	Bend	trans	-69	-33.9	173.5	-179.7	0	0	0	0	111.4	R146 R149 Y150 E155 K156 H158	R146-V168 HydrophobicContact CG-CG1 4.16Å; R149-V168 HydrophobicContact CB-CB 4.45Å; R149-V168 HydrophobicContact CB-CG1 3.43Å; R149-V168 VanDerWaalsContact CB-CG1 3.43Å; R149-V168 HydrophobicContact CB-CG2 4.21Å; R149-V168 HydrophobicContact CG-CG1 4.26Å; Y150-V168 HydrophobicContact CD1-CB 4.2Å; Y150-V168 HydrophobicContact CD1-CG2 3.46Å; Y150-V168 VanDerWaalsContact CD1-CG2 3.46Å; Y150-V168 HydrophobicContact CD2-CB 4.2Å; Y150-V168 HydrophobicContact CD2-CG1 4.11Å; Y150-V168 HydrophobicContact CD2-CG2 4.15Å; Y150-V168 HydrophobicContact CE1-CB 3.78Å; Y150-V168 HydrophobicContact CE1-CG2 3.41Å; Y150-V168 VanDerWaalsContact CE1-CG2 3.41Å; Y150-V168 HydrophobicContact CE2-CB 3.78Å; Y150-V168 HydrophobicContact CE2-CG1 3.94Å; Y150-V168 HydrophobicContact CE2-CG2 4.11Å; Y150-V168 HydrophobicContact CG-CB 4.39Å; Y150-V168 HydrophobicContact CG-CG2 3.84Å; E155-V168 WeakPolarHBondContact O-CG2 3.4Å; K156-V168 HydrophobicContact CG-CG2 4.18Å; H158-V168 PolarHBondContact CD2-O 3.49Å; H158-V168 VanDerWaalsContact CD2-O 3.32Å
169	E	94.3	Very high	93.1	Very high	39 Å²	39	68.3 Å²	68.3	18%	0.182	35%	0.354	C	S	.	.	S	Bend	trans	-110.8	135.7	-176.6	-67.5	172.6	-118.3	0	0	111.2	R146 Y150 H158 S167 S171 K172 L173	R146-E169 VanDerWaalsContact CD-CD 3.41Å; R146-E169 VanDerWaalsContact CD-CG 3.48Å; R146-E169 WeakPolarHBondContact CD-OE1 3.44Å; R146-E169 HydrophobicContact CG-CG 4.22Å; R146-E169 IonicContact NH1-OE1 2.73Å; R146-E169 PolarHBondContact NH1-OE1 3.47Å; Y150-E169 HydrophobicContact CE2-CG 4.33Å; Y150-E169 WeakPolarHBondContact CE2-OE1 3.48Å; Y150-E169 PolarHBondContact OH-OE1 3.01Å; H158-E169 VanDerWaalsContact CD2-C 3.4Å; S167-E169 VanDerWaalsContact C-N 3.32Å; S167-E169 PolarHBondContact OG-O 2.95Å; E169-S171 VanDerWaalsContact C-N 3.3Å; E169-S171 PolarHBondContact O-N 3.28Å; E169-S171 PolarHBondContact OE2-OG 2.96Å; E169-K172 HydrophobicContact CB-CB 4.31Å; E169-K172 HydrophobicContact CB-CG 3.78Å; E169-K172 HydrophobicContact CG-CG 4.5Å; E169-K172 PolarHBondContact O-N 2.85Å; E169-L173 PolarHBondContact O-N 3.33Å
170	L	93.1	Very high	93	Very high	82 Å²	82	63.6 Å²	63.6	43%	0.429	33%	0.334	S	S	.	.	H	α-helix	trans	-62.4	-35.6	175.8	-178.1	59.9	0	0	0	112.7	H158 K172 L173 K174	H158-L170 PolarHBondContact CD2-N 3.48Å; H158-L170 PolarHBondContact NE2-N 3.13Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 3.14Å; L170-L173 HydrophobicContact CD1-CD2 4.45Å; L170-L173 PolarHBondContact O-N 2.89Å; L170-K174 HydrophobicContact CD1-CG 4.49Å; L170-K174 HydrophobicContact CG-CG 4.46Å; L170-K174 PolarHBondContact O-N 2.9Å
171	S	91.2	Very high	92.8	Very high	69 Å²	69	66.8 Å²	66.8	48%	0.483	35%	0.354	S	S	.	.	H	α-helix	trans	-60.9	-36.6	177.9	60.8	0	0	0	0	112.3	E169 R175	E169-S171 VanDerWaalsContact C-N 3.3Å; E169-S171 PolarHBondContact O-N 3.28Å; E169-S171 PolarHBondContact OE2-OG 2.96Å; S171-R175 WeakPolarHBondContact O-CB 3.06Å; S171-R175 PolarHBondContact O-N 3.12Å
172	K	92.9	Very high	92.7	Very high	64 Å²	64	63.2 Å²	63.2	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-70.9	-38.5	176.8	-58.1	-66.8	177.6	-175.2	0	111	E169 L170 H176	E169-K172 HydrophobicContact CB-CB 4.31Å; E169-K172 HydrophobicContact CB-CG 3.78Å; E169-K172 HydrophobicContact CG-CG 4.5Å; E169-K172 PolarHBondContact O-N 2.85Å; L170-K172 VanDerWaalsContact C-N 3.27Å; L170-K172 PolarHBondContact O-N 3.14Å; K172-H176 WeakPolarHBondContact O-CB 3.33Å; K172-H176 PolarHBondContact O-N 2.89Å
173	L	93.5	Very high	92.8	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-50.7	172.8	-177.9	65	0	0	0	110.8	H158 K159 C160 Y165 S167 E169 L170 R175 H176 M177	H158-L173 HydrophobicContact CB-CB 4.08Å; H158-L173 HydrophobicContact CB-CD2 3.73Å; H158-L173 HydrophobicContact CB-CG 4.48Å; K159-L173 WeakPolarHBondContact O-CD2 3.34Å; C160-L173 HydrophobicContact CB-CD1 3.94Å; Y165-L173 HydrophobicContact CD1-CD1 4.24Å; Y165-L173 HydrophobicContact CE1-CD1 4.49Å; S167-L173 WeakPolarHBondContact OG-CB 3.41Å; S167-L173 PolarHBondContact OG-N 3.45Å; E169-L173 PolarHBondContact O-N 3.33Å; L170-L173 HydrophobicContact CD1-CD2 4.45Å; L170-L173 PolarHBondContact O-N 2.89Å; L173-R175 VanDerWaalsContact C-N 3.28Å; L173-R175 PolarHBondContact O-N 3.37Å; L173-H176 CarbonylContact O-C 3.6Å; L173-H176 WeakPolarHBondContact O-CA 3.47Å; L173-H176 VanDerWaalsContact O-CB 3.31Å; L173-H176 WeakPolarHBondContact O-CB 3.3Å; L173-H176 PolarHBondContact O-N 3.33Å; L173-M177 HydrophobicContact CD1-SD 4.27Å; L173-M177 HydrophobicContact CG-CG 4.45Å; L173-M177 WeakPolarHBondContact O-CG 3.44Å; L173-M177 PolarHBondContact O-N 3.48Å
174	K	91.7	Very high	92.7	Very high	131 Å²	131	67.5 Å²	67.5	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-55.5	-43	177.8	-74	-172.7	176.6	-169.8	0	112.3	L170 H176 M177	L170-K174 HydrophobicContact CD1-CG 4.49Å; L170-K174 HydrophobicContact CG-CG 4.46Å; L170-K174 PolarHBondContact O-N 2.9Å; K174-H176 VanDerWaalsContact C-N 3.32Å; K174-M177 PolarHBondContact O-N 3.13Å
175	R	91.4	Very high	92.6	Very high	82 Å²	82	63.9 Å²	63.9	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-38	174.2	-178.3	-179.6	62.7	173.8	5.8	112.1	S171 L173 R178 D197	S171-R175 WeakPolarHBondContact O-CB 3.06Å; S171-R175 PolarHBondContact O-N 3.12Å; L173-R175 VanDerWaalsContact C-N 3.28Å; L173-R175 PolarHBondContact O-N 3.37Å; R175-R178 WeakPolarHBondContact O-CB 3.33Å; R175-R178 PolarHBondContact O-N 3.49Å; R175-D197 VanDerWaalsContact CD-OD2 3.32Å; R175-D197 WeakPolarHBondContact CD-OD2 3.41Å; R175-D197 HydrophobicContact CG-CB 4.43Å; R175-D197 IonicContact CZ-OD2 3.07Å; R175-D197 IonicContact NE-OD2 3.12Å; R175-D197 IonicContact NH1-OD1 3.99Å; R175-D197 IonicContact NH1-OD2 3.09Å; R175-D197 PolarHBondContact NH1-OD2 3.46Å
176	H	93.6	Very high	92.6	Very high	30 Å²	30	63.3 Å²	63.3	14%	0.139	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-39.4	174.9	163.8	76.1	0	0	0	112	C160 C163 Y165 K172 L173 K174 R178 S179 H180	C160-H176 PolarHBondContact SG-NE2 3.27Å; C160-H176 VanDerWaalsContact SG-NE2 3.38Å; C163-H176 PolarHBondContact SG-CE1 2.99Å; C163-H176 PolarHBondContact SG-NE2 3.5Å; Y165-H176 HydrophobicContact CD1-CB 3.96Å; Y165-H176 AromaticContact CD1-CD2 3.34Å; Y165-H176 WeakPolarHBondContact CD1-CD2 3.38Å; Y165-H176 AromaticContact CD1-CE1 3.91Å; Y165-H176 AromaticContact CD1-CG 3.38Å; Y165-H176 AromaticContact CD1-ND1 3.76Å; Y165-H176 AromaticContact CD1-NE2 3.65Å; Y165-H176 HydrophobicContact CE1-CB 3.66Å; Y165-H176 AromaticContact CE1-CD2 3.97Å; Y165-H176 AromaticContact CE1-CG 3.63Å; Y165-H176 AromaticContact CG-CD2 3.97Å; Y165-H176 AromaticContact CG-CE1 3.76Å; Y165-H176 AromaticContact CG-CG 3.97Å; Y165-H176 AromaticContact CG-ND1 3.85Å; Y165-H176 AromaticContact CG-NE2 3.81Å; K172-H176 WeakPolarHBondContact O-CB 3.33Å; K172-H176 PolarHBondContact O-N 2.89Å; L173-H176 CarbonylContact O-C 3.6Å; L173-H176 WeakPolarHBondContact O-CA 3.47Å; L173-H176 VanDerWaalsContact O-CB 3.31Å; L173-H176 WeakPolarHBondContact O-CB 3.3Å; L173-H176 PolarHBondContact O-N 3.33Å; K174-H176 VanDerWaalsContact C-N 3.32Å; H176-R178 PolarHBondContact O-N 2.88Å; H176-S179 WeakPolarHBondContact O-CB 3.42Å; H176-S179 PolarHBondContact O-N 3.12Å; H176-S179 PolarHBondContact O-OG 2.73Å; H176-H180 AromaticContact CE1-NE2 3.61Å; H176-H180 AromaticContact NE2-CD2 3.68Å; H176-H180 AromaticContact NE2-NE2 3.33Å; H176-H180 PolarHBondContact NE2-NE2 3.25Å
177	M	92.9	Very high	92.6	Very high	45 Å²	45	67.1 Å²	67.1	22%	0.222	34%	0.343	C	S	.	.	H	α-helix	trans	-56.5	-26.3	176	-63.4	-51.1	-63.3	0	0	112.8	C160 L173 K174 S179 H180 T181	C160-M177 HydrophobicContact CB-SD 4.33Å; L173-M177 HydrophobicContact CD1-SD 4.27Å; L173-M177 HydrophobicContact CG-CG 4.45Å; L173-M177 WeakPolarHBondContact O-CG 3.44Å; L173-M177 PolarHBondContact O-N 3.48Å; K174-M177 PolarHBondContact O-N 3.13Å; M177-S179 PolarHBondContact O-N 3.31Å; M177-H180 WeakPolarHBondContact O-CB 3.45Å; M177-H180 PolarHBondContact O-N 3.09Å; M177-T181 PolarHBondContact O-N 3.35Å; M177-T181 VanDerWaalsContact O-N 3.09Å
178	R	93.3	Very high	92.6	Very high	56 Å²	56	67.1 Å²	67.1	21%	0.211	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-19.2	173.1	-58.9	-179.6	-169	128.5	5.4	114.2	R175 H176 H180 G182 E183 P196	R175-R178 WeakPolarHBondContact O-CB 3.33Å; R175-R178 PolarHBondContact O-N 3.49Å; H176-R178 PolarHBondContact O-N 2.88Å; R178-H180 VanDerWaalsContact C-N 3.27Å; R178-G182 CarbonylContact O-C 3.59Å; R178-G182 WeakPolarHBondContact O-CA 3.37Å; R178-G182 PolarHBondContact O-N 2.81Å; R178-E183 HydrophobicContact CB-CB 4.46Å; R178-E183 HydrophobicContact CG-CB 4.36Å; R178-E183 PolarHBondContact O-N 3.39Å; R178-P196 HydrophobicContact CB-CB 4.11Å; R178-P196 WeakPolarHBondContact CD-O 3.45Å; R178-P196 PolarHBondContact NH1-O 3.18Å
179	S	91.5	Very high	92.6	Very high	86 Å²	86	73.5 Å²	73.5	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-74.2	-22.8	171.3	66.7	0	0	0	0	112.7	H176 M177	H176-S179 WeakPolarHBondContact O-CB 3.42Å; H176-S179 PolarHBondContact O-N 3.12Å; H176-S179 PolarHBondContact O-OG 2.73Å; M177-S179 PolarHBondContact O-N 3.31Å
180	H	92.6	Very high	92.4	Very high	60 Å²	60	77.3 Å²	77.3	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-83.3	-50.6	175.1	-73.2	-78.1	0	0	0	111.1	E162 C163 H176 M177 R178 G182	E162-H180 VanDerWaalsContact CB-CE1 3.43Å; E162-H180 WeakPolarHBondContact CB-CE1 3.27Å; E162-H180 WeakPolarHBondContact CB-ND1 3.32Å; E162-H180 WeakPolarHBondContact OE2-CB 3.37Å; E162-H180 IonicContact OE2-CE1 3.79Å; E162-H180 IonicContact OE2-CG 3.16Å; E162-H180 IonicContact OE2-ND1 2.8Å; E162-H180 PolarHBondContact OE2-ND1 3.38Å; C163-H180 PolarHBondContact SG-NE2 3.07Å; C163-H180 VanDerWaalsContact SG-NE2 3.41Å; H176-H180 AromaticContact CE1-NE2 3.61Å; H176-H180 AromaticContact NE2-CD2 3.68Å; H176-H180 AromaticContact NE2-NE2 3.33Å; H176-H180 PolarHBondContact NE2-NE2 3.25Å; M177-H180 WeakPolarHBondContact O-CB 3.45Å; M177-H180 PolarHBondContact O-N 3.09Å; R178-H180 VanDerWaalsContact C-N 3.27Å; H180-G182 VanDerWaalsContact C-N 3.25Å; H180-G182 PolarHBondContact O-N 2.79Å
181	T	91.1	Very high	92.4	Very high	80 Å²	80	75.1 Å²	75.1	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-73.3	-18	179.7	63.9	0	0	0	0	113.4	M177 E183	M177-T181 PolarHBondContact O-N 3.35Å; M177-T181 VanDerWaalsContact O-N 3.09Å; T181-E183 PolarHBondContact O-N 3.32Å; T181-E183 WeakPolarHBondContact OG1-CB 3.33Å; T181-E183 WeakPolarHBondContact OG1-CG 3.45Å; T181-E183 PolarHBondContact OG1-N 2.93Å
182	G	90.1	Very high	92.5	Very high	50 Å²	50	77.9 Å²	77.9	52%	0.515	40%	0.4	S	S	.	.			trans	73.7	4.5	-173.9	0	0	0	0	0	114.1	R178 H180 R184	R178-G182 CarbonylContact O-C 3.59Å; R178-G182 WeakPolarHBondContact O-CA 3.37Å; R178-G182 PolarHBondContact O-N 2.81Å; H180-G182 VanDerWaalsContact C-N 3.25Å; H180-G182 PolarHBondContact O-N 2.79Å; G182-R184 PolarHBondContact O-N 3.1Å
183	E	91.9	Very high	92.5	Very high	115 Å²	115	78.5 Å²	78.5	54%	0.537	40%	0.401	S	S	.	.			trans	-61	130.8	-178.1	-77.4	178	-169.4	0	0	112.7	R178 T181	R178-E183 HydrophobicContact CB-CB 4.46Å; R178-E183 HydrophobicContact CG-CB 4.36Å; R178-E183 PolarHBondContact O-N 3.39Å; T181-E183 PolarHBondContact O-N 3.32Å; T181-E183 WeakPolarHBondContact OG1-CB 3.33Å; T181-E183 WeakPolarHBondContact OG1-CG 3.45Å; T181-E183 PolarHBondContact OG1-N 2.93Å
184	R	92.8	Very high	92.5	Very high	139 Å²	139	78.2 Å²	78.2	53%	0.525	40%	0.402	S	S	.	.			trans	-128.5	75	178.1	-68.8	171.4	166.5	-143.5	14	110.1	G182 Y186 A194 S195	G182-R184 PolarHBondContact O-N 3.1Å; R184-Y186 PolarHBondContact O-N 2.98Å; R184-A194 HydrophobicContact CB-CB 3.44Å; R184-A194 VanDerWaalsContact CB-CB 3.44Å; R184-A194 VanDerWaalsContact CD-O 3.31Å; R184-A194 WeakPolarHBondContact CD-O 3.49Å; R184-A194 HydrophobicContact CG-CB 4.37Å; R184-A194 PolarHBondContact NH1-O 3.46Å; R184-S195 CarbonylContact C-O 3.57Å; R184-S195 WeakPolarHBondContact CA-O 3.33Å
185	P	90.3	Very high	92.5	Very high	76 Å²	76	72 Å²	72	49%	0.494	38%	0.375	S	S	.	.			trans	-69	-15.9	-172.6	27	-35	0	0	0	113.9
186	Y	93.9	Very high	92.5	Very high	78 Å²	78	70 Å²	70	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	92.6	-175.5	-52.6	-68.6	0	0	0	110.8	R184 A194 S195 D197 T198	R184-Y186 PolarHBondContact O-N 2.98Å; Y186-A194 CarbonylContact O-C 3.58Å; Y186-A194 WeakPolarHBondContact O-CA 3.45Å; Y186-S195 WeakPolarHBondContact CB-O 3.34Å; Y186-S195 WeakPolarHBondContact CD2-O 3.34Å; Y186-S195 PolarHBondContact N-O 3.34Å; Y186-S195 VanDerWaalsContact N-O 3.16Å; Y186-S195 PolarHBondContact O-N 3.16Å; Y186-D197 VanDerWaalsContact CD2-C 3.5Å; Y186-T198 HydrophobicContact CD1-CG2 3.71Å; Y186-T198 HydrophobicContact CD2-CG2 4.16Å; Y186-T198 HydrophobicContact CE1-CG2 3.34Å; Y186-T198 HydrophobicContact CE2-CG2 3.82Å; Y186-T198 HydrophobicContact CG-CG2 4.1Å
187	Q	94.1	Very high	92.4	Very high	98 Å²	98	69.4 Å²	69.4	46%	0.458	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.2	178.4	-172.1	58.7	36	0	0	111.9	C191 P192 Y193	Q187-C191 PolarHBondContact NE2-O 3.28Å; Q187-C191 VanDerWaalsContact NE2-O 3.1Å; Q187-P192 PolarHBondContact NE2-O 2.86Å; Q187-P192 VanDerWaalsContact NE2-O 3.11Å; Q187-Y193 PolarHBondContact NE2-O 3.5Å
188	C	94.4	Very high	92.3	Very high	5 Å²	5	71 Å²	71	3%	0.034	38%	0.383	C	S	.	.			trans	-75.5	134.8	166.7	-177.5	0	0	0	0	110.6	H190 Y193 L201 H204 H208	C188-H190 VanDerWaalsContact C-N 3.3Å; C188-H190 PolarHBondContact O-N 3.24Å; C188-H190 PolarHBondContact SG-N 3.45Å; C188-H190 VanDerWaalsContact SG-N 3.38Å; C188-Y193 WeakPolarHBondContact CB-O 3.44Å; C188-Y193 PolarHBondContact N-O 3.01Å; C188-L201 HydrophobicContact CB-CD1 3.95Å; C188-H204 PolarHBondContact SG-NE2 3Å; C188-H204 VanDerWaalsContact SG-NE2 3.4Å; C188-H208 PolarHBondContact SG-NE2 3.41Å; C188-H208 VanDerWaalsContact SG-NE2 3.39Å
189	I	93.3	Very high	92.2	Very high	139 Å²	139	74.7 Å²	74.7	71%	0.713	40%	0.398	S	S	*	.	S	Bend	trans	-73.6	-19.3	178	58.6	168.4	0	0	0	113.8	M205	I189-M205 HydrophobicContact CD1-CE 4.34Å; I189-M205 HydrophobicContact CG1-CE 3.98Å
190	H	91.6	Very high	92.2	Very high	119 Å²	119	74.3 Å²	74.3	55%	0.551	39%	0.385	S	S	*	.	S	Bend	trans	-107.5	-8.1	-173.8	-61.7	-52.5	0	0	0	113.8	C188 H208	C188-H190 VanDerWaalsContact C-N 3.3Å; C188-H190 PolarHBondContact O-N 3.24Å; C188-H190 PolarHBondContact SG-N 3.45Å; C188-H190 VanDerWaalsContact SG-N 3.38Å; H190-H208 AromaticContact CD2-CG 3.86Å
191	C	93	Very high	92.2	Very high	36 Å²	36	72.8 Å²	72.8	24%	0.243	38%	0.379	C	S	.	.	S	Bend	trans	-156.9	165.2	179.7	76.1	0	0	0	0	110.9	Q187 Y193 H204 H208	Q187-C191 PolarHBondContact NE2-O 3.28Å; Q187-C191 VanDerWaalsContact NE2-O 3.1Å; C191-Y193 PolarHBondContact O-N 2.8Å; C191-Y193 WeakPolarHBondContact SG-CB 3.36Å; C191-H204 PolarHBondContact SG-CE1 3.31Å; C191-H204 PolarHBondContact SG-NE2 2.82Å; C191-H208 PolarHBondContact SG-NE2 2.81Å; C191-H208 VanDerWaalsContact SG-NE2 3.45Å
192	P	92.7	Very high	92.3	Very high	127 Å²	127	76.3 Å²	76.3	83%	0.825	39%	0.387	S	S	*	.	S	Bend	trans	-69	1.6	-179.6	28.1	-36	0	0	0	113.9	Q187 A194	Q187-P192 PolarHBondContact NE2-O 2.86Å; Q187-P192 VanDerWaalsContact NE2-O 3.11Å; P192-A194 PolarHBondContact O-N 2.83Å
193	Y	93.6	Very high	92.5	Very high	77 Å²	77	77.3 Å²	77.3	30%	0.302	38%	0.376	S	S	.	.			trans	-67.2	122.3	179.3	-179.9	-100.2	0	0	0	112.3	Q187 C188 C191 H204	Q187-Y193 PolarHBondContact NE2-O 3.5Å; C188-Y193 WeakPolarHBondContact CB-O 3.44Å; C188-Y193 PolarHBondContact N-O 3.01Å; C191-Y193 PolarHBondContact O-N 2.8Å; C191-Y193 WeakPolarHBondContact SG-CB 3.36Å; Y193-H204 HydrophobicContact CD1-CB 4.03Å; Y193-H204 AromaticContact CD1-CD2 3.45Å; Y193-H204 VanDerWaalsContact CD1-CD2 3.45Å; Y193-H204 WeakPolarHBondContact CD1-CD2 3.47Å; Y193-H204 AromaticContact CD1-CE1 3.63Å; Y193-H204 AromaticContact CD1-CG 3.36Å; Y193-H204 AromaticContact CD1-ND1 3.49Å; Y193-H204 WeakPolarHBondContact CD1-ND1 3.4Å; Y193-H204 AromaticContact CD1-NE2 3.6Å; Y193-H204 HydrophobicContact CE1-CB 3.7Å; Y193-H204 AromaticContact CE1-CG 3.56Å; Y193-H204 AromaticContact CE1-ND1 3.85Å; Y193-H204 AromaticContact CG-CE1 3.71Å; Y193-H204 AromaticContact CG-ND1 3.84Å; Y193-H204 AromaticContact CG-NE2 3.96Å
194	A	93.4	Very high	92.6	Very high	14 Å²	14	73.4 Å²	73.4	12%	0.116	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.5	170.5	0	0	0	0	0	111.1	R184 Y186 P192	R184-A194 HydrophobicContact CB-CB 3.44Å; R184-A194 VanDerWaalsContact CB-CB 3.44Å; R184-A194 VanDerWaalsContact CD-O 3.31Å; R184-A194 WeakPolarHBondContact CD-O 3.49Å; R184-A194 HydrophobicContact CG-CB 4.37Å; R184-A194 PolarHBondContact NH1-O 3.46Å; Y186-A194 CarbonylContact O-C 3.58Å; Y186-A194 WeakPolarHBondContact O-CA 3.45Å; P192-A194 PolarHBondContact O-N 2.83Å
195	S	91.9	Very high	92.6	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.2	-178.2	176.4	0	0	0	0	112.6	R184 Y186 D197 K200 L201	R184-S195 CarbonylContact C-O 3.57Å; R184-S195 WeakPolarHBondContact CA-O 3.33Å; Y186-S195 WeakPolarHBondContact CB-O 3.34Å; Y186-S195 WeakPolarHBondContact CD2-O 3.34Å; Y186-S195 PolarHBondContact N-O 3.34Å; Y186-S195 VanDerWaalsContact N-O 3.16Å; Y186-S195 PolarHBondContact O-N 3.16Å; S195-D197 PolarHBondContact O-N 3.17Å; S195-D197 PolarHBondContact OG-N 3.48Å; S195-D197 VanDerWaalsContact OG-N 3.13Å; S195-D197 PolarHBondContact OG-O 2.96Å; S195-K200 VanDerWaalsContact OG-CB 3.28Å; S195-K200 WeakPolarHBondContact OG-CB 3.31Å; S195-L201 PolarHBondContact OG-N 3.11Å
196	P	90.8	Very high	92.8	Very high	41 Å²	41	67.2 Å²	67.2	27%	0.266	33%	0.326	S	S	.	.	S	Bend	trans	-75.4	-10.6	171.8	32.2	-35.8	0	0	0	113.5	R178	R178-P196 HydrophobicContact CB-CB 4.11Å; R178-P196 WeakPolarHBondContact CD-O 3.45Å; R178-P196 PolarHBondContact NH1-O 3.18Å
197	D	90.5	Very high	92.7	Very high	17 Å²	17	68.8 Å²	68.8	9%	0.091	34%	0.344	C	S	.	.	S	Bend	trans	-141.9	141	-174.7	-169.7	8.6	0	0	0	112.4	R175 Y186 S195 Y199 K200 L201	R175-D197 VanDerWaalsContact CD-OD2 3.32Å; R175-D197 WeakPolarHBondContact CD-OD2 3.41Å; R175-D197 HydrophobicContact CG-CB 4.43Å; R175-D197 IonicContact CZ-OD2 3.07Å; R175-D197 IonicContact NE-OD2 3.12Å; R175-D197 IonicContact NH1-OD1 3.99Å; R175-D197 IonicContact NH1-OD2 3.09Å; R175-D197 PolarHBondContact NH1-OD2 3.46Å; Y186-D197 VanDerWaalsContact CD2-C 3.5Å; S195-D197 PolarHBondContact O-N 3.17Å; S195-D197 PolarHBondContact OG-N 3.48Å; S195-D197 VanDerWaalsContact OG-N 3.13Å; S195-D197 PolarHBondContact OG-O 2.96Å; D197-Y199 VanDerWaalsContact C-N 3.3Å; D197-Y199 PolarHBondContact O-N 2.82Å; D197-Y199 PolarHBondContact OD1-N 2.96Å; D197-K200 HydrophobicContact CB-CB 4.26Å; D197-K200 HydrophobicContact CB-CG 3.92Å; D197-K200 PolarHBondContact O-N 3.31Å; D197-L201 PolarHBondContact O-N 3.27Å
198	T	91.4	Very high	92.7	Very high	78 Å²	78	67.6 Å²	67.6	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-37.1	177.9	57	0	0	0	0	111.6	Y186 K200 L201 K202	Y186-T198 HydrophobicContact CD1-CG2 3.71Å; Y186-T198 HydrophobicContact CD2-CG2 4.16Å; Y186-T198 HydrophobicContact CE1-CG2 3.34Å; Y186-T198 HydrophobicContact CE2-CG2 3.82Å; Y186-T198 HydrophobicContact CG-CG2 4.1Å; T198-K200 VanDerWaalsContact C-N 3.33Å; T198-K200 PolarHBondContact O-N 3.21Å; T198-L201 PolarHBondContact O-N 3.13Å; T198-K202 WeakPolarHBondContact O-CB 3.28Å; T198-K202 PolarHBondContact O-N 2.72Å
199	Y	90.8	Very high	92.6	Very high	134 Å²	134	71.2 Å²	71.2	53%	0.525	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-42.1	177.2	177.4	-94.6	0	0	0	111.7	D197 K202 R203	D197-Y199 VanDerWaalsContact C-N 3.3Å; D197-Y199 PolarHBondContact O-N 2.82Å; D197-Y199 PolarHBondContact OD1-N 2.96Å; Y199-K202 PolarHBondContact O-N 3.16Å; Y199-R203 WeakPolarHBondContact O-CB 3.36Å; Y199-R203 PolarHBondContact O-N 2.99Å
200	K	91.9	Very high	92.5	Very high	77 Å²	77	66.8 Å²	66.8	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-36.7	179.6	-60.5	-70.7	-178.4	-178.6	0	110.7	S195 D197 T198 R203 H204	S195-K200 VanDerWaalsContact OG-CB 3.28Å; S195-K200 WeakPolarHBondContact OG-CB 3.31Å; D197-K200 HydrophobicContact CB-CB 4.26Å; D197-K200 HydrophobicContact CB-CG 3.92Å; D197-K200 PolarHBondContact O-N 3.31Å; T198-K200 VanDerWaalsContact C-N 3.33Å; T198-K200 PolarHBondContact O-N 3.21Å; K200-R203 PolarHBondContact O-N 3.47Å; K200-H204 WeakPolarHBondContact O-CB 3.41Å; K200-H204 PolarHBondContact O-N 3.42Å
201	L	93.1	Very high	92.5	Very high	29 Å²	29	66.4 Å²	66.4	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-51.2	171.6	-179.1	62.3	0	0	0	111.2	C188 S195 D197 T198 R203 H204 M205	C188-L201 HydrophobicContact CB-CD1 3.95Å; S195-L201 PolarHBondContact OG-N 3.11Å; D197-L201 PolarHBondContact O-N 3.27Å; T198-L201 PolarHBondContact O-N 3.13Å; L201-R203 PolarHBondContact O-N 3.16Å; L201-H204 CarbonylContact O-C 3.58Å; L201-H204 WeakPolarHBondContact O-CA 3.35Å; L201-H204 VanDerWaalsContact O-CB 3.32Å; L201-H204 WeakPolarHBondContact O-CB 3.48Å; L201-H204 PolarHBondContact O-N 3.16Å; L201-M205 HydrophobicContact CD1-SD 4.29Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.33Å
202	K	93.1	Very high	92.5	Very high	153 Å²	153	69.9 Å²	69.9	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-56.5	-39.6	178.2	-175.2	172.7	-175.7	172.2	0	112.1	T198 Y199 M205	T198-K202 WeakPolarHBondContact O-CB 3.28Å; T198-K202 PolarHBondContact O-N 2.72Å; Y199-K202 PolarHBondContact O-N 3.16Å; K202-M205 PolarHBondContact O-N 3.03Å
203	R	93.6	Very high	92.4	Very high	72 Å²	72	66.8 Å²	66.8	27%	0.272	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-40.5	173.2	-176.9	-175.6	67.6	167.1	1.9	112	Y199 K200 L201 R206 Q225	Y199-R203 WeakPolarHBondContact O-CB 3.36Å; Y199-R203 PolarHBondContact O-N 2.99Å; K200-R203 PolarHBondContact O-N 3.47Å; L201-R203 PolarHBondContact O-N 3.16Å; R203-R206 VanDerWaalsContact O-CB 3.31Å; R203-R206 WeakPolarHBondContact O-CB 3.29Å; R203-R206 WeakPolarHBondContact O-CG 3.46Å; R203-R206 PolarHBondContact O-N 3.02Å; R203-Q225 HydrophobicContact CG-CG 4.34Å
204	H	93.8	Very high	92.5	Very high	32 Å²	32	66.4 Å²	66.4	15%	0.148	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-37.8	176.1	164.5	82.4	0	0	0	112.2	C188 C191 Y193 K200 L201 R206 V207 H208	C188-H204 PolarHBondContact SG-NE2 3Å; C188-H204 VanDerWaalsContact SG-NE2 3.4Å; C191-H204 PolarHBondContact SG-CE1 3.31Å; C191-H204 PolarHBondContact SG-NE2 2.82Å; Y193-H204 HydrophobicContact CD1-CB 4.03Å; Y193-H204 AromaticContact CD1-CD2 3.45Å; Y193-H204 VanDerWaalsContact CD1-CD2 3.45Å; Y193-H204 WeakPolarHBondContact CD1-CD2 3.47Å; Y193-H204 AromaticContact CD1-CE1 3.63Å; Y193-H204 AromaticContact CD1-CG 3.36Å; Y193-H204 AromaticContact CD1-ND1 3.49Å; Y193-H204 WeakPolarHBondContact CD1-ND1 3.4Å; Y193-H204 AromaticContact CD1-NE2 3.6Å; Y193-H204 HydrophobicContact CE1-CB 3.7Å; Y193-H204 AromaticContact CE1-CG 3.56Å; Y193-H204 AromaticContact CE1-ND1 3.85Å; Y193-H204 AromaticContact CG-CE1 3.71Å; Y193-H204 AromaticContact CG-ND1 3.84Å; Y193-H204 AromaticContact CG-NE2 3.96Å; K200-H204 WeakPolarHBondContact O-CB 3.41Å; K200-H204 PolarHBondContact O-N 3.42Å; L201-H204 CarbonylContact O-C 3.58Å; L201-H204 WeakPolarHBondContact O-CA 3.35Å; L201-H204 VanDerWaalsContact O-CB 3.32Å; L201-H204 WeakPolarHBondContact O-CB 3.48Å; L201-H204 PolarHBondContact O-N 3.16Å; H204-R206 PolarHBondContact O-N 3.43Å; H204-V207 VanDerWaalsContact O-CB 3.28Å; H204-V207 WeakPolarHBondContact O-CB 3.43Å; H204-V207 WeakPolarHBondContact O-CG2 3.36Å; H204-V207 PolarHBondContact O-N 3.2Å; H204-H208 AromaticContact CE1-NE2 3.92Å; H204-H208 AromaticContact NE2-CD2 3.87Å; H204-H208 AromaticContact NE2-NE2 3.38Å; H204-H208 PolarHBondContact NE2-NE2 2.76Å
205	M	93.5	Very high	92.5	Very high	43 Å²	43	69.4 Å²	69.4	21%	0.212	35%	0.348	C	S	.	.	H	α-helix	trans	-55.2	-24.4	176.7	-64.9	-54	-67.5	0	0	113.3	I189 L201 K202 V207 H208 T209	I189-M205 HydrophobicContact CD1-CE 4.34Å; I189-M205 HydrophobicContact CG1-CE 3.98Å; L201-M205 HydrophobicContact CD1-SD 4.29Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.33Å; K202-M205 PolarHBondContact O-N 3.03Å; M205-V207 PolarHBondContact O-N 2.92Å; M205-H208 WeakPolarHBondContact O-CB 3.08Å; M205-H208 PolarHBondContact O-N 3.17Å; M205-T209 PolarHBondContact O-N 3.36Å; M205-T209 PolarHBondContact O-OG1 3.25Å
206	R	94.5	Very high	92.5	Very high	42 Å²	42	69.4 Å²	69.4	16%	0.158	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-20	173.9	-58.1	178	-175.7	-171.6	-7.2	113.9	R203 H204 H208 T209 G210 E211 T224	R203-R206 VanDerWaalsContact O-CB 3.31Å; R203-R206 WeakPolarHBondContact O-CB 3.29Å; R203-R206 WeakPolarHBondContact O-CG 3.46Å; R203-R206 PolarHBondContact O-N 3.02Å; H204-R206 PolarHBondContact O-N 3.43Å; R206-H208 VanDerWaalsContact C-N 3.31Å; R206-T209 WeakPolarHBondContact CA-OG1 3.15Å; R206-G210 WeakPolarHBondContact O-CA 3.34Å; R206-G210 PolarHBondContact O-N 3.17Å; R206-E211 HydrophobicContact CG-CB 4.41Å; R206-T224 PolarHBondContact NH1-O 3.12Å
207	V	92.9	Very high	92.5	Very high	111 Å²	111	74 Å²	74	67%	0.673	37%	0.366	S	S	*	.	H	α-helix	trans	-69.4	-34.8	172.4	179.9	0	0	0	0	110.4	H204 M205	H204-V207 VanDerWaalsContact O-CB 3.28Å; H204-V207 WeakPolarHBondContact O-CB 3.43Å; H204-V207 WeakPolarHBondContact O-CG2 3.36Å; H204-V207 PolarHBondContact O-N 3.2Å; M205-V207 PolarHBondContact O-N 2.92Å
208	H	93.5	Very high	92.3	Very high	73 Å²	73	78.8 Å²	78.8	34%	0.338	39%	0.391	S	S	.	.	H	α-helix	trans	-82.4	-42.6	177.6	-62.7	-64.5	0	0	0	112.1	C188 H190 C191 H204 M205 R206 G210	C188-H208 PolarHBondContact SG-NE2 3.41Å; C188-H208 VanDerWaalsContact SG-NE2 3.39Å; H190-H208 AromaticContact CD2-CG 3.86Å; C191-H208 PolarHBondContact SG-NE2 2.81Å; C191-H208 VanDerWaalsContact SG-NE2 3.45Å; H204-H208 AromaticContact CE1-NE2 3.92Å; H204-H208 AromaticContact NE2-CD2 3.87Å; H204-H208 AromaticContact NE2-NE2 3.38Å; H204-H208 PolarHBondContact NE2-NE2 2.76Å; M205-H208 WeakPolarHBondContact O-CB 3.08Å; M205-H208 PolarHBondContact O-N 3.17Å; R206-H208 VanDerWaalsContact C-N 3.31Å; H208-G210 VanDerWaalsContact C-N 3.31Å
209	T	91.7	Very high	92.2	Very high	81 Å²	81	77.4 Å²	77.4	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-79.4	-15.6	-179.7	64.3	0	0	0	0	113.4	M205 R206 E211	M205-T209 PolarHBondContact O-N 3.36Å; M205-T209 PolarHBondContact O-OG1 3.25Å; R206-T209 WeakPolarHBondContact CA-OG1 3.15Å; T209-E211 PolarHBondContact O-N 3.1Å; T209-E211 WeakPolarHBondContact OG1-CG 3.36Å; T209-E211 PolarHBondContact OG1-N 3Å
210	G	90.8	Very high	92.1	Very high	46 Å²	46	76.2 Å²	76.2	47%	0.474	38%	0.383	S	S	.	.			trans	69.6	5.6	-174.2	0	0	0	0	0	114.3	R206 H208 K212	R206-G210 WeakPolarHBondContact O-CA 3.34Å; R206-G210 PolarHBondContact O-N 3.17Å; H208-G210 VanDerWaalsContact C-N 3.31Å; G210-K212 PolarHBondContact O-N 2.89Å
211	E	92.2	Very high	92	Very high	111 Å²	111	77.6 Å²	77.6	52%	0.519	39%	0.39	S	S	.	.			trans	-60.8	127.8	-176.8	-78.3	177.4	-164.9	0	0	112.5	R206 T209 P213	R206-E211 HydrophobicContact CG-CB 4.41Å; T209-E211 PolarHBondContact O-N 3.1Å; T209-E211 WeakPolarHBondContact OG1-CG 3.36Å; T209-E211 PolarHBondContact OG1-N 3Å; E211-P213 WeakPolarHBondContact O-CD 3.42Å
212	K	92.8	Very high	92	Very high	110 Å²	110	82.6 Å²	82.6	48%	0.478	41%	0.407	S	S	.	.			trans	-122.8	81.8	175.8	-66.2	167.6	-179.3	-175.6	0	110.2	G210 Y214 R222 F223 T224	G210-K212 PolarHBondContact O-N 2.89Å; K212-Y214 VanDerWaalsContact C-N 3.29Å; K212-Y214 PolarHBondContact O-N 2.87Å; K212-R222 HydrophobicContact CB-CB 3.56Å; K212-R222 HydrophobicContact CD-CB 4.24Å; K212-R222 PolarHBondContact O-NE 2.87Å; K212-F223 CarbonylContact C-O 3.53Å; K212-F223 WeakPolarHBondContact CA-O 3.32Å; K212-T224 HydrophobicContact CG-CG2 3.79Å
213	P	91.6	Very high	92	Very high	61 Å²	61	77.1 Å²	77.1	40%	0.396	38%	0.383	S	S	.	.			trans	-70.1	-22.9	-171.6	-21.6	34.8	0	0	0	114.2	E211	E211-P213 WeakPolarHBondContact O-CD 3.42Å
214	Y	94.7	Very high	91.9	Very high	69 Å²	69	76.1 Å²	76.1	27%	0.271	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.8	-170.9	-56.1	-76.9	0	0	0	110.4	K212 R222 F223 Q225 S226	K212-Y214 VanDerWaalsContact C-N 3.29Å; K212-Y214 PolarHBondContact O-N 2.87Å; Y214-R222 CarbonylContact O-C 3.48Å; Y214-R222 WeakPolarHBondContact O-CA 3.49Å; Y214-F223 PolarHBondContact N-O 3.44Å; Y214-F223 VanDerWaalsContact N-O 3.13Å; Y214-F223 PolarHBondContact O-N 2.89Å; Y214-Q225 VanDerWaalsContact CE2-C 3.5Å; Y214-S226 VanDerWaalsContact CD2-N 3.28Å
215	Q	94.2	Very high	91.9	Very high	77 Å²	77	77.5 Å²	77.5	36%	0.36	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.7	-178.3	-174.3	163.9	6.3	0	0	111	Q220 Q221 R222 L229	Q215-Q220 VanDerWaalsContact CD-OE1 3.3Å; Q215-Q221 CarbonylContact C-O 3.48Å; Q215-Q221 WeakPolarHBondContact CA-O 3.28Å; Q215-R222 HydrophobicContact CB-CG 4.16Å; Q215-R222 HydrophobicContact CG-CG 4.04Å; Q215-L229 WeakPolarHBondContact O-CD2 3.32Å
216	C	90.5	Very high	91.9	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.395	C	S	.	.			trans	-79	123.1	168.6	-174	0	0	0	0	109.3	I218 Q220 Q221 F223 L229 H232 H236	C216-I218 PolarHBondContact O-N 3.42Å; C216-Q220 WeakPolarHBondContact O-CA 3.39Å; C216-Q220 PolarHBondContact O-N 3.17Å; C216-Q221 PolarHBondContact N-O 3.29Å; C216-F223 HydrophobicContact CB-CE2 4.38Å; C216-L229 HydrophobicContact CB-CD1 3.66Å; C216-H232 WeakPolarHBondContact CB-NE2 3.33Å; C216-H232 VanDerWaalsContact SG-CD2 3.51Å; C216-H232 PolarHBondContact SG-NE2 3.39Å; C216-H236 PolarHBondContact SG-CD2 2.88Å; C216-H236 PolarHBondContact SG-NE2 3.17Å
217	E	90.4	Very high	91.7	Very high	138 Å²	138	80.8 Å²	80.8	65%	0.645	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.6	179.4	-66.3	142	-118.7	0	0	112.8	Q220 K233	E217-Q220 PolarHBondContact O-NE2 3.41Å; E217-K233 IonicContact OE1-NZ 3.3Å; E217-K233 PolarHBondContact OE1-NZ 3.1Å
218	I	86.7	Confident	91.5	Very high	118 Å²	118	77.8 Å²	77.8	61%	0.605	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-45.4	-173.7	-57.5	170.8	0	0	0	111.9	C216 H236	C216-I218 PolarHBondContact O-N 3.42Å; I218-H236 HydrophobicContact CD1-CB 3.49Å; I218-H236 VanDerWaalsContact CD1-CB 3.49Å; I218-H236 HydrophobicContact CG2-CB 4.49Å; I218-H236 WeakPolarHBondContact CG2-ND1 3.42Å
219	C	89	Confident	91.4	Very high	49 Å²	49	75.1 Å²	75.1	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	6	179.9	67.8	0	0	0	0	114.6	Q221 H232 H236	C219-Q221 PolarHBondContact O-N 3.26Å; C219-Q221 VanDerWaalsContact SG-CG 3.55Å; C219-H232 PolarHBondContact SG-CE1 3.39Å; C219-H232 PolarHBondContact SG-NE2 2.99Å; C219-H236 PolarHBondContact SG-NE2 2.83Å; C219-H236 VanDerWaalsContact SG-NE2 3.38Å
220	Q	90	Very high	91.2	Very high	109 Å²	109	77 Å²	77	51%	0.509	39%	0.39	S	S	.	.			trans	59.8	9.4	-180	-52.8	-60.7	-14.5	0	0	115.1	Q215 C216 E217 R222	Q215-Q220 VanDerWaalsContact CD-OE1 3.3Å; C216-Q220 WeakPolarHBondContact O-CA 3.39Å; C216-Q220 PolarHBondContact O-N 3.17Å; E217-Q220 PolarHBondContact O-NE2 3.41Å; Q220-R222 PolarHBondContact O-N 3.42Å
221	Q	89.5	Confident	90.9	Very high	106 Å²	106	77.4 Å²	77.4	50%	0.495	39%	0.388	S	S	.	.			trans	-65.9	135.7	174.6	-74	-169.5	15.1	0	0	111.3	Q215 C216 C219 F223	Q215-Q221 CarbonylContact C-O 3.48Å; Q215-Q221 WeakPolarHBondContact CA-O 3.28Å; C216-Q221 PolarHBondContact N-O 3.29Å; C219-Q221 PolarHBondContact O-N 3.26Å; C219-Q221 VanDerWaalsContact SG-CG 3.55Å; Q221-F223 HydrophobicContact CB-CE2 3.95Å; Q221-F223 HydrophobicContact CB-CZ 4.04Å; Q221-F223 WeakPolarHBondContact O-CE2 3.45Å
222	R	93	Very high	90.5	Very high	134 Å²	134	73 Å²	73	51%	0.506	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.8	-178.1	-54.5	-177.9	74.9	140.6	5	111.9	K212 Y214 Q215 Q220	K212-R222 HydrophobicContact CB-CB 3.56Å; K212-R222 HydrophobicContact CD-CB 4.24Å; K212-R222 PolarHBondContact O-NE 2.87Å; Y214-R222 CarbonylContact O-C 3.48Å; Y214-R222 WeakPolarHBondContact O-CA 3.49Å; Q215-R222 HydrophobicContact CB-CG 4.16Å; Q215-R222 HydrophobicContact CG-CG 4.04Å; Q220-R222 PolarHBondContact O-N 3.42Å
223	F	92.5	Very high	90.1	Very high	37 Å²	37	71.3 Å²	71.3	16%	0.162	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	-176.7	-59.1	-86.2	0	0	0	111.2	K212 Y214 C216 Q221 Q225 L229 H232	K212-F223 CarbonylContact C-O 3.53Å; K212-F223 WeakPolarHBondContact CA-O 3.32Å; Y214-F223 PolarHBondContact N-O 3.44Å; Y214-F223 VanDerWaalsContact N-O 3.13Å; Y214-F223 PolarHBondContact O-N 2.89Å; C216-F223 HydrophobicContact CB-CE2 4.38Å; Q221-F223 HydrophobicContact CB-CE2 3.95Å; Q221-F223 HydrophobicContact CB-CZ 4.04Å; Q221-F223 WeakPolarHBondContact O-CE2 3.45Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-L229 HydrophobicContact CB-CB 4.38Å; F223-L229 HydrophobicContact CD2-CB 3.84Å; F223-L229 HydrophobicContact CD2-CD1 3.78Å; F223-L229 HydrophobicContact CD2-CG 4.41Å; F223-L229 HydrophobicContact CE2-CD1 3.88Å; F223-L229 HydrophobicContact CG-CB 4.26Å; F223-H232 HydrophobicContact CE1-CB 3.99Å; F223-H232 HydrophobicContact CE2-CB 3.89Å; F223-H232 AromaticContact CE2-CD2 3.59Å; F223-H232 AromaticContact CE2-CG 3.62Å; F223-H232 HydrophobicContact CZ-CB 3.46Å; F223-H232 VanDerWaalsContact CZ-CB 3.46Å; F223-H232 AromaticContact CZ-CD2 3.68Å; F223-H232 AromaticContact CZ-CE1 3.97Å; F223-H232 AromaticContact CZ-CG 3.23Å; F223-H232 AromaticContact CZ-ND1 3.46Å; F223-H232 WeakPolarHBondContact CZ-ND1 3.47Å
224	T	92.8	Very high	89.6	Confident	51 Å²	51	71.6 Å²	71.6	31%	0.313	36%	0.358	S	S	.	.	S	Bend	trans	-76.8	-19.7	176.5	58	0	0	0	0	112.6	R206 K212	R206-T224 PolarHBondContact NH1-O 3.12Å; K212-T224 HydrophobicContact CG-CG2 3.79Å
225	Q	93.6	Very high	88.8	Confident	61 Å²	61	73.2 Å²	73.2	29%	0.285	37%	0.37	S	S	.	.	S	Bend	trans	-135.1	143.3	-176.7	-56.2	-173	21.2	0	0	112.1	R203 Y214 F223 N227 S228 L229	R203-Q225 HydrophobicContact CG-CG 4.34Å; Y214-Q225 VanDerWaalsContact CE2-C 3.5Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; Q225-N227 VanDerWaalsContact C-N 3.33Å; Q225-N227 PolarHBondContact O-N 2.9Å; Q225-S228 WeakPolarHBondContact O-CB 3.4Å; Q225-S228 PolarHBondContact O-N 2.85Å; Q225-L229 PolarHBondContact O-N 2.98Å
226	S	93.1	Very high	88	Confident	40 Å²	40	72.8 Å²	72.8	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-38.9	179.4	179.3	0	0	0	0	112.1	Y214 S228 L229 K230	Y214-S226 VanDerWaalsContact CD2-N 3.28Å; S226-S228 VanDerWaalsContact C-N 3.25Å; S226-S228 PolarHBondContact O-N 3.2Å; S226-L229 WeakPolarHBondContact O-CB 3.41Å; S226-L229 PolarHBondContact O-N 2.97Å; S226-L229 VanDerWaalsContact O-N 3.11Å; S226-K230 PolarHBondContact O-N 2.97Å
227	N	89.2	Confident	87.3	Confident	114 Å²	114	77.1 Å²	77.1	61%	0.61	40%	0.399	S	S	*	.	H	α-helix	trans	-63.8	-32.4	178.5	-67.2	-4	0	0	0	112.4	Q225 K230 A231	Q225-N227 VanDerWaalsContact C-N 3.33Å; Q225-N227 PolarHBondContact O-N 2.9Å; N227-K230 PolarHBondContact O-N 3.35Å; N227-A231 WeakPolarHBondContact O-CB 3.5Å; N227-A231 PolarHBondContact O-N 3Å
228	S	89.4	Confident	86.2	Confident	48 Å²	48	73.6 Å²	73.6	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-67.9	-41.7	173.7	-54.8	0	0	0	0	111.3	Q225 S226 A231 H232	Q225-S228 WeakPolarHBondContact O-CB 3.4Å; Q225-S228 PolarHBondContact O-N 2.85Å; S226-S228 VanDerWaalsContact C-N 3.25Å; S226-S228 PolarHBondContact O-N 3.2Å; S228-A231 PolarHBondContact O-N 3.15Å; S228-H232 VanDerWaalsContact O-CB 3.29Å; S228-H232 WeakPolarHBondContact O-CB 3.44Å; S228-H232 PolarHBondContact O-N 3.47Å
229	L	90.8	Very high	85.2	Confident	18 Å²	18	71.1 Å²	71.1	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-45	172.8	173.5	62.2	0	0	0	111.5	Q215 C216 F223 Q225 S226 A231 H232 K233	Q215-L229 WeakPolarHBondContact O-CD2 3.32Å; C216-L229 HydrophobicContact CB-CD1 3.66Å; F223-L229 HydrophobicContact CB-CB 4.38Å; F223-L229 HydrophobicContact CD2-CB 3.84Å; F223-L229 HydrophobicContact CD2-CD1 3.78Å; F223-L229 HydrophobicContact CD2-CG 4.41Å; F223-L229 HydrophobicContact CE2-CD1 3.88Å; F223-L229 HydrophobicContact CG-CB 4.26Å; Q225-L229 PolarHBondContact O-N 2.98Å; S226-L229 WeakPolarHBondContact O-CB 3.41Å; S226-L229 PolarHBondContact O-N 2.97Å; S226-L229 VanDerWaalsContact O-N 3.11Å; L229-A231 PolarHBondContact O-N 3.34Å; L229-H232 CarbonylContact O-C 3.52Å; L229-H232 WeakPolarHBondContact O-CA 3.38Å; L229-H232 WeakPolarHBondContact O-CB 3.33Å; L229-H232 PolarHBondContact O-N 2.95Å; L229-H232 VanDerWaalsContact O-N 3.1Å; L229-K233 HydrophobicContact CD1-CG 4.14Å; L229-K233 HydrophobicContact CG-CG 4.43Å; L229-K233 PolarHBondContact O-N 3.48Å
230	K	88.5	Confident	83.9	Confident	121 Å²	121	77.2 Å²	77.2	53%	0.526	41%	0.412	S	S	.	.	H	α-helix	trans	-57.5	-49.1	176.4	-72.1	-178.3	-178	-177.7	0	111.3	S226 N227 H232 K233 I234	S226-K230 PolarHBondContact O-N 2.97Å; N227-K230 PolarHBondContact O-N 3.35Å; K230-H232 PolarHBondContact O-N 2.99Å; K230-K233 PolarHBondContact O-N 3.49Å; K230-I234 WeakPolarHBondContact O-CG1 3.24Å; K230-I234 PolarHBondContact O-N 2.94Å
231	A	83.5	Confident	82.8	Confident	53 Å²	53	74.6 Å²	74.6	44%	0.438	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-32.4	176.6	0	0	0	0	0	112.5	N227 S228 L229 I234	N227-A231 WeakPolarHBondContact O-CB 3.5Å; N227-A231 PolarHBondContact O-N 3Å; S228-A231 PolarHBondContact O-N 3.15Å; L229-A231 PolarHBondContact O-N 3.34Å; A231-I234 WeakPolarHBondContact O-CB 3.24Å
232	H	84.2	Confident	82	Confident	18 Å²	18	73 Å²	73	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-72.6	-40.7	175.1	168.5	84.3	0	0	0	112.9	C216 C219 F223 S228 L229 K230 I234 I235 H236	C216-H232 WeakPolarHBondContact CB-NE2 3.33Å; C216-H232 VanDerWaalsContact SG-CD2 3.51Å; C216-H232 PolarHBondContact SG-NE2 3.39Å; C219-H232 PolarHBondContact SG-CE1 3.39Å; C219-H232 PolarHBondContact SG-NE2 2.99Å; F223-H232 HydrophobicContact CE1-CB 3.99Å; F223-H232 HydrophobicContact CE2-CB 3.89Å; F223-H232 AromaticContact CE2-CD2 3.59Å; F223-H232 AromaticContact CE2-CG 3.62Å; F223-H232 HydrophobicContact CZ-CB 3.46Å; F223-H232 VanDerWaalsContact CZ-CB 3.46Å; F223-H232 AromaticContact CZ-CD2 3.68Å; F223-H232 AromaticContact CZ-CE1 3.97Å; F223-H232 AromaticContact CZ-CG 3.23Å; F223-H232 AromaticContact CZ-ND1 3.46Å; F223-H232 WeakPolarHBondContact CZ-ND1 3.47Å; S228-H232 VanDerWaalsContact O-CB 3.29Å; S228-H232 WeakPolarHBondContact O-CB 3.44Å; S228-H232 PolarHBondContact O-N 3.47Å; L229-H232 CarbonylContact O-C 3.52Å; L229-H232 WeakPolarHBondContact O-CA 3.38Å; L229-H232 WeakPolarHBondContact O-CB 3.33Å; L229-H232 PolarHBondContact O-N 2.95Å; L229-H232 VanDerWaalsContact O-N 3.1Å; K230-H232 PolarHBondContact O-N 2.99Å; H232-I234 PolarHBondContact O-N 3.35Å; H232-I234 VanDerWaalsContact O-N 3.13Å; H232-I235 VanDerWaalsContact O-CB 3.24Å; H232-I235 WeakPolarHBondContact O-CB 3.34Å; H232-I235 WeakPolarHBondContact O-CG1 3.32Å; H232-I235 PolarHBondContact O-N 2.77Å; H232-H236 AromaticContact CE1-NE2 3.85Å; H232-H236 AromaticContact NE2-CD2 3.8Å; H232-H236 AromaticContact NE2-NE2 3.24Å; H232-H236 PolarHBondContact NE2-NE2 3.39Å
233	K	84.1	Confident	81.2	Confident	76 Å²	76	69.9 Å²	69.9	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-56.8	-30.3	177.9	-74.9	-167.2	175.2	-163	0	112.1	E217 L229 K230 I235 H236 S237	E217-K233 IonicContact OE1-NZ 3.3Å; E217-K233 PolarHBondContact OE1-NZ 3.1Å; L229-K233 HydrophobicContact CD1-CG 4.14Å; L229-K233 HydrophobicContact CG-CG 4.43Å; L229-K233 PolarHBondContact O-N 3.48Å; K230-K233 PolarHBondContact O-N 3.49Å; K233-I235 PolarHBondContact O-N 2.85Å; K233-H236 WeakPolarHBondContact O-CB 3.42Å; K233-H236 PolarHBondContact O-N 3.36Å; K233-S237 PolarHBondContact O-N 3.28Å; K233-S237 PolarHBondContact O-OG 2.73Å
234	I	82.2	Confident	80.5	Confident	66 Å²	66	74.5 Å²	74.5	34%	0.338	42%	0.415	S	S	.	.	H	α-helix	trans	-57.7	-31	174	-61	173.2	0	0	0	112.5	K230 A231 H232 H236 S237 A239 P241	K230-I234 WeakPolarHBondContact O-CG1 3.24Å; K230-I234 PolarHBondContact O-N 2.94Å; A231-I234 WeakPolarHBondContact O-CB 3.24Å; H232-I234 PolarHBondContact O-N 3.35Å; H232-I234 VanDerWaalsContact O-N 3.13Å; I234-H236 VanDerWaalsContact C-N 3.3Å; I234-H236 PolarHBondContact O-N 3.33Å; I234-S237 PolarHBondContact O-N 3Å; I234-A239 WeakPolarHBondContact CG2-O 3.41Å; I234-P241 HydrophobicContact CG2-CG 4.34Å
235	I	77.4	Confident	79.7	Confident	103 Å²	103	72.6 Å²	72.6	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-36.7	177.2	-56	171.2	0	0	0	110.3	H232 K233 G238	H232-I235 VanDerWaalsContact O-CB 3.24Å; H232-I235 WeakPolarHBondContact O-CB 3.34Å; H232-I235 WeakPolarHBondContact O-CG1 3.32Å; H232-I235 PolarHBondContact O-N 2.77Å; K233-I235 PolarHBondContact O-N 2.85Å; I235-G238 PolarHBondContact O-N 3.23Å
236	H	77.2	Confident	79.1	Confident	69 Å²	69	78.9 Å²	78.9	32%	0.319	43%	0.429	S	S	.	.	H	α-helix	trans	-72.6	-32.9	176.7	-68	-59.6	0	0	0	112.9	C216 I218 C219 H232 K233 I234 G238	C216-H236 PolarHBondContact SG-CD2 2.88Å; C216-H236 PolarHBondContact SG-NE2 3.17Å; I218-H236 HydrophobicContact CD1-CB 3.49Å; I218-H236 VanDerWaalsContact CD1-CB 3.49Å; I218-H236 HydrophobicContact CG2-CB 4.49Å; I218-H236 WeakPolarHBondContact CG2-ND1 3.42Å; C219-H236 PolarHBondContact SG-NE2 2.83Å; C219-H236 VanDerWaalsContact SG-NE2 3.38Å; H232-H236 AromaticContact CE1-NE2 3.85Å; H232-H236 AromaticContact NE2-CD2 3.8Å; H232-H236 AromaticContact NE2-NE2 3.24Å; H232-H236 PolarHBondContact NE2-NE2 3.39Å; K233-H236 WeakPolarHBondContact O-CB 3.42Å; K233-H236 PolarHBondContact O-N 3.36Å; I234-H236 VanDerWaalsContact C-N 3.3Å; I234-H236 PolarHBondContact O-N 3.33Å; H236-G238 PolarHBondContact O-N 3.44Å; H236-G238 VanDerWaalsContact O-N 3.11Å
237	S	76.9	Confident	78.4	Confident	91 Å²	91	84.5 Å²	84.5	64%	0.636	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.2	175.8	-54.2	0	0	0	0	113.4	K233 I234 A239	K233-S237 PolarHBondContact O-N 3.28Å; K233-S237 PolarHBondContact O-OG 2.73Å; I234-S237 PolarHBondContact O-N 3Å; S237-A239 PolarHBondContact O-N 3.46Å
238	G	67.6	Low	77.6	Confident	64 Å²	64	79.7 Å²	79.7	66%	0.66	42%	0.421	S	S	*	.	S	Bend	trans	68.2	-22.2	-174.9	0	0	0	0	0	114.2	I235 H236 R240	I235-G238 PolarHBondContact O-N 3.23Å; H236-G238 PolarHBondContact O-N 3.44Å; H236-G238 VanDerWaalsContact O-N 3.11Å; G238-R240 PolarHBondContact O-N 3.41Å
239	A	64.9	Low	76.8	Confident	66 Å²	66	83.1 Å²	83.1	55%	0.545	44%	0.442	S	S	.	.			trans	-75.7	67.5	175.8	0	0	0	0	0	110.9	I234 S237 P241	I234-A239 WeakPolarHBondContact CG2-O 3.41Å; S237-A239 PolarHBondContact O-N 3.46Å; A239-P241 WeakPolarHBondContact O-CD 3.4Å; A239-P241 VanDerWaalsContact O-N 3.1Å
240	R	62.1	Low	75.9	Confident	176 Å²	176	84.3 Å²	84.3	66%	0.664	45%	0.452	S	S	*	.			trans	-61.3	114.2	162.7	-80.3	173.5	81.5	168	2.8	106.8	G238 V242	G238-R240 PolarHBondContact O-N 3.41Å; R240-V242 WeakPolarHBondContact O-CG2 3.31Å; R240-V242 PolarHBondContact O-N 3.43Å
241	P	66	Low	75.1	Confident	54 Å²	54	82 Å²	82	35%	0.351	45%	0.451	S	S	.	.			trans	-63.2	110.9	171.8	26.5	-33.7	0	0	0	107.1	I234 A239 F243	I234-P241 HydrophobicContact CG2-CG 4.34Å; A239-P241 WeakPolarHBondContact O-CD 3.4Å; A239-P241 VanDerWaalsContact O-N 3.1Å; P241-F243 HydrophobicContact CB-CD2 4.42Å; P241-F243 HydrophobicContact CB-CE2 3.72Å; P241-F243 HydrophobicContact CB-CZ 3.86Å; P241-F243 HydrophobicContact CG-CE2 3.77Å; P241-F243 HydrophobicContact CG-CZ 4.18Å; P241-F243 WeakPolarHBondContact O-CD2 3.34Å; P241-F243 PolarHBondContact O-N 3.03Å
242	V	72.3	Confident	74.6	Confident	74 Å²	74	80.7 Å²	80.7	45%	0.448	44%	0.438	S	S	.	.			trans	-86.2	104.3	177.1	-176	0	0	0	0	106.3	R240 H244	R240-V242 WeakPolarHBondContact O-CG2 3.31Å; R240-V242 PolarHBondContact O-N 3.43Å; V242-H244 WeakPolarHBondContact CG1-CE1 3.42Å; V242-H244 PolarHBondContact O-CE1 2.67Å; V242-H244 PolarHBondContact O-N 3.5Å; V242-H244 PolarHBondContact O-ND1 2.94Å
243	F	76.7	Confident	73.9	Confident	67 Å²	67	81.5 Å²	81.5	29%	0.294	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.4	175	-62.3	-82.2	0	0	0	108.8	P241 S251 C252 K255 L258	P241-F243 HydrophobicContact CB-CD2 4.42Å; P241-F243 HydrophobicContact CB-CE2 3.72Å; P241-F243 HydrophobicContact CB-CZ 3.86Å; P241-F243 HydrophobicContact CG-CE2 3.77Å; P241-F243 HydrophobicContact CG-CZ 4.18Å; P241-F243 WeakPolarHBondContact O-CD2 3.34Å; P241-F243 PolarHBondContact O-N 3.03Å; F243-S251 CarbonylContact O-C 3.51Å; F243-S251 WeakPolarHBondContact O-CA 3.39Å; F243-C252 WeakPolarHBondContact CB-O 3.36Å; F243-C252 PolarHBondContact N-O 3.31Å; F243-C252 PolarHBondContact O-N 3.48Å; F243-K255 HydrophobicContact CD1-CB 4.37Å; F243-K255 HydrophobicContact CE1-CB 4.12Å; F243-K255 HydrophobicContact CE2-CB 4.32Å; F243-K255 HydrophobicContact CZ-CB 4.09Å; F243-L258 HydrophobicContact CB-CB 4.18Å; F243-L258 HydrophobicContact CB-CD2 3.72Å
244	H	77	Confident	73.4	Confident	135 Å²	135	84.4 Å²	84.4	63%	0.625	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.9	-177.3	-61.3	50.9	0	0	0	109.4	V242 L258	V242-H244 WeakPolarHBondContact CG1-CE1 3.42Å; V242-H244 PolarHBondContact O-CE1 2.67Å; V242-H244 PolarHBondContact O-N 3.5Å; V242-H244 PolarHBondContact O-ND1 2.94Å; H244-L258 WeakPolarHBondContact O-CD2 3.43Å
245	C	77.7	Confident	73.3	Confident	11 Å²	11	88 Å²	88	7%	0.074	47%	0.474	C	S	.	.			trans	-72.8	135.8	168	-171.4	0	0	0	0	110	Y247 C248 S250 L258 H261 H266	C245-Y247 PolarHBondContact O-N 3.4Å; C245-Y247 PolarHBondContact SG-N 3.2Å; C245-C248 WeakPolarHBondContact CB-O 3.44Å; C245-C248 VanDerWaalsContact CB-SG 3.51Å; C245-S250 WeakPolarHBondContact CB-O 3.42Å; C245-S250 PolarHBondContact N-O 3.13Å; C245-L258 HydrophobicContact CB-CD1 3.71Å; C245-H261 PolarHBondContact SG-NE2 3.38Å; C245-H261 VanDerWaalsContact SG-NE2 3.44Å; C245-H266 PolarHBondContact SG-CD2 2.75Å; C245-H266 PolarHBondContact SG-NE2 2.8Å
246	K	81	Confident	73.5	Confident	192 Å²	192	86 Å²	86	84%	0.835	47%	0.466	S	S	*	.	S	Bend	trans	-69.3	-23.7	175.6	-65	-173.4	177.3	-172.2	0	112.8
247	Y	77.2	Confident	73.5	Confident	158 Å²	158	85.2 Å²	85.2	62%	0.62	46%	0.464	S	S	*	.	S	Bend	trans	-105.6	-7.6	-172.9	-53.6	-65	0	0	0	113.2	C245 I262 H266	C245-Y247 PolarHBondContact O-N 3.4Å; C245-Y247 PolarHBondContact SG-N 3.2Å; Y247-I262 HydrophobicContact CE2-CG2 4.31Å; Y247-H266 VanDerWaalsContact CB-CE1 3.47Å; Y247-H266 WeakPolarHBondContact CB-CE1 3.35Å; Y247-H266 HydrophobicContact CD2-CB 3.91Å; Y247-H266 AromaticContact CD2-CG 3.89Å; Y247-H266 HydrophobicContact CG-CB 4.45Å
248	C	72.4	Confident	73.6	Confident	13 Å²	13	81.9 Å²	81.9	9%	0.088	44%	0.439	C	S	.	.	S	Bend	trans	-156	161	178	74	0	0	0	0	113.2	C245 S250 H261 H266 Y286	C245-C248 WeakPolarHBondContact CB-O 3.44Å; C245-C248 VanDerWaalsContact CB-SG 3.51Å; C248-S250 PolarHBondContact O-N 3.48Å; C248-S250 WeakPolarHBondContact SG-CB 3.44Å; C248-S250 PolarHBondContact SG-N 3.45Å; C248-S250 PolarHBondContact SG-OG 2.82Å; C248-H261 PolarHBondContact SG-CE1 3.15Å; C248-H261 PolarHBondContact SG-NE2 3.46Å; C248-H266 PolarHBondContact SG-NE2 2.81Å; C248-H266 VanDerWaalsContact SG-NE2 3.38Å; C248-Y286 HydrophobicContact CB-CD1 4Å; C248-Y286 HydrophobicContact CB-CD2 4.02Å; C248-Y286 HydrophobicContact CB-CE1 3.5Å; C248-Y286 HydrophobicContact CB-CE2 3.52Å; C248-Y286 HydrophobicContact CB-CG 4.25Å
249	P	74.2	Confident	74.4	Confident	121 Å²	121	84.5 Å²	84.5	79%	0.786	43%	0.429	S	S	*	.	S	Bend	trans	-66.7	5.1	175.9	26.6	-37.6	0	0	0	114.7	S251 Y286	P249-S251 PolarHBondContact O-N 3Å; P249-Y286 WeakPolarHBondContact CD-OH 3.45Å
250	S	70.6	Confident	75.2	Confident	42 Å²	42	85 Å²	85	29%	0.294	42%	0.422	S	S	.	.			trans	-74.6	130.7	179.6	-53.6	0	0	0	0	110.6	C245 C248	C245-S250 WeakPolarHBondContact CB-O 3.42Å; C245-S250 PolarHBondContact N-O 3.13Å; C248-S250 PolarHBondContact O-N 3.48Å; C248-S250 WeakPolarHBondContact SG-CB 3.44Å; C248-S250 PolarHBondContact SG-N 3.45Å; C248-S250 PolarHBondContact SG-OG 2.82Å
251	S	71.9	Confident	75.9	Confident	73 Å²	73	77.8 Å²	77.8	51%	0.51	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139	171.9	62.7	0	0	0	0	112.3	F243 P249	F243-S251 CarbonylContact O-C 3.51Å; F243-S251 WeakPolarHBondContact O-CA 3.39Å; P249-S251 PolarHBondContact O-N 3Å
252	C	73.1	Confident	76.8	Confident	25 Å²	25	77.7 Å²	77.7	17%	0.169	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.7	177.7	-68.6	0	0	0	0	110.4	F243 R254 D257 L258	F243-C252 WeakPolarHBondContact CB-O 3.36Å; F243-C252 PolarHBondContact N-O 3.31Å; F243-C252 PolarHBondContact O-N 3.48Å; C252-R254 VanDerWaalsContact C-N 3.28Å; C252-R254 PolarHBondContact O-N 3.23Å; C252-D257 HydrophobicContact CB-CB 4.05Å; C252-L258 HydrophobicContact CB-CB 4.05Å
253	G	70.6	Confident	77.3	Confident	35 Å²	35	79.6 Å²	79.6	36%	0.361	40%	0.395	S	S	.	.	S	Bend	trans	-77.3	-10.3	176.3	0	0	0	0	0	114.5
254	R	73	Confident	77.4	Confident	138 Å²	138	82.5 Å²	82.5	52%	0.521	41%	0.408	S	S	.	.	S	Bend	trans	-133.7	142.1	178.6	-67.4	-174.7	-68.6	128.9	-1.6	110.9	C252 T256 D257 L258	C252-R254 VanDerWaalsContact C-N 3.28Å; C252-R254 PolarHBondContact O-N 3.23Å; R254-T256 VanDerWaalsContact C-N 3.27Å; R254-T256 PolarHBondContact NH1-OG1 2.84Å; R254-T256 PolarHBondContact O-N 3.48Å; R254-D257 HydrophobicContact CB-CB 4.42Å; R254-D257 VanDerWaalsContact CZ-CG 3.45Å; R254-D257 IonicContact CZ-OD1 3.28Å; R254-D257 IonicContact CZ-OD2 3.35Å; R254-D257 IonicContact NE-OD1 3.84Å; R254-D257 IonicContact NE-OD2 3.61Å; R254-D257 PolarHBondContact NE-OD2 2.76Å; R254-D257 VanDerWaalsContact NE-OD2 3.09Å; R254-D257 IonicContact NH1-OD1 2.73Å; R254-D257 PolarHBondContact NH1-OD1 3.09Å; R254-D257 IonicContact NH1-OD2 2.83Å; R254-D257 IonicContact NH2-OD1 3.99Å; R254-D257 PolarHBondContact NH2-OD1 3.17Å; R254-D257 IonicContact NH2-OD2 3.85Å; R254-D257 PolarHBondContact NH2-OD2 3.39Å; R254-D257 PolarHBondContact O-N 3.39Å; R254-D257 VanDerWaalsContact O-N 3.12Å; R254-L258 PolarHBondContact O-N 3.14Å; R254-L258 VanDerWaalsContact O-N 3.13Å
255	K	80	Confident	77.4	Confident	142 Å²	142	77.7 Å²	77.7	62%	0.617	39%	0.387	S	S	*	.	H	α-helix	trans	-59.6	-34.4	176.3	-169.8	174.9	-177.3	177.4	0	113.1	F243 L258 R259	F243-K255 HydrophobicContact CD1-CB 4.37Å; F243-K255 HydrophobicContact CE1-CB 4.12Å; F243-K255 HydrophobicContact CE2-CB 4.32Å; F243-K255 HydrophobicContact CZ-CB 4.09Å; K255-L258 PolarHBondContact O-N 2.95Å; K255-R259 PolarHBondContact O-N 3.11Å
256	T	80.7	Confident	77.4	Confident	60 Å²	60	78.5 Å²	78.5	37%	0.368	39%	0.389	S	S	.	.	H	α-helix	trans	-64.7	-40.4	175.7	52.7	0	0	0	0	112.1	R254 R259 I260	R254-T256 VanDerWaalsContact C-N 3.27Å; R254-T256 PolarHBondContact NH1-OG1 2.84Å; R254-T256 PolarHBondContact O-N 3.48Å; T256-R259 PolarHBondContact O-N 3.04Å; T256-I260 WeakPolarHBondContact O-CG1 3.32Å; T256-I260 PolarHBondContact O-N 2.84Å
257	D	78.4	Confident	77.4	Confident	52 Å²	52	72.9 Å²	72.9	28%	0.278	37%	0.371	S	S	.	.	H	α-helix	trans	-70.2	-38.8	-179	-62.1	-12.1	0	0	0	109.9	C252 R254 I260 H261	C252-D257 HydrophobicContact CB-CB 4.05Å; R254-D257 HydrophobicContact CB-CB 4.42Å; R254-D257 VanDerWaalsContact CZ-CG 3.45Å; R254-D257 IonicContact CZ-OD1 3.28Å; R254-D257 IonicContact CZ-OD2 3.35Å; R254-D257 IonicContact NE-OD1 3.84Å; R254-D257 IonicContact NE-OD2 3.61Å; R254-D257 PolarHBondContact NE-OD2 2.76Å; R254-D257 VanDerWaalsContact NE-OD2 3.09Å; R254-D257 IonicContact NH1-OD1 2.73Å; R254-D257 PolarHBondContact NH1-OD1 3.09Å; R254-D257 IonicContact NH1-OD2 2.83Å; R254-D257 IonicContact NH2-OD1 3.99Å; R254-D257 PolarHBondContact NH2-OD1 3.17Å; R254-D257 IonicContact NH2-OD2 3.85Å; R254-D257 PolarHBondContact NH2-OD2 3.39Å; R254-D257 PolarHBondContact O-N 3.39Å; R254-D257 VanDerWaalsContact O-N 3.12Å; D257-I260 PolarHBondContact O-N 3.38Å; D257-H261 WeakPolarHBondContact O-CB 3.39Å; D257-H261 PolarHBondContact O-N 3.21Å
258	L	78.7	Confident	77	Confident	22 Å²	22	69.9 Å²	69.9	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-43.1	171.6	179.3	60.7	0	0	0	111.8	F243 H244 C245 C252 R254 K255 I260 H261 I262	F243-L258 HydrophobicContact CB-CB 4.18Å; F243-L258 HydrophobicContact CB-CD2 3.72Å; H244-L258 WeakPolarHBondContact O-CD2 3.43Å; C245-L258 HydrophobicContact CB-CD1 3.71Å; C252-L258 HydrophobicContact CB-CB 4.05Å; R254-L258 PolarHBondContact O-N 3.14Å; R254-L258 VanDerWaalsContact O-N 3.13Å; K255-L258 PolarHBondContact O-N 2.95Å; L258-I260 PolarHBondContact O-N 3.08Å; L258-H261 WeakPolarHBondContact O-CB 3.31Å; L258-H261 PolarHBondContact O-N 3.4Å; L258-I262 HydrophobicContact CD1-CD1 4.09Å; L258-I262 HydrophobicContact CD1-CG1 4.18Å; L258-I262 HydrophobicContact CG-CD1 3.99Å; L258-I262 HydrophobicContact CG-CG1 4.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.24Å
259	R	83.2	Confident	76.7	Confident	119 Å²	119	71.7 Å²	71.7	45%	0.449	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-47.2	177.2	-168.6	-166.5	-56.6	156.2	0.5	111.5	K255 T256 H261 I262 Q263	K255-R259 PolarHBondContact O-N 3.11Å; T256-R259 PolarHBondContact O-N 3.04Å; R259-H261 VanDerWaalsContact C-N 3.3Å; R259-H261 PolarHBondContact O-N 3.36Å; R259-I262 PolarHBondContact O-N 2.81Å; R259-Q263 WeakPolarHBondContact O-CB 3.44Å; R259-Q263 PolarHBondContact O-N 3.33Å
260	I	81.7	Confident	76.3	Confident	76 Å²	76	70.5 Å²	70.5	39%	0.39	38%	0.384	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177.2	-67.1	166.7	0	0	0	110.6	T256 D257 L258 Q263 K264	T256-I260 WeakPolarHBondContact O-CG1 3.32Å; T256-I260 PolarHBondContact O-N 2.84Å; D257-I260 PolarHBondContact O-N 3.38Å; L258-I260 PolarHBondContact O-N 3.08Å; I260-Q263 PolarHBondContact O-N 3.48Å; I260-K264 HydrophobicContact CG2-CD 3.7Å; I260-K264 HydrophobicContact CG2-CG 4.18Å; I260-K264 VanDerWaalsContact O-CB 3.27Å; I260-K264 WeakPolarHBondContact O-CB 3.27Å; I260-K264 VanDerWaalsContact O-CG 3.32Å; I260-K264 WeakPolarHBondContact O-CG 3.36Å; I260-K264 PolarHBondContact O-N 2.99Å
261	H	78.6	Confident	76.5	Confident	24 Å²	24	75.6 Å²	75.6	11%	0.111	40%	0.403	C	S	.	.	H	α-helix	trans	-58.8	-51.5	174	165.4	95.6	0	0	0	111	C245 C248 D257 L258 R259 Q263 K264 L265 H266	C245-H261 PolarHBondContact SG-NE2 3.38Å; C245-H261 VanDerWaalsContact SG-NE2 3.44Å; C248-H261 PolarHBondContact SG-CE1 3.15Å; C248-H261 PolarHBondContact SG-NE2 3.46Å; D257-H261 WeakPolarHBondContact O-CB 3.39Å; D257-H261 PolarHBondContact O-N 3.21Å; L258-H261 WeakPolarHBondContact O-CB 3.31Å; L258-H261 PolarHBondContact O-N 3.4Å; R259-H261 VanDerWaalsContact C-N 3.3Å; R259-H261 PolarHBondContact O-N 3.36Å; H261-Q263 PolarHBondContact O-N 3.41Å; H261-K264 PolarHBondContact O-N 3.08Å; H261-L265 WeakPolarHBondContact ND1-CD1 3.48Å; H261-L265 VanDerWaalsContact O-CB 3.25Å; H261-L265 WeakPolarHBondContact O-CB 3.16Å; H261-L265 PolarHBondContact O-N 3.18Å; H261-H266 AromaticContact CD2-CD2 3.96Å; H261-H266 AromaticContact NE2-CD2 3.6Å; H261-H266 AromaticContact NE2-NE2 3.25Å; H261-H266 PolarHBondContact NE2-NE2 3.37Å
262	I	84	Confident	76.6	Confident	52 Å²	52	75.8 Å²	75.8	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-60.5	-48.3	177.4	-65.5	167.9	0	0	0	110.3	Y247 L258 R259 K264 L265 H266 T267	Y247-I262 HydrophobicContact CE2-CG2 4.31Å; L258-I262 HydrophobicContact CD1-CD1 4.09Å; L258-I262 HydrophobicContact CD1-CG1 4.18Å; L258-I262 HydrophobicContact CG-CD1 3.99Å; L258-I262 HydrophobicContact CG-CG1 4.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.48Å; L258-I262 PolarHBondContact O-N 3.24Å; R259-I262 PolarHBondContact O-N 2.81Å; I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 PolarHBondContact O-N 3.22Å; I262-L265 PolarHBondContact O-N 3.38Å; I262-H266 HydrophobicContact CG2-CB 4.27Å; I262-H266 CarbonylContact O-C 3.51Å; I262-H266 WeakPolarHBondContact O-CA 3.46Å; I262-H266 WeakPolarHBondContact O-CB 3.17Å; I262-H266 PolarHBondContact O-N 3.29Å; I262-T267 PolarHBondContact O-N 2.92Å
263	Q	82.6	Confident	76.9	Confident	114 Å²	114	76.6 Å²	76.6	53%	0.533	41%	0.405	S	S	.	.	H	α-helix	trans	-61.8	-37.7	-178.6	-170.5	-180	7.5	0	0	113.1	R259 I260 H261 T267	R259-Q263 WeakPolarHBondContact O-CB 3.44Å; R259-Q263 PolarHBondContact O-N 3.33Å; I260-Q263 PolarHBondContact O-N 3.48Å; H261-Q263 PolarHBondContact O-N 3.41Å; Q263-T267 WeakPolarHBondContact CA-OG1 3.45Å; Q263-T267 VanDerWaalsContact O-CB 3.3Å; Q263-T267 WeakPolarHBondContact O-CB 3.49Å; Q263-T267 PolarHBondContact O-OG1 2.96Å
264	K	78.2	Confident	77.3	Confident	128 Å²	128	79.7 Å²	79.7	56%	0.557	41%	0.413	S	S	*	.	H	α-helix	trans	-86.5	-28	-177.4	-72.5	-176.8	177.6	-179.8	0	113.7	I260 H261 I262 R285	I260-K264 HydrophobicContact CG2-CD 3.7Å; I260-K264 HydrophobicContact CG2-CG 4.18Å; I260-K264 VanDerWaalsContact O-CB 3.27Å; I260-K264 WeakPolarHBondContact O-CB 3.27Å; I260-K264 VanDerWaalsContact O-CG 3.32Å; I260-K264 WeakPolarHBondContact O-CG 3.36Å; I260-K264 PolarHBondContact O-N 2.99Å; H261-K264 PolarHBondContact O-N 3.08Å; I262-K264 VanDerWaalsContact C-N 3.31Å; I262-K264 PolarHBondContact O-N 3.22Å; K264-R285 WeakPolarHBondContact O-CD 3.4Å
265	L	78.3	Confident	77.5	Confident	34 Å²	34	73.3 Å²	73.3	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-112.5	-32.1	-169.5	-65	175.8	0	0	0	113.7	H261 I262 R285 Y286	H261-L265 WeakPolarHBondContact ND1-CD1 3.48Å; H261-L265 VanDerWaalsContact O-CB 3.25Å; H261-L265 WeakPolarHBondContact O-CB 3.16Å; H261-L265 PolarHBondContact O-N 3.18Å; I262-L265 PolarHBondContact O-N 3.38Å; L265-R285 HydrophobicContact CD2-CB 4Å; L265-R285 PolarHBondContact O-N 3.18Å; L265-R285 VanDerWaalsContact O-N 3.14Å; L265-Y286 PolarHBondContact O-N 3.29Å
266	H	77.6	Confident	77.1	Confident	28 Å²	28	75.4 Å²	75.4	13%	0.13	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-16.6	-174.2	-63.4	-58.7	0	0	0	114.2	C245 Y247 C248 H261 I262 S268 D284 Y286	C245-H266 PolarHBondContact SG-CD2 2.75Å; C245-H266 PolarHBondContact SG-NE2 2.8Å; Y247-H266 VanDerWaalsContact CB-CE1 3.47Å; Y247-H266 WeakPolarHBondContact CB-CE1 3.35Å; Y247-H266 HydrophobicContact CD2-CB 3.91Å; Y247-H266 AromaticContact CD2-CG 3.89Å; Y247-H266 HydrophobicContact CG-CB 4.45Å; C248-H266 PolarHBondContact SG-NE2 2.81Å; C248-H266 VanDerWaalsContact SG-NE2 3.38Å; H261-H266 AromaticContact CD2-CD2 3.96Å; H261-H266 AromaticContact NE2-CD2 3.6Å; H261-H266 AromaticContact NE2-NE2 3.25Å; H261-H266 PolarHBondContact NE2-NE2 3.37Å; I262-H266 HydrophobicContact CG2-CB 4.27Å; I262-H266 CarbonylContact O-C 3.51Å; I262-H266 WeakPolarHBondContact O-CA 3.46Å; I262-H266 WeakPolarHBondContact O-CB 3.17Å; I262-H266 PolarHBondContact O-N 3.29Å; H266-S268 PolarHBondContact O-N 3.27Å; H266-S268 VanDerWaalsContact O-N 3.12Å; H266-D284 IonicContact ND1-OD2 2.79Å; H266-D284 PolarHBondContact ND1-OD2 2.91Å; H266-Y286 VanDerWaalsContact CE1-CB 3.41Å; H266-Y286 WeakPolarHBondContact CE1-CB 3.35Å; H266-Y286 AromaticContact CE1-CD1 3.76Å; H266-Y286 AromaticContact CE1-CG 3.45Å; H266-Y286 VanDerWaalsContact CE1-CG 3.45Å
267	T	80.8	Confident	76.4	Confident	74 Å²	74	76 Å²	76	45%	0.454	40%	0.396	S	S	.	.	S	Bend	trans	-65.2	117	166.5	-58.6	0	0	0	0	107.8	I262 Q263 V269	I262-T267 PolarHBondContact O-N 2.92Å; Q263-T267 WeakPolarHBondContact CA-OG1 3.45Å; Q263-T267 VanDerWaalsContact O-CB 3.3Å; Q263-T267 WeakPolarHBondContact O-CB 3.49Å; Q263-T267 PolarHBondContact O-OG1 2.96Å; T267-V269 PolarHBondContact O-N 2.76Å; T267-V269 VanDerWaalsContact O-N 3.16Å
268	S	68.2	Low	76.3	Confident	96 Å²	96	75.9 Å²	75.9	67%	0.671	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-50.2	119.1	173.7	47.2	0	0	0	0	109.1	H266	H266-S268 PolarHBondContact O-N 3.27Å; H266-S268 VanDerWaalsContact O-N 3.12Å
269	V	66.9	Low	76.2	Confident	51 Å²	51	80.8 Å²	80.8	31%	0.309	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-77.5	140.7	171	-174.2	0	0	0	0	106.5	T267 H271 R285	T267-V269 PolarHBondContact O-N 2.76Å; T267-V269 VanDerWaalsContact O-N 3.16Å; V269-H271 PolarHBondContact O-N 2.82Å; V269-R285 HydrophobicContact CG2-CG 4.14Å
270	A	66.6	Low	75.9	Confident	95 Å²	95	80.9 Å²	80.9	79%	0.785	43%	0.429	S	S	*	.	S	Bend	trans	-53.5	-26.7	179.8	0	0	0	0	0	113.5
271	H	72.7	Confident	75.8	Confident	149 Å²	149	81.6 Å²	81.6	69%	0.69	44%	0.437	S	S	*	.	S	Bend	trans	-108.3	120.9	174.1	-62.9	-71.7	0	0	0	111.1	V269	V269-H271 PolarHBondContact O-N 2.82Å
272	P	75.5	Confident	75.8	Confident	78 Å²	78	82 Å²	82	51%	0.506	44%	0.438	S	S	.	.			trans	-54.6	138	169	-24.9	34.4	0	0	0	111.4	T281 F282	P272-T281 HydrophobicContact CB-CG2 3.23Å; P272-T281 HydrophobicContact CG-CG2 4.39Å; P272-F282 CarbonylContact C-O 3.28Å; P272-F282 WeakPolarHBondContact CA-O 3.47Å
273	L	78.2	Confident	75.6	Confident	41 Å²	41	83.9 Å²	83.9	22%	0.215	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.4	-173.7	-61.4	168.5	0	0	0	110.5	T281 F282 R285 F288	L273-T281 CarbonylContact O-C 3.46Å; L273-T281 WeakPolarHBondContact O-CA 3.43Å; L273-F282 PolarHBondContact N-O 3.5Å; L273-F282 PolarHBondContact O-N 3.29Å; L273-R285 VanDerWaalsContact CD1-CA 3.49Å; L273-R285 HydrophobicContact CD1-CB 4.02Å; L273-R285 HydrophobicContact CD1-CG 3.38Å; L273-F288 HydrophobicContact CB-CB 4.11Å; L273-F288 HydrophobicContact CB-CD2 4.16Å; L273-F288 HydrophobicContact CB-CG 4.04Å; L273-F288 HydrophobicContact CD1-CB 3.84Å; L273-F288 HydrophobicContact CD1-CD1 4.37Å; L273-F288 HydrophobicContact CD1-CG 4.19Å
274	L	78.9	Confident	75.3	Confident	101 Å²	101	79.5 Å²	79.5	53%	0.529	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.4	175.6	67.1	101.3	0	0	0	111.9	K276	L274-K276 HydrophobicContact CD1-CG 3.87Å; L274-K276 PolarHBondContact O-N 3.24Å
275	C	77.5	Confident	75.4	Confident	4 Å²	4	79.2 Å²	79.2	3%	0.027	43%	0.43	C	S	.	.			trans	-81.9	106.8	170.2	-177.9	0	0	0	0	111.1	K277 C278 N279 K280 F282 F288 H291	C275-K277 PolarHBondContact O-N 3.02Å; C275-C278 PolarHBondContact O-N 3.39Å; C275-N279 WeakPolarHBondContact O-CA 3.47Å; C275-N279 PolarHBondContact O-N 3.43Å; C275-K280 WeakPolarHBondContact CB-O 3.42Å; C275-K280 PolarHBondContact N-O 3.42Å; C275-F282 HydrophobicContact CB-CE2 4.14Å; C275-F288 HydrophobicContact CB-CD2 4.44Å; C275-F288 HydrophobicContact CB-CE2 3.86Å; C275-H291 PolarHBondContact SG-NE2 3.2Å
276	K	72.6	Confident	75.4	Confident	185 Å²	185	79.9 Å²	79.9	80%	0.804	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.9	176.8	-61.3	-173	177.8	-171.4	0	114.9	L274	L274-K276 HydrophobicContact CD1-CG 3.87Å; L274-K276 PolarHBondContact O-N 3.24Å
277	K	66.4	Low	75.4	Confident	73 Å²	73	80.7 Å²	80.7	32%	0.317	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.3	-179.1	-63.7	-175.5	176	-169.5	0	114	C275 H295 F301 S311	C275-K277 PolarHBondContact O-N 3.02Å; K277-H295 WeakPolarHBondContact CB-CE1 3.43Å; K277-H295 HydrophobicContact CD-CB 3.71Å; K277-H295 VanDerWaalsContact CD-ND1 3.3Å; K277-H295 WeakPolarHBondContact CD-ND1 3.38Å; K277-F301 HydrophobicContact CD-CE2 4.36Å; K277-F301 HydrophobicContact CG-CE2 4.49Å; K277-F301 HydrophobicContact CG-CZ 4.2Å; K277-S311 PolarHBondContact NZ-O 3.43Å
278	C	74.5	Confident	75.4	Confident	49 Å²	49	79.4 Å²	79.4	33%	0.331	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	7.1	-179.8	68.6	0	0	0	0	114.1	C275 K280 H291	C275-C278 PolarHBondContact O-N 3.39Å; C278-K280 PolarHBondContact O-N 3Å; C278-K280 VanDerWaalsContact SG-CG 3.53Å; C278-H291 PolarHBondContact SG-CE1 3.43Å; C278-H291 PolarHBondContact SG-NE2 3.32Å
279	N	76.9	Confident	75.7	Confident	126 Å²	126	80.2 Å²	80.2	67%	0.674	42%	0.418	S	S	*	.			trans	54.1	16.7	-176.7	-62.8	-21.7	0	0	0	116.4	C275	C275-N279 WeakPolarHBondContact O-CA 3.47Å; C275-N279 PolarHBondContact O-N 3.43Å
280	K	77.5	Confident	75.9	Confident	120 Å²	120	80.6 Å²	80.6	52%	0.522	42%	0.42	S	S	.	.			trans	-72	138.6	172.4	-66.7	179.8	-176.1	-176.5	0	111.4	C275 C278 F282	C275-K280 WeakPolarHBondContact CB-O 3.42Å; C275-K280 PolarHBondContact N-O 3.42Å; C278-K280 PolarHBondContact O-N 3Å; C278-K280 VanDerWaalsContact SG-CG 3.53Å; K280-F282 HydrophobicContact CB-CE2 3.64Å; K280-F282 HydrophobicContact CB-CZ 3.78Å; K280-F282 HydrophobicContact CD-CZ 4.48Å; K280-F282 WeakPolarHBondContact O-CE2 3.18Å
281	T	79.4	Confident	76.3	Confident	91 Å²	91	76.6 Å²	76.6	56%	0.558	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.6	-179.2	-58.4	0	0	0	0	111.1	P272 L273	P272-T281 HydrophobicContact CB-CG2 3.23Å; P272-T281 HydrophobicContact CG-CG2 4.39Å; L273-T281 CarbonylContact O-C 3.46Å; L273-T281 WeakPolarHBondContact O-CA 3.43Å
282	F	79.7	Confident	76.3	Confident	33 Å²	33	73.5 Å²	73.5	15%	0.145	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.9	-176.4	-62.2	-87	0	0	0	111.9	P272 L273 C275 K280 F288 H291	P272-F282 CarbonylContact C-O 3.28Å; P272-F282 WeakPolarHBondContact CA-O 3.47Å; L273-F282 PolarHBondContact N-O 3.5Å; L273-F282 PolarHBondContact O-N 3.29Å; C275-F282 HydrophobicContact CB-CE2 4.14Å; K280-F282 HydrophobicContact CB-CE2 3.64Å; K280-F282 HydrophobicContact CB-CZ 3.78Å; K280-F282 HydrophobicContact CD-CZ 4.48Å; K280-F282 WeakPolarHBondContact O-CE2 3.18Å; F282-F288 HydrophobicContact CB-CB 3.99Å; F282-F288 HydrophobicContact CD2-CB 4.28Å; F282-F288 AromaticContact CD2-CD2 3.82Å; F282-F288 HydrophobicContact CD2-CD2 3.82Å; F282-F288 HydrophobicContact CE2-CD2 4.38Å; F282-F288 HydrophobicContact CG-CB 4.21Å; F282-H291 HydrophobicContact CD1-CB 4.49Å; F282-H291 HydrophobicContact CE1-CB 3.67Å; F282-H291 AromaticContact CE1-CG 3.97Å; F282-H291 HydrophobicContact CE2-CB 3.89Å; F282-H291 AromaticContact CE2-CD2 3.31Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.2Å; F282-H291 AromaticContact CE2-CG 3.54Å; F282-H291 HydrophobicContact CZ-CB 3.33Å; F282-H291 AromaticContact CZ-CD2 3.43Å; F282-H291 VanDerWaalsContact CZ-CD2 3.43Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.46Å; F282-H291 AromaticContact CZ-CG 3.12Å; F282-H291 AromaticContact CZ-ND1 3.68Å
283	P	79.1	Confident	75.8	Confident	92 Å²	92	76.1 Å²	76.1	60%	0.597	38%	0.375	S	S	*	.	S	Bend	trans	-74.5	-28.7	-176.7	29.3	-34.9	0	0	0	113.3
284	D	76.6	Confident	75.1	Confident	22 Å²	22	79.5 Å²	79.5	12%	0.118	39%	0.389	C	S	.	.	S	Bend	trans	-132.5	157.5	-177.4	75.3	-37.2	0	0	0	112.5	H266 Y286 S287 F288	H266-D284 IonicContact ND1-OD2 2.79Å; H266-D284 PolarHBondContact ND1-OD2 2.91Å; D284-Y286 PolarHBondContact O-N 3.24Å; D284-Y286 WeakPolarHBondContact OD2-CB 3.48Å; D284-S287 PolarHBondContact O-N 3.35Å; D284-S287 WeakPolarHBondContact OD1-CB 3.4Å; D284-S287 PolarHBondContact OD1-N 3.04Å; D284-S287 PolarHBondContact OD1-OG 3.16Å; D284-F288 PolarHBondContact O-N 3.39Å
285	R	80.6	Confident	74.6	Confident	122 Å²	122	75.2 Å²	75.2	46%	0.46	37%	0.367	S	S	.	.	H	α-helix	trans	-66	-27.8	-178.8	-80	176.8	171.8	-174	5.1	112.2	K264 L265 V269 L273 K289	K264-R285 WeakPolarHBondContact O-CD 3.4Å; L265-R285 HydrophobicContact CD2-CB 4Å; L265-R285 PolarHBondContact O-N 3.18Å; L265-R285 VanDerWaalsContact O-N 3.14Å; V269-R285 HydrophobicContact CG2-CG 4.14Å; L273-R285 VanDerWaalsContact CD1-CA 3.49Å; L273-R285 HydrophobicContact CD1-CB 4.02Å; L273-R285 HydrophobicContact CD1-CG 3.38Å; R285-K289 VanDerWaalsContact O-CB 3.27Å; R285-K289 WeakPolarHBondContact O-CB 3.45Å; R285-K289 PolarHBondContact O-N 3.11Å
286	Y	77.3	Confident	73.6	Confident	48 Å²	48	80.5 Å²	80.5	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-66.9	-51.9	175.8	-177.8	-100.8	0	0	0	111.7	C248 P249 L265 H266 D284 F288 K289 V290	C248-Y286 HydrophobicContact CB-CD1 4Å; C248-Y286 HydrophobicContact CB-CD2 4.02Å; C248-Y286 HydrophobicContact CB-CE1 3.5Å; C248-Y286 HydrophobicContact CB-CE2 3.52Å; C248-Y286 HydrophobicContact CB-CG 4.25Å; P249-Y286 WeakPolarHBondContact CD-OH 3.45Å; L265-Y286 PolarHBondContact O-N 3.29Å; H266-Y286 VanDerWaalsContact CE1-CB 3.41Å; H266-Y286 WeakPolarHBondContact CE1-CB 3.35Å; H266-Y286 AromaticContact CE1-CD1 3.76Å; H266-Y286 AromaticContact CE1-CG 3.45Å; H266-Y286 VanDerWaalsContact CE1-CG 3.45Å; D284-Y286 PolarHBondContact O-N 3.24Å; D284-Y286 WeakPolarHBondContact OD2-CB 3.48Å; Y286-F288 VanDerWaalsContact C-N 3.31Å; Y286-F288 PolarHBondContact O-N 2.98Å; Y286-K289 WeakPolarHBondContact O-CB 3.46Å; Y286-K289 PolarHBondContact O-N 3.09Å; Y286-V290 HydrophobicContact CD1-CG2 4.17Å; Y286-V290 HydrophobicContact CE1-CG2 3.62Å; Y286-V290 HydrophobicContact CE2-CG2 4.03Å; Y286-V290 VanDerWaalsContact CZ-CG2 3.5Å; Y286-V290 PolarHBondContact O-N 2.81Å
287	S	78.6	Confident	72.7	Confident	44 Å²	44	74.8 Å²	74.8	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-40.9	179.8	-57.2	0	0	0	0	111.8	D284 K289 V290 H291	D284-S287 PolarHBondContact O-N 3.35Å; D284-S287 WeakPolarHBondContact OD1-CB 3.4Å; D284-S287 PolarHBondContact OD1-N 3.04Å; D284-S287 PolarHBondContact OD1-OG 3.16Å; S287-K289 VanDerWaalsContact C-N 3.31Å; S287-K289 PolarHBondContact O-N 3.45Å; S287-V290 PolarHBondContact O-N 2.85Å; S287-H291 WeakPolarHBondContact O-CB 3.32Å; S287-H291 PolarHBondContact O-N 3.43Å
288	F	80.4	Confident	72.2	Confident	47 Å²	47	76.7 Å²	76.7	21%	0.206	40%	0.399	C	S	.	.	H	α-helix	trans	-57.5	-42.9	172.1	177.7	-108.2	0	0	0	112.3	L273 C275 F282 D284 Y286 H291 Q292	L273-F288 HydrophobicContact CB-CB 4.11Å; L273-F288 HydrophobicContact CB-CD2 4.16Å; L273-F288 HydrophobicContact CB-CG 4.04Å; L273-F288 HydrophobicContact CD1-CB 3.84Å; L273-F288 HydrophobicContact CD1-CD1 4.37Å; L273-F288 HydrophobicContact CD1-CG 4.19Å; C275-F288 HydrophobicContact CB-CD2 4.44Å; C275-F288 HydrophobicContact CB-CE2 3.86Å; F282-F288 HydrophobicContact CB-CB 3.99Å; F282-F288 HydrophobicContact CD2-CB 4.28Å; F282-F288 AromaticContact CD2-CD2 3.82Å; F282-F288 HydrophobicContact CD2-CD2 3.82Å; F282-F288 HydrophobicContact CE2-CD2 4.38Å; F282-F288 HydrophobicContact CG-CB 4.21Å; D284-F288 PolarHBondContact O-N 3.39Å; Y286-F288 VanDerWaalsContact C-N 3.31Å; Y286-F288 PolarHBondContact O-N 2.98Å; F288-H291 PolarHBondContact O-N 3.1Å; F288-Q292 WeakPolarHBondContact O-CB 3.39Å; F288-Q292 PolarHBondContact O-N 3.4Å
289	K	74.9	Confident	71.2	Confident	114 Å²	114	80.8 Å²	80.8	50%	0.496	41%	0.407	S	S	.	.	H	α-helix	trans	-69.4	-39	-179.8	-172.3	176.5	-175.4	177.4	0	112.8	R285 Y286 S287 Q292 K293	R285-K289 VanDerWaalsContact O-CB 3.27Å; R285-K289 WeakPolarHBondContact O-CB 3.45Å; R285-K289 PolarHBondContact O-N 3.11Å; Y286-K289 WeakPolarHBondContact O-CB 3.46Å; Y286-K289 PolarHBondContact O-N 3.09Å; S287-K289 VanDerWaalsContact C-N 3.31Å; S287-K289 PolarHBondContact O-N 3.45Å; K289-Q292 PolarHBondContact O-N 3.17Å; K289-K293 WeakPolarHBondContact O-CG 3.34Å; K289-K293 PolarHBondContact O-N 3.44Å; K289-K293 VanDerWaalsContact O-N 3.16Å
290	V	70.9	Confident	70.3	Confident	58 Å²	58	76.9 Å²	76.9	35%	0.352	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-43	174.4	173.8	0	0	0	0	110.2	Y286 S287 Q292 K293	Y286-V290 HydrophobicContact CD1-CG2 4.17Å; Y286-V290 HydrophobicContact CE1-CG2 3.62Å; Y286-V290 HydrophobicContact CE2-CG2 4.03Å; Y286-V290 VanDerWaalsContact CZ-CG2 3.5Å; Y286-V290 PolarHBondContact O-N 2.81Å; S287-V290 PolarHBondContact O-N 2.85Å; V290-Q292 PolarHBondContact O-N 3.34Å; V290-K293 WeakPolarHBondContact O-CB 3.44Å; V290-K293 PolarHBondContact O-N 2.98Å
291	H	74.4	Confident	69.8	Low	11 Å²	11	72.9 Å²	72.9	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-41.3	173.3	170.5	64.6	0	0	0	112.4	C275 C278 F282 S287 F288 K293 Q294 H295	C275-H291 PolarHBondContact SG-NE2 3.2Å; C278-H291 PolarHBondContact SG-CE1 3.43Å; C278-H291 PolarHBondContact SG-NE2 3.32Å; F282-H291 HydrophobicContact CD1-CB 4.49Å; F282-H291 HydrophobicContact CE1-CB 3.67Å; F282-H291 AromaticContact CE1-CG 3.97Å; F282-H291 HydrophobicContact CE2-CB 3.89Å; F282-H291 AromaticContact CE2-CD2 3.31Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.2Å; F282-H291 AromaticContact CE2-CG 3.54Å; F282-H291 HydrophobicContact CZ-CB 3.33Å; F282-H291 AromaticContact CZ-CD2 3.43Å; F282-H291 VanDerWaalsContact CZ-CD2 3.43Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.46Å; F282-H291 AromaticContact CZ-CG 3.12Å; F282-H291 AromaticContact CZ-ND1 3.68Å; S287-H291 WeakPolarHBondContact O-CB 3.32Å; S287-H291 PolarHBondContact O-N 3.43Å; F288-H291 PolarHBondContact O-N 3.1Å; H291-K293 PolarHBondContact O-N 3.2Å; H291-Q294 PolarHBondContact ND1-OE1 3.36Å; H291-Q294 VanDerWaalsContact ND1-OE1 3.15Å; H291-Q294 VanDerWaalsContact O-CB 3.29Å; H291-Q294 WeakPolarHBondContact O-CB 3.46Å; H291-Q294 PolarHBondContact O-N 3.43Å; H291-H295 AromaticContact CE1-NE2 3.41Å; H291-H295 PolarHBondContact CE1-NE2 3.29Å; H291-H295 AromaticContact NE2-CD2 3.77Å; H291-H295 AromaticContact NE2-NE2 3.12Å; H291-H295 PolarHBondContact NE2-NE2 2.57Å; H291-H295 VanDerWaalsContact NE2-NE2 3.12Å
292	Q	71.7	Confident	69.1	Low	85 Å²	85	72.7 Å²	72.7	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-32.2	177.1	-170.9	176.7	-17.2	0	0	112.2	F288 K289 V290 Q294 H295	F288-Q292 WeakPolarHBondContact O-CB 3.39Å; F288-Q292 PolarHBondContact O-N 3.4Å; K289-Q292 PolarHBondContact O-N 3.17Å; V290-Q292 PolarHBondContact O-N 3.34Å; Q292-Q294 VanDerWaalsContact C-N 3.26Å; Q292-Q294 PolarHBondContact O-N 3.46Å; Q292-H295 WeakPolarHBondContact O-CB 3.38Å; Q292-H295 PolarHBondContact O-N 3.17Å
293	K	66.7	Low	68.6	Low	133 Å²	133	71.5 Å²	71.5	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-66.2	-25.2	173.7	-70.7	178.5	176.8	-173.6	0	113.6	K289 V290 H291 H295 D296	K289-K293 WeakPolarHBondContact O-CG 3.34Å; K289-K293 PolarHBondContact O-N 3.44Å; K289-K293 VanDerWaalsContact O-N 3.16Å; V290-K293 WeakPolarHBondContact O-CB 3.44Å; V290-K293 PolarHBondContact O-N 2.98Å; H291-K293 PolarHBondContact O-N 3.2Å; K293-H295 PolarHBondContact O-N 2.88Å; K293-D296 WeakPolarHBondContact O-CB 3.47Å; K293-D296 PolarHBondContact O-N 3.31Å
294	Q	63.4	Low	68.4	Low	111 Å²	111	71.2 Å²	71.2	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-28.5	172.4	-62	174.7	-37	0	0	110.3	H291 Q292 D296 E298	H291-Q294 PolarHBondContact ND1-OE1 3.36Å; H291-Q294 VanDerWaalsContact ND1-OE1 3.15Å; H291-Q294 VanDerWaalsContact O-CB 3.29Å; H291-Q294 WeakPolarHBondContact O-CB 3.46Å; H291-Q294 PolarHBondContact O-N 3.43Å; Q292-Q294 VanDerWaalsContact C-N 3.26Å; Q292-Q294 PolarHBondContact O-N 3.46Å; Q294-D296 VanDerWaalsContact C-N 3.33Å; Q294-E298 VanDerWaalsContact O-CG 3.27Å; Q294-E298 WeakPolarHBondContact O-CG 3.43Å
295	H	66.7	Low	68.3	Low	11 Å²	11	75.5 Å²	75.5	5%	0.051	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	171.2	-60.1	-87.4	0	0	0	114.5	K277 H291 Q292 K293 G297 C300	K277-H295 WeakPolarHBondContact CB-CE1 3.43Å; K277-H295 HydrophobicContact CD-CB 3.71Å; K277-H295 VanDerWaalsContact CD-ND1 3.3Å; K277-H295 WeakPolarHBondContact CD-ND1 3.38Å; H291-H295 AromaticContact CE1-NE2 3.41Å; H291-H295 PolarHBondContact CE1-NE2 3.29Å; H291-H295 AromaticContact NE2-CD2 3.77Å; H291-H295 AromaticContact NE2-NE2 3.12Å; H291-H295 PolarHBondContact NE2-NE2 2.57Å; H291-H295 VanDerWaalsContact NE2-NE2 3.12Å; Q292-H295 WeakPolarHBondContact O-CB 3.38Å; Q292-H295 PolarHBondContact O-N 3.17Å; K293-H295 PolarHBondContact O-N 2.88Å; H295-G297 VanDerWaalsContact C-N 3.33Å; H295-G297 PolarHBondContact O-N 2.97Å; H295-C300 PolarHBondContact ND1-SG 3.27Å
296	D	57	Low	68.1	Low	116 Å²	116	72.2 Å²	72.2	62%	0.62	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	81.7	179.6	-74.6	-25.3	0	0	0	109.4	K293 Q294	K293-D296 WeakPolarHBondContact O-CB 3.47Å; K293-D296 PolarHBondContact O-N 3.31Å; Q294-D296 VanDerWaalsContact C-N 3.33Å
297	G	55.1	Low	68	Low	65 Å²	65	79.4 Å²	79.4	67%	0.67	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.7	-27.9	178.8	0	0	0	0	0	112.4	H295	H295-G297 VanDerWaalsContact C-N 3.33Å; H295-G297 PolarHBondContact O-N 2.97Å
298	E	54.2	Low	67.4	Low	113 Å²	113	81 Å²	81	53%	0.528	43%	0.431	S	S	.	.			trans	-74.1	127.1	171.4	-66.8	179.9	-175.1	0	0	109.9	Q294 C300	Q294-E298 VanDerWaalsContact O-CG 3.27Å; Q294-E298 WeakPolarHBondContact O-CG 3.43Å; E298-C300 VanDerWaalsContact C-N 3.25Å; E298-C300 WeakPolarHBondContact CB-SG 3.4Å; E298-C300 PolarHBondContact O-N 3.19Å; E298-C300 PolarHBondContact O-SG 3.3Å
299	R	54.1	Low	66.8	Low	135 Å²	135	80.2 Å²	80.2	51%	0.509	43%	0.431	S	S	.	.			trans	-83.2	76.2	179.3	-60.6	173.1	68.8	146.3	3.4	106.9	F301 S309 A310	R299-F301 VanDerWaalsContact C-N 3.35Å; R299-F301 PolarHBondContact O-N 3.16Å; R299-S309 WeakPolarHBondContact CB-O 3.31Å; R299-S309 PolarHBondContact NE-O 3.32Å; R299-S309 PolarHBondContact NH2-O 3.21Å; R299-S309 WeakPolarHBondContact O-CB 3.37Å; R299-A310 CarbonylContact C-O 3.57Å; R299-A310 VanDerWaalsContact CA-O 3.29Å; R299-A310 WeakPolarHBondContact CA-O 3.46Å
300	C	58.8	Low	66.5	Low	43 Å²	43	74.8 Å²	74.8	29%	0.291	41%	0.408	S	S	.	.			trans	-83.8	-2.5	-171.1	-54.1	0	0	0	0	115	H295 E298 P302 A310	H295-C300 PolarHBondContact ND1-SG 3.27Å; E298-C300 VanDerWaalsContact C-N 3.25Å; E298-C300 WeakPolarHBondContact CB-SG 3.4Å; E298-C300 PolarHBondContact O-N 3.19Å; E298-C300 PolarHBondContact O-SG 3.3Å; C300-P302 VanDerWaalsContact C-CD 3.47Å; C300-P302 WeakPolarHBondContact O-CD 3.11Å; C300-A310 PolarHBondContact N-O 3.39Å; C300-A310 VanDerWaalsContact N-O 3.1Å
301	F	65.6	Low	66.2	Low	36 Å²	36	74.7 Å²	74.7	16%	0.158	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	81.9	177.1	-65.5	-91.5	0	0	0	109.6	K277 R299 S309 A310 S312 Q313 L316	K277-F301 HydrophobicContact CD-CE2 4.36Å; K277-F301 HydrophobicContact CG-CE2 4.49Å; K277-F301 HydrophobicContact CG-CZ 4.2Å; R299-F301 VanDerWaalsContact C-N 3.35Å; R299-F301 PolarHBondContact O-N 3.16Å; F301-S309 CarbonylContact O-C 3.32Å; F301-S309 VanDerWaalsContact O-CA 3.24Å; F301-S309 WeakPolarHBondContact O-CA 3.3Å; F301-A310 HydrophobicContact CB-CB 3.97Å; F301-A310 WeakPolarHBondContact CB-O 3.4Å; F301-A310 WeakPolarHBondContact CD2-O 3.32Å; F301-A310 PolarHBondContact N-O 3.37Å; F301-A310 PolarHBondContact O-N 2.86Å; F301-S312 VanDerWaalsContact CD2-C 3.48Å; F301-S312 VanDerWaalsContact CD2-CA 3.48Å; F301-Q313 HydrophobicContact CD1-CB 4.17Å; F301-Q313 VanDerWaalsContact CD1-OE1 3.22Å; F301-Q313 HydrophobicContact CE1-CB 3.74Å; F301-Q313 VanDerWaalsContact CE1-OE1 3.32Å; F301-Q313 HydrophobicContact CZ-CB 4.22Å; F301-L316 HydrophobicContact CB-CB 4.05Å; F301-L316 HydrophobicContact CB-CD2 3.98Å
302	P	64.9	Low	65.8	Low	87 Å²	87	76 Å²	76	57%	0.565	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	137.7	-179.2	28.1	-34.9	0	0	0	111	C300 S309	C300-P302 VanDerWaalsContact C-CD 3.47Å; C300-P302 WeakPolarHBondContact O-CD 3.11Å; P302-S309 WeakPolarHBondContact CA-OG 3.25Å
303	C	69.7	Low	65.8	Low	9 Å²	9	76.3 Å²	76.3	6%	0.061	42%	0.421	C	S	.	.			trans	-74.2	129.7	164.5	-175	0	0	0	0	108.6	Q305 Y308 L316 H319 M320 H323	C303-Q305 PolarHBondContact O-N 3.47Å; C303-Q305 PolarHBondContact SG-N 2.8Å; C303-Q305 VanDerWaalsContact SG-N 3.45Å; C303-Y308 WeakPolarHBondContact CB-O 3.49Å; C303-Y308 PolarHBondContact N-O 3.15Å; C303-L316 HydrophobicContact CB-CD1 3.97Å; C303-H319 WeakPolarHBondContact CB-NE2 3.4Å; C303-H319 PolarHBondContact SG-NE2 3.12Å; C303-M320 VanDerWaalsContact SG-SD 3.67Å; C303-H323 PolarHBondContact SG-NE2 3.33Å
304	G	75.8	Confident	66.2	Low	86 Å²	86	79.8 Å²	79.8	89%	0.887	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-9	176.4	0	0	0	0	0	114.2
305	Q	74.3	Confident	66.7	Low	111 Å²	111	79.4 Å²	79.4	52%	0.519	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-6.1	-172.9	-63.7	179.2	10.7	0	0	113.8	C303 H323	C303-Q305 PolarHBondContact O-N 3.47Å; C303-Q305 PolarHBondContact SG-N 2.8Å; C303-Q305 VanDerWaalsContact SG-N 3.45Å; Q305-H323 WeakPolarHBondContact CB-CE1 3.36Å; Q305-H323 PolarHBondContact OE1-ND1 3.31Å; Q305-H323 VanDerWaalsContact OE1-ND1 3.12Å
306	C	76.4	Confident	66.9	Low	53 Å²	53	79.9 Å²	79.9	36%	0.358	43%	0.431	S	S	.	.	S	Bend	trans	-159.6	172	172.9	66.8	0	0	0	0	111.8	Y308 H319 H323	C306-Y308 PolarHBondContact O-N 3.09Å; C306-Y308 WeakPolarHBondContact SG-CB 3.5Å; C306-H319 PolarHBondContact SG-CE1 3.4Å; C306-H319 PolarHBondContact SG-NE2 2.67Å; C306-H323 PolarHBondContact SG-NE2 2.72Å
307	Q	73.5	Confident	67.8	Low	199 Å²	199	78.6 Å²	78.6	93%	0.93	43%	0.425	S	S	*	.	S	Bend	trans	-69.2	0.6	177.6	-61.5	-174.7	5	0	0	114	S309	Q307-S309 PolarHBondContact O-N 3.34Å
308	Y	67.8	Low	68.7	Low	79 Å²	79	78.2 Å²	78.2	31%	0.31	42%	0.415	S	S	.	.			trans	-67.7	128.5	173.9	-176.5	-85.4	0	0	0	109.4	C303 C306 A310 H319	C303-Y308 WeakPolarHBondContact CB-O 3.49Å; C303-Y308 PolarHBondContact N-O 3.15Å; C306-Y308 PolarHBondContact O-N 3.09Å; C306-Y308 WeakPolarHBondContact SG-CB 3.5Å; Y308-A310 HydrophobicContact CE1-CB 3.82Å; Y308-H319 VanDerWaalsContact CB-CE1 3.41Å; Y308-H319 WeakPolarHBondContact CB-CE1 3.39Å; Y308-H319 HydrophobicContact CD1-CB 3.86Å; Y308-H319 AromaticContact CD1-CD2 3.34Å; Y308-H319 WeakPolarHBondContact CD1-CD2 3.43Å; Y308-H319 AromaticContact CD1-CE1 3.7Å; Y308-H319 AromaticContact CD1-CG 3.23Å; Y308-H319 AromaticContact CD1-ND1 3.47Å; Y308-H319 WeakPolarHBondContact CD1-ND1 3.29Å; Y308-H319 AromaticContact CD1-NE2 3.62Å; Y308-H319 AromaticContact CD2-CE1 3.96Å; Y308-H319 AromaticContact CD2-ND1 3.71Å; Y308-H319 HydrophobicContact CE1-CB 3.43Å; Y308-H319 VanDerWaalsContact CE1-CB 3.43Å; Y308-H319 AromaticContact CE1-CD2 3.89Å; Y308-H319 AromaticContact CE1-CG 3.37Å; Y308-H319 AromaticContact CE1-ND1 3.8Å; Y308-H319 AromaticContact CG-CD2 3.91Å; Y308-H319 AromaticContact CG-CE1 3.43Å; Y308-H319 VanDerWaalsContact CG-CE1 3.43Å; Y308-H319 AromaticContact CG-CG 3.74Å; Y308-H319 AromaticContact CG-ND1 3.44Å; Y308-H319 AromaticContact CG-NE2 3.7Å; Y308-H319 AromaticContact CZ-CG 3.99Å
309	S	66.8	Low	69.7	Low	29 Å²	29	73.8 Å²	73.8	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.4	165.1	-53.8	0	0	0	0	109.5	R299 F301 P302 Q307	R299-S309 WeakPolarHBondContact CB-O 3.31Å; R299-S309 PolarHBondContact NE-O 3.32Å; R299-S309 PolarHBondContact NH2-O 3.21Å; R299-S309 WeakPolarHBondContact O-CB 3.37Å; F301-S309 CarbonylContact O-C 3.32Å; F301-S309 VanDerWaalsContact O-CA 3.24Å; F301-S309 WeakPolarHBondContact O-CA 3.3Å; P302-S309 WeakPolarHBondContact CA-OG 3.25Å; Q307-S309 PolarHBondContact O-N 3.34Å
310	A	67.7	Low	70.8	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	157.1	177.4	0	0	0	0	0	110.8	R299 C300 F301 Y308 S312 H315 L316	R299-A310 CarbonylContact C-O 3.57Å; R299-A310 VanDerWaalsContact CA-O 3.29Å; R299-A310 WeakPolarHBondContact CA-O 3.46Å; C300-A310 PolarHBondContact N-O 3.39Å; C300-A310 VanDerWaalsContact N-O 3.1Å; F301-A310 HydrophobicContact CB-CB 3.97Å; F301-A310 WeakPolarHBondContact CB-O 3.4Å; F301-A310 WeakPolarHBondContact CD2-O 3.32Å; F301-A310 PolarHBondContact N-O 3.37Å; F301-A310 PolarHBondContact O-N 2.86Å; Y308-A310 HydrophobicContact CE1-CB 3.82Å; A310-S312 WeakPolarHBondContact CB-O 3.3Å; A310-H315 HydrophobicContact CB-CB 3.83Å; A310-L316 HydrophobicContact CB-CB 3.72Å; A310-L316 VanDerWaalsContact CB-N 3.26Å
311	S	65.8	Low	71.5	Confident	56 Å²	56	70.5 Å²	70.5	39%	0.392	39%	0.388	S	S	.	.	S	Bend	trans	-83	-15.9	172.1	54.1	0	0	0	0	112.9	K277	K277-S311 PolarHBondContact NZ-O 3.43Å
312	S	65.7	Low	71.6	Confident	37 Å²	37	71.5 Å²	71.5	26%	0.259	40%	0.397	S	S	.	.	S	Bend	trans	-145.1	153.7	173.6	80.3	0	0	0	0	112.1	F301 A310 R314 H315 L316	F301-S312 VanDerWaalsContact CD2-C 3.48Å; F301-S312 VanDerWaalsContact CD2-CA 3.48Å; A310-S312 WeakPolarHBondContact CB-O 3.3Å; S312-R314 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 3.19Å; S312-H315 PolarHBondContact O-N 3.36Å; S312-H315 PolarHBondContact OG-N 3.26Å; S312-H315 PolarHBondContact OG-ND1 2.97Å; S312-L316 PolarHBondContact O-N 3.14Å
313	Q	71.1	Confident	72.2	Confident	92 Å²	92	70.2 Å²	70.2	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-51.1	-46.5	175.7	-173.6	63.2	40.6	0	0	112.1	F301 H315 L316 D317	F301-Q313 HydrophobicContact CD1-CB 4.17Å; F301-Q313 VanDerWaalsContact CD1-OE1 3.22Å; F301-Q313 HydrophobicContact CE1-CB 3.74Å; F301-Q313 VanDerWaalsContact CE1-OE1 3.32Å; F301-Q313 HydrophobicContact CZ-CB 4.22Å; Q313-H315 VanDerWaalsContact C-N 3.26Å; Q313-H315 PolarHBondContact O-N 3.04Å; Q313-L316 CarbonylContact O-C 3.59Å; Q313-L316 WeakPolarHBondContact O-CA 3.39Å; Q313-L316 WeakPolarHBondContact O-CB 3.4Å; Q313-L316 PolarHBondContact O-N 3.43Å; Q313-D317 PolarHBondContact NE2-OD1 2.87Å; Q313-D317 PolarHBondContact O-N 3.13Å
314	R	76	Confident	72.3	Confident	207 Å²	207	76.7 Å²	76.7	78%	0.781	41%	0.408	S	S	*	.	H	α-helix	trans	-58.5	-35.4	178.4	-177.7	177.9	175.6	171.1	1.1	113.3	S312 A318	S312-R314 VanDerWaalsContact C-N 3.29Å; S312-R314 PolarHBondContact O-N 3.19Å; R314-A318 WeakPolarHBondContact O-CB 3.4Å; R314-A318 PolarHBondContact O-N 3.09Å
315	H	74.5	Confident	71.6	Confident	103 Å²	103	77.4 Å²	77.4	48%	0.477	39%	0.391	S	S	.	.	H	α-helix	trans	-75.1	-32.3	175.1	-70.4	102.5	0	0	0	111.6	A310 S312 Q313 H319	A310-H315 HydrophobicContact CB-CB 3.83Å; S312-H315 PolarHBondContact O-N 3.36Å; S312-H315 PolarHBondContact OG-N 3.26Å; S312-H315 PolarHBondContact OG-ND1 2.97Å; Q313-H315 VanDerWaalsContact C-N 3.26Å; Q313-H315 PolarHBondContact O-N 3.04Å; H315-H319 VanDerWaalsContact O-CB 3.25Å; H315-H319 WeakPolarHBondContact O-CB 3.44Å; H315-H319 PolarHBondContact O-N 3.45Å
316	L	70	Confident	71.6	Confident	20 Å²	20	75.1 Å²	75.1	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-47	170.9	-179.3	63.6	0	0	0	110.3	F301 C303 A310 S312 Q313 A318 H319 M320	F301-L316 HydrophobicContact CB-CB 4.05Å; F301-L316 HydrophobicContact CB-CD2 3.98Å; C303-L316 HydrophobicContact CB-CD1 3.97Å; A310-L316 HydrophobicContact CB-CB 3.72Å; A310-L316 VanDerWaalsContact CB-N 3.26Å; S312-L316 PolarHBondContact O-N 3.14Å; Q313-L316 CarbonylContact O-C 3.59Å; Q313-L316 WeakPolarHBondContact O-CA 3.39Å; Q313-L316 WeakPolarHBondContact O-CB 3.4Å; Q313-L316 PolarHBondContact O-N 3.43Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.83Å; L316-H319 CarbonylContact O-C 3.4Å; L316-H319 WeakPolarHBondContact O-CA 3.38Å; L316-H319 WeakPolarHBondContact O-CB 3.44Å; L316-H319 PolarHBondContact O-N 2.79Å; L316-M320 HydrophobicContact CG-CG 4.48Å; L316-M320 WeakPolarHBondContact O-CG 3.34Å; L316-M320 PolarHBondContact O-N 3.09Å
317	D	75.9	Confident	71.6	Confident	89 Å²	89	78.7 Å²	78.7	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-43.2	177.7	-55.1	-28.1	0	0	0	111.2	Q313 H319 M320	Q313-D317 PolarHBondContact NE2-OD1 2.87Å; Q313-D317 PolarHBondContact O-N 3.13Å; D317-H319 VanDerWaalsContact C-N 3.32Å; D317-H319 PolarHBondContact O-N 2.97Å; D317-M320 PolarHBondContact O-N 3.34Å
318	A	73.7	Confident	71.8	Confident	57 Å²	57	73.6 Å²	73.6	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-35.3	173	0	0	0	0	0	112.3	R314 L316 S321	R314-A318 WeakPolarHBondContact O-CB 3.4Å; R314-A318 PolarHBondContact O-N 3.09Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.83Å; A318-S321 WeakPolarHBondContact O-CB 3.46Å; A318-S321 PolarHBondContact O-N 3.18Å; A318-S321 PolarHBondContact O-OG 2.78Å
319	H	76.6	Confident	72.5	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-70.1	-35.6	174.3	166.3	74	0	0	0	112.5	C303 C306 Y308 H315 L316 D317 S321 T322 H323	C303-H319 WeakPolarHBondContact CB-NE2 3.4Å; C303-H319 PolarHBondContact SG-NE2 3.12Å; C306-H319 PolarHBondContact SG-CE1 3.4Å; C306-H319 PolarHBondContact SG-NE2 2.67Å; Y308-H319 VanDerWaalsContact CB-CE1 3.41Å; Y308-H319 WeakPolarHBondContact CB-CE1 3.39Å; Y308-H319 HydrophobicContact CD1-CB 3.86Å; Y308-H319 AromaticContact CD1-CD2 3.34Å; Y308-H319 WeakPolarHBondContact CD1-CD2 3.43Å; Y308-H319 AromaticContact CD1-CE1 3.7Å; Y308-H319 AromaticContact CD1-CG 3.23Å; Y308-H319 AromaticContact CD1-ND1 3.47Å; Y308-H319 WeakPolarHBondContact CD1-ND1 3.29Å; Y308-H319 AromaticContact CD1-NE2 3.62Å; Y308-H319 AromaticContact CD2-CE1 3.96Å; Y308-H319 AromaticContact CD2-ND1 3.71Å; Y308-H319 HydrophobicContact CE1-CB 3.43Å; Y308-H319 VanDerWaalsContact CE1-CB 3.43Å; Y308-H319 AromaticContact CE1-CD2 3.89Å; Y308-H319 AromaticContact CE1-CG 3.37Å; Y308-H319 AromaticContact CE1-ND1 3.8Å; Y308-H319 AromaticContact CG-CD2 3.91Å; Y308-H319 AromaticContact CG-CE1 3.43Å; Y308-H319 VanDerWaalsContact CG-CE1 3.43Å; Y308-H319 AromaticContact CG-CG 3.74Å; Y308-H319 AromaticContact CG-ND1 3.44Å; Y308-H319 AromaticContact CG-NE2 3.7Å; Y308-H319 AromaticContact CZ-CG 3.99Å; H315-H319 VanDerWaalsContact O-CB 3.25Å; H315-H319 WeakPolarHBondContact O-CB 3.44Å; H315-H319 PolarHBondContact O-N 3.45Å; L316-H319 CarbonylContact O-C 3.4Å; L316-H319 WeakPolarHBondContact O-CA 3.38Å; L316-H319 WeakPolarHBondContact O-CB 3.44Å; L316-H319 PolarHBondContact O-N 2.79Å; D317-H319 VanDerWaalsContact C-N 3.32Å; D317-H319 PolarHBondContact O-N 2.97Å; H319-S321 PolarHBondContact O-N 3.34Å; H319-S321 VanDerWaalsContact O-N 3.13Å; H319-T322 PolarHBondContact CE1-OG1 2.8Å; H319-T322 PolarHBondContact ND1-OG1 3.18Å; H319-T322 VanDerWaalsContact O-CB 3.3Å; H319-T322 WeakPolarHBondContact O-CB 3.37Å; H319-T322 WeakPolarHBondContact O-CG2 3.4Å; H319-T322 PolarHBondContact O-N 3.33Å; H319-T322 PolarHBondContact O-OG1 3.25Å; H319-H323 AromaticContact CE1-NE2 3.93Å; H319-H323 AromaticContact NE2-CD2 3.81Å; H319-H323 AromaticContact NE2-NE2 3.37Å; H319-H323 PolarHBondContact NE2-NE2 2.71Å
320	M	75.4	Confident	73.3	Confident	46 Å²	46	79.7 Å²	79.7	23%	0.227	41%	0.406	C	S	.	.	H	α-helix	trans	-58.1	-28.6	175.9	-70.1	-56.5	-64.4	0	0	111.7	C303 L316 D317 T322 H323 Y324	C303-M320 VanDerWaalsContact SG-SD 3.67Å; L316-M320 HydrophobicContact CG-CG 4.48Å; L316-M320 WeakPolarHBondContact O-CG 3.34Å; L316-M320 PolarHBondContact O-N 3.09Å; D317-M320 PolarHBondContact O-N 3.34Å; M320-T322 PolarHBondContact O-N 3.07Å; M320-T322 VanDerWaalsContact O-N 3.08Å; M320-H323 PolarHBondContact O-N 3.25Å; M320-H323 VanDerWaalsContact O-N 3.11Å; M320-Y324 HydrophobicContact CB-CE2 4.46Å; M320-Y324 HydrophobicContact CE-CE2 4.35Å; M320-Y324 WeakPolarHBondContact O-CD2 3.47Å; M320-Y324 PolarHBondContact O-N 3.28Å
321	S	73.5	Confident	74.3	Confident	63 Å²	63	80.1 Å²	80.1	44%	0.441	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.6	170.7	79.6	0	0	0	0	115	A318 H319	A318-S321 WeakPolarHBondContact O-CB 3.46Å; A318-S321 PolarHBondContact O-N 3.18Å; A318-S321 PolarHBondContact O-OG 2.78Å; H319-S321 PolarHBondContact O-N 3.34Å; H319-S321 VanDerWaalsContact O-N 3.13Å
322	T	69.1	Low	75.3	Confident	56 Å²	56	83.5 Å²	83.5	34%	0.344	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-21.5	173.7	67.6	0	0	0	0	113.4	H319 M320	H319-T322 PolarHBondContact CE1-OG1 2.8Å; H319-T322 PolarHBondContact ND1-OG1 3.18Å; H319-T322 VanDerWaalsContact O-CB 3.3Å; H319-T322 WeakPolarHBondContact O-CB 3.37Å; H319-T322 WeakPolarHBondContact O-CG2 3.4Å; H319-T322 PolarHBondContact O-N 3.33Å; H319-T322 PolarHBondContact O-OG1 3.25Å; M320-T322 PolarHBondContact O-N 3.07Å; M320-T322 VanDerWaalsContact O-N 3.08Å
323	H	77.1	Confident	76.2	Confident	60 Å²	60	87.1 Å²	87.1	28%	0.278	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-42.4	174.7	-74	-71.4	0	0	0	111.6	C303 Q305 C306 H319 M320 D325	C303-H323 PolarHBondContact SG-NE2 3.33Å; Q305-H323 WeakPolarHBondContact CB-CE1 3.36Å; Q305-H323 PolarHBondContact OE1-ND1 3.31Å; Q305-H323 VanDerWaalsContact OE1-ND1 3.12Å; C306-H323 PolarHBondContact SG-NE2 2.72Å; H319-H323 AromaticContact CE1-NE2 3.93Å; H319-H323 AromaticContact NE2-CD2 3.81Å; H319-H323 AromaticContact NE2-NE2 3.37Å; H319-H323 PolarHBondContact NE2-NE2 2.71Å; M320-H323 PolarHBondContact O-N 3.25Å; M320-H323 VanDerWaalsContact O-N 3.11Å; H323-D325 PolarHBondContact O-N 3.2Å; H323-D325 VanDerWaalsContact O-N 3.1Å
324	Y	70.5	Confident	77	Confident	146 Å²	146	84.6 Å²	84.6	57%	0.573	43%	0.432	S	S	*	.	S	Bend	trans	-76	99.3	166.8	-50.6	-70.7	0	0	0	106.7	M320 A326	M320-Y324 HydrophobicContact CB-CE2 4.46Å; M320-Y324 HydrophobicContact CE-CE2 4.35Å; M320-Y324 WeakPolarHBondContact O-CD2 3.47Å; M320-Y324 PolarHBondContact O-N 3.28Å; Y324-A326 PolarHBondContact O-N 3.27Å
325	D	63.1	Low	77.4	Confident	101 Å²	101	83 Å²	83	54%	0.54	44%	0.439	S	S	.	.			trans	-67.8	30.1	-177.6	-130.1	-28	0	0	0	113.7	H323 R327 R339	H323-D325 PolarHBondContact O-N 3.2Å; H323-D325 VanDerWaalsContact O-N 3.1Å; D325-R327 PolarHBondContact O-N 3.06Å; D325-R339 IonicContact OD1-CZ 3.14Å; D325-R339 IonicContact OD1-NE 3.04Å; D325-R339 PolarHBondContact OD1-NE 3.47Å; D325-R339 IonicContact OD1-NH2 2.62Å; D325-R339 PolarHBondContact OD1-NH2 3.39Å; D325-R339 IonicContact OD2-NH2 3.49Å; D325-R339 PolarHBondContact OD2-NH2 3.14Å
326	A	73	Confident	78.1	Confident	62 Å²	62	85.1 Å²	85.1	51%	0.512	44%	0.443	S	S	.	.			trans	-64.8	115.8	176.8	0	0	0	0	0	109.4	Y324 P328	Y324-A326 PolarHBondContact O-N 3.27Å; A326-P328 WeakPolarHBondContact O-CD 3.5Å
327	R	76.2	Confident	78.8	Confident	129 Å²	129	86 Å²	86	49%	0.487	45%	0.451	S	S	.	.			trans	-108.5	72.8	171.4	-67.2	170.9	170.9	-135.4	10.8	109	D325 F329 S337 F338 R339	D325-R327 PolarHBondContact O-N 3.06Å; R327-F329 PolarHBondContact O-N 3.41Å; R327-S337 WeakPolarHBondContact CB-OG 3.37Å; R327-S337 WeakPolarHBondContact CD-O 3.28Å; R327-S337 WeakPolarHBondContact CD-OG 3.17Å; R327-S337 PolarHBondContact NH1-O 3.28Å; R327-F338 CarbonylContact C-O 3.59Å; R327-F338 WeakPolarHBondContact CA-O 3.1Å; R327-R339 HydrophobicContact CG-CG 3.75Å
328	P	77.4	Confident	79.2	Confident	91 Å²	91	83.4 Å²	83.4	59%	0.591	44%	0.435	S	S	*	.			trans	-66.6	-19.3	-173	25.3	-33.5	0	0	0	113.3	A326 K330	A326-P328 WeakPolarHBondContact O-CD 3.5Å; P328-K330 PolarHBondContact O-N 2.95Å
329	F	83.7	Confident	79.5	Confident	73 Å²	73	85.6 Å²	85.6	32%	0.32	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	87.5	-175.2	-55.2	-75.9	0	0	0	111.2	R327 S337 F338 Q340 L341 L344	R327-F329 PolarHBondContact O-N 3.41Å; F329-S337 CarbonylContact O-C 3.48Å; F329-S337 WeakPolarHBondContact O-CA 3.44Å; F329-F338 HydrophobicContact CB-CB 4.4Å; F329-F338 WeakPolarHBondContact CB-O 3.25Å; F329-F338 PolarHBondContact N-O 3.2Å; F329-F338 PolarHBondContact O-N 3.38Å; F329-Q340 VanDerWaalsContact CD2-C 3.49Å; F329-L341 HydrophobicContact CD1-CB 4.11Å; F329-L341 HydrophobicContact CD1-CD1 3.86Å; F329-L341 HydrophobicContact CE1-CB 3.89Å; F329-L341 HydrophobicContact CE1-CD1 4.09Å; F329-L341 HydrophobicContact CE1-CG 4.48Å; F329-L341 HydrophobicContact CE2-CB 4.34Å; F329-L341 HydrophobicContact CG-CB 4.43Å; F329-L341 HydrophobicContact CZ-CB 4.02Å; F329-L344 HydrophobicContact CB-CB 4.2Å; F329-L344 HydrophobicContact CB-CD2 3.94Å
330	K	84.3	Confident	79.6	Confident	164 Å²	164	89.6 Å²	89.6	71%	0.713	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.5	171.9	61.4	-178.1	-180	178.1	0	111.9	P328	P328-K330 PolarHBondContact O-N 2.95Å
331	C	88.4	Confident	80.1	Confident	10 Å²	10	91.1 Å²	91.1	7%	0.068	46%	0.459	C	S	.	.			trans	-70.9	143.1	167.1	-173	0	0	0	0	109.4	E333 C334 R336 F338 L344 H347 L348	C331-E333 PolarHBondContact SG-N 2.63Å; C331-C334 WeakPolarHBondContact CB-O 3.37Å; C331-C334 VanDerWaalsContact O-O 3.11Å; C331-R336 VanDerWaalsContact CB-O 3.31Å; C331-R336 WeakPolarHBondContact CB-O 3.25Å; C331-R336 PolarHBondContact N-O 3.23Å; C331-F338 HydrophobicContact CB-CE2 4.34Å; C331-L344 HydrophobicContact CB-CD1 3.78Å; C331-H347 PolarHBondContact SG-NE2 3.31Å; C331-H347 VanDerWaalsContact SG-NE2 3.36Å; C331-L348 WeakPolarHBondContact SG-CD2 3.39Å
332	T	85.7	Confident	80.7	Confident	126 Å²	126	94.8 Å²	94.8	77%	0.773	47%	0.469	S	S	*	.	S	Bend	trans	-85.2	-17.4	177.4	47.5	0	0	0	0	112.6
333	E	84.6	Confident	81.6	Confident	114 Å²	114	94.8 Å²	94.8	53%	0.533	47%	0.465	S	S	.	.	S	Bend	trans	-111.4	-3.3	-174.3	-64	-179.2	-139.3	0	0	113.2	C331 H352	C331-E333 PolarHBondContact SG-N 2.63Å; E333-H352 WeakPolarHBondContact CB-CE1 3.22Å; E333-H352 WeakPolarHBondContact CB-ND1 3.41Å; E333-H352 PolarHBondContact O-CE1 3.24Å; E333-H352 WeakPolarHBondContact OE2-CB 3.07Å; E333-H352 IonicContact OE2-CE1 3.88Å; E333-H352 IonicContact OE2-CG 3.17Å; E333-H352 IonicContact OE2-ND1 2.81Å; E333-H352 PolarHBondContact OE2-ND1 3.16Å
334	C	89.4	Confident	82.2	Confident	39 Å²	39	92.7 Å²	92.7	26%	0.264	46%	0.456	S	S	.	.	S	Bend	trans	-159.2	168.6	169.5	69.2	0	0	0	0	111.2	C331 R336 H347 H352	C331-C334 WeakPolarHBondContact CB-O 3.37Å; C331-C334 VanDerWaalsContact O-O 3.11Å; C334-R336 PolarHBondContact O-N 3.33Å; C334-H347 VanDerWaalsContact SG-CE1 3.56Å; C334-H347 PolarHBondContact SG-NE2 2.76Å; C334-H352 PolarHBondContact SG-NE2 2.73Å; C334-H352 VanDerWaalsContact SG-NE2 3.43Å
335	D	84.2	Confident	83.1	Confident	174 Å²	174	91.6 Å²	91.6	93%	0.93	45%	0.454	S	S	*	.	S	Bend	trans	-75.2	17.9	-176.7	-58.6	-46.1	0	0	0	114.9
336	R	87.4	Confident	84.2	Confident	147 Å²	147	94.3 Å²	94.3	56%	0.555	46%	0.457	S	S	*	.			trans	-85	122.8	-179.2	-69.9	-175	153.8	-161.1	-6.3	111.4	C331 C334 F338	C331-R336 VanDerWaalsContact CB-O 3.31Å; C331-R336 WeakPolarHBondContact CB-O 3.25Å; C331-R336 PolarHBondContact N-O 3.23Å; C334-R336 PolarHBondContact O-N 3.33Å; R336-F338 HydrophobicContact CB-CE2 3.75Å; R336-F338 HydrophobicContact CB-CZ 3.79Å; R336-F338 WeakPolarHBondContact O-CE2 3.36Å
337	S	84.7	Confident	85	Confident	39 Å²	39	92 Å²	92	27%	0.273	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141	170.8	61.9	0	0	0	0	111.7	R327 F329	R327-S337 WeakPolarHBondContact CB-OG 3.37Å; R327-S337 WeakPolarHBondContact CD-O 3.28Å; R327-S337 WeakPolarHBondContact CD-OG 3.17Å; R327-S337 PolarHBondContact NH1-O 3.28Å; F329-S337 CarbonylContact O-C 3.48Å; F329-S337 WeakPolarHBondContact O-CA 3.44Å
338	F	84.7	Confident	85.6	Confident	34 Å²	34	88 Å²	88	15%	0.149	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.7	-174.5	-60	-87.1	0	0	0	111	R327 F329 C331 R336 Q340 M343 L344 H347	R327-F338 CarbonylContact C-O 3.59Å; R327-F338 WeakPolarHBondContact CA-O 3.1Å; F329-F338 HydrophobicContact CB-CB 4.4Å; F329-F338 WeakPolarHBondContact CB-O 3.25Å; F329-F338 PolarHBondContact N-O 3.2Å; F329-F338 PolarHBondContact O-N 3.38Å; C331-F338 HydrophobicContact CB-CE2 4.34Å; R336-F338 HydrophobicContact CB-CE2 3.75Å; R336-F338 HydrophobicContact CB-CZ 3.79Å; R336-F338 WeakPolarHBondContact O-CE2 3.36Å; F338-Q340 VanDerWaalsContact C-N 3.28Å; F338-Q340 PolarHBondContact O-N 2.77Å; F338-M343 HydrophobicContact CB-CB 4.04Å; F338-M343 HydrophobicContact CD1-CB 3.72Å; F338-M343 HydrophobicContact CG-CB 4.15Å; F338-L344 HydrophobicContact CB-CB 4.23Å; F338-L344 HydrophobicContact CD2-CB 3.74Å; F338-L344 HydrophobicContact CD2-CD1 3.72Å; F338-L344 HydrophobicContact CD2-CG 4.32Å; F338-L344 HydrophobicContact CE2-CB 4.47Å; F338-L344 HydrophobicContact CE2-CD1 3.82Å; F338-L344 HydrophobicContact CG-CB 4.14Å; F338-H347 HydrophobicContact CE1-CB 3.84Å; F338-H347 HydrophobicContact CE2-CB 3.88Å; F338-H347 AromaticContact CE2-CD2 3.33Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.34Å; F338-H347 AromaticContact CE2-CG 3.7Å; F338-H347 HydrophobicContact CZ-CB 3.32Å; F338-H347 AromaticContact CZ-CD2 3.35Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.3Å; F338-H347 AromaticContact CZ-CG 3.23Å; F338-H347 AromaticContact CZ-ND1 3.94Å
339	R	80	Confident	86	Confident	103 Å²	103	86.2 Å²	86.2	39%	0.389	41%	0.409	S	S	.	.	S	Bend	trans	-69.4	-24.8	175.9	-63	-173.1	-177.3	172.3	2.7	113	D325 R327	D325-R339 IonicContact OD1-CZ 3.14Å; D325-R339 IonicContact OD1-NE 3.04Å; D325-R339 PolarHBondContact OD1-NE 3.47Å; D325-R339 IonicContact OD1-NH2 2.62Å; D325-R339 PolarHBondContact OD1-NH2 3.39Å; D325-R339 IonicContact OD2-NH2 3.49Å; D325-R339 PolarHBondContact OD2-NH2 3.14Å; R327-R339 HydrophobicContact CG-CG 3.75Å
340	Q	79.6	Confident	86.2	Confident	104 Å²	104	86.7 Å²	86.7	49%	0.486	42%	0.418	S	S	.	.	S	Bend	trans	-135.4	142.2	-176.8	-65.9	176.8	-3.2	0	0	111.5	F329 F338 Q342 M343 L344	F329-Q340 VanDerWaalsContact CD2-C 3.49Å; F338-Q340 VanDerWaalsContact C-N 3.28Å; F338-Q340 PolarHBondContact O-N 2.77Å; Q340-Q342 PolarHBondContact O-N 2.97Å; Q340-M343 HydrophobicContact CB-CG 4.17Å; Q340-M343 WeakPolarHBondContact O-CB 3.3Å; Q340-M343 PolarHBondContact O-N 3.32Å; Q340-L344 PolarHBondContact O-N 2.92Å
341	L	84.6	Confident	86.2	Confident	79 Å²	79	86 Å²	86	41%	0.414	42%	0.415	S	S	.	.	H	α-helix	trans	-56.3	-36.7	177.8	-177.1	63.5	0	0	0	112.9	F329 M343 L344 K345	F329-L341 HydrophobicContact CD1-CB 4.11Å; F329-L341 HydrophobicContact CD1-CD1 3.86Å; F329-L341 HydrophobicContact CE1-CB 3.89Å; F329-L341 HydrophobicContact CE1-CD1 4.09Å; F329-L341 HydrophobicContact CE1-CG 4.48Å; F329-L341 HydrophobicContact CE2-CB 4.34Å; F329-L341 HydrophobicContact CG-CB 4.43Å; F329-L341 HydrophobicContact CZ-CB 4.02Å; L341-M343 VanDerWaalsContact C-N 3.27Å; L341-M343 PolarHBondContact O-N 3.48Å; L341-L344 PolarHBondContact O-N 3.18Å; L341-K345 HydrophobicContact CG-CD 4.46Å; L341-K345 WeakPolarHBondContact O-CG 3.24Å; L341-K345 PolarHBondContact O-N 3.31Å
342	Q	86.8	Confident	86.1	Confident	140 Å²	140	87.7 Å²	87.7	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-64.1	-33.5	178.3	-172.5	177.3	1.3	0	0	112.3	Q340 R346	Q340-Q342 PolarHBondContact O-N 2.97Å; Q342-R346 WeakPolarHBondContact O-CB 3.28Å; Q342-R346 PolarHBondContact O-N 3.35Å
343	M	88	Confident	86.1	Confident	55 Å²	55	84.9 Å²	84.9	27%	0.271	40%	0.402	S	S	.	.	H	α-helix	trans	-71.4	-40.1	177.5	-61.7	-60.3	139.9	0	0	111.1	F338 Q340 L341 R346 H347	F338-M343 HydrophobicContact CB-CB 4.04Å; F338-M343 HydrophobicContact CD1-CB 3.72Å; F338-M343 HydrophobicContact CG-CB 4.15Å; Q340-M343 HydrophobicContact CB-CG 4.17Å; Q340-M343 WeakPolarHBondContact O-CB 3.3Å; Q340-M343 PolarHBondContact O-N 3.32Å; L341-M343 VanDerWaalsContact C-N 3.27Å; L341-M343 PolarHBondContact O-N 3.48Å; M343-R346 PolarHBondContact O-N 3.08Å; M343-R346 VanDerWaalsContact SD-CZ 3.54Å; M343-R346 PolarHBondContact SD-NH2 2.88Å; M343-H347 WeakPolarHBondContact O-CB 3.47Å; M343-H347 PolarHBondContact O-N 3.23Å
344	L	89.5	Confident	85.9	Confident	17 Å²	17	85.2 Å²	85.2	9%	0.089	41%	0.414	C	S	.	.	H	α-helix	trans	-60.8	-50.4	171.2	173.9	60.7	0	0	0	111	F329 C331 F338 Q340 L341 R346 H347 L348	F329-L344 HydrophobicContact CB-CB 4.2Å; F329-L344 HydrophobicContact CB-CD2 3.94Å; C331-L344 HydrophobicContact CB-CD1 3.78Å; F338-L344 HydrophobicContact CB-CB 4.23Å; F338-L344 HydrophobicContact CD2-CB 3.74Å; F338-L344 HydrophobicContact CD2-CD1 3.72Å; F338-L344 HydrophobicContact CD2-CG 4.32Å; F338-L344 HydrophobicContact CE2-CB 4.47Å; F338-L344 HydrophobicContact CE2-CD1 3.82Å; F338-L344 HydrophobicContact CG-CB 4.14Å; Q340-L344 PolarHBondContact O-N 2.92Å; L341-L344 PolarHBondContact O-N 3.18Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 3.07Å; L344-H347 CarbonylContact O-C 3.45Å; L344-H347 WeakPolarHBondContact O-CA 3.28Å; L344-H347 WeakPolarHBondContact O-CB 3.34Å; L344-H347 PolarHBondContact O-N 3.18Å; L344-L348 HydrophobicContact CD1-CD1 4.01Å; L344-L348 HydrophobicContact CD1-CD2 4.42Å; L344-L348 HydrophobicContact CD1-CG 3.91Å; L344-L348 HydrophobicContact CG-CD1 3.96Å; L344-L348 HydrophobicContact CG-CG 4.31Å; L344-L348 WeakPolarHBondContact O-CG 3.16Å; L344-L348 PolarHBondContact O-N 2.78Å
345	K	88.9	Confident	85.7	Confident	123 Å²	123	90.1 Å²	90.1	54%	0.535	44%	0.438	S	S	.	.	H	α-helix	trans	-57	-43.7	177.5	-75	-177.2	177.7	-176.1	0	112.5	L341 H347 N349	L341-K345 HydrophobicContact CG-CD 4.46Å; L341-K345 WeakPolarHBondContact O-CG 3.24Å; L341-K345 PolarHBondContact O-N 3.31Å; K345-H347 VanDerWaalsContact C-N 3.34Å; K345-N349 VanDerWaalsContact O-CB 3.31Å; K345-N349 WeakPolarHBondContact O-CB 3.48Å; K345-N349 PolarHBondContact O-N 2.89Å
346	R	87.6	Confident	85.7	Confident	157 Å²	157	85.8 Å²	85.8	59%	0.592	41%	0.409	S	S	*	.	H	α-helix	trans	-63.3	-40.6	175.4	-177.4	179.1	65.9	173	3.5	111.6	Q342 M343 L344 T350	Q342-R346 WeakPolarHBondContact O-CB 3.28Å; Q342-R346 PolarHBondContact O-N 3.35Å; M343-R346 PolarHBondContact O-N 3.08Å; M343-R346 VanDerWaalsContact SD-CZ 3.54Å; M343-R346 PolarHBondContact SD-NH2 2.88Å; L344-R346 VanDerWaalsContact C-N 3.32Å; L344-R346 PolarHBondContact O-N 3.07Å; R346-T350 HydrophobicContact CG-CG2 4.5Å; R346-T350 WeakPolarHBondContact O-CB 3.28Å; R346-T350 WeakPolarHBondContact O-CG2 3.21Å; R346-T350 PolarHBondContact O-N 3.48Å; R346-T350 PolarHBondContact O-OG1 2.78Å
347	H	88.9	Confident	85.5	Confident	13 Å²	13	84.6 Å²	84.6	6%	0.06	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-49	177.3	163.3	63.8	0	0	0	112.1	C331 C334 F338 M343 L344 K345 N349 T350 K351 H352	C331-H347 PolarHBondContact SG-NE2 3.31Å; C331-H347 VanDerWaalsContact SG-NE2 3.36Å; C334-H347 VanDerWaalsContact SG-CE1 3.56Å; C334-H347 PolarHBondContact SG-NE2 2.76Å; F338-H347 HydrophobicContact CE1-CB 3.84Å; F338-H347 HydrophobicContact CE2-CB 3.88Å; F338-H347 AromaticContact CE2-CD2 3.33Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.34Å; F338-H347 AromaticContact CE2-CG 3.7Å; F338-H347 HydrophobicContact CZ-CB 3.32Å; F338-H347 AromaticContact CZ-CD2 3.35Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.3Å; F338-H347 AromaticContact CZ-CG 3.23Å; F338-H347 AromaticContact CZ-ND1 3.94Å; M343-H347 WeakPolarHBondContact O-CB 3.47Å; M343-H347 PolarHBondContact O-N 3.23Å; L344-H347 CarbonylContact O-C 3.45Å; L344-H347 WeakPolarHBondContact O-CA 3.28Å; L344-H347 WeakPolarHBondContact O-CB 3.34Å; L344-H347 PolarHBondContact O-N 3.18Å; K345-H347 VanDerWaalsContact C-N 3.34Å; H347-N349 VanDerWaalsContact C-N 3.28Å; H347-N349 PolarHBondContact O-N 2.92Å; H347-T350 PolarHBondContact O-N 2.99Å; H347-T350 VanDerWaalsContact O-N 3.13Å; H347-T350 PolarHBondContact O-OG1 3.43Å; H347-K351 WeakPolarHBondContact O-CB 3.39Å; H347-K351 PolarHBondContact O-N 3.2Å; H347-H352 AromaticContact CD2-CD2 3.98Å; H347-H352 AromaticContact CE1-CD2 3.6Å; H347-H352 AromaticContact CE1-NE2 3.34Å; H347-H352 PolarHBondContact CE1-NE2 2.84Å; H347-H352 VanDerWaalsContact CE1-NE2 3.34Å; H347-H352 AromaticContact NE2-CD2 3.37Å; H347-H352 PolarHBondContact NE2-CD2 3.3Å; H347-H352 AromaticContact NE2-NE2 3.15Å; H347-H352 PolarHBondContact NE2-NE2 3.24Å; H347-H352 VanDerWaalsContact NE2-NE2 3.15Å
348	L	88.7	Confident	85.3	Confident	45 Å²	45	90.6 Å²	90.6	24%	0.236	44%	0.439	C	S	.	.	I	π-helix	trans	-53.9	-48.7	174.2	-70.8	172.3	0	0	0	110.2	C331 L344 T350 H352 N353	C331-L348 WeakPolarHBondContact SG-CD2 3.39Å; L344-L348 HydrophobicContact CD1-CD1 4.01Å; L344-L348 HydrophobicContact CD1-CD2 4.42Å; L344-L348 HydrophobicContact CD1-CG 3.91Å; L344-L348 HydrophobicContact CG-CD1 3.96Å; L344-L348 HydrophobicContact CG-CG 4.31Å; L344-L348 WeakPolarHBondContact O-CG 3.16Å; L344-L348 PolarHBondContact O-N 2.78Å; L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 3.44Å; L348-H352 HydrophobicContact CD2-CB 4.31Å; L348-H352 CarbonylContact O-C 3.52Å; L348-H352 WeakPolarHBondContact O-CA 3.24Å; L348-H352 VanDerWaalsContact O-CB 3.3Å; L348-H352 WeakPolarHBondContact O-CB 3.48Å; L348-H352 PolarHBondContact O-N 2.92Å; L348-N353 PolarHBondContact O-N 3.32Å
349	N	87.2	Confident	85	Confident	55 Å²	55	93.1 Å²	93.1	29%	0.294	46%	0.459	S	S	.	.	I	π-helix	trans	-64.2	-33.8	178.9	-78.4	-9.2	0	0	0	114.3	K345 H347 Y356	K345-N349 VanDerWaalsContact O-CB 3.31Å; K345-N349 WeakPolarHBondContact O-CB 3.48Å; K345-N349 PolarHBondContact O-N 2.89Å; H347-N349 VanDerWaalsContact C-N 3.28Å; H347-N349 PolarHBondContact O-N 2.92Å; N349-Y356 HydrophobicContact CB-CD1 3.94Å; N349-Y356 HydrophobicContact CB-CD2 3.56Å; N349-Y356 HydrophobicContact CB-CE1 4.04Å; N349-Y356 HydrophobicContact CB-CE2 3.69Å; N349-Y356 HydrophobicContact CB-CG 3.69Å; N349-Y356 WeakPolarHBondContact ND2-CE2 3.35Å; N349-Y356 WeakPolarHBondContact O-CB 3.48Å; N349-Y356 WeakPolarHBondContact O-CD1 3.39Å
350	T	86.2	Confident	85	Confident	82 Å²	82	94 Å²	94	50%	0.503	48%	0.478	S	S	.	.	I	π-helix	trans	-95.6	-21.6	-173.7	50.7	0	0	0	0	114.8	R346 H347 L348 Y356	R346-T350 HydrophobicContact CG-CG2 4.5Å; R346-T350 WeakPolarHBondContact O-CB 3.28Å; R346-T350 WeakPolarHBondContact O-CG2 3.21Å; R346-T350 PolarHBondContact O-N 3.48Å; R346-T350 PolarHBondContact O-OG1 2.78Å; H347-T350 PolarHBondContact O-N 2.99Å; H347-T350 VanDerWaalsContact O-N 3.13Å; H347-T350 PolarHBondContact O-OG1 3.43Å; L348-T350 VanDerWaalsContact C-N 3.35Å; L348-T350 PolarHBondContact O-N 3.44Å; T350-Y356 HydrophobicContact CG2-CE1 4.3Å
351	K	85.6	Confident	84.9	Confident	151 Å²	151	98.4 Å²	98.4	66%	0.657	50%	0.496	S	S	*	.	I	π-helix	trans	-116.1	-27.9	-176.4	-66.9	-63	-173.6	179	0	113.7	H347	H347-K351 WeakPolarHBondContact O-CB 3.39Å; H347-K351 PolarHBondContact O-N 3.2Å
352	H	85.9	Confident	84.7	Confident	44 Å²	44	98.2 Å²	98.2	20%	0.204	50%	0.499	C	S	.	.	I	π-helix	trans	-116.4	-21.9	-170.3	-70.1	-67	0	0	0	113.5	E333 C334 H347 L348 P354	E333-H352 WeakPolarHBondContact CB-CE1 3.22Å; E333-H352 WeakPolarHBondContact CB-ND1 3.41Å; E333-H352 PolarHBondContact O-CE1 3.24Å; E333-H352 WeakPolarHBondContact OE2-CB 3.07Å; E333-H352 IonicContact OE2-CE1 3.88Å; E333-H352 IonicContact OE2-CG 3.17Å; E333-H352 IonicContact OE2-ND1 2.81Å; E333-H352 PolarHBondContact OE2-ND1 3.16Å; C334-H352 PolarHBondContact SG-NE2 2.73Å; C334-H352 VanDerWaalsContact SG-NE2 3.43Å; H347-H352 AromaticContact CD2-CD2 3.98Å; H347-H352 AromaticContact CE1-CD2 3.6Å; H347-H352 AromaticContact CE1-NE2 3.34Å; H347-H352 PolarHBondContact CE1-NE2 2.84Å; H347-H352 VanDerWaalsContact CE1-NE2 3.34Å; H347-H352 AromaticContact NE2-CD2 3.37Å; H347-H352 PolarHBondContact NE2-CD2 3.3Å; H347-H352 AromaticContact NE2-NE2 3.15Å; H347-H352 PolarHBondContact NE2-NE2 3.24Å; H347-H352 VanDerWaalsContact NE2-NE2 3.15Å; L348-H352 HydrophobicContact CD2-CB 4.31Å; L348-H352 CarbonylContact O-C 3.52Å; L348-H352 WeakPolarHBondContact O-CA 3.24Å; L348-H352 VanDerWaalsContact O-CB 3.3Å; L348-H352 WeakPolarHBondContact O-CB 3.48Å; L348-H352 PolarHBondContact O-N 2.92Å; H352-P354 WeakPolarHBondContact O-CD 3.46Å
353	N	85.7	Confident	84.5	Confident	67 Å²	67	95.7 Å²	95.7	36%	0.358	50%	0.495	S	S	.	.			trans	-98.6	95.6	177.5	-172.1	-12	0	0	0	110.3	L348 N355 Y356	L348-N353 PolarHBondContact O-N 3.32Å; N353-N355 PolarHBondContact O-N 3.16Å; N353-N355 PolarHBondContact OD1-N 3.37Å; N353-N355 VanDerWaalsContact OD1-N 3.13Å; N353-Y356 VanDerWaalsContact O-CB 3.3Å; N353-Y356 WeakPolarHBondContact O-CB 3.25Å; N353-Y356 PolarHBondContact O-N 3.1Å; N353-Y356 VanDerWaalsContact O-N 3.12Å; N353-Y356 PolarHBondContact OD1-N 3.3Å
354	P	80.9	Confident	84.4	Confident	122 Å²	122	98.2 Å²	98.2	79%	0.792	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-24	178.5	26	-35.2	0	0	0	112.8	H352 Y356	H352-P354 WeakPolarHBondContact O-CD 3.46Å; P354-Y356 VanDerWaalsContact C-N 3.31Å
355	N	85.3	Confident	84.1	Confident	142 Å²	142	106.4 Å²	106.4	76%	0.759	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	4.7	178.5	-66.5	-34.6	0	0	0	113.1	N353 V357	N353-N355 PolarHBondContact O-N 3.16Å; N353-N355 PolarHBondContact OD1-N 3.37Å; N353-N355 VanDerWaalsContact OD1-N 3.13Å; N355-V357 PolarHBondContact O-N 3.37Å; N355-V357 VanDerWaalsContact O-N 3.08Å
356	Y	83.9	Confident	84	Confident	83 Å²	83	104.9 Å²	104.9	33%	0.325	53%	0.53	S	S	.	.			trans	-74.7	105.6	-178.3	179.6	-107.1	0	0	0	111.7	N349 T350 N353 P354 K358	N349-Y356 HydrophobicContact CB-CD1 3.94Å; N349-Y356 HydrophobicContact CB-CD2 3.56Å; N349-Y356 HydrophobicContact CB-CE1 4.04Å; N349-Y356 HydrophobicContact CB-CE2 3.69Å; N349-Y356 HydrophobicContact CB-CG 3.69Å; N349-Y356 WeakPolarHBondContact ND2-CE2 3.35Å; N349-Y356 WeakPolarHBondContact O-CB 3.48Å; N349-Y356 WeakPolarHBondContact O-CD1 3.39Å; T350-Y356 HydrophobicContact CG2-CE1 4.3Å; N353-Y356 VanDerWaalsContact O-CB 3.3Å; N353-Y356 WeakPolarHBondContact O-CB 3.25Å; N353-Y356 PolarHBondContact O-N 3.1Å; N353-Y356 VanDerWaalsContact O-N 3.12Å; N353-Y356 PolarHBondContact OD1-N 3.3Å; P354-Y356 VanDerWaalsContact C-N 3.31Å; Y356-K358 HydrophobicContact CE1-CB 4.41Å
357	V	83.7	Confident	84	Confident	122 Å²	122	100.8 Å²	100.8	74%	0.739	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-87.5	120.1	167.4	-175.9	0	0	0	0	108.5	N355	N355-V357 PolarHBondContact O-N 3.37Å; N355-V357 VanDerWaalsContact O-N 3.08Å
358	K	80	Confident	84	Confident	165 Å²	165	100.3 Å²	100.3	72%	0.717	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.8	126.9	172.4	-179.1	-177.7	-70.7	172.5	0	108.4	Y356	Y356-K358 HydrophobicContact CE1-CB 4.41Å
359	P	78.1	Confident	83.8	Confident	87 Å²	87	106 Å²	106	57%	0.565	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-58.3	139.8	-179.6	19.7	-29.9	0	0	0	110.7
360	P	80.1	Confident	83.7	Confident	121 Å²	121	111.6 Å²	111.6	79%	0.786	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-60.5	145	180	23.8	-32.3	0	0	0	110.6
361	K	78.2	Confident	83.9	Confident	197 Å²	197	110 Å²	110	86%	0.857	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-60.8	134.3	175.4	-69.7	178.7	-177.2	172.3	0	108.5
362	P	80.3	Confident	83.9	Confident	74 Å²	74	108.8 Å²	108.8	48%	0.481	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-56.3	146.4	174.8	-21.4	30.5	0	0	0	110.6	T376	P362-T376 HydrophobicContact CB-CG2 4.19Å; P362-T376 VanDerWaalsContact O-CG2 3.29Å; P362-T376 WeakPolarHBondContact O-CG2 3.23Å
363	P	82.6	Confident	84	Confident	88 Å²	88	112.5 Å²	112.5	57%	0.571	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-60.2	147.5	175.1	25.1	-33.4	0	0	0	110.6	R365	P363-R365 PolarHBondContact O-N 3.43Å
364	L	84.8	Confident	84.1	Confident	107 Å²	107	110.5 Å²	110.5	56%	0.56	57%	0.565	S	S	*	*			trans	-71	98.8	175.4	-56.8	175.3	0	0	0	108.4	F375 T376	L364-F375 CarbonylContact C-O 3.2Å; L364-T376 HydrophobicContact CD2-CG2 3.78Å
365	R	84.5	Confident	84.5	Confident	190 Å²	190	106.5 Å²	106.5	72%	0.717	54%	0.536	S	S	*	.			trans	-85.4	-21.4	-178.4	-69.3	178.6	-178.2	-114.6	1.2	113.4	P363 F375	P363-R365 PolarHBondContact O-N 3.43Å; R365-F375 PolarHBondContact N-O 2.94Å; R365-F375 VanDerWaalsContact N-O 3.08Å
366	Y	86.8	Confident	84.6	Confident	91 Å²	91	101.4 Å²	101.4	36%	0.357	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.2	-168.6	-59.6	-77	0	0	0	110.2	G374 F375 T376 F377 W378	Y366-G374 CarbonylContact O-C 3.57Å; Y366-F375 PolarHBondContact N-O 3.38Å; Y366-F375 PolarHBondContact O-N 2.89Å; Y366-T376 WeakPolarHBondContact CD2-O 3.49Å; Y366-T376 WeakPolarHBondContact CE2-O 3.22Å; Y366-F377 VanDerWaalsContact CD2-C 3.44Å; Y366-W378 HydrophobicContact CD1-CB 4.16Å; Y366-W378 HydrophobicContact CD2-CB 4.46Å; Y366-W378 VanDerWaalsContact CD2-N 3.32Å; Y366-W378 HydrophobicContact CE1-CB 3.92Å; Y366-W378 HydrophobicContact CE2-CB 4.23Å; Y366-W378 HydrophobicContact CG-CB 4.41Å
367	V	87	Confident	84.8	Confident	71 Å²	71	103.6 Å²	103.6	43%	0.43	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.2	-178.7	-174.8	0	0	0	0	110	E369 D372 K373	V367-E369 PolarHBondContact O-N 3.44Å; V367-D372 HydrophobicContact CG1-CB 4.38Å; V367-K373 WeakPolarHBondContact CA-O 3.28Å
368	C	87.7	Confident	84.9	Confident	2 Å²	2	104.8 Å²	104.8	1%	0.014	51%	0.512	C	S	.	.			trans	-81.4	109.9	171.4	-173.6	0	0	0	0	110.4	R370 C371 D372 K373 F375 L381 H384 H388	C368-R370 PolarHBondContact O-N 2.98Å; C368-C371 PolarHBondContact O-N 3.41Å; C368-C371 VanDerWaalsContact O-N 3.16Å; C368-D372 VanDerWaalsContact O-CA 3.23Å; C368-D372 WeakPolarHBondContact O-CA 3.23Å; C368-D372 PolarHBondContact O-N 3.47Å; C368-K373 HydrophobicContact CB-CB 4.46Å; C368-K373 PolarHBondContact N-O 3.46Å; C368-F375 HydrophobicContact CB-CE2 4.46Å; C368-L381 HydrophobicContact CB-CD1 3.6Å; C368-H384 PolarHBondContact SG-NE2 2.77Å; C368-H384 VanDerWaalsContact SG-NE2 3.43Å; C368-H388 PolarHBondContact SG-NE2 3.5Å; C368-H388 VanDerWaalsContact SG-NE2 3.35Å
369	E	85.8	Confident	85	Confident	165 Å²	165	99 Å²	99	77%	0.771	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-14.9	177.4	-65.2	155.1	-130.2	0	0	114.9	V367 R385	V367-E369 PolarHBondContact O-N 3.44Å; E369-R385 IonicContact OE1-NH2 2.86Å; E369-R385 PolarHBondContact OE1-NH2 3.26Å
370	R	84.6	Confident	85.5	Confident	173 Å²	173	97.3 Å²	97.3	65%	0.653	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-20.3	-178.2	-162.2	171.7	-176.1	175.8	-0.3	114	C368	C368-R370 PolarHBondContact O-N 2.98Å
371	C	90.3	Very high	85.8	Confident	47 Å²	47	91.8 Å²	91.8	32%	0.318	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	15.1	-177.9	74.7	0	0	0	0	113.9	C368 K373 H384	C368-C371 PolarHBondContact O-N 3.41Å; C368-C371 VanDerWaalsContact O-N 3.16Å; C371-K373 PolarHBondContact O-N 2.9Å; C371-K373 VanDerWaalsContact SG-CG 3.6Å; C371-H384 PolarHBondContact SG-NE2 3.23Å
372	D	84.9	Confident	86.2	Confident	126 Å²	126	87.3 Å²	87.3	67%	0.674	43%	0.43	S	S	*	.			trans	51.6	18.5	178.4	-56.6	-44.3	0	0	0	116.8	V367 C368 G374	V367-D372 HydrophobicContact CG1-CB 4.38Å; C368-D372 VanDerWaalsContact O-CA 3.23Å; C368-D372 WeakPolarHBondContact O-CA 3.23Å; C368-D372 PolarHBondContact O-N 3.47Å; D372-G374 PolarHBondContact O-N 3.19Å
373	K	89	Confident	86.3	Confident	123 Å²	123	91.3 Å²	91.3	54%	0.535	44%	0.435	S	S	.	.			trans	-69.4	119.2	174.9	-74.9	-178.9	-175.1	-178.7	0	110	V367 C368 C371 F375	V367-K373 WeakPolarHBondContact CA-O 3.28Å; C368-K373 HydrophobicContact CB-CB 4.46Å; C368-K373 PolarHBondContact N-O 3.46Å; C371-K373 PolarHBondContact O-N 2.9Å; C371-K373 VanDerWaalsContact SG-CG 3.6Å; K373-F375 HydrophobicContact CB-CE2 3.72Å; K373-F375 HydrophobicContact CB-CZ 3.92Å; K373-F375 VanDerWaalsContact O-CD2 3.3Å; K373-F375 WeakPolarHBondContact O-CD2 3.38Å; K373-F375 VanDerWaalsContact O-CE2 3.24Å; K373-F375 WeakPolarHBondContact O-CE2 3.2Å
374	G	87	Confident	86.4	Confident	24 Å²	24	88.1 Å²	88.1	25%	0.247	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.4	174.5	0	0	0	0	0	112.7	Y366 D372	Y366-G374 CarbonylContact O-C 3.57Å; D372-G374 PolarHBondContact O-N 3.19Å
375	F	90.8	Very high	86.6	Confident	39 Å²	39	87.2 Å²	87.2	17%	0.171	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.5	177.4	-60.3	-85.6	0	0	0	110.3	L364 R365 Y366 C368 K373 N380 L381 H384	L364-F375 CarbonylContact C-O 3.2Å; R365-F375 PolarHBondContact N-O 2.94Å; R365-F375 VanDerWaalsContact N-O 3.08Å; Y366-F375 PolarHBondContact N-O 3.38Å; Y366-F375 PolarHBondContact O-N 2.89Å; C368-F375 HydrophobicContact CB-CE2 4.46Å; K373-F375 HydrophobicContact CB-CE2 3.72Å; K373-F375 HydrophobicContact CB-CZ 3.92Å; K373-F375 VanDerWaalsContact O-CD2 3.3Å; K373-F375 WeakPolarHBondContact O-CD2 3.38Å; K373-F375 VanDerWaalsContact O-CE2 3.24Å; K373-F375 WeakPolarHBondContact O-CE2 3.2Å; F375-N380 HydrophobicContact CB-CB 4.15Å; F375-N380 HydrophobicContact CD1-CB 3.66Å; F375-N380 HydrophobicContact CE1-CB 4.46Å; F375-N380 HydrophobicContact CG-CB 4.15Å; F375-L381 HydrophobicContact CB-CB 4.3Å; F375-L381 HydrophobicContact CD2-CB 3.84Å; F375-L381 HydrophobicContact CD2-CD1 3.81Å; F375-L381 HydrophobicContact CD2-CG 4.44Å; F375-L381 HydrophobicContact CE2-CD1 3.96Å; F375-L381 HydrophobicContact CG-CB 4.24Å; F375-H384 HydrophobicContact CE1-CB 3.98Å; F375-H384 HydrophobicContact CE2-CB 3.79Å; F375-H384 AromaticContact CE2-CD2 3.36Å; F375-H384 WeakPolarHBondContact CE2-CD2 3.29Å; F375-H384 AromaticContact CE2-CG 3.61Å; F375-H384 HydrophobicContact CZ-CB 3.35Å; F375-H384 AromaticContact CZ-CD2 3.51Å; F375-H384 AromaticContact CZ-CG 3.25Å; F375-H384 AromaticContact CZ-ND1 3.92Å
376	T	87.4	Confident	86.6	Confident	34 Å²	34	82.7 Å²	82.7	21%	0.209	39%	0.389	C	S	.	.	S	Bend	trans	-74.6	-31.9	176.1	51.6	0	0	0	0	113	P362 L364 Y366	P362-T376 HydrophobicContact CB-CG2 4.19Å; P362-T376 VanDerWaalsContact O-CG2 3.29Å; P362-T376 WeakPolarHBondContact O-CG2 3.23Å; L364-T376 HydrophobicContact CD2-CG2 3.78Å; Y366-T376 WeakPolarHBondContact CD2-O 3.49Å; Y366-T376 WeakPolarHBondContact CE2-O 3.22Å
377	F	87.8	Confident	86.4	Confident	129 Å²	129	81.7 Å²	81.7	57%	0.566	39%	0.393	S	S	*	.	S	Bend	trans	-126.2	140.6	-175.9	-58.4	-72.3	0	0	0	111.7	Y366 G379 N380 L381	Y366-F377 VanDerWaalsContact CD2-C 3.44Å; F377-G379 VanDerWaalsContact C-N 3.26Å; F377-G379 PolarHBondContact O-N 3.39Å; F377-N380 WeakPolarHBondContact O-CB 3.3Å; F377-N380 PolarHBondContact O-N 2.87Å; F377-L381 PolarHBondContact O-N 2.84Å
378	W	84.1	Confident	86.2	Confident	147 Å²	147	79.8 Å²	79.8	56%	0.557	38%	0.379	S	S	*	.	H	α-helix	trans	-57.1	-35.8	179.1	178.5	79.5	0	0	0	113.3	Y366 N380 L381 K382	Y366-W378 HydrophobicContact CD1-CB 4.16Å; Y366-W378 HydrophobicContact CD2-CB 4.46Å; Y366-W378 VanDerWaalsContact CD2-N 3.32Å; Y366-W378 HydrophobicContact CE1-CB 3.92Å; Y366-W378 HydrophobicContact CE2-CB 4.23Å; Y366-W378 HydrophobicContact CG-CB 4.41Å; W378-N380 VanDerWaalsContact C-N 3.28Å; W378-N380 PolarHBondContact O-N 2.83Å; W378-L381 PolarHBondContact O-N 3.29Å; W378-K382 HydrophobicContact CH2-CD 3.75Å; W378-K382 HydrophobicContact CZ2-CD 4.22Å; W378-K382 HydrophobicContact CZ3-CD 4.02Å; W378-K382 WeakPolarHBondContact O-CB 3.33Å; W378-K382 PolarHBondContact O-N 2.91Å
379	G	82.1	Confident	85.4	Confident	43 Å²	43	85.4 Å²	85.4	44%	0.443	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-34.3	177	0	0	0	0	0	113.6	F377 K382 R383	F377-G379 VanDerWaalsContact C-N 3.26Å; F377-G379 PolarHBondContact O-N 3.39Å; G379-K382 PolarHBondContact O-N 3.45Å; G379-R383 WeakPolarHBondContact O-CB 3.5Å; G379-R383 PolarHBondContact O-N 2.76Å
380	N	88.7	Confident	84.3	Confident	52 Å²	52	83.7 Å²	83.7	28%	0.278	40%	0.402	S	S	.	.	H	α-helix	trans	-71.8	-41.4	175	-72.6	-26.5	0	0	0	111.5	F375 F377 W378 K382 R383 H384	F375-N380 HydrophobicContact CB-CB 4.15Å; F375-N380 HydrophobicContact CD1-CB 3.66Å; F375-N380 HydrophobicContact CE1-CB 4.46Å; F375-N380 HydrophobicContact CG-CB 4.15Å; F377-N380 WeakPolarHBondContact O-CB 3.3Å; F377-N380 PolarHBondContact O-N 2.87Å; W378-N380 VanDerWaalsContact C-N 3.28Å; W378-N380 PolarHBondContact O-N 2.83Å; N380-K382 VanDerWaalsContact C-N 3.32Å; N380-K382 PolarHBondContact O-N 3.44Å; N380-R383 PolarHBondContact OD1-NH2 3.34Å; N380-H384 VanDerWaalsContact O-CB 3.22Å; N380-H384 WeakPolarHBondContact O-CB 3.36Å; N380-H384 PolarHBondContact O-N 2.79Å
381	L	88	Confident	82.7	Confident	6 Å²	6	86.2 Å²	86.2	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-41.8	172.3	174.2	62	0	0	0	111.2	C368 F375 F377 W378 H384 R385	C368-L381 HydrophobicContact CB-CD1 3.6Å; F375-L381 HydrophobicContact CB-CB 4.3Å; F375-L381 HydrophobicContact CD2-CB 3.84Å; F375-L381 HydrophobicContact CD2-CD1 3.81Å; F375-L381 HydrophobicContact CD2-CG 4.44Å; F375-L381 HydrophobicContact CE2-CD1 3.96Å; F375-L381 HydrophobicContact CG-CB 4.24Å; F377-L381 PolarHBondContact O-N 2.84Å; W378-L381 PolarHBondContact O-N 3.29Å; L381-H384 CarbonylContact O-C 3.52Å; L381-H384 PolarHBondContact O-N 2.67Å; L381-R385 HydrophobicContact CD1-CG 4.1Å; L381-R385 HydrophobicContact CG-CG 4.38Å; L381-R385 WeakPolarHBondContact O-CB 3.34Å; L381-R385 WeakPolarHBondContact O-CG 3.35Å; L381-R385 PolarHBondContact O-N 3.03Å
382	K	85.6	Confident	80.7	Confident	102 Å²	102	88.3 Å²	88.3	44%	0.443	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-52	178.3	-174.6	-175.2	175.2	-171.5	0	111.6	W378 G379 N380 H384 R385 E386	W378-K382 HydrophobicContact CH2-CD 3.75Å; W378-K382 HydrophobicContact CZ2-CD 4.22Å; W378-K382 HydrophobicContact CZ3-CD 4.02Å; W378-K382 WeakPolarHBondContact O-CB 3.33Å; W378-K382 PolarHBondContact O-N 2.91Å; G379-K382 PolarHBondContact O-N 3.45Å; N380-K382 VanDerWaalsContact C-N 3.32Å; N380-K382 PolarHBondContact O-N 3.44Å; K382-H384 VanDerWaalsContact C-N 3.26Å; K382-H384 PolarHBondContact O-N 3.38Å; K382-R385 WeakPolarHBondContact O-CA 3.44Å; K382-R385 WeakPolarHBondContact O-CB 3.44Å; K382-R385 PolarHBondContact O-N 2.84Å; K382-E386 WeakPolarHBondContact O-CG 3.28Å; K382-E386 PolarHBondContact O-N 3.13Å
383	R	82.5	Confident	78.5	Confident	158 Å²	158	88.4 Å²	88.4	60%	0.596	43%	0.427	S	S	*	.	H	α-helix	trans	-60.2	-36.6	175	178.7	170.7	52.8	125.3	-1.4	112.1	G379 N380 E386 T387	G379-R383 WeakPolarHBondContact O-CB 3.5Å; G379-R383 PolarHBondContact O-N 2.76Å; N380-R383 PolarHBondContact OD1-NH2 3.34Å; R383-E386 WeakPolarHBondContact O-CB 3.42Å; R383-E386 PolarHBondContact O-N 2.85Å; R383-T387 PolarHBondContact O-N 2.73Å
384	H	85.9	Confident	75.9	Confident	22 Å²	22	86.8 Å²	86.8	10%	0.102	45%	0.445	C	S	.	.	H	α-helix	trans	-67.5	-40.2	172.8	171.1	60.9	0	0	0	112.3	C368 C371 F375 N380 L381 K382 E386 T387 H388	C368-H384 PolarHBondContact SG-NE2 2.77Å; C368-H384 VanDerWaalsContact SG-NE2 3.43Å; C371-H384 PolarHBondContact SG-NE2 3.23Å; F375-H384 HydrophobicContact CE1-CB 3.98Å; F375-H384 HydrophobicContact CE2-CB 3.79Å; F375-H384 AromaticContact CE2-CD2 3.36Å; F375-H384 WeakPolarHBondContact CE2-CD2 3.29Å; F375-H384 AromaticContact CE2-CG 3.61Å; F375-H384 HydrophobicContact CZ-CB 3.35Å; F375-H384 AromaticContact CZ-CD2 3.51Å; F375-H384 AromaticContact CZ-CG 3.25Å; F375-H384 AromaticContact CZ-ND1 3.92Å; N380-H384 VanDerWaalsContact O-CB 3.22Å; N380-H384 WeakPolarHBondContact O-CB 3.36Å; N380-H384 PolarHBondContact O-N 2.79Å; L381-H384 CarbonylContact O-C 3.52Å; L381-H384 PolarHBondContact O-N 2.67Å; K382-H384 VanDerWaalsContact C-N 3.26Å; K382-H384 PolarHBondContact O-N 3.38Å; H384-E386 PolarHBondContact O-N 3.45Å; H384-T387 WeakPolarHBondContact O-CB 3.41Å; H384-T387 PolarHBondContact O-N 3Å; H384-T387 PolarHBondContact O-OG1 3.14Å; H384-H388 AromaticContact CD2-NE2 3.99Å; H384-H388 AromaticContact CE1-NE2 3.44Å; H384-H388 PolarHBondContact CE1-NE2 2.74Å; H384-H388 AromaticContact NE2-CD2 3.8Å; H384-H388 AromaticContact NE2-NE2 3.08Å; H384-H388 PolarHBondContact NE2-NE2 3.11Å
385	R	88	Confident	73.3	Confident	87 Å²	87	89.9 Å²	89.9	33%	0.328	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-35.1	174	-76.6	176.5	175.3	-165.6	-4.2	111.5	E369 L381 K382 T387 H388 M389	E369-R385 IonicContact OE1-NH2 2.86Å; E369-R385 PolarHBondContact OE1-NH2 3.26Å; L381-R385 HydrophobicContact CD1-CG 4.1Å; L381-R385 HydrophobicContact CG-CG 4.38Å; L381-R385 WeakPolarHBondContact O-CB 3.34Å; L381-R385 WeakPolarHBondContact O-CG 3.35Å; L381-R385 PolarHBondContact O-N 3.03Å; K382-R385 WeakPolarHBondContact O-CA 3.44Å; K382-R385 WeakPolarHBondContact O-CB 3.44Å; K382-R385 PolarHBondContact O-N 2.84Å; R385-T387 PolarHBondContact O-N 2.69Å; R385-H388 WeakPolarHBondContact O-CB 3.26Å; R385-H388 PolarHBondContact O-N 2.78Å; R385-M389 WeakPolarHBondContact O-CG 3.46Å; R385-M389 PolarHBondContact O-N 2.81Å
386	E	84.4	Confident	70.6	Confident	95 Å²	95	94.6 Å²	94.6	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-32.1	172.8	-67.8	161.7	-171	0	0	112.1	K382 R383 H384 H388 M389 L390	K382-E386 WeakPolarHBondContact O-CG 3.28Å; K382-E386 PolarHBondContact O-N 3.13Å; R383-E386 WeakPolarHBondContact O-CB 3.42Å; R383-E386 PolarHBondContact O-N 2.85Å; H384-E386 PolarHBondContact O-N 3.45Å; E386-H388 VanDerWaalsContact C-N 3.29Å; E386-H388 PolarHBondContact O-N 3.09Å; E386-M389 WeakPolarHBondContact O-CB 3.4Å; E386-M389 PolarHBondContact O-N 3.42Å; E386-M389 VanDerWaalsContact O-N 3.07Å; E386-L390 WeakPolarHBondContact O-CG 3.18Å; E386-L390 PolarHBondContact O-N 3.49Å
387	T	82.8	Confident	68	Low	71 Å²	71	98.1 Å²	98.1	44%	0.436	52%	0.524	S	S	.	.	H	α-helix	trans	-66.6	-27.8	173.7	70.2	0	0	0	0	113.7	R383 H384 R385	R383-T387 PolarHBondContact O-N 2.73Å; H384-T387 WeakPolarHBondContact O-CB 3.41Å; H384-T387 PolarHBondContact O-N 3Å; H384-T387 PolarHBondContact O-OG1 3.14Å; R385-T387 PolarHBondContact O-N 2.69Å
388	H	83.5	Confident	65.2	Low	31 Å²	31	101.3 Å²	101.3	14%	0.144	54%	0.543	C	S	.	.	H	α-helix	trans	-73.8	-30.1	171.5	-67.5	-62.2	0	0	0	112.1	C368 H384 R385 E386 R391	C368-H388 PolarHBondContact SG-NE2 3.5Å; C368-H388 VanDerWaalsContact SG-NE2 3.35Å; H384-H388 AromaticContact CD2-NE2 3.99Å; H384-H388 AromaticContact CE1-NE2 3.44Å; H384-H388 PolarHBondContact CE1-NE2 2.74Å; H384-H388 AromaticContact NE2-CD2 3.8Å; H384-H388 AromaticContact NE2-NE2 3.08Å; H384-H388 PolarHBondContact NE2-NE2 3.11Å; R385-H388 WeakPolarHBondContact O-CB 3.26Å; R385-H388 PolarHBondContact O-N 2.78Å; E386-H388 VanDerWaalsContact C-N 3.29Å; E386-H388 PolarHBondContact O-N 3.09Å; H388-R391 PolarHBondContact O-N 3.5Å
389	M	69.7	Low	62.7	Low	119 Å²	119	99.7 Å²	99.7	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-76.8	-31.7	178.4	-56.2	-58.7	163.5	0	0	111.7	R385 E386 R391 S392	R385-M389 WeakPolarHBondContact O-CG 3.46Å; R385-M389 PolarHBondContact O-N 2.81Å; E386-M389 WeakPolarHBondContact O-CB 3.4Å; E386-M389 PolarHBondContact O-N 3.42Å; E386-M389 VanDerWaalsContact O-N 3.07Å; M389-R391 PolarHBondContact O-N 2.81Å; M389-S392 PolarHBondContact O-N 3.38Å; M389-S392 PolarHBondContact O-OG 3.14Å
390	L	62.7	Low	60.2	Low	129 Å²	129	101.8 Å²	101.8	68%	0.675	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-12.4	173.8	-69.2	170.2	0	0	0	113.4	E386 N393	E386-L390 WeakPolarHBondContact O-CG 3.18Å; E386-L390 PolarHBondContact O-N 3.49Å; L390-N393 VanDerWaalsContact O-O 3.06Å
391	R	51.1	Low	57.2	Low	226 Å²	226	105.5 Å²	105.5	85%	0.853	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-10.3	175.1	-97.8	-176	171.5	-172.5	-3.3	114.4	H388 M389	H388-R391 PolarHBondContact O-N 3.5Å; M389-R391 PolarHBondContact O-N 2.81Å
392	S	49.1	Very low	54.5	Low	91 Å²	91	111.9 Å²	111.9	64%	0.636	63%	0.633	S	S	*	*	S	Bend	trans	-83.2	-16.5	174	62.9	0	0	0	0	113.3	M389	M389-S392 PolarHBondContact O-N 3.38Å; M389-S392 PolarHBondContact O-OG 3.14Å
393	N	37.8	Very low	51.6	Low	128 Å²	128	115.6 Å²	115.6	68%	0.684	65%	0.652	S	S	*	*	S	Bend	trans	-115.3	108.8	170.2	-72.1	-1.9	0	0	0	107.4	L390 A395	L390-N393 VanDerWaalsContact O-O 3.06Å; N393-A395 PolarHBondContact O-N 3.2Å
394	G	34.2	Very low	49	Very low	89 Å²	89	114.9 Å²	114.9	92%	0.918	67%	0.665	S	S	*	*			trans	-51.2	110.3	-178.3	0	0	0	0	0	112.1
395	A	34.2	Very low	46.1	Very low	90 Å²	90	119.6 Å²	119.6	74%	0.744	70%	0.695	S	S	*	*			trans	-145.2	125.4	160.2	0	0	0	0	0	108.2	N393	N393-A395 PolarHBondContact O-N 3.2Å
396	V	34	Very low	43.5	Very low	137 Å²	137	120 Å²	120	83%	0.83	71%	0.71	S	S	*	*			trans	-54.5	146.2	-168.8	177.9	0	0	0	0	112.7
397	P	31.6	Very low	40.8	Very low	109 Å²	109	122.2 Å²	122.2	71%	0.708	72%	0.724	S	S	*	*			trans	-65.4	137.9	-172.9	26.9	-38.1	0	0	0	114	S399	P397-S399 PolarHBondContact O-N 3.43Å
398	M	28.4	Very low	38.1	Very low	196 Å²	196	123.4 Å²	123.4	97%	0.966	74%	0.736	S	S	*	*			trans	-59.8	98.1	166.1	-74.3	-94	-171.7	0	0	110.4
399	S	32.7	Very low	35.3	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-88	141	160.4	-65.2	0	0	0	0	109.6	P397	P397-S399 PolarHBondContact O-N 3.43Å
400	A	28.5	Very low	33.2	Very low	88 Å²	88	129.9 Å²	129.9	73%	0.727	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.3	155.3	-167.7	0	0	0	0	0	115.1	T402	A400-T402 PolarHBondContact O-N 2.86Å
401	P	27.4	Very low	31.3	Very low	129 Å²	129	129.1 Å²	129.1	84%	0.838	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-79.1	121.5	-177.6	31.1	-30.7	0	0	0	111
402	T	30.9	Very low	29.9	Very low	140 Å²	140	126.9 Å²	126.9	86%	0.859	77%	0.774	S	S	*	*			trans	-115.5	128	149.7	31.1	0	0	0	0	108.2	A400	A400-T402 PolarHBondContact O-N 2.86Å
403	E	23.4	Very low	28.7	Very low	180 Å²	180	126.9 Å²	126.9	84%	0.841	78%	0.779	S	S	*	*			trans	-50.7	145	177.6	-55.2	-120.9	125.9	0	0	112.7
404	V	28.6	Very low	28.3	Very low	144 Å²	144	126.1 Å²	126.1	87%	0.873	78%	0.782	S	S	*	*				-175.9	134.2	121.8	156	0	0	0	0	108.1
405	V	25.6	Very low	28	Very low	120 Å²	120	127.3 Å²	127.3	73%	0.727	78%	0.776	S	S	*	*			trans	-93.1	-173.3	178.4	-156	0	0	0	0	108.1
406	P	33.9	Very low	27.8	Very low	97 Å²	97	128.9 Å²	128.9	63%	0.63	78%	0.779	S	S	*	*				-118	169.3	-51.4	25.2	-6.7	0	0	0	112
407	N	27.2	Very low	27.6	Very low	141 Å²	141	128.2 Å²	128.2	75%	0.754	78%	0.777	S	S	*	*				167	134.7	114.5	-95.9	-9.9	0	0	0	112.2
408	S	26.4	Very low	27.2	Very low	96 Å²	96	128.1 Å²	128.1	67%	0.671	78%	0.779	S	S	*	*			trans	38.6	136.3	140	64.6	0	0	0	0	118.7
409	E	23.2	Very low	27	Very low	174 Å²	174	123.7 Å²	123.7	81%	0.813	77%	0.767	S	S	*	*			cis	175.5	165.8	23.2	-127.9	177.6	166.9	0	0	107.1
410	V	26.6	Very low	26.5	Very low	112 Å²	112	123.2 Å²	123.2	68%	0.679	76%	0.764	S	S	*	*			trans	85.1	95.3	146.3	176.4	0	0	0	0	120.6
411	T	21.6	Very low	26.4	Very low	113 Å²	113	124 Å²	124	69%	0.693	76%	0.764	S	S	*	*				61.2	133.4	122.4	66.8	0	0	0	0	126.5
412	M	22	Very low	26	Very low	178 Å²	178	124.1 Å²	124.1	88%	0.877	76%	0.762	S	S	*	*			trans	73.8	115.5	137.1	-69.5	-152.3	-142.6	0	0	123
413	A	24.1	Very low	25.7	Very low	91 Å²	91	122.4 Å²	122.4	75%	0.752	76%	0.757	S	S	*	*				23.8	168.4	127.5	0	0	0	0	0	122.2
414	P	30.6	Very low	25.6	Very low	113 Å²	113	118.4 Å²	118.4	73%	0.734	75%	0.748	S	S	*	*			cis	-133.4	175.9	-17.3	26.3	-2	0	0	0	115.7
415	S	26.9	Very low	25.4	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	74%	0.744	S	S	*	*			trans	28.1	142.7	147.2	-48.5	0	0	0	0	122.7
416	P	29.7	Very low	25.4	Very low	124 Å²	124	116.5 Å²	116.5	81%	0.805	75%	0.747	S	S	*	*				-149.6	173.1	80.2	39.1	-20.6	0	0	0	116.6
417	P	29.6	Very low	24.9	Very low	122 Å²	122	117.1 Å²	117.1	79%	0.792	75%	0.753	S	S	*	*			trans	-107.7	144	171.3	37.3	-26.1	0	0	0	113.3
418	S	25.1	Very low	24.9	Very low	108 Å²	108	115.4 Å²	115.4	76%	0.755	75%	0.753	S	S	*	*			trans	-160.6	106.7	160.7	49.7	0	0	0	0	106.5
419	S	22.9	Very low	25.1	Very low	102 Å²	102	120.4 Å²	120.4	71%	0.713	77%	0.765	S	S	*	*				93	125.9	82.2	66.3	0	0	0	0	112.6
420	S	22.3	Very low	25.1	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	76%	0.764	S	S	*	*			trans	62.8	118.7	145.3	54.1	0	0	0	0	119.4
421	S	26.1	Very low	25.3	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	77%	0.772	S	S	*	*				163.6	92.9	112.5	-63.1	0	0	0	0	107.4
422	T	20.3	Very low	25.6	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	78%	0.775	S	S	*	*				36	115.5	90.2	61.2	0	0	0	0	115.2
423	S	23.6	Very low	25.7	Very low	105 Å²	105	123 Å²	123	73%	0.734	77%	0.773	S	S	*	*				160.8	99.2	125	57	0	0	0	0	107.8
424	S	22.2	Very low	25.7	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	78%	0.781	S	S	*	*				67.3	109.1	90.5	65	0	0	0	0	112.2
425	S	24.1	Very low	25.3	Very low	111 Å²	111	128 Å²	128	78%	0.776	79%	0.789	S	S	*	*				60.6	114.9	89.5	-47.3	0	0	0	0	112.7
426	S	25	Very low	25.3	Very low	113 Å²	113	127 Å²	127	79%	0.79	79%	0.788	S	S	*	*			trans	-163.6	114.8	145.3	-75.6	0	0	0	0	105.8
427	S	24.5	Very low	25.2	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	78%	0.784	S	S	*	*				58.4	137.6	73.9	-59.3	0	0	0	0	110.4
428	S	26	Very low	25	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	78%	0.783	S	S	*	*			cis	177	143.3	-3.5	-88	0	0	0	0	102.1
429	Q	30.4	Very low	25.1	Very low	200 Å²	200	127.5 Å²	127.5	94%	0.935	79%	0.789	S	S	*	*			trans	-141.5	124.5	157.6	-106.4	177.8	6.3	0	0	111.3
430	L	24.2	Very low	25.3	Very low	152 Å²	152	131 Å²	131	80%	0.796	79%	0.794	S	S	*	*			trans	-70.7	151.8	172.3	-80.9	82.2	0	0	0	111.5
431	M	30.3	Very low	25.5	Very low	171 Å²	171	131.7 Å²	131.7	84%	0.842	80%	0.799	S	S	*	*			trans	-153.5	128.6	131.6	-84	-53.2	166.7	0	0	111.7
432	K	28.5	Very low	25.5	Very low	176 Å²	176	135.5 Å²	135.5	77%	0.765	80%	0.802	S	S	*	*			trans	16.8	115.9	151.4	-69.5	163.9	176.5	176.1	0	118.8
433	T	23.2	Very low	25.8	Very low	133 Å²	133	132.4 Å²	132.4	82%	0.816	79%	0.79	S	S	*	*				58.3	93.8	76.7	66.8	0	0	0	0	115.8
434	E	25.3	Very low	25.8	Very low	200 Å²	200	134.5 Å²	134.5	94%	0.935	79%	0.793	S	S	*	*			trans	-135	140.8	150	-71.7	-162.6	143.7	0	0	109.5
435	A	22.2	Very low	26.1	Very low	108 Å²	108	137 Å²	137	89%	0.893	79%	0.789	S	S	*	*			trans	-82.1	131.5	-168.4	0	0	0	0	0	112.5
436	A	25.7	Very low	26.2	Very low	94 Å²	94	138.7 Å²	138.7	78%	0.777	79%	0.789	S	S	*	*			trans	-151.6	154.7	166.5	0	0	0	0	0	109.4
437	P	28.6	Very low	26.2	Very low	112 Å²	112	140.2 Å²	140.2	73%	0.727	79%	0.788	S	S	*	*				-94.7	152.5	-126.7	34.2	-36.7	0	0	0	116
438	S	24.6	Very low	26.4	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	78%	0.78	S	S	*	*			trans	31.5	87	152.1	56.7	0	0	0	0	116.6	E440	S438-E440 PolarHBondContact O-N 2.89Å
439	T	26.5	Very low	26.8	Very low	141 Å²	141	140 Å²	140	87%	0.865	78%	0.778	S	S	*	*			trans	-71.3	107.9	164.4	43.4	0	0	0	0	109.8	S441	T439-S441 PolarHBondContact O-N 2.87Å; T439-S441 VanDerWaalsContact O-N 3.16Å
440	E	27.7	Very low	26.8	Very low	175 Å²	175	134.7 Å²	134.7	82%	0.818	76%	0.763	S	S	*	*			trans	-56.5	120.3	167.3	-67.3	-168	141.9	0	0	109.3	S438 F442	S438-E440 PolarHBondContact O-N 2.89Å; E440-F442 PolarHBondContact O-N 3.48Å
441	S	27.2	Very low	27.1	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	76%	0.76	S	S	*	*			trans	-54.1	108.8	177.4	53.9	0	0	0	0	110.5	T439 A443	T439-S441 PolarHBondContact O-N 2.87Å; T439-S441 VanDerWaalsContact O-N 3.16Å; S441-A443 PolarHBondContact O-N 2.86Å
442	F	25.6	Very low	27	Very low	186 Å²	186	130.6 Å²	130.6	82%	0.816	75%	0.754	S	S	*	*			trans	-64.5	94.1	172.9	-86.7	-95.4	0	0	0	110.1	E440 N444	E440-F442 PolarHBondContact O-N 3.48Å; F442-N444 PolarHBondContact O-N 3.43Å; F442-N444 VanDerWaalsContact O-N 3.17Å
443	A	26.7	Very low	27	Very low	65 Å²	65	126.2 Å²	126.2	54%	0.537	75%	0.751	S	S	.	*			trans	-67.4	108.7	157.6	0	0	0	0	0	107.8	S441 Y445	S441-A443 PolarHBondContact O-N 2.86Å; A443-Y445 VanDerWaalsContact C-N 3.31Å; A443-Y445 PolarHBondContact O-N 3.19Å
444	N	23.7	Very low	27.3	Very low	149 Å²	149	127 Å²	127	80%	0.797	75%	0.748	S	S	*	*			trans	-54.9	94.2	167.9	-77.3	-56.2	0	0	0	109.1	F442 D446	F442-N444 PolarHBondContact O-N 3.43Å; F442-N444 VanDerWaalsContact O-N 3.17Å; N444-D446 PolarHBondContact O-N 2.87Å
445	Y	27.6	Very low	27.3	Very low	149 Å²	149	122.3 Å²	122.3	58%	0.584	73%	0.734	S	S	*	*			trans	-82.2	98.1	164.7	-116	-94.2	0	0	0	106.7	A443 D447	A443-Y445 VanDerWaalsContact C-N 3.31Å; A443-Y445 PolarHBondContact O-N 3.19Å; Y445-D447 PolarHBondContact O-N 2.89Å
446	D	25.9	Very low	27.5	Very low	146 Å²	146	123.4 Å²	123.4	78%	0.781	73%	0.729	S	S	*	*			trans	-62.6	81.6	163.3	-80.5	-59.3	0	0	0	109.1	N444 N448	N444-D446 PolarHBondContact O-N 2.87Å; D446-N448 PolarHBondContact O-N 3.45Å
447	D	26.5	Very low	27.6	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	73%	0.726	S	S	*	*			trans	-79.9	54.2	163	-146.5	-4.9	0	0	0	108.3	Y445 S449	Y445-D447 PolarHBondContact O-N 2.89Å; D447-S449 VanDerWaalsContact C-N 3.34Å
448	N	26.8	Very low	27.5	Very low	112 Å²	112	123.2 Å²	123.2	60%	0.599	73%	0.731	S	S	*	*			trans	-101	62.4	166.9	-165	43.8	0	0	0	108.1	D446 S450	D446-N448 PolarHBondContact O-N 3.45Å; N448-S450 PolarHBondContact O-N 2.85Å
449	S	34.3	Very low	27.8	Very low	97 Å²	97	124.1 Å²	124.1	68%	0.678	73%	0.732	S	S	*	*			trans	-64	91.2	161	-176.7	0	0	0	0	108.1	D447	D447-S449 VanDerWaalsContact C-N 3.34Å
450	S	31.8	Very low	27.7	Very low	89 Å²	89	120.9 Å²	120.9	62%	0.622	73%	0.727	S	S	*	*			trans	34.5	95.2	147.5	-46.9	0	0	0	0	117	N448	N448-S450 PolarHBondContact O-N 2.85Å
451	T	29.5	Very low	27.8	Very low	119 Å²	119	119.1 Å²	119.1	73%	0.73	73%	0.728	S	S	*	*			trans	-109.5	66.8	138.2	45.9	0	0	0	0	108.5	A453	T451-A453 VanDerWaalsContact C-N 3.25Å; T451-A453 PolarHBondContact O-N 3.42Å; T451-A453 VanDerWaalsContact O-N 3.16Å
452	T	29.3	Very low	27.7	Very low	119 Å²	119	119.8 Å²	119.8	73%	0.73	73%	0.726	S	S	*	*			trans	-73	92.8	152.2	37.8	0	0	0	0	106	I454	T452-I454 PolarHBondContact O-N 3.25Å; T452-I454 VanDerWaalsContact O-N 3.1Å
453	A	28.1	Very low	27.8	Very low	84 Å²	84	119.3 Å²	119.3	69%	0.694	73%	0.727	S	S	*	*			trans	-62.7	108.9	163	0	0	0	0	0	106.5	T451 T455	T451-A453 VanDerWaalsContact C-N 3.25Å; T451-A453 PolarHBondContact O-N 3.42Å; T451-A453 VanDerWaalsContact O-N 3.16Å; A453-T455 VanDerWaalsContact C-N 3.31Å; A453-T455 PolarHBondContact O-N 2.82Å
454	I	28.6	Very low	28.2	Very low	149 Å²	149	123.8 Å²	123.8	76%	0.764	74%	0.742	S	S	*	*			trans	-66.7	99.2	165.5	-54.5	172.8	0	0	0	104.6	T452 T456	T452-I454 PolarHBondContact O-N 3.25Å; T452-I454 VanDerWaalsContact O-N 3.1Å; I454-T456 HydrophobicContact CG2-CG2 4.16Å; I454-T456 PolarHBondContact O-N 3.5Å
455	T	26.3	Very low	28.6	Very low	102 Å²	102	120 Å²	120	63%	0.626	74%	0.738	S	S	*	*			trans	-78.3	97.6	167.3	47.7	0	0	0	0	106.7	A453 S457	A453-T455 VanDerWaalsContact C-N 3.31Å; A453-T455 PolarHBondContact O-N 2.82Å; T455-S457 PolarHBondContact O-N 2.94Å; T455-S457 VanDerWaalsContact O-N 3.17Å
456	T	25.9	Very low	28.8	Very low	130 Å²	130	121.1 Å²	121.1	80%	0.798	75%	0.748	S	S	*	*			trans	-71.4	98.4	166.1	41.6	0	0	0	0	108.2	I454	I454-T456 HydrophobicContact CG2-CG2 4.16Å; I454-T456 PolarHBondContact O-N 3.5Å
457	S	27.2	Very low	29	Very low	102 Å²	102	120.6 Å²	120.6	71%	0.713	75%	0.75	S	S	*	*			trans	-89.6	99.3	163.7	45.8	0	0	0	0	107.8	T455 T459	T455-S457 PolarHBondContact O-N 2.94Å; T455-S457 VanDerWaalsContact O-N 3.17Å; S457-T459 PolarHBondContact O-N 2.91Å
458	A	26.6	Very low	29.2	Very low	100 Å²	100	121.4 Å²	121.4	83%	0.826	75%	0.753	S	S	*	*			trans	-75.8	111.4	169.9	0	0	0	0	0	108.6
459	T	31	Very low	29.2	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	77%	0.766	S	S	*	*			trans	-110.3	95.9	164.2	50.4	0	0	0	0	107	S457	S457-T459 PolarHBondContact O-N 2.91Å
460	G	25.3	Very low	29	Very low	74 Å²	74	124.4 Å²	124.4	76%	0.763	77%	0.769	S	S	*	*			trans	-83.4	126.6	168.2	0	0	0	0	0	108.9
461	V	28.9	Very low	28.8	Very low	138 Å²	138	128.2 Å²	128.2	84%	0.836	78%	0.782	S	S	*	*			trans	-110.4	128.8	164.9	-174.4	0	0	0	0	106.1
462	V	26.6	Very low	28.8	Very low	131 Å²	131	128 Å²	128	79%	0.794	78%	0.781	S	S	*	*			trans	-102.1	111.2	-172.6	-168.7	0	0	0	0	107.1
463	E	27.9	Very low	28.8	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.822	78%	0.781	S	S	*	*			trans	-134.6	125.4	157.5	-83.1	-167.6	143.6	0	0	108.2
464	D	34.6	Very low	29	Very low	159 Å²	159	130 Å²	130	85%	0.85	79%	0.786	S	S	*	*	S	Bend	trans	49.6	59	173.2	-59.9	-24.8	0	0	0	118	H466	D464-H466 PolarHBondContact O-N 3.46Å; D464-H466 VanDerWaalsContact O-N 3.12Å
465	G	31.8	Very low	29.2	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	79%	0.786	S	S	*	*	S	Bend	trans	82.4	-6.5	139.9	0	0	0	0	0	119
466	H	32.2	Very low	29.5	Very low	174 Å²	174	131.2 Å²	131.2	81%	0.806	79%	0.794	S	S	*	*			trans	-130.1	121.2	176.5	-80.1	-67	0	0	0	114.1	D464 L468	D464-H466 PolarHBondContact O-N 3.46Å; D464-H466 VanDerWaalsContact O-N 3.12Å; H466-L468 PolarHBondContact O-N 3.29Å
467	V	29.9	Very low	29.5	Very low	135 Å²	135	128.9 Å²	128.9	82%	0.818	79%	0.789	S	S	*	*			trans	-81.3	102.1	177.3	-179.8	0	0	0	0	109.5
468	L	30.3	Very low	29.7	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	79%	0.794	S	S	*	*			trans	-103.3	106.8	169.6	-80.1	171.3	0	0	0	110.9	H466 S470	H466-L468 PolarHBondContact O-N 3.29Å; L468-S470 PolarHBondContact O-N 2.74Å
469	L	27.1	Very low	29.7	Very low	164 Å²	164	133.9 Å²	133.9	86%	0.859	79%	0.793	S	S	*	*			trans	-75.4	95.1	170.5	-74.5	160.4	0	0	0	109.3
470	S	29.2	Very low	29.5	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	79%	0.791	S	S	*	*			trans	-92.1	111.6	168.6	52.5	0	0	0	0	110.5	L468	L468-S470 PolarHBondContact O-N 2.74Å
471	L	27.6	Very low	29.6	Very low	170 Å²	170	134.2 Å²	134.2	89%	0.89	79%	0.791	S	S	*	*			trans	-83.5	104.8	171.4	-69.9	162.6	0	0	0	108.2
472	T	30.9	Very low	29.5	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	79%	0.79	S	S	*	*			trans	-120.6	118.4	162.3	56.5	0	0	0	0	110.2	T474	T472-T474 PolarHBondContact O-N 3.15Å
473	P	28.9	Very low	29.3	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	80%	0.796	S	S	*	*			trans	-80.1	108.5	178.1	29.5	-30.1	0	0	0	109.8	V475	P473-V475 PolarHBondContact O-N 2.96Å; P473-V475 VanDerWaalsContact O-N 3.15Å
474	T	31.6	Very low	29.2	Very low	129 Å²	129	128.5 Å²	128.5	79%	0.791	79%	0.788	S	S	*	*			trans	-77	98.5	167.4	43.4	0	0	0	0	109.4	T472 N476	T472-T474 PolarHBondContact O-N 3.15Å; T474-N476 PolarHBondContact O-N 2.87Å
475	V	32.9	Very low	28.7	Very low	125 Å²	125	126.3 Å²	126.3	76%	0.758	79%	0.785	S	S	*	*			trans	-72.8	101.2	170.6	-178.4	0	0	0	0	107.9	P473 A477	P473-V475 PolarHBondContact O-N 2.96Å; P473-V475 VanDerWaalsContact O-N 3.15Å; V475-A477 VanDerWaalsContact C-N 3.27Å; V475-A477 PolarHBondContact O-N 2.78Å
476	N	32.9	Very low	28.4	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	80%	0.797	S	S	*	*			trans	-69.2	90.7	163.7	-87.7	-26.7	0	0	0	108.5	T474 V478	T474-N476 PolarHBondContact O-N 2.87Å; N476-V478 PolarHBondContact O-N 3.35Å
477	A	26.8	Very low	27.9	Very low	82 Å²	82	134 Å²	134	68%	0.678	80%	0.797	S	S	*	*			trans	-66.7	94.1	168.1	0	0	0	0	0	108.9	V475 Q479	V475-A477 VanDerWaalsContact C-N 3.27Å; V475-A477 PolarHBondContact O-N 2.78Å; A477-Q479 PolarHBondContact O-N 3.07Å; A477-Q479 VanDerWaalsContact O-N 3.16Å
478	V	31.3	Very low	27.7	Very low	135 Å²	135	135.1 Å²	135.1	82%	0.818	80%	0.798	S	S	*	*			trans	-74.6	101	164.2	176.7	0	0	0	0	106.8	N476	N476-V478 PolarHBondContact O-N 3.35Å
479	Q	25.3	Very low	27.3	Very low	172 Å²	172	130.9 Å²	130.9	80%	0.804	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.3	135.4	169.4	-72.5	-131.3	-43.1	0	0	110.3	A477	A477-Q479 PolarHBondContact O-N 3.07Å; A477-Q479 VanDerWaalsContact O-N 3.16Å
480	P	27	Very low	27.2	Very low	118 Å²	118	127.8 Å²	127.8	77%	0.766	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.4	126.3	175.6	29.1	-29.9	0	0	0	110.6
481	A	27	Very low	27	Very low	92 Å²	92	131.6 Å²	131.6	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.5	140.4	173.1	0	0	0	0	0	110.9
482	P	27.3	Very low	27.5	Very low	126 Å²	126	128.2 Å²	128.2	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-85.5	142.4	-170.2	33.2	-33.4	0	0	0	112.8
483	C	22.5	Very low	27.3	Very low	135 Å²	135	132 Å²	132	91%	0.912	80%	0.796	S	S	*	*			trans	-86.2	112.1	170.3	-60.2	0	0	0	0	109.9
484	G	25.5	Very low	27.1	Very low	63 Å²	63	132.4 Å²	132.4	65%	0.649	80%	0.801	S	S	*	*			trans	-138.8	112.9	157.7	0	0	0	0	0	106.7
485	S	23.9	Very low	26.8	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	80%	0.804	S	S	*	*				60.5	86.6	75.1	-56.3	0	0	0	0	112.2
486	F	25.7	Very low	26.3	Very low	221 Å²	221	128.9 Å²	128.9	97%	0.969	81%	0.806	S	S	*	*			trans	-142.2	148.4	153.5	-100.7	-83.1	0	0	0	110.3
487	F	23	Very low	26	Very low	183 Å²	183	129 Å²	129	80%	0.803	81%	0.812	S	S	*	*			trans	-118.8	156.8	-148.7	-124.1	-79.1	0	0	0	110.5
488	L	24.4	Very low	25.7	Very low	159 Å²	159	132.1 Å²	132.1	83%	0.832	82%	0.817	S	S	*	*			trans	75.5	133.9	143.6	-92.7	147.7	0	0	0	124.7
489	G	21.9	Very low	25.4	Very low	74 Å²	74	132.3 Å²	132.3	76%	0.763	81%	0.812	S	S	*	*			trans	108.4	131.7	144.4	0	0	0	0	0	115.3
490	A	26.1	Very low	25.6	Very low	98 Å²	98	128.5 Å²	128.5	81%	0.81	80%	0.802	S	S	*	*			cis	-161.7	133.7	9.5	0	0	0	0	0	107.7
491	Q	23.8	Very low	25.4	Very low	188 Å²	188	130.2 Å²	130.2	88%	0.879	80%	0.802	S	S	*	*				63.9	147.4	98.1	-76	-75.7	-49.7	0	0	118.5
492	P	38.5	Very low	25.3	Very low	98 Å²	98	133.6 Å²	133.6	64%	0.636	81%	0.806	S	S	*	*			trans	-114.6	172.4	-143.4	43.3	-35.7	0	0	0	114.7
493	Q	27.2	Very low	25.2	Very low	196 Å²	196	131 Å²	131	92%	0.916	80%	0.801	S	S	*	*			trans	-138.5	137.2	158.9	-68.8	-168.2	5	0	0	112.9
494	S	24.2	Very low	25.2	Very low	122 Å²	122	134.3 Å²	134.3	85%	0.853	80%	0.8	S	S	*	*			trans	-84	153.7	179	40.7	0	0	0	0	113
495	G	26.3	Very low	25.5	Very low	84 Å²	84	138.4 Å²	138.4	87%	0.866	81%	0.812	S	S	*	*			trans	173.4	98.5	166.8	0	0	0	0	0	113.1
496	A	22.5	Very low	25.4	Very low	97 Å²	97	136.6 Å²	136.6	80%	0.802	80%	0.804	S	S	*	*			trans	-94.9	134	174.9	0	0	0	0	0	110.7
497	V	26.4	Very low	25.6	Very low	154 Å²	154	133.9 Å²	133.9	93%	0.933	80%	0.8	S	S	*	*			trans	-143.8	148.8	151.8	179	0	0	0	0	109
498	L	20.8	Very low	26.3	Very low	147 Å²	147	130.2 Å²	130.2	77%	0.77	80%	0.795	S	S	*	*			trans	-114.3	164.2	-152.8	-111.2	158.7	0	0	0	111.3
499	L	24.8	Very low	26.6	Very low	139 Å²	139	128.3 Å²	128.3	73%	0.728	80%	0.795	S	S	*	*			trans	77.5	158.9	159.4	-87	87.1	0	0	0	118.8
500	P	29.9	Very low	27.1	Very low	91 Å²	91	130.5 Å²	130.5	59%	0.591	80%	0.798	S	S	*	*			cis	-145.1	-174.8	-47.6	40.7	-22.5	0	0	0	114.3
501	M	22.1	Very low	27.9	Very low	154 Å²	154	131.8 Å²	131.8	76%	0.759	80%	0.798	S	S	*	*			trans	86.8	118.7	138.3	-76.5	-26.9	163.9	0	0	123.2
502	I	25	Very low	28.1	Very low	164 Å²	164	126.6 Å²	126.6	84%	0.841	80%	0.795	S	S	*	*			trans	74.6	131.4	137	-49.5	157.1	0	0	0	116.4
503	G	24.2	Very low	28	Very low	70 Å²	70	126.9 Å²	126.9	72%	0.722	81%	0.806	S	S	*	*			cis	-178.7	168.4	8.2	0	0	0	0	0	112.1
504	K	23.3	Very low	28.1	Very low	205 Å²	205	123.1 Å²	123.1	89%	0.891	80%	0.801	S	S	*	*			trans	-28.2	141.7	171.6	-73.4	162.9	166.7	176.1	0	117.5
505	V	30.9	Very low	28.7	Very low	149 Å²	149	126.3 Å²	126.3	90%	0.903	80%	0.802	S	S	*	*				-147	122.5	118.6	-179	0	0	0	0	108.8
506	A	22.2	Very low	28.9	Very low	76 Å²	76	126.4 Å²	126.4	63%	0.628	80%	0.795	S	S	*	*			trans	-100.3	143.6	157.8	0	0	0	0	0	107.1
507	D	29.5	Very low	29.7	Very low	163 Å²	163	128.4 Å²	128.4	87%	0.872	80%	0.797	S	S	*	*			trans	176.8	161.3	130.2	-96	-23.5	0	0	0	113.3
508	P	38.4	Very low	29.7	Very low	107 Å²	107	126.9 Å²	126.9	70%	0.695	79%	0.793	S	S	*	*			trans	-109.7	168	-159.2	40.6	-31.9	0	0	0	114.3
509	S	31.3	Very low	30.8	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	83%	0.831	S	S	*	*			trans	-156.7	113.8	160.4	-61.2	0	0	0	0	108.4
510	S	31.8	Very low	31.1	Very low	120 Å²	120	126.6 Å²	126.6	84%	0.839	84%	0.836	S	S	*	*				90.2	156.5	72	-105.7	0	0	0	0	114.1
511	P	43.1	Very low	31.2	Very low	125 Å²	125	128.4 Å²	128.4	81%	0.812	85%	0.849	S	S	*	*				-133	-174.1	-110.7	36.2	-15.5	0	0	0	115.3
512	G	27	Very low	31.7	Very low	78 Å²	78	127 Å²	127	80%	0.804	85%	0.854	S	S	*	*			trans	114.9	122.4	144.3	0	0	0	0	0	118.2
513	A	36.2	Very low	32.1	Very low	105 Å²	105	124.8 Å²	124.8	87%	0.868	86%	0.855	S	S	*	*			trans	-168.1	97.9	141	0	0	0	0	0	110
514	S	30.6	Very low	32.6	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	86%	0.863	S	S	*	*			trans	-79.8	136.6	166.6	45.4	0	0	0	0	110.8
515	H	37.1	Very low	33.2	Very low	188 Å²	188	123.1 Å²	123.1	87%	0.87	86%	0.862	S	S	*	*			trans	-120.2	110.1	160.2	-108.2	-77.1	0	0	0	108.6
516	A	30.7	Very low	33.3	Very low	86 Å²	86	121.3 Å²	121.3	71%	0.711	86%	0.859	S	S	*	*			trans	-92.9	137.6	165.5	0	0	0	0	0	108.6
517	V	38.3	Very low	34.2	Very low	140 Å²	140	124.8 Å²	124.8	85%	0.848	88%	0.876	S	S	*	*			trans	-130.6	112.2	158.5	175.3	0	0	0	0	105.6
518	S	27.1	Very low	34.6	Very low	121 Å²	121	121.6 Å²	121.6	85%	0.846	88%	0.877	S	S	*	*			trans	-103.8	136.8	167.1	-59.7	0	0	0	0	107.8
519	G	43.5	Very low	34.2	Very low	153 Å²	153	122.9 Å²	122.9	100%	1.577	89%	0.893	S	S	*	*			trans	-172.4	0	174.3	0	0	0	0	0	107.4

Retrieved 519 of 519 residues in 404.8 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).