A0A5K4FBV6_SCHMA Loading...

TNFR

AlphaFold DB , UniProt , Accession A0A5K4FBV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50	Low	55	Low	196 Å²	196	150 Å²	150	97%	0.966	70%	0.703	S	S	*	*				0	-77.9	0	-62.7	-41.3	-154.2	0	0	113.5	R3 I4 Y5	M1-R3 PolarHBondContact O-N 3.39Å; M1-R3 VanDerWaalsContact O-N 3.12Å; M1-I4 WeakPolarHBondContact O-CA 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 2.97Å; M1-Y5 PolarHBondContact O-N 3.45Å; M1-Y5 VanDerWaalsContact O-N 3.13Å
2	H	53.6	Low	54.5	Low	154 Å²	154	149.1 Å²	149.1	71%	0.713	71%	0.707	S	S	*	*	H	α-helix	trans	-53.6	-40.1	-168.6	-158	-94.1	0	0	0	115.8	I4 Y5 Q6	H2-I4 PolarHBondContact O-N 3.2Å; H2-Y5 WeakPolarHBondContact O-CB 3.48Å; H2-Y5 PolarHBondContact O-N 3.15Å; H2-Q6 PolarHBondContact O-N 3.49Å
3	R	55.6	Low	53.5	Low	224 Å²	224	144.3 Å²	144.3	85%	0.845	71%	0.707	S	S	*	*	H	α-helix	trans	-68.9	-28.1	175.1	-73.8	-169.2	176.1	-154.3	-0.6	114.6	M1 F7	M1-R3 PolarHBondContact O-N 3.39Å; M1-R3 VanDerWaalsContact O-N 3.12Å; R3-F7 PolarHBondContact O-N 2.89Å
4	I	61.3	Low	52.8	Low	113 Å²	113	146.6 Å²	146.6	58%	0.579	72%	0.715	S	S	*	*	H	α-helix	trans	-72.7	-38.2	174.5	-59.8	172.7	0	0	0	109.3	M1 H2 Q6 F7 V8	M1-I4 WeakPolarHBondContact O-CA 3.31Å; M1-I4 WeakPolarHBondContact O-CB 3.39Å; M1-I4 PolarHBondContact O-N 2.97Å; H2-I4 PolarHBondContact O-N 3.2Å; I4-Q6 PolarHBondContact O-N 3.46Å; I4-F7 PolarHBondContact O-N 3.15Å; I4-V8 PolarHBondContact O-N 3.09Å; I4-V8 VanDerWaalsContact O-N 3.12Å
5	Y	63.5	Low	52	Low	169 Å²	169	144.2 Å²	144.2	66%	0.663	71%	0.713	S	S	*	*	H	α-helix	trans	-61.5	-41.6	177.9	-150.3	-90.2	0	0	0	112.4	M1 H2 H9	M1-Y5 PolarHBondContact O-N 3.45Å; M1-Y5 VanDerWaalsContact O-N 3.13Å; H2-Y5 WeakPolarHBondContact O-CB 3.48Å; H2-Y5 PolarHBondContact O-N 3.15Å; Y5-H9 PolarHBondContact O-N 3.48Å
6	Q	60.4	Low	51.4	Low	137 Å²	137	146.8 Å²	146.8	64%	0.64	72%	0.719	S	S	*	*	H	α-helix	trans	-66	-38	172.9	-95.7	-170.6	-28.6	0	0	113.3	H2 I4 V8 H9 S10	H2-Q6 PolarHBondContact O-N 3.49Å; I4-Q6 PolarHBondContact O-N 3.46Å; Q6-V8 VanDerWaalsContact C-N 3.34Å; Q6-V8 PolarHBondContact O-N 3.37Å; Q6-H9 PolarHBondContact O-N 2.94Å; Q6-S10 PolarHBondContact O-N 3.45Å; Q6-S10 VanDerWaalsContact O-N 3.16Å
7	F	56.4	Low	51.1	Low	160 Å²	160	148.9 Å²	148.9	70%	0.702	73%	0.726	S	S	*	*	H	α-helix	trans	-66.1	-37.1	-179.1	-154.4	-92.2	0	0	0	112.2	R3 I4	R3-F7 PolarHBondContact O-N 2.89Å; I4-F7 PolarHBondContact O-N 3.15Å
8	V	57	Low	51.1	Low	102 Å²	102	145.9 Å²	145.9	62%	0.618	72%	0.718	S	S	*	*	H	α-helix	trans	-71.5	-35	175.5	176.5	0	0	0	0	112	I4 Q6	I4-V8 PolarHBondContact O-N 3.09Å; I4-V8 VanDerWaalsContact O-N 3.12Å; Q6-V8 VanDerWaalsContact C-N 3.34Å; Q6-V8 PolarHBondContact O-N 3.37Å
9	H	51.6	Low	50.9	Low	118 Å²	118	144.8 Å²	144.8	55%	0.546	71%	0.714	S	S	.	*	H	α-helix	trans	-77.6	-18.2	-179.3	-120.7	-67	0	0	0	114.5	Y5 Q6 F11	Y5-H9 PolarHBondContact O-N 3.48Å; Q6-H9 PolarHBondContact O-N 2.94Å; H9-F11 VanDerWaalsContact C-N 3.27Å; H9-F11 PolarHBondContact O-N 3.47Å
10	S	50.2	Low	50.9	Low	95 Å²	95	144.1 Å²	144.1	66%	0.664	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-9.3	-179.1	-166.6	0	0	0	0	114.4	Q6	Q6-S10 PolarHBondContact O-N 3.45Å; Q6-S10 VanDerWaalsContact O-N 3.16Å
11	F	45.9	Very low	50.6	Low	182 Å²	182	142 Å²	142	80%	0.798	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-4.8	-178	-111.4	-87.7	0	0	0	114.3	H9 A13	H9-F11 VanDerWaalsContact C-N 3.27Å; H9-F11 PolarHBondContact O-N 3.47Å; F11-A13 PolarHBondContact O-N 3.45Å
12	D	48.3	Very low	50.7	Low	139 Å²	139	138.6 Å²	138.6	74%	0.743	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	22	-167.6	-158.2	28.8	0	0	0	114.2
13	A	41.3	Very low	50.8	Low	87 Å²	87	137.8 Å²	137.8	72%	0.719	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-2.9	-166.7	0	0	0	0	0	115.9	F11	F11-A13 PolarHBondContact O-N 3.45Å
14	H	43.9	Very low	51	Low	176 Å²	176	133 Å²	133	82%	0.815	69%	0.687	S	S	*	*	S	Bend	trans	-143.5	141.8	179.5	-125.6	-101.8	0	0	0	114
15	T	41.1	Very low	51	Low	111 Å²	111	130 Å²	130	68%	0.681	68%	0.676	S	S	*	*			trans	77.5	105	169.6	-37.6	0	0	0	0	116.7	H17	T15-H17 PolarHBondContact O-N 3.12Å
16	K	42.4	Very low	51.5	Low	186 Å²	186	128.9 Å²	128.9	81%	0.809	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	14.4	-161.8	-123.1	176.1	-174.6	176.5	0	117
17	H	46.9	Very low	52.4	Low	183 Å²	183	126 Å²	126	85%	0.847	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-0.6	-168.2	-101.1	-83.4	0	0	0	116.9	T15	T15-H17 PolarHBondContact O-N 3.12Å
18	T	49.9	Very low	53.2	Low	94 Å²	94	125.4 Å²	125.4	58%	0.577	66%	0.663	S	S	*	*			trans	-109	18.8	-169.5	-25.4	0	0	0	0	114.4	T20	T18-T20 PolarHBondContact O-N 3.43Å
19	I	48.3	Very low	54.3	Low	125 Å²	125	125.4 Å²	125.4	64%	0.641	66%	0.659	S	S	*	*	H	α-helix	trans	-73.9	-28.4	-160.5	-68.2	174.4	0	0	0	114.2	C21	I19-C21 PolarHBondContact O-N 3.24Å
20	T	49.6	Very low	55.6	Low	130 Å²	130	125.5 Å²	125.5	80%	0.798	66%	0.66	S	S	*	*	H	α-helix	trans	-76.9	-21.8	-174.1	-18.5	0	0	0	0	114.5	T18	T18-T20 PolarHBondContact O-N 3.43Å
21	C	46.5	Very low	57	Low	101 Å²	101	126 Å²	126	68%	0.682	66%	0.655	S	S	*	*	H	α-helix	trans	-87.6	-36.1	-176.1	-131.8	0	0	0	0	112.8	I19 H23	I19-C21 PolarHBondContact O-N 3.24Å; C21-H23 VanDerWaalsContact C-N 3.28Å; C21-H23 PolarHBondContact O-N 3.47Å
22	M	50.5	Low	58.8	Low	124 Å²	124	121.5 Å²	121.5	61%	0.611	64%	0.638	S	S	*	*	H	α-helix	trans	-67.5	-24.5	-175.9	-68.2	-102.5	71.1	0	0	113.8	N24 S25 K26	M22-N24 PolarHBondContact O-N 3.3Å; M22-S25 PolarHBondContact O-OG 3.02Å; M22-K26 PolarHBondContact O-N 3.47Å
23	H	55.4	Low	60.3	Low	137 Å²	137	118.1 Å²	118.1	63%	0.634	63%	0.625	S	S	*	*	H	α-helix	trans	-71.5	-29.9	-175.5	-148.4	-64.2	0	0	0	113	C21 V27	C21-H23 VanDerWaalsContact C-N 3.28Å; C21-H23 PolarHBondContact O-N 3.47Å; H23-V27 WeakPolarHBondContact O-CG2 3.38Å
24	N	60.2	Low	62.3	Low	125 Å²	125	119.2 Å²	119.2	67%	0.668	62%	0.618	S	S	*	*	H	α-helix	trans	-79.8	-38.4	177.1	-74.6	-32.7	0	0	0	112.3	M22 K26 V27 F28	M22-N24 PolarHBondContact O-N 3.3Å; N24-K26 VanDerWaalsContact C-N 3.32Å; N24-K26 PolarHBondContact O-N 3.42Å; N24-V27 PolarHBondContact O-N 3.29Å; N24-F28 PolarHBondContact O-N 3.46Å; N24-F28 VanDerWaalsContact O-N 3.16Å
25	S	62.4	Low	63.8	Low	48 Å²	48	114.1 Å²	114.1	34%	0.336	60%	0.599	S	S	.	*	H	α-helix	trans	-64.9	-36.1	177	57.6	0	0	0	0	112.2	M22 F28 I29	M22-S25 PolarHBondContact O-OG 3.02Å; S25-F28 PolarHBondContact O-N 3.43Å; S25-I29 WeakPolarHBondContact O-CG1 3.31Å; S25-I29 PolarHBondContact O-N 2.87Å
26	K	72.6	Confident	65.6	Low	147 Å²	147	113.8 Å²	113.8	64%	0.639	59%	0.592	S	S	*	*	H	α-helix	trans	-65.4	-41.6	179.5	-158	168.5	-175	174.6	0	112.2	M22 N24 I29 E30	M22-K26 PolarHBondContact O-N 3.47Å; N24-K26 VanDerWaalsContact C-N 3.32Å; N24-K26 PolarHBondContact O-N 3.42Å; K26-I29 PolarHBondContact O-N 3.43Å; K26-E30 WeakPolarHBondContact O-CG 3.5Å; K26-E30 PolarHBondContact O-N 3.16Å; K26-E30 VanDerWaalsContact O-N 3.12Å
27	V	79.5	Confident	67.3	Low	76 Å²	76	109 Å²	109	46%	0.461	58%	0.579	S	S	.	*	H	α-helix	trans	-64.9	-38.8	174.1	175.9	0	0	0	0	111.5	H23 N24 E30 L31	H23-V27 WeakPolarHBondContact O-CG2 3.38Å; N24-V27 PolarHBondContact O-N 3.29Å; V27-E30 PolarHBondContact O-N 2.99Å; V27-L31 HydrophobicContact CG1-CD1 3.95Å; V27-L31 PolarHBondContact O-N 3.29Å; V27-L31 VanDerWaalsContact O-N 3.09Å
28	F	74.4	Confident	68.7	Low	147 Å²	147	109 Å²	109	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-67.7	-37.3	179.1	-143.9	-88	0	0	0	112.7	N24 S25 L32	N24-F28 PolarHBondContact O-N 3.46Å; N24-F28 VanDerWaalsContact O-N 3.16Å; S25-F28 PolarHBondContact O-N 3.43Å; F28-L32 HydrophobicContact CD1-CD1 3.87Å; F28-L32 HydrophobicContact CD1-CG 4.37Å; F28-L32 HydrophobicContact CE1-CD1 4.17Å; F28-L32 WeakPolarHBondContact O-CG 3.49Å; F28-L32 PolarHBondContact O-N 2.95Å
29	I	79	Confident	69.7	Low	103 Å²	103	109.8 Å²	109.8	53%	0.528	57%	0.572	S	S	.	*	H	α-helix	trans	-67.7	-44	175.5	-69	167	0	0	0	111	S25 K26 L31 L32 C33	S25-I29 WeakPolarHBondContact O-CG1 3.31Å; S25-I29 PolarHBondContact O-N 2.87Å; K26-I29 PolarHBondContact O-N 3.43Å; I29-L31 PolarHBondContact O-N 3.44Å; I29-L32 PolarHBondContact O-N 2.98Å; I29-C33 PolarHBondContact O-N 3.45Å; I29-C33 PolarHBondContact O-SG 3.33Å
30	E	79	Confident	70.7	Confident	119 Å²	119	108 Å²	108	56%	0.556	57%	0.571	S	S	*	*	H	α-helix	trans	-58	-45.4	174.7	-76.1	-70.6	160.8	0	0	112	K26 V27 L32 C33 L34	K26-E30 WeakPolarHBondContact O-CG 3.5Å; K26-E30 PolarHBondContact O-N 3.16Å; K26-E30 VanDerWaalsContact O-N 3.12Å; V27-E30 PolarHBondContact O-N 2.99Å; E30-L32 PolarHBondContact O-N 3.49Å; E30-C33 PolarHBondContact O-N 2.97Å; E30-L34 WeakPolarHBondContact O-CB 3.4Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 3.43Å
31	L	81	Confident	71.8	Confident	107 Å²	107	107 Å²	107	56%	0.56	56%	0.564	S	S	*	*	H	α-helix	trans	-63.6	-39	175.3	-100	112.9	0	0	0	113.2	V27 I29 L34 T35	V27-L31 HydrophobicContact CG1-CD1 3.95Å; V27-L31 PolarHBondContact O-N 3.29Å; V27-L31 VanDerWaalsContact O-N 3.09Å; I29-L31 PolarHBondContact O-N 3.44Å; L31-L34 PolarHBondContact O-N 2.92Å; L31-T35 WeakPolarHBondContact O-CG2 3.42Å; L31-T35 PolarHBondContact O-N 3.4Å; L31-T35 PolarHBondContact O-OG1 3.34Å
32	L	82	Confident	72.5	Confident	87 Å²	87	107.7 Å²	107.7	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-44.4	175.2	-80.3	168.1	0	0	0	111.6	F28 I29 E30 L34 T35 I36	F28-L32 HydrophobicContact CD1-CD1 3.87Å; F28-L32 HydrophobicContact CD1-CG 4.37Å; F28-L32 HydrophobicContact CE1-CD1 4.17Å; F28-L32 WeakPolarHBondContact O-CG 3.49Å; F28-L32 PolarHBondContact O-N 2.95Å; I29-L32 PolarHBondContact O-N 2.98Å; E30-L32 PolarHBondContact O-N 3.49Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.36Å; L32-T35 PolarHBondContact O-N 3.07Å; L32-T35 PolarHBondContact O-OG1 3.44Å; L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.23Å
33	C	80.9	Confident	72.8	Confident	67 Å²	67	105.7 Å²	105.7	45%	0.453	56%	0.563	S	S	.	*	H	α-helix	trans	-59.6	-44.1	174.8	-74.8	0	0	0	0	111.8	I29 E30 I36 V37	I29-C33 PolarHBondContact O-N 3.45Å; I29-C33 PolarHBondContact O-SG 3.33Å; E30-C33 PolarHBondContact O-N 2.97Å; C33-I36 PolarHBondContact O-N 3.3Å; C33-V37 VanDerWaalsContact O-CG2 3.3Å; C33-V37 WeakPolarHBondContact O-CG2 3.39Å; C33-V37 PolarHBondContact O-N 2.99Å
34	L	82.2	Confident	72.7	Confident	110 Å²	110	101.8 Å²	101.8	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-62.9	-41.7	176.2	-74.1	169.8	0	0	0	112.7	E30 L31 L32 V37 W38	E30-L34 WeakPolarHBondContact O-CB 3.4Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 2.92Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 3.36Å; L34-V37 PolarHBondContact O-N 3.36Å; L34-W38 VanDerWaalsContact O-CB 3.31Å; L34-W38 WeakPolarHBondContact O-CB 3.38Å; L34-W38 PolarHBondContact O-N 3.43Å
35	T	77.1	Confident	72	Confident	69 Å²	69	101.3 Å²	101.3	42%	0.423	56%	0.563	S	S	.	*	H	α-helix	trans	-70	-35.1	177.8	53.8	0	0	0	0	112.9	L31 L32 N39	L31-T35 WeakPolarHBondContact O-CG2 3.42Å; L31-T35 PolarHBondContact O-N 3.4Å; L31-T35 PolarHBondContact O-OG1 3.34Å; L32-T35 PolarHBondContact O-N 3.07Å; L32-T35 PolarHBondContact O-OG1 3.44Å; T35-N39 PolarHBondContact O-N 3.43Å; T35-N39 VanDerWaalsContact O-N 3.09Å; T35-N39 PolarHBondContact O-ND2 3.05Å
36	I	77.1	Confident	71.1	Confident	104 Å²	104	107 Å²	107	53%	0.533	59%	0.589	S	S	.	*	H	α-helix	trans	-64.3	-49.2	173.2	-68	165.1	0	0	0	110.1	L32 C33 W38 N39 S40	L32-I36 VanDerWaalsContact O-CG1 3.31Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 3.23Å; C33-I36 PolarHBondContact O-N 3.3Å; I36-W38 PolarHBondContact O-N 3.27Å; I36-N39 PolarHBondContact O-N 3.33Å; I36-S40 WeakPolarHBondContact O-CB 3.3Å; I36-S40 PolarHBondContact O-N 3.41Å; I36-S40 PolarHBondContact O-OG 3.42Å
37	V	79.8	Confident	69.8	Low	87 Å²	87	108.1 Å²	108.1	53%	0.527	60%	0.6	S	S	.	*	H	α-helix	trans	-61.1	-42.8	178	172.6	0	0	0	0	111.5	C33 L34 N39 S40 V41	C33-V37 VanDerWaalsContact O-CG2 3.3Å; C33-V37 WeakPolarHBondContact O-CG2 3.39Å; C33-V37 PolarHBondContact O-N 2.99Å; L34-V37 PolarHBondContact O-N 3.36Å; V37-N39 PolarHBondContact O-N 3.4Å; V37-S40 PolarHBondContact O-N 3.42Å; V37-V41 HydrophobicContact CG1-CG2 4.11Å; V37-V41 WeakPolarHBondContact O-CB 3.47Å; V37-V41 VanDerWaalsContact O-CG2 3.31Å; V37-V41 WeakPolarHBondContact O-CG2 3.33Å; V37-V41 PolarHBondContact O-N 3.19Å
38	W	75.2	Confident	67.7	Low	181 Å²	181	114.4 Å²	114.4	69%	0.686	62%	0.622	S	S	*	*	H	α-helix	trans	-61.4	-43.3	178.5	-159	-65.5	0	0	0	112	L34 I36 I42	L34-W38 VanDerWaalsContact O-CB 3.31Å; L34-W38 WeakPolarHBondContact O-CB 3.38Å; L34-W38 PolarHBondContact O-N 3.43Å; I36-W38 PolarHBondContact O-N 3.27Å; W38-I42 HydrophobicContact CD2-CD1 4.09Å; W38-I42 HydrophobicContact CG-CD1 4.1Å; W38-I42 HydrophobicContact CZ2-CD1 4.35Å; W38-I42 WeakPolarHBondContact O-CB 3.47Å; W38-I42 PolarHBondContact O-N 2.9Å
39	N	70.9	Confident	66	Low	112 Å²	112	116.4 Å²	116.4	60%	0.599	63%	0.633	S	S	*	*	H	α-helix	trans	-71.1	-41.8	178.1	-76	-68.3	0	0	0	112.6	T35 I36 V37	T35-N39 PolarHBondContact O-N 3.43Å; T35-N39 VanDerWaalsContact O-N 3.09Å; T35-N39 PolarHBondContact O-ND2 3.05Å; I36-N39 PolarHBondContact O-N 3.33Å; V37-N39 PolarHBondContact O-N 3.4Å
40	S	70.3	Confident	64.1	Low	88 Å²	88	116.4 Å²	116.4	62%	0.615	64%	0.642	S	S	*	*	H	α-helix	trans	-71.9	-28.8	-179.1	-63.9	0	0	0	0	114.1	I36 V37	I36-S40 WeakPolarHBondContact O-CB 3.3Å; I36-S40 PolarHBondContact O-N 3.41Å; I36-S40 PolarHBondContact O-OG 3.42Å; V37-S40 PolarHBondContact O-N 3.42Å
41	V	71.4	Confident	62.1	Low	108 Å²	108	119.5 Å²	119.5	66%	0.655	66%	0.657	S	S	*	*	H	α-helix	trans	-95.4	-33.5	-175.3	178.8	0	0	0	0	112.9	V37	V37-V41 HydrophobicContact CG1-CG2 4.11Å; V37-V41 WeakPolarHBondContact O-CB 3.47Å; V37-V41 VanDerWaalsContact O-CG2 3.31Å; V37-V41 WeakPolarHBondContact O-CG2 3.33Å; V37-V41 PolarHBondContact O-N 3.19Å
42	I	61.7	Low	60	Low	115 Å²	115	120.4 Å²	120.4	59%	0.59	67%	0.667	S	S	*	*	H	α-helix	trans	-100.2	-19.4	-169.8	-61.6	171.7	0	0	0	113.2	W38	W38-I42 HydrophobicContact CD2-CD1 4.09Å; W38-I42 HydrophobicContact CG-CD1 4.1Å; W38-I42 HydrophobicContact CZ2-CD1 4.35Å; W38-I42 WeakPolarHBondContact O-CB 3.47Å; W38-I42 PolarHBondContact O-N 2.9Å
43	A	57.1	Low	57.8	Low	83 Å²	83	123.4 Å²	123.4	69%	0.686	68%	0.682	S	S	*	*	S	Bend	trans	-100.4	11.6	177.5	0	0	0	0	0	114.5
44	G	52.6	Low	55.8	Low	54 Å²	54	128.9 Å²	128.9	56%	0.557	70%	0.701	S	S	*	*			trans	-72.8	-45.4	-155.8	0	0	0	0	0	119.6
45	P	45.1	Very low	53.3	Low	115 Å²	115	127.1 Å²	127.1	75%	0.747	71%	0.71	S	S	*	*			trans	-129.5	98.6	-167.7	35.8	-18.8	0	0	0	115.1
46	L	44.7	Very low	51.3	Low	168 Å²	168	132.7 Å²	132.7	88%	0.88	73%	0.728	S	S	*	*			trans	-137.1	146.2	149	-73.1	177	0	0	0	107.8
47	I	43.8	Very low	49.1	Very low	171 Å²	171	134.1 Å²	134.1	88%	0.877	74%	0.742	S	S	*	*			trans	82.7	81.6	-172.7	-46.5	163.6	0	0	0	113.3
48	F	36.9	Very low	46.8	Very low	207 Å²	207	139.1 Å²	139.1	91%	0.908	75%	0.753	S	S	*	*			trans	-148.9	107.8	164.8	-146.2	-73.4	0	0	0	108.9
49	Q	37.7	Very low	44.7	Very low	189 Å²	189	135.7 Å²	135.7	88%	0.883	75%	0.754	S	S	*	*			trans	149.4	137.7	-178.9	-95.5	172.2	-6.5	0	0	104.7
50	S	38.6	Very low	42.7	Very low	103 Å²	103	135 Å²	135	72%	0.72	76%	0.764	S	S	*	*			cis	-158	166.7	-9.2	47.3	0	0	0	0	104.7
51	E	38.3	Very low	40.9	Very low	185 Å²	185	136.8 Å²	136.8	86%	0.864	77%	0.771	S	S	*	*			cis	-150.9	159	32.3	-67.6	173.6	125.2	0	0	110.6
52	T	36.1	Very low	38.7	Very low	126 Å²	126	139 Å²	139	77%	0.773	78%	0.779	S	S	*	*			trans	-110.4	137.9	165.8	49.6	0	0	0	0	109.3
53	L	36.7	Very low	37.3	Very low	149 Å²	149	139.8 Å²	139.8	78%	0.78	79%	0.789	S	S	*	*			trans	-171.2	150.2	136.2	-124.6	73.9	0	0	0	112.7
54	E	38.3	Very low	36	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	79%	0.788	S	S	*	*			trans	53.7	125.6	160.3	-57	-174.7	126.4	0	0	119.3
55	G	30.3	Very low	35	Very low	73 Å²	73	146.7 Å²	146.7	75%	0.753	80%	0.803	S	S	*	*			cis	112.7	82.3	4.3	0	0	0	0	0	113.1
56	K	33.9	Very low	34.3	Very low	187 Å²	187	150 Å²	150	81%	0.813	81%	0.811	S	S	*	*			trans	-155	103.8	161.7	-113.2	158.5	-168.8	164.5	0	112.2
57	T	31.3	Very low	33.7	Very low	133 Å²	133	149 Å²	149	82%	0.816	81%	0.806	S	S	*	*			trans	-88.7	139.3	172.9	-43.8	0	0	0	0	109.7
58	Y	31.8	Very low	33	Very low	193 Å²	193	147.6 Å²	147.6	76%	0.757	80%	0.801	S	S	*	*			trans	-128.8	141.9	159.5	-75	-76.5	0	0	0	109.9
59	P	31.4	Very low	32.8	Very low	109 Å²	109	143.6 Å²	143.6	71%	0.708	80%	0.799	S	S	*	*			trans	-92.7	159.8	-161.2	36.3	-36.8	0	0	0	114.2
60	A	27.8	Very low	32.5	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	80%	0.795	S	S	*	*			trans	-71.2	143	167.3	0	0	0	0	0	111.6
61	V	32.8	Very low	32.1	Very low	125 Å²	125	144 Å²	144	76%	0.758	80%	0.798	S	S	*	*			trans	-106.5	110.7	167.8	176.3	0	0	0	0	108.5
62	N	26.6	Very low	31.5	Very low	155 Å²	155	142 Å²	142	83%	0.829	80%	0.8	S	S	*	*			trans	-83.3	124.2	162.6	-78.5	-24.5	0	0	0	108.7
63	T	31.6	Very low	31.3	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	80%	0.798	S	S	*	*			trans	-127	98.1	156.5	-49	0	0	0	0	108.9
64	S	30.3	Very low	30.7	Very low	96 Å²	96	141 Å²	141	67%	0.671	80%	0.797	S	S	*	*			trans	-76	170.7	169.6	43	0	0	0	0	112.2
65	Q	30.1	Very low	30.2	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	79%	0.786	S	S	*	*			trans	94	100.2	169.3	-55.1	-174	-66.1	0	0	118
66	M	31.7	Very low	30.1	Very low	186 Å²	186	139.4 Å²	139.4	92%	0.916	78%	0.784	S	S	*	*			trans	152.7	68	138.1	-85.9	-173.5	172.3	0	0	107.3
67	N	31.4	Very low	29.9	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	78%	0.778	S	S	*	*				54	95.1	72.7	-138.8	24.8	0	0	0	114.1
68	N	29.4	Very low	29.9	Very low	142 Å²	142	136.8 Å²	136.8	76%	0.759	77%	0.769	S	S	*	*			trans	38.2	118.1	148.6	-64.2	-12.2	0	0	0	120.5
69	S	33.7	Very low	30	Very low	124 Å²	124	134 Å²	134	87%	0.867	77%	0.768	S	S	*	*				-152.4	120	117.4	-79.5	0	0	0	0	110.4
70	N	29.5	Very low	30	Very low	152 Å²	152	136 Å²	136	81%	0.813	77%	0.767	S	S	*	*			trans	-67.9	143.1	165.5	-67.8	-33.9	0	0	0	108.8
71	N	31.3	Very low	30.3	Very low	147 Å²	147	137 Å²	137	79%	0.786	76%	0.764	S	S	*	*			trans	-161.5	111	144.2	-97.4	-24.1	0	0	0	110.2	I73	N71-I73 HydrophobicContact CB-CG1 4.5Å; N71-I73 PolarHBondContact O-N 3.06Å
72	T	25.9	Very low	30.3	Very low	145 Å²	145	137.2 Å²	137.2	89%	0.89	77%	0.765	S	S	*	*			trans	-65	117.6	161.1	36.4	0	0	0	0	109.4
73	I	30.9	Very low	30.4	Very low	143 Å²	143	134.2 Å²	134.2	73%	0.733	76%	0.762	S	S	*	*			trans	-128	107.4	169.7	-63.8	-176.9	0	0	0	108.4	N71	N71-I73 HydrophobicContact CB-CG1 4.5Å; N71-I73 PolarHBondContact O-N 3.06Å
74	S	24.6	Very low	30.4	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	76%	0.758	S	S	*	*			trans	-70.6	163.2	155.6	178.2	0	0	0	0	109.1
75	S	29	Very low	30.3	Very low	90 Å²	90	135.7 Å²	135.7	63%	0.629	77%	0.767	S	S	*	*			trans	87.9	127.9	169	79.4	0	0	0	0	118.7
76	N	28.1	Very low	30.6	Very low	133 Å²	133	133 Å²	133	71%	0.711	76%	0.763	S	S	*	*			trans	70.5	123.9	131	-62.7	16.2	0	0	0	121.4
77	E	29.2	Very low	30.7	Very low	147 Å²	147	127.4 Å²	127.4	69%	0.687	75%	0.753	S	S	*	*				68.8	122.5	126.5	-73.5	-173.5	115	0	0	122.2
78	N	31.4	Very low	30.7	Very low	117 Å²	117	127 Å²	127	63%	0.626	76%	0.756	S	S	*	*			trans	86.6	137.7	134.4	-57.4	-16.8	0	0	0	120.4
79	N	33.1	Very low	31.1	Very low	135 Å²	135	127.9 Å²	127.9	72%	0.722	76%	0.759	S	S	*	*			trans	71.8	81.4	160.8	-58.9	-11.6	0	0	0	118.9	T81	N79-T81 HydrophobicContact CB-CG2 4.44Å; N79-T81 PolarHBondContact O-N 3.29Å
80	E	32.1	Very low	31.1	Very low	150 Å²	150	131.1 Å²	131.1	70%	0.701	76%	0.76	S	S	*	*			trans	-68.6	72.4	147.8	-75.8	178.5	167.2	0	0	109.6	V82 K159	E80-V82 PolarHBondContact O-N 3.27Å; E80-K159 IonicContact OE1-NZ 3.92Å; E80-K159 PolarHBondContact OE1-NZ 3.28Å; E80-K159 IonicContact OE2-NZ 2.75Å
81	T	33.3	Very low	31.6	Very low	120 Å²	120	127 Å²	127	74%	0.736	76%	0.755	S	S	*	*			trans	-81.3	106	169.5	32.8	0	0	0	0	110.6	N79 A83	N79-T81 HydrophobicContact CB-CG2 4.44Å; N79-T81 PolarHBondContact O-N 3.29Å; T81-A83 PolarHBondContact O-N 3.29Å
82	V	32.9	Very low	31.7	Very low	130 Å²	130	127.3 Å²	127.3	79%	0.788	76%	0.762	S	S	*	*			trans	-75.1	89.8	177.7	-178	0	0	0	0	110.3	E80 T84	E80-V82 PolarHBondContact O-N 3.27Å; V82-T84 PolarHBondContact O-N 2.99Å; V82-T84 VanDerWaalsContact O-N 3.09Å
83	A	29.3	Very low	32.1	Very low	92 Å²	92	123.6 Å²	123.6	76%	0.76	75%	0.752	S	S	*	*			trans	-70	99.9	170.4	0	0	0	0	0	110.4	T81 T85	T81-A83 PolarHBondContact O-N 3.29Å; A83-T85 PolarHBondContact O-N 3.38Å
84	T	31	Very low	32.4	Very low	117 Å²	117	124 Å²	124	72%	0.718	76%	0.756	S	S	*	*			trans	-79.9	107.2	170.1	-59.6	0	0	0	0	109.1	V82 V86	V82-T84 PolarHBondContact O-N 2.99Å; V82-T84 VanDerWaalsContact O-N 3.09Å; T84-V86 HydrophobicContact CG2-CG2 4.32Å; T84-V86 PolarHBondContact O-N 3.35Å
85	T	29.3	Very low	33.2	Very low	139 Å²	139	127.1 Å²	127.1	85%	0.853	76%	0.762	S	S	*	*			trans	-72.8	118.4	174.5	40.1	0	0	0	0	110.6	A83	A83-T85 PolarHBondContact O-N 3.38Å
86	V	36.2	Very low	33.7	Very low	129 Å²	129	128.5 Å²	128.5	78%	0.782	77%	0.767	S	S	*	*			trans	-119.3	129.6	166.6	-178.1	0	0	0	0	107.8	T84	T84-V86 HydrophobicContact CG2-CG2 4.32Å; T84-V86 PolarHBondContact O-N 3.35Å
87	G	33.2	Very low	34	Very low	69 Å²	69	129.6 Å²	129.6	71%	0.711	77%	0.767	S	S	*	*			trans	-69.2	139.5	-170.4	0	0	0	0	0	113.7	I89	G87-I89 PolarHBondContact O-N 3.45Å
88	T	30.6	Very low	34.8	Very low	138 Å²	138	129.3 Å²	129.3	85%	0.847	77%	0.769	S	S	*	*			trans	-66.8	122.7	175.6	-43	0	0	0	0	111
89	I	38.2	Very low	35.6	Very low	159 Å²	159	131 Å²	131	82%	0.815	77%	0.773	S	S	*	*			trans	-117.5	129.7	159.3	-58.9	178.6	0	0	0	106.2	G87 G91	G87-I89 PolarHBondContact O-N 3.45Å; I89-G91 PolarHBondContact O-N 3.06Å
90	E	34.4	Very low	36.8	Very low	192 Å²	192	129.9 Å²	129.9	90%	0.897	77%	0.772	S	S	*	*			trans	-67.3	128.3	-175.1	-59.6	176.4	137.1	0	0	111.2
91	G	38.7	Very low	38.3	Very low	67 Å²	67	127.4 Å²	127.4	69%	0.691	76%	0.76	S	S	*	*			trans	175.8	97.3	-179.9	0	0	0	0	0	113.4	I89 G93	I89-G91 PolarHBondContact O-N 3.06Å; G91-G93 PolarHBondContact O-N 3.26Å
92	T	34.3	Very low	40.4	Very low	152 Å²	152	127.1 Å²	127.1	93%	0.933	76%	0.758	S	S	*	*			trans	-20.8	117.7	168.7	50.8	0	0	0	0	117.1
93	G	34	Very low	42.9	Very low	67 Å²	67	121.5 Å²	121.5	69%	0.691	72%	0.724	S	S	*	*			trans	160.6	124.9	165.1	0	0	0	0	0	113.3	G91	G91-G93 PolarHBondContact O-N 3.26Å
94	D	37.1	Very low	45.6	Very low	153 Å²	153	125.3 Å²	125.3	82%	0.818	73%	0.732	S	S	*	*			trans	43.3	124.4	165.1	-58.3	-24.8	0	0	0	120.7	V96	D94-V96 PolarHBondContact O-N 3.28Å
95	I	41	Very low	48.3	Very low	174 Å²	174	122.8 Å²	122.8	89%	0.892	71%	0.714	S	S	*	*			trans	-69.6	94.6	162.8	-57.8	173.9	0	0	0	107.5	E97	I95-E97 PolarHBondContact O-N 3.44Å
96	V	41.1	Very low	50.8	Low	119 Å²	119	120.7 Å²	120.7	72%	0.721	70%	0.703	S	S	*	*			trans	-73.3	97.9	168.7	-178.8	0	0	0	0	108	D94 I98	D94-V96 PolarHBondContact O-N 3.28Å; V96-I98 PolarHBondContact O-N 2.99Å; V96-I98 VanDerWaalsContact O-N 3.09Å
97	E	34.7	Very low	53.1	Low	155 Å²	155	121.1 Å²	121.1	72%	0.724	70%	0.7	S	S	*	*			trans	-60	108.9	166.4	-175.5	171.8	-146.4	0	0	108.4	I95 Q99	I95-E97 PolarHBondContact O-N 3.44Å; E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 3.38Å
98	I	45.3	Very low	55.7	Low	142 Å²	142	122 Å²	122	73%	0.728	69%	0.686	S	S	*	*			trans	-71.1	93	175.1	-56.4	176.3	0	0	0	106.8	V96 T100	V96-I98 PolarHBondContact O-N 2.99Å; V96-I98 VanDerWaalsContact O-N 3.09Å; I98-T100 VanDerWaalsContact C-N 3.29Å; I98-T100 HydrophobicContact CG2-CG2 4.4Å; I98-T100 PolarHBondContact O-N 3.05Å
99	Q	47.9	Very low	58.6	Low	153 Å²	153	117.6 Å²	117.6	72%	0.715	66%	0.656	S	S	*	*			trans	-62.9	95	169.1	-68.8	-176.5	1.2	0	0	108.1	E97 E101	E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 3.38Å; Q99-E101 VanDerWaalsContact C-N 3.26Å; Q99-E101 PolarHBondContact O-N 3.48Å
100	T	57.6	Low	61	Low	111 Å²	111	113.3 Å²	113.3	68%	0.681	63%	0.631	S	S	*	*			trans	-70.1	90.3	167	52.9	0	0	0	0	107.2	I98 T102	I98-T100 VanDerWaalsContact C-N 3.29Å; I98-T100 HydrophobicContact CG2-CG2 4.4Å; I98-T100 PolarHBondContact O-N 3.05Å; T100-T102 PolarHBondContact O-N 2.93Å
101	E	64.2	Low	63.5	Low	97 Å²	97	106.1 Å²	106.1	45%	0.453	60%	0.6	S	S	.	*			trans	-54.2	135.6	166.2	-69.1	-170.9	-176.8	0	0	108.7	Q99 V111 P118	Q99-E101 VanDerWaalsContact C-N 3.26Å; Q99-E101 PolarHBondContact O-N 3.48Å; E101-V111 WeakPolarHBondContact O-CG2 3.3Å; E101-P118 VanDerWaalsContact CD-CG 3.41Å; E101-P118 HydrophobicContact CG-CG 4.27Å; E101-P118 WeakPolarHBondContact OE1-CG 3.3Å; E101-P118 WeakPolarHBondContact OE2-CB 3.33Å; E101-P118 VanDerWaalsContact OE2-CG 3.31Å; E101-P118 WeakPolarHBondContact OE2-CG 3.4Å
102	T	77.6	Confident	65.6	Low	114 Å²	114	103.1 Å²	103.1	70%	0.699	57%	0.569	S	S	*	*			trans	-125.7	132.3	177.4	50	0	0	0	0	108	T100	T100-T102 PolarHBondContact O-N 2.93Å
103	C	85.4	Confident	67.6	Low	12 Å²	12	100.6 Å²	100.6	8%	0.081	56%	0.555	C	S	.	*			trans	-72.3	151.3	175.5	-57.4	0	0	0	0	111.5	D105 E109 V111 C120	C103-D105 PolarHBondContact O-N 2.88Å; C103-E109 HydrophobicContact CB-CB 3.79Å; C103-V111 VanDerWaalsContact SG-CG2 3.5Å; C103-C120 WeakPolarHBondContact CA-SG 3.3Å; C103-C120 HydrophobicContact CB-CB 3.89Å; C103-C120 WeakPolarHBondContact CB-SG 3.45Å; C103-C120 WeakPolarHBondContact SG-CA 3.45Å; C103-C120 WeakPolarHBondContact SG-CB 3.31Å; C103-C120 CovalentContact SG-SG 2.03Å; C103-C120 PolarHBondContact SG-SG 2.91Å
104	D	86.3	Confident	69.1	Low	172 Å²	172	99.8 Å²	99.8	92%	0.92	54%	0.536	S	S	*	.	S	Bend	trans	-57.8	-33.9	179.2	-67.8	-40.1	0	0	0	112
105	D	86.4	Confident	70.6	Confident	64 Å²	64	104.7 Å²	104.7	34%	0.342	54%	0.543	S	S	.	.			trans	-119.3	97.7	170.8	-163.7	-47.9	0	0	0	112.1	C103 L107 E108 E109	C103-D105 PolarHBondContact O-N 2.88Å; D105-L107 PolarHBondContact O-N 3.28Å; D105-L107 WeakPolarHBondContact OD1-CA 3.45Å; D105-L107 WeakPolarHBondContact OD1-CB 3.47Å; D105-L107 PolarHBondContact OD1-N 2.85Å; D105-E108 HydrophobicContact CB-CB 4.05Å; D105-E108 HydrophobicContact CB-CG 4.42Å; D105-E108 PolarHBondContact O-N 3.33Å; D105-E108 PolarHBondContact OD1-N 3.41Å; D105-E109 WeakPolarHBondContact O-CA 3.29Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 2.85Å
106	P	82.6	Confident	71.8	Confident	96 Å²	96	98.5 Å²	98.5	62%	0.623	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.1	177.3	-22.7	34.4	0	0	0	115.1	K123	P106-K123 PolarHBondContact O-NZ 3.2Å
107	L	84.9	Confident	73.2	Confident	137 Å²	137	97.6 Å²	97.6	72%	0.717	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-43.3	176	-67.9	172.8	0	0	0	110.5	D105 K123 R155	D105-L107 PolarHBondContact O-N 3.28Å; D105-L107 WeakPolarHBondContact OD1-CA 3.45Å; D105-L107 WeakPolarHBondContact OD1-CB 3.47Å; D105-L107 PolarHBondContact OD1-N 2.85Å; L107-K123 VanDerWaalsContact C-NZ 3.25Å; L107-K123 VanDerWaalsContact O-CD 3.29Å; L107-K123 WeakPolarHBondContact O-CD 3.46Å; L107-K123 PolarHBondContact O-NZ 2.98Å; L107-R155 WeakPolarHBondContact O-CD 3.45Å
108	E	88.5	Confident	75.3	Confident	88 Å²	88	93.1 Å²	93.1	41%	0.411	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-32.5	-178	-61.2	-136.9	131.1	0	0	113.7	D105 K123 R155	D105-E108 HydrophobicContact CB-CB 4.05Å; D105-E108 HydrophobicContact CB-CG 4.42Å; D105-E108 PolarHBondContact O-N 3.33Å; D105-E108 PolarHBondContact OD1-N 3.41Å; E108-K123 WeakPolarHBondContact O-CB 3.31Å; E108-K123 WeakPolarHBondContact O-CG 3.42Å; E108-K123 PolarHBondContact O-N 3.36Å; E108-R155 IonicContact OE1-CZ 3.66Å; E108-R155 IonicContact OE1-NH1 2.7Å; E108-R155 PolarHBondContact OE1-NH1 3.12Å; E108-R155 IonicContact OE1-NH2 3.44Å; E108-R155 PolarHBondContact OE1-NH2 3.49Å; E108-R155 IonicContact OE2-NH1 3.32Å
109	E	90.2	Very high	77.2	Confident	46 Å²	46	89.3 Å²	89.3	22%	0.215	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	165.4	-170.9	-55.9	-163.9	141.3	0	0	113.6	C103 D105 C120 C121 K123	C103-E109 HydrophobicContact CB-CB 3.79Å; D105-E109 WeakPolarHBondContact O-CA 3.29Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 2.85Å; E109-C120 WeakPolarHBondContact OE2-CB 3.34Å; E109-C121 CarbonylContact C-O 3.46Å; E109-C121 WeakPolarHBondContact CA-O 3.37Å; E109-K123 WeakPolarHBondContact O-CE 3.41Å; E109-K123 PolarHBondContact O-NZ 3.42Å
110	F	88.1	Confident	79.2	Confident	69 Å²	69	84 Å²	84	30%	0.303	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	140.6	-177.9	166.5	-107.9	0	0	0	110.4	S112 P113 C121 K123 A157 T158	F110-S112 PolarHBondContact O-N 3.48Å; F110-P113 VanDerWaalsContact CE1-CD 3.46Å; F110-P113 HydrophobicContact CE1-CG 4.43Å; F110-P113 HydrophobicContact CZ-CG 4.32Å; F110-C121 PolarHBondContact N-O 2.97Å; F110-C121 PolarHBondContact O-N 3.03Å; F110-K123 HydrophobicContact CB-CG 4.15Å; F110-A157 HydrophobicContact CB-CB 3.92Å; F110-A157 HydrophobicContact CD1-CB 3.72Å; F110-A157 HydrophobicContact CG-CB 4.11Å; F110-T158 HydrophobicContact CE1-CG2 4.05Å; F110-T158 HydrophobicContact CZ-CG2 4.4Å
111	V	88.6	Confident	80.7	Confident	40 Å²	40	78.7 Å²	78.7	24%	0.242	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.4	176.4	-177.2	0	0	0	0	109.6	E101 C103 P118 R119	E101-V111 WeakPolarHBondContact O-CG2 3.3Å; C103-V111 VanDerWaalsContact SG-CG2 3.5Å; V111-P118 HydrophobicContact CG1-CB 3.71Å; V111-R119 WeakPolarHBondContact CA-O 3.35Å
112	S	83	Confident	82.1	Confident	5 Å²	5	81.8 Å²	81.8	4%	0.035	43%	0.433	C	S	.	.			trans	-77.6	128.9	-169.9	-166.3	0	0	0	0	113.8	F110 V114 R119 C121 C134	F110-S112 PolarHBondContact O-N 3.48Å; S112-V114 PolarHBondContact O-N 2.86Å; S112-V114 VanDerWaalsContact O-N 3.13Å; S112-V114 VanDerWaalsContact OG-CG2 3.25Å; S112-V114 WeakPolarHBondContact OG-CG2 3.39Å; S112-R119 PolarHBondContact N-O 2.91Å; S112-C121 VanDerWaalsContact CB-SG 3.58Å; S112-C134 WeakPolarHBondContact CB-SG 3.38Å; S112-C134 PolarHBondContact OG-SG 3.31Å
113	P	74.5	Confident	82.9	Confident	99 Å²	99	78 Å²	78	64%	0.643	41%	0.407	S	S	*	.			trans	-83.8	29.2	176.2	37	-38	0	0	0	112.6	F110	F110-P113 VanDerWaalsContact CE1-CD 3.46Å; F110-P113 HydrophobicContact CE1-CG 4.43Å; F110-P113 HydrophobicContact CZ-CG 4.32Å
114	V	67.3	Low	83.4	Confident	49 Å²	49	77.6 Å²	77.6	30%	0.297	40%	0.404	S	S	.	.	S	Bend	trans	-61.6	150.2	174.2	167.2	0	0	0	0	109.4	S112 G116 L133 C134	S112-V114 PolarHBondContact O-N 2.86Å; S112-V114 VanDerWaalsContact O-N 3.13Å; S112-V114 VanDerWaalsContact OG-CG2 3.25Å; S112-V114 WeakPolarHBondContact OG-CG2 3.39Å; V114-G116 PolarHBondContact O-N 2.96Å; V114-L133 HydrophobicContact CG2-CD2 4.05Å; V114-C134 WeakPolarHBondContact CG2-O 3.36Å
115	R	67.3	Low	83.9	Confident	256 Å²	256	73 Å²	73	97%	0.966	38%	0.377	S	S	*	.	S	Bend	trans	-67.8	74.4	175.6	-65	-178.3	-178.4	169	-0.6	111.1
116	G	66.7	Low	84.4	Confident	45 Å²	45	72.5 Å²	72.5	46%	0.464	38%	0.377	S	S	.	.	S	Bend	trans	-178.7	-159.1	-173.5	0	0	0	0	0	111.4	V114	V114-G116 PolarHBondContact O-N 2.96Å
117	T	70.5	Confident	85	Confident	100 Å²	100	68.4 Å²	68.4	61%	0.613	35%	0.352	S	S	*	.	S	Bend	trans	-66.8	136	172.1	46.6	0	0	0	0	110.2
118	P	78.9	Confident	85.6	Confident	61 Å²	61	64.3 Å²	64.3	40%	0.396	33%	0.331	S	S	.	.			trans	-54	145.4	165.9	26	-34.9	0	0	0	110.1	E101 V111	E101-P118 VanDerWaalsContact CD-CG 3.41Å; E101-P118 HydrophobicContact CG-CG 4.27Å; E101-P118 WeakPolarHBondContact OE1-CG 3.3Å; E101-P118 WeakPolarHBondContact OE2-CB 3.33Å; E101-P118 VanDerWaalsContact OE2-CG 3.31Å; E101-P118 WeakPolarHBondContact OE2-CG 3.4Å; V111-P118 HydrophobicContact CG1-CB 3.71Å
119	R	84.2	Confident	86	Confident	62 Å²	62	60.1 Å²	60.1	23%	0.234	31%	0.311	C	S	.	.			trans	-156	153.8	172.5	58.1	154.4	-75	-140	-5.2	110.1	V111 S112 C121 S135 E138 D139	V111-R119 WeakPolarHBondContact CA-O 3.35Å; S112-R119 PolarHBondContact N-O 2.91Å; R119-C121 PolarHBondContact NE-SG 3.31Å; R119-C121 VanDerWaalsContact NE-SG 3.39Å; R119-C121 PolarHBondContact NH2-SG 3.06Å; R119-S135 WeakPolarHBondContact CD-O 3.36Å; R119-S135 PolarHBondContact NH1-O 3.41Å; R119-E138 PolarHBondContact NH1-O 3.5Å; R119-D139 IonicContact NH2-OD1 3.24Å; R119-D139 PolarHBondContact NH2-OD1 3.38Å
120	C	89.5	Confident	86.2	Confident	41 Å²	41	58.9 Å²	58.9	28%	0.277	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.4	171.5	-65.5	0	0	0	0	111.3	C103 E109	C103-C120 WeakPolarHBondContact CA-SG 3.3Å; C103-C120 HydrophobicContact CB-CB 3.89Å; C103-C120 WeakPolarHBondContact CB-SG 3.45Å; C103-C120 WeakPolarHBondContact SG-CA 3.45Å; C103-C120 WeakPolarHBondContact SG-CB 3.31Å; C103-C120 CovalentContact SG-SG 2.03Å; C103-C120 PolarHBondContact SG-SG 2.91Å; E109-C120 WeakPolarHBondContact OE2-CB 3.34Å
121	C	90.5	Very high	86.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.7	178	-59.2	0	0	0	0	109.5	E109 F110 S112 R119 C134 D139	E109-C121 CarbonylContact C-O 3.46Å; E109-C121 WeakPolarHBondContact CA-O 3.37Å; F110-C121 PolarHBondContact N-O 2.97Å; F110-C121 PolarHBondContact O-N 3.03Å; S112-C121 VanDerWaalsContact CB-SG 3.58Å; R119-C121 PolarHBondContact NE-SG 3.31Å; R119-C121 VanDerWaalsContact NE-SG 3.39Å; R119-C121 PolarHBondContact NH2-SG 3.06Å; C121-C134 HydrophobicContact CB-CB 3.61Å; C121-C134 WeakPolarHBondContact CB-SG 3.33Å; C121-C134 WeakPolarHBondContact SG-CB 3.14Å; C121-C134 CovalentContact SG-SG 2.02Å; C121-C134 PolarHBondContact SG-SG 3.2Å; C121-D139 VanDerWaalsContact CA-OD1 3.31Å; C121-D139 WeakPolarHBondContact CA-OD1 3.35Å
122	R	92.9	Very high	86.7	Confident	162 Å²	162	65.3 Å²	65.3	61%	0.611	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.3	178.5	-66.4	177.7	173.7	-178.9	-4.9	110.5	D139 T140	R122-D139 VanDerWaalsContact CB-OD2 3.28Å; R122-D139 WeakPolarHBondContact CB-OD2 3.32Å; R122-D139 VanDerWaalsContact CD-OD2 3.31Å; R122-D139 WeakPolarHBondContact CD-OD2 3.38Å; R122-D139 WeakPolarHBondContact CG-OD2 3.46Å; R122-D139 PolarHBondContact N-OD1 3.22Å; R122-D139 VanDerWaalsContact N-OD1 3.11Å; R122-T140 WeakPolarHBondContact O-CB 3.31Å; R122-T140 PolarHBondContact O-OG1 3.01Å
123	K	94.7	Very high	87.1	Confident	35 Å²	35	68 Å²	68	15%	0.152	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-86	153.3	169.5	-63.7	168.3	179.3	135	0	109.8	P106 L107 E108 E109 F110 R155 A157	P106-K123 PolarHBondContact O-NZ 3.2Å; L107-K123 VanDerWaalsContact C-NZ 3.25Å; L107-K123 VanDerWaalsContact O-CD 3.29Å; L107-K123 WeakPolarHBondContact O-CD 3.46Å; L107-K123 PolarHBondContact O-NZ 2.98Å; E108-K123 WeakPolarHBondContact O-CB 3.31Å; E108-K123 WeakPolarHBondContact O-CG 3.42Å; E108-K123 PolarHBondContact O-N 3.36Å; E109-K123 WeakPolarHBondContact O-CE 3.41Å; E109-K123 PolarHBondContact O-NZ 3.42Å; F110-K123 HydrophobicContact CB-CG 4.15Å; K123-R155 HydrophobicContact CB-CG 3.42Å; K123-R155 VanDerWaalsContact CB-CG 3.42Å; K123-R155 HydrophobicContact CD-CG 3.95Å; K123-R155 HydrophobicContact CG-CG 4.37Å; K123-A157 HydrophobicContact CB-CB 4.34Å; K123-A157 HydrophobicContact CG-CB 3.83Å
124	C	95.8	Very high	87.8	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.014	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-77.3	133.2	172.9	-57.5	0	0	0	0	110.9	N128 C142 R155 S156	C124-N128 HydrophobicContact CB-CB 4.22Å; C124-C142 WeakPolarHBondContact CA-SG 3.48Å; C124-C142 HydrophobicContact CB-CB 3.77Å; C124-C142 WeakPolarHBondContact CB-SG 3.49Å; C124-C142 VanDerWaalsContact SG-CA 3.53Å; C124-C142 WeakPolarHBondContact SG-CB 3.43Å; C124-C142 CovalentContact SG-SG 2.03Å; C124-C142 PolarHBondContact SG-SG 2.91Å; C124-R155 CarbonylContact O-C 3.57Å; C124-R155 WeakPolarHBondContact O-CA 3.28Å; C124-R155 WeakPolarHBondContact O-CG 3.44Å; C124-S156 WeakPolarHBondContact CB-O 3.49Å; C124-S156 PolarHBondContact N-O 3.17Å; C124-S156 PolarHBondContact O-N 3.13Å
125	E	96.1	Very high	88.7	Confident	77 Å²	77	62.9 Å²	62.9	36%	0.36	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-57.8	156.3	174.6	-60	-48.4	131.4	0	0	113.6	N128 R155	E125-N128 CarbonylContact O-C 3.56Å; E125-N128 WeakPolarHBondContact O-CA 3.33Å; E125-N128 WeakPolarHBondContact O-CB 3.43Å; E125-N128 PolarHBondContact O-N 3.3Å; E125-R155 VanDerWaalsContact CD-NH2 3.27Å; E125-R155 IonicContact OE1-CZ 2.71Å; E125-R155 IonicContact OE1-NE 2.72Å; E125-R155 PolarHBondContact OE1-NE 3.31Å; E125-R155 VanDerWaalsContact OE1-NE 3.16Å; E125-R155 IonicContact OE1-NH1 3.07Å; E125-R155 PolarHBondContact OE1-NH1 3.32Å; E125-R155 VanDerWaalsContact OE1-NH1 3.09Å; E125-R155 IonicContact OE1-NH2 2.93Å; E125-R155 PolarHBondContact OE1-NH2 3.45Å; E125-R155 IonicContact OE2-CZ 2.68Å; E125-R155 IonicContact OE2-NE 3.65Å; E125-R155 PolarHBondContact OE2-NE 2.68Å; E125-R155 IonicContact OE2-NH2 3.68Å; E125-R155 PolarHBondContact OE2-NH2 3.26Å
126	P	96.8	Very high	89.4	Confident	53 Å²	53	55.4 Å²	55.4	34%	0.344	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	141	161.7	-22.2	33.5	0	0	0	111.3	N128 S152 V183	P126-N128 VanDerWaalsContact C-N 3.26Å; P126-S152 CarbonylContact C-O 3.56Å; P126-S152 WeakPolarHBondContact CA-O 3.32Å; P126-V183 HydrophobicContact CB-CG1 4.04Å
127	G	96.9	Very high	90.2	Very high	9 Å²	9	59.5 Å²	59.5	9%	0.093	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-19.8	-167.6	0	0	0	0	0	114.4	C145 S152 P182	G127-C145 PolarHBondContact O-N 2.91Å; G127-C145 PolarHBondContact O-SG 3.34Å; G127-S152 PolarHBondContact N-O 2.98Å; G127-P182 VanDerWaalsContact CA-O 3.28Å; G127-P182 WeakPolarHBondContact CA-O 3.44Å
128	N	97.6	Very high	91.1	Very high	51 Å²	51	59.4 Å²	59.4	27%	0.273	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.1	178.1	-59.3	-62.9	0	0	0	111.3	C124 E125 P126 C142 R143 P144 S152	C124-N128 HydrophobicContact CB-CB 4.22Å; E125-N128 CarbonylContact O-C 3.56Å; E125-N128 WeakPolarHBondContact O-CA 3.33Å; E125-N128 WeakPolarHBondContact O-CB 3.43Å; E125-N128 PolarHBondContact O-N 3.3Å; P126-N128 VanDerWaalsContact C-N 3.26Å; N128-C142 HydrophobicContact CB-CB 4.36Å; N128-R143 CarbonylContact C-O 3.57Å; N128-R143 WeakPolarHBondContact CA-O 3.29Å; N128-R143 WeakPolarHBondContact CB-O 3.45Å; N128-P144 VanDerWaalsContact OD1-CA 3.22Å; N128-P144 WeakPolarHBondContact OD1-CA 3.47Å; N128-S152 WeakPolarHBondContact O-CB 3.4Å; N128-S152 PolarHBondContact O-OG 3.27Å
129	G	95.8	Very high	91.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.5	173.9	0	0	0	0	0	111.7	L131 R143 C161	G129-L131 PolarHBondContact O-N 2.9Å; G129-R143 PolarHBondContact N-O 3.09Å; G129-R143 PolarHBondContact O-N 3.42Å; G129-C161 PolarHBondContact N-SG 3.17Å
130	M	95	Very high	92.1	Very high	20 Å²	20	56.9 Å²	56.9	10%	0.099	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	121.8	175.5	-176	-146.2	60.9	0	0	110.6	L133 T140 A157 T158 K159 K160	M130-L133 HydrophobicContact SD-CB 3.93Å; M130-L133 HydrophobicContact SD-CD1 4.42Å; M130-L133 PolarHBondContact SD-N 2.98Å; M130-L133 VanDerWaalsContact SD-N 3.4Å; M130-T140 HydrophobicContact CG-CG2 3.92Å; M130-A157 VanDerWaalsContact CG-O 3.28Å; M130-A157 WeakPolarHBondContact CG-O 3.49Å; M130-T158 WeakPolarHBondContact CE-O 3.39Å; M130-K159 WeakPolarHBondContact CB-O 3.31Å; M130-K159 PolarHBondContact N-O 3.47Å; M130-K160 HydrophobicContact CE-CD 4.33Å; M130-K160 HydrophobicContact CE-CG 3.86Å; M130-K160 WeakPolarHBondContact O-CG 3.35Å
131	L	95.2	Very high	92.3	Very high	90 Å²	90	58 Å²	58	47%	0.471	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-46.6	167.7	177.1	59	0	0	0	110.5	G129 Q141 R143	G129-L131 PolarHBondContact O-N 2.9Å; L131-Q141 WeakPolarHBondContact CA-O 3.32Å; L131-Q141 WeakPolarHBondContact CB-O 3.43Å; L131-Q141 PolarHBondContact N-O 2.87Å; L131-R143 HydrophobicContact CB-CB 4.34Å; L131-R143 HydrophobicContact CB-CG 4.29Å
132	R	92.5	Very high	92.6	Very high	155 Å²	155	60.6 Å²	60.6	59%	0.585	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.6	172.6	-64.2	-179.2	177.2	179.1	-0.3	110	Q141	R132-Q141 HydrophobicContact CB-CB 4.12Å; R132-Q141 HydrophobicContact CB-CG 4.31Å; R132-Q141 PolarHBondContact N-O 3.03Å; R132-Q141 PolarHBondContact O-N 3.48Å
133	L	90.3	Very high	92.8	Very high	60 Å²	60	56.3 Å²	56.3	31%	0.314	29%	0.291	S	S	.	.			trans	-63.4	148.7	167.5	-171.2	64.3	0	0	0	108.7	V114 M130 A157 T158	V114-L133 HydrophobicContact CG2-CD2 4.05Å; M130-L133 HydrophobicContact SD-CB 3.93Å; M130-L133 HydrophobicContact SD-CD1 4.42Å; M130-L133 PolarHBondContact SD-N 2.98Å; M130-L133 VanDerWaalsContact SD-N 3.4Å; L133-A157 WeakPolarHBondContact CD1-O 3.27Å; L133-T158 HydrophobicContact CD1-CG2 4.29Å
134	C	89.5	Confident	92.9	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.02	31%	0.313	C	S	.	.			trans	-53.8	153.8	172.5	62.8	0	0	0	0	112.5	S112 V114 C121 E138	S112-C134 WeakPolarHBondContact CB-SG 3.38Å; S112-C134 PolarHBondContact OG-SG 3.31Å; V114-C134 WeakPolarHBondContact CG2-O 3.36Å; C121-C134 HydrophobicContact CB-CB 3.61Å; C121-C134 WeakPolarHBondContact CB-SG 3.33Å; C121-C134 WeakPolarHBondContact SG-CB 3.14Å; C121-C134 CovalentContact SG-SG 2.02Å; C121-C134 PolarHBondContact SG-SG 3.2Å; C134-E138 CarbonylContact C-O 3.56Å; C134-E138 WeakPolarHBondContact CA-O 3.49Å; C134-E138 WeakPolarHBondContact CB-O 3.42Å
135	S	85.9	Confident	93	Very high	39 Å²	39	59.3 Å²	59.3	27%	0.273	31%	0.314	S	S	.	.			trans	-111.7	-166.7	174.6	74.1	0	0	0	0	110.3	R119 T137 E138	R119-S135 WeakPolarHBondContact CD-O 3.36Å; R119-S135 PolarHBondContact NH1-O 3.41Å; S135-T137 PolarHBondContact O-N 2.95Å; S135-T137 PolarHBondContact OG-N 3.28Å; S135-T137 PolarHBondContact OG-OG1 3.44Å; S135-E138 PolarHBondContact N-O 2.78Å; S135-E138 PolarHBondContact OG-N 2.99Å
136	N	82.1	Confident	93	Very high	99 Å²	99	61.1 Å²	61.1	53%	0.529	32%	0.321	S	S	.	.	S	Bend	trans	-71.1	-15	172.7	-63.1	-0.3	0	0	0	112.8
137	T	84.6	Confident	92.9	Very high	130 Å²	130	63 Å²	63	80%	0.798	33%	0.333	S	S	*	.	S	Bend	trans	-127.9	-23.3	-173.6	56.1	0	0	0	0	114.4	S135	S135-T137 PolarHBondContact O-N 2.95Å; S135-T137 PolarHBondContact OG-N 3.28Å; S135-T137 PolarHBondContact OG-OG1 3.44Å
138	E	89.5	Confident	92.7	Very high	99 Å²	99	64.8 Å²	64.8	46%	0.463	35%	0.352	S	S	.	.	S	Bend	trans	-112.1	141.8	179.1	-62.6	-178.5	-175.8	0	0	110	R119 C134 S135 Q141	R119-E138 PolarHBondContact NH1-O 3.5Å; C134-E138 CarbonylContact C-O 3.56Å; C134-E138 WeakPolarHBondContact CA-O 3.49Å; C134-E138 WeakPolarHBondContact CB-O 3.42Å; S135-E138 PolarHBondContact N-O 2.78Å; S135-E138 PolarHBondContact OG-N 2.99Å; E138-Q141 PolarHBondContact OE2-NE2 2.89Å
139	D	90.5	Very high	92.6	Very high	56 Å²	56	68.3 Å²	68.3	30%	0.299	37%	0.365	S	S	.	.			trans	-79.1	173.9	172.5	-158.4	19.9	0	0	0	112.1	R119 C121 R122 Q141	R119-D139 IonicContact NH2-OD1 3.24Å; R119-D139 PolarHBondContact NH2-OD1 3.38Å; C121-D139 VanDerWaalsContact CA-OD1 3.31Å; C121-D139 WeakPolarHBondContact CA-OD1 3.35Å; R122-D139 VanDerWaalsContact CB-OD2 3.28Å; R122-D139 WeakPolarHBondContact CB-OD2 3.32Å; R122-D139 VanDerWaalsContact CD-OD2 3.31Å; R122-D139 WeakPolarHBondContact CD-OD2 3.38Å; R122-D139 WeakPolarHBondContact CG-OD2 3.46Å; R122-D139 PolarHBondContact N-OD1 3.22Å; R122-D139 VanDerWaalsContact N-OD1 3.11Å; D139-Q141 PolarHBondContact O-N 3.32Å; D139-Q141 VanDerWaalsContact O-N 3.16Å
140	T	91.8	Very high	92.6	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.086	37%	0.373	C	S	.	.			trans	-57.7	120.5	-178.6	-53.6	0	0	0	0	110.6	R122 M130 C142	R122-T140 WeakPolarHBondContact O-CB 3.31Å; R122-T140 PolarHBondContact O-OG1 3.01Å; M130-T140 HydrophobicContact CG-CG2 3.92Å; T140-C142 PolarHBondContact O-N 3.04Å
141	Q	94.9	Very high	92.8	Very high	64 Å²	64	70.1 Å²	70.1	30%	0.299	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.3	177.1	-57.6	-171.8	8.9	0	0	109	L131 R132 E138 D139	L131-Q141 WeakPolarHBondContact CA-O 3.32Å; L131-Q141 WeakPolarHBondContact CB-O 3.43Å; L131-Q141 PolarHBondContact N-O 2.87Å; R132-Q141 HydrophobicContact CB-CB 4.12Å; R132-Q141 HydrophobicContact CB-CG 4.31Å; R132-Q141 PolarHBondContact N-O 3.03Å; R132-Q141 PolarHBondContact O-N 3.48Å; E138-Q141 PolarHBondContact OE2-NE2 2.89Å; D139-Q141 PolarHBondContact O-N 3.32Å; D139-Q141 VanDerWaalsContact O-N 3.16Å
142	C	96.6	Very high	92.9	Very high	55 Å²	55	66 Å²	66	37%	0.372	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.3	178.4	-57.1	0	0	0	0	111.4	C124 N128 T140	C124-C142 WeakPolarHBondContact CA-SG 3.48Å; C124-C142 HydrophobicContact CB-CB 3.77Å; C124-C142 WeakPolarHBondContact CB-SG 3.49Å; C124-C142 VanDerWaalsContact SG-CA 3.53Å; C124-C142 WeakPolarHBondContact SG-CB 3.43Å; C124-C142 CovalentContact SG-SG 2.03Å; C124-C142 PolarHBondContact SG-SG 2.91Å; N128-C142 HydrophobicContact CB-CB 4.36Å; T140-C142 PolarHBondContact O-N 3.04Å
143	R	96.4	Very high	93.1	Very high	71 Å²	71	60.7 Å²	60.7	27%	0.268	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.2	169.6	69.6	170.7	-174.3	90.4	-10	111.1	N128 G129 L131 E150	N128-R143 CarbonylContact C-O 3.57Å; N128-R143 WeakPolarHBondContact CA-O 3.29Å; N128-R143 WeakPolarHBondContact CB-O 3.45Å; G129-R143 PolarHBondContact N-O 3.09Å; G129-R143 PolarHBondContact O-N 3.42Å; L131-R143 HydrophobicContact CB-CB 4.34Å; L131-R143 HydrophobicContact CB-CG 4.29Å; R143-E150 IonicContact CZ-OE1 3.16Å; R143-E150 IonicContact CZ-OE2 2.62Å; R143-E150 IonicContact NH1-OE1 2.81Å; R143-E150 IonicContact NH1-OE2 2.75Å; R143-E150 PolarHBondContact NH1-OE2 3.16Å; R143-E150 VanDerWaalsContact NH2-CD 3.35Å; R143-E150 IonicContact NH2-OE1 3.05Å; R143-E150 PolarHBondContact NH2-OE1 3.31Å; R143-E150 IonicContact NH2-OE2 2.59Å; R143-E150 PolarHBondContact NH2-OE2 3.15Å
144	P	97.5	Very high	93.2	Very high	96 Å²	96	65.2 Å²	65.2	62%	0.623	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	145.5	168	27.8	-34.4	0	0	0	110.9	N128	N128-P144 VanDerWaalsContact OD1-CA 3.22Å; N128-P144 WeakPolarHBondContact OD1-CA 3.47Å
145	C	97.5	Very high	93.5	Very high	4 Å²	4	68.6 Å²	68.6	3%	0.027	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-80.3	139.6	172	-55.7	0	0	0	0	110.1	G127 P147 E150 S152 C161 P182	G127-C145 PolarHBondContact O-N 2.91Å; G127-C145 PolarHBondContact O-SG 3.34Å; C145-P147 WeakPolarHBondContact O-CD 3.43Å; C145-E150 HydrophobicContact CB-CB 3.94Å; C145-E150 WeakPolarHBondContact CB-O 3.46Å; C145-S152 VanDerWaalsContact SG-CB 3.53Å; C145-C161 WeakPolarHBondContact CA-SG 3.33Å; C145-C161 HydrophobicContact CB-CB 3.78Å; C145-C161 WeakPolarHBondContact CB-SG 3.41Å; C145-C161 WeakPolarHBondContact SG-CB 3.26Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 3.48Å; C145-P182 HydrophobicContact CB-CB 4.46Å
146	K	96.3	Very high	93.8	Very high	115 Å²	115	67.3 Å²	67.3	50%	0.5	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-70	117.7	-174.9	-171.2	-172.9	177	-161.2	0	110.8	G148 F149 E150	K146-G148 PolarHBondContact O-N 3.18Å; K146-F149 HydrophobicContact CB-CB 4.33Å; K146-F149 HydrophobicContact CD-CB 4.09Å; K146-F149 HydrophobicContact CD-CD2 3.63Å; K146-F149 HydrophobicContact CD-CE2 4.38Å; K146-F149 HydrophobicContact CD-CG 4.05Å; K146-F149 VanDerWaalsContact CE-CD2 3.47Å; K146-F149 HydrophobicContact CG-CB 4.36Å; K146-F149 HydrophobicContact CG-CD2 3.97Å; K146-F149 PolarHBondContact O-N 3.47Å; K146-E150 HydrophobicContact CB-CG 4.26Å; K146-E150 PolarHBondContact N-OE2 3.4Å; K146-E150 PolarHBondContact O-N 3.21Å
147	P	94.1	Very high	94.1	Very high	94 Å²	94	62.8 Å²	62.8	61%	0.61	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	135.5	-177.8	-25.4	33.8	0	0	0	112.6	C145 F149 P182	C145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-F149 VanDerWaalsContact O-CD2 3.29Å; P147-F149 WeakPolarHBondContact O-CD2 3.43Å; P147-F149 PolarHBondContact O-N 2.93Å; P147-P182 HydrophobicContact CB-CG 4.35Å; P147-P182 HydrophobicContact CG-CG 4.09Å
148	G	92.3	Very high	94.4	Very high	46 Å²	46	59.5 Å²	59.5	47%	0.474	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-3.1	-177.9	0	0	0	0	0	116	K146 C180	K146-G148 PolarHBondContact O-N 3.18Å; G148-C180 PolarHBondContact N-O 3.17Å
149	F	95.4	Very high	94.6	Very high	125 Å²	125	59.5 Å²	59.5	55%	0.548	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-30.1	-179.5	-64.1	-84.2	0	0	0	113.8	K146 P147 C164	K146-F149 HydrophobicContact CB-CB 4.33Å; K146-F149 HydrophobicContact CD-CB 4.09Å; K146-F149 HydrophobicContact CD-CD2 3.63Å; K146-F149 HydrophobicContact CD-CE2 4.38Å; K146-F149 HydrophobicContact CD-CG 4.05Å; K146-F149 VanDerWaalsContact CE-CD2 3.47Å; K146-F149 HydrophobicContact CG-CB 4.36Å; K146-F149 HydrophobicContact CG-CD2 3.97Å; K146-F149 PolarHBondContact O-N 3.47Å; P147-F149 VanDerWaalsContact O-CD2 3.29Å; P147-F149 WeakPolarHBondContact O-CD2 3.43Å; P147-F149 PolarHBondContact O-N 2.93Å; F149-C164 PolarHBondContact O-N 3.08Å; F149-C164 PolarHBondContact O-SG 3.33Å
150	E	97.7	Very high	94.8	Very high	37 Å²	37	63.1 Å²	63.1	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.3	179.4	-50.7	174.3	133.8	0	0	112.6	R143 C145 K146 C161 L162 C164	R143-E150 IonicContact CZ-OE1 3.16Å; R143-E150 IonicContact CZ-OE2 2.62Å; R143-E150 IonicContact NH1-OE1 2.81Å; R143-E150 IonicContact NH1-OE2 2.75Å; R143-E150 PolarHBondContact NH1-OE2 3.16Å; R143-E150 VanDerWaalsContact NH2-CD 3.35Å; R143-E150 IonicContact NH2-OE1 3.05Å; R143-E150 PolarHBondContact NH2-OE1 3.31Å; R143-E150 IonicContact NH2-OE2 2.59Å; R143-E150 PolarHBondContact NH2-OE2 3.15Å; C145-E150 HydrophobicContact CB-CB 3.94Å; C145-E150 WeakPolarHBondContact CB-O 3.46Å; K146-E150 HydrophobicContact CB-CG 4.26Å; K146-E150 PolarHBondContact N-OE2 3.4Å; K146-E150 PolarHBondContact O-N 3.21Å; E150-C161 HydrophobicContact CB-CB 3.92Å; E150-C161 HydrophobicContact CG-CB 4.48Å; E150-L162 CarbonylContact C-O 3.59Å; E150-L162 WeakPolarHBondContact CA-O 3.32Å; E150-L162 WeakPolarHBondContact CB-O 3.32Å; E150-C164 PolarHBondContact N-SG 2.93Å
151	F	97.8	Very high	95.1	Very high	20 Å²	20	63.1 Å²	63.1	9%	0.088	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.8	175.9	75.2	-77.4	0	0	0	113	P153 L162 T181 P182 D185	F151-P153 HydrophobicContact CD2-CB 4.45Å; F151-P153 HydrophobicContact CD2-CG 4.21Å; F151-P153 HydrophobicContact CE2-CG 3.97Å; F151-L162 HydrophobicContact CD1-CB 4.13Å; F151-L162 HydrophobicContact CE1-CB 3.72Å; F151-L162 HydrophobicContact CE2-CD1 4.08Å; F151-L162 HydrophobicContact CZ-CB 3.92Å; F151-L162 HydrophobicContact CZ-CD1 3.84Å; F151-L162 PolarHBondContact N-O 3.35Å; F151-L162 PolarHBondContact O-N 2.88Å; F151-T181 WeakPolarHBondContact CB-O 3.34Å; F151-P182 CarbonylContact C-O 3.51Å; F151-P182 VanDerWaalsContact CA-O 3.24Å; F151-P182 WeakPolarHBondContact CA-O 3.49Å; F151-D185 HydrophobicContact CD1-CB 4.08Å; F151-D185 HydrophobicContact CD2-CB 4.22Å; F151-D185 HydrophobicContact CE1-CB 3.64Å; F151-D185 HydrophobicContact CE2-CB 3.8Å; F151-D185 HydrophobicContact CG-CB 4.37Å; F151-D185 HydrophobicContact CZ-CB 3.5Å
152	S	97.5	Very high	95.2	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.035	33%	0.334	C	S	.	.			trans	-145.5	106.3	172.2	-177.6	0	0	0	0	109.2	P126 G127 N128 C145 P182	P126-S152 CarbonylContact C-O 3.56Å; P126-S152 WeakPolarHBondContact CA-O 3.32Å; G127-S152 PolarHBondContact N-O 2.98Å; N128-S152 WeakPolarHBondContact O-CB 3.4Å; N128-S152 PolarHBondContact O-OG 3.27Å; C145-S152 VanDerWaalsContact SG-CB 3.53Å; S152-P182 PolarHBondContact N-O 3.38Å
153	P	96.1	Very high	95.2	Very high	42 Å²	42	69.5 Å²	69.5	27%	0.273	35%	0.352	S	S	.	.			trans	-87.7	-21.2	-169.4	32.2	-33.9	0	0	0	114.6	F151 V183	F151-P153 HydrophobicContact CD2-CB 4.45Å; F151-P153 HydrophobicContact CD2-CG 4.21Å; F151-P153 HydrophobicContact CE2-CG 3.97Å; P153-V183 WeakPolarHBondContact CA-O 3.45Å; P153-V183 WeakPolarHBondContact CB-O 3.43Å
154	F	94.3	Very high	95.2	Very high	156 Å²	156	67 Å²	67	68%	0.684	35%	0.346	S	S	*	.	S	Bend	trans	-130.5	146.9	-171.6	-53.6	-57.8	0	0	0	111	S156	F154-S156 PolarHBondContact O-N 3.12Å
155	R	95.2	Very high	95	Very high	74 Å²	74	67.1 Å²	67.1	28%	0.279	33%	0.334	S	S	.	.			trans	-63.7	123.1	175.6	-177.2	179.8	-75	-154	27.8	110.4	L107 E108 K123 C124 E125	L107-R155 WeakPolarHBondContact O-CD 3.45Å; E108-R155 IonicContact OE1-CZ 3.66Å; E108-R155 IonicContact OE1-NH1 2.7Å; E108-R155 PolarHBondContact OE1-NH1 3.12Å; E108-R155 IonicContact OE1-NH2 3.44Å; E108-R155 PolarHBondContact OE1-NH2 3.49Å; E108-R155 IonicContact OE2-NH1 3.32Å; K123-R155 HydrophobicContact CB-CG 3.42Å; K123-R155 VanDerWaalsContact CB-CG 3.42Å; K123-R155 HydrophobicContact CD-CG 3.95Å; K123-R155 HydrophobicContact CG-CG 4.37Å; C124-R155 CarbonylContact O-C 3.57Å; C124-R155 WeakPolarHBondContact O-CA 3.28Å; C124-R155 WeakPolarHBondContact O-CG 3.44Å; E125-R155 VanDerWaalsContact CD-NH2 3.27Å; E125-R155 IonicContact OE1-CZ 2.71Å; E125-R155 IonicContact OE1-NE 2.72Å; E125-R155 PolarHBondContact OE1-NE 3.31Å; E125-R155 VanDerWaalsContact OE1-NE 3.16Å; E125-R155 IonicContact OE1-NH1 3.07Å; E125-R155 PolarHBondContact OE1-NH1 3.32Å; E125-R155 VanDerWaalsContact OE1-NH1 3.09Å; E125-R155 IonicContact OE1-NH2 2.93Å; E125-R155 PolarHBondContact OE1-NH2 3.45Å; E125-R155 IonicContact OE2-CZ 2.68Å; E125-R155 IonicContact OE2-NE 3.65Å; E125-R155 PolarHBondContact OE2-NE 2.68Å; E125-R155 IonicContact OE2-NH2 3.68Å; E125-R155 PolarHBondContact OE2-NH2 3.26Å
156	S	92.6	Very high	94.9	Very high	12 Å²	12	73.9 Å²	73.9	8%	0.084	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-152.5	140.5	-177.3	-173.4	0	0	0	0	114.1	C124 F154 T158 K159	C124-S156 WeakPolarHBondContact CB-O 3.49Å; C124-S156 PolarHBondContact N-O 3.17Å; C124-S156 PolarHBondContact O-N 3.13Å; F154-S156 PolarHBondContact O-N 3.12Å; S156-T158 PolarHBondContact OG-N 3.45Å; S156-T158 PolarHBondContact OG-OG1 2.87Å; S156-K159 WeakPolarHBondContact OG-CB 3.26Å; S156-K159 WeakPolarHBondContact OG-CG 3.49Å; S156-K159 PolarHBondContact OG-N 3.32Å; S156-K159 VanDerWaalsContact OG-N 3.08Å
157	A	88	Confident	94.8	Very high	3 Å²	3	68.4 Å²	68.4	3%	0.025	34%	0.335	C	S	.	.	S	Bend	trans	-86.5	-12.8	174.4	0	0	0	0	0	113.4	F110 K123 M130 L133	F110-A157 HydrophobicContact CB-CB 3.92Å; F110-A157 HydrophobicContact CD1-CB 3.72Å; F110-A157 HydrophobicContact CG-CB 4.11Å; K123-A157 HydrophobicContact CB-CB 4.34Å; K123-A157 HydrophobicContact CG-CB 3.83Å; M130-A157 VanDerWaalsContact CG-O 3.28Å; M130-A157 WeakPolarHBondContact CG-O 3.49Å; L133-A157 WeakPolarHBondContact CD1-O 3.27Å
158	T	89.5	Confident	94.8	Very high	62 Å²	62	69.7 Å²	69.7	38%	0.38	33%	0.333	S	S	.	.	S	Bend	trans	-122.3	-28.2	-171.4	56.1	0	0	0	0	113.5	F110 M130 L133 S156	F110-T158 HydrophobicContact CE1-CG2 4.05Å; F110-T158 HydrophobicContact CZ-CG2 4.4Å; M130-T158 WeakPolarHBondContact CE-O 3.39Å; L133-T158 HydrophobicContact CD1-CG2 4.29Å; S156-T158 PolarHBondContact OG-N 3.45Å; S156-T158 PolarHBondContact OG-OG1 2.87Å
159	K	93.9	Very high	94.8	Very high	99 Å²	99	73.8 Å²	73.8	43%	0.43	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-77	127.9	-178.5	-65	171.5	-176.8	166.6	0	110	E80 M130 S156	E80-K159 IonicContact OE1-NZ 3.92Å; E80-K159 PolarHBondContact OE1-NZ 3.28Å; E80-K159 IonicContact OE2-NZ 2.75Å; M130-K159 WeakPolarHBondContact CB-O 3.31Å; M130-K159 PolarHBondContact N-O 3.47Å; S156-K159 WeakPolarHBondContact OG-CB 3.26Å; S156-K159 WeakPolarHBondContact OG-CG 3.49Å; S156-K159 PolarHBondContact OG-N 3.32Å; S156-K159 VanDerWaalsContact OG-N 3.08Å
160	K	96.1	Very high	94.6	Very high	131 Å²	131	70 Å²	70	57%	0.57	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-82.4	166.5	171.8	-51.7	-166.9	176.6	176.2	0	109.2	M130 L162	M130-K160 HydrophobicContact CE-CD 4.33Å; M130-K160 HydrophobicContact CE-CG 3.86Å; M130-K160 WeakPolarHBondContact O-CG 3.35Å; K160-L162 PolarHBondContact O-N 3.11Å
161	C	97.3	Very high	94.4	Very high	14 Å²	14	70.5 Å²	70.5	10%	0.095	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-55.6	132.1	168.3	-61.8	0	0	0	0	110.3	G129 C145 E150	G129-C161 PolarHBondContact N-SG 3.17Å; C145-C161 WeakPolarHBondContact CA-SG 3.33Å; C145-C161 HydrophobicContact CB-CB 3.78Å; C145-C161 WeakPolarHBondContact CB-SG 3.41Å; C145-C161 WeakPolarHBondContact SG-CB 3.26Å; C145-C161 CovalentContact SG-SG 2.04Å; C145-C161 PolarHBondContact SG-SG 3.48Å; E150-C161 HydrophobicContact CB-CB 3.92Å; E150-C161 HydrophobicContact CG-CB 4.48Å
162	L	97.1	Very high	94.2	Very high	90 Å²	90	75.2 Å²	75.2	47%	0.471	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	149	177.2	-59.1	176.3	0	0	0	109.3	E150 F151 K160	E150-L162 CarbonylContact C-O 3.59Å; E150-L162 WeakPolarHBondContact CA-O 3.32Å; E150-L162 WeakPolarHBondContact CB-O 3.32Å; F151-L162 HydrophobicContact CD1-CB 4.13Å; F151-L162 HydrophobicContact CE1-CB 3.72Å; F151-L162 HydrophobicContact CE2-CD1 4.08Å; F151-L162 HydrophobicContact CZ-CB 3.92Å; F151-L162 HydrophobicContact CZ-CD1 3.84Å; F151-L162 PolarHBondContact N-O 3.35Å; F151-L162 PolarHBondContact O-N 2.88Å; K160-L162 PolarHBondContact O-N 3.11Å
163	Q	96.7	Very high	94.1	Very high	163 Å²	163	77.4 Å²	77.4	76%	0.762	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.7	173.4	-68	-174.4	5.4	0	0	110.4
164	C	96.4	Very high	94.1	Very high	20 Å²	20	75.5 Å²	75.5	14%	0.135	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-65	140.4	173.3	-58.1	0	0	0	0	111	F149 E150 C180 D185	F149-C164 PolarHBondContact O-N 3.08Å; F149-C164 PolarHBondContact O-SG 3.33Å; E150-C164 PolarHBondContact N-SG 2.93Å; C164-C180 HydrophobicContact CB-CB 3.47Å; C164-C180 VanDerWaalsContact CB-CB 3.47Å; C164-C180 WeakPolarHBondContact CB-SG 3.26Å; C164-C180 WeakPolarHBondContact SG-CB 3.35Å; C164-C180 CovalentContact SG-SG 2.01Å; C164-C180 PolarHBondContact SG-SG 3.04Å; C164-D185 WeakPolarHBondContact CA-OD1 3.41Å
165	R	93.9	Very high	94.1	Very high	97 Å²	97	73.6 Å²	73.6	37%	0.366	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.7	143.6	177.4	-161.2	-177.8	-41.4	-176.3	10.1	111.6	L170 D185 T186	R165-L170 HydrophobicContact CG-CD2 4.5Å; R165-L170 HydrophobicContact CG-CG 4.47Å; R165-D185 WeakPolarHBondContact CB-OD1 3.4Å; R165-D185 IonicContact CZ-OD2 2.8Å; R165-D185 VanDerWaalsContact CZ-OD2 3.32Å; R165-D185 PolarHBondContact N-OD1 3.2Å; R165-D185 IonicContact NE-OD2 2.98Å; R165-D185 PolarHBondContact NE-OD2 3.06Å; R165-D185 VanDerWaalsContact NE-OD2 3.07Å; R165-D185 IonicContact NH2-OD2 3.09Å; R165-D185 PolarHBondContact NH2-OD2 3.47Å; R165-T186 VanDerWaalsContact O-CB 3.22Å; R165-T186 WeakPolarHBondContact O-CB 3.41Å; R165-T186 PolarHBondContact O-OG1 2.9Å
166	R	94.6	Very high	94.2	Very high	146 Å²	146	73.3 Å²	73.3	55%	0.551	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-99.1	132.1	166.5	-55.5	-162.9	-172.6	108.4	3.4	109.2	E169	R166-E169 HydrophobicContact CB-CB 4.29Å; R166-E169 HydrophobicContact CB-CG 3.93Å; R166-E169 WeakPolarHBondContact CD-OE1 3.5Å; R166-E169 IonicContact CZ-OE1 3.08Å; R166-E169 IonicContact NE-OE1 3.16Å; R166-E169 IonicContact NH1-OE1 2.82Å; R166-E169 PolarHBondContact NH1-OE1 2.87Å
167	C	94.9	Very high	94.3	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-74.6	-34.8	-175.3	-61.7	0	0	0	0	111.5	E169 L170 H171 A174 C188	C167-E169 PolarHBondContact O-N 3.02Å; C167-L170 WeakPolarHBondContact O-CB 3.29Å; C167-L170 PolarHBondContact O-N 3.42Å; C167-H171 PolarHBondContact O-N 2.91Å; C167-A174 HydrophobicContact CB-CB 4.22Å; C167-A174 WeakPolarHBondContact O-CB 3.43Å; C167-C188 WeakPolarHBondContact CA-SG 3.22Å; C167-C188 HydrophobicContact CB-CB 3.78Å; C167-C188 WeakPolarHBondContact CB-SG 3.32Å; C167-C188 WeakPolarHBondContact SG-CA 3.48Å; C167-C188 WeakPolarHBondContact SG-CB 3.39Å; C167-C188 CovalentContact SG-SG 2.04Å; C167-C188 PolarHBondContact SG-SG 3.46Å
168	E	93	Very high	94.6	Very high	121 Å²	121	81.6 Å²	81.6	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.1	179.1	-56	76.4	-169	0	0	112.3
169	E	92.2	Very high	94.9	Very high	132 Å²	132	86.5 Å²	86.5	62%	0.617	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-21.6	175.6	-67.7	176.8	-177.2	0	0	112.9	R166 C167	R166-E169 HydrophobicContact CB-CB 4.29Å; R166-E169 HydrophobicContact CB-CG 3.93Å; R166-E169 WeakPolarHBondContact CD-OE1 3.5Å; R166-E169 IonicContact CZ-OE1 3.08Å; R166-E169 IonicContact NE-OE1 3.16Å; R166-E169 IonicContact NH1-OE1 2.82Å; R166-E169 PolarHBondContact NH1-OE1 2.87Å; C167-E169 PolarHBondContact O-N 3.02Å
170	L	91.8	Very high	95	Very high	45 Å²	45	82.3 Å²	82.3	24%	0.236	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-48.5	173.7	-66.5	-172.8	0	0	0	111.6	R165 C167 C188 M196 Q201	R165-L170 HydrophobicContact CG-CD2 4.5Å; R165-L170 HydrophobicContact CG-CG 4.47Å; C167-L170 WeakPolarHBondContact O-CB 3.29Å; C167-L170 PolarHBondContact O-N 3.42Å; L170-C188 HydrophobicContact CD1-CB 4.39Å; L170-M196 HydrophobicContact CD1-CE 4.04Å; L170-M196 HydrophobicContact CD1-SD 4.3Å; L170-Q201 HydrophobicContact CD2-CB 4.18Å
171	H	93.8	Very high	95.1	Very high	48 Å²	48	78.8 Å²	78.8	22%	0.222	38%	0.383	C	S	.	.			trans	-161.2	143.2	-178.7	-165.5	-100.1	0	0	0	110.8	C167 L173 A174 T202 C203	C167-H171 PolarHBondContact O-N 2.91Å; H171-L173 PolarHBondContact ND1-N 3.09Å; H171-L173 PolarHBondContact O-N 2.87Å; H171-A174 HydrophobicContact CB-CB 4.09Å; H171-A174 WeakPolarHBondContact O-CB 3.41Å; H171-A174 PolarHBondContact O-N 3.34Å; H171-T202 PolarHBondContact CD2-OG1 3.28Å; H171-T202 VanDerWaalsContact CD2-OG1 3.26Å; H171-C203 HydrophobicContact CB-CB 4.3Å; H171-C203 WeakPolarHBondContact ND1-CB 3.46Å
172	P	93.9	Very high	95	Very high	120 Å²	120	80.1 Å²	80.1	78%	0.779	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.4	179	-27.1	35.8	0	0	0	115.4
173	L	94.8	Very high	95.1	Very high	51 Å²	51	78.8 Å²	78.8	27%	0.267	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	2.1	177.2	-54	179.2	0	0	0	113.9	H171 C190 E191 Y194	H171-L173 PolarHBondContact ND1-N 3.09Å; H171-L173 PolarHBondContact O-N 2.87Å; L173-C190 WeakPolarHBondContact O-CA 3.5Å; L173-E191 PolarHBondContact O-N 3.16Å; L173-Y194 HydrophobicContact CD1-CD1 4.37Å; L173-Y194 HydrophobicContact CD1-CD2 3.89Å; L173-Y194 HydrophobicContact CD1-CE1 4.18Å; L173-Y194 HydrophobicContact CD1-CE2 3.66Å; L173-Y194 HydrophobicContact CD1-CG 4.28Å
174	A	96	Very high	95	Very high	2 Å²	2	74.4 Å²	74.4	2%	0.017	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.7	179.4	0	0	0	0	0	110.8	C167 H171 M196	C167-A174 HydrophobicContact CB-CB 4.22Å; C167-A174 WeakPolarHBondContact O-CB 3.43Å; H171-A174 HydrophobicContact CB-CB 4.09Å; H171-A174 WeakPolarHBondContact O-CB 3.41Å; H171-A174 PolarHBondContact O-N 3.34Å; A174-M196 HydrophobicContact CB-CE 3.55Å
175	K	95.2	Very high	95	Very high	116 Å²	116	74.9 Å²	74.9	50%	0.504	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152	180	-73.3	-178.4	162.8	174.3	0	110.7	R177 C188 Q189 E191	K175-R177 PolarHBondContact O-N 3.16Å; K175-C188 CarbonylContact O-C 3.45Å; K175-C188 WeakPolarHBondContact O-CA 3.07Å; K175-Q189 PolarHBondContact N-O 2.87Å; K175-Q189 PolarHBondContact O-N 3.31Å; K175-Q189 VanDerWaalsContact O-O 3.13Å; K175-E191 HydrophobicContact CD-CG 4.06Å; K175-E191 WeakPolarHBondContact CE-OE1 3.31Å; K175-E191 IonicContact NZ-OE1 2.8Å; K175-E191 PolarHBondContact NZ-OE1 2.84Å
176	T	95.7	Very high	95.1	Very high	67 Å²	67	70.9 Å²	70.9	41%	0.411	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	123.1	170.9	-59	0	0	0	0	110.4	E179 T186	T176-E179 HydrophobicContact CG2-CG 4.37Å; T176-T186 HydrophobicContact CG2-CG2 3.81Å
177	R	94.9	Very high	95.1	Very high	113 Å²	113	67.1 Å²	67.1	43%	0.426	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-45.8	173.7	-178.6	-164.8	162.7	102.1	-11	111	K175 I187 Q189 W221	K175-R177 PolarHBondContact O-N 3.16Å; R177-I187 WeakPolarHBondContact CA-O 3.49Å; R177-I187 WeakPolarHBondContact CB-O 3.23Å; R177-I187 PolarHBondContact N-O 3.37Å; R177-Q189 HydrophobicContact CB-CB 3.78Å; R177-Q189 HydrophobicContact CG-CB 4.21Å; R177-W221 VanDerWaalsContact NH1-CD1 3.33Å
178	N	95.4	Very high	95.1	Very high	77 Å²	77	67.5 Å²	67.5	41%	0.412	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.7	173	-62.9	78.8	0	0	0	108.4	I187	N178-I187 HydrophobicContact CB-CB 3.92Å; N178-I187 HydrophobicContact CB-CD1 4.14Å; N178-I187 HydrophobicContact CB-CG1 4.08Å; N178-I187 PolarHBondContact N-O 3.19Å; N178-I187 VanDerWaalsContact N-O 3.12Å; N178-I187 PolarHBondContact O-N 2.95Å
179	E	95.5	Very high	95.3	Very high	164 Å²	164	64.6 Å²	64.6	77%	0.766	34%	0.337	S	S	*	.			trans	-66.3	152.5	175.1	-61	-176.8	170.5	0	0	111.4	T176	T176-E179 HydrophobicContact CG2-CG 4.37Å
180	C	96.6	Very high	95.4	Very high	11 Å²	11	58.5 Å²	58.5	7%	0.074	31%	0.31	C	S	.	.			trans	-71.7	130.7	178.4	-167	0	0	0	0	111.8	G148 C164 T184	G148-C180 PolarHBondContact N-O 3.17Å; C164-C180 HydrophobicContact CB-CB 3.47Å; C164-C180 VanDerWaalsContact CB-CB 3.47Å; C164-C180 WeakPolarHBondContact CB-SG 3.26Å; C164-C180 WeakPolarHBondContact SG-CB 3.35Å; C164-C180 CovalentContact SG-SG 2.01Å; C164-C180 PolarHBondContact SG-SG 3.04Å; C180-T184 WeakPolarHBondContact CA-O 3.33Å; C180-T184 PolarHBondContact SG-O 2.9Å
181	T	96.9	Very high	95.6	Very high	58 Å²	58	60.3 Å²	60.3	36%	0.356	32%	0.317	S	S	.	.			trans	-107.2	164.7	174.3	79.6	0	0	0	0	109.7	F151 V183 T184	F151-T181 WeakPolarHBondContact CB-O 3.34Å; T181-V183 PolarHBondContact O-N 3.41Å; T181-V183 PolarHBondContact OG1-N 3.02Å; T181-T184 PolarHBondContact N-O 3.4Å; T181-T184 PolarHBondContact O-N 3.48Å; T181-T184 VanDerWaalsContact O-O 3.08Å; T181-T184 PolarHBondContact OG1-N 3.27Å; T181-T184 PolarHBondContact OG1-OG1 3.39Å
182	P	96.9	Very high	95.5	Very high	42 Å²	42	67.1 Å²	67.1	27%	0.273	35%	0.346	S	S	.	.	S	Bend	trans	-55.6	-20	174.3	-27.4	36.8	0	0	0	114.4	G127 C145 P147 F151 S152	G127-P182 VanDerWaalsContact CA-O 3.28Å; G127-P182 WeakPolarHBondContact CA-O 3.44Å; C145-P182 HydrophobicContact CB-CB 4.46Å; P147-P182 HydrophobicContact CB-CG 4.35Å; P147-P182 HydrophobicContact CG-CG 4.09Å; F151-P182 CarbonylContact C-O 3.51Å; F151-P182 VanDerWaalsContact CA-O 3.24Å; F151-P182 WeakPolarHBondContact CA-O 3.49Å; S152-P182 PolarHBondContact N-O 3.38Å
183	V	97.1	Very high	95.4	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.376	33%	0.328	S	S	.	.	S	Bend	trans	-101.5	-31.1	179.7	-175.1	0	0	0	0	112.3	P126 P153 T181	P126-V183 HydrophobicContact CB-CG1 4.04Å; P153-V183 WeakPolarHBondContact CA-O 3.45Å; P153-V183 WeakPolarHBondContact CB-O 3.43Å; T181-V183 PolarHBondContact O-N 3.41Å; T181-V183 PolarHBondContact OG1-N 3.02Å
184	T	96.4	Very high	95.4	Very high	71 Å²	71	65 Å²	65	44%	0.436	33%	0.327	S	S	.	.	S	Bend	trans	-126.8	133.9	-168.8	63	0	0	0	0	112.8	C180 T181	C180-T184 WeakPolarHBondContact CA-O 3.33Å; C180-T184 PolarHBondContact SG-O 2.9Å; T181-T184 PolarHBondContact N-O 3.4Å; T181-T184 PolarHBondContact O-N 3.48Å; T181-T184 VanDerWaalsContact O-O 3.08Å; T181-T184 PolarHBondContact OG1-N 3.27Å; T181-T184 PolarHBondContact OG1-OG1 3.39Å
185	D	96.3	Very high	95.4	Very high	29 Å²	29	66.3 Å²	66.3	16%	0.155	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-58.9	163	172.3	-161.8	10.1	0	0	0	112.5	F151 C164 R165 I187	F151-D185 HydrophobicContact CD1-CB 4.08Å; F151-D185 HydrophobicContact CD2-CB 4.22Å; F151-D185 HydrophobicContact CE1-CB 3.64Å; F151-D185 HydrophobicContact CE2-CB 3.8Å; F151-D185 HydrophobicContact CG-CB 4.37Å; F151-D185 HydrophobicContact CZ-CB 3.5Å; C164-D185 WeakPolarHBondContact CA-OD1 3.41Å; R165-D185 WeakPolarHBondContact CB-OD1 3.4Å; R165-D185 IonicContact CZ-OD2 2.8Å; R165-D185 VanDerWaalsContact CZ-OD2 3.32Å; R165-D185 PolarHBondContact N-OD1 3.2Å; R165-D185 IonicContact NE-OD2 2.98Å; R165-D185 PolarHBondContact NE-OD2 3.06Å; R165-D185 VanDerWaalsContact NE-OD2 3.07Å; R165-D185 IonicContact NH2-OD2 3.09Å; R165-D185 PolarHBondContact NH2-OD2 3.47Å; D185-I187 PolarHBondContact O-N 2.76Å
186	T	95.2	Very high	95.4	Very high	13 Å²	13	61.2 Å²	61.2	8%	0.08	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.8	168.8	-46.3	0	0	0	0	110.3	R165 T176	R165-T186 VanDerWaalsContact O-CB 3.22Å; R165-T186 WeakPolarHBondContact O-CB 3.41Å; R165-T186 PolarHBondContact O-OG1 2.9Å; T176-T186 HydrophobicContact CG2-CG2 3.81Å
187	I	95.3	Very high	95.4	Very high	67 Å²	67	58.6 Å²	58.6	34%	0.344	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.5	169.5	-52	179.9	0	0	0	108.4	R177 N178 D185 W221	R177-I187 WeakPolarHBondContact CA-O 3.49Å; R177-I187 WeakPolarHBondContact CB-O 3.23Å; R177-I187 PolarHBondContact N-O 3.37Å; N178-I187 HydrophobicContact CB-CB 3.92Å; N178-I187 HydrophobicContact CB-CD1 4.14Å; N178-I187 HydrophobicContact CB-CG1 4.08Å; N178-I187 PolarHBondContact N-O 3.19Å; N178-I187 VanDerWaalsContact N-O 3.12Å; N178-I187 PolarHBondContact O-N 2.95Å; D185-I187 PolarHBondContact O-N 2.76Å; I187-W221 HydrophobicContact CG2-CE3 4.23Å; I187-W221 HydrophobicContact CG2-CH2 3.86Å; I187-W221 HydrophobicContact CG2-CZ3 3.43Å; I187-W221 VanDerWaalsContact CG2-CZ3 3.43Å
188	C	95.3	Very high	95.1	Very high	8 Å²	8	58.8 Å²	58.8	5%	0.054	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	148.4	179.7	-57.8	0	0	0	0	111.8	C167 L170 K175 M196	C167-C188 WeakPolarHBondContact CA-SG 3.22Å; C167-C188 HydrophobicContact CB-CB 3.78Å; C167-C188 WeakPolarHBondContact CB-SG 3.32Å; C167-C188 WeakPolarHBondContact SG-CA 3.48Å; C167-C188 WeakPolarHBondContact SG-CB 3.39Å; C167-C188 CovalentContact SG-SG 2.04Å; C167-C188 PolarHBondContact SG-SG 3.46Å; L170-C188 HydrophobicContact CD1-CB 4.39Å; K175-C188 CarbonylContact O-C 3.45Å; K175-C188 WeakPolarHBondContact O-CA 3.07Å; C188-M196 HydrophobicContact CB-CE 3.85Å
189	Q	95.6	Very high	94.9	Very high	60 Å²	60	64.2 Å²	64.2	28%	0.28	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.1	173	169.6	168.4	-10.7	0	0	109.6	K175 R177 W221	K175-Q189 PolarHBondContact N-O 2.87Å; K175-Q189 PolarHBondContact O-N 3.31Å; K175-Q189 VanDerWaalsContact O-O 3.13Å; R177-Q189 HydrophobicContact CB-CB 3.78Å; R177-Q189 HydrophobicContact CG-CB 4.21Å; Q189-W221 HydrophobicContact CB-CB 4.29Å; Q189-W221 VanDerWaalsContact CD-CB 3.46Å; Q189-W221 HydrophobicContact CG-CB 3.75Å
190	C	96	Very high	94.8	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	152.5	175.3	-57.7	0	0	0	0	112.4	L173 Y195 M196 C203	L173-C190 WeakPolarHBondContact O-CA 3.5Å; C190-Y195 VanDerWaalsContact SG-C 3.51Å; C190-M196 VanDerWaalsContact SG-CA 3.59Å; C190-M196 PolarHBondContact SG-N 3.17Å; C190-C203 HydrophobicContact CB-CB 3.78Å; C190-C203 WeakPolarHBondContact CB-SG 3.5Å; C190-C203 WeakPolarHBondContact SG-CA 3.41Å; C190-C203 WeakPolarHBondContact SG-CB 3.42Å; C190-C203 CovalentContact SG-SG 2.03Å; C190-C203 PolarHBondContact SG-SG 2.78Å
191	E	94.4	Very high	94.5	Very high	83 Å²	83	64.2 Å²	64.2	39%	0.388	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.3	146.5	164.9	-63.9	-163.1	147.5	0	0	111.2	L173 K175 Y194	L173-E191 PolarHBondContact O-N 3.16Å; K175-E191 HydrophobicContact CD-CG 4.06Å; K175-E191 WeakPolarHBondContact CE-OE1 3.31Å; K175-E191 IonicContact NZ-OE1 2.8Å; K175-E191 PolarHBondContact NZ-OE1 2.84Å; E191-Y194 WeakPolarHBondContact O-CA 3.3Å; E191-Y194 VanDerWaalsContact O-CB 3.31Å; E191-Y194 WeakPolarHBondContact O-CB 3.48Å; E191-Y194 WeakPolarHBondContact O-CD2 3.49Å; E191-Y194 PolarHBondContact O-N 3.39Å
192	K	92.7	Very high	94.4	Very high	191 Å²	191	63.1 Å²	63.1	83%	0.83	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	142.7	172	-68	-172.9	176.3	-173.2	0	109.7
193	P	91.8	Very high	94.4	Very high	62 Å²	62	61.6 Å²	61.6	40%	0.403	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	cis	-98	52.5	6.3	39.6	-36.6	0	0	0	113.5	C206 Q550	P193-C206 VanDerWaalsContact C-SG 3.59Å; P193-C206 WeakPolarHBondContact O-CB 3.45Å; P193-C206 PolarHBondContact O-N 3.46Å; P193-C206 PolarHBondContact O-SG 3.32Å; P193-Q550 VanDerWaalsContact CD-NE2 3.26Å
194	Y	94.6	Very high	94.3	Very high	64 Å²	64	61.3 Å²	61.3	25%	0.251	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.7	177.7	-56.9	-103.5	0	0	0	111.8	L173 E191 K204 P205	L173-Y194 HydrophobicContact CD1-CD1 4.37Å; L173-Y194 HydrophobicContact CD1-CD2 3.89Å; L173-Y194 HydrophobicContact CD1-CE1 4.18Å; L173-Y194 HydrophobicContact CD1-CE2 3.66Å; L173-Y194 HydrophobicContact CD1-CG 4.28Å; E191-Y194 WeakPolarHBondContact O-CA 3.3Å; E191-Y194 VanDerWaalsContact O-CB 3.31Å; E191-Y194 WeakPolarHBondContact O-CB 3.48Å; E191-Y194 WeakPolarHBondContact O-CD2 3.49Å; E191-Y194 PolarHBondContact O-N 3.39Å; Y194-K204 CarbonylContact C-O 3.47Å; Y194-K204 WeakPolarHBondContact CA-O 3.49Å; Y194-K204 VanDerWaalsContact CB-O 3.3Å; Y194-K204 WeakPolarHBondContact CB-O 3.09Å; Y194-P205 HydrophobicContact CD1-CB 4.09Å; Y194-P205 HydrophobicContact CE1-CB 3.98Å
195	Y	95.2	Very high	94.2	Very high	29 Å²	29	62 Å²	62	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.2	170.1	75	-81.1	0	0	0	111	C190 S197 C203 K204 G220 D224	C190-Y195 VanDerWaalsContact SG-C 3.51Å; Y195-S197 PolarHBondContact O-N 2.8Å; Y195-C203 WeakPolarHBondContact O-CA 3.27Å; Y195-K204 HydrophobicContact CD1-CB 4.14Å; Y195-K204 WeakPolarHBondContact CD1-O 3.4Å; Y195-K204 HydrophobicContact CE1-CB 3.51Å; Y195-K204 PolarHBondContact N-O 3.43Å; Y195-K204 PolarHBondContact O-N 2.87Å; Y195-G220 WeakPolarHBondContact CB-O 2.91Å; Y195-D224 HydrophobicContact CD1-CB 4.18Å; Y195-D224 HydrophobicContact CE1-CB 3.6Å; Y195-D224 HydrophobicContact CE2-CB 4.16Å
196	M	95.8	Very high	94.1	Very high	9 Å²	9	61.8 Å²	61.8	4%	0.044	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.9	176.9	-179.4	55.3	72	0	0	110.1	L170 A174 C188 C190 E198 W221 N222	L170-M196 HydrophobicContact CD1-CE 4.04Å; L170-M196 HydrophobicContact CD1-SD 4.3Å; A174-M196 HydrophobicContact CB-CE 3.55Å; C188-M196 HydrophobicContact CB-CE 3.85Å; C190-M196 VanDerWaalsContact SG-CA 3.59Å; C190-M196 PolarHBondContact SG-N 3.17Å; M196-E198 PolarHBondContact O-N 3.31Å; M196-W221 WeakPolarHBondContact CB-O 3.47Å; M196-W221 PolarHBondContact N-O 2.98Å; M196-N222 CarbonylContact O-C 3.47Å; M196-N222 VanDerWaalsContact O-CA 3.27Å; M196-N222 WeakPolarHBondContact O-CA 3.43Å
197	S	95.4	Very high	94	Very high	12 Å²	12	64.4 Å²	64.4	8%	0.084	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106.3	175.8	-172.2	0	0	0	0	110.2	Y195 K199 E200 Q201 T202	Y195-S197 PolarHBondContact O-N 2.8Å; S197-K199 PolarHBondContact O-N 3.46Å; S197-E200 PolarHBondContact O-N 3.1Å; S197-Q201 WeakPolarHBondContact O-CA 3.32Å; S197-Q201 PolarHBondContact O-N 2.96Å; S197-T202 PolarHBondContact N-O 2.88Å
198	E	89.6	Confident	93.7	Very high	118 Å²	118	65.2 Å²	65.2	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.6	178.4	-67.7	178.2	-168	0	0	113.2	M196 Q201 N222	M196-E198 PolarHBondContact O-N 3.31Å; E198-Q201 PolarHBondContact O-NE2 3.48Å; E198-N222 HydrophobicContact CG-CB 4.44Å; E198-N222 PolarHBondContact OE1-ND2 3.22Å
199	K	90.8	Very high	93.6	Very high	190 Å²	190	65.2 Å²	65.2	83%	0.826	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.9	179	-174.7	-179.6	177.7	-175.5	0	113.3	S197	S197-K199 PolarHBondContact O-N 3.46Å
200	E	92.2	Very high	93.4	Very high	105 Å²	105	68.9 Å²	68.9	49%	0.491	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-0.6	-174.6	-72.5	171.3	-136.2	0	0	113.1	S197 T202 K204	S197-E200 PolarHBondContact O-N 3.1Å; E200-T202 HydrophobicContact CB-CG2 3.88Å; E200-T202 PolarHBondContact O-N 3.43Å; E200-K204 IonicContact OE1-NZ 3.54Å; E200-K204 PolarHBondContact OE1-NZ 3.36Å; E200-K204 WeakPolarHBondContact OE2-CE 3.28Å; E200-K204 IonicContact OE2-NZ 2.72Å; E200-K204 PolarHBondContact OE2-NZ 2.66Å
201	Q	91.1	Very high	93.1	Very high	70 Å²	70	72.2 Å²	72.2	33%	0.327	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	38.4	178.4	-66.1	-64.8	-46.2	0	0	113.3	L170 S197 E198	L170-Q201 HydrophobicContact CD2-CB 4.18Å; S197-Q201 WeakPolarHBondContact O-CA 3.32Å; S197-Q201 PolarHBondContact O-N 2.96Å; E198-Q201 PolarHBondContact O-NE2 3.48Å
202	T	95.2	Very high	93	Very high	36 Å²	36	68.6 Å²	68.6	22%	0.221	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.9	-174.3	-168.6	0	0	0	0	111.9	H171 S197 E200	H171-T202 PolarHBondContact CD2-OG1 3.28Å; H171-T202 VanDerWaalsContact CD2-OG1 3.26Å; S197-T202 PolarHBondContact N-O 2.88Å; E200-T202 HydrophobicContact CB-CG2 3.88Å; E200-T202 PolarHBondContact O-N 3.43Å
203	C	96	Very high	93	Very high	10 Å²	10	61.8 Å²	61.8	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123	175.9	-65.9	0	0	0	0	111.6	H171 C190 Y195	H171-C203 HydrophobicContact CB-CB 4.3Å; H171-C203 WeakPolarHBondContact ND1-CB 3.46Å; C190-C203 HydrophobicContact CB-CB 3.78Å; C190-C203 WeakPolarHBondContact CB-SG 3.5Å; C190-C203 WeakPolarHBondContact SG-CA 3.41Å; C190-C203 WeakPolarHBondContact SG-CB 3.42Å; C190-C203 CovalentContact SG-SG 2.03Å; C190-C203 PolarHBondContact SG-SG 2.78Å; Y195-C203 WeakPolarHBondContact O-CA 3.27Å
204	K	96.1	Very high	92.9	Very high	56 Å²	56	58.9 Å²	58.9	24%	0.243	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.5	173.6	-69.8	-162.7	177.5	-162.5	0	111.2	Y194 Y195 E200	Y194-K204 CarbonylContact C-O 3.47Å; Y194-K204 WeakPolarHBondContact CA-O 3.49Å; Y194-K204 VanDerWaalsContact CB-O 3.3Å; Y194-K204 WeakPolarHBondContact CB-O 3.09Å; Y195-K204 HydrophobicContact CD1-CB 4.14Å; Y195-K204 WeakPolarHBondContact CD1-O 3.4Å; Y195-K204 HydrophobicContact CE1-CB 3.51Å; Y195-K204 PolarHBondContact N-O 3.43Å; Y195-K204 PolarHBondContact O-N 2.87Å; E200-K204 IonicContact OE1-NZ 3.54Å; E200-K204 PolarHBondContact OE1-NZ 3.36Å; E200-K204 WeakPolarHBondContact OE2-CE 3.28Å; E200-K204 IonicContact OE2-NZ 2.72Å; E200-K204 PolarHBondContact OE2-NZ 2.66Å
205	P	94.2	Very high	92.8	Very high	84 Å²	84	56.3 Å²	56.3	55%	0.545	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.1	173.7	28.2	-34.3	0	0	0	109.3	Y194 T207	Y194-P205 HydrophobicContact CD1-CB 4.09Å; Y194-P205 HydrophobicContact CE1-CB 3.98Å; P205-T207 PolarHBondContact O-N 2.85Å
206	C	93.6	Very high	92.6	Very high	26 Å²	26	58.3 Å²	58.3	18%	0.176	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.5	131.4	173.1	-63	0	0	0	0	110.3	P193 C219 D224	P193-C206 VanDerWaalsContact C-SG 3.59Å; P193-C206 WeakPolarHBondContact O-CB 3.45Å; P193-C206 PolarHBondContact O-N 3.46Å; P193-C206 PolarHBondContact O-SG 3.32Å; C206-C219 HydrophobicContact CB-CB 3.58Å; C206-C219 WeakPolarHBondContact CB-SG 3.41Å; C206-C219 WeakPolarHBondContact SG-CB 3.01Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 3.46Å; C206-D224 WeakPolarHBondContact CA-OD1 3.47Å
207	T	92.2	Very high	92.5	Very high	68 Å²	68	61.8 Å²	61.8	42%	0.417	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-59.3	138.4	170.9	-70.5	0	0	0	0	109.9	P205 D224 T225	P205-T207 PolarHBondContact O-N 2.85Å; T207-D224 WeakPolarHBondContact CB-OD1 3.24Å; T207-D224 WeakPolarHBondContact CB-OD2 3.5Å; T207-D224 PolarHBondContact N-OD1 3.46Å; T207-D224 PolarHBondContact OG1-OD2 2.94Å; T207-T225 WeakPolarHBondContact O-CB 3.17Å; T207-T225 PolarHBondContact O-OG1 2.83Å
208	V	90.5	Very high	92.3	Very high	84 Å²	84	63.7 Å²	63.7	51%	0.509	34%	0.339	S	S	.	.			trans	-112.1	120.8	-179	-163.4	0	0	0	0	107.6	S239	V208-S239 WeakPolarHBondContact CG1-O 3.27Å
209	C	91.5	Very high	92.4	Very high	7 Å²	7	59.6 Å²	59.6	5%	0.047	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.8	145.1	-173.9	-57.3	0	0	0	0	111.9	E213 I215 C227 S239	C209-E213 HydrophobicContact CB-CB 4.06Å; C209-I215 VanDerWaalsContact SG-CG1 3.58Å; C209-C227 WeakPolarHBondContact CA-SG 3.44Å; C209-C227 HydrophobicContact CB-CB 3.76Å; C209-C227 WeakPolarHBondContact CB-SG 3.34Å; C209-C227 WeakPolarHBondContact SG-CB 3.43Å; C209-C227 CovalentContact SG-SG 2.03Å; C209-C227 PolarHBondContact SG-SG 3.33Å; C209-S239 WeakPolarHBondContact O-CA 3.36Å; C209-S239 WeakPolarHBondContact O-CB 3.48Å
210	K	91.5	Very high	92.5	Very high	138 Å²	138	51.9 Å²	51.9	60%	0.6	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-75.8	158.6	-179.1	-63.3	170.2	-173.1	166.9	0	110.9	G212 E213	K210-G212 PolarHBondContact O-N 3.26Å; K210-E213 HydrophobicContact CB-CG 4.34Å; K210-E213 WeakPolarHBondContact CB-OE2 3.43Å; K210-E213 PolarHBondContact N-OE2 3.17Å; K210-E213 WeakPolarHBondContact O-CA 3.31Å; K210-E213 WeakPolarHBondContact O-CB 3.33Å; K210-E213 PolarHBondContact O-N 3.47Å
211	P	90.5	Very high	92.6	Very high	74 Å²	74	50.3 Å²	50.3	48%	0.481	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	133.9	163.3	-23.7	34.5	0	0	0	109.8	T264	P211-T264 HydrophobicContact CB-CG2 4.04Å
212	G	91.4	Very high	92.8	Very high	8 Å²	8	49.5 Å²	49.5	8%	0.082	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	92	-10.3	-169.7	0	0	0	0	0	114.9	K210 C230 S236 S263	K210-G212 PolarHBondContact O-N 3.26Å; G212-C230 PolarHBondContact O-N 2.92Å; G212-S236 PolarHBondContact N-O 3.07Å; G212-S263 VanDerWaalsContact CA-O 3.32Å; G212-S263 WeakPolarHBondContact CA-O 3.36Å
213	E	93.3	Very high	92.8	Very high	48 Å²	48	49.1 Å²	49.1	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.2	175.8	-58.2	172.9	162.8	0	0	111	C209 K210 C227 Q228 S236	C209-E213 HydrophobicContact CB-CB 4.06Å; K210-E213 HydrophobicContact CB-CG 4.34Å; K210-E213 WeakPolarHBondContact CB-OE2 3.43Å; K210-E213 PolarHBondContact N-OE2 3.17Å; K210-E213 WeakPolarHBondContact O-CA 3.31Å; K210-E213 WeakPolarHBondContact O-CB 3.33Å; K210-E213 PolarHBondContact O-N 3.47Å; E213-C227 HydrophobicContact CB-CB 4.32Å; E213-Q228 CarbonylContact C-O 3.58Å; E213-Q228 WeakPolarHBondContact CA-O 3.4Å; E213-Q228 WeakPolarHBondContact CB-O 3.36Å; E213-S236 WeakPolarHBondContact O-CB 3.43Å; E213-S236 PolarHBondContact O-OG 3.4Å
214	G	90.6	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.4	173.2	0	0	0	0	0	111.9	V216 Q228 V243 C245	G214-V216 PolarHBondContact O-N 3.13Å; G214-Q228 PolarHBondContact N-O 3.49Å; G214-Q228 PolarHBondContact O-N 3.34Å; G214-V243 WeakPolarHBondContact CA-O 3.47Å; G214-C245 PolarHBondContact N-SG 2.94Å
215	I	91.2	Very high	92.5	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.2	-177.4	-70.3	-163.4	0	0	0	112.1	C209 A218 T225 N242 V243 K244	C209-I215 VanDerWaalsContact SG-CG1 3.58Å; I215-A218 HydrophobicContact CG2-CB 4.2Å; I215-T225 HydrophobicContact CD1-CG2 3.56Å; I215-T225 HydrophobicContact CG1-CG2 3.76Å; I215-N242 HydrophobicContact CD1-CB 3.77Å; I215-N242 WeakPolarHBondContact CD1-OD1 3.43Å; I215-V243 PolarHBondContact N-O 3.29Å; I215-K244 WeakPolarHBondContact O-CG 3.39Å
216	V	92.7	Very high	92.5	Very high	71 Å²	71	49.3 Å²	49.3	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-55.5	162.2	-175.2	0	0	0	0	109.4	G214 Q226 Q228	G214-V216 PolarHBondContact O-N 3.13Å; V216-Q226 HydrophobicContact CB-CB 4.45Å; V216-Q226 PolarHBondContact N-O 3.41Å; V216-Q228 HydrophobicContact CG2-CB 3.61Å; V216-Q228 VanDerWaalsContact CG2-CD 3.41Å; V216-Q228 HydrophobicContact CG2-CG 3.47Å; V216-Q228 VanDerWaalsContact CG2-CG 3.47Å
217	Q	92.5	Very high	92.5	Very high	82 Å²	82	50 Å²	50	38%	0.383	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.3	178.7	176.9	173.4	-13.2	0	0	108.8	S223 T225 Q226	Q217-S223 PolarHBondContact NE2-OG 3.42Å; Q217-T225 WeakPolarHBondContact O-CA 3.28Å; Q217-Q226 HydrophobicContact CB-CB 4.08Å; Q217-Q226 HydrophobicContact CB-CG 4.22Å; Q217-Q226 PolarHBondContact N-O 2.91Å; Q217-Q226 PolarHBondContact O-N 2.83Å
218	A	91.4	Very high	92.6	Very high	53 Å²	53	51.4 Å²	51.4	44%	0.438	29%	0.285	S	S	.	.			trans	-69.2	154.1	177	0	0	0	0	0	110.9	I215 G220	I215-A218 HydrophobicContact CG2-CB 4.2Å; A218-G220 PolarHBondContact O-N 2.93Å
219	C	92.9	Very high	92.8	Very high	32 Å²	32	51.6 Å²	51.6	22%	0.216	29%	0.291	C	S	.	.			trans	-54.6	125.6	176.9	-161.1	0	0	0	0	111.4	C206 T225	C206-C219 HydrophobicContact CB-CB 3.58Å; C206-C219 WeakPolarHBondContact CB-SG 3.41Å; C206-C219 WeakPolarHBondContact SG-CB 3.01Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 3.46Å; C219-T225 WeakPolarHBondContact CB-OG1 3.27Å
220	G	93	Very high	92.9	Very high	28 Å²	28	52 Å²	52	29%	0.289	29%	0.293	S	S	.	.			trans	-94	-165.3	-180	0	0	0	0	0	112	Y195 A218 S223	Y195-G220 WeakPolarHBondContact CB-O 2.91Å; A218-G220 PolarHBondContact O-N 2.93Å; G220-S223 PolarHBondContact N-O 3.23Å
221	W	94.2	Very high	93.1	Very high	72 Å²	72	48.7 Å²	48.7	27%	0.273	29%	0.286	S	S	.	.	S	Bend	trans	-85.7	-26.8	172.1	63.1	-81.1	0	0	0	112	R177 I187 Q189 M196	R177-W221 VanDerWaalsContact NH1-CD1 3.33Å; I187-W221 HydrophobicContact CG2-CE3 4.23Å; I187-W221 HydrophobicContact CG2-CH2 3.86Å; I187-W221 HydrophobicContact CG2-CZ3 3.43Å; I187-W221 VanDerWaalsContact CG2-CZ3 3.43Å; Q189-W221 HydrophobicContact CB-CB 4.29Å; Q189-W221 VanDerWaalsContact CD-CB 3.46Å; Q189-W221 HydrophobicContact CG-CB 3.75Å; M196-W221 WeakPolarHBondContact CB-O 3.47Å; M196-W221 PolarHBondContact N-O 2.98Å
222	N	94.3	Very high	93.2	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	30%	0.304	S	S	.	.	S	Bend	trans	-126.1	2.2	176.5	67.1	-27.4	0	0	0	114.4	M196 E198	M196-N222 CarbonylContact O-C 3.47Å; M196-N222 VanDerWaalsContact O-CA 3.27Å; M196-N222 WeakPolarHBondContact O-CA 3.43Å; E198-N222 HydrophobicContact CG-CB 4.44Å; E198-N222 PolarHBondContact OE1-ND2 3.22Å
223	S	94.5	Very high	93.3	Very high	28 Å²	28	52 Å²	52	20%	0.196	32%	0.323	C	S	.	.	S	Bend	trans	-126.8	139.1	-177.5	68.5	0	0	0	0	111.3	Q217 G220	Q217-S223 PolarHBondContact NE2-OG 3.42Å; G220-S223 PolarHBondContact N-O 3.23Å
224	D	94.6	Very high	93.3	Very high	41 Å²	41	53.5 Å²	53.5	22%	0.219	33%	0.329	C	S	.	.			trans	-69.2	165.8	172.2	-158.5	5.2	0	0	0	112.1	Y195 C206 T207	Y195-D224 HydrophobicContact CD1-CB 4.18Å; Y195-D224 HydrophobicContact CE1-CB 3.6Å; Y195-D224 HydrophobicContact CE2-CB 4.16Å; C206-D224 WeakPolarHBondContact CA-OD1 3.47Å; T207-D224 WeakPolarHBondContact CB-OD1 3.24Å; T207-D224 WeakPolarHBondContact CB-OD2 3.5Å; T207-D224 PolarHBondContact N-OD1 3.46Å; T207-D224 PolarHBondContact OG1-OD2 2.94Å
225	T	92.7	Very high	93.4	Very high	10 Å²	10	55.6 Å²	55.6	6%	0.061	34%	0.337	C	S	.	.			trans	-61.4	136.3	164.3	-53.7	0	0	0	0	110.4	T207 I215 Q217 C219	T207-T225 WeakPolarHBondContact O-CB 3.17Å; T207-T225 PolarHBondContact O-OG1 2.83Å; I215-T225 HydrophobicContact CD1-CG2 3.56Å; I215-T225 HydrophobicContact CG1-CG2 3.76Å; Q217-T225 WeakPolarHBondContact O-CA 3.28Å; C219-T225 WeakPolarHBondContact CB-OG1 3.27Å
226	Q	94.3	Very high	93.4	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.9	168	-59	-178.6	25	0	0	110.2	V216 Q217	V216-Q226 HydrophobicContact CB-CB 4.45Å; V216-Q226 PolarHBondContact N-O 3.41Å; Q217-Q226 HydrophobicContact CB-CB 4.08Å; Q217-Q226 HydrophobicContact CB-CG 4.22Å; Q217-Q226 PolarHBondContact N-O 2.91Å; Q217-Q226 PolarHBondContact O-N 2.83Å
227	C	93.7	Very high	92.9	Very high	41 Å²	41	54.6 Å²	54.6	28%	0.277	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.8	-179.1	-54.2	0	0	0	0	110.6	C209 E213	C209-C227 WeakPolarHBondContact CA-SG 3.44Å; C209-C227 HydrophobicContact CB-CB 3.76Å; C209-C227 WeakPolarHBondContact CB-SG 3.34Å; C209-C227 WeakPolarHBondContact SG-CB 3.43Å; C209-C227 CovalentContact SG-SG 2.03Å; C209-C227 PolarHBondContact SG-SG 3.33Å; E213-C227 HydrophobicContact CB-CB 4.32Å
228	Q	94	Very high	91.7	Very high	97 Å²	97	55.6 Å²	55.6	45%	0.453	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.4	167.8	67	-177.4	-11.8	0	0	109.9	E213 G214 V216	E213-Q228 CarbonylContact C-O 3.58Å; E213-Q228 WeakPolarHBondContact CA-O 3.4Å; E213-Q228 WeakPolarHBondContact CB-O 3.36Å; G214-Q228 PolarHBondContact N-O 3.49Å; G214-Q228 PolarHBondContact O-N 3.34Å; V216-Q228 HydrophobicContact CG2-CB 3.61Å; V216-Q228 VanDerWaalsContact CG2-CD 3.41Å; V216-Q228 HydrophobicContact CG2-CG 3.47Å; V216-Q228 VanDerWaalsContact CG2-CG 3.47Å
229	S	94.7	Very high	90.2	Very high	89 Å²	89	55 Å²	55	62%	0.622	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.1	167.5	-47	0	0	0	0	110.2
230	C	93.5	Very high	88.6	Confident	15 Å²	15	56.3 Å²	56.3	10%	0.101	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68.9	131	-179.2	-65	0	0	0	0	111.5	G212 F234 C245	G212-C230 PolarHBondContact O-N 2.92Å; C230-F234 HydrophobicContact CB-CB 4.27Å; C230-C245 WeakPolarHBondContact CA-SG 3.39Å; C230-C245 HydrophobicContact CB-CB 3.74Å; C230-C245 WeakPolarHBondContact CB-SG 3.31Å; C230-C245 WeakPolarHBondContact SG-CB 3.36Å; C230-C245 CovalentContact SG-SG 2.04Å; C230-C245 PolarHBondContact SG-SG 3.04Å
231	P	94.7	Very high	86.7	Confident	69 Å²	69	60.5 Å²	60.5	45%	0.448	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-69.5	163.5	178.4	28.9	-34.1	0	0	0	111.2	G233 F234	P231-G233 PolarHBondContact O-N 2.88Å; P231-F234 HydrophobicContact CG-CB 4.34Å; P231-F234 HydrophobicContact CG-CD2 3.76Å; P231-F234 HydrophobicContact CG-CE2 4.36Å; P231-F234 HydrophobicContact CG-CG 4.19Å; P231-F234 WeakPolarHBondContact O-CB 3.34Å; P231-F234 PolarHBondContact O-N 3.44Å
232	A	93.5	Very high	85.1	Confident	104 Å²	104	61.8 Å²	61.8	86%	0.86	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	134.2	177.7	0	0	0	0	0	111.5
233	G	92.5	Very high	84.3	Confident	46 Å²	46	61.7 Å²	61.7	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	8	-172.1	0	0	0	0	0	114.7	P231 P247 C248	P231-G233 PolarHBondContact O-N 2.88Å; G233-P247 WeakPolarHBondContact O-CA 3.4Å; G233-C248 PolarHBondContact O-N 3.47Å; G233-C248 PolarHBondContact O-SG 2.81Å; G233-C248 VanDerWaalsContact O-SG 3.33Å
234	F	93.8	Very high	84.1	Confident	81 Å²	81	67 Å²	67	36%	0.355	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154	173.1	-63.3	-106.9	0	0	0	112.5	C230 P231 C245 I246 P247	C230-F234 HydrophobicContact CB-CB 4.27Å; P231-F234 HydrophobicContact CG-CB 4.34Å; P231-F234 HydrophobicContact CG-CD2 3.76Å; P231-F234 HydrophobicContact CG-CE2 4.36Å; P231-F234 HydrophobicContact CG-CG 4.19Å; P231-F234 WeakPolarHBondContact O-CB 3.34Å; P231-F234 PolarHBondContact O-N 3.44Å; F234-C245 HydrophobicContact CB-CB 3.9Å; F234-C245 HydrophobicContact CD1-CB 4.32Å; F234-C245 WeakPolarHBondContact CD1-O 3.44Å; F234-C245 HydrophobicContact CG-CB 4.46Å; F234-I246 CarbonylContact C-O 3.49Å; F234-I246 WeakPolarHBondContact CA-O 3.33Å; F234-I246 WeakPolarHBondContact CB-O 3.5Å; F234-P247 HydrophobicContact CD1-CB 4.08Å; F234-P247 HydrophobicContact CE1-CB 3.89Å; F234-P247 HydrophobicContact CE1-CG 4.49Å; F234-P247 HydrophobicContact CZ-CB 4.43Å
235	W	92.6	Very high	84	Confident	44 Å²	44	66 Å²	66	17%	0.167	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.4	-177.6	69.7	-79.1	0	0	0	113.2	A237 I246 S262 S263 D266	W235-A237 HydrophobicContact CE3-CB 3.95Å; W235-A237 HydrophobicContact CZ3-CB 3.55Å; W235-I246 VanDerWaalsContact CD1-O 3.26Å; W235-I246 HydrophobicContact CH2-CD1 4.47Å; W235-I246 HydrophobicContact CZ2-CD1 4.16Å; W235-I246 HydrophobicContact CZ2-CG2 4.4Å; W235-I246 PolarHBondContact N-O 2.94Å; W235-I246 PolarHBondContact O-N 2.85Å; W235-S262 WeakPolarHBondContact CB-O 3.49Å; W235-S263 CarbonylContact C-O 3.44Å; W235-S263 VanDerWaalsContact CA-O 3.24Å; W235-S263 WeakPolarHBondContact CA-O 3.32Å; W235-D266 HydrophobicContact CD2-CB 3.9Å; W235-D266 VanDerWaalsContact CD2-N 3.32Å; W235-D266 VanDerWaalsContact CE2-CG 3.41Å; W235-D266 HydrophobicContact CE3-CB 4.41Å; W235-D266 HydrophobicContact CG-CB 4.4Å; W235-D266 HydrophobicContact CH2-CB 4.05Å; W235-D266 HydrophobicContact CZ2-CB 3.51Å; W235-D266 VanDerWaalsContact CZ2-OD2 3.26Å; W235-D266 WeakPolarHBondContact CZ2-OD2 3.04Å; W235-D266 HydrophobicContact CZ3-CB 4.46Å; W235-D266 PolarHBondContact NE1-OD1 3.07Å; W235-D266 PolarHBondContact NE1-OD2 3.15Å; W235-D266 VanDerWaalsContact NE1-OD2 3.09Å
236	S	91.8	Very high	84	Confident	6 Å²	6	68.5 Å²	68.5	4%	0.042	40%	0.396	C	S	.	.			trans	-157.4	110	174.4	178.1	0	0	0	0	109.6	G212 E213 S263	G212-S236 PolarHBondContact N-O 3.07Å; E213-S236 WeakPolarHBondContact O-CB 3.43Å; E213-S236 PolarHBondContact O-OG 3.4Å; S236-S263 PolarHBondContact N-O 3.45Å
237	A	81.5	Confident	83.9	Confident	53 Å²	53	67.5 Å²	67.5	44%	0.438	40%	0.398	S	S	.	.			trans	-87.8	-27.9	-175.9	0	0	0	0	0	114.8	W235 T264	W235-A237 HydrophobicContact CE3-CB 3.95Å; W235-A237 HydrophobicContact CZ3-CB 3.55Å; A237-T264 VanDerWaalsContact CA-O 3.32Å; A237-T264 WeakPolarHBondContact CA-O 3.27Å; A237-T264 WeakPolarHBondContact CB-O 3.25Å
238	Q	67.8	Low	84	Confident	104 Å²	104	67 Å²	67	49%	0.486	39%	0.394	S	S	.	.			trans	-134.3	141.2	-172.8	-155.3	178.7	90	0	0	112.3	I240	Q238-I240 VanDerWaalsContact C-N 3.34Å; Q238-I240 HydrophobicContact CG-CB 4.46Å; Q238-I240 HydrophobicContact CG-CD1 4.08Å; Q238-I240 PolarHBondContact O-N 3.09Å
239	S	60.7	Low	83.9	Confident	41 Å²	41	66.9 Å²	66.9	29%	0.287	39%	0.394	S	S	.	.	S	Bend	trans	-73.8	-23.1	-173.6	57	0	0	0	0	113.8	V208 C209	V208-S239 WeakPolarHBondContact CG1-O 3.27Å; C209-S239 WeakPolarHBondContact O-CA 3.36Å; C209-S239 WeakPolarHBondContact O-CB 3.48Å
240	I	57.9	Low	83.8	Confident	58 Å²	58	67.8 Å²	67.8	30%	0.297	40%	0.4	S	S	.	.	S	Bend	trans	-86.1	-25.4	-153	-76.1	148.2	0	0	0	115.5	Q238 N242 K551	Q238-I240 VanDerWaalsContact C-N 3.34Å; Q238-I240 HydrophobicContact CG-CB 4.46Å; Q238-I240 HydrophobicContact CG-CD1 4.08Å; Q238-I240 PolarHBondContact O-N 3.09Å; I240-N242 PolarHBondContact O-N 3.15Å; I240-K551 VanDerWaalsContact CD1-NZ 3.32Å
241	D	54.6	Low	83.7	Confident	117 Å²	117	69.2 Å²	69.2	63%	0.626	41%	0.41	S	S	*	.	S	Bend	trans	-101.1	24.4	-163.7	-77.7	-26.2	0	0	0	115.8	V243	D241-V243 HydrophobicContact CB-CG2 3.37Å; D241-V243 WeakPolarHBondContact O-CG2 3.49Å; D241-V243 PolarHBondContact O-N 2.72Å; D241-V243 VanDerWaalsContact O-N 3.13Å
242	N	60.2	Low	83.5	Confident	98 Å²	98	67.8 Å²	67.8	52%	0.524	41%	0.407	S	S	.	.			trans	52.5	30.1	-175.3	-71.5	-69.4	0	0	0	114.3	I215 I240	I215-N242 HydrophobicContact CD1-CB 3.77Å; I215-N242 WeakPolarHBondContact CD1-OD1 3.43Å; I240-N242 PolarHBondContact O-N 3.15Å
243	V	77.1	Confident	83.2	Confident	51 Å²	51	72.8 Å²	72.8	31%	0.309	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-79.6	134.7	-165.6	-158.3	0	0	0	0	110.8	G214 I215 D241 I246	G214-V243 WeakPolarHBondContact CA-O 3.47Å; I215-V243 PolarHBondContact N-O 3.29Å; D241-V243 HydrophobicContact CB-CG2 3.37Å; D241-V243 WeakPolarHBondContact O-CG2 3.49Å; D241-V243 PolarHBondContact O-N 2.72Å; D241-V243 VanDerWaalsContact O-N 3.13Å; V243-I246 HydrophobicContact CG1-CD1 3.96Å; V243-I246 HydrophobicContact CG1-CG1 3.93Å
244	K	90	Very high	82.9	Confident	140 Å²	140	76.8 Å²	76.8	61%	0.609	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-77.7	153.3	165.1	-55.8	-164	174	-174.8	0	108.7	I215 I246	I215-K244 WeakPolarHBondContact O-CG 3.39Å; K244-I246 PolarHBondContact O-N 2.64Å
245	C	92.7	Very high	82.7	Confident	19 Å²	19	76 Å²	76	13%	0.128	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-49.8	126.2	175.7	-63.5	0	0	0	0	111.6	G214 C230 F234	G214-C245 PolarHBondContact N-SG 2.94Å; C230-C245 WeakPolarHBondContact CA-SG 3.39Å; C230-C245 HydrophobicContact CB-CB 3.74Å; C230-C245 WeakPolarHBondContact CB-SG 3.31Å; C230-C245 WeakPolarHBondContact SG-CB 3.36Å; C230-C245 CovalentContact SG-SG 2.04Å; C230-C245 PolarHBondContact SG-SG 3.04Å; F234-C245 HydrophobicContact CB-CB 3.9Å; F234-C245 HydrophobicContact CD1-CB 4.32Å; F234-C245 WeakPolarHBondContact CD1-O 3.44Å; F234-C245 HydrophobicContact CG-CB 4.46Å
246	I	91.6	Very high	82.4	Confident	64 Å²	64	78.5 Å²	78.5	33%	0.328	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.6	-175.3	-54	177	0	0	0	108	F234 W235 V243 K244	F234-I246 CarbonylContact C-O 3.49Å; F234-I246 WeakPolarHBondContact CA-O 3.33Å; F234-I246 WeakPolarHBondContact CB-O 3.5Å; W235-I246 VanDerWaalsContact CD1-O 3.26Å; W235-I246 HydrophobicContact CH2-CD1 4.47Å; W235-I246 HydrophobicContact CZ2-CD1 4.16Å; W235-I246 HydrophobicContact CZ2-CG2 4.4Å; W235-I246 PolarHBondContact N-O 2.94Å; W235-I246 PolarHBondContact O-N 2.85Å; V243-I246 HydrophobicContact CG1-CD1 3.96Å; V243-I246 HydrophobicContact CG1-CG1 3.93Å; K244-I246 PolarHBondContact O-N 2.64Å
247	P	93.9	Very high	82.3	Confident	81 Å²	81	82.1 Å²	82.1	53%	0.526	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	139.6	174.5	27.4	-34.7	0	0	0	110.8	G233 F234	G233-P247 WeakPolarHBondContact O-CA 3.4Å; F234-P247 HydrophobicContact CD1-CB 4.08Å; F234-P247 HydrophobicContact CE1-CB 3.89Å; F234-P247 HydrophobicContact CE1-CG 4.49Å; F234-P247 HydrophobicContact CZ-CB 4.43Å
248	C	94	Very high	82.6	Confident	29 Å²	29	81.7 Å²	81.7	20%	0.196	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-61.8	140.8	176.4	-59.1	0	0	0	0	111.5	G233 C261 D266	G233-C248 PolarHBondContact O-N 3.47Å; G233-C248 PolarHBondContact O-SG 2.81Å; G233-C248 VanDerWaalsContact O-SG 3.33Å; C248-C261 HydrophobicContact CB-CB 3.62Å; C248-C261 WeakPolarHBondContact CB-SG 3.38Å; C248-C261 WeakPolarHBondContact SG-CB 3.49Å; C248-C261 CovalentContact SG-SG 2.03Å; C248-C261 PolarHBondContact SG-SG 3.41Å; C248-D266 WeakPolarHBondContact CA-OD1 3.21Å
249	Q	93.1	Very high	83.6	Confident	96 Å²	96	81.2 Å²	81.2	45%	0.449	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-67.1	144.3	170.4	-178.7	173.7	-39.9	0	0	110.9	D266 T267	Q249-D266 PolarHBondContact N-OD1 2.67Å; Q249-T267 WeakPolarHBondContact O-CB 3.35Å; Q249-T267 PolarHBondContact O-OG1 2.92Å
250	S	92.7	Very high	85.1	Confident	108 Å²	108	86.6 Å²	86.6	76%	0.755	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-103.5	136.4	169.3	-65.8	0	0	0	0	110.4
251	C	91.7	Very high	86.7	Confident	44 Å²	44	85.7 Å²	85.7	30%	0.297	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-72.6	139.3	176.5	-54	0	0	0	0	111.8	Q255 C269	C251-Q255 HydrophobicContact CB-CB 4.14Å; C251-C269 WeakPolarHBondContact CA-SG 3.46Å; C251-C269 HydrophobicContact CB-CB 3.76Å; C251-C269 WeakPolarHBondContact CB-SG 3.47Å; C251-C269 PolarHBondContact N-SG 3.29Å; C251-C269 WeakPolarHBondContact SG-CB 3.3Å; C251-C269 CovalentContact SG-SG 2.04Å; C251-C269 PolarHBondContact SG-SG 3.48Å
252	G	89.9	Confident	88.5	Confident	39 Å²	39	82.2 Å²	82.2	40%	0.402	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-73.9	172.1	174.1	0	0	0	0	0	113.1	D254 Q255	G252-D254 PolarHBondContact O-N 3.43Å; G252-Q255 PolarHBondContact O-N 2.85Å; G252-Q255 VanDerWaalsContact O-N 3.14Å
253	K	86.6	Confident	90	Very high	210 Å²	210	80.2 Å²	80.2	91%	0.913	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.4	-179.6	-64.8	-175.9	-179.3	179.9	0	113.6	Q255	K253-Q255 VanDerWaalsContact C-N 3.27Å; K253-Q255 PolarHBondContact O-N 3.33Å
254	D	87.2	Confident	90.7	Very high	130 Å²	130	81 Å²	81	70%	0.695	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	22.4	179.5	-48.1	-60.6	0	0	0	112	G252 P271 V272	G252-D254 PolarHBondContact O-N 3.43Å; D254-P271 WeakPolarHBondContact O-CA 3.46Å; D254-V272 WeakPolarHBondContact O-CG2 3.4Å; D254-V272 PolarHBondContact O-N 3.07Å
255	Q	88.7	Confident	90.8	Very high	65 Å²	65	75.2 Å²	75.2	30%	0.304	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.3	-178.6	-65.6	175.4	-19.2	0	0	112	C251 G252 K253 C269 C270	C251-Q255 HydrophobicContact CB-CB 4.14Å; G252-Q255 PolarHBondContact O-N 2.85Å; G252-Q255 VanDerWaalsContact O-N 3.14Å; K253-Q255 VanDerWaalsContact C-N 3.27Å; K253-Q255 PolarHBondContact O-N 3.33Å; Q255-C269 HydrophobicContact CB-CB 4.24Å; Q255-C270 CarbonylContact C-O 3.58Å; Q255-C270 WeakPolarHBondContact CA-O 3.31Å
256	I	86.3	Confident	90.8	Very high	95 Å²	95	75.9 Å²	75.9	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	173.7	-61.1	165.8	0	0	0	108.2	V258 C269 C270 V272	I256-V258 PolarHBondContact O-N 3.13Å; I256-C269 WeakPolarHBondContact O-CA 3.41Å; I256-C270 PolarHBondContact N-O 3.28Å; I256-C270 PolarHBondContact O-N 3.48Å; I256-V272 HydrophobicContact CD1-CG2 4.1Å; I256-V272 HydrophobicContact CG1-CG2 3.87Å
257	L	89.4	Confident	90.8	Very high	82 Å²	82	73.7 Å²	73.7	43%	0.429	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.3	171.3	178.5	64.7	0	0	0	109.5	K259 E260 T267	L257-K259 VanDerWaalsContact CD1-O 3.29Å; L257-K259 WeakPolarHBondContact CD1-O 3.32Å; L257-E260 HydrophobicContact CD2-CG 3.96Å; L257-T267 HydrophobicContact CD1-CG2 3.34Å
258	V	87.6	Confident	90.7	Very high	44 Å²	44	74.4 Å²	74.4	27%	0.267	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-38.3	176.7	179.8	0	0	0	0	110.6	I256 L268 C270 L281	I256-V258 PolarHBondContact O-N 3.13Å; V258-L268 HydrophobicContact CB-CB 4.24Å; V258-L268 PolarHBondContact N-O 3.45Å; V258-C270 HydrophobicContact CG2-CB 3.56Å; V258-L281 HydrophobicContact CG1-CD1 4.31Å
259	K	89.4	Confident	90.7	Very high	95 Å²	95	74.2 Å²	74.2	41%	0.413	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	130.9	179.7	-166.3	-167.3	-179.8	-170.2	0	110.5	L257 S265 T267 L268	L257-K259 VanDerWaalsContact CD1-O 3.29Å; L257-K259 WeakPolarHBondContact CD1-O 3.32Å; K259-S265 WeakPolarHBondContact CE-OG 3.19Å; K259-S265 PolarHBondContact NZ-OG 2.92Å; K259-T267 WeakPolarHBondContact O-CA 3.41Å; K259-L268 HydrophobicContact CB-CB 3.76Å; K259-L268 HydrophobicContact CB-CD1 3.85Å; K259-L268 HydrophobicContact CB-CG 3.87Å; K259-L268 HydrophobicContact CD-CD1 3.87Å; K259-L268 HydrophobicContact CD-CG 4.23Å; K259-L268 PolarHBondContact N-O 3.39Å; K259-L268 PolarHBondContact O-N 3.42Å
260	E	91.7	Very high	90.5	Very high	153 Å²	153	70 Å²	70	72%	0.715	39%	0.391	S	S	*	.			trans	-66.8	149.2	171.2	-71.8	-179.6	-176.4	0	0	112	L257	L257-E260 HydrophobicContact CD2-CG 3.96Å
261	C	93.1	Very high	90.3	Very high	39 Å²	39	67.9 Å²	67.9	26%	0.264	37%	0.374	S	S	.	.			trans	-63.8	140.8	173.3	-162.2	0	0	0	0	110.9	C248 S265 T267	C248-C261 HydrophobicContact CB-CB 3.62Å; C248-C261 WeakPolarHBondContact CB-SG 3.38Å; C248-C261 WeakPolarHBondContact SG-CB 3.49Å; C248-C261 CovalentContact SG-SG 2.03Å; C248-C261 PolarHBondContact SG-SG 3.41Å; C261-S265 PolarHBondContact SG-O 3Å; C261-T267 WeakPolarHBondContact CB-OG1 3.46Å
262	S	92.3	Very high	89.7	Confident	44 Å²	44	69.7 Å²	69.7	31%	0.308	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-128.6	166.3	170.9	69.9	0	0	0	0	109	W235 T264 S265	W235-S262 WeakPolarHBondContact CB-O 3.49Å; S262-T264 PolarHBondContact O-N 3.13Å; S262-T264 PolarHBondContact OG-N 3.33Å; S262-T264 PolarHBondContact OG-OG1 3.01Å; S262-S265 PolarHBondContact N-O 3.32Å; S262-S265 PolarHBondContact O-N 2.99Å; S262-S265 VanDerWaalsContact O-N 3.13Å; S262-S265 PolarHBondContact OG-N 3.38Å; S262-S265 VanDerWaalsContact OG-N 3.16Å; S262-S265 PolarHBondContact OG-OG 3.4Å; S262-S265 VanDerWaalsContact OG-OG 3.05Å
263	S	91.9	Very high	89.3	Confident	57 Å²	57	75 Å²	75	40%	0.399	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.7	175.7	55.2	0	0	0	0	112.9	G212 W235 S236	G212-S263 VanDerWaalsContact CA-O 3.32Å; G212-S263 WeakPolarHBondContact CA-O 3.36Å; W235-S263 CarbonylContact C-O 3.44Å; W235-S263 VanDerWaalsContact CA-O 3.24Å; W235-S263 WeakPolarHBondContact CA-O 3.32Å; S236-S263 PolarHBondContact N-O 3.45Å
264	T	91.3	Very high	88.9	Confident	66 Å²	66	68.1 Å²	68.1	41%	0.405	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.3	-179.2	53.2	0	0	0	0	114.9	P211 A237 S262	P211-T264 HydrophobicContact CB-CG2 4.04Å; A237-T264 VanDerWaalsContact CA-O 3.32Å; A237-T264 WeakPolarHBondContact CA-O 3.27Å; A237-T264 WeakPolarHBondContact CB-O 3.25Å; S262-T264 PolarHBondContact O-N 3.13Å; S262-T264 PolarHBondContact OG-N 3.33Å; S262-T264 PolarHBondContact OG-OG1 3.01Å
265	S	91.1	Very high	88	Confident	20 Å²	20	66.8 Å²	66.8	14%	0.14	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-155.9	142.1	-177.3	74.9	0	0	0	0	113.4	K259 C261 S262	K259-S265 WeakPolarHBondContact CE-OG 3.19Å; K259-S265 PolarHBondContact NZ-OG 2.92Å; C261-S265 PolarHBondContact SG-O 3Å; S262-S265 PolarHBondContact N-O 3.32Å; S262-S265 PolarHBondContact O-N 2.99Å; S262-S265 VanDerWaalsContact O-N 3.13Å; S262-S265 PolarHBondContact OG-N 3.38Å; S262-S265 VanDerWaalsContact OG-N 3.16Å; S262-S265 PolarHBondContact OG-OG 3.4Å; S262-S265 VanDerWaalsContact OG-OG 3.05Å
266	D	92.5	Very high	87	Confident	33 Å²	33	69.5 Å²	69.5	18%	0.176	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-60.8	165.6	173.6	-142.3	-21.8	0	0	0	113.8	W235 C248 Q249	W235-D266 HydrophobicContact CD2-CB 3.9Å; W235-D266 VanDerWaalsContact CD2-N 3.32Å; W235-D266 VanDerWaalsContact CE2-CG 3.41Å; W235-D266 HydrophobicContact CE3-CB 4.41Å; W235-D266 HydrophobicContact CG-CB 4.4Å; W235-D266 HydrophobicContact CH2-CB 4.05Å; W235-D266 HydrophobicContact CZ2-CB 3.51Å; W235-D266 VanDerWaalsContact CZ2-OD2 3.26Å; W235-D266 WeakPolarHBondContact CZ2-OD2 3.04Å; W235-D266 HydrophobicContact CZ3-CB 4.46Å; W235-D266 PolarHBondContact NE1-OD1 3.07Å; W235-D266 PolarHBondContact NE1-OD2 3.15Å; W235-D266 VanDerWaalsContact NE1-OD2 3.09Å; C248-D266 WeakPolarHBondContact CA-OD1 3.21Å; Q249-D266 PolarHBondContact N-OD1 2.67Å
267	T	92.8	Very high	86.1	Confident	18 Å²	18	66.9 Å²	66.9	11%	0.11	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-59.9	128.2	162.7	-48.8	0	0	0	0	110.2	Q249 L257 K259 C261	Q249-T267 WeakPolarHBondContact O-CB 3.35Å; Q249-T267 PolarHBondContact O-OG1 2.92Å; L257-T267 HydrophobicContact CD1-CG2 3.34Å; K259-T267 WeakPolarHBondContact O-CA 3.41Å; C261-T267 WeakPolarHBondContact CB-OG1 3.46Å
268	L	92.4	Very high	84.6	Confident	95 Å²	95	68 Å²	68	50%	0.497	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.4	170	-59.1	179.2	0	0	0	110	V258 K259	V258-L268 HydrophobicContact CB-CB 4.24Å; V258-L268 PolarHBondContact N-O 3.45Å; K259-L268 HydrophobicContact CB-CB 3.76Å; K259-L268 HydrophobicContact CB-CD1 3.85Å; K259-L268 HydrophobicContact CB-CG 3.87Å; K259-L268 HydrophobicContact CD-CD1 3.87Å; K259-L268 HydrophobicContact CD-CG 4.23Å; K259-L268 PolarHBondContact N-O 3.39Å; K259-L268 PolarHBondContact O-N 3.42Å
269	C	92.6	Very high	83.1	Confident	26 Å²	26	72.7 Å²	72.7	18%	0.176	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.3	179.3	-55.6	0	0	0	0	109.9	C251 Q255 I256	C251-C269 WeakPolarHBondContact CA-SG 3.46Å; C251-C269 HydrophobicContact CB-CB 3.76Å; C251-C269 WeakPolarHBondContact CB-SG 3.47Å; C251-C269 PolarHBondContact N-SG 3.29Å; C251-C269 WeakPolarHBondContact SG-CB 3.3Å; C251-C269 CovalentContact SG-SG 2.04Å; C251-C269 PolarHBondContact SG-SG 3.48Å; Q255-C269 HydrophobicContact CB-CB 4.24Å; I256-C269 WeakPolarHBondContact O-CA 3.41Å
270	C	88.4	Confident	81.2	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.054	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.3	173.4	175.6	0	0	0	0	112.2	Q255 I256 V258 V272 C277	Q255-C270 CarbonylContact C-O 3.58Å; Q255-C270 WeakPolarHBondContact CA-O 3.31Å; I256-C270 PolarHBondContact N-O 3.28Å; I256-C270 PolarHBondContact O-N 3.48Å; V258-C270 HydrophobicContact CG2-CB 3.56Å; C270-V272 PolarHBondContact O-N 3.36Å; C270-C277 HydrophobicContact CB-CB 3.66Å; C270-C277 WeakPolarHBondContact CB-SG 3.49Å; C270-C277 WeakPolarHBondContact SG-CB 3.41Å; C270-C277 CovalentContact SG-SG 1.99Å; C270-C277 PolarHBondContact SG-SG 2.98Å
271	P	88.9	Confident	79.4	Confident	62 Å²	62	73.5 Å²	73.5	40%	0.403	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.8	167.8	-21.6	33.3	0	0	0	112.9	D254 N273 N274	D254-P271 WeakPolarHBondContact O-CA 3.46Å; P271-N273 PolarHBondContact O-N 3.3Å; P271-N274 WeakPolarHBondContact O-CB 3.08Å; P271-N274 PolarHBondContact O-N 2.99Å
272	V	80.5	Confident	77.3	Confident	82 Å²	82	75 Å²	75	50%	0.497	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.1	-180	173.2	0	0	0	0	112.7	D254 I256 C270 N274	D254-V272 WeakPolarHBondContact O-CG2 3.4Å; D254-V272 PolarHBondContact O-N 3.07Å; I256-V272 HydrophobicContact CD1-CG2 4.1Å; I256-V272 HydrophobicContact CG1-CG2 3.87Å; C270-V272 PolarHBondContact O-N 3.36Å; V272-N274 VanDerWaalsContact C-N 3.3Å; V272-N274 PolarHBondContact O-N 3.47Å
273	N	79.7	Confident	75.1	Confident	152 Å²	152	80.3 Å²	80.3	81%	0.813	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	1	-178.8	-61.3	-19.4	0	0	0	114.3	P271 P275	P271-N273 PolarHBondContact O-N 3.3Å; N273-P275 WeakPolarHBondContact O-CD 3.5Å
274	N	78.4	Confident	73	Confident	65 Å²	65	87.5 Å²	87.5	35%	0.348	47%	0.47	S	S	.	.			trans	-95.2	112.7	-178.1	-176.4	3.9	0	0	0	111.5	P271 V272 N276 C277	P271-N274 WeakPolarHBondContact O-CB 3.08Å; P271-N274 PolarHBondContact O-N 2.99Å; V272-N274 VanDerWaalsContact C-N 3.3Å; V272-N274 PolarHBondContact O-N 3.47Å; N274-N276 PolarHBondContact O-N 3.46Å; N274-N276 VanDerWaalsContact O-N 3.14Å; N274-N276 PolarHBondContact OD1-N 3.42Å; N274-C277 PolarHBondContact O-N 3.02Å
275	P	69.8	Low	70.9	Confident	101 Å²	101	92.7 Å²	92.7	66%	0.656	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-66.2	-15.2	-177.5	27.9	-35.9	0	0	0	114.3	N273 C277 T278	N273-P275 WeakPolarHBondContact O-CD 3.5Å; P275-C277 VanDerWaalsContact C-N 3.3Å; P275-C277 PolarHBondContact O-N 3.43Å; P275-T278 PolarHBondContact O-OG1 3.37Å
276	N	68.1	Low	68.5	Low	122 Å²	122	98 Å²	98	65%	0.652	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-74.2	-17.8	-179.1	-71.1	-4.8	0	0	0	113.7	N274 T278 H279	N274-N276 PolarHBondContact O-N 3.46Å; N274-N276 VanDerWaalsContact O-N 3.14Å; N274-N276 PolarHBondContact OD1-N 3.42Å; N276-T278 VanDerWaalsContact C-N 3.34Å; N276-T278 PolarHBondContact O-N 2.89Å; N276-H279 PolarHBondContact O-N 3.32Å
277	C	65.7	Low	66.2	Low	41 Å²	41	107.3 Å²	107.3	28%	0.277	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-84.3	-5.9	-170.1	-61.6	0	0	0	0	115.1	C270 N274 P275 H279	C270-C277 HydrophobicContact CB-CB 3.66Å; C270-C277 WeakPolarHBondContact CB-SG 3.49Å; C270-C277 WeakPolarHBondContact SG-CB 3.41Å; C270-C277 CovalentContact SG-SG 1.99Å; C270-C277 PolarHBondContact SG-SG 2.98Å; N274-C277 PolarHBondContact O-N 3.02Å; P275-C277 VanDerWaalsContact C-N 3.3Å; P275-C277 PolarHBondContact O-N 3.43Å; C277-H279 VanDerWaalsContact C-N 3.31Å
278	T	58.4	Low	63.7	Low	105 Å²	105	111.8 Å²	111.8	64%	0.644	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-83.1	-7.7	173	50.6	0	0	0	0	113	P275 N276 S282	P275-T278 PolarHBondContact O-OG1 3.37Å; N276-T278 VanDerWaalsContact C-N 3.34Å; N276-T278 PolarHBondContact O-N 2.89Å; T278-S282 PolarHBondContact O-OG 3.46Å; T278-S282 VanDerWaalsContact O-OG 3.04Å
279	H	55.3	Low	61.1	Low	143 Å²	143	110.5 Å²	110.5	66%	0.662	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-19.7	-169.7	-118.5	-77.9	0	0	0	116.2	N276 C277	N276-H279 PolarHBondContact O-N 3.32Å; C277-H279 VanDerWaalsContact C-N 3.31Å
280	E	51.3	Low	58.6	Low	158 Å²	158	119.9 Å²	119.9	74%	0.738	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-34.2	173.5	-82.4	-169.5	124.5	0	0	113	S282 M283	E280-S282 PolarHBondContact O-N 2.72Å; E280-M283 PolarHBondContact O-N 2.85Å
281	L	53.6	Low	56.1	Low	107 Å²	107	126.9 Å²	126.9	56%	0.56	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-14.4	-176.4	-140.6	73.7	0	0	0	113.8	V258	V258-L281 HydrophobicContact CG1-CD1 4.31Å
282	S	48.8	Very low	53.8	Low	70 Å²	70	132.3 Å²	132.3	49%	0.49	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-21.3	177.9	47.7	0	0	0	0	113.6	T278 E280	T278-S282 PolarHBondContact O-OG 3.46Å; T278-S282 VanDerWaalsContact O-OG 3.04Å; E280-S282 PolarHBondContact O-N 2.72Å
283	M	45.2	Very low	52	Low	155 Å²	155	137 Å²	137	76%	0.764	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-14.1	-172.3	-165.6	170.8	167.8	0	0	114.2	E280	E280-M283 PolarHBondContact O-N 2.85Å
284	Y	48.5	Very low	50.4	Low	208 Å²	208	135.5 Å²	135.5	82%	0.816	69%	0.692	S	S	*	*	S	Bend	trans	-98	-6	-178.4	-164.2	-103.6	0	0	0	114.6
285	F	47.6	Very low	48.7	Very low	176 Å²	176	139 Å²	139	77%	0.772	71%	0.711	S	S	*	*	S	Bend	trans	-117	-1.5	-167.4	-111	-80.3	0	0	0	117.1
286	D	39.6	Very low	47.6	Very low	131 Å²	131	141 Å²	141	70%	0.701	72%	0.715	S	S	*	*			trans	-124.7	15.6	-171.5	-147.2	14.9	0	0	0	114.9	S288	D286-S288 PolarHBondContact O-N 3.3Å; D286-S288 VanDerWaalsContact O-N 3.1Å
287	Y	44.8	Very low	46.4	Very low	228 Å²	228	141 Å²	141	89%	0.894	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	24.3	-177.2	-126.6	-84.9	0	0	0	114.5
288	S	39.4	Very low	45.4	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	30.8	-172.5	63.9	0	0	0	0	115.4	D286	D286-S288 PolarHBondContact O-N 3.3Å; D286-S288 VanDerWaalsContact O-N 3.1Å
289	A	39.1	Very low	44.7	Very low	68 Å²	68	147.5 Å²	147.5	56%	0.562	75%	0.752	S	S	*	*			trans	-152.7	150.7	163.3	0	0	0	0	0	112.8
290	Y	38.9	Very low	44.2	Very low	223 Å²	223	147.6 Å²	147.6	88%	0.875	76%	0.757	S	S	*	*			trans	92.2	83.4	171.5	-70.2	-80.4	0	0	0	119.8
291	D	36.1	Very low	43.9	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	76%	0.763	S	S	*	*			trans	-65.8	129.9	131.7	-72.7	-56.2	0	0	0	109.9
292	Q	42.1	Very low	43.9	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	78%	0.775	S	S	*	*			trans	168.8	103.8	130.3	-93	-168.8	-63.4	0	0	112.4
293	E	42.3	Very low	44.4	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	78%	0.782	S	S	*	*				27.4	116.4	126.6	-157.5	159.2	-137.5	0	0	119.2
294	S	46.3	Very low	44.9	Very low	120 Å²	120	151.6 Å²	151.6	84%	0.839	78%	0.78	S	S	*	*			trans	-143.1	133.4	156.7	53.2	0	0	0	0	111.4
295	D	41.4	Very low	45.5	Very low	139 Å²	139	149 Å²	149	74%	0.743	78%	0.775	S	S	*	*			trans	-85.8	135.7	-172.1	-92.8	-47.3	0	0	0	114.2
296	I	47.8	Very low	46.4	Very low	144 Å²	144	147.6 Å²	147.6	74%	0.738	77%	0.773	S	S	*	*			trans	28	119.6	135.9	-51.1	174.6	0	0	0	118.5
297	S	41.5	Very low	47.9	Very low	120 Å²	120	148.2 Å²	148.2	84%	0.839	78%	0.775	S	S	*	*			trans	-145.2	126.4	134.9	-173.1	0	0	0	0	110.4
298	D	44.4	Very low	49.5	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	76%	0.759	S	S	*	*			trans	-59	138.7	-177.4	-84.4	-61.5	0	0	0	113.6
299	N	45.3	Very low	51.5	Low	147 Å²	147	140.6 Å²	140.6	79%	0.786	75%	0.745	S	S	*	*			trans	-167.3	141.1	135.8	-97.3	-52	0	0	0	111.4
300	N	44	Very low	53.8	Low	145 Å²	145	144.6 Å²	144.6	78%	0.775	75%	0.747	S	S	*	*			trans	100.4	67.3	171.6	-53.7	-48.6	0	0	0	118.4	K302	N300-K302 PolarHBondContact O-N 2.93Å
301	N	44.9	Very low	56.1	Low	160 Å²	160	138.2 Å²	138.2	86%	0.856	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	90.2	154.7	-88.2	-50.4	0	0	0	111.9
302	K	54.2	Low	58.7	Low	188 Å²	188	134.5 Å²	134.5	82%	0.817	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.5	-17.1	162	-122.9	165.1	-175.3	171.8	0	117	N300	N300-K302 PolarHBondContact O-N 2.93Å
303	S	58.2	Low	61	Low	89 Å²	89	130.2 Å²	130.2	62%	0.622	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-75.1	-24.5	-178.2	46.4	0	0	0	0	114.8	Q305	S303-Q305 VanDerWaalsContact C-N 3.32Å; S303-Q305 PolarHBondContact O-N 3.13Å
304	N	56.4	Low	63.4	Low	136 Å²	136	125.2 Å²	125.2	73%	0.727	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-83.9	10.9	-164.7	-65	-16.5	0	0	0	115.9
305	Q	61.6	Low	65.5	Low	154 Å²	154	120.8 Å²	120.8	72%	0.72	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-96.9	-12.3	179.4	-83.6	-175	-34.7	0	0	115.5	S303 P308	S303-Q305 VanDerWaalsContact C-N 3.32Å; S303-Q305 PolarHBondContact O-N 3.13Å; Q305-P308 WeakPolarHBondContact O-CD 3.36Å
306	M	67.2	Low	68	Low	147 Å²	147	119.5 Å²	119.5	72%	0.724	65%	0.645	S	S	*	*	H	α-helix	trans	-77.5	-27	-176.1	-72.4	-65.7	-115.1	0	0	114.4	I309 Y310	M306-I309 PolarHBondContact O-N 3.15Å; M306-Y310 PolarHBondContact O-N 2.9Å
307	L	69.9	Low	70.3	Confident	143 Å²	143	116.8 Å²	116.8	75%	0.749	63%	0.631	S	S	*	*	H	α-helix	trans	-64.1	-45.3	-173.3	-152.2	66.4	0	0	0	115.6	I309 Y310 C311	L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.96Å; L307-Y310 PolarHBondContact O-N 3.21Å; L307-C311 PolarHBondContact O-N 2.9Å
308	P	77.7	Confident	72.8	Confident	86 Å²	86	115.4 Å²	115.4	56%	0.558	61%	0.614	S	S	*	*	H	α-helix	trans	-68.1	-28.5	178.8	26.2	-35	0	0	0	113.1	Q305 C311 S312	Q305-P308 WeakPolarHBondContact O-CD 3.36Å; P308-C311 PolarHBondContact O-N 3.39Å; P308-S312 PolarHBondContact O-N 2.83Å; P308-S312 VanDerWaalsContact O-N 3.15Å
309	I	82.8	Confident	75.2	Confident	95 Å²	95	113.7 Å²	113.7	49%	0.487	60%	0.603	S	S	.	*	H	α-helix	trans	-64.7	-47.1	177.5	-60	173.8	0	0	0	109.7	M306 L307 C311 S312 I313	M306-I309 PolarHBondContact O-N 3.15Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 PolarHBondContact O-N 2.96Å; I309-C311 PolarHBondContact O-N 3.36Å; I309-S312 PolarHBondContact O-N 2.86Å; I309-I313 HydrophobicContact CG2-CD1 3.9Å; I309-I313 WeakPolarHBondContact O-CG1 3.45Å; I309-I313 PolarHBondContact O-N 3.28Å
310	Y	86.3	Confident	77.5	Confident	152 Å²	152	110.5 Å²	110.5	60%	0.596	59%	0.593	S	S	*	*	H	α-helix	trans	-60.4	-43.3	178.6	-167.7	-94.3	0	0	0	112.4	M306 L307 S312 I313 M314	M306-Y310 PolarHBondContact O-N 2.9Å; L307-Y310 PolarHBondContact O-N 3.21Å; Y310-S312 VanDerWaalsContact C-N 3.34Å; Y310-S312 PolarHBondContact O-N 3.45Å; Y310-I313 PolarHBondContact O-N 2.92Å; Y310-M314 HydrophobicContact CD1-CG 3.93Å; Y310-M314 HydrophobicContact CE1-CG 3.61Å; Y310-M314 HydrophobicContact CE1-SD 4.23Å; Y310-M314 WeakPolarHBondContact O-CG 3.45Å; Y310-M314 PolarHBondContact O-N 3.05Å
311	C	87.7	Confident	80	Confident	90 Å²	90	108.6 Å²	108.6	61%	0.608	58%	0.582	S	S	*	*	H	α-helix	trans	-64.1	-38.2	179.3	-158.1	0	0	0	0	112.3	L307 P308 I309 G315	L307-C311 PolarHBondContact O-N 2.9Å; P308-C311 PolarHBondContact O-N 3.39Å; I309-C311 PolarHBondContact O-N 3.36Å; C311-G315 PolarHBondContact O-N 3.09Å
312	S	90.3	Very high	82.3	Confident	75 Å²	75	106 Å²	106	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-65.3	-43.6	175.1	-165.6	0	0	0	0	112.4	P308 I309 Y310 G315 L316	P308-S312 PolarHBondContact O-N 2.83Å; P308-S312 VanDerWaalsContact O-N 3.15Å; I309-S312 PolarHBondContact O-N 2.86Å; Y310-S312 VanDerWaalsContact C-N 3.34Å; Y310-S312 PolarHBondContact O-N 3.45Å; S312-G315 PolarHBondContact O-N 3.09Å; S312-L316 PolarHBondContact O-N 3.03Å
313	I	91.6	Very high	84.3	Confident	87 Å²	87	100.8 Å²	100.8	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-61.9	-46.6	176.3	-67	167.2	0	0	0	110.8	I309 Y310 G315 L316 I317	I309-I313 HydrophobicContact CG2-CD1 3.9Å; I309-I313 WeakPolarHBondContact O-CG1 3.45Å; I309-I313 PolarHBondContact O-N 3.28Å; Y310-I313 PolarHBondContact O-N 2.92Å; I313-G315 VanDerWaalsContact C-N 3.33Å; I313-G315 PolarHBondContact O-N 2.99Å; I313-L316 PolarHBondContact O-N 3.1Å; I313-I317 HydrophobicContact CG2-CD1 3.93Å; I313-I317 WeakPolarHBondContact O-CG1 3.43Å; I313-I317 PolarHBondContact O-N 3.44Å
314	M	91.4	Very high	86.1	Confident	75 Å²	75	103 Å²	103	37%	0.369	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-39	177.2	-69.5	-61.9	-72.8	0	0	112.2	Y310 I317 I318	Y310-M314 HydrophobicContact CD1-CG 3.93Å; Y310-M314 HydrophobicContact CE1-CG 3.61Å; Y310-M314 HydrophobicContact CE1-SD 4.23Å; Y310-M314 WeakPolarHBondContact O-CG 3.45Å; Y310-M314 PolarHBondContact O-N 3.05Å; M314-I317 PolarHBondContact O-N 3Å; M314-I317 HydrophobicContact SD-CD1 4.32Å; M314-I318 WeakPolarHBondContact O-CG1 3.46Å; M314-I318 PolarHBondContact O-N 3.23Å; M314-I318 VanDerWaalsContact O-N 3.07Å
315	G	91.2	Very high	87.9	Confident	28 Å²	28	100.1 Å²	100.1	29%	0.289	54%	0.537	S	S	.	.	H	α-helix	trans	-59.6	-45.1	173.5	0	0	0	0	0	113	C311 S312 I313 I318 I319	C311-G315 PolarHBondContact O-N 3.09Å; S312-G315 PolarHBondContact O-N 3.09Å; I313-G315 VanDerWaalsContact C-N 3.33Å; I313-G315 PolarHBondContact O-N 2.99Å; G315-I318 PolarHBondContact O-N 3.22Å; G315-I319 VanDerWaalsContact O-CG1 3.31Å; G315-I319 WeakPolarHBondContact O-CG1 3.14Å; G315-I319 PolarHBondContact O-N 3.4Å
316	L	94.7	Very high	89.5	Confident	112 Å²	112	97.6 Å²	97.6	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-38.7	177	-70.1	175.4	0	0	0	112.7	S312 I313 I319 S320	S312-L316 PolarHBondContact O-N 3.03Å; I313-L316 PolarHBondContact O-N 3.1Å; L316-I319 PolarHBondContact O-N 3.04Å; L316-S320 VanDerWaalsContact O-CB 3.3Å; L316-S320 WeakPolarHBondContact O-CB 3.45Å; L316-S320 PolarHBondContact O-N 3.47Å
317	I	94.6	Very high	90.8	Very high	87 Å²	87	95.8 Å²	95.8	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-44.9	175.6	-68.1	166	0	0	0	110.7	I313 M314 S320 L321	I313-I317 HydrophobicContact CG2-CD1 3.93Å; I313-I317 WeakPolarHBondContact O-CG1 3.43Å; I313-I317 PolarHBondContact O-N 3.44Å; M314-I317 PolarHBondContact O-N 3Å; M314-I317 HydrophobicContact SD-CD1 4.32Å; I317-S320 PolarHBondContact O-N 3.49Å; I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 PolarHBondContact O-N 2.91Å
318	I	94.4	Very high	91.9	Very high	91 Å²	91	94.8 Å²	94.8	47%	0.467	51%	0.507	S	S	.	.	H	α-helix	trans	-64.7	-45.1	178.3	-67	165.6	0	0	0	111.1	M314 G315 S320 L321 L322	M314-I318 WeakPolarHBondContact O-CG1 3.46Å; M314-I318 PolarHBondContact O-N 3.23Å; M314-I318 VanDerWaalsContact O-N 3.07Å; G315-I318 PolarHBondContact O-N 3.22Å; I318-S320 VanDerWaalsContact C-N 3.33Å; I318-S320 PolarHBondContact O-N 2.95Å; I318-L321 PolarHBondContact O-N 2.99Å; I318-L322 HydrophobicContact CG2-CD1 4.12Å; I318-L322 WeakPolarHBondContact O-CG 2.87Å; I318-L322 PolarHBondContact O-N 3.45Å
319	I	95.2	Very high	92.5	Very high	101 Å²	101	95.7 Å²	95.7	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-42.6	176.9	-69.5	165.8	0	0	0	111	G315 L316 L322 C323	G315-I319 VanDerWaalsContact O-CG1 3.31Å; G315-I319 WeakPolarHBondContact O-CG1 3.14Å; G315-I319 PolarHBondContact O-N 3.4Å; L316-I319 PolarHBondContact O-N 3.04Å; I319-L322 PolarHBondContact O-N 3.18Å; I319-C323 WeakPolarHBondContact O-CB 3.43Å; I319-C323 PolarHBondContact O-N 3.25Å; I319-C323 PolarHBondContact O-SG 3.13Å
320	S	93.6	Very high	92.8	Very high	80 Å²	80	98 Å²	98	56%	0.559	51%	0.509	S	S	*	.	H	α-helix	trans	-64.7	-41.6	178.3	-165.4	0	0	0	0	112	L316 I317 I318 C323 Y324	L316-S320 VanDerWaalsContact O-CB 3.3Å; L316-S320 WeakPolarHBondContact O-CB 3.45Å; L316-S320 PolarHBondContact O-N 3.47Å; I317-S320 PolarHBondContact O-N 3.49Å; I318-S320 VanDerWaalsContact C-N 3.33Å; I318-S320 PolarHBondContact O-N 2.95Å; S320-C323 PolarHBondContact O-N 3.49Å; S320-Y324 WeakPolarHBondContact O-CB 3.45Å; S320-Y324 PolarHBondContact O-N 3.31Å
321	L	95.3	Very high	92.9	Very high	104 Å²	104	98.1 Å²	98.1	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-42.5	173.2	-85.6	166.3	0	0	0	112.8	I317 I318 Y324 V325	I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 PolarHBondContact O-N 2.91Å; I318-L321 PolarHBondContact O-N 2.99Å; L321-Y324 PolarHBondContact O-N 3.15Å; L321-V325 WeakPolarHBondContact O-CG2 3.32Å; L321-V325 PolarHBondContact O-N 3.47Å
322	L	94.8	Very high	92.8	Very high	107 Å²	107	99.6 Å²	99.6	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-45.1	175.6	-72.1	171.4	0	0	0	111.4	I318 I319 Y324 V325 V326	I318-L322 HydrophobicContact CG2-CD1 4.12Å; I318-L322 WeakPolarHBondContact O-CG 2.87Å; I318-L322 PolarHBondContact O-N 3.45Å; I319-L322 PolarHBondContact O-N 3.18Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; L322-Y324 PolarHBondContact O-N 3.32Å; L322-V325 PolarHBondContact O-N 2.94Å; L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.42Å
323	C	95.9	Very high	92.6	Very high	78 Å²	78	105 Å²	105	53%	0.527	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-40.8	174.6	-67.3	0	0	0	0	111.8	I319 S320 V326 Y327	I319-C323 WeakPolarHBondContact O-CB 3.43Å; I319-C323 PolarHBondContact O-N 3.25Å; I319-C323 PolarHBondContact O-SG 3.13Å; S320-C323 PolarHBondContact O-N 3.49Å; C323-V326 PolarHBondContact O-N 3.16Å; C323-Y327 VanDerWaalsContact O-CB 3.29Å; C323-Y327 WeakPolarHBondContact O-CB 3.11Å; C323-Y327 PolarHBondContact O-N 3.14Å
324	Y	95.4	Very high	92.2	Very high	135 Å²	135	104.7 Å²	104.7	53%	0.529	51%	0.512	S	S	.	.	H	α-helix	trans	-64.3	-41.6	175.9	177.8	-93.7	0	0	0	112.6	S320 L321 L322 Y327 K328	S320-Y324 WeakPolarHBondContact O-CB 3.45Å; S320-Y324 PolarHBondContact O-N 3.31Å; L321-Y324 PolarHBondContact O-N 3.15Å; L322-Y324 VanDerWaalsContact C-N 3.32Å; L322-Y324 PolarHBondContact O-N 3.32Å; Y324-Y327 PolarHBondContact O-N 3.39Å; Y324-K328 HydrophobicContact CE1-CD 4.23Å; Y324-K328 WeakPolarHBondContact O-CB 3.36Å; Y324-K328 PolarHBondContact O-N 2.87Å
325	V	95.4	Very high	91.5	Very high	76 Å²	76	104.1 Å²	104.1	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-45.6	175.5	170.5	0	0	0	0	110.9	L321 L322 Y327 K328 L329	L321-V325 WeakPolarHBondContact O-CG2 3.32Å; L321-V325 PolarHBondContact O-N 3.47Å; L322-V325 PolarHBondContact O-N 2.94Å; V325-Y327 PolarHBondContact O-N 3.12Å; V325-K328 PolarHBondContact O-N 2.83Å; V325-L329 HydrophobicContact CG1-CD1 3.94Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.26Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.06Å; V325-L329 PolarHBondContact O-N 3.36Å
326	V	94	Very high	90.7	Very high	100 Å²	100	106 Å²	106	61%	0.606	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-44.2	175.4	173.1	0	0	0	0	111.1	L322 C323 K328 L329 W330	L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.42Å; C323-V326 PolarHBondContact O-N 3.16Å; V326-K328 PolarHBondContact O-N 3.42Å; V326-L329 PolarHBondContact O-N 3.38Å; V326-W330 VanDerWaalsContact O-CB 3.3Å; V326-W330 WeakPolarHBondContact O-CB 3.29Å; V326-W330 PolarHBondContact O-N 3.19Å
327	Y	94.8	Very high	89.7	Confident	109 Å²	109	106.9 Å²	106.9	43%	0.427	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.3	177.7	-99.2	0	0	0	112.3	C323 Y324 V325 W330 R331	C323-Y327 VanDerWaalsContact O-CB 3.29Å; C323-Y327 WeakPolarHBondContact O-CB 3.11Å; C323-Y327 PolarHBondContact O-N 3.14Å; Y324-Y327 PolarHBondContact O-N 3.39Å; V325-Y327 PolarHBondContact O-N 3.12Å; Y327-W330 HydrophobicContact CD2-CE3 4.35Å; Y327-W330 HydrophobicContact CE2-CE3 4.38Å; Y327-W330 HydrophobicContact CE2-CZ3 4.43Å; Y327-W330 PolarHBondContact O-N 3.06Å; Y327-R331 WeakPolarHBondContact O-CB 3.04Å; Y327-R331 PolarHBondContact O-N 2.95Å; Y327-R331 PolarHBondContact OH-NE 3.1Å; Y327-R331 PolarHBondContact OH-NH2 3.3Å
328	K	92.1	Very high	88.3	Confident	122 Å²	122	108.6 Å²	108.6	53%	0.53	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-43.2	179	-171.4	173.1	-179.3	176.8	0	111.6	Y324 V325 V326 W330 R331 Q332	Y324-K328 HydrophobicContact CE1-CD 4.23Å; Y324-K328 WeakPolarHBondContact O-CB 3.36Å; Y324-K328 PolarHBondContact O-N 2.87Å; V325-K328 PolarHBondContact O-N 2.83Å; V326-K328 PolarHBondContact O-N 3.42Å; K328-W330 VanDerWaalsContact C-N 3.34Å; K328-R331 PolarHBondContact O-N 3.26Å; K328-Q332 WeakPolarHBondContact O-CB 3.25Å; K328-Q332 PolarHBondContact O-N 3.35Å
329	L	90.7	Very high	86.7	Confident	105 Å²	105	106.7 Å²	106.7	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-40.2	173.8	-71.3	171.6	0	0	0	111.7	V325 V326 Q332 R333	V325-L329 HydrophobicContact CG1-CD1 3.94Å; V325-L329 HydrophobicContact CG1-CG 4.41Å; V325-L329 WeakPolarHBondContact O-CB 3.26Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.06Å; V325-L329 PolarHBondContact O-N 3.36Å; V326-L329 PolarHBondContact O-N 3.38Å; L329-Q332 PolarHBondContact O-N 3.45Å; L329-R333 WeakPolarHBondContact O-CB 3.46Å; L329-R333 PolarHBondContact O-N 3.01Å
330	W	88.5	Confident	85.1	Confident	143 Å²	143	109.8 Å²	109.8	54%	0.542	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-49.2	176.4	-176.1	67.9	0	0	0	111.8	V326 Y327 K328 Q332 R333 E334	V326-W330 VanDerWaalsContact O-CB 3.3Å; V326-W330 WeakPolarHBondContact O-CB 3.29Å; V326-W330 PolarHBondContact O-N 3.19Å; Y327-W330 HydrophobicContact CD2-CE3 4.35Å; Y327-W330 HydrophobicContact CE2-CE3 4.38Å; Y327-W330 HydrophobicContact CE2-CZ3 4.43Å; Y327-W330 PolarHBondContact O-N 3.06Å; K328-W330 VanDerWaalsContact C-N 3.34Å; W330-Q332 VanDerWaalsContact C-N 3.33Å; W330-Q332 PolarHBondContact O-N 2.82Å; W330-R333 WeakPolarHBondContact O-CA 3.26Å; W330-R333 WeakPolarHBondContact O-CB 3.33Å; W330-R333 PolarHBondContact O-N 3.46Å; W330-E334 WeakPolarHBondContact CZ2-OE1 3.45Å; W330-E334 PolarHBondContact O-N 3.02Å
331	R	89.5	Confident	83.4	Confident	155 Å²	155	112.9 Å²	112.9	59%	0.585	55%	0.554	S	S	*	*	H	α-helix	trans	-59.1	-40.8	174.9	-174.6	-172.8	-88	-149.6	-2.1	112	Y327 K328 R333 E334 A335	Y327-R331 WeakPolarHBondContact O-CB 3.04Å; Y327-R331 PolarHBondContact O-N 2.95Å; Y327-R331 PolarHBondContact OH-NE 3.1Å; Y327-R331 PolarHBondContact OH-NH2 3.3Å; K328-R331 PolarHBondContact O-N 3.26Å; R331-R333 VanDerWaalsContact C-N 3.3Å; R331-R333 PolarHBondContact O-N 3.39Å; R331-E334 PolarHBondContact O-N 3.23Å; R331-A335 PolarHBondContact O-N 3.1Å
332	Q	85.3	Confident	81.6	Confident	121 Å²	121	110.5 Å²	110.5	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-64.2	-35.7	175.6	-170.2	173.4	0.5	0	0	112	K328 L329 W330 A335 S336	K328-Q332 WeakPolarHBondContact O-CB 3.25Å; K328-Q332 PolarHBondContact O-N 3.35Å; L329-Q332 PolarHBondContact O-N 3.45Å; W330-Q332 VanDerWaalsContact C-N 3.33Å; W330-Q332 PolarHBondContact O-N 2.82Å; Q332-A335 PolarHBondContact O-N 3.23Å; Q332-S336 PolarHBondContact O-N 3.2Å; Q332-S336 PolarHBondContact O-OG 3.36Å
333	R	85.3	Confident	79.8	Confident	188 Å²	188	111 Å²	111	71%	0.709	55%	0.552	S	S	*	*	H	α-helix	trans	-71.8	-29.3	176	-154.8	173.1	-166.4	167.1	4.4	113	L329 W330 R331 K337	L329-R333 WeakPolarHBondContact O-CB 3.46Å; L329-R333 PolarHBondContact O-N 3.01Å; W330-R333 WeakPolarHBondContact O-CA 3.26Å; W330-R333 WeakPolarHBondContact O-CB 3.33Å; W330-R333 PolarHBondContact O-N 3.46Å; R331-R333 VanDerWaalsContact C-N 3.3Å; R331-R333 PolarHBondContact O-N 3.39Å; R333-K337 PolarHBondContact O-N 3.09Å
334	E	83.3	Confident	77.8	Confident	82 Å²	82	112.3 Å²	112.3	38%	0.383	56%	0.562	S	S	.	*	H	α-helix	trans	-71.1	-43.7	169.8	-66.7	-161.2	138.4	0	0	112	W330 R331 S336 K337 N338	W330-E334 WeakPolarHBondContact CZ2-OE1 3.45Å; W330-E334 PolarHBondContact O-N 3.02Å; R331-E334 PolarHBondContact O-N 3.23Å; E334-S336 PolarHBondContact O-N 3.31Å; E334-K337 WeakPolarHBondContact O-CB 3.13Å; E334-K337 PolarHBondContact O-N 3.23Å; E334-N338 PolarHBondContact O-N 2.97Å
335	A	77.9	Confident	75.4	Confident	62 Å²	62	115.5 Å²	115.5	51%	0.512	58%	0.575	S	S	.	*	H	α-helix	trans	-57.2	-37.8	172.5	0	0	0	0	0	112.2	R331 Q332 K337 N338 A339	R331-A335 PolarHBondContact O-N 3.1Å; Q332-A335 PolarHBondContact O-N 3.23Å; A335-K337 VanDerWaalsContact C-N 3.28Å; A335-K337 PolarHBondContact O-N 3.49Å; A335-N338 PolarHBondContact O-N 3.12Å; A335-A339 PolarHBondContact O-N 2.71Å; A335-A339 VanDerWaalsContact O-N 3.15Å
336	S	74.1	Confident	73.2	Confident	67 Å²	67	117.1 Å²	117.1	47%	0.469	58%	0.581	S	S	.	*	H	α-helix	trans	-66.4	-23	175.6	-57.9	0	0	0	0	114.4	Q332 E334	Q332-S336 PolarHBondContact O-N 3.2Å; Q332-S336 PolarHBondContact O-OG 3.36Å; E334-S336 PolarHBondContact O-N 3.31Å
337	K	74	Confident	70.9	Confident	131 Å²	131	116.6 Å²	116.6	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-78.3	-38.1	174.2	-70.2	173	-177.4	176.6	0	111.3	R333 E334 A335	R333-K337 PolarHBondContact O-N 3.09Å; E334-K337 WeakPolarHBondContact O-CB 3.13Å; E334-K337 PolarHBondContact O-N 3.23Å; A335-K337 VanDerWaalsContact C-N 3.28Å; A335-K337 PolarHBondContact O-N 3.49Å
338	N	65.1	Low	68.6	Low	124 Å²	124	119 Å²	119	66%	0.663	60%	0.602	S	S	*	*	H	α-helix	trans	-75.7	-34.2	-176.1	-64.9	-5.5	0	0	0	112.5	E334 A335 K340 L341	E334-N338 PolarHBondContact O-N 2.97Å; A335-N338 PolarHBondContact O-N 3.12Å; N338-K340 VanDerWaalsContact C-N 3.28Å; N338-K340 PolarHBondContact O-N 3.35Å; N338-L341 PolarHBondContact O-N 3.4Å
339	A	61	Low	66.3	Low	50 Å²	50	122.4 Å²	122.4	41%	0.413	62%	0.617	S	S	.	*	H	α-helix	trans	-56.7	-40.3	175.5	0	0	0	0	0	112.6	A335 L341 A342 D343	A335-A339 PolarHBondContact O-N 2.71Å; A335-A339 VanDerWaalsContact O-N 3.15Å; A339-L341 PolarHBondContact O-N 2.85Å; A339-A342 PolarHBondContact O-N 1.99Å; A339-D343 PolarHBondContact O-N 2.97Å
340	K	60.5	Low	64.2	Low	167 Å²	167	122.2 Å²	122.2	73%	0.726	62%	0.62	S	S	*	*	H	α-helix	trans	-66.1	-10	-177.1	-68.5	-169	176.4	-166.2	0	115.6	N338	N338-K340 VanDerWaalsContact C-N 3.28Å; N338-K340 PolarHBondContact O-N 3.35Å
341	L	59.3	Low	61.9	Low	145 Å²	145	123 Å²	123	76%	0.759	64%	0.635	S	S	*	*	H	α-helix	trans	-94.5	-20.3	169.2	-91.1	83.5	0	0	0	113.3	N338 A339	N338-L341 PolarHBondContact O-N 3.4Å; A339-L341 PolarHBondContact O-N 2.85Å
342	A	57.3	Low	59.8	Low	53 Å²	53	123.7 Å²	123.7	44%	0.438	65%	0.649	S	S	.	*	H	α-helix	trans	-78.3	-37.5	-178.9	0	0	0	0	0	112.4	A339 S344 Y345	A339-A342 PolarHBondContact O-N 1.99Å; A342-S344 PolarHBondContact O-N 3.4Å; A342-S344 VanDerWaalsContact O-N 3.17Å; A342-Y345 PolarHBondContact O-N 2.8Å
343	D	56.7	Low	57.8	Low	117 Å²	117	125.5 Å²	125.5	63%	0.626	66%	0.662	S	S	*	*	H	α-helix	trans	-62	-27.1	-175.8	-60.4	-31.2	0	0	0	113	A339 Y345	A339-D343 PolarHBondContact O-N 2.97Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.22Å
344	S	54.5	Low	55.6	Low	106 Å²	106	123.4 Å²	123.4	74%	0.741	67%	0.665	S	S	*	*	H	α-helix	trans	-73.7	-12.4	-179.7	-169.5	0	0	0	0	114.8	A342	A342-S344 PolarHBondContact O-N 3.4Å; A342-S344 VanDerWaalsContact O-N 3.17Å
345	Y	44.6	Very low	53.5	Low	203 Å²	203	131.1 Å²	131.1	80%	0.796	69%	0.69	S	S	*	*	H	α-helix	trans	-103.5	-26.9	-176.6	-165.2	-101.8	0	0	0	113.7	A342 D343	A342-Y345 PolarHBondContact O-N 2.8Å; D343-Y345 VanDerWaalsContact C-N 3.29Å; D343-Y345 PolarHBondContact O-N 3.22Å
346	N	48.4	Very low	51.7	Low	110 Å²	110	134.7 Å²	134.7	59%	0.588	71%	0.706	S	S	*	*	H	α-helix	trans	-87.1	-9.1	-177	-73.8	-27.4	0	0	0	114.5	N348	N346-N348 PolarHBondContact O-N 2.97Å
347	S	46.7	Very low	50	Low	89 Å²	89	136.3 Å²	136.3	62%	0.622	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-8.6	-176.3	-168.1	0	0	0	0	115.9
348	N	44.8	Very low	48	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	11.6	-172.2	-71.5	-13.1	0	0	0	114.7	N346	N346-N348 PolarHBondContact O-N 2.97Å
349	K	43.8	Very low	46.7	Very low	194 Å²	194	138 Å²	138	84%	0.843	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	-11.7	-175.5	-165.4	161	-176.1	173.9	0	116.6
350	T	47	Very low	45.4	Very low	101 Å²	101	141.4 Å²	141.4	62%	0.62	75%	0.751	S	S	*	*	S	Bend	trans	-91.2	-7.8	-173.7	43.3	0	0	0	0	114.9	L352	T350-L352 PolarHBondContact O-N 3.37Å
351	D	41.7	Very low	44.2	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	16.6	-165	-145	16	0	0	0	116.1
352	L	44.9	Very low	43.1	Very low	168 Å²	168	141.2 Å²	141.2	88%	0.88	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	1.1	-175.4	-148.7	79.4	0	0	0	116.1	T350	T350-L352 PolarHBondContact O-N 3.37Å
353	L	43.9	Very low	42.2	Very low	160 Å²	160	145.5 Å²	145.5	84%	0.838	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	-5	-174.4	-83.9	164	0	0	0	115.4	R355	L353-R355 PolarHBondContact O-N 2.88Å
354	D	37.3	Very low	41.1	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	79%	0.785	S	S	*	*			trans	-105.1	44.7	-165.4	-152	13.6	0	0	0	113.8
355	R	39.6	Very low	40.3	Very low	245 Å²	245	150.7 Å²	150.7	93%	0.925	78%	0.783	S	S	*	*	S	Bend	trans	-133.5	17.1	-173	-140.3	-177.8	-177.5	115.6	4.7	116.5	L353	L353-R355 PolarHBondContact O-N 2.88Å
356	T	39.8	Very low	39.8	Very low	137 Å²	137	148.8 Å²	148.8	84%	0.84	78%	0.781	S	S	*	*	S	Bend	trans	-133.8	10.8	-169.6	6	0	0	0	0	116
357	S	39.3	Very low	39	Very low	101 Å²	101	155.3 Å²	155.3	71%	0.706	80%	0.797	S	S	*	*	S	Bend	trans	-138.4	60.3	-177.9	60.8	0	0	0	0	114.2
358	C	31.1	Very low	38.2	Very low	117 Å²	117	162 Å²	162	79%	0.791	81%	0.809	S	S	*	*	S	Bend	trans	-171.2	73.5	160.7	-107.4	0	0	0	0	110.7
359	L	38.6	Very low	37.7	Very low	172 Å²	172	162 Å²	162	90%	0.901	81%	0.807	S	S	*	*			trans	-175.6	99.3	168.3	-107.2	156.3	0	0	0	109.4
360	D	32.9	Very low	37	Very low	123 Å²	123	158.1 Å²	158.1	66%	0.658	81%	0.805	S	S	*	*				-169.6	92.6	123.9	-138.3	-27.1	0	0	0	110.6
361	N	36.5	Very low	36.5	Very low	152 Å²	152	159.1 Å²	159.1	81%	0.813	82%	0.816	S	S	*	*	S	Bend	trans	-129.6	124.7	153	-92	-40.4	0	0	0	104.8
362	N	36.6	Very low	36.2	Very low	155 Å²	155	154.8 Å²	154.8	83%	0.829	81%	0.808	S	S	*	*	S	Bend	trans	82.9	57	-175	-47.9	-39.6	0	0	0	118.1
363	H	36.5	Very low	35.8	Very low	144 Å²	144	156 Å²	156	67%	0.667	81%	0.807	S	S	*	*			trans	-154.3	71.1	145.1	-120.6	-71	0	0	0	116.6	Q365	H363-Q365 PolarHBondContact ND1-O 3.33Å
364	L	35.1	Very low	35.5	Very low	183 Å²	183	153.3 Å²	153.3	96%	0.958	80%	0.797	S	S	*	*			trans	-113.2	42.8	165.7	-97.7	166.9	0	0	0	113.9
365	Q	37.1	Very low	35.5	Very low	149 Å²	149	152.5 Å²	152.5	70%	0.696	79%	0.792	S	S	*	*	S	Bend	trans	-137.2	143.1	153.6	-73.5	-160.1	-12	0	0	111.4	H363	H363-Q365 PolarHBondContact ND1-O 3.33Å
366	H	33.3	Very low	35.5	Very low	162 Å²	162	147.3 Å²	147.3	75%	0.75	78%	0.783	S	S	*	*			trans	53.2	103.6	169.5	-66.8	-78	0	0	0	119.1
367	R	33.4	Very low	35.5	Very low	248 Å²	248	145.6 Å²	145.6	94%	0.936	78%	0.777	S	S	*	*				-172.9	143	97.7	-101.6	175.9	179.7	-169	0.5	114.1
368	R	28.6	Very low	35.4	Very low	228 Å²	228	145.4 Å²	145.4	86%	0.86	78%	0.781	S	S	*	*			trans	-85.8	162.5	157.7	-59.2	175.6	-170.3	159.2	1.1	109.1
369	I	35.3	Very low	35.8	Very low	160 Å²	160	147.8 Å²	147.8	82%	0.821	78%	0.78	S	S	*	*			trans	144.7	107.2	130.6	-73.7	158	0	0	0	113.3
370	S	28.6	Very low	35.8	Very low	113 Å²	113	147.1 Å²	147.1	79%	0.79	78%	0.777	S	S	*	*				53.7	123.9	129.1	-155.8	0	0	0	0	124.2
371	S	37.5	Very low	36	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	78%	0.78	S	S	*	*			trans	-171.5	145.4	130.1	52.7	0	0	0	0	108.6
372	G	34.4	Very low	35.8	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	78%	0.78	S	S	*	*			cis	139.1	92.8	-6.4	0	0	0	0	0	113
373	F	35.7	Very low	36	Very low	195 Å²	195	146.8 Å²	146.8	86%	0.855	78%	0.776	S	S	*	*			trans	-179.6	119.2	155.2	-118.8	-122.1	0	0	0	108.7
374	V	38.9	Very low	35.9	Very low	102 Å²	102	144.7 Å²	144.7	62%	0.618	78%	0.777	S	S	*	*				70.8	120.5	86.7	171.1	0	0	0	0	111.6
375	N	36	Very low	36.2	Very low	126 Å²	126	141.6 Å²	141.6	67%	0.674	77%	0.768	S	S	*	*			cis	-160.6	158.2	22.5	-118	-6.2	0	0	0	114.3
376	N	40.7	Very low	36.2	Very low	136 Å²	136	143.9 Å²	143.9	73%	0.727	78%	0.779	S	S	*	*			trans	59.7	149	154.9	-55.8	-12.7	0	0	0	121.2
377	S	39.9	Very low	36.1	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	78%	0.782	S	S	*	*			cis	-173.5	128	-25.4	-91.6	0	0	0	0	109.9
378	A	37.5	Very low	36.1	Very low	96 Å²	96	134 Å²	134	79%	0.793	77%	0.772	S	S	*	*			trans	55.7	150.3	164.8	0	0	0	0	0	118.6
379	H	39.8	Very low	36.4	Very low	167 Å²	167	129.8 Å²	129.8	77%	0.773	77%	0.766	S	S	*	*			cis	-158.3	140.5	20.1	-134.2	-60.6	0	0	0	111.1
380	L	36.8	Very low	36.4	Very low	158 Å²	158	129.3 Å²	129.3	83%	0.827	76%	0.76	S	S	*	*			trans	58.9	137.8	153.8	-126.2	65.9	0	0	0	122.2
381	P	37.3	Very low	36.8	Very low	111 Å²	111	129.9 Å²	129.9	72%	0.721	75%	0.754	S	S	*	*			trans	-114.6	161.3	-173.7	41.5	-33	0	0	0	116.1
382	N	33.9	Very low	36.9	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	74%	0.743	S	S	*	*			trans	-166.8	148.3	141.7	-121.6	-15.2	0	0	0	114.8
383	H	39.5	Very low	36.8	Very low	161 Å²	161	132.9 Å²	132.9	75%	0.745	74%	0.744	S	S	*	*			trans	67.6	118.2	161.7	-85.4	-79.9	0	0	0	124.1
384	S	33.8	Very low	36.9	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	75%	0.745	S	S	*	*			trans	54.5	120.9	132.1	-53.9	0	0	0	0	123.8
385	P	43	Very low	36.9	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	75%	0.754	S	S	*	*			trans	-106.2	131.2	152.7	35	-24.9	0	0	0	111.5
386	Q	35.7	Very low	36.5	Very low	197 Å²	197	133.4 Å²	133.4	92%	0.921	76%	0.764	S	S	*	*				92.3	132.9	62.5	-83.1	-171.8	-5.3	0	0	114.9
387	S	31.4	Very low	36.4	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	76%	0.762	S	S	*	*			trans	-151.6	139.2	174	62.3	0	0	0	0	112.2
388	A	34.7	Very low	36.4	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	77%	0.768	S	S	*	*			trans	74.5	157.4	158.3	0	0	0	0	0	120.5
389	N	35.1	Very low	36.5	Very low	138 Å²	138	133.9 Å²	133.9	74%	0.738	76%	0.764	S	S	*	*			trans	75.8	140.7	178	-63.8	31.2	0	0	0	115.2
390	E	34.8	Very low	36.4	Very low	150 Å²	150	132.3 Å²	132.3	70%	0.701	76%	0.761	S	S	*	*			cis	-168.3	178.2	-2.3	-124.1	175.2	126.5	0	0	112.2
391	L	37.2	Very low	36.4	Very low	126 Å²	126	131.1 Å²	131.1	66%	0.66	76%	0.756	S	S	*	*			trans	83.7	113.4	144.6	-103.8	69.5	0	0	0	124.1
392	N	37.9	Very low	36.4	Very low	116 Å²	116	132.1 Å²	132.1	62%	0.62	76%	0.755	S	S	*	*				79.3	112.2	122.1	-76.8	3.4	0	0	0	125.7
393	N	33	Very low	36.6	Very low	137 Å²	137	131.6 Å²	131.6	73%	0.733	75%	0.751	S	S	*	*				68.3	158.7	113.7	-63.5	-14.3	0	0	0	123.6
394	I	37.5	Very low	36.3	Very low	171 Å²	171	130.2 Å²	130.2	88%	0.877	75%	0.749	S	S	*	*			trans	104.9	131.8	169.5	-58.6	159.9	0	0	0	112.1
395	A	38.8	Very low	36.2	Very low	96 Å²	96	132 Å²	132	79%	0.793	75%	0.751	S	S	*	*			cis	-168.5	148.9	-28.7	0	0	0	0	0	105.6
396	D	29.1	Very low	35.6	Very low	166 Å²	166	134.5 Å²	134.5	89%	0.888	75%	0.752	S	S	*	*			trans	-122.2	149.6	-174.8	-163.7	6.4	0	0	0	111.4
397	S	37.6	Very low	35.4	Very low	100 Å²	100	132.7 Å²	132.7	70%	0.699	75%	0.748	S	S	*	*			trans	-147.7	85.4	-174.8	68.2	0	0	0	0	115.5
398	T	39.5	Very low	35.1	Very low	136 Å²	136	134.9 Å²	134.9	83%	0.834	75%	0.745	S	S	*	*			trans	72.2	152.1	132.1	46.6	0	0	0	0	121.7
399	P	40.7	Very low	34.8	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	76%	0.755	S	S	*	*			trans	-119.5	-169.4	-153.7	44.3	-30.7	0	0	0	113.6
400	D	36.3	Very low	34.4	Very low	133 Å²	133	139.3 Å²	139.3	71%	0.711	75%	0.747	S	S	*	*			trans	-174.3	142.3	134.5	-107.7	1.5	0	0	0	115.8
401	N	37.9	Very low	34	Very low	134 Å²	134	137.8 Å²	137.8	72%	0.717	74%	0.744	S	S	*	*			trans	63.5	152	146.1	-55.9	-30	0	0	0	123
402	D	36.6	Very low	33.5	Very low	131 Å²	131	140.2 Å²	140.2	70%	0.701	76%	0.756	S	S	*	*			cis	-172.7	179.6	-30.5	-160.9	-1.6	0	0	0	109.2
403	I	39.3	Very low	32.9	Very low	140 Å²	140	141.2 Å²	141.2	72%	0.718	76%	0.76	S	S	*	*			trans	90.4	86.7	160.5	-50.5	167.8	0	0	0	119.6
404	N	31.4	Very low	32.7	Very low	132 Å²	132	145.3 Å²	145.3	71%	0.706	77%	0.766	S	S	*	*				52.2	147.7	107.3	-67.1	-29.1	0	0	0	126.7
405	N	33.4	Very low	32.3	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	76%	0.759	S	S	*	*			trans	96.2	109.6	157.2	-61.9	-16.5	0	0	0	117.3
406	Q	30.2	Very low	32	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	76%	0.756	S	S	*	*			cis	90.3	111.4	40.5	-171.1	-168.8	51.4	0	0	113.5
407	L	30.9	Very low	32.1	Very low	160 Å²	160	142.2 Å²	142.2	84%	0.838	75%	0.745	S	S	*	*			trans	-175.9	125.8	134.4	-101.5	152.5	0	0	0	111.3
408	Q	25.3	Very low	31.9	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	75%	0.751	S	S	*	*			trans	-98	157.9	168.4	-69	173.1	-94	0	0	109.9
409	F	28.3	Very low	31.5	Very low	209 Å²	209	144.4 Å²	144.4	92%	0.917	75%	0.747	S	S	*	*			trans	-144.4	145.8	150.1	-119.5	-86.2	0	0	0	110.7
410	N	26.8	Very low	31.3	Very low	108 Å²	108	144.7 Å²	144.7	58%	0.578	75%	0.75	S	S	*	*			trans	-108.7	156.5	-161.7	-92.2	34.8	0	0	0	114.5
411	D	25.6	Very low	31	Very low	119 Å²	119	146.5 Å²	146.5	64%	0.636	76%	0.758	S	S	*	*			trans	43.1	122.6	139.4	-51.1	-37.2	0	0	0	122.3
412	I	28.1	Very low	30.9	Very low	177 Å²	177	148.6 Å²	148.6	91%	0.908	77%	0.768	S	S	*	*			trans	-135.3	134.8	138	-60.9	-174.1	0	0	0	109.3
413	I	24.5	Very low	30.6	Very low	137 Å²	137	145.8 Å²	145.8	70%	0.703	77%	0.77	S	S	*	*			trans	-113.1	153.6	-172.9	-69.6	172.8	0	0	0	111
414	Y	30	Very low	30.1	Very low	222 Å²	222	148.8 Å²	148.8	87%	0.871	78%	0.778	S	S	*	*			trans	154	138.9	143.9	-102.1	-93.8	0	0	0	107.8
415	G	27.9	Very low	30.1	Very low	69 Å²	69	149.2 Å²	149.2	71%	0.711	78%	0.78	S	S	*	*			cis	129.9	127.3	20.8	0	0	0	0	0	106
416	H	33	Very low	29.9	Very low	159 Å²	159	148.3 Å²	148.3	74%	0.736	78%	0.775	S	S	*	*			cis	-163	134.4	48.2	-118.8	-96.5	0	0	0	110.8
417	E	29.9	Very low	29.8	Very low	140 Å²	140	148.4 Å²	148.4	65%	0.654	78%	0.775	S	S	*	*				47.5	117.2	117.4	-153.1	-155.7	151.7	0	0	123
418	K	33.6	Very low	29.8	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	77%	0.773	S	S	*	*				-175.9	136.9	107.9	-98.3	170.9	-174	174.3	0	114.1
419	A	31.9	Very low	29.8	Very low	93 Å²	93	146.4 Å²	146.4	77%	0.769	78%	0.78	S	S	*	*			trans	-151.7	-163.2	174.5	0	0	0	0	0	107.2
420	P	37.1	Very low	30	Very low	116 Å²	116	141.5 Å²	141.5	75%	0.753	77%	0.771	S	S	*	*			cis	-128.2	177	-33	35.5	-20	0	0	0	111.9
421	L	30.2	Very low	30.5	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	77%	0.772	S	S	*	*			trans	-147.3	153.5	149.8	-83.4	-172.5	0	0	0	111.9
422	L	34.4	Very low	31	Very low	177 Å²	177	143.5 Å²	143.5	93%	0.927	78%	0.78	S	S	*	*			trans	81.7	108.9	171.1	-65.3	159	0	0	0	119.4
423	G	31.4	Very low	31.7	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	77%	0.769	S	S	*	*				103	71.7	108.9	0	0	0	0	0	120.2
424	K	28.4	Very low	32.8	Very low	203 Å²	203	136.1 Å²	136.1	88%	0.883	74%	0.744	S	S	*	*			trans	-46.7	149.2	147	-77.2	178.9	176.4	179.6	0	111.1
425	L	30.4	Very low	34	Very low	142 Å²	142	131.5 Å²	131.5	74%	0.743	73%	0.729	S	S	*	*			cis	-132.3	-168.8	0.3	-57.3	85.3	0	0	0	108.2
426	D	30.2	Very low	35.6	Very low	119 Å²	119	135.8 Å²	135.8	64%	0.636	73%	0.73	S	S	*	*			cis	-158.9	179.4	9.3	-143.1	-11.8	0	0	0	115.8	S428	D426-S428 PolarHBondContact O-N 3.34Å
427	H	28.6	Very low	37.4	Very low	172 Å²	172	130.2 Å²	130.2	80%	0.796	70%	0.704	S	S	*	*			trans	-18	103.9	172.8	-78.3	-76.1	0	0	0	120.6
428	S	30.3	Very low	39.5	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	69%	0.687	S	S	*	*			trans	-159.5	50.5	142	49.7	0	0	0	0	113.6	D426 S430	D426-S428 PolarHBondContact O-N 3.34Å; S428-S430 PolarHBondContact O-N 2.93Å
429	N	26	Very low	41.7	Very low	166 Å²	166	116.7 Å²	116.7	89%	0.888	65%	0.648	S	S	*	*			trans	-75	116.2	-178.6	-80.1	-16.4	0	0	0	113.7
430	S	31.7	Very low	43.9	Very low	105 Å²	105	116.4 Å²	116.4	73%	0.734	64%	0.637	S	S	*	*	S	Bend	trans	-173.4	-23.5	146.1	53.7	0	0	0	0	115.2	S428	S428-S430 PolarHBondContact O-N 2.93Å
431	S	37.6	Very low	45.8	Very low	86 Å²	86	113.1 Å²	113.1	60%	0.601	62%	0.615	S	S	*	*	S	Bend	trans	-85.3	-28.7	-168.7	-158.4	0	0	0	0	115.5	N433 N434	S431-N433 PolarHBondContact O-N 3.27Å; S431-N434 PolarHBondContact O-ND2 2.98Å
432	F	35.8	Very low	48.2	Very low	183 Å²	183	105.4 Å²	105.4	80%	0.803	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-70.3	-32.4	-169.6	-115	-95.6	0	0	0	114.9	N434	F432-N434 PolarHBondContact O-N 3.39Å
433	N	43	Very low	50.4	Low	127 Å²	127	99.2 Å²	99.2	68%	0.679	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-72.2	10.6	-172.5	-59.9	14.7	0	0	0	115.3	S431	S431-N433 PolarHBondContact O-N 3.27Å
434	N	46.9	Very low	52.7	Low	32 Å²	32	99.9 Å²	99.9	17%	0.171	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-100.9	-20.5	-175.9	-61.4	-64	0	0	0	113.8	S431 F432 K569	S431-N434 PolarHBondContact O-ND2 2.98Å; F432-N434 PolarHBondContact O-N 3.39Å; N434-K569 VanDerWaalsContact CG-CE 3.45Å; N434-K569 PolarHBondContact ND2-NZ 2.8Å; N434-K569 WeakPolarHBondContact OD1-CE 3.41Å; N434-K569 PolarHBondContact OD1-NZ 3.09Å
435	F	56.6	Low	55.1	Low	126 Å²	126	95.1 Å²	95.1	55%	0.553	51%	0.514	S	S	*	.	S	Bend	trans	-87.8	-22.2	-175.7	-74.3	-96.5	0	0	0	113.1	N541 G543	F435-N541 PolarHBondContact O-OD1 3.46Å; F435-G543 VanDerWaalsContact CD1-CA 3.49Å; F435-G543 WeakPolarHBondContact O-CA 3.4Å; F435-G543 PolarHBondContact O-N 3.25Å
436	E	61	Low	57.6	Low	159 Å²	159	89.5 Å²	89.5	74%	0.743	48%	0.484	S	S	*	.	S	Bend	trans	-88.6	6.3	179.9	-63.3	-177.8	142.6	0	0	114.4
437	Q	70.1	Confident	60.2	Low	41 Å²	41	84 Å²	84	19%	0.192	46%	0.455	C	S	.	.			trans	-69	139.5	178.4	-68.2	-176.4	10.6	0	0	110.8	V441 L542	Q437-V441 HydrophobicContact CB-CG2 4.28Å; Q437-L542 HydrophobicContact CB-CB 4.26Å; Q437-L542 HydrophobicContact CB-CD2 4.06Å; Q437-L542 WeakPolarHBondContact O-CB 2.83Å; Q437-L542 PolarHBondContact O-N 3.4Å
438	P	74.8	Confident	62.9	Low	44 Å²	44	75.9 Å²	75.9	29%	0.286	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-68.9	150.1	173.3	30.2	-34.5	0	0	0	110.1	T440 V441 N538	P438-T440 WeakPolarHBondContact CG-OG1 3.1Å; P438-T440 PolarHBondContact O-N 3.46Å; P438-T440 VanDerWaalsContact O-N 3.09Å; P438-V441 HydrophobicContact CG-CG2 4.11Å; P438-V441 WeakPolarHBondContact O-CB 3.43Å; P438-V441 WeakPolarHBondContact O-CG2 3.24Å; P438-V441 PolarHBondContact O-N 2.85Å; P438-V441 VanDerWaalsContact O-N 3.09Å; P438-N538 VanDerWaalsContact CB-OD1 3.24Å; P438-N538 WeakPolarHBondContact CB-OD1 3.32Å
439	I	79.3	Confident	65.4	Low	1 Å²	1	72.6 Å²	72.6	1%	0.005	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.4	-179.4	-67.5	167.6	0	0	0	111.8	V441 I442 L447 M534 V540 L545	I439-V441 PolarHBondContact O-N 3.39Å; I439-I442 HydrophobicContact CG2-CD1 4.3Å; I439-I442 PolarHBondContact O-N 3.03Å; I439-L447 HydrophobicContact CG2-CD1 4.21Å; I439-M534 HydrophobicContact CD1-CB 3.94Å; I439-M534 HydrophobicContact CD1-CE 4.24Å; I439-M534 HydrophobicContact CD1-SD 4Å; I439-V540 HydrophobicContact CD1-CB 3.96Å; I439-V540 HydrophobicContact CD1-CG1 4.04Å; I439-V540 WeakPolarHBondContact CD1-O 3.33Å; I439-V540 WeakPolarHBondContact CG1-O 3.49Å; I439-L545 HydrophobicContact CD1-CB 4.17Å; I439-L545 HydrophobicContact CD1-CD2 3.95Å; I439-L545 HydrophobicContact CG1-CB 4.47Å; I439-L545 HydrophobicContact CG1-CD2 3.99Å; I439-L545 HydrophobicContact CG2-CD2 4.22Å
440	T	77.1	Confident	68.3	Low	88 Å²	88	64.7 Å²	64.7	54%	0.54	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-58.7	-10.2	174.3	57.1	0	0	0	0	114.9	P438 I442 C535	P438-T440 WeakPolarHBondContact CG-OG1 3.1Å; P438-T440 PolarHBondContact O-N 3.46Å; P438-T440 VanDerWaalsContact O-N 3.09Å; T440-I442 VanDerWaalsContact C-N 3.29Å; T440-C535 HydrophobicContact CG2-CB 4.03Å
441	V	78.4	Confident	70.9	Confident	47 Å²	47	59.7 Å²	59.7	29%	0.285	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-72	-20.6	171.2	174.6	0	0	0	0	112.5	Q437 P438 I439 P443 I568	Q437-V441 HydrophobicContact CB-CG2 4.28Å; P438-V441 HydrophobicContact CG-CG2 4.11Å; P438-V441 WeakPolarHBondContact O-CB 3.43Å; P438-V441 WeakPolarHBondContact O-CG2 3.24Å; P438-V441 PolarHBondContact O-N 2.85Å; P438-V441 VanDerWaalsContact O-N 3.09Å; I439-V441 PolarHBondContact O-N 3.39Å; V441-P443 WeakPolarHBondContact O-CD 2.95Å; V441-I568 HydrophobicContact CG1-CD1 3.67Å; V441-I568 HydrophobicContact CG1-CG2 4.45Å; V441-I568 WeakPolarHBondContact O-CD1 3.34Å
442	I	79.6	Confident	73.2	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.046	29%	0.291	C	S	.	.	S	Bend	trans	-75	125.8	176.3	-60.6	172.3	0	0	0	109.8	I439 T440 I446 L447 I450 L542 L545 I561	I439-I442 HydrophobicContact CG2-CD1 4.3Å; I439-I442 PolarHBondContact O-N 3.03Å; T440-I442 VanDerWaalsContact C-N 3.29Å; I442-I446 HydrophobicContact CG2-CB 4.02Å; I442-I446 HydrophobicContact CG2-CG2 4.08Å; I442-L447 HydrophobicContact CB-CD1 4.37Å; I442-L447 HydrophobicContact CD1-CD1 4.3Å; I442-L447 HydrophobicContact CG2-CB 4.06Å; I442-L447 HydrophobicContact CG2-CD1 4.22Å; I442-I450 HydrophobicContact CD1-CD1 4.27Å; I442-I450 HydrophobicContact CG2-CD1 4.2Å; I442-L542 HydrophobicContact CD1-CD1 3.76Å; I442-L542 HydrophobicContact CG1-CD1 4.15Å; I442-L545 HydrophobicContact CD1-CD2 4.4Å; I442-I561 HydrophobicContact CD1-CD1 4.41Å; I442-I561 HydrophobicContact CD1-CG1 4.22Å; I442-I561 HydrophobicContact CD1-CG2 4.32Å
443	P	81	Confident	75.5	Confident	47 Å²	47	54.7 Å²	54.7	31%	0.305	28%	0.277	S	S	.	.			trans	-57.4	138.2	174.7	-27.2	36.8	0	0	0	113.1	V441 N445 I446 L447	V441-P443 WeakPolarHBondContact O-CD 2.95Å; P443-N445 VanDerWaalsContact C-N 3.26Å; P443-N445 VanDerWaalsContact CB-OD1 3.23Å; P443-N445 WeakPolarHBondContact CB-OD1 3.06Å; P443-N445 PolarHBondContact O-N 3.32Å; P443-N445 VanDerWaalsContact O-N 3.13Å; P443-I446 HydrophobicContact CB-CG1 4.4Å; P443-I446 WeakPolarHBondContact O-CA 3.01Å; P443-I446 PolarHBondContact O-N 3.46Å; P443-L447 PolarHBondContact O-N 2.88Å
444	M	80.5	Confident	77.5	Confident	86 Å²	86	48.8 Å²	48.8	42%	0.424	25%	0.246	S	C	.	.	H	α-helix	trans	-54.3	-35.8	-173.7	-75.1	-71.1	-81.5	0	0	114.3	L447 G448 D483 L484	M444-L447 PolarHBondContact O-N 3.22Å; M444-L447 HydrophobicContact SD-CD2 4.31Å; M444-G448 PolarHBondContact O-N 3.2Å; M444-D483 HydrophobicContact CE-CB 3.87Å; M444-L484 HydrophobicContact CE-CB 3.96Å; M444-L484 HydrophobicContact CE-CD1 4.28Å; M444-L484 HydrophobicContact SD-CD1 4.31Å
445	N	78.5	Confident	79.3	Confident	103 Å²	103	47.6 Å²	47.6	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-64.5	-38.6	175.4	63.8	-38.7	0	0	0	112.5	P443 V449	P443-N445 VanDerWaalsContact C-N 3.26Å; P443-N445 VanDerWaalsContact CB-OD1 3.23Å; P443-N445 WeakPolarHBondContact CB-OD1 3.06Å; P443-N445 PolarHBondContact O-N 3.32Å; P443-N445 VanDerWaalsContact O-N 3.13Å; N445-V449 WeakPolarHBondContact O-CG2 3.09Å; N445-V449 PolarHBondContact O-N 3.44Å
446	I	83.1	Confident	80.3	Confident	24 Å²	24	45 Å²	45	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-75.7	-38.8	175.9	-54.7	-65.1	0	0	0	110.4	I442 P443 G448 V449 I450 Q564	I442-I446 HydrophobicContact CG2-CB 4.02Å; I442-I446 HydrophobicContact CG2-CG2 4.08Å; P443-I446 HydrophobicContact CB-CG1 4.4Å; P443-I446 WeakPolarHBondContact O-CA 3.01Å; P443-I446 PolarHBondContact O-N 3.46Å; I446-G448 VanDerWaalsContact C-N 3.26Å; I446-G448 PolarHBondContact O-N 3.43Å; I446-V449 PolarHBondContact O-N 2.99Å; I446-V449 VanDerWaalsContact O-N 3.13Å; I446-I450 HydrophobicContact CG2-CD1 3.96Å; I446-I450 HydrophobicContact CG2-CG1 4.49Å; I446-I450 WeakPolarHBondContact O-CG1 3.49Å; I446-I450 PolarHBondContact O-N 3.01Å; I446-Q564 HydrophobicContact CB-CG 4.29Å; I446-Q564 HydrophobicContact CD1-CG 4.35Å; I446-Q564 HydrophobicContact CG1-CG 3.83Å; I446-Q564 HydrophobicContact CG2-CG 3.91Å
447	L	84.9	Confident	80.7	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-38.7	174.3	-162.5	63	0	0	0	111.1	I439 I442 P443 M444 I450 C451 L484 F531	I439-L447 HydrophobicContact CG2-CD1 4.21Å; I442-L447 HydrophobicContact CB-CD1 4.37Å; I442-L447 HydrophobicContact CD1-CD1 4.3Å; I442-L447 HydrophobicContact CG2-CB 4.06Å; I442-L447 HydrophobicContact CG2-CD1 4.22Å; P443-L447 PolarHBondContact O-N 2.88Å; M444-L447 PolarHBondContact O-N 3.22Å; M444-L447 HydrophobicContact SD-CD2 4.31Å; L447-I450 PolarHBondContact O-N 3.11Å; L447-C451 WeakPolarHBondContact O-CB 3.45Å; L447-C451 PolarHBondContact O-N 3.18Å; L447-C451 PolarHBondContact O-SG 2.91Å; L447-L484 HydrophobicContact CB-CD1 4.14Å; L447-L484 HydrophobicContact CD2-CD1 3.88Å; L447-L484 HydrophobicContact CD2-CD2 4.3Å; L447-L484 HydrophobicContact CG-CD1 3.88Å; L447-F531 HydrophobicContact CD1-CD1 3.69Å; L447-F531 HydrophobicContact CD1-CE1 3.98Å; L447-F531 HydrophobicContact CG-CD1 4.45Å
448	G	84.4	Confident	81	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-41.3	171.8	0	0	0	0	0	113.5	M444 I446 C451 Y452	M444-G448 PolarHBondContact O-N 3.2Å; I446-G448 VanDerWaalsContact C-N 3.26Å; I446-G448 PolarHBondContact O-N 3.43Å; G448-C451 PolarHBondContact O-N 3.15Å; G448-Y452 WeakPolarHBondContact O-CB 3.45Å; G448-Y452 PolarHBondContact O-N 3.44Å
449	V	83.8	Confident	81.5	Confident	47 Å²	47	42.6 Å²	42.6	29%	0.285	22%	0.218	S	C	.	.	H	α-helix	trans	-63.1	-42.6	172.8	173.8	0	0	0	0	111.4	N445 I446 Y452 R453 A491 L560	N445-V449 WeakPolarHBondContact O-CG2 3.09Å; N445-V449 PolarHBondContact O-N 3.44Å; I446-V449 PolarHBondContact O-N 2.99Å; I446-V449 VanDerWaalsContact O-N 3.13Å; V449-Y452 PolarHBondContact O-N 3.05Å; V449-R453 HydrophobicContact CG1-CG 4.48Å; V449-R453 VanDerWaalsContact O-CG 3.29Å; V449-R453 WeakPolarHBondContact O-CG 3.01Å; V449-R453 PolarHBondContact O-N 3.46Å; V449-A491 HydrophobicContact CB-CB 4.32Å; V449-A491 HydrophobicContact CG2-CB 3.67Å; V449-L560 HydrophobicContact CG1-CD1 4.45Å
450	I	85.7	Confident	81.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-47.8	177.3	-66.5	159.2	0	0	0	110.5	I442 I446 L447 Y452 R453 L454 F531 L557 I561	I442-I450 HydrophobicContact CD1-CD1 4.27Å; I442-I450 HydrophobicContact CG2-CD1 4.2Å; I446-I450 HydrophobicContact CG2-CD1 3.96Å; I446-I450 HydrophobicContact CG2-CG1 4.49Å; I446-I450 WeakPolarHBondContact O-CG1 3.49Å; I446-I450 PolarHBondContact O-N 3.01Å; L447-I450 PolarHBondContact O-N 3.11Å; I450-Y452 PolarHBondContact O-N 3.34Å; I450-R453 PolarHBondContact O-N 3.34Å; I450-L454 HydrophobicContact CG2-CD1 3.66Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.12Å; I450-L454 PolarHBondContact O-N 2.79Å; I450-F531 HydrophobicContact CG2-CE1 4.08Å; I450-F531 HydrophobicContact CG2-CE2 4.4Å; I450-F531 HydrophobicContact CG2-CZ 3.67Å; I450-L557 HydrophobicContact CG1-CD2 4.22Å; I450-I561 HydrophobicContact CD1-CD1 3.87Å; I450-I561 HydrophobicContact CD1-CG1 3.53Å; I450-I561 HydrophobicContact CG1-CG1 4.42Å
451	C	87.1	Confident	82.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-45.1	176.1	-68.8	0	0	0	0	111.6	L447 G448 L454 S455 T488 T527 V528 F531	L447-C451 WeakPolarHBondContact O-CB 3.45Å; L447-C451 PolarHBondContact O-N 3.18Å; L447-C451 PolarHBondContact O-SG 2.91Å; G448-C451 PolarHBondContact O-N 3.15Å; C451-L454 PolarHBondContact O-N 3.02Å; C451-S455 WeakPolarHBondContact O-CB 3.05Å; C451-S455 PolarHBondContact O-N 3.39Å; C451-T488 HydrophobicContact CB-CG2 3.79Å; C451-T488 WeakPolarHBondContact CB-OG1 3.05Å; C451-T527 HydrophobicContact CB-CG2 4.32Å; C451-T527 WeakPolarHBondContact O-CG2 3.22Å; C451-V528 HydrophobicContact CB-CG2 4.4Å; C451-F531 VanDerWaalsContact SG-CD2 3.57Å; C451-F531 VanDerWaalsContact SG-CG 3.55Å
452	Y	85.7	Confident	82.5	Confident	25 Å²	25	48.1 Å²	48.1	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-47.6	178.5	171.7	-114.4	0	0	0	111.7	G448 V449 I450 L454 S455 Q456 Q492 A495 L524	G448-Y452 WeakPolarHBondContact O-CB 3.45Å; G448-Y452 PolarHBondContact O-N 3.44Å; V449-Y452 PolarHBondContact O-N 3.05Å; I450-Y452 PolarHBondContact O-N 3.34Å; Y452-L454 PolarHBondContact O-N 2.82Å; Y452-S455 PolarHBondContact O-N 2.83Å; Y452-S455 PolarHBondContact O-OG 3.49Å; Y452-Q456 PolarHBondContact OH-NE2 3.47Å; Y452-Q492 HydrophobicContact CD2-CB 3.63Å; Y452-Q492 HydrophobicContact CD2-CG 4.13Å; Y452-Q492 HydrophobicContact CE2-CB 3.53Å; Y452-Q492 HydrophobicContact CE2-CG 3.53Å; Y452-Q492 HydrophobicContact CG-CB 4.3Å; Y452-A495 HydrophobicContact CD1-CB 4.25Å; Y452-A495 HydrophobicContact CE1-CB 3.39Å; Y452-L524 HydrophobicContact CD2-CD1 4.38Å
453	R	83.4	Confident	82.8	Confident	138 Å²	138	47.8 Å²	47.8	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-46.5	178	-72.4	-68.7	-164.2	170.1	7.9	112.1	V449 I450 S455 Q456 L557	V449-R453 HydrophobicContact CG1-CG 4.48Å; V449-R453 VanDerWaalsContact O-CG 3.29Å; V449-R453 WeakPolarHBondContact O-CG 3.01Å; V449-R453 PolarHBondContact O-N 3.46Å; I450-R453 PolarHBondContact O-N 3.34Å; R453-S455 VanDerWaalsContact C-N 3.32Å; R453-S455 PolarHBondContact O-N 2.87Å; R453-Q456 PolarHBondContact O-N 3.39Å; R453-L557 HydrophobicContact CB-CD1 4.46Å; R453-L557 HydrophobicContact CB-CD2 3.87Å; R453-L557 HydrophobicContact CG-CD2 4.07Å
454	L	84.8	Confident	83	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	-26.6	-179.8	-70.6	163.3	0	0	0	113.3	I450 C451 Y452 Q456 G458 W459 L462 T527 F531 L549 L557	I450-L454 HydrophobicContact CG2-CD1 3.66Å; I450-L454 WeakPolarHBondContact O-CB 3.4Å; I450-L454 WeakPolarHBondContact O-CG 3.12Å; I450-L454 PolarHBondContact O-N 2.79Å; C451-L454 PolarHBondContact O-N 3.02Å; Y452-L454 PolarHBondContact O-N 2.82Å; L454-Q456 VanDerWaalsContact C-N 3.26Å; L454-Q456 PolarHBondContact O-N 2.8Å; L454-G458 PolarHBondContact O-N 3.15Å; L454-W459 PolarHBondContact O-N 2.92Å; L454-W459 VanDerWaalsContact O-N 3.07Å; L454-L462 HydrophobicContact CD1-CD2 3.69Å; L454-L462 HydrophobicContact CD2-CD2 4.16Å; L454-T527 HydrophobicContact CB-CG2 3.94Å; L454-F531 HydrophobicContact CD1-CE2 3.46Å; L454-F531 VanDerWaalsContact CD1-CE2 3.46Å; L454-F531 HydrophobicContact CD1-CZ 3.53Å; L454-L549 HydrophobicContact CD1-CD2 4.07Å; L454-L549 HydrophobicContact CD2-CD2 3.95Å; L454-L557 HydrophobicContact CD1-CD1 4.23Å; L454-L557 HydrophobicContact CD2-CD1 3.76Å; L454-L557 HydrophobicContact CG-CD1 3.76Å
455	S	84.7	Confident	83.1	Confident	8 Å²	8	48.6 Å²	48.6	6%	0.056	24%	0.241	C	C	.	.	H	α-helix	trans	-67.4	-24.3	175.2	77.5	0	0	0	0	113.9	C451 Y452 R453 N523 L524 T527	C451-S455 WeakPolarHBondContact O-CB 3.05Å; C451-S455 PolarHBondContact O-N 3.39Å; Y452-S455 PolarHBondContact O-N 2.83Å; Y452-S455 PolarHBondContact O-OG 3.49Å; R453-S455 VanDerWaalsContact C-N 3.32Å; R453-S455 PolarHBondContact O-N 2.87Å; S455-N523 WeakPolarHBondContact O-CB 3.39Å; S455-L524 VanDerWaalsContact OG-CD1 3.26Å; S455-L524 WeakPolarHBondContact OG-CD1 3Å; S455-T527 WeakPolarHBondContact CA-OG1 3.37Å
456	Q	79.1	Confident	83.4	Confident	71 Å²	71	44.8 Å²	44.8	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-72.2	-58.4	177.2	-64.3	-167.2	-7.9	0	0	110.6	Y452 R453 L454	Y452-Q456 PolarHBondContact OH-NE2 3.47Å; R453-Q456 PolarHBondContact O-N 3.39Å; L454-Q456 VanDerWaalsContact C-N 3.26Å; L454-Q456 PolarHBondContact O-N 2.8Å
457	H	68.5	Low	83.5	Confident	161 Å²	161	50.6 Å²	50.6	75%	0.745	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153	92.5	-179.2	-62.7	-72.6	0	0	0	111
458	G	76.6	Confident	83.4	Confident	15 Å²	15	51.2 Å²	51.2	16%	0.155	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	159.7	-17.7	169.7	0	0	0	0	0	117.7	L454 Q460 E461 L462	L454-G458 PolarHBondContact O-N 3.15Å; G458-Q460 VanDerWaalsContact C-N 3.32Å; G458-Q460 PolarHBondContact O-N 2.88Å; G458-E461 PolarHBondContact O-N 3.09Å; G458-L462 PolarHBondContact O-N 3.15Å
459	W	84.5	Confident	83.2	Confident	18 Å²	18	56.2 Å²	56.2	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-35.1	-173.2	77.3	-93.6	0	0	0	114.9	L454 L462 A463 T470 N523 M526 T527 M530	L454-W459 PolarHBondContact O-N 2.92Å; L454-W459 VanDerWaalsContact O-N 3.07Å; W459-L462 PolarHBondContact O-N 2.8Å; W459-A463 WeakPolarHBondContact O-CB 3.38Å; W459-A463 PolarHBondContact O-N 3.42Å; W459-T470 HydrophobicContact CZ3-CG2 4.29Å; W459-N523 VanDerWaalsContact NE1-CG 3.34Å; W459-N523 PolarHBondContact NE1-OD1 2.04Å; W459-M526 HydrophobicContact CD2-CB 4.33Å; W459-M526 HydrophobicContact CE3-CB 4.19Å; W459-M526 HydrophobicContact CH2-CB 3.61Å; W459-M526 HydrophobicContact CH2-CE 4.03Å; W459-M526 HydrophobicContact CH2-CG 3.91Å; W459-M526 HydrophobicContact CZ2-CB 3.75Å; W459-M526 HydrophobicContact CZ2-CG 4.12Å; W459-M526 HydrophobicContact CZ3-CB 3.84Å; W459-M526 HydrophobicContact CZ3-CE 4.27Å; W459-T527 HydrophobicContact CB-CG2 4.02Å; W459-T527 WeakPolarHBondContact CB-OG1 3.41Å; W459-T527 VanDerWaalsContact CG-OG1 3.3Å; W459-M530 HydrophobicContact CB-CE 4.44Å
460	Q	85.3	Confident	82.9	Confident	132 Å²	132	57.3 Å²	57.3	62%	0.617	29%	0.286	S	S	*	.	H	α-helix	trans	-70	-42.4	178.9	-61.8	-176	-78.3	0	0	112	G458 A463 S464	G458-Q460 VanDerWaalsContact C-N 3.32Å; G458-Q460 PolarHBondContact O-N 2.88Å; Q460-A463 PolarHBondContact O-N 3.04Å; Q460-S464 PolarHBondContact O-N 2.97Å
461	E	84.4	Confident	82.5	Confident	119 Å²	119	59.6 Å²	59.6	56%	0.556	30%	0.302	S	S	*	.	H	α-helix	trans	-65	-42	174.9	-71.5	179.6	-162.7	0	0	110.3	G458 A463 S464 M465 L552	G458-E461 PolarHBondContact O-N 3.09Å; E461-A463 PolarHBondContact O-N 3.05Å; E461-S464 WeakPolarHBondContact CA-OG 3.44Å; E461-S464 PolarHBondContact O-N 3.4Å; E461-S464 PolarHBondContact O-OG 3.33Å; E461-M465 WeakPolarHBondContact O-CG 3.36Å; E461-M465 PolarHBondContact O-N 2.8Å; E461-L552 HydrophobicContact CB-CD2 3.5Å
462	L	86.9	Confident	82	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-43.5	174.4	-176	57.2	0	0	0	112.6	L454 G458 W459 S464 M465 L466 M530 F531 L545 L549 L552	L454-L462 HydrophobicContact CD1-CD2 3.69Å; L454-L462 HydrophobicContact CD2-CD2 4.16Å; G458-L462 PolarHBondContact O-N 3.15Å; W459-L462 PolarHBondContact O-N 2.8Å; L462-S464 VanDerWaalsContact C-N 3.3Å; L462-S464 PolarHBondContact O-N 2.95Å; L462-M465 PolarHBondContact O-N 3.45Å; L462-L466 HydrophobicContact CD1-CD1 3.58Å; L462-L466 HydrophobicContact CD1-CG 4.03Å; L462-L466 HydrophobicContact CG-CD1 3.86Å; L462-L466 WeakPolarHBondContact O-CB 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.48Å; L462-L466 PolarHBondContact O-N 2.81Å; L462-L466 VanDerWaalsContact O-N 3.13Å; L462-M530 HydrophobicContact CB-CE 4.48Å; L462-M530 HydrophobicContact CD2-CE 3.8Å; L462-M530 HydrophobicContact CG-CE 4.19Å; L462-F531 HydrophobicContact CD2-CE2 4.26Å; L462-F531 HydrophobicContact CD2-CZ 4.24Å; L462-L545 HydrophobicContact CD1-CD1 4.42Å; L462-L545 HydrophobicContact CD2-CD1 4.27Å; L462-L549 HydrophobicContact CD2-CD2 4.13Å; L462-L552 HydrophobicContact CB-CD1 3.59Å; L462-L552 HydrophobicContact CD1-CD1 3.52Å; L462-L552 HydrophobicContact CG-CD1 4.03Å
463	A	85.5	Confident	81.6	Confident	3 Å²	3	62.4 Å²	62.4	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-43.3	173.9	0	0	0	0	0	111.3	W459 Q460 E461 L466 D467 L468 M530	W459-A463 WeakPolarHBondContact O-CB 3.38Å; W459-A463 PolarHBondContact O-N 3.42Å; Q460-A463 PolarHBondContact O-N 3.04Å; E461-A463 PolarHBondContact O-N 3.05Å; A463-L466 PolarHBondContact O-N 2.79Å; A463-D467 PolarHBondContact O-N 3.44Å; A463-L468 HydrophobicContact CB-CB 4.44Å; A463-L468 PolarHBondContact O-N 3.03Å; A463-M530 HydrophobicContact CB-SD 3.79Å
464	S	85.7	Confident	80.7	Confident	78 Å²	78	61.8 Å²	61.8	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-68.2	-35.4	177.5	75.7	0	0	0	0	113.8	Q460 E461 L462 L466 D467	Q460-S464 PolarHBondContact O-N 2.97Å; E461-S464 WeakPolarHBondContact CA-OG 3.44Å; E461-S464 PolarHBondContact O-N 3.4Å; E461-S464 PolarHBondContact O-OG 3.33Å; L462-S464 VanDerWaalsContact C-N 3.3Å; L462-S464 PolarHBondContact O-N 2.95Å; S464-L466 PolarHBondContact O-N 3.2Å; S464-D467 PolarHBondContact O-N 2.88Å
465	M	83.9	Confident	79.8	Confident	71 Å²	71	69.2 Å²	69.2	35%	0.35	36%	0.356	S	S	.	.	H	α-helix	trans	-75.5	-12.2	176.5	-71	-167.9	-165.8	0	0	113.7	E461 L462 K551 L552	E461-M465 WeakPolarHBondContact O-CG 3.36Å; E461-M465 PolarHBondContact O-N 2.8Å; L462-M465 PolarHBondContact O-N 3.45Å; M465-K551 HydrophobicContact CE-CB 4.2Å; M465-K551 HydrophobicContact SD-CB 3.64Å; M465-K551 HydrophobicContact SD-CD 4.37Å; M465-L552 HydrophobicContact CE-CD2 4.26Å; M465-L552 HydrophobicContact CE-CG 4.02Å; M465-L552 HydrophobicContact SD-CD1 4.46Å; M465-L552 HydrophobicContact SD-CG 4.01Å
466	L	84.5	Confident	79	Confident	24 Å²	24	70.3 Å²	70.3	13%	0.126	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	8.8	178.3	-67.1	174.7	0	0	0	112.4	L462 A463 S464 L468 M534 V540 S548	L462-L466 HydrophobicContact CD1-CD1 3.58Å; L462-L466 HydrophobicContact CD1-CG 4.03Å; L462-L466 HydrophobicContact CG-CD1 3.86Å; L462-L466 WeakPolarHBondContact O-CB 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.48Å; L462-L466 PolarHBondContact O-N 2.81Å; L462-L466 VanDerWaalsContact O-N 3.13Å; A463-L466 PolarHBondContact O-N 2.79Å; S464-L466 PolarHBondContact O-N 3.2Å; L466-L468 HydrophobicContact CB-CD1 3.86Å; L466-L468 HydrophobicContact CB-CG 3.74Å; L466-L468 HydrophobicContact CD1-CD1 4.08Å; L466-L468 PolarHBondContact O-N 2.89Å; L466-L468 VanDerWaalsContact O-N 3.15Å; L466-M534 HydrophobicContact CD1-SD 3.68Å; L466-V540 HydrophobicContact CB-CG2 4.33Å; L466-V540 HydrophobicContact CD1-CG1 4.2Å; L466-V540 HydrophobicContact CD1-CG2 4.23Å; L466-V540 HydrophobicContact CD2-CG1 3.7Å; L466-V540 HydrophobicContact CD2-CG2 4.13Å; L466-V540 HydrophobicContact CG-CG2 4.48Å; L466-S548 WeakPolarHBondContact CD2-OG 3.18Å
467	D	84.5	Confident	78.2	Confident	145 Å²	145	70.6 Å²	70.6	78%	0.775	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	34.1	-175.7	-65.2	-49.5	0	0	0	113.5	A463 S464	A463-D467 PolarHBondContact O-N 3.44Å; S464-D467 PolarHBondContact O-N 2.88Å
468	L	83.4	Confident	77.9	Confident	18 Å²	18	67.9 Å²	67.9	9%	0.094	37%	0.368	C	S	.	.			trans	-88.3	112.6	-177.9	-62.1	175.2	0	0	0	111.2	A463 L466 T470 F473 M530 Y533 M534 V540	A463-L468 HydrophobicContact CB-CB 4.44Å; A463-L468 PolarHBondContact O-N 3.03Å; L466-L468 HydrophobicContact CB-CD1 3.86Å; L466-L468 HydrophobicContact CB-CG 3.74Å; L466-L468 HydrophobicContact CD1-CD1 4.08Å; L466-L468 PolarHBondContact O-N 2.89Å; L466-L468 VanDerWaalsContact O-N 3.15Å; L468-T470 PolarHBondContact O-N 2.75Å; L468-F473 HydrophobicContact CB-CE1 4.1Å; L468-F473 HydrophobicContact CB-CZ 3.71Å; L468-F473 HydrophobicContact CD1-CZ 4.39Å; L468-M530 HydrophobicContact CD1-CG 3.88Å; L468-M530 HydrophobicContact CD1-SD 4.36Å; L468-Y533 HydrophobicContact CD2-CD1 4.13Å; L468-Y533 HydrophobicContact CD2-CE1 3.9Å; L468-M534 HydrophobicContact CD1-CG 3.79Å; L468-M534 HydrophobicContact CD1-SD 3.92Å; L468-V540 HydrophobicContact CD2-CG2 4.36Å
469	E	80	Confident	77.2	Confident	105 Å²	105	75.1 Å²	75.1	49%	0.491	40%	0.398	S	S	.	.			trans	-72.3	114.6	178.5	-156	-167.4	150.2	0	0	111.4	S471 K472	E469-S471 WeakPolarHBondContact CG-OG 2.87Å; E469-S471 PolarHBondContact O-N 3.17Å; E469-S471 VanDerWaalsContact O-N 3.15Å; E469-S471 PolarHBondContact OE1-OG 3.45Å; E469-K472 HydrophobicContact CB-CD 4.21Å; E469-K472 HydrophobicContact CB-CG 4.46Å; E469-K472 WeakPolarHBondContact O-CB 3.42Å; E469-K472 PolarHBondContact O-N 3.5Å; E469-K472 VanDerWaalsContact O-N 3.09Å; E469-K472 WeakPolarHBondContact OE2-CE 3.11Å; E469-K472 IonicContact OE2-NZ 2.71Å; E469-K472 PolarHBondContact OE2-NZ 3.26Å
470	T	77.2	Confident	76	Confident	70 Å²	70	77.4 Å²	77.4	43%	0.429	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-61	-27.3	-173.5	51.2	0	0	0	0	114	W459 L468 K472 F473	W459-T470 HydrophobicContact CZ3-CG2 4.29Å; L468-T470 PolarHBondContact O-N 2.75Å; T470-K472 PolarHBondContact O-N 3.29Å; T470-K472 VanDerWaalsContact O-N 3.15Å; T470-F473 HydrophobicContact CG2-CD2 4.3Å; T470-F473 HydrophobicContact CG2-CE2 3.91Å; T470-F473 WeakPolarHBondContact O-CB 3.32Å; T470-F473 PolarHBondContact O-N 2.89Å; T470-F473 VanDerWaalsContact O-N 3.07Å
471	S	76.9	Confident	75.3	Confident	48 Å²	48	72.2 Å²	72.2	34%	0.336	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-56.4	-25.7	175.1	62.1	0	0	0	0	113.8	E469	E469-S471 WeakPolarHBondContact CG-OG 2.87Å; E469-S471 PolarHBondContact O-N 3.17Å; E469-S471 VanDerWaalsContact O-N 3.15Å; E469-S471 PolarHBondContact OE1-OG 3.45Å
472	K	76.3	Confident	74.8	Confident	80 Å²	80	69.3 Å²	69.3	35%	0.348	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-81.3	-19.3	-179.7	-64.3	175.5	-175.6	144.7	0	112.7	E469 T470 Q475 L476 Y533	E469-K472 HydrophobicContact CB-CD 4.21Å; E469-K472 HydrophobicContact CB-CG 4.46Å; E469-K472 WeakPolarHBondContact O-CB 3.42Å; E469-K472 PolarHBondContact O-N 3.5Å; E469-K472 VanDerWaalsContact O-N 3.09Å; E469-K472 WeakPolarHBondContact OE2-CE 3.11Å; E469-K472 IonicContact OE2-NZ 2.71Å; E469-K472 PolarHBondContact OE2-NZ 3.26Å; T470-K472 PolarHBondContact O-N 3.29Å; T470-K472 VanDerWaalsContact O-N 3.15Å; K472-Q475 PolarHBondContact O-N 3.22Å; K472-L476 WeakPolarHBondContact O-CD1 3.02Å; K472-Y533 HydrophobicContact CB-CD2 4.39Å; K472-Y533 HydrophobicContact CB-CE2 3.85Å; K472-Y533 HydrophobicContact CD-CE2 4.42Å; K472-Y533 WeakPolarHBondContact CD-OH 3.08Å
473	F	77.5	Confident	74.5	Confident	3 Å²	3	74.4 Å²	74.4	1%	0.013	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-73.7	-29.2	-178.2	-54.8	-19.5	0	0	0	112.3	L468 T470 Q475 L476 M526 M530 Y533	L468-F473 HydrophobicContact CB-CE1 4.1Å; L468-F473 HydrophobicContact CB-CZ 3.71Å; L468-F473 HydrophobicContact CD1-CZ 4.39Å; T470-F473 HydrophobicContact CG2-CD2 4.3Å; T470-F473 HydrophobicContact CG2-CE2 3.91Å; T470-F473 WeakPolarHBondContact O-CB 3.32Å; T470-F473 PolarHBondContact O-N 2.89Å; T470-F473 VanDerWaalsContact O-N 3.07Å; F473-Q475 PolarHBondContact O-N 3.07Å; F473-L476 WeakPolarHBondContact O-CD1 3.48Å; F473-M526 HydrophobicContact CB-CE 4.46Å; F473-M526 HydrophobicContact CD2-CE 4.02Å; F473-M530 HydrophobicContact CD2-CB 4.13Å; F473-M530 HydrophobicContact CE1-CB 4.28Å; F473-M530 HydrophobicContact CE1-CG 4.23Å; F473-M530 HydrophobicContact CE2-CB 3.72Å; F473-M530 HydrophobicContact CE2-CG 3.92Å; F473-M530 HydrophobicContact CZ-CB 3.81Å; F473-M530 HydrophobicContact CZ-CG 3.61Å; F473-Y533 HydrophobicContact CD1-CD1 4.36Å; F473-Y533 HydrophobicContact CD1-CG 4.08Å; F473-Y533 AromaticContact CE1-CD1 3.97Å; F473-Y533 HydrophobicContact CE1-CD1 3.97Å; F473-Y533 HydrophobicContact CE1-CG 4.15Å
474	D	65.5	Low	74.4	Confident	126 Å²	126	74.2 Å²	74.2	67%	0.674	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-74.3	-10	178.7	-66.5	-35.6	0	0	0	113.4
475	Q	65.2	Low	74.4	Confident	158 Å²	158	73 Å²	73	74%	0.738	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-95.2	-0.6	-176.6	-59.6	-175.5	9	0	0	113.9	K472 F473	K472-Q475 PolarHBondContact O-N 3.22Å; F473-Q475 PolarHBondContact O-N 3.07Å
476	L	67.4	Low	74.5	Confident	32 Å²	32	72.2 Å²	72.2	17%	0.168	40%	0.396	C	S	.	.	S	Bend	trans	-76	142.3	-178.7	-80.9	82.7	0	0	0	112.2	K472 F473 S478 T481 Q532 Y533 L536	K472-L476 WeakPolarHBondContact O-CD1 3.02Å; F473-L476 WeakPolarHBondContact O-CD1 3.48Å; L476-S478 PolarHBondContact O-N 3.3Å; L476-T481 HydrophobicContact CB-CG2 4.47Å; L476-Q532 HydrophobicContact CD2-CB 3.79Å; L476-Q532 HydrophobicContact CD2-CG 3.69Å; L476-Y533 HydrophobicContact CD1-CD2 4.1Å; L476-L536 HydrophobicContact CD2-CD1 3.87Å
477	P	62.2	Low	74.4	Confident	76 Å²	76	71.6 Å²	71.6	49%	0.494	39%	0.394	S	S	.	.			trans	-58.3	128	171.7	-22.1	32.6	0	0	0	111.6	E479 I480	P477-E479 PolarHBondContact O-N 2.83Å; P477-I480 HydrophobicContact CB-CD1 4.28Å; P477-I480 HydrophobicContact CB-CG1 4.29Å; P477-I480 HydrophobicContact CG-CD1 4.14Å; P477-I480 PolarHBondContact O-N 3.27Å
478	S	62.8	Low	74.3	Confident	105 Å²	105	64.7 Å²	64.7	73%	0.734	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.5	-177.5	58.3	0	0	0	0	114.6	L476 T481	L476-S478 PolarHBondContact O-N 3.3Å; S478-T481 PolarHBondContact O-OG1 3.11Å
479	E	61.2	Low	74.3	Confident	166 Å²	166	68.7 Å²	68.7	78%	0.776	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-41	178.6	-148.1	159.5	-146	0	0	110.8	P477 S482	P477-E479 PolarHBondContact O-N 2.83Å; E479-S482 WeakPolarHBondContact O-CB 3.03Å; E479-S482 PolarHBondContact O-N 3.09Å; E479-S482 PolarHBondContact O-OG 2.86Å
480	I	61	Low	74.5	Confident	67 Å²	67	69.6 Å²	69.6	34%	0.344	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-32	-176.3	-43.6	175	0	0	0	111.7	P477 S482 Q532 L536	P477-I480 HydrophobicContact CB-CD1 4.28Å; P477-I480 HydrophobicContact CB-CG1 4.29Å; P477-I480 HydrophobicContact CG-CD1 4.14Å; P477-I480 PolarHBondContact O-N 3.27Å; I480-S482 PolarHBondContact O-N 2.83Å; I480-Q532 HydrophobicContact CG2-CG 4.24Å; I480-Q532 VanDerWaalsContact CG2-NE2 3.34Å; I480-L536 HydrophobicContact CD1-CD1 3.99Å; I480-L536 HydrophobicContact CG2-CD1 4.22Å; I480-L536 HydrophobicContact CG2-CD2 4.32Å
481	T	68.7	Low	74.7	Confident	23 Å²	23	66.8 Å²	66.8	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-70.2	-13.4	176.6	48.2	0	0	0	0	113.2	L476 S478 L485 Q532	L476-T481 HydrophobicContact CB-CG2 4.47Å; S478-T481 PolarHBondContact O-OG1 3.11Å; T481-L485 WeakPolarHBondContact O-CB 3.4Å; T481-L485 PolarHBondContact O-N 2.78Å; T481-Q532 HydrophobicContact CG2-CB 4.21Å; T481-Q532 HydrophobicContact CG2-CG 4.08Å
482	S	75.6	Confident	75	Confident	58 Å²	58	67.2 Å²	67.2	41%	0.406	36%	0.361	S	S	.	.	H	α-helix	trans	-69.4	-40.7	-174.9	72.3	0	0	0	0	114.1	E479 I480 L485 S486	E479-S482 WeakPolarHBondContact O-CB 3.03Å; E479-S482 PolarHBondContact O-N 3.09Å; E479-S482 PolarHBondContact O-OG 2.86Å; I480-S482 PolarHBondContact O-N 2.83Å; S482-L485 PolarHBondContact O-N 3.05Å; S482-S486 PolarHBondContact O-N 2.99Å; S482-S486 PolarHBondContact O-OG 3.33Å
483	D	79.9	Confident	75.3	Confident	106 Å²	106	67.4 Å²	67.4	57%	0.567	37%	0.369	S	S	*	.	H	α-helix	trans	-71.2	-39.5	-179.5	-72.9	-26	0	0	0	112.7	M444 S486 A487	M444-D483 HydrophobicContact CE-CB 3.87Å; D483-S486 PolarHBondContact O-OG 2.91Å; D483-A487 PolarHBondContact O-N 3.32Å; D483-A487 VanDerWaalsContact O-N 3.16Å
484	L	83.4	Confident	75.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-72.1	-35.1	174.7	-175.5	55.6	0	0	0	110.9	M444 L447 T488 V528 F531	M444-L484 HydrophobicContact CE-CB 3.96Å; M444-L484 HydrophobicContact CE-CD1 4.28Å; M444-L484 HydrophobicContact SD-CD1 4.31Å; L447-L484 HydrophobicContact CB-CD1 4.14Å; L447-L484 HydrophobicContact CD2-CD1 3.88Å; L447-L484 HydrophobicContact CD2-CD2 4.3Å; L447-L484 HydrophobicContact CG-CD1 3.88Å; L484-T488 VanDerWaalsContact O-CB 3.27Å; L484-T488 WeakPolarHBondContact O-CB 3.14Å; L484-T488 PolarHBondContact O-N 3.28Å; L484-T488 PolarHBondContact O-OG1 2.9Å; L484-V528 HydrophobicContact CB-CG1 4.01Å; L484-V528 HydrophobicContact CD2-CG1 4.17Å; L484-V528 HydrophobicContact CG-CG1 3.99Å; L484-V528 HydrophobicContact CG-CG2 4.48Å; L484-F531 HydrophobicContact CD2-CB 3.84Å
485	L	85.6	Confident	75.9	Confident	51 Å²	51	66.4 Å²	66.4	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-39.6	174.5	-174.7	62.2	0	0	0	111.9	T481 S482 T488 M489 L524 V528	T481-L485 WeakPolarHBondContact O-CB 3.4Å; T481-L485 PolarHBondContact O-N 2.78Å; S482-L485 PolarHBondContact O-N 3.05Å; L485-T488 PolarHBondContact O-N 3.35Å; L485-M489 HydrophobicContact CG-SD 4.37Å; L485-M489 WeakPolarHBondContact O-CB 3.27Å; L485-M489 WeakPolarHBondContact O-CG 3.42Å; L485-M489 PolarHBondContact O-N 3.46Å; L485-L524 HydrophobicContact CD1-CD2 4.18Å; L485-L524 HydrophobicContact CD1-CG 4.43Å; L485-V528 HydrophobicContact CB-CG1 4.21Å; L485-V528 HydrophobicContact CD1-CG2 4.17Å
486	S	85.2	Confident	76.4	Confident	56 Å²	56	62.4 Å²	62.4	39%	0.392	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-49	177.3	68.9	0	0	0	0	111.3	S482 D483 T488 M489 E490	S482-S486 PolarHBondContact O-N 2.99Å; S482-S486 PolarHBondContact O-OG 3.33Å; D483-S486 PolarHBondContact O-OG 2.91Å; S486-T488 VanDerWaalsContact C-N 3.27Å; S486-T488 PolarHBondContact O-N 3.47Å; S486-M489 PolarHBondContact O-N 2.62Å; S486-M489 VanDerWaalsContact O-N 3.09Å; S486-E490 WeakPolarHBondContact O-CG 3.32Å; S486-E490 PolarHBondContact O-N 2.87Å
487	A	83.2	Confident	76.7	Confident	10 Å²	10	64 Å²	64	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-36.3	174.7	0	0	0	0	0	112.8	D483 A491	D483-A487 PolarHBondContact O-N 3.32Å; D483-A487 VanDerWaalsContact O-N 3.16Å; A487-A491 WeakPolarHBondContact O-CB 3.34Å; A487-A491 PolarHBondContact O-N 3.16Å
488	T	83.2	Confident	76.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-38.8	175.1	-54.7	0	0	0	0	111.7	C451 L484 L485 S486 A491 Q492 L524 V528	C451-T488 HydrophobicContact CB-CG2 3.79Å; C451-T488 WeakPolarHBondContact CB-OG1 3.05Å; L484-T488 VanDerWaalsContact O-CB 3.27Å; L484-T488 WeakPolarHBondContact O-CB 3.14Å; L484-T488 PolarHBondContact O-N 3.28Å; L484-T488 PolarHBondContact O-OG1 2.9Å; L485-T488 PolarHBondContact O-N 3.35Å; S486-T488 VanDerWaalsContact C-N 3.27Å; S486-T488 PolarHBondContact O-N 3.47Å; T488-A491 PolarHBondContact O-N 3.03Å; T488-Q492 PolarHBondContact O-N 3.13Å; T488-L524 HydrophobicContact CG2-CD1 3.49Å; T488-L524 VanDerWaalsContact CG2-CD1 3.49Å; T488-L524 HydrophobicContact CG2-CG 4.15Å; T488-V528 HydrophobicContact CG2-CG2 4.18Å
489	M	83.6	Confident	76.8	Confident	102 Å²	102	65.8 Å²	65.8	50%	0.502	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-37.3	174.4	-76.5	-178.3	56.8	0	0	112.4	L485 S486 Q492 T493 L524	L485-M489 HydrophobicContact CG-SD 4.37Å; L485-M489 WeakPolarHBondContact O-CB 3.27Å; L485-M489 WeakPolarHBondContact O-CG 3.42Å; L485-M489 PolarHBondContact O-N 3.46Å; S486-M489 PolarHBondContact O-N 2.62Å; S486-M489 VanDerWaalsContact O-N 3.09Å; M489-Q492 WeakPolarHBondContact O-CB 3.48Å; M489-Q492 PolarHBondContact O-N 3.19Å; M489-T493 WeakPolarHBondContact O-CG2 3.3Å; M489-T493 PolarHBondContact O-N 3.05Å; M489-T493 PolarHBondContact O-OG1 2.92Å; M489-L524 HydrophobicContact CG-CD2 4.41Å
490	E	83.3	Confident	76.7	Confident	125 Å²	125	64.5 Å²	64.5	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-61.4	-45.6	171.9	-73.1	-179.7	176.1	0	0	111.1	S486 Q492 T493 T494	S486-E490 WeakPolarHBondContact O-CG 3.32Å; S486-E490 PolarHBondContact O-N 2.87Å; E490-Q492 VanDerWaalsContact C-N 3.33Å; E490-Q492 PolarHBondContact O-N 3.17Å; E490-T493 PolarHBondContact O-N 3.44Å; E490-T493 PolarHBondContact O-OG1 3.48Å; E490-T494 WeakPolarHBondContact O-CB 3.43Å; E490-T494 PolarHBondContact O-N 2.04Å; E490-T494 PolarHBondContact O-OG1 3.48Å
491	A	80.3	Confident	76.9	Confident	10 Å²	10	67.9 Å²	67.9	8%	0.083	37%	0.365	C	S	.	.	H	α-helix	trans	-59.2	-41	173.4	0	0	0	0	0	112.7	V449 A487 T488 T494 A495	V449-A491 HydrophobicContact CB-CB 4.32Å; V449-A491 HydrophobicContact CG2-CB 3.67Å; A487-A491 WeakPolarHBondContact O-CB 3.34Å; A487-A491 PolarHBondContact O-N 3.16Å; T488-A491 PolarHBondContact O-N 3.03Å; A491-T494 PolarHBondContact O-N 3.49Å; A491-A495 WeakPolarHBondContact O-CB 3.14Å; A491-A495 PolarHBondContact O-N 3.48Å
492	Q	83.7	Confident	75.8	Confident	58 Å²	58	71.3 Å²	71.3	27%	0.271	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-52.7	172.3	174.8	174.4	-2.5	0	0	111.5	Y452 T488 M489 E490 T494 A495 E496	Y452-Q492 HydrophobicContact CD2-CB 3.63Å; Y452-Q492 HydrophobicContact CD2-CG 4.13Å; Y452-Q492 HydrophobicContact CE2-CB 3.53Å; Y452-Q492 HydrophobicContact CE2-CG 3.53Å; Y452-Q492 HydrophobicContact CG-CB 4.3Å; T488-Q492 PolarHBondContact O-N 3.13Å; M489-Q492 WeakPolarHBondContact O-CB 3.48Å; M489-Q492 PolarHBondContact O-N 3.19Å; E490-Q492 VanDerWaalsContact C-N 3.33Å; E490-Q492 PolarHBondContact O-N 3.17Å; Q492-T494 PolarHBondContact O-N 3.48Å; Q492-A495 PolarHBondContact O-N 3.3Å; Q492-A495 VanDerWaalsContact O-N 3.17Å; Q492-E496 HydrophobicContact CG-CG 4.39Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.42Å; Q492-E496 PolarHBondContact NE2-OE1 2.87Å; Q492-E496 WeakPolarHBondContact O-CG 3.42Å; Q492-E496 PolarHBondContact O-N 3.39Å
493	T	82.3	Confident	74.7	Confident	84 Å²	84	73.3 Å²	73.3	52%	0.515	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-33.5	-178.4	58.8	0	0	0	0	112.7	M489 E490 S497	M489-T493 WeakPolarHBondContact O-CG2 3.3Å; M489-T493 PolarHBondContact O-N 3.05Å; M489-T493 PolarHBondContact O-OG1 2.92Å; E490-T493 PolarHBondContact O-N 3.44Å; E490-T493 PolarHBondContact O-OG1 3.48Å; T493-S497 WeakPolarHBondContact O-CB 3.46Å; T493-S497 PolarHBondContact O-N 3.34Å; T493-S497 PolarHBondContact O-OG 2.93Å
494	T	80.6	Confident	73.4	Confident	71 Å²	71	75.4 Å²	75.4	44%	0.436	40%	0.402	S	S	.	.	H	α-helix	trans	-68.7	-44.6	174.9	-55.3	0	0	0	0	111.1	E490 A491 Q492 E496 S497 H498	E490-T494 WeakPolarHBondContact O-CB 3.43Å; E490-T494 PolarHBondContact O-N 2.04Å; E490-T494 PolarHBondContact O-OG1 3.48Å; A491-T494 PolarHBondContact O-N 3.49Å; Q492-T494 PolarHBondContact O-N 3.48Å; T494-E496 PolarHBondContact O-N 2.9Å; T494-S497 PolarHBondContact O-N 2.82Å; T494-S497 PolarHBondContact O-OG 3.01Å; T494-H498 PolarHBondContact O-CD2 3.14Å; T494-H498 PolarHBondContact O-N 3.24Å; T494-H498 VanDerWaalsContact O-N 3.07Å
495	A	75.4	Confident	71.6	Confident	37 Å²	37	82 Å²	82	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-64.6	-39.2	175.4	0	0	0	0	0	112.4	Y452 A491 Q492 L499	Y452-A495 HydrophobicContact CD1-CB 4.25Å; Y452-A495 HydrophobicContact CE1-CB 3.39Å; A491-A495 WeakPolarHBondContact O-CB 3.14Å; A491-A495 PolarHBondContact O-N 3.48Å; Q492-A495 PolarHBondContact O-N 3.3Å; Q492-A495 VanDerWaalsContact O-N 3.17Å; A495-L499 WeakPolarHBondContact O-CB 3.02Å; A495-L499 PolarHBondContact O-N 2.91Å
496	E	76.8	Confident	69.4	Low	74 Å²	74	86.5 Å²	86.5	35%	0.346	46%	0.461	S	S	.	.	H	α-helix	trans	-68.4	-33.3	176.1	-74.1	-177	-160	0	0	113.2	Q492 T494 K500	Q492-E496 HydrophobicContact CG-CG 4.39Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.42Å; Q492-E496 PolarHBondContact NE2-OE1 2.87Å; Q492-E496 WeakPolarHBondContact O-CG 3.42Å; Q492-E496 PolarHBondContact O-N 3.39Å; T494-E496 PolarHBondContact O-N 2.9Å; E496-K500 WeakPolarHBondContact O-CG 3.45Å; E496-K500 PolarHBondContact O-N 3.47Å; E496-K500 VanDerWaalsContact O-N 3.1Å
497	S	73.6	Confident	67.2	Low	64 Å²	64	89.1 Å²	89.1	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-71.9	-43.5	175.7	67.8	0	0	0	0	111.5	T493 T494 L499 K500 Q501	T493-S497 WeakPolarHBondContact O-CB 3.46Å; T493-S497 PolarHBondContact O-N 3.34Å; T493-S497 PolarHBondContact O-OG 2.93Å; T494-S497 PolarHBondContact O-N 2.82Å; T494-S497 PolarHBondContact O-OG 3.01Å; S497-L499 VanDerWaalsContact C-N 3.33Å; S497-L499 PolarHBondContact O-N 2.88Å; S497-K500 PolarHBondContact O-N 2.78Å; S497-Q501 PolarHBondContact O-N 2.85Å
498	H	65.9	Low	65.2	Low	121 Å²	121	95.4 Å²	95.4	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-60.1	-40.9	172.1	-77.4	-66.9	0	0	0	112.4	T494 K500 Q501 C502	T494-H498 PolarHBondContact O-CD2 3.14Å; T494-H498 PolarHBondContact O-N 3.24Å; T494-H498 VanDerWaalsContact O-N 3.07Å; H498-K500 VanDerWaalsContact C-N 3.34Å; H498-K500 PolarHBondContact O-N 2.73Å; H498-Q501 PolarHBondContact O-N 2.82Å; H498-C502 PolarHBondContact O-N 3.09Å; H498-C502 PolarHBondContact O-SG 3.26Å; H498-C502 VanDerWaalsContact O-SG 3.38Å
499	L	59.8	Low	62.7	Low	98 Å²	98	101.6 Å²	101.6	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-64.6	-37.7	176.8	-165.3	75.2	0	0	0	112.2	A495 S497 N503	A495-L499 WeakPolarHBondContact O-CB 3.02Å; A495-L499 PolarHBondContact O-N 2.91Å; S497-L499 VanDerWaalsContact C-N 3.33Å; S497-L499 PolarHBondContact O-N 2.88Å; L499-N503 VanDerWaalsContact O-CB 3.32Å; L499-N503 WeakPolarHBondContact O-CB 3.5Å; L499-N503 VanDerWaalsContact O-CG 3.27Å; L499-N503 PolarHBondContact O-N 3.37Å; L499-N503 VanDerWaalsContact O-N 3.13Å; L499-N503 PolarHBondContact O-ND2 2.68Å
500	K	60.3	Low	60.6	Low	140 Å²	140	104.4 Å²	104.4	61%	0.609	57%	0.565	S	S	*	*	H	α-helix	trans	-66.4	-41	174.7	-75.7	167	-175.5	161.2	0	112.1	E496 S497 H498 N503	E496-K500 WeakPolarHBondContact O-CG 3.45Å; E496-K500 PolarHBondContact O-N 3.47Å; E496-K500 VanDerWaalsContact O-N 3.1Å; S497-K500 PolarHBondContact O-N 2.78Å; H498-K500 VanDerWaalsContact C-N 3.34Å; H498-K500 PolarHBondContact O-N 2.73Å; K500-N503 PolarHBondContact O-N 2.75Å
501	Q	63.6	Low	58.1	Low	138 Å²	138	106.9 Å²	106.9	65%	0.645	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-40.7	177.4	-164.4	69.1	26.7	0	0	112.1	S497 H498	S497-Q501 PolarHBondContact O-N 2.85Å; H498-Q501 PolarHBondContact O-N 2.82Å
502	C	47.4	Very low	56	Low	94 Å²	94	110.2 Å²	110.2	64%	0.635	60%	0.597	S	S	*	*	H	α-helix	trans	-75.1	-26.1	179.7	-67.2	0	0	0	0	114	H498 Q504	H498-C502 PolarHBondContact O-N 3.09Å; H498-C502 PolarHBondContact O-SG 3.26Å; H498-C502 VanDerWaalsContact O-SG 3.38Å; C502-Q504 VanDerWaalsContact C-N 3.27Å; C502-Q504 PolarHBondContact O-N 2.75Å
503	N	52.6	Low	53.8	Low	101 Å²	101	112.6 Å²	112.6	54%	0.54	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	4.3	-175.6	-81.4	-10.7	0	0	0	114.8	L499 K500	L499-N503 VanDerWaalsContact O-CB 3.32Å; L499-N503 WeakPolarHBondContact O-CB 3.5Å; L499-N503 VanDerWaalsContact O-CG 3.27Å; L499-N503 PolarHBondContact O-N 3.37Å; L499-N503 VanDerWaalsContact O-N 3.13Å; L499-N503 PolarHBondContact O-ND2 2.68Å; K500-N503 PolarHBondContact O-N 2.75Å
504	Q	52.8	Low	51.6	Low	150 Å²	150	113.7 Å²	113.7	70%	0.701	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-15.8	177.7	-76.8	176.1	-99.9	0	0	114.3	C502	C502-Q504 VanDerWaalsContact C-N 3.27Å; C502-Q504 PolarHBondContact O-N 2.75Å
505	D	45.4	Very low	49.5	Very low	139 Å²	139	117.6 Å²	117.6	74%	0.743	64%	0.636	S	S	*	*	S	Bend	trans	-116.4	3.6	-172.3	-83.1	-35.2	0	0	0	116.5
506	N	38.8	Very low	48.1	Very low	144 Å²	144	119.3 Å²	119.3	77%	0.77	64%	0.64	S	S	*	*			trans	-141.6	95.6	174.4	-92.8	-55.7	0	0	0	113.9	N508	N506-N508 VanDerWaalsContact C-N 3.35Å; N506-N508 PolarHBondContact O-N 2.03Å
507	S	38.4	Very low	47.2	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	66%	0.656	S	S	*	*			trans	-72.2	88.8	160.1	176.2	0	0	0	0	109.8
508	N	41.5	Very low	46.5	Very low	141 Å²	141	124.8 Å²	124.8	75%	0.754	67%	0.667	S	S	*	*	S	Bend	trans	180	119.9	137.5	-87.4	-27.5	0	0	0	112.4	N506	N506-N508 VanDerWaalsContact C-N 3.35Å; N506-N508 PolarHBondContact O-N 2.03Å
509	T	31.5	Very low	46.6	Very low	131 Å²	131	123 Å²	123	80%	0.804	66%	0.661	S	S	*	*	S	Bend	trans	68.2	64.4	150.5	-36.8	0	0	0	0	119.5
510	I	38.2	Very low	46.9	Very low	161 Å²	161	121.2 Å²	121.2	83%	0.826	65%	0.652	S	S	*	*			trans	-136.6	123.6	131	-58.3	-175.2	0	0	0	107.6
511	Q	31.7	Very low	47.4	Very low	176 Å²	176	121.2 Å²	121.2	82%	0.822	65%	0.652	S	S	*	*			trans	-73.2	133.4	176.4	-72.6	-167.5	-4.4	0	0	110.7
512	P	36.3	Very low	48.1	Very low	80 Å²	80	119.3 Å²	119.3	52%	0.519	65%	0.647	S	S	.	*			trans	-66.1	135.7	169.1	29.4	-34	0	0	0	109.6	T514	P512-T514 VanDerWaalsContact C-N 3.27Å; P512-T514 HydrophobicContact CB-CG2 4.11Å; P512-T514 HydrophobicContact CG-CG2 4.19Å; P512-T514 PolarHBondContact O-N 3.33Å; P512-T514 PolarHBondContact O-OG1 2.88Å
513	I	37.7	Very low	49.8	Very low	108 Å²	108	116.8 Å²	116.8	55%	0.554	63%	0.627	S	S	*	*			trans	-68.3	83.4	-178.4	-54.9	172	0	0	0	109.5
514	T	36.4	Very low	51.4	Low	108 Å²	108	112.5 Å²	112.5	66%	0.663	60%	0.604	S	S	*	*			trans	-115.1	26.7	-171.4	45.1	0	0	0	0	112.6	P512	P512-T514 VanDerWaalsContact C-N 3.27Å; P512-T514 HydrophobicContact CB-CG2 4.11Å; P512-T514 HydrophobicContact CG-CG2 4.19Å; P512-T514 PolarHBondContact O-N 3.33Å; P512-T514 PolarHBondContact O-OG1 2.88Å
515	N	35.8	Very low	52.9	Low	153 Å²	153	108 Å²	108	82%	0.818	59%	0.587	S	S	*	*	S	Bend	trans	-139.4	35.4	-175.7	-137.9	6.7	0	0	0	115
516	N	46	Very low	54.7	Low	72 Å²	72	103.1 Å²	103.1	39%	0.385	56%	0.56	S	S	.	*			trans	-161	50.6	161.1	-127.6	-27.8	0	0	0	116.1	N518 N519 N520	N516-N518 PolarHBondContact O-N 3.05Å; N516-N518 VanDerWaalsContact O-N 3.08Å; N516-N519 HydrophobicContact CB-CB 4.16Å; N516-N519 PolarHBondContact ND2-ND2 2.92Å; N516-N519 VanDerWaalsContact ND2-ND2 3.19Å; N516-N519 PolarHBondContact O-N 2.59Å; N516-N519 VanDerWaalsContact O-N 3.17Å; N516-N519 WeakPolarHBondContact OD1-CB 3.37Å; N516-N519 VanDerWaalsContact OD1-CG 3.23Å; N516-N519 PolarHBondContact OD1-ND2 2.99Å; N516-N520 WeakPolarHBondContact O-CB 3.49Å; N516-N520 VanDerWaalsContact O-CG 3.3Å; N516-N520 PolarHBondContact O-N 2.63Å; N516-N520 PolarHBondContact O-OD1 2.88Å
517	N	56.8	Low	56.9	Low	129 Å²	129	96.3 Å²	96.3	69%	0.69	52%	0.523	S	S	*	.	H	α-helix	trans	-54.6	-33	-175.8	-81.8	-5.8	0	0	0	115	K521	N517-K521 VanDerWaalsContact O-CB 3.28Å; N517-K521 WeakPolarHBondContact O-CB 3.39Å; N517-K521 PolarHBondContact O-N 2.96Å; N517-K521 VanDerWaalsContact O-N 3.11Å
518	N	60.6	Low	59.2	Low	125 Å²	125	91 Å²	91	67%	0.668	49%	0.486	S	S	*	.	H	α-helix	trans	-76.3	-46.6	177.1	-73.1	-5.8	0	0	0	112	N516 N520 K521 N522	N516-N518 PolarHBondContact O-N 3.05Å; N516-N518 VanDerWaalsContact O-N 3.08Å; N518-N520 VanDerWaalsContact C-N 3.34Å; N518-N520 PolarHBondContact O-N 2.91Å; N518-K521 PolarHBondContact O-N 2.98Å; N518-N522 WeakPolarHBondContact O-CB 3.34Å; N518-N522 VanDerWaalsContact O-CG 3.28Å; N518-N522 PolarHBondContact O-N 3.24Å; N518-N522 PolarHBondContact O-OD1 3.13Å
519	N	67	Low	61.3	Low	83 Å²	83	84.9 Å²	84.9	44%	0.444	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-37.4	178.1	-66.9	4.8	0	0	0	111.4	N516 N522 N523	N516-N519 HydrophobicContact CB-CB 4.16Å; N516-N519 PolarHBondContact ND2-ND2 2.92Å; N516-N519 VanDerWaalsContact ND2-ND2 3.19Å; N516-N519 PolarHBondContact O-N 2.59Å; N516-N519 VanDerWaalsContact O-N 3.17Å; N516-N519 WeakPolarHBondContact OD1-CB 3.37Å; N516-N519 VanDerWaalsContact OD1-CG 3.23Å; N516-N519 PolarHBondContact OD1-ND2 2.99Å; N519-N522 PolarHBondContact O-N 3.43Å; N519-N523 WeakPolarHBondContact O-CB 3.01Å; N519-N523 PolarHBondContact O-N 2.75Å
520	N	65.6	Low	63.9	Low	61 Å²	61	78.7 Å²	78.7	33%	0.326	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-41.5	174.6	-69.1	8.2	0	0	0	111.1	N516 N518 N523 L524	N516-N520 WeakPolarHBondContact O-CB 3.49Å; N516-N520 VanDerWaalsContact O-CG 3.3Å; N516-N520 PolarHBondContact O-N 2.63Å; N516-N520 PolarHBondContact O-OD1 2.88Å; N518-N520 VanDerWaalsContact C-N 3.34Å; N518-N520 PolarHBondContact O-N 2.91Å; N520-N523 PolarHBondContact O-N 2.03Å; N520-L524 VanDerWaalsContact O-CB 3.31Å; N520-L524 WeakPolarHBondContact O-CB 3.05Å; N520-L524 PolarHBondContact O-N 2.68Å
521	K	71.7	Confident	66.2	Low	140 Å²	140	71 Å²	71	61%	0.609	38%	0.377	S	S	*	.	H	α-helix	trans	-64.2	-42.7	174.4	-172.8	-179.8	178.6	-171.5	0	111.8	N517 N518 L524 T525	N517-K521 VanDerWaalsContact O-CB 3.28Å; N517-K521 WeakPolarHBondContact O-CB 3.39Å; N517-K521 PolarHBondContact O-N 2.96Å; N517-K521 VanDerWaalsContact O-N 3.11Å; N518-K521 PolarHBondContact O-N 2.98Å; K521-L524 WeakPolarHBondContact O-CB 2.98Å; K521-L524 PolarHBondContact O-N 3.38Å; K521-T525 PolarHBondContact O-N 2.89Å; K521-T525 PolarHBondContact O-OG1 2.86Å
522	N	78.9	Confident	68.7	Low	98 Å²	98	63.4 Å²	63.4	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-45.3	176.6	-69.2	0.7	0	0	0	111.1	N518 N519 L524 T525 M526	N518-N522 WeakPolarHBondContact O-CB 3.34Å; N518-N522 VanDerWaalsContact O-CG 3.28Å; N518-N522 PolarHBondContact O-N 3.24Å; N518-N522 PolarHBondContact O-OD1 3.13Å; N519-N522 PolarHBondContact O-N 3.43Å; N522-L524 VanDerWaalsContact C-N 3.32Å; N522-L524 PolarHBondContact O-N 3.34Å; N522-T525 PolarHBondContact O-N 3.47Å; N522-M526 WeakPolarHBondContact O-CB 3.27Å; N522-M526 VanDerWaalsContact O-CG 3.29Å; N522-M526 WeakPolarHBondContact O-CG 3.03Å; N522-M526 PolarHBondContact O-N 2.86Å
523	N	83.1	Confident	71	Confident	41 Å²	41	61.3 Å²	61.3	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-42.5	173.9	-74.6	-9.5	0	0	0	111.9	S455 W459 N519 N520 M526 T527	S455-N523 WeakPolarHBondContact O-CB 3.39Å; W459-N523 VanDerWaalsContact NE1-CG 3.34Å; W459-N523 PolarHBondContact NE1-OD1 2.04Å; N519-N523 WeakPolarHBondContact O-CB 3.01Å; N519-N523 PolarHBondContact O-N 2.75Å; N520-N523 PolarHBondContact O-N 2.03Å; N523-M526 PolarHBondContact O-N 2.91Å; N523-T527 WeakPolarHBondContact O-CB 3.41Å; N523-T527 PolarHBondContact O-N 3.49Å; N523-T527 PolarHBondContact O-OG1 3.48Å
524	L	85	Confident	73.2	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-50.2	175.5	-164.3	73.9	0	0	0	110.9	Y452 S455 L485 T488 M489 N520 K521 N522 T527 V528	Y452-L524 HydrophobicContact CD2-CD1 4.38Å; S455-L524 VanDerWaalsContact OG-CD1 3.26Å; S455-L524 WeakPolarHBondContact OG-CD1 3Å; L485-L524 HydrophobicContact CD1-CD2 4.18Å; L485-L524 HydrophobicContact CD1-CG 4.43Å; T488-L524 HydrophobicContact CG2-CD1 3.49Å; T488-L524 VanDerWaalsContact CG2-CD1 3.49Å; T488-L524 HydrophobicContact CG2-CG 4.15Å; M489-L524 HydrophobicContact CG-CD2 4.41Å; N520-L524 VanDerWaalsContact O-CB 3.31Å; N520-L524 WeakPolarHBondContact O-CB 3.05Å; N520-L524 PolarHBondContact O-N 2.68Å; K521-L524 WeakPolarHBondContact O-CB 2.98Å; K521-L524 PolarHBondContact O-N 3.38Å; N522-L524 VanDerWaalsContact C-N 3.32Å; N522-L524 PolarHBondContact O-N 3.34Å; L524-T527 PolarHBondContact O-N 3.03Å; L524-V528 WeakPolarHBondContact O-CB 3.37Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 3.25Å
525	T	84	Confident	75.4	Confident	56 Å²	56	52 Å²	52	34%	0.344	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-45	177.9	-56.7	0	0	0	0	111.6	K521 N522 T527 V528 S529	K521-T525 PolarHBondContact O-N 2.89Å; K521-T525 PolarHBondContact O-OG1 2.86Å; N522-T525 PolarHBondContact O-N 3.47Å; T525-T527 PolarHBondContact O-N 2.03Å; T525-V528 PolarHBondContact O-N 2.83Å; T525-S529 WeakPolarHBondContact O-CB 3.47Å; T525-S529 PolarHBondContact O-N 2.03Å; T525-S529 PolarHBondContact O-OG 3.21Å
526	M	83.2	Confident	77.6	Confident	36 Å²	36	48.6 Å²	48.6	18%	0.177	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-39.2	176.9	-68.9	-58.2	-73.9	0	0	112.6	W459 F473 N522 N523 S529 M530	W459-M526 HydrophobicContact CD2-CB 4.33Å; W459-M526 HydrophobicContact CE3-CB 4.19Å; W459-M526 HydrophobicContact CH2-CB 3.61Å; W459-M526 HydrophobicContact CH2-CE 4.03Å; W459-M526 HydrophobicContact CH2-CG 3.91Å; W459-M526 HydrophobicContact CZ2-CB 3.75Å; W459-M526 HydrophobicContact CZ2-CG 4.12Å; W459-M526 HydrophobicContact CZ3-CB 3.84Å; W459-M526 HydrophobicContact CZ3-CE 4.27Å; F473-M526 HydrophobicContact CB-CE 4.46Å; F473-M526 HydrophobicContact CD2-CE 4.02Å; N522-M526 WeakPolarHBondContact O-CB 3.27Å; N522-M526 VanDerWaalsContact O-CG 3.29Å; N522-M526 WeakPolarHBondContact O-CG 3.03Å; N522-M526 PolarHBondContact O-N 2.86Å; N523-M526 PolarHBondContact O-N 2.91Å; M526-S529 PolarHBondContact O-N 3.5Å; M526-M530 WeakPolarHBondContact O-CB 3.48Å; M526-M530 PolarHBondContact O-N 2.82Å
527	T	86.3	Confident	79.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-44.1	176.2	-52.1	0	0	0	0	110.7	C451 L454 S455 W459 N523 L524 T525 M530 F531	C451-T527 HydrophobicContact CB-CG2 4.32Å; C451-T527 WeakPolarHBondContact O-CG2 3.22Å; L454-T527 HydrophobicContact CB-CG2 3.94Å; S455-T527 WeakPolarHBondContact CA-OG1 3.37Å; W459-T527 HydrophobicContact CB-CG2 4.02Å; W459-T527 WeakPolarHBondContact CB-OG1 3.41Å; W459-T527 VanDerWaalsContact CG-OG1 3.3Å; N523-T527 WeakPolarHBondContact O-CB 3.41Å; N523-T527 PolarHBondContact O-N 3.49Å; N523-T527 PolarHBondContact O-OG1 3.48Å; L524-T527 PolarHBondContact O-N 3.03Å; T525-T527 PolarHBondContact O-N 2.03Å; T527-M530 HydrophobicContact CG2-CE 4.45Å; T527-M530 PolarHBondContact O-N 3.17Å; T527-F531 HydrophobicContact CG2-CD2 4.08Å; T527-F531 HydrophobicContact CG2-CE2 4.25Å; T527-F531 WeakPolarHBondContact O-CD2 3.34Å; T527-F531 PolarHBondContact O-N 3.31Å
528	V	87.1	Confident	79.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-46.3	175.2	167.8	0	0	0	0	110.9	C451 L484 L485 T488 L524 T525 M530 F531 Q532	C451-V528 HydrophobicContact CB-CG2 4.4Å; L484-V528 HydrophobicContact CB-CG1 4.01Å; L484-V528 HydrophobicContact CD2-CG1 4.17Å; L484-V528 HydrophobicContact CG-CG1 3.99Å; L484-V528 HydrophobicContact CG-CG2 4.48Å; L485-V528 HydrophobicContact CB-CG1 4.21Å; L485-V528 HydrophobicContact CD1-CG2 4.17Å; T488-V528 HydrophobicContact CG2-CG2 4.18Å; L524-V528 WeakPolarHBondContact O-CB 3.37Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 3.25Å; T525-V528 PolarHBondContact O-N 2.83Å; V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.24Å; V528-F531 PolarHBondContact O-N 2.8Å; V528-Q532 VanDerWaalsContact O-CB 3.26Å; V528-Q532 WeakPolarHBondContact O-CB 3.02Å; V528-Q532 PolarHBondContact O-N 3.31Å
529	S	85	Confident	80.6	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-37.2	176.8	-64.5	0	0	0	0	112.7	T525 M526 Q532 Y533	T525-S529 WeakPolarHBondContact O-CB 3.47Å; T525-S529 PolarHBondContact O-N 2.03Å; T525-S529 PolarHBondContact O-OG 3.21Å; M526-S529 PolarHBondContact O-N 3.5Å; S529-Q532 PolarHBondContact O-N 3.4Å; S529-Y533 VanDerWaalsContact O-CB 3.31Å; S529-Y533 WeakPolarHBondContact O-CB 3.34Å; S529-Y533 PolarHBondContact O-N 2.71Å
530	M	86.3	Confident	81.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-50	173.5	179	-173	75	0	0	111.5	W459 L462 A463 L468 F473 M526 T527 V528 Q532 Y533 M534	W459-M530 HydrophobicContact CB-CE 4.44Å; L462-M530 HydrophobicContact CB-CE 4.48Å; L462-M530 HydrophobicContact CD2-CE 3.8Å; L462-M530 HydrophobicContact CG-CE 4.19Å; A463-M530 HydrophobicContact CB-SD 3.79Å; L468-M530 HydrophobicContact CD1-CG 3.88Å; L468-M530 HydrophobicContact CD1-SD 4.36Å; F473-M530 HydrophobicContact CD2-CB 4.13Å; F473-M530 HydrophobicContact CE1-CB 4.28Å; F473-M530 HydrophobicContact CE1-CG 4.23Å; F473-M530 HydrophobicContact CE2-CB 3.72Å; F473-M530 HydrophobicContact CE2-CG 3.92Å; F473-M530 HydrophobicContact CZ-CB 3.81Å; F473-M530 HydrophobicContact CZ-CG 3.61Å; M526-M530 WeakPolarHBondContact O-CB 3.48Å; M526-M530 PolarHBondContact O-N 2.82Å; T527-M530 HydrophobicContact CG2-CE 4.45Å; T527-M530 PolarHBondContact O-N 3.17Å; V528-M530 VanDerWaalsContact C-N 3.34Å; V528-M530 PolarHBondContact O-N 3.24Å; M530-Q532 VanDerWaalsContact C-N 3.33Å; M530-Q532 PolarHBondContact O-N 2.83Å; M530-Y533 WeakPolarHBondContact O-CB 3.02Å; M530-Y533 PolarHBondContact O-N 2.81Å; M530-M534 WeakPolarHBondContact O-CG 2.94Å; M530-M534 PolarHBondContact O-N 3.19Å
531	F	86.2	Confident	82.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-38.3	176.7	-90.4	-88.7	0	0	0	112.2	L447 I450 C451 L454 L462 L484 T527 V528 Y533 M534 C535 L545	L447-F531 HydrophobicContact CD1-CD1 3.69Å; L447-F531 HydrophobicContact CD1-CE1 3.98Å; L447-F531 HydrophobicContact CG-CD1 4.45Å; I450-F531 HydrophobicContact CG2-CE1 4.08Å; I450-F531 HydrophobicContact CG2-CE2 4.4Å; I450-F531 HydrophobicContact CG2-CZ 3.67Å; C451-F531 VanDerWaalsContact SG-CD2 3.57Å; C451-F531 VanDerWaalsContact SG-CG 3.55Å; L454-F531 HydrophobicContact CD1-CE2 3.46Å; L454-F531 VanDerWaalsContact CD1-CE2 3.46Å; L454-F531 HydrophobicContact CD1-CZ 3.53Å; L462-F531 HydrophobicContact CD2-CE2 4.26Å; L462-F531 HydrophobicContact CD2-CZ 4.24Å; L484-F531 HydrophobicContact CD2-CB 3.84Å; T527-F531 HydrophobicContact CG2-CD2 4.08Å; T527-F531 HydrophobicContact CG2-CE2 4.25Å; T527-F531 WeakPolarHBondContact O-CD2 3.34Å; T527-F531 PolarHBondContact O-N 3.31Å; V528-F531 PolarHBondContact O-N 2.8Å; F531-Y533 VanDerWaalsContact C-N 3.34Å; F531-Y533 PolarHBondContact O-N 3.22Å; F531-M534 HydrophobicContact CB-CE 4.3Å; F531-M534 HydrophobicContact CD1-CE 3.33Å; F531-M534 HydrophobicContact CD2-CE 3.97Å; F531-M534 HydrophobicContact CE1-CE 3.44Å; F531-M534 VanDerWaalsContact CE1-CE 3.44Å; F531-M534 HydrophobicContact CE2-CE 4.05Å; F531-M534 HydrophobicContact CG-CE 3.62Å; F531-M534 HydrophobicContact CZ-CE 3.8Å; F531-M534 PolarHBondContact O-N 2.78Å; F531-C535 WeakPolarHBondContact O-CB 3.5Å; F531-C535 PolarHBondContact O-N 2.04Å; F531-C535 PolarHBondContact O-SG 2.82Å; F531-C535 VanDerWaalsContact O-SG 3.36Å; F531-L545 HydrophobicContact CE1-CD1 4.26Å; F531-L545 HydrophobicContact CE1-CD2 4.08Å; F531-L545 HydrophobicContact CZ-CD1 4.2Å
532	Q	84.3	Confident	82.6	Confident	17 Å²	17	35.2 Å²	35.2	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-64.4	-39.3	175.5	-163.8	61.6	49.3	0	0	111.6	L476 I480 T481 V528 S529 M530 C535 L536	L476-Q532 HydrophobicContact CD2-CB 3.79Å; L476-Q532 HydrophobicContact CD2-CG 3.69Å; I480-Q532 HydrophobicContact CG2-CG 4.24Å; I480-Q532 VanDerWaalsContact CG2-NE2 3.34Å; T481-Q532 HydrophobicContact CG2-CB 4.21Å; T481-Q532 HydrophobicContact CG2-CG 4.08Å; V528-Q532 VanDerWaalsContact O-CB 3.26Å; V528-Q532 WeakPolarHBondContact O-CB 3.02Å; V528-Q532 PolarHBondContact O-N 3.31Å; S529-Q532 PolarHBondContact O-N 3.4Å; M530-Q532 VanDerWaalsContact C-N 3.33Å; M530-Q532 PolarHBondContact O-N 2.83Å; Q532-C535 PolarHBondContact O-N 2.87Å; Q532-L536 HydrophobicContact CG-CD1 3.95Å; Q532-L536 HydrophobicContact CG-CG 4.38Å; Q532-L536 WeakPolarHBondContact O-CB 3.45Å; Q532-L536 VanDerWaalsContact O-CG 3.26Å; Q532-L536 WeakPolarHBondContact O-CG 3.29Å; Q532-L536 PolarHBondContact O-N 3.21Å
533	Y	83.9	Confident	82.7	Confident	35 Å²	35	30.9 Å²	30.9	14%	0.137	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-47.4	172.6	-179.5	-96.5	0	0	0	111.4	L468 K472 F473 L476 S529 M530 F531 C535 L536 Q537 T539	L468-Y533 HydrophobicContact CD2-CD1 4.13Å; L468-Y533 HydrophobicContact CD2-CE1 3.9Å; K472-Y533 HydrophobicContact CB-CD2 4.39Å; K472-Y533 HydrophobicContact CB-CE2 3.85Å; K472-Y533 HydrophobicContact CD-CE2 4.42Å; K472-Y533 WeakPolarHBondContact CD-OH 3.08Å; F473-Y533 HydrophobicContact CD1-CD1 4.36Å; F473-Y533 HydrophobicContact CD1-CG 4.08Å; F473-Y533 AromaticContact CE1-CD1 3.97Å; F473-Y533 HydrophobicContact CE1-CD1 3.97Å; F473-Y533 HydrophobicContact CE1-CG 4.15Å; L476-Y533 HydrophobicContact CD1-CD2 4.1Å; S529-Y533 VanDerWaalsContact O-CB 3.31Å; S529-Y533 WeakPolarHBondContact O-CB 3.34Å; S529-Y533 PolarHBondContact O-N 2.71Å; M530-Y533 WeakPolarHBondContact O-CB 3.02Å; M530-Y533 PolarHBondContact O-N 2.81Å; F531-Y533 VanDerWaalsContact C-N 3.34Å; F531-Y533 PolarHBondContact O-N 3.22Å; Y533-C535 PolarHBondContact O-N 3.12Å; Y533-L536 PolarHBondContact O-N 2.77Å; Y533-Q537 HydrophobicContact CD2-CG 3.8Å; Y533-Q537 HydrophobicContact CE1-CG 4.45Å; Y533-Q537 HydrophobicContact CE2-CG 3.62Å; Y533-Q537 HydrophobicContact CG-CG 4.29Å; Y533-Q537 VanDerWaalsContact O-CB 3.31Å; Y533-Q537 WeakPolarHBondContact O-CB 3.38Å; Y533-Q537 WeakPolarHBondContact O-CG 3.17Å; Y533-Q537 PolarHBondContact O-N 2.7Å; Y533-T539 HydrophobicContact CE1-CG2 4.06Å
534	M	83.7	Confident	82.7	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-43.4	175.6	-68.4	-168	-62.3	0	0	112.5	I439 L466 L468 M530 F531 N538 V540 L545	I439-M534 HydrophobicContact CD1-CB 3.94Å; I439-M534 HydrophobicContact CD1-CE 4.24Å; I439-M534 HydrophobicContact CD1-SD 4Å; L466-M534 HydrophobicContact CD1-SD 3.68Å; L468-M534 HydrophobicContact CD1-CG 3.79Å; L468-M534 HydrophobicContact CD1-SD 3.92Å; M530-M534 WeakPolarHBondContact O-CG 2.94Å; M530-M534 PolarHBondContact O-N 3.19Å; F531-M534 HydrophobicContact CB-CE 4.3Å; F531-M534 HydrophobicContact CD1-CE 3.33Å; F531-M534 HydrophobicContact CD2-CE 3.97Å; F531-M534 HydrophobicContact CE1-CE 3.44Å; F531-M534 VanDerWaalsContact CE1-CE 3.44Å; F531-M534 HydrophobicContact CE2-CE 4.05Å; F531-M534 HydrophobicContact CG-CE 3.62Å; F531-M534 HydrophobicContact CZ-CE 3.8Å; F531-M534 PolarHBondContact O-N 2.78Å; M534-N538 VanDerWaalsContact O-CA 3.3Å; M534-N538 WeakPolarHBondContact O-CA 3.24Å; M534-N538 PolarHBondContact O-N 2.73Å; M534-V540 HydrophobicContact CG-CB 4.29Å; M534-V540 HydrophobicContact CG-CG2 4.1Å; M534-V540 HydrophobicContact SD-CB 3.93Å; M534-V540 HydrophobicContact SD-CG1 4.22Å; M534-V540 HydrophobicContact SD-CG2 3.91Å; M534-L545 HydrophobicContact CE-CD1 4.33Å
535	C	82.6	Confident	82.8	Confident	20 Å²	20	32.8 Å²	32.8	14%	0.135	17%	0.173	C	C	.	.	H	α-helix	trans	-69.3	-36.8	179.6	-74.3	0	0	0	0	113.5	T440 F531 Q532 Y533	T440-C535 HydrophobicContact CG2-CB 4.03Å; F531-C535 WeakPolarHBondContact O-CB 3.5Å; F531-C535 PolarHBondContact O-N 2.04Å; F531-C535 PolarHBondContact O-SG 2.82Å; F531-C535 VanDerWaalsContact O-SG 3.36Å; Q532-C535 PolarHBondContact O-N 2.87Å; Y533-C535 PolarHBondContact O-N 3.12Å
536	L	81.8	Confident	82.7	Confident	83 Å²	83	31 Å²	31	44%	0.435	16%	0.161	S	C	.	.	H	α-helix	trans	-81	-42.4	-179.1	-71.9	174.5	0	0	0	113	L476 I480 Q532 Y533	L476-L536 HydrophobicContact CD2-CD1 3.87Å; I480-L536 HydrophobicContact CD1-CD1 3.99Å; I480-L536 HydrophobicContact CG2-CD1 4.22Å; I480-L536 HydrophobicContact CG2-CD2 4.32Å; Q532-L536 HydrophobicContact CG-CD1 3.95Å; Q532-L536 HydrophobicContact CG-CG 4.38Å; Q532-L536 WeakPolarHBondContact O-CB 3.45Å; Q532-L536 VanDerWaalsContact O-CG 3.26Å; Q532-L536 WeakPolarHBondContact O-CG 3.29Å; Q532-L536 PolarHBondContact O-N 3.21Å; Y533-L536 PolarHBondContact O-N 2.77Å
537	Q	77.8	Confident	82.7	Confident	119 Å²	119	33 Å²	33	56%	0.556	17%	0.173	S	C	*	.	H	α-helix	trans	-87.5	-11.1	-176.6	-58.1	-66.3	-22.4	0	0	112.6	Y533 T539	Y533-Q537 HydrophobicContact CD2-CG 3.8Å; Y533-Q537 HydrophobicContact CE1-CG 4.45Å; Y533-Q537 HydrophobicContact CE2-CG 3.62Å; Y533-Q537 HydrophobicContact CG-CG 4.29Å; Y533-Q537 VanDerWaalsContact O-CB 3.31Å; Y533-Q537 WeakPolarHBondContact O-CB 3.38Å; Y533-Q537 WeakPolarHBondContact O-CG 3.17Å; Y533-Q537 PolarHBondContact O-N 2.7Å; Q537-T539 HydrophobicContact CB-CG2 3.63Å; Q537-T539 PolarHBondContact O-N 3.07Å; Q537-T539 VanDerWaalsContact O-N 3.12Å
538	N	74.4	Confident	82.6	Confident	95 Å²	95	33.3 Å²	33.3	51%	0.508	18%	0.175	S	C	.	.			trans	51	32.2	-174.3	-162.6	45.3	0	0	0	112.9	P438 M534 V540	P438-N538 VanDerWaalsContact CB-OD1 3.24Å; P438-N538 WeakPolarHBondContact CB-OD1 3.32Å; M534-N538 VanDerWaalsContact O-CA 3.3Å; M534-N538 WeakPolarHBondContact O-CA 3.24Å; M534-N538 PolarHBondContact O-N 2.73Å; N538-V540 VanDerWaalsContact C-N 3.26Å; N538-V540 PolarHBondContact O-N 2.79Å
539	T	74.6	Confident	82.5	Confident	61 Å²	61	33.2 Å²	33.2	37%	0.374	17%	0.174	S	C	.	.			trans	-69.1	-25.1	-175.2	41.1	0	0	0	0	113.3	Y533 Q537	Y533-T539 HydrophobicContact CE1-CG2 4.06Å; Q537-T539 HydrophobicContact CB-CG2 3.63Å; Q537-T539 PolarHBondContact O-N 3.07Å; Q537-T539 VanDerWaalsContact O-N 3.12Å
540	V	80	Confident	82.4	Confident	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.186	C	C	.	.	S	Bend	trans	-129.4	120.5	-176.3	-178.8	0	0	0	0	107.3	I439 L466 L468 M534 N538 Q544 L545	I439-V540 HydrophobicContact CD1-CB 3.96Å; I439-V540 HydrophobicContact CD1-CG1 4.04Å; I439-V540 WeakPolarHBondContact CD1-O 3.33Å; I439-V540 WeakPolarHBondContact CG1-O 3.49Å; L466-V540 HydrophobicContact CB-CG2 4.33Å; L466-V540 HydrophobicContact CD1-CG1 4.2Å; L466-V540 HydrophobicContact CD1-CG2 4.23Å; L466-V540 HydrophobicContact CD2-CG1 3.7Å; L466-V540 HydrophobicContact CD2-CG2 4.13Å; L466-V540 HydrophobicContact CG-CG2 4.48Å; L468-V540 HydrophobicContact CD2-CG2 4.36Å; M534-V540 HydrophobicContact CG-CB 4.29Å; M534-V540 HydrophobicContact CG-CG2 4.1Å; M534-V540 HydrophobicContact SD-CB 3.93Å; M534-V540 HydrophobicContact SD-CG1 4.22Å; M534-V540 HydrophobicContact SD-CG2 3.91Å; N538-V540 VanDerWaalsContact C-N 3.26Å; N538-V540 PolarHBondContact O-N 2.79Å; V540-Q544 HydrophobicContact CG1-CB 3.72Å; V540-L545 HydrophobicContact CG1-CB 4.12Å
541	N	83.2	Confident	82.2	Confident	46 Å²	46	40 Å²	40	25%	0.246	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-79.6	163.3	172.4	69.4	33.7	0	0	0	111.1	F435 G543 Q544 L545	F435-N541 PolarHBondContact O-OD1 3.46Å; N541-G543 PolarHBondContact O-N 2.01Å; N541-G543 WeakPolarHBondContact OD1-CA 3.44Å; N541-G543 PolarHBondContact OD1-N 2.98Å; N541-G543 VanDerWaalsContact OD1-N 3.15Å; N541-Q544 PolarHBondContact O-N 2.84Å; N541-Q544 VanDerWaalsContact O-N 3.11Å; N541-Q544 WeakPolarHBondContact OD1-CG 3.44Å; N541-Q544 PolarHBondContact OD1-N 3.29Å; N541-Q544 PolarHBondContact OD1-OE1 3.05Å; N541-L545 PolarHBondContact O-N 3.27Å
542	L	83.2	Confident	82	Confident	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-32.3	-178.9	-172	56	0	0	0	111.8	Q437 I442 L545 M546 I561 I565	Q437-L542 HydrophobicContact CB-CB 4.26Å; Q437-L542 HydrophobicContact CB-CD2 4.06Å; Q437-L542 WeakPolarHBondContact O-CB 2.83Å; Q437-L542 PolarHBondContact O-N 3.4Å; I442-L542 HydrophobicContact CD1-CD1 3.76Å; I442-L542 HydrophobicContact CG1-CD1 4.15Å; L542-L545 HydrophobicContact CD1-CD2 4.5Å; L542-M546 HydrophobicContact CD1-CG 4.47Å; L542-M546 VanDerWaalsContact O-CB 3.27Å; L542-M546 WeakPolarHBondContact O-CB 3.3Å; L542-M546 WeakPolarHBondContact O-CG 3.07Å; L542-M546 PolarHBondContact O-N 3.41Å; L542-I561 HydrophobicContact CD1-CG2 3.85Å; L542-I565 HydrophobicContact CD2-CD1 3.6Å; L542-I565 HydrophobicContact CD2-CG1 3.91Å; L542-I565 HydrophobicContact CG-CD1 4.1Å
543	G	81.3	Confident	81.6	Confident	7 Å²	7	46.9 Å²	46.9	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-44.9	174.3	0	0	0	0	0	114.4	F435 N541 M546 N547	F435-G543 VanDerWaalsContact CD1-CA 3.49Å; F435-G543 WeakPolarHBondContact O-CA 3.4Å; F435-G543 PolarHBondContact O-N 3.25Å; N541-G543 PolarHBondContact O-N 2.01Å; N541-G543 WeakPolarHBondContact OD1-CA 3.44Å; N541-G543 PolarHBondContact OD1-N 2.98Å; N541-G543 VanDerWaalsContact OD1-N 3.15Å; G543-M546 PolarHBondContact O-N 2.72Å; G543-N547 WeakPolarHBondContact O-CB 3.12Å; G543-N547 PolarHBondContact O-N 3.24Å
544	Q	83.7	Confident	81.1	Confident	93 Å²	93	46.6 Å²	46.6	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-46.1	176.1	-73.6	165	-44.3	0	0	110.9	V540 N541 M546 N547 S548	V540-Q544 HydrophobicContact CG1-CB 3.72Å; N541-Q544 PolarHBondContact O-N 2.84Å; N541-Q544 VanDerWaalsContact O-N 3.11Å; N541-Q544 WeakPolarHBondContact OD1-CG 3.44Å; N541-Q544 PolarHBondContact OD1-N 3.29Å; N541-Q544 PolarHBondContact OD1-OE1 3.05Å; Q544-M546 VanDerWaalsContact C-N 3.31Å; Q544-M546 PolarHBondContact O-N 3.44Å; Q544-N547 PolarHBondContact O-N 3.04Å; Q544-S548 PolarHBondContact O-N 2.87Å; Q544-S548 PolarHBondContact O-OG 3Å
545	L	85.5	Confident	80.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-46.8	175	177.2	63.3	0	0	0	111.1	I439 I442 L462 F531 M534 V540 N541 L542 S548 L549 I561	I439-L545 HydrophobicContact CD1-CB 4.17Å; I439-L545 HydrophobicContact CD1-CD2 3.95Å; I439-L545 HydrophobicContact CG1-CB 4.47Å; I439-L545 HydrophobicContact CG1-CD2 3.99Å; I439-L545 HydrophobicContact CG2-CD2 4.22Å; I442-L545 HydrophobicContact CD1-CD2 4.4Å; L462-L545 HydrophobicContact CD1-CD1 4.42Å; L462-L545 HydrophobicContact CD2-CD1 4.27Å; F531-L545 HydrophobicContact CE1-CD1 4.26Å; F531-L545 HydrophobicContact CE1-CD2 4.08Å; F531-L545 HydrophobicContact CZ-CD1 4.2Å; M534-L545 HydrophobicContact CE-CD1 4.33Å; V540-L545 HydrophobicContact CG1-CB 4.12Å; N541-L545 PolarHBondContact O-N 3.27Å; L542-L545 HydrophobicContact CD1-CD2 4.5Å; L545-S548 PolarHBondContact O-N 3.42Å; L545-L549 HydrophobicContact CD1-CD1 4.01Å; L545-L549 HydrophobicContact CD1-CG 4.11Å; L545-L549 HydrophobicContact CG-CD1 3.91Å; L545-L549 HydrophobicContact CG-CG 4.4Å; L545-L549 WeakPolarHBondContact O-CB 3.32Å; L545-L549 VanDerWaalsContact O-CG 3.27Å; L545-L549 WeakPolarHBondContact O-CG 3.22Å; L545-L549 PolarHBondContact O-N 2.71Å; L545-I561 HydrophobicContact CD2-CD1 4.48Å
546	M	83	Confident	80.5	Confident	19 Å²	19	55 Å²	55	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-42.1	179	-74.6	-68.5	-77.9	0	0	113	L542 G543 Q544 Q550 V558 I561 Q562	L542-M546 HydrophobicContact CD1-CG 4.47Å; L542-M546 VanDerWaalsContact O-CB 3.27Å; L542-M546 WeakPolarHBondContact O-CB 3.3Å; L542-M546 WeakPolarHBondContact O-CG 3.07Å; L542-M546 PolarHBondContact O-N 3.41Å; G543-M546 PolarHBondContact O-N 2.72Å; Q544-M546 VanDerWaalsContact C-N 3.31Å; Q544-M546 PolarHBondContact O-N 3.44Å; M546-Q550 WeakPolarHBondContact O-CB 3.46Å; M546-Q550 PolarHBondContact O-N 3.26Å; M546-V558 HydrophobicContact CE-CB 4.22Å; M546-V558 HydrophobicContact CE-CG1 3.51Å; M546-V558 WeakPolarHBondContact CE-O 3.38Å; M546-V558 HydrophobicContact SD-CG1 4.39Å; M546-I561 HydrophobicContact CE-CB 4.31Å; M546-I561 HydrophobicContact CE-CG2 4.18Å; M546-I561 HydrophobicContact CG-CG2 4.18Å; M546-I561 HydrophobicContact SD-CB 3.57Å; M546-I561 VanDerWaalsContact SD-CB 3.57Å; M546-I561 HydrophobicContact SD-CD1 3.77Å; M546-I561 HydrophobicContact SD-CG1 4.28Å; M546-I561 HydrophobicContact SD-CG2 3.39Å; M546-I561 WeakPolarHBondContact SD-CG2 3.31Å; M546-Q562 HydrophobicContact CE-CG 3.56Å
547	N	83.9	Confident	80.4	Confident	78 Å²	78	51.6 Å²	51.6	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.6	-169.9	13.1	0	0	0	111.4	G543 Q544 Q550 K551	G543-N547 WeakPolarHBondContact O-CB 3.12Å; G543-N547 PolarHBondContact O-N 3.24Å; Q544-N547 PolarHBondContact O-N 3.04Å; N547-Q550 PolarHBondContact O-N 2.96Å; N547-K551 WeakPolarHBondContact O-CG 3.21Å; N547-K551 PolarHBondContact O-N 2.77Å; N547-K551 VanDerWaalsContact O-N 3.09Å; N547-K551 WeakPolarHBondContact OD1-CE 3.41Å
548	S	84	Confident	80.6	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-68.6	-40.6	177.9	-64.1	0	0	0	0	112.6	L466 Q544 L545 Q550 K551 L552	L466-S548 WeakPolarHBondContact CD2-OG 3.18Å; Q544-S548 PolarHBondContact O-N 2.87Å; Q544-S548 PolarHBondContact O-OG 3Å; L545-S548 PolarHBondContact O-N 3.42Å; S548-Q550 VanDerWaalsContact C-N 3.27Å; S548-Q550 PolarHBondContact O-N 2.88Å; S548-K551 WeakPolarHBondContact O-CB 3.36Å; S548-K551 PolarHBondContact O-N 2.83Å; S548-K551 VanDerWaalsContact O-N 3.12Å; S548-L552 WeakPolarHBondContact O-CD1 3.28Å; S548-L552 PolarHBondContact O-N 2.9Å
549	L	83.8	Confident	80.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-33.4	173.5	-71.9	173.6	0	0	0	112.9	L454 L462 L545 L552 S554 L557 V558 I561	L454-L549 HydrophobicContact CD1-CD2 4.07Å; L454-L549 HydrophobicContact CD2-CD2 3.95Å; L462-L549 HydrophobicContact CD2-CD2 4.13Å; L545-L549 HydrophobicContact CD1-CD1 4.01Å; L545-L549 HydrophobicContact CD1-CG 4.11Å; L545-L549 HydrophobicContact CG-CD1 3.91Å; L545-L549 HydrophobicContact CG-CG 4.4Å; L545-L549 WeakPolarHBondContact O-CB 3.32Å; L545-L549 VanDerWaalsContact O-CG 3.27Å; L545-L549 WeakPolarHBondContact O-CG 3.22Å; L545-L549 PolarHBondContact O-N 2.71Å; L549-L552 HydrophobicContact CD2-CD1 4.4Å; L549-L552 PolarHBondContact O-N 3Å; L549-S554 PolarHBondContact O-N 3.21Å; L549-L557 HydrophobicContact CD1-CB 4.26Å; L549-L557 HydrophobicContact CD2-CB 4.44Å; L549-L557 HydrophobicContact CD2-CD1 3.91Å; L549-V558 HydrophobicContact CB-CG2 3.86Å; L549-I561 HydrophobicContact CD1-CD1 3.42Å; L549-I561 VanDerWaalsContact CD1-CD1 3.42Å
550	Q	83	Confident	81.1	Confident	72 Å²	72	44 Å²	44	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-69.4	-37.8	173.5	-169.7	167.8	3.4	0	0	112	P193 M546 N547 S548 N553 V558	P193-Q550 VanDerWaalsContact CD-NE2 3.26Å; M546-Q550 WeakPolarHBondContact O-CB 3.46Å; M546-Q550 PolarHBondContact O-N 3.26Å; N547-Q550 PolarHBondContact O-N 2.96Å; S548-Q550 VanDerWaalsContact C-N 3.27Å; S548-Q550 PolarHBondContact O-N 2.88Å; Q550-N553 PolarHBondContact O-N 3.48Å; Q550-V558 HydrophobicContact CB-CG2 4.19Å
551	K	83.4	Confident	81.1	Confident	83 Å²	83	43.9 Å²	43.9	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-67	-32.5	173.7	-68.9	170	-172.6	172.4	0	113.2	I240 M465 N547 S548 N553	I240-K551 VanDerWaalsContact CD1-NZ 3.32Å; M465-K551 HydrophobicContact CE-CB 4.2Å; M465-K551 HydrophobicContact SD-CB 3.64Å; M465-K551 HydrophobicContact SD-CD 4.37Å; N547-K551 WeakPolarHBondContact O-CG 3.21Å; N547-K551 PolarHBondContact O-N 2.77Å; N547-K551 VanDerWaalsContact O-N 3.09Å; N547-K551 WeakPolarHBondContact OD1-CE 3.41Å; S548-K551 WeakPolarHBondContact O-CB 3.36Å; S548-K551 PolarHBondContact O-N 2.83Å; S548-K551 VanDerWaalsContact O-N 3.12Å; K551-N553 PolarHBondContact O-N 2.04Å; K551-N553 VanDerWaalsContact O-N 3.11Å
552	L	80.3	Confident	80.9	Confident	20 Å²	20	47.2 Å²	47.2	11%	0.105	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	9.7	172.9	-80.8	151.2	0	0	0	114.5	E461 L462 M465 S548 L549 S554	E461-L552 HydrophobicContact CB-CD2 3.5Å; L462-L552 HydrophobicContact CB-CD1 3.59Å; L462-L552 HydrophobicContact CD1-CD1 3.52Å; L462-L552 HydrophobicContact CG-CD1 4.03Å; M465-L552 HydrophobicContact CE-CD2 4.26Å; M465-L552 HydrophobicContact CE-CG 4.02Å; M465-L552 HydrophobicContact SD-CD1 4.46Å; M465-L552 HydrophobicContact SD-CG 4.01Å; S548-L552 WeakPolarHBondContact O-CD1 3.28Å; S548-L552 PolarHBondContact O-N 2.9Å; L549-L552 HydrophobicContact CD2-CD1 4.4Å; L549-L552 PolarHBondContact O-N 3Å; L552-S554 PolarHBondContact O-N 3.41Å; L552-S554 VanDerWaalsContact O-N 3.1Å; L552-S554 PolarHBondContact O-OG 3.34Å
553	N	76.5	Confident	80.7	Confident	140 Å²	140	52.7 Å²	52.7	75%	0.749	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.8	-175.9	-166.8	41.7	0	0	0	112.7	Q550 K551 P555	Q550-N553 PolarHBondContact O-N 3.48Å; K551-N553 PolarHBondContact O-N 2.04Å; K551-N553 VanDerWaalsContact O-N 3.11Å; N553-P555 WeakPolarHBondContact O-CD 3.45Å
554	S	72.7	Confident	80.3	Confident	30 Å²	30	54 Å²	54	21%	0.21	28%	0.284	C	S	.	.			trans	-112.2	59.7	-179	-66.8	0	0	0	0	111.6	L549 L552 D556 L557 V558	L549-S554 PolarHBondContact O-N 3.21Å; L552-S554 PolarHBondContact O-N 3.41Å; L552-S554 VanDerWaalsContact O-N 3.1Å; L552-S554 PolarHBondContact O-OG 3.34Å; S554-D556 PolarHBondContact O-N 2.8Å; S554-L557 PolarHBondContact O-N 2.87Å; S554-L557 VanDerWaalsContact O-N 3.09Å; S554-V558 PolarHBondContact O-N 2.75Å
555	P	75.6	Confident	79.7	Confident	76 Å²	76	50.5 Å²	50.5	49%	0.494	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-27.6	-176.2	29	-36.3	0	0	0	112.4	N553 L557 V558 A559	N553-P555 WeakPolarHBondContact O-CD 3.45Å; P555-L557 VanDerWaalsContact C-N 3.29Å; P555-L557 PolarHBondContact O-N 2.89Å; P555-V558 WeakPolarHBondContact O-CB 3.47Å; P555-V558 PolarHBondContact O-N 3.45Å; P555-A559 WeakPolarHBondContact O-CB 3.42Å; P555-A559 PolarHBondContact O-N 2.91Å
556	D	78.5	Confident	78.7	Confident	120 Å²	120	52.2 Å²	52.2	64%	0.642	29%	0.286	S	S	*	.	H	α-helix	trans	-59.3	-39.4	175.5	-60.7	-8.8	0	0	0	112.1	S554 L560	S554-D556 PolarHBondContact O-N 2.8Å; D556-L560 WeakPolarHBondContact O-CB 3.49Å; D556-L560 VanDerWaalsContact O-CG 3.27Å; D556-L560 WeakPolarHBondContact O-CG 3.21Å; D556-L560 PolarHBondContact O-N 3.4Å
557	L	80.7	Confident	77.7	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	30%	0.298	C	S	.	.	H	α-helix	trans	-72.7	-39.7	177	-65.4	178.2	0	0	0	111.3	I450 R453 L454 L549 S554 P555 A559 L560 I561	I450-L557 HydrophobicContact CG1-CD2 4.22Å; R453-L557 HydrophobicContact CB-CD1 4.46Å; R453-L557 HydrophobicContact CB-CD2 3.87Å; R453-L557 HydrophobicContact CG-CD2 4.07Å; L454-L557 HydrophobicContact CD1-CD1 4.23Å; L454-L557 HydrophobicContact CD2-CD1 3.76Å; L454-L557 HydrophobicContact CG-CD1 3.76Å; L549-L557 HydrophobicContact CD1-CB 4.26Å; L549-L557 HydrophobicContact CD2-CB 4.44Å; L549-L557 HydrophobicContact CD2-CD1 3.91Å; S554-L557 PolarHBondContact O-N 2.87Å; S554-L557 VanDerWaalsContact O-N 3.09Å; P555-L557 VanDerWaalsContact C-N 3.29Å; P555-L557 PolarHBondContact O-N 2.89Å; L557-A559 VanDerWaalsContact C-N 3.34Å; L557-L560 HydrophobicContact CD2-CD1 4.37Å; L557-L560 PolarHBondContact O-N 2.94Å; L557-I561 WeakPolarHBondContact O-CB 3.48Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.28Å; L557-I561 PolarHBondContact O-N 2.99Å
558	V	81.2	Confident	76.5	Confident	13 Å²	13	53.2 Å²	53.2	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-45.5	173.6	177.1	0	0	0	0	110.2	M546 L549 Q550 S554 P555 I561 Q562	M546-V558 HydrophobicContact CE-CB 4.22Å; M546-V558 HydrophobicContact CE-CG1 3.51Å; M546-V558 WeakPolarHBondContact CE-O 3.38Å; M546-V558 HydrophobicContact SD-CG1 4.39Å; L549-V558 HydrophobicContact CB-CG2 3.86Å; Q550-V558 HydrophobicContact CB-CG2 4.19Å; S554-V558 PolarHBondContact O-N 2.75Å; P555-V558 WeakPolarHBondContact O-CB 3.47Å; P555-V558 PolarHBondContact O-N 3.45Å; V558-I561 PolarHBondContact O-N 3.3Å; V558-Q562 WeakPolarHBondContact O-CB 3.45Å; V558-Q562 WeakPolarHBondContact O-CG 3.02Å; V558-Q562 PolarHBondContact O-N 3.17Å
559	A	79.9	Confident	75.1	Confident	51 Å²	51	57.3 Å²	57.3	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-44.2	177.5	0	0	0	0	0	112.3	P555 L557 I561 Q562 Q563	P555-A559 WeakPolarHBondContact O-CB 3.42Å; P555-A559 PolarHBondContact O-N 2.91Å; L557-A559 VanDerWaalsContact C-N 3.34Å; A559-I561 PolarHBondContact O-N 3.49Å; A559-Q562 PolarHBondContact O-N 2.8Å; A559-Q563 WeakPolarHBondContact O-CB 3.37Å; A559-Q563 PolarHBondContact O-N 2.93Å
560	L	80.5	Confident	73.4	Confident	52 Å²	52	60.1 Å²	60.1	27%	0.272	33%	0.328	S	S	.	.	H	α-helix	trans	-58.9	-44.9	175	-79.1	168.3	0	0	0	112	V449 D556 L557 Q563 Q564	V449-L560 HydrophobicContact CG1-CD1 4.45Å; D556-L560 WeakPolarHBondContact O-CB 3.49Å; D556-L560 VanDerWaalsContact O-CG 3.27Å; D556-L560 WeakPolarHBondContact O-CG 3.21Å; D556-L560 PolarHBondContact O-N 3.4Å; L557-L560 HydrophobicContact CD2-CD1 4.37Å; L557-L560 PolarHBondContact O-N 2.94Å; L560-Q563 PolarHBondContact O-N 3.25Å; L560-Q564 WeakPolarHBondContact O-CG 3.07Å; L560-Q564 PolarHBondContact O-N 3.08Å
561	I	80	Confident	72.1	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-67.3	-44.3	177.6	-66.5	165.3	0	0	0	110.6	I442 I450 L542 L545 M546 L549 L557 V558 A559 Q563 Q564 I565	I442-I561 HydrophobicContact CD1-CD1 4.41Å; I442-I561 HydrophobicContact CD1-CG1 4.22Å; I442-I561 HydrophobicContact CD1-CG2 4.32Å; I450-I561 HydrophobicContact CD1-CD1 3.87Å; I450-I561 HydrophobicContact CD1-CG1 3.53Å; I450-I561 HydrophobicContact CG1-CG1 4.42Å; L542-I561 HydrophobicContact CD1-CG2 3.85Å; L545-I561 HydrophobicContact CD2-CD1 4.48Å; M546-I561 HydrophobicContact CE-CB 4.31Å; M546-I561 HydrophobicContact CE-CG2 4.18Å; M546-I561 HydrophobicContact CG-CG2 4.18Å; M546-I561 HydrophobicContact SD-CB 3.57Å; M546-I561 VanDerWaalsContact SD-CB 3.57Å; M546-I561 HydrophobicContact SD-CD1 3.77Å; M546-I561 HydrophobicContact SD-CG1 4.28Å; M546-I561 HydrophobicContact SD-CG2 3.39Å; M546-I561 WeakPolarHBondContact SD-CG2 3.31Å; L549-I561 HydrophobicContact CD1-CD1 3.42Å; L549-I561 VanDerWaalsContact CD1-CD1 3.42Å; L557-I561 WeakPolarHBondContact O-CB 3.48Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.28Å; L557-I561 PolarHBondContact O-N 2.99Å; V558-I561 PolarHBondContact O-N 3.3Å; A559-I561 PolarHBondContact O-N 3.49Å; I561-Q563 VanDerWaalsContact C-N 3.32Å; I561-Q563 PolarHBondContact O-N 2.9Å; I561-Q564 PolarHBondContact O-N 3.02Å; I561-I565 HydrophobicContact CG2-CD1 3.68Å; I561-I565 HydrophobicContact CG2-CG1 4.27Å; I561-I565 VanDerWaalsContact O-CG1 3.31Å; I561-I565 WeakPolarHBondContact O-CG1 3Å; I561-I565 PolarHBondContact O-N 3.31Å
562	Q	78.7	Confident	70.6	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-40.8	175.4	-79.6	176.2	-3	0	0	112.6	M546 V558 A559 Q564 I565 G566	M546-Q562 HydrophobicContact CE-CG 3.56Å; V558-Q562 WeakPolarHBondContact O-CB 3.45Å; V558-Q562 WeakPolarHBondContact O-CG 3.02Å; V558-Q562 PolarHBondContact O-N 3.17Å; A559-Q562 PolarHBondContact O-N 2.8Å; Q562-Q564 VanDerWaalsContact C-N 3.33Å; Q562-Q564 PolarHBondContact O-N 2.03Å; Q562-I565 PolarHBondContact O-N 2.78Å; Q562-G566 PolarHBondContact O-N 3.09Å
563	Q	78	Confident	68.9	Low	117 Å²	117	68.7 Å²	68.7	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-43.8	176.9	-171.6	-179.5	9.4	0	0	110.9	A559 L560 I561 G566 I567	A559-Q563 WeakPolarHBondContact O-CB 3.37Å; A559-Q563 PolarHBondContact O-N 2.93Å; L560-Q563 PolarHBondContact O-N 3.25Å; I561-Q563 VanDerWaalsContact C-N 3.32Å; I561-Q563 PolarHBondContact O-N 2.9Å; Q563-G566 PolarHBondContact O-N 2.98Å; Q563-I567 HydrophobicContact CG-CD1 4.39Å; Q563-I567 WeakPolarHBondContact O-CG1 3.38Å; Q563-I567 PolarHBondContact O-N 2.97Å
564	Q	72.9	Confident	67.6	Low	33 Å²	33	66.4 Å²	66.4	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-68	-43.9	175.6	-62.9	-52.3	-37.8	0	0	112.9	I446 L560 I561 Q562 G566 I567 I568	I446-Q564 HydrophobicContact CB-CG 4.29Å; I446-Q564 HydrophobicContact CD1-CG 4.35Å; I446-Q564 HydrophobicContact CG1-CG 3.83Å; I446-Q564 HydrophobicContact CG2-CG 3.91Å; L560-Q564 WeakPolarHBondContact O-CG 3.07Å; L560-Q564 PolarHBondContact O-N 3.08Å; I561-Q564 PolarHBondContact O-N 3.02Å; Q562-Q564 VanDerWaalsContact C-N 3.33Å; Q562-Q564 PolarHBondContact O-N 2.03Å; Q564-G566 PolarHBondContact O-N 2.84Å; Q564-I567 PolarHBondContact O-N 3.42Å; Q564-I567 VanDerWaalsContact O-N 3.1Å; Q564-I568 VanDerWaalsContact O-CG1 3.28Å; Q564-I568 WeakPolarHBondContact O-CG1 3.36Å; Q564-I568 PolarHBondContact O-N 3.34Å
565	I	71.9	Confident	66.4	Low	21 Å²	21	69.8 Å²	69.8	11%	0.108	37%	0.373	C	S	.	.	H	α-helix	trans	-58.9	-37.2	174.3	-63.5	164.8	0	0	0	110.3	L542 I561 Q562 I568 K569	L542-I565 HydrophobicContact CD2-CD1 3.6Å; L542-I565 HydrophobicContact CD2-CG1 3.91Å; L542-I565 HydrophobicContact CG-CD1 4.1Å; I561-I565 HydrophobicContact CG2-CD1 3.68Å; I561-I565 HydrophobicContact CG2-CG1 4.27Å; I561-I565 VanDerWaalsContact O-CG1 3.31Å; I561-I565 WeakPolarHBondContact O-CG1 3Å; I561-I565 PolarHBondContact O-N 3.31Å; Q562-I565 PolarHBondContact O-N 2.78Å; I565-I568 PolarHBondContact O-N 2.75Å; I565-K569 HydrophobicContact CG2-CD 4.26Å; I565-K569 HydrophobicContact CG2-CG 4.49Å; I565-K569 WeakPolarHBondContact O-CB 3.25Å; I565-K569 VanDerWaalsContact O-CG 3.3Å; I565-K569 WeakPolarHBondContact O-CG 3.32Å; I565-K569 PolarHBondContact O-N 2.72Å
566	G	63.2	Low	65.2	Low	36 Å²	36	71.3 Å²	71.3	37%	0.371	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-42.9	173.9	0	0	0	0	0	113.3	Q562 Q563 Q564 K569 S570	Q562-G566 PolarHBondContact O-N 3.09Å; Q563-G566 PolarHBondContact O-N 2.98Å; Q564-G566 PolarHBondContact O-N 2.84Å; G566-K569 WeakPolarHBondContact O-CB 3.29Å; G566-K569 PolarHBondContact O-N 3.41Å; G566-S570 PolarHBondContact O-N 2.98Å
567	I	62.1	Low	63.7	Low	66 Å²	66	68.4 Å²	68.4	34%	0.338	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-37.3	175	-65.9	161.4	0	0	0	111.3	Q563 Q564 S570 K571	Q563-I567 HydrophobicContact CG-CD1 4.39Å; Q563-I567 WeakPolarHBondContact O-CG1 3.38Å; Q563-I567 PolarHBondContact O-N 2.97Å; Q564-I567 PolarHBondContact O-N 3.42Å; Q564-I567 VanDerWaalsContact O-N 3.1Å; I567-S570 PolarHBondContact O-N 2.81Å; I567-S570 PolarHBondContact O-OG 2.66Å; I567-S570 VanDerWaalsContact O-OG 3.06Å; I567-K571 WeakPolarHBondContact O-CG 3.42Å; I567-K571 PolarHBondContact O-N 2.73Å
568	I	59.7	Low	62.2	Low	51 Å²	51	72.5 Å²	72.5	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-68.4	-40.4	175.8	-66.7	163.5	0	0	0	110.4	V441 Q564 I565 K571 K572	V441-I568 HydrophobicContact CG1-CD1 3.67Å; V441-I568 HydrophobicContact CG1-CG2 4.45Å; V441-I568 WeakPolarHBondContact O-CD1 3.34Å; Q564-I568 VanDerWaalsContact O-CG1 3.28Å; Q564-I568 WeakPolarHBondContact O-CG1 3.36Å; Q564-I568 PolarHBondContact O-N 3.34Å; I565-I568 PolarHBondContact O-N 2.75Å; I568-K571 PolarHBondContact O-N 3.16Å; I568-K572 WeakPolarHBondContact O-CB 3.07Å; I568-K572 PolarHBondContact O-N 3.4Å
569	K	53.7	Low	60.7	Low	93 Å²	93	78.2 Å²	78.2	40%	0.404	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-49.9	171.5	-78.4	173.2	176	-177.7	0	111.3	N434 I565 G566 K571 K572 T573	N434-K569 VanDerWaalsContact CG-CE 3.45Å; N434-K569 PolarHBondContact ND2-NZ 2.8Å; N434-K569 WeakPolarHBondContact OD1-CE 3.41Å; N434-K569 PolarHBondContact OD1-NZ 3.09Å; I565-K569 HydrophobicContact CG2-CD 4.26Å; I565-K569 HydrophobicContact CG2-CG 4.49Å; I565-K569 WeakPolarHBondContact O-CB 3.25Å; I565-K569 VanDerWaalsContact O-CG 3.3Å; I565-K569 WeakPolarHBondContact O-CG 3.32Å; I565-K569 PolarHBondContact O-N 2.72Å; G566-K569 WeakPolarHBondContact O-CB 3.29Å; G566-K569 PolarHBondContact O-N 3.41Å; K569-K571 PolarHBondContact O-N 3.05Å; K569-K572 PolarHBondContact O-N 2.75Å; K569-K572 VanDerWaalsContact O-N 3.15Å; K569-T573 WeakPolarHBondContact O-CB 3.37Å; K569-T573 PolarHBondContact O-N 2.75Å; K569-T573 PolarHBondContact O-OG1 2.95Å
570	S	49.6	Very low	59	Low	59 Å²	59	80.8 Å²	80.8	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-42.6	179.9	74.2	0	0	0	0	112	G566 I567 K572 T573 I574	G566-S570 PolarHBondContact O-N 2.98Å; I567-S570 PolarHBondContact O-N 2.81Å; I567-S570 PolarHBondContact O-OG 2.66Å; I567-S570 VanDerWaalsContact O-OG 3.06Å; S570-K572 PolarHBondContact O-N 3.42Å; S570-T573 PolarHBondContact O-N 3.13Å; S570-I574 WeakPolarHBondContact O-CB 3.46Å; S570-I574 WeakPolarHBondContact O-CD1 3.39Å; S570-I574 WeakPolarHBondContact O-CG1 3.31Å; S570-I574 PolarHBondContact O-N 3.16Å
571	K	55	Low	57.2	Low	136 Å²	136	87.1 Å²	87.1	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-41.5	172.7	-74.5	-177.6	178.1	-177.5	0	112.7	I567 I568 K569 N575	I567-K571 WeakPolarHBondContact O-CG 3.42Å; I567-K571 PolarHBondContact O-N 2.73Å; I568-K571 PolarHBondContact O-N 3.16Å; K569-K571 PolarHBondContact O-N 3.05Å; K571-N575 WeakPolarHBondContact O-CB 3.43Å; K571-N575 VanDerWaalsContact O-CG 3.27Å; K571-N575 PolarHBondContact O-N 2.81Å
572	K	50.8	Low	55.8	Low	127 Å²	127	94 Å²	94	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-69.9	-38.4	178.4	-162.6	169.9	-173.5	173.4	0	111.9	I568 K569 S570 N575 Q576	I568-K572 WeakPolarHBondContact O-CB 3.07Å; I568-K572 PolarHBondContact O-N 3.4Å; K569-K572 PolarHBondContact O-N 2.75Å; K569-K572 VanDerWaalsContact O-N 3.15Å; S570-K572 PolarHBondContact O-N 3.42Å; K572-N575 PolarHBondContact O-N 2.93Å; K572-Q576 HydrophobicContact CG-CG 4.46Å; K572-Q576 VanDerWaalsContact O-CB 3.25Å; K572-Q576 WeakPolarHBondContact O-CB 2.99Å; K572-Q576 VanDerWaalsContact O-CG 3.27Å; K572-Q576 WeakPolarHBondContact O-CG 2.98Å; K572-Q576 PolarHBondContact O-N 2.75Å
573	T	46.6	Very low	54.3	Low	91 Å²	91	92.5 Å²	92.5	56%	0.558	46%	0.464	S	S	*	.	H	α-helix	trans	-67.7	-40.4	174.2	-55.3	0	0	0	0	111.9	K569 S570 Q576 S577	K569-T573 WeakPolarHBondContact O-CB 3.37Å; K569-T573 PolarHBondContact O-N 2.75Å; K569-T573 PolarHBondContact O-OG1 2.95Å; S570-T573 PolarHBondContact O-N 3.13Å; T573-Q576 PolarHBondContact O-N 2.86Å; T573-S577 WeakPolarHBondContact O-CB 3.35Å; T573-S577 PolarHBondContact O-N 2.02Å; T573-S577 PolarHBondContact O-OG 3.31Å; T573-S577 VanDerWaalsContact O-OG 3.09Å
574	I	48.8	Very low	53	Low	93 Å²	93	92.6 Å²	92.6	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.7	-69.9	163.5	0	0	0	110.9	S570 S577 N578	S570-I574 WeakPolarHBondContact O-CB 3.46Å; S570-I574 WeakPolarHBondContact O-CD1 3.39Å; S570-I574 WeakPolarHBondContact O-CG1 3.31Å; S570-I574 PolarHBondContact O-N 3.16Å; I574-S577 WeakPolarHBondContact CA-OG 3.22Å; I574-S577 PolarHBondContact O-OG 2.88Å; I574-N578 WeakPolarHBondContact O-CB 3.34Å; I574-N578 PolarHBondContact O-N 3.17Å; I574-N578 PolarHBondContact O-ND2 3.25Å
575	N	47.7	Very low	51.9	Low	101 Å²	101	94.9 Å²	94.9	54%	0.54	48%	0.479	S	S	.	.	H	α-helix	trans	-70.5	-39.8	177.2	-71.7	-6.3	0	0	0	111.9	K571 K572 N578 E579	K571-N575 WeakPolarHBondContact O-CB 3.43Å; K571-N575 VanDerWaalsContact O-CG 3.27Å; K571-N575 PolarHBondContact O-N 2.81Å; K572-N575 PolarHBondContact O-N 2.93Å; N575-N578 PolarHBondContact O-N 3.48Å; N575-E579 WeakPolarHBondContact O-CB 3.49Å; N575-E579 PolarHBondContact O-N 3.34Å
576	Q	48.6	Very low	50.6	Low	108 Å²	108	101.1 Å²	101.1	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-69.1	-37.9	175.2	-75.3	-179.4	-50.1	0	0	112.4	K572 T573 N578 E579 E580	K572-Q576 HydrophobicContact CG-CG 4.46Å; K572-Q576 VanDerWaalsContact O-CB 3.25Å; K572-Q576 WeakPolarHBondContact O-CB 2.99Å; K572-Q576 VanDerWaalsContact O-CG 3.27Å; K572-Q576 WeakPolarHBondContact O-CG 2.98Å; K572-Q576 PolarHBondContact O-N 2.75Å; T573-Q576 PolarHBondContact O-N 2.86Å; Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 2.88Å; Q576-E579 PolarHBondContact O-N 2.85Å; Q576-E580 WeakPolarHBondContact O-CB 3.31Å; Q576-E580 PolarHBondContact O-N 2.94Å
577	S	47.3	Very low	49.8	Very low	58 Å²	58	103.2 Å²	103.2	41%	0.406	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-37.4	173.1	61.5	0	0	0	0	111.4	T573 I574 Y581	T573-S577 WeakPolarHBondContact O-CB 3.35Å; T573-S577 PolarHBondContact O-N 2.02Å; T573-S577 PolarHBondContact O-OG 3.31Å; T573-S577 VanDerWaalsContact O-OG 3.09Å; I574-S577 WeakPolarHBondContact CA-OG 3.22Å; I574-S577 PolarHBondContact O-OG 2.88Å; S577-Y581 WeakPolarHBondContact O-CB 3.37Å; S577-Y581 PolarHBondContact O-N 3.39Å
578	N	49.1	Very low	49	Very low	98 Å²	98	106.6 Å²	106.6	52%	0.524	53%	0.532	S	S	.	.	H	α-helix	trans	-72.5	-37.6	176.7	-71.9	-16.7	0	0	0	112.6	I574 N575 Q576 K582	I574-N578 WeakPolarHBondContact O-CB 3.34Å; I574-N578 PolarHBondContact O-N 3.17Å; I574-N578 PolarHBondContact O-ND2 3.25Å; N575-N578 PolarHBondContact O-N 3.48Å; Q576-N578 VanDerWaalsContact C-N 3.29Å; Q576-N578 PolarHBondContact O-N 2.88Å; N578-K582 VanDerWaalsContact O-CB 3.31Å; N578-K582 WeakPolarHBondContact O-CB 3.28Å; N578-K582 PolarHBondContact O-N 2.88Å
579	E	49.8	Very low	48.2	Very low	134 Å²	134	113.1 Å²	113.1	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-72.6	-35.7	173.3	-76.1	-159.7	131.6	0	0	113.1	N575 Q576 K582 T583	N575-E579 WeakPolarHBondContact O-CB 3.49Å; N575-E579 PolarHBondContact O-N 3.34Å; Q576-E579 PolarHBondContact O-N 2.85Å; E579-K582 CarbonylContact O-C 3.44Å; E579-K582 PolarHBondContact O-N 3.11Å; E579-T583 WeakPolarHBondContact O-CB 3.31Å; E579-T583 PolarHBondContact O-N 3.48Å; E579-T583 PolarHBondContact O-OG1 3.44Å
580	E	45.3	Very low	47.4	Very low	104 Å²	104	113.5 Å²	113.5	49%	0.486	57%	0.572	S	S	.	*	H	α-helix	trans	-70.3	-35.5	177.1	-157.3	-175	151.3	0	0	111.2	Q576 T583 K584	Q576-E580 WeakPolarHBondContact O-CB 3.31Å; Q576-E580 PolarHBondContact O-N 2.94Å; E580-T583 WeakPolarHBondContact CA-OG1 3.45Å; E580-T583 PolarHBondContact O-OG1 3.43Å; E580-K584 HydrophobicContact CG-CD 4.35Å; E580-K584 VanDerWaalsContact O-CB 3.31Å; E580-K584 WeakPolarHBondContact O-CB 3.34Å; E580-K584 WeakPolarHBondContact O-CG 3.42Å; E580-K584 PolarHBondContact O-N 3.37Å; E580-K584 WeakPolarHBondContact OE1-CE 2.95Å; E580-K584 IonicContact OE1-NZ 3.74Å; E580-K584 PolarHBondContact OE1-NZ 3.2Å
581	Y	43.2	Very low	46.9	Very low	186 Å²	186	120 Å²	120	73%	0.729	59%	0.593	S	S	*	*	H	α-helix	trans	-62.8	-47	166.3	-124.2	-94.5	0	0	0	111	S577 T583 K584 T585	S577-Y581 WeakPolarHBondContact O-CB 3.37Å; S577-Y581 PolarHBondContact O-N 3.39Å; Y581-T583 VanDerWaalsContact C-N 3.31Å; Y581-T583 PolarHBondContact O-N 2.95Å; Y581-K584 PolarHBondContact O-N 2.03Å; Y581-T585 WeakPolarHBondContact O-CB 3.27Å; Y581-T585 PolarHBondContact O-N 2.81Å; Y581-T585 PolarHBondContact O-OG1 2.93Å
582	K	49.2	Very low	46.3	Very low	146 Å²	146	121.8 Å²	121.8	64%	0.635	60%	0.604	S	S	*	*	H	α-helix	trans	-66.6	-28.9	-177.9	-150.3	171.1	-167.7	176.4	0	113.2	N578 E579 K586	N578-K582 VanDerWaalsContact O-CB 3.31Å; N578-K582 WeakPolarHBondContact O-CB 3.28Å; N578-K582 PolarHBondContact O-N 2.88Å; E579-K582 CarbonylContact O-C 3.44Å; E579-K582 PolarHBondContact O-N 3.11Å; K582-K586 WeakPolarHBondContact O-CB 3.43Å; K582-K586 WeakPolarHBondContact O-CG 2.97Å; K582-K586 PolarHBondContact O-N 2.81Å
583	T	48.3	Very low	45.7	Very low	85 Å²	85	123.3 Å²	123.3	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-83	-41.1	175	44.7	0	0	0	0	112.4	E579 E580 Y581 T585 K586 S587	E579-T583 WeakPolarHBondContact O-CB 3.31Å; E579-T583 PolarHBondContact O-N 3.48Å; E579-T583 PolarHBondContact O-OG1 3.44Å; E580-T583 WeakPolarHBondContact CA-OG1 3.45Å; E580-T583 PolarHBondContact O-OG1 3.43Å; Y581-T583 VanDerWaalsContact C-N 3.31Å; Y581-T583 PolarHBondContact O-N 2.95Å; T583-T585 VanDerWaalsContact C-N 3.34Å; T583-T585 PolarHBondContact O-N 2.96Å; T583-K586 PolarHBondContact O-N 3.06Å; T583-K586 VanDerWaalsContact O-N 3.17Å; T583-S587 PolarHBondContact O-N 3.09Å
584	K	49.7	Very low	45	Very low	118 Å²	118	127 Å²	127	51%	0.513	63%	0.627	S	S	.	*	H	α-helix	trans	-63.5	-35.5	171.6	-79.3	170.2	171.3	162.7	0	112.7	E580 Y581 S587 I588	E580-K584 HydrophobicContact CG-CD 4.35Å; E580-K584 VanDerWaalsContact O-CB 3.31Å; E580-K584 WeakPolarHBondContact O-CB 3.34Å; E580-K584 WeakPolarHBondContact O-CG 3.42Å; E580-K584 PolarHBondContact O-N 3.37Å; E580-K584 WeakPolarHBondContact OE1-CE 2.95Å; E580-K584 IonicContact OE1-NZ 3.74Å; E580-K584 PolarHBondContact OE1-NZ 3.2Å; Y581-K584 PolarHBondContact O-N 2.03Å; K584-S587 PolarHBondContact O-OG 3.24Å; K584-I588 WeakPolarHBondContact O-CG1 3.47Å; K584-I588 PolarHBondContact O-N 3.45Å
585	T	50.4	Low	44.5	Very low	81 Å²	81	129.5 Å²	129.5	50%	0.497	64%	0.636	S	S	.	*	H	α-helix	trans	-74.5	-27	173.5	-45.3	0	0	0	0	112.7	Y581 T583	Y581-T585 WeakPolarHBondContact O-CB 3.27Å; Y581-T585 PolarHBondContact O-N 2.81Å; Y581-T585 PolarHBondContact O-OG1 2.93Å; T583-T585 VanDerWaalsContact C-N 3.34Å; T583-T585 PolarHBondContact O-N 2.96Å
586	K	45.6	Very low	43.9	Very low	152 Å²	152	131.9 Å²	131.9	66%	0.661	65%	0.647	S	S	*	*	H	α-helix	trans	-74.6	-38.5	171.5	-83.2	-176.8	173.8	-171.4	0	112.9	K582 T583 I588 K589	K582-K586 WeakPolarHBondContact O-CB 3.43Å; K582-K586 WeakPolarHBondContact O-CG 2.97Å; K582-K586 PolarHBondContact O-N 2.81Å; T583-K586 PolarHBondContact O-N 3.06Å; T583-K586 VanDerWaalsContact O-N 3.17Å; K586-I588 PolarHBondContact O-N 2.88Å; K586-K589 PolarHBondContact O-N 2.85Å
587	S	44.5	Very low	43	Very low	80 Å²	80	135.1 Å²	135.1	56%	0.559	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-9.8	178.8	73.9	0	0	0	0	114.4	T583 K584	T583-S587 PolarHBondContact O-N 3.09Å; K584-S587 PolarHBondContact O-OG 3.24Å
588	I	46.3	Very low	42.4	Very low	138 Å²	138	143.8 Å²	143.8	71%	0.708	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-11	172.9	-67	171.3	0	0	0	111.5	K584 K586	K584-I588 WeakPolarHBondContact O-CG1 3.47Å; K584-I588 PolarHBondContact O-N 3.45Å; K586-I588 PolarHBondContact O-N 2.88Å
589	K	42.6	Very low	42	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	71%	0.713	S	S	*	*	S	Bend	trans	-111.2	7.7	-177.7	-104.6	-175.7	176.3	-176.3	0	115.9	K586	K586-K589 PolarHBondContact O-N 2.85Å
590	S	37.6	Very low	41.6	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	72%	0.718	S	S	*	*	S	Bend	trans	-118.5	33.7	177.5	78.9	0	0	0	0	113.7
591	K	39.1	Very low	41.4	Very low	195 Å²	195	149.1 Å²	149.1	85%	0.848	73%	0.731	S	S	*	*	S	Bend	trans	-110.8	8.2	178.8	-125	-179.7	-176.1	-178.5	0	114.5
592	E	42.9	Very low	41.3	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	73%	0.731	S	S	*	*	S	Bend	trans	-134.7	136.3	176.8	-65.9	-178.5	138.3	0	0	109.8
593	N	36.5	Very low	40.8	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	74%	0.737	S	S	*	*			trans	60.9	111.2	179.6	-59.4	-17.9	0	0	0	116.3
594	F	33.6	Very low	40.3	Very low	170 Å²	170	151.1 Å²	151.1	75%	0.746	75%	0.751	S	S	*	*			cis	78.8	112.4	39.5	-156.6	-105.3	0	0	0	114
595	Q	37.1	Very low	39.7	Very low	144 Å²	144	153.4 Å²	153.4	67%	0.673	77%	0.768	S	S	*	*			trans	86.5	136	149.4	-104.8	-173.4	4	0	0	123.5
596	I	35.1	Very low	38.8	Very low	151 Å²	151	159 Å²	159	77%	0.774	79%	0.789	S	S	*	*			trans	102.7	127.8	150.5	-62.8	149.8	0	0	0	117.5
597	E	30.5	Very low	38.3	Very low	177 Å²	177	159.6 Å²	159.6	83%	0.827	80%	0.799	S	S	*	*			trans	-78.1	132.9	-179.1	-62.3	156.8	110.7	0	0	112.6
598	N	33.6	Very low	37.7	Very low	239 Å²	239	166.8 Å²	166.8	100%	1.278	82%	0.821	S	S	*	*				-178.2	0	121.7	-99.7	-31.3	0	0	0	110.6

Retrieved 598 of 598 residues in 658.1 ms (Link to these results)

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