A0A077ZC96_TRITR Loading...

ATP synthase subunit s-like protein

AlphaFold DB , UniProt , Accession A0A077ZC96, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 758 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44	Very low	50.2	Low	195 Å²	195	115.5 Å²	115.5	96%	0.961	62%	0.615	S	S	*	*				0	-62.9	0	-67.8	-124.8	-76.1	0	0	112.1	V3 Q4 Q5	M1-V3 PolarHBondContact O-N 3.02Å; M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 2.71Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; M1-Q5 PolarHBondContact O-N 3.07Å
2	F	42.4	Very low	50.8	Low	172 Å²	172	116.6 Å²	116.6	75%	0.754	63%	0.633	S	S	*	*	H	α-helix	trans	-64.7	-37.9	175.8	-128.9	-95.3	0	0	0	113.7	Q4 Q5 V6	F2-Q4 PolarHBondContact O-N 3.1Å; F2-Q5 PolarHBondContact O-N 2.85Å; F2-V6 PolarHBondContact O-N 2.81Å
3	V	46.4	Very low	51.7	Low	118 Å²	118	119.8 Å²	119.8	72%	0.715	65%	0.65	S	S	*	*	H	α-helix	trans	-63	-25.5	173.5	-178.7	0	0	0	0	112.3	M1	M1-V3 PolarHBondContact O-N 3.02Å
4	Q	48.2	Very low	52.6	Low	138 Å²	138	118 Å²	118	65%	0.645	63%	0.633	S	S	*	*	H	α-helix	trans	-85.6	-19.9	-177.1	-144.3	157.6	-6.8	0	0	112	M1 F2 C8	M1-Q4 WeakPolarHBondContact O-CB 3.37Å; M1-Q4 PolarHBondContact O-N 2.71Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; F2-Q4 PolarHBondContact O-N 3.1Å; Q4-C8 PolarHBondContact O-SG 3.25Å
5	Q	52	Low	53.7	Low	133 Å²	133	117.7 Å²	117.7	62%	0.621	63%	0.631	S	S	*	*	H	α-helix	trans	-84.3	-30.4	178	-133.4	166.6	1.2	0	0	112.2	M1 F2 L7 C8	M1-Q5 PolarHBondContact O-N 3.07Å; F2-Q5 PolarHBondContact O-N 2.85Å; Q5-L7 VanDerWaalsContact C-N 3.32Å; Q5-C8 PolarHBondContact O-N 3.03Å
6	V	50	Low	54.1	Low	70 Å²	70	114.8 Å²	114.8	42%	0.424	62%	0.62	S	S	.	*	H	α-helix	trans	-69.6	-31.3	175.4	179.5	0	0	0	0	111.7	F2 C8 L9 L19	F2-V6 PolarHBondContact O-N 2.81Å; V6-C8 PolarHBondContact O-N 3.4Å; V6-L9 PolarHBondContact O-N 3.38Å; V6-L19 HydrophobicContact CG1-CD1 4.28Å
7	L	50.3	Low	54.9	Low	107 Å²	107	111.3 Å²	111.3	56%	0.56	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-16.6	176.7	-73.2	168.2	0	0	0	113.9	Q5 P16	Q5-L7 VanDerWaalsContact C-N 3.32Å; L7-P16 HydrophobicContact CD2-CG 4.28Å
8	C	55.4	Low	55.4	Low	108 Å²	108	111.6 Å²	111.6	73%	0.73	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-8.7	-178.8	-60.7	0	0	0	0	113.9	Q4 Q5 V6	Q4-C8 PolarHBondContact O-SG 3.25Å; Q5-C8 PolarHBondContact O-N 3.03Å; V6-C8 PolarHBondContact O-N 3.4Å
9	L	53.9	Low	56	Low	148 Å²	148	106.3 Å²	106.3	78%	0.775	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-5.7	-179	-71.1	167.9	0	0	0	112.9	V6	V6-L9 PolarHBondContact O-N 3.38Å
10	A	52.5	Low	56.3	Low	27 Å²	27	104.4 Å²	104.4	22%	0.223	58%	0.58	C	S	.	*	S	Bend	trans	-70.7	132.1	173.9	0	0	0	0	0	109.2	L19	A10-L19 HydrophobicContact CB-CD1 4.46Å; A10-L19 HydrophobicContact CB-CD2 4.07Å
11	P	57.1	Low	56.6	Low	55 Å²	55	103.9 Å²	103.9	36%	0.357	58%	0.579	S	S	.	*			trans	-55.6	141.4	167.3	9.9	-10.9	0	0	0	109	D13 K14	P11-D13 PolarHBondContact O-N 3.33Å; P11-K14 HydrophobicContact CG-CB 4.44Å; P11-K14 HydrophobicContact CG-CD 4.16Å; P11-K14 HydrophobicContact CG-CG 4.4Å; P11-K14 PolarHBondContact O-N 2.82Å; P11-K14 VanDerWaalsContact O-N 3.16Å
12	P	57.8	Low	57.5	Low	128 Å²	128	97.9 Å²	97.9	83%	0.831	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-11.9	-164.1	17	-29.5	0	0	0	116.2
13	D	62.9	Low	58.7	Low	159 Å²	159	93 Å²	93	85%	0.85	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	4.4	-175.3	-58	-48.1	0	0	0	115	P11	P11-D13 PolarHBondContact O-N 3.33Å
14	K	63.9	Low	59.5	Low	94 Å²	94	95 Å²	95	41%	0.409	54%	0.535	S	S	.	.			trans	-99.6	123.8	178.6	-79.4	-169.6	-173.1	173.9	0	112.7	P11 E23	P11-K14 HydrophobicContact CG-CB 4.44Å; P11-K14 HydrophobicContact CG-CD 4.16Å; P11-K14 HydrophobicContact CG-CG 4.4Å; P11-K14 PolarHBondContact O-N 2.82Å; P11-K14 VanDerWaalsContact O-N 3.16Å; K14-E23 IonicContact NZ-OE1 3.34Å; K14-E23 PolarHBondContact NZ-OE1 2.91Å; K14-E23 IonicContact NZ-OE2 2.79Å
15	D	68.2	Low	60.3	Low	114 Å²	114	91.8 Å²	91.8	61%	0.61	54%	0.539	S	S	*	.			trans	-54.9	134.8	171.4	-149.3	-6.6	0	0	0	110.3	G17 N18	D15-G17 PolarHBondContact O-N 3.44Å; D15-N18 PolarHBondContact O-N 3Å
16	P	60.2	Low	60.8	Low	71 Å²	71	87.1 Å²	87.1	46%	0.461	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.2	-174.6	-24.2	33.6	0	0	0	114.1	L7 N18	L7-P16 HydrophobicContact CD2-CG 4.28Å; P16-N18 VanDerWaalsContact C-N 3.28Å
17	G	67.6	Low	61.3	Low	55 Å²	55	89.8 Å²	89.8	57%	0.567	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-67.4	-26	172.7	0	0	0	0	0	114	D15 R24	D15-G17 PolarHBondContact O-N 3.44Å; G17-R24 PolarHBondContact O-NH2 3.14Å
18	N	64.8	Low	61.8	Low	116 Å²	116	87 Å²	87	62%	0.62	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-99	4.3	-171.9	-70.7	-13.2	0	0	0	114.2	D15 P16 T20	D15-N18 PolarHBondContact O-N 3Å; P16-N18 VanDerWaalsContact C-N 3.28Å; N18-T20 PolarHBondContact O-N 3.16Å
19	L	67.1	Low	61.9	Low	12 Å²	12	88.2 Å²	88.2	6%	0.063	52%	0.519	C	S	.	.			trans	-63.3	123.6	173.1	-70.3	162	0	0	0	110.1	V6 A10 E23 R24	V6-L19 HydrophobicContact CG1-CD1 4.28Å; A10-L19 HydrophobicContact CB-CD1 4.46Å; A10-L19 HydrophobicContact CB-CD2 4.07Å; L19-E23 WeakPolarHBondContact CA-OE2 3.35Å; L19-E23 HydrophobicContact CB-CB 4.3Å; L19-E23 HydrophobicContact CD2-CB 3.88Å; L19-R24 HydrophobicContact CB-CG 3.93Å; L19-R24 PolarHBondContact O-NE 3.01Å; L19-R24 PolarHBondContact O-NH2 3.33Å
20	T	62.1	Low	62.2	Low	68 Å²	68	87.8 Å²	87.8	42%	0.417	51%	0.513	S	S	.	.			trans	-61.1	157.8	173.4	60.4	0	0	0	0	111.1	N18 A22 E23 R24	N18-T20 PolarHBondContact O-N 3.16Å; T20-A22 PolarHBondContact O-N 2.98Å; T20-E23 WeakPolarHBondContact CB-OE2 3.27Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.28Å; T20-E23 PolarHBondContact N-OE2 3.4Å; T20-E23 CarbonylContact O-C 3.54Å; T20-E23 PolarHBondContact O-N 2.93Å; T20-E23 WeakPolarHBondContact OG1-CB 3.45Å; T20-E23 WeakPolarHBondContact OG1-CG 3.12Å; T20-E23 PolarHBondContact OG1-N 3.49Å; T20-E23 PolarHBondContact OG1-OE2 3.23Å; T20-R24 PolarHBondContact O-N 2.85Å
21	T	61.7	Low	62.8	Low	93 Å²	93	89.1 Å²	89.1	57%	0.571	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34	178.2	-43.7	0	0	0	0	112	R24 G25 G26	T21-R24 PolarHBondContact O-N 3.46Å; T21-G25 PolarHBondContact O-N 3.48Å; T21-G26 WeakPolarHBondContact O-CA 3.36Å; T21-G26 PolarHBondContact O-N 3.34Å
22	A	62.8	Low	62.8	Low	69 Å²	69	89.9 Å²	89.9	57%	0.57	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-46.6	173	0	0	0	0	0	111.8	T20 R24 G25	T20-A22 PolarHBondContact O-N 2.98Å; A22-R24 PolarHBondContact O-N 2.74Å; A22-G25 PolarHBondContact O-N 2.94Å
23	E	67.4	Low	62.7	Low	71 Å²	71	85.8 Å²	85.8	33%	0.332	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.1	175.9	-71.4	163.5	154.8	0	0	112.8	K14 L19 T20 G25	K14-E23 IonicContact NZ-OE1 3.34Å; K14-E23 PolarHBondContact NZ-OE1 2.91Å; K14-E23 IonicContact NZ-OE2 2.79Å; L19-E23 WeakPolarHBondContact CA-OE2 3.35Å; L19-E23 HydrophobicContact CB-CB 4.3Å; L19-E23 HydrophobicContact CD2-CB 3.88Å; T20-E23 WeakPolarHBondContact CB-OE2 3.27Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.28Å; T20-E23 PolarHBondContact N-OE2 3.4Å; T20-E23 CarbonylContact O-C 3.54Å; T20-E23 PolarHBondContact O-N 2.93Å; T20-E23 WeakPolarHBondContact OG1-CB 3.45Å; T20-E23 WeakPolarHBondContact OG1-CG 3.12Å; T20-E23 PolarHBondContact OG1-N 3.49Å; T20-E23 PolarHBondContact OG1-OE2 3.23Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.27Å
24	R	64.5	Low	62.2	Low	159 Å²	159	85.1 Å²	85.1	60%	0.6	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.5	171.7	-66.1	-177.3	-154	177.5	2.2	114.2	G17 L19 T20 T21 A22 G26	G17-R24 PolarHBondContact O-NH2 3.14Å; L19-R24 HydrophobicContact CB-CG 3.93Å; L19-R24 PolarHBondContact O-NE 3.01Å; L19-R24 PolarHBondContact O-NH2 3.33Å; T20-R24 PolarHBondContact O-N 2.85Å; T21-R24 PolarHBondContact O-N 3.46Å; A22-R24 PolarHBondContact O-N 2.74Å; R24-G26 VanDerWaalsContact C-N 3.34Å
25	G	65.4	Low	61.6	Low	71 Å²	71	87 Å²	87	73%	0.732	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	19.2	-174.9	0	0	0	0	0	114.4	T21 A22 E23	T21-G25 PolarHBondContact O-N 3.48Å; A22-G25 PolarHBondContact O-N 2.94Å; E23-G25 VanDerWaalsContact C-N 3.27Å; E23-G25 PolarHBondContact O-N 3.27Å
26	G	60.5	Low	60.7	Low	34 Å²	34	83.4 Å²	83.4	35%	0.351	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-78.3	155.7	172.6	0	0	0	0	0	112.3	T21 R24	T21-G26 WeakPolarHBondContact O-CA 3.36Å; T21-G26 PolarHBondContact O-N 3.34Å; R24-G26 VanDerWaalsContact C-N 3.34Å
27	M	61.2	Low	60	Low	127 Å²	127	90 Å²	90	63%	0.626	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-54	141.7	168.5	-80.9	178.3	125.3	0	0	109.7	T31 Y35	M27-T31 HydrophobicContact CE-CG2 3.88Å; M27-Y35 HydrophobicContact CE-CD2 4.41Å; M27-Y35 HydrophobicContact CE-CE2 4.36Å
28	S	60.2	Low	58.7	Low	49 Å²	49	94 Å²	94	34%	0.343	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-55.9	150	174.7	82.8	0	0	0	0	110.1	E30 T31 S32	S28-E30 PolarHBondContact O-N 3.41Å; S28-T31 PolarHBondContact O-N 3.39Å; S28-T31 WeakPolarHBondContact OG-CB 3.3Å; S28-T31 PolarHBondContact OG-N 3.43Å; S28-T31 VanDerWaalsContact OG-N 3.08Å; S28-T31 PolarHBondContact OG-OG1 3.27Å; S28-S32 PolarHBondContact O-N 3.49Å
29	F	57.5	Low	57.6	Low	133 Å²	133	97.2 Å²	97.2	58%	0.583	50%	0.5	S	S	*	.	H	α-helix	trans	-56.2	-41.7	177.4	176.2	-100.9	0	0	0	111.3	T31 S32 T33	F29-T31 PolarHBondContact O-N 3.01Å; F29-S32 PolarHBondContact O-N 3.02Å; F29-T33 WeakPolarHBondContact O-CB 3.41Å; F29-T33 PolarHBondContact O-N 3.23Å; F29-T33 PolarHBondContact O-OG1 3.21Å
30	E	60.3	Low	56.5	Low	139 Å²	139	105.8 Å²	105.8	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-60.3	-46.7	177.5	-63.6	-174.6	153.1	0	0	112.2	S28 S32 T33 Y34	S28-E30 PolarHBondContact O-N 3.41Å; E30-S32 PolarHBondContact O-N 3.49Å; E30-T33 PolarHBondContact O-N 2.81Å; E30-Y34 WeakPolarHBondContact O-CB 3.15Å; E30-Y34 PolarHBondContact O-N 2.89Å
31	T	65.5	Low	56	Low	54 Å²	54	109 Å²	109	33%	0.331	55%	0.547	S	S	.	.	H	α-helix	trans	-65.1	-42.6	179.3	-47.4	0	0	0	0	110.8	M27 S28 F29 T33 Y34 Y35	M27-T31 HydrophobicContact CE-CG2 3.88Å; S28-T31 PolarHBondContact O-N 3.39Å; S28-T31 WeakPolarHBondContact OG-CB 3.3Å; S28-T31 PolarHBondContact OG-N 3.43Å; S28-T31 VanDerWaalsContact OG-N 3.08Å; S28-T31 PolarHBondContact OG-OG1 3.27Å; F29-T31 PolarHBondContact O-N 3.01Å; T31-T33 VanDerWaalsContact C-N 3.29Å; T31-T33 PolarHBondContact O-N 3.44Å; T31-Y34 PolarHBondContact O-N 3.3Å; T31-Y35 HydrophobicContact CG2-CD2 3.75Å; T31-Y35 HydrophobicContact CG2-CE2 3.63Å; T31-Y35 VanDerWaalsContact O-CD2 3.24Å; T31-Y35 WeakPolarHBondContact O-CD2 3.32Å; T31-Y35 PolarHBondContact O-N 2.84Å
32	S	57.2	Low	55.7	Low	72 Å²	72	108.5 Å²	108.5	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-36.3	175.1	-170.6	0	0	0	0	112.3	S28 F29 E30 G36	S28-S32 PolarHBondContact O-N 3.49Å; F29-S32 PolarHBondContact O-N 3.02Å; E30-S32 PolarHBondContact O-N 3.49Å; S32-G36 WeakPolarHBondContact O-CA 3.37Å; S32-G36 PolarHBondContact O-N 3.01Å
33	T	56.3	Low	55.8	Low	42 Å²	42	111.3 Å²	111.3	26%	0.258	55%	0.545	S	S	.	.	H	α-helix	trans	-74.6	-39.9	-179.9	-48.9	0	0	0	0	111.5	F29 E30 T31 G36 R37	F29-T33 WeakPolarHBondContact O-CB 3.41Å; F29-T33 PolarHBondContact O-N 3.23Å; F29-T33 PolarHBondContact O-OG1 3.21Å; E30-T33 PolarHBondContact O-N 2.81Å; T31-T33 VanDerWaalsContact C-N 3.29Å; T31-T33 PolarHBondContact O-N 3.44Å; T33-G36 PolarHBondContact O-N 3.42Å; T33-R37 WeakPolarHBondContact O-CG 3.47Å; T33-R37 PolarHBondContact O-N 3.24Å
34	Y	52.4	Low	55.8	Low	145 Å²	145	111.9 Å²	111.9	57%	0.569	55%	0.547	S	S	*	.	H	α-helix	trans	-61.2	-51.3	174.7	-171.2	-92.5	0	0	0	111	E30 T31 G36 R37 F38	E30-Y34 WeakPolarHBondContact O-CB 3.15Å; E30-Y34 PolarHBondContact O-N 2.89Å; T31-Y34 PolarHBondContact O-N 3.3Å; Y34-G36 VanDerWaalsContact C-N 3.31Å; Y34-G36 PolarHBondContact O-N 3.39Å; Y34-R37 PolarHBondContact O-N 3.41Å; Y34-F38 HydrophobicContact CD1-CD2 4.26Å; Y34-F38 HydrophobicContact CD1-CE2 4.42Å; Y34-F38 HydrophobicContact CD2-CE2 4.25Å; Y34-F38 HydrophobicContact CE1-CD2 4.01Å; Y34-F38 AromaticContact CE1-CE2 3.94Å; Y34-F38 HydrophobicContact CE1-CE2 3.94Å; Y34-F38 HydrophobicContact CE2-CD2 4.5Å; Y34-F38 AromaticContact CE2-CE2 3.76Å; Y34-F38 HydrophobicContact CE2-CE2 3.76Å; Y34-F38 AromaticContact CZ-CE2 3.58Å; Y34-F38 WeakPolarHBondContact O-CD2 3.37Å; Y34-F38 PolarHBondContact O-N 2.98Å
35	Y	51.3	Low	56.2	Low	134 Å²	134	109 Å²	109	53%	0.525	55%	0.55	S	S	.	.	H	α-helix	trans	-69.1	-27.4	176	-75.8	-69.3	0	0	0	113.3	M27 T31 R39	M27-Y35 HydrophobicContact CE-CD2 4.41Å; M27-Y35 HydrophobicContact CE-CE2 4.36Å; T31-Y35 HydrophobicContact CG2-CD2 3.75Å; T31-Y35 HydrophobicContact CG2-CE2 3.63Å; T31-Y35 VanDerWaalsContact O-CD2 3.24Å; T31-Y35 WeakPolarHBondContact O-CD2 3.32Å; T31-Y35 PolarHBondContact O-N 2.84Å; Y35-R39 WeakPolarHBondContact O-CB 3.39Å; Y35-R39 PolarHBondContact O-N 3.14Å
36	G	48.6	Very low	56.1	Low	38 Å²	38	110.1 Å²	110.1	39%	0.392	53%	0.532	S	S	.	.	H	α-helix	trans	-65.8	-43.1	172.8	0	0	0	0	0	112.6	S32 T33 Y34 F38 R39	S32-G36 WeakPolarHBondContact O-CA 3.37Å; S32-G36 PolarHBondContact O-N 3.01Å; T33-G36 PolarHBondContact O-N 3.42Å; Y34-G36 VanDerWaalsContact C-N 3.31Å; Y34-G36 PolarHBondContact O-N 3.39Å; G36-F38 PolarHBondContact O-N 3.23Å; G36-R39 PolarHBondContact O-N 3.26Å
37	R	45.2	Very low	56.3	Low	208 Å²	208	111 Å²	111	79%	0.785	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-33.2	179	-78.1	-179.9	180	170.7	1.8	113.5	T33 Y34	T33-R37 WeakPolarHBondContact O-CG 3.47Å; T33-R37 PolarHBondContact O-N 3.24Å; Y34-R37 PolarHBondContact O-N 3.41Å
38	F	41.9	Very low	56.8	Low	139 Å²	139	108.1 Å²	108.1	61%	0.61	52%	0.517	S	S	*	.	H	α-helix	trans	-91.9	-5.9	178.9	-72.1	-73.2	0	0	0	114.5	Y34 G36 Y40	Y34-F38 HydrophobicContact CD1-CD2 4.26Å; Y34-F38 HydrophobicContact CD1-CE2 4.42Å; Y34-F38 HydrophobicContact CD2-CE2 4.25Å; Y34-F38 HydrophobicContact CE1-CD2 4.01Å; Y34-F38 AromaticContact CE1-CE2 3.94Å; Y34-F38 HydrophobicContact CE1-CE2 3.94Å; Y34-F38 HydrophobicContact CE2-CD2 4.5Å; Y34-F38 AromaticContact CE2-CE2 3.76Å; Y34-F38 HydrophobicContact CE2-CE2 3.76Å; Y34-F38 AromaticContact CZ-CE2 3.58Å; Y34-F38 WeakPolarHBondContact O-CD2 3.37Å; Y34-F38 PolarHBondContact O-N 2.98Å; G36-F38 PolarHBondContact O-N 3.23Å; F38-Y40 PolarHBondContact O-N 3.5Å
39	R	40.8	Very low	57.5	Low	185 Å²	185	112 Å²	112	70%	0.698	53%	0.527	S	S	*	.	S	Bend	trans	-72.5	-12.9	-174.8	-116.7	179.2	176	142.5	0.5	114.6	Y35 G36	Y35-R39 WeakPolarHBondContact O-CB 3.39Å; Y35-R39 PolarHBondContact O-N 3.14Å; G36-R39 PolarHBondContact O-N 3.26Å
40	Y	44.8	Very low	58.1	Low	192 Å²	192	109.6 Å²	109.6	75%	0.753	52%	0.52	S	S	*	.			trans	-141.5	84.1	-176	-53.8	-76.2	0	0	0	111.4	F38 D42	F38-Y40 PolarHBondContact O-N 3.5Å; Y40-D42 PolarHBondContact O-N 3.15Å
41	I	51.7	Low	58.6	Low	136 Å²	136	109.3 Å²	109.3	70%	0.697	51%	0.514	S	S	*	.			trans	-72.2	107.5	153.8	-60.5	173.4	0	0	0	105.3	L43	I41-L43 HydrophobicContact CG2-CD2 3.72Å; I41-L43 HydrophobicContact CG2-CG 4.07Å; I41-L43 PolarHBondContact O-N 3.21Å
42	D	55.1	Low	59	Low	81 Å²	81	110.9 Å²	110.9	43%	0.433	52%	0.52	S	S	.	.			trans	-70.9	95.4	174.9	-178.5	19.2	0	0	0	109.6	Y40 H44 T47	Y40-D42 PolarHBondContact O-N 3.15Å; D42-H44 PolarHBondContact O-N 3.15Å; D42-H44 VanDerWaalsContact OD1-CB 3.25Å; D42-H44 WeakPolarHBondContact OD1-CB 3.45Å; D42-H44 PolarHBondContact OD1-N 3.03Å; D42-T47 HydrophobicContact CB-CG2 4.05Å; D42-T47 WeakPolarHBondContact OD2-CB 3.4Å; D42-T47 PolarHBondContact OD2-OG1 2.98Å
43	L	64.9	Low	60	Low	128 Å²	128	112.3 Å²	112.3	67%	0.67	52%	0.519	S	S	*	.			trans	-80.4	16.1	179	-64.8	171	0	0	0	112.8	I41 I48	I41-L43 HydrophobicContact CG2-CD2 3.72Å; I41-L43 HydrophobicContact CG2-CG 4.07Å; I41-L43 PolarHBondContact O-N 3.21Å; L43-I48 HydrophobicContact CB-CD1 4.37Å; L43-I48 HydrophobicContact CD2-CD1 4.41Å; L43-I48 VanDerWaalsContact O-CD1 3.24Å; L43-I48 WeakPolarHBondContact O-CD1 3.2Å
44	H	66.1	Low	60.9	Low	84 Å²	84	116.8 Å²	116.8	39%	0.389	53%	0.532	S	S	.	.			trans	-62.4	135.8	175.8	-171.1	-92.4	0	0	0	110.5	D42 R46 T47 I48	D42-H44 PolarHBondContact O-N 3.15Å; D42-H44 VanDerWaalsContact OD1-CB 3.25Å; D42-H44 WeakPolarHBondContact OD1-CB 3.45Å; D42-H44 PolarHBondContact OD1-N 3.03Å; H44-R46 WeakPolarHBondContact ND1-CB 3.12Å; H44-R46 PolarHBondContact ND1-N 3.38Å; H44-R46 PolarHBondContact O-N 3.28Å; H44-T47 WeakPolarHBondContact O-CA 3.35Å; H44-T47 PolarHBondContact O-N 3.41Å; H44-I48 PolarHBondContact O-N 3.03Å
45	P	72.5	Confident	62.1	Low	99 Å²	99	113.2 Å²	113.2	64%	0.643	52%	0.521	S	S	*	.	H	α-helix	trans	-54	-35.1	-175.5	-28.8	34.8	0	0	0	114.1	K49	P45-K49 VanDerWaalsContact O-CB 3.29Å; P45-K49 WeakPolarHBondContact O-CB 3.37Å; P45-K49 PolarHBondContact O-N 3.08Å
46	R	64.1	Low	63.5	Low	94 Å²	94	112.2 Å²	112.2	36%	0.355	52%	0.522	S	S	.	.	H	α-helix	trans	-66.9	-43.3	174.7	-172.3	177.2	-178.1	-125.4	5.8	112.2	H44 K49 L50	H44-R46 WeakPolarHBondContact ND1-CB 3.12Å; H44-R46 PolarHBondContact ND1-N 3.38Å; H44-R46 PolarHBondContact O-N 3.28Å; R46-K49 WeakPolarHBondContact O-CB 3.4Å; R46-K49 PolarHBondContact O-N 3.31Å; R46-L50 HydrophobicContact CG-CD1 4.26Å; R46-L50 WeakPolarHBondContact O-CG 3.49Å; R46-L50 PolarHBondContact O-N 3.3Å
47	T	65.4	Low	65.2	Low	51 Å²	51	113.3 Å²	113.3	31%	0.313	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-40	179.9	-49.9	0	0	0	0	110.6	D42 H44 K49 L50 Y51	D42-T47 HydrophobicContact CB-CG2 4.05Å; D42-T47 WeakPolarHBondContact OD2-CB 3.4Å; D42-T47 PolarHBondContact OD2-OG1 2.98Å; H44-T47 WeakPolarHBondContact O-CA 3.35Å; H44-T47 PolarHBondContact O-N 3.41Å; T47-K49 VanDerWaalsContact C-N 3.34Å; T47-K49 PolarHBondContact O-N 3.49Å; T47-L50 PolarHBondContact O-N 3.03Å; T47-Y51 VanDerWaalsContact O-CB 3.3Å; T47-Y51 WeakPolarHBondContact O-CB 3.22Å; T47-Y51 PolarHBondContact O-N 3.38Å
48	I	71.7	Confident	66.8	Low	68 Å²	68	106.3 Å²	106.3	35%	0.349	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-44.4	170.6	-64.3	172.4	0	0	0	110.7	L43 H44 Y51 N52	L43-I48 HydrophobicContact CB-CD1 4.37Å; L43-I48 HydrophobicContact CD2-CD1 4.41Å; L43-I48 VanDerWaalsContact O-CD1 3.24Å; L43-I48 WeakPolarHBondContact O-CD1 3.2Å; H44-I48 PolarHBondContact O-N 3.03Å; I48-Y51 PolarHBondContact O-N 3.01Å; I48-N52 WeakPolarHBondContact O-CB 3.28Å; I48-N52 PolarHBondContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 2.78Å
49	K	73.9	Confident	69	Low	129 Å²	129	103 Å²	103	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-61.2	-47.4	176.8	-173	-178	178.8	-172.6	0	111.8	P45 R46 T47 Y51 N52 E53	P45-K49 VanDerWaalsContact O-CB 3.29Å; P45-K49 WeakPolarHBondContact O-CB 3.37Å; P45-K49 PolarHBondContact O-N 3.08Å; R46-K49 WeakPolarHBondContact O-CB 3.4Å; R46-K49 PolarHBondContact O-N 3.31Å; T47-K49 VanDerWaalsContact C-N 3.34Å; T47-K49 PolarHBondContact O-N 3.49Å; K49-Y51 VanDerWaalsContact C-N 3.35Å; K49-Y51 PolarHBondContact O-N 3.14Å; K49-N52 PolarHBondContact O-N 3.45Å; K49-E53 WeakPolarHBondContact CE-OE1 3.38Å; K49-E53 WeakPolarHBondContact O-CB 3.15Å; K49-E53 WeakPolarHBondContact O-CG 3.43Å; K49-E53 PolarHBondContact O-N 2.83Å
50	L	69.8	Low	71.2	Confident	83 Å²	83	96.9 Å²	96.9	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-62.7	-40.6	176.7	-72.1	171	0	0	0	111.9	R46 T47 E53 Y54	R46-L50 HydrophobicContact CG-CD1 4.26Å; R46-L50 WeakPolarHBondContact O-CG 3.49Å; R46-L50 PolarHBondContact O-N 3.3Å; T47-L50 PolarHBondContact O-N 3.03Å; L50-E53 PolarHBondContact O-N 3.31Å; L50-Y54 VanDerWaalsContact O-CB 3.32Å; L50-Y54 WeakPolarHBondContact O-CB 3.47Å; L50-Y54 PolarHBondContact O-N 3.43Å
51	Y	70.9	Confident	73.2	Confident	134 Å²	134	91.2 Å²	91.2	53%	0.525	45%	0.447	S	S	.	.	H	α-helix	trans	-62.2	-45.3	174.2	175.6	-98.2	0	0	0	111.1	T47 I48 K49 Y54 Q55	T47-Y51 VanDerWaalsContact O-CB 3.3Å; T47-Y51 WeakPolarHBondContact O-CB 3.22Å; T47-Y51 PolarHBondContact O-N 3.38Å; I48-Y51 PolarHBondContact O-N 3.01Å; K49-Y51 VanDerWaalsContact C-N 3.35Å; K49-Y51 PolarHBondContact O-N 3.14Å; Y51-Y54 PolarHBondContact O-N 3.23Å; Y51-Q55 HydrophobicContact CD1-CG 4.07Å; Y51-Q55 HydrophobicContact CD2-CG 4.44Å; Y51-Q55 HydrophobicContact CE1-CG 3.62Å; Y51-Q55 HydrophobicContact CE2-CG 4.03Å; Y51-Q55 HydrophobicContact CG-CG 4.46Å; Y51-Q55 WeakPolarHBondContact O-CB 3.39Å; Y51-Q55 VanDerWaalsContact O-CG 3.32Å; Y51-Q55 WeakPolarHBondContact O-CG 3.18Å; Y51-Q55 PolarHBondContact O-N 3.25Å; Y51-Q55 PolarHBondContact OH-NE2 3.16Å
52	N	75.5	Confident	74.9	Confident	86 Å²	86	91.7 Å²	91.7	46%	0.46	44%	0.441	S	S	.	.	H	α-helix	trans	-63.7	-43	176.6	-69.8	-16.1	0	0	0	111.5	I48 K49 Y54 Q55 M56	I48-N52 WeakPolarHBondContact O-CB 3.28Å; I48-N52 PolarHBondContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 2.78Å; K49-N52 PolarHBondContact O-N 3.45Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 2.89Å; N52-Q55 PolarHBondContact O-N 3.39Å; N52-M56 WeakPolarHBondContact O-CB 3.42Å; N52-M56 VanDerWaalsContact O-CG 3.27Å; N52-M56 WeakPolarHBondContact O-CG 3.4Å; N52-M56 PolarHBondContact O-N 3.17Å
53	E	77.8	Confident	76.6	Confident	102 Å²	102	91.9 Å²	91.9	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-59.5	-42.6	173.9	-75.1	172.3	-174.9	0	0	111.5	K49 L50 M56 L57	K49-E53 WeakPolarHBondContact CE-OE1 3.38Å; K49-E53 WeakPolarHBondContact O-CB 3.15Å; K49-E53 WeakPolarHBondContact O-CG 3.43Å; K49-E53 PolarHBondContact O-N 2.83Å; L50-E53 PolarHBondContact O-N 3.31Å; E53-M56 PolarHBondContact O-N 2.87Å; E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 PolarHBondContact O-N 3.34Å
54	Y	75.2	Confident	77.9	Confident	137 Å²	137	85.8 Å²	85.8	54%	0.537	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-42.8	175.9	177.9	-106.9	0	0	0	112.6	L50 Y51 N52 L57 I58	L50-Y54 VanDerWaalsContact O-CB 3.32Å; L50-Y54 WeakPolarHBondContact O-CB 3.47Å; L50-Y54 PolarHBondContact O-N 3.43Å; Y51-Y54 PolarHBondContact O-N 3.23Å; N52-Y54 VanDerWaalsContact C-N 3.32Å; N52-Y54 PolarHBondContact O-N 2.89Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 2.95Å; Y54-I58 HydrophobicContact CD1-CD1 3.84Å; Y54-I58 HydrophobicContact CE1-CD1 3.29Å; Y54-I58 HydrophobicContact CE1-CG1 4.3Å; Y54-I58 HydrophobicContact CE2-CD1 4.24Å; Y54-I58 HydrophobicContact CE2-CG1 4.44Å; Y54-I58 WeakPolarHBondContact O-CG1 3.5Å; Y54-I58 PolarHBondContact O-N 3.27Å
55	Q	76.6	Confident	79.2	Confident	70 Å²	70	88.1 Å²	88.1	33%	0.327	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-43.7	174.1	-72.2	-61.1	-43.7	0	0	111.2	Y51 N52 L57 I58 T59	Y51-Q55 HydrophobicContact CD1-CG 4.07Å; Y51-Q55 HydrophobicContact CD2-CG 4.44Å; Y51-Q55 HydrophobicContact CE1-CG 3.62Å; Y51-Q55 HydrophobicContact CE2-CG 4.03Å; Y51-Q55 HydrophobicContact CG-CG 4.46Å; Y51-Q55 WeakPolarHBondContact O-CB 3.39Å; Y51-Q55 VanDerWaalsContact O-CG 3.32Å; Y51-Q55 WeakPolarHBondContact O-CG 3.18Å; Y51-Q55 PolarHBondContact O-N 3.25Å; Y51-Q55 PolarHBondContact OH-NE2 3.16Å; N52-Q55 PolarHBondContact O-N 3.39Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.49Å; Q55-I58 PolarHBondContact O-N 3.09Å; Q55-T59 PolarHBondContact O-N 3.31Å; Q55-T59 PolarHBondContact O-OG1 3.27Å; Q55-T59 VanDerWaalsContact O-OG1 3.08Å
56	M	81.5	Confident	80.1	Confident	113 Å²	113	87 Å²	87	56%	0.557	40%	0.4	S	S	*	.	H	α-helix	trans	-61.1	-39.5	174.5	-71.6	-143.9	74.5	0	0	112	N52 E53 T59 H60	N52-M56 WeakPolarHBondContact O-CB 3.42Å; N52-M56 VanDerWaalsContact O-CG 3.27Å; N52-M56 WeakPolarHBondContact O-CG 3.4Å; N52-M56 PolarHBondContact O-N 3.17Å; E53-M56 PolarHBondContact O-N 2.87Å; M56-T59 PolarHBondContact O-N 3.18Å; M56-H60 WeakPolarHBondContact O-CB 3.26Å; M56-H60 PolarHBondContact O-CD2 3.21Å; M56-H60 VanDerWaalsContact O-CG 3.3Å; M56-H60 PolarHBondContact O-N 2.83Å
57	L	83.6	Confident	81.4	Confident	61 Å²	61	85.5 Å²	85.5	32%	0.319	40%	0.399	S	S	.	.	H	α-helix	trans	-59.8	-47.7	174.3	-173.6	83.4	0	0	0	111.6	E53 Y54 Q55 T59 H60 Q61 F154	E53-L57 WeakPolarHBondContact O-CB 3.49Å; E53-L57 PolarHBondContact O-N 3.34Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 2.95Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 3.49Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 2.88Å; L57-H60 PolarHBondContact O-N 3.27Å; L57-Q61 PolarHBondContact O-N 3.06Å; L57-F154 HydrophobicContact CD1-CD1 3.85Å; L57-F154 HydrophobicContact CD1-CE1 3.35Å; L57-F154 HydrophobicContact CD1-CZ 3.88Å
58	I	79.6	Confident	82.7	Confident	60 Å²	60	86.3 Å²	86.3	31%	0.308	41%	0.405	S	S	.	.	H	α-helix	trans	-60.4	-45.7	177.5	-68.9	166	0	0	0	110.7	Y54 Q55 H60 Q61 Y62	Y54-I58 HydrophobicContact CD1-CD1 3.84Å; Y54-I58 HydrophobicContact CE1-CD1 3.29Å; Y54-I58 HydrophobicContact CE1-CG1 4.3Å; Y54-I58 HydrophobicContact CE2-CD1 4.24Å; Y54-I58 HydrophobicContact CE2-CG1 4.44Å; Y54-I58 WeakPolarHBondContact O-CG1 3.5Å; Y54-I58 PolarHBondContact O-N 3.27Å; Q55-I58 PolarHBondContact O-N 3.09Å; I58-H60 VanDerWaalsContact C-N 3.33Å; I58-H60 PolarHBondContact O-N 3.49Å; I58-Q61 WeakPolarHBondContact O-CB 3.47Å; I58-Q61 PolarHBondContact O-N 3.45Å; I58-Q61 VanDerWaalsContact O-N 3.16Å; I58-Y62 PolarHBondContact O-N 3.44Å
59	T	87.1	Confident	83.6	Confident	69 Å²	69	88.9 Å²	88.9	42%	0.423	42%	0.416	S	S	.	.	H	α-helix	trans	-59.8	-46	177.1	-57.9	0	0	0	0	110.8	Q55 M56 L57 Q61 Y62 D63	Q55-T59 PolarHBondContact O-N 3.31Å; Q55-T59 PolarHBondContact O-OG1 3.27Å; Q55-T59 VanDerWaalsContact O-OG1 3.08Å; M56-T59 PolarHBondContact O-N 3.18Å; L57-T59 VanDerWaalsContact C-N 3.35Å; L57-T59 PolarHBondContact O-N 2.88Å; T59-Q61 VanDerWaalsContact C-N 3.29Å; T59-Q61 PolarHBondContact O-N 3.19Å; T59-Y62 PolarHBondContact O-N 2.94Å; T59-D63 WeakPolarHBondContact O-CB 3.21Å; T59-D63 VanDerWaalsContact O-CG 3.23Å; T59-D63 PolarHBondContact O-N 2.98Å
60	H	87.2	Confident	84.4	Confident	58 Å²	58	86.8 Å²	86.8	27%	0.269	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-36.7	175.3	-74.7	-41.4	0	0	0	113	M56 L57 I58 Q64 M131	M56-H60 WeakPolarHBondContact O-CB 3.26Å; M56-H60 PolarHBondContact O-CD2 3.21Å; M56-H60 VanDerWaalsContact O-CG 3.3Å; M56-H60 PolarHBondContact O-N 2.83Å; L57-H60 PolarHBondContact O-N 3.27Å; I58-H60 VanDerWaalsContact C-N 3.33Å; I58-H60 PolarHBondContact O-N 3.49Å; H60-Q64 VanDerWaalsContact O-CB 3.28Å; H60-Q64 WeakPolarHBondContact O-CB 3.37Å; H60-Q64 WeakPolarHBondContact O-CG 3.46Å; H60-Q64 PolarHBondContact O-N 3.12Å; H60-Q64 PolarHBondContact O-NE2 3.42Å; H60-M131 HydrophobicContact CB-SD 3.87Å
61	Q	86.1	Confident	85.3	Confident	72 Å²	72	83.9 Å²	83.9	34%	0.336	39%	0.389	S	S	.	.	H	α-helix	trans	-63.7	-48.2	174.7	-163.1	176.7	10.4	0	0	111.6	L57 I58 T59 Q64 M131 E133	L57-Q61 PolarHBondContact O-N 3.06Å; I58-Q61 WeakPolarHBondContact O-CB 3.47Å; I58-Q61 PolarHBondContact O-N 3.45Å; I58-Q61 VanDerWaalsContact O-N 3.16Å; T59-Q61 VanDerWaalsContact C-N 3.29Å; T59-Q61 PolarHBondContact O-N 3.19Å; Q61-Q64 PolarHBondContact O-N 3.06Å; Q61-M131 HydrophobicContact CB-CE 3.47Å; Q61-M131 VanDerWaalsContact CB-CE 3.47Å; Q61-M131 HydrophobicContact CG-CE 3.56Å; Q61-E133 HydrophobicContact CG-CG 4.22Å; Q61-E133 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E133 PolarHBondContact NE2-OE1 2.87Å
62	Y	88.7	Confident	86.2	Confident	146 Å²	146	84.4 Å²	84.4	57%	0.573	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-45.2	-179.5	-173.7	-92.3	0	0	0	111.6	I58 T59 Q64 R65	I58-Y62 PolarHBondContact O-N 3.44Å; T59-Y62 PolarHBondContact O-N 2.94Å; Y62-Q64 PolarHBondContact O-N 2.82Å; Y62-R65 VanDerWaalsContact CD2-CZ 3.49Å; Y62-R65 WeakPolarHBondContact O-CG 3.36Å; Y62-R65 PolarHBondContact O-N 2.83Å
63	D	90.9	Very high	86.8	Confident	85 Å²	85	86.5 Å²	86.5	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-67.9	-19.8	-178.9	-70	-15.3	0	0	0	113.5	T59 R87	T59-D63 WeakPolarHBondContact O-CB 3.21Å; T59-D63 VanDerWaalsContact O-CG 3.23Å; T59-D63 PolarHBondContact O-N 2.98Å; D63-R87 PolarHBondContact O-NH2 3.19Å
64	Q	92.7	Very high	87.4	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.005	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.7	-176.9	-75.6	-175.1	63.9	0	0	114.6	H60 Q61 Y62 F83 A129 E133 G134 N137	H60-Q64 VanDerWaalsContact O-CB 3.28Å; H60-Q64 WeakPolarHBondContact O-CB 3.37Å; H60-Q64 WeakPolarHBondContact O-CG 3.46Å; H60-Q64 PolarHBondContact O-N 3.12Å; H60-Q64 PolarHBondContact O-NE2 3.42Å; Q61-Q64 PolarHBondContact O-N 3.06Å; Y62-Q64 PolarHBondContact O-N 2.82Å; Q64-F83 HydrophobicContact CB-CE2 4.47Å; Q64-F83 HydrophobicContact CB-CZ 4.19Å; Q64-F83 HydrophobicContact CG-CE2 4.32Å; Q64-F83 HydrophobicContact CG-CZ 3.95Å; Q64-A129 PolarHBondContact NE2-O 3.09Å; Q64-E133 CarbonylContact O-C 3.03Å; Q64-G134 WeakPolarHBondContact O-CA 3.24Å; Q64-N137 PolarHBondContact O-ND2 3.46Å
65	R	91.9	Very high	88.1	Confident	132 Å²	132	76.4 Å²	76.4	50%	0.498	37%	0.369	S	S	.	.	S	Bend	trans	-57.4	148.6	179.8	-66.6	175.5	-179.9	-174.6	-0.4	112.1	Y62 I67	Y62-R65 VanDerWaalsContact CD2-CZ 3.49Å; Y62-R65 WeakPolarHBondContact O-CG 3.36Å; Y62-R65 PolarHBondContact O-N 2.83Å; R65-I67 PolarHBondContact O-N 3.38Å
66	F	92.3	Very high	88.8	Confident	75 Å²	75	74.8 Å²	74.8	33%	0.329	37%	0.365	S	S	.	.			trans	-63.2	125.2	170.8	-178.8	-101	0	0	0	110.8	P68 H71 E136	F66-P68 HydrophobicContact CE1-CB 3.9Å; F66-H71 AromaticContact CD2-CE1 3.57Å; F66-H71 AromaticContact CD2-ND1 3.92Å; F66-H71 AromaticContact CE2-CD2 3.65Å; F66-H71 AromaticContact CE2-CE1 3.21Å; F66-H71 WeakPolarHBondContact CE2-CE1 3.37Å; F66-H71 AromaticContact CE2-CG 3.61Å; F66-H71 AromaticContact CE2-ND1 3.33Å; F66-H71 VanDerWaalsContact CE2-ND1 3.33Å; F66-H71 WeakPolarHBondContact CE2-ND1 3.47Å; F66-H71 AromaticContact CE2-NE2 3.43Å; F66-H71 WeakPolarHBondContact CE2-NE2 3.37Å; F66-H71 HydrophobicContact CZ-CB 4.28Å; F66-H71 AromaticContact CZ-CG 3.81Å; F66-H71 AromaticContact CZ-ND1 3.76Å; F66-E136 HydrophobicContact CB-CB 3.95Å; F66-E136 HydrophobicContact CD2-CB 4.45Å; F66-E136 WeakPolarHBondContact CD2-O 3.35Å
67	I	91.6	Very high	89.4	Confident	63 Å²	63	69.7 Å²	69.7	32%	0.323	34%	0.34	S	S	.	.			trans	-109.6	107.7	175.7	-58.5	176.4	0	0	0	108	R65 E69 R70 H71	R65-I67 PolarHBondContact O-N 3.38Å; I67-E69 HydrophobicContact CG2-CB 4.45Å; I67-E69 VanDerWaalsContact CG2-OE2 3.26Å; I67-E69 WeakPolarHBondContact CG2-OE2 3.42Å; I67-E69 PolarHBondContact O-N 3.07Å; I67-R70 HydrophobicContact CB-CB 4.22Å; I67-R70 HydrophobicContact CG2-CB 4.12Å; I67-R70 PolarHBondContact O-N 3.14Å; I67-H71 PolarHBondContact O-N 3.22Å; I67-H71 PolarHBondContact O-ND1 2.56Å; I67-H71 VanDerWaalsContact O-ND1 3.12Å
68	P	91.4	Very high	89.9	Confident	68 Å²	68	67 Å²	67	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-35.9	-176.2	23.9	-31.4	0	0	0	112.5	F66 R70 H71 L72	F66-P68 HydrophobicContact CE1-CB 3.9Å; P68-R70 VanDerWaalsContact C-N 3.25Å; P68-R70 PolarHBondContact O-N 3.13Å; P68-H71 PolarHBondContact O-N 3.21Å; P68-H71 VanDerWaalsContact O-N 3.17Å; P68-L72 PolarHBondContact O-N 3.31Å
69	E	91.2	Very high	90.5	Very high	122 Å²	122	64.1 Å²	64.1	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-62.5	-34.5	-180	-59.6	80.5	-176.6	0	0	111.7	I67 L72 L73	I67-E69 HydrophobicContact CG2-CB 4.45Å; I67-E69 VanDerWaalsContact CG2-OE2 3.26Å; I67-E69 WeakPolarHBondContact CG2-OE2 3.42Å; I67-E69 PolarHBondContact O-N 3.07Å; E69-L72 PolarHBondContact O-N 2.86Å; E69-L73 WeakPolarHBondContact O-CB 3.36Å; E69-L73 VanDerWaalsContact O-CG 3.3Å; E69-L73 WeakPolarHBondContact O-CG 3.23Å; E69-L73 PolarHBondContact O-N 3.44Å; E69-L73 VanDerWaalsContact O-N 3.1Å
70	R	90	Very high	90.8	Very high	85 Å²	85	60.9 Å²	60.9	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-43.8	176.5	-176.4	-175.9	-67.4	162.5	1.9	111.2	I67 P68 L72 L73 L74 A79	I67-R70 HydrophobicContact CB-CB 4.22Å; I67-R70 HydrophobicContact CG2-CB 4.12Å; I67-R70 PolarHBondContact O-N 3.14Å; P68-R70 VanDerWaalsContact C-N 3.25Å; P68-R70 PolarHBondContact O-N 3.13Å; R70-L72 VanDerWaalsContact C-N 3.32Å; R70-L73 PolarHBondContact O-N 3.47Å; R70-L74 HydrophobicContact CG-CD1 3.87Å; R70-L74 WeakPolarHBondContact O-CB 3.36Å; R70-L74 PolarHBondContact O-N 2.93Å; R70-A79 HydrophobicContact CG-CB 3.98Å
71	H	89.4	Confident	91.2	Very high	23 Å²	23	58.1 Å²	58.1	11%	0.106	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-37.9	178.1	-75.6	73.4	0	0	0	111.3	F66 I67 P68 G75 N137	F66-H71 AromaticContact CD2-CE1 3.57Å; F66-H71 AromaticContact CD2-ND1 3.92Å; F66-H71 AromaticContact CE2-CD2 3.65Å; F66-H71 AromaticContact CE2-CE1 3.21Å; F66-H71 WeakPolarHBondContact CE2-CE1 3.37Å; F66-H71 AromaticContact CE2-CG 3.61Å; F66-H71 AromaticContact CE2-ND1 3.33Å; F66-H71 VanDerWaalsContact CE2-ND1 3.33Å; F66-H71 WeakPolarHBondContact CE2-ND1 3.47Å; F66-H71 AromaticContact CE2-NE2 3.43Å; F66-H71 WeakPolarHBondContact CE2-NE2 3.37Å; F66-H71 HydrophobicContact CZ-CB 4.28Å; F66-H71 AromaticContact CZ-CG 3.81Å; F66-H71 AromaticContact CZ-ND1 3.76Å; I67-H71 PolarHBondContact O-N 3.22Å; I67-H71 PolarHBondContact O-ND1 2.56Å; I67-H71 VanDerWaalsContact O-ND1 3.12Å; P68-H71 PolarHBondContact O-N 3.21Å; P68-H71 VanDerWaalsContact O-N 3.17Å; H71-G75 CarbonylContact O-C 3.47Å; H71-G75 WeakPolarHBondContact O-CA 3.26Å; H71-G75 PolarHBondContact O-N 3.29Å; H71-N137 PolarHBondContact NE2-O 3.05Å
72	L	89.1	Confident	91.5	Very high	145 Å²	145	56.3 Å²	56.3	76%	0.759	27%	0.27	S	S	*	.	H	α-helix	trans	-66.3	-37.9	177.2	-169.6	68.2	0	0	0	112.8	P68 E69 R70	P68-L72 PolarHBondContact O-N 3.31Å; E69-L72 PolarHBondContact O-N 2.86Å; R70-L72 VanDerWaalsContact C-N 3.32Å
73	L	89.1	Confident	91.8	Very high	129 Å²	129	49.4 Å²	49.4	68%	0.675	24%	0.243	S	C	*	.	H	α-helix	trans	-83.1	-39.8	-176.6	-71.3	171.5	0	0	0	114	E69 R70	E69-L73 WeakPolarHBondContact O-CB 3.36Å; E69-L73 VanDerWaalsContact O-CG 3.3Å; E69-L73 WeakPolarHBondContact O-CG 3.23Å; E69-L73 PolarHBondContact O-N 3.44Å; E69-L73 VanDerWaalsContact O-N 3.1Å; R70-L73 PolarHBondContact O-N 3.47Å
74	L	89.3	Confident	91.9	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-97.9	-21	-175.7	-65	175.5	0	0	0	112.8	R70 L78 A79 G112 Q114	R70-L74 HydrophobicContact CG-CD1 3.87Å; R70-L74 WeakPolarHBondContact O-CB 3.36Å; R70-L74 PolarHBondContact O-N 2.93Å; L74-L78 HydrophobicContact CB-CB 3.99Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-A79 HydrophobicContact CB-CB 4.41Å; L74-G112 VanDerWaalsContact CD2-C 3.44Å; L74-G112 VanDerWaalsContact CD2-O 3.31Å; L74-G112 WeakPolarHBondContact CD2-O 3.36Å; L74-Q114 WeakPolarHBondContact O-CA 3.26Å; L74-Q114 WeakPolarHBondContact O-CB 3.45Å; L74-Q114 WeakPolarHBondContact O-CG 3.29Å
75	G	91	Very high	92	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	22%	0.221	C	C	.	.			trans	82.3	163	-162.6	0	0	0	0	0	112.2	H71 A79	H71-G75 CarbonylContact O-C 3.47Å; H71-G75 WeakPolarHBondContact O-CA 3.26Å; H71-G75 PolarHBondContact O-N 3.29Å; G75-A79 WeakPolarHBondContact O-CB 3.46Å; G75-A79 PolarHBondContact O-N 3.01Å
76	P	92	Very high	92	Very high	36 Å²	36	44.1 Å²	44.1	23%	0.234	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-48.9	-174.4	23.9	-32.7	0	0	0	112.7	L78 A79 A80 A139 D140	P76-L78 PolarHBondContact O-N 2.89Å; P76-A79 PolarHBondContact O-N 3.18Å; P76-A80 WeakPolarHBondContact O-CB 3.42Å; P76-A80 PolarHBondContact O-N 2.92Å; P76-A139 WeakPolarHBondContact CB-O 3.48Å; P76-D140 HydrophobicContact CB-CB 4.17Å; P76-D140 HydrophobicContact CG-CB 4.37Å
77	D	93.5	Very high	91.9	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-49.6	-179	-69	-86.4	0	0	0	113.3	S81 R119 V120 L141	D77-S81 WeakPolarHBondContact O-CB 3.49Å; D77-S81 PolarHBondContact O-N 2.95Å; D77-S81 PolarHBondContact O-OG 3.06Å; D77-R119 WeakPolarHBondContact OD1-CA 3.47Å; D77-R119 VanDerWaalsContact OD2-CD 3.31Å; D77-R119 WeakPolarHBondContact OD2-CD 3.27Å; D77-R119 IonicContact OD2-NE 3.33Å; D77-V120 HydrophobicContact CB-CG2 3.98Å; D77-V120 PolarHBondContact OD1-N 3.49Å; D77-L141 HydrophobicContact CB-CD2 4.45Å
78	L	93.1	Very high	91.9	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-37.4	179.5	-80	168	0	0	0	111.9	L74 P76 S81 H82 F93 P111 R113 L118	L74-L78 HydrophobicContact CB-CB 3.99Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; P76-L78 PolarHBondContact O-N 2.89Å; L78-S81 WeakPolarHBondContact O-CB 3.48Å; L78-S81 PolarHBondContact O-N 3.23Å; L78-H82 PolarHBondContact O-CD2 3.36Å; L78-H82 VanDerWaalsContact O-CD2 3.3Å; L78-H82 PolarHBondContact O-N 2.91Å; L78-F93 HydrophobicContact CD2-CE1 4.45Å; L78-F93 HydrophobicContact CD2-CZ 4.21Å; L78-P111 HydrophobicContact CD1-CB 4.48Å; L78-P111 HydrophobicContact CD2-CB 4.28Å; L78-P111 HydrophobicContact CD2-CG 4.28Å; L78-R113 VanDerWaalsContact CD1-O 3.27Å; L78-R113 WeakPolarHBondContact CD1-O 3.23Å; L78-L118 HydrophobicContact CD1-CD2 4.19Å; L78-L118 HydrophobicContact CD2-CD2 3.56Å; L78-L118 HydrophobicContact CG-CD2 3.87Å
79	A	93.3	Very high	92	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-46.4	175.8	0	0	0	0	0	111.5	R70 L74 G75 P76 S81 F83	R70-A79 HydrophobicContact CG-CB 3.98Å; L74-A79 HydrophobicContact CB-CB 4.41Å; G75-A79 WeakPolarHBondContact O-CB 3.46Å; G75-A79 PolarHBondContact O-N 3.01Å; P76-A79 PolarHBondContact O-N 3.18Å; A79-S81 VanDerWaalsContact C-N 3.33Å; A79-F83 WeakPolarHBondContact O-CB 3.3Å; A79-F83 PolarHBondContact O-N 3.06Å
80	A	94	Very high	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-42.7	172.7	0	0	0	0	0	111.6	P76 F83 I84 N137 F138 L141	P76-A80 WeakPolarHBondContact O-CB 3.42Å; P76-A80 PolarHBondContact O-N 2.92Å; A80-F83 WeakPolarHBondContact O-CB 3.4Å; A80-F83 PolarHBondContact O-N 2.99Å; A80-I84 PolarHBondContact O-N 3.48Å; A80-N137 WeakPolarHBondContact CB-O 3.31Å; A80-F138 HydrophobicContact CB-CD1 3.94Å; A80-F138 HydrophobicContact CB-CE1 4.41Å; A80-L141 HydrophobicContact CB-CD1 4.37Å; A80-L141 HydrophobicContact CB-CD2 4.13Å
81	S	94.2	Very high	92.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-50	179.1	-59.4	0	0	0	0	112.5	D77 L78 A79 F83 I84 V85 F93 V120	D77-S81 WeakPolarHBondContact O-CB 3.49Å; D77-S81 PolarHBondContact O-N 2.95Å; D77-S81 PolarHBondContact O-OG 3.06Å; L78-S81 WeakPolarHBondContact O-CB 3.48Å; L78-S81 PolarHBondContact O-N 3.23Å; A79-S81 VanDerWaalsContact C-N 3.33Å; S81-F83 VanDerWaalsContact C-N 3.29Å; S81-F83 PolarHBondContact O-N 3.01Å; S81-I84 PolarHBondContact O-N 2.69Å; S81-V85 WeakPolarHBondContact O-CB 3.43Å; S81-V85 VanDerWaalsContact O-CG2 3.31Å; S81-V85 WeakPolarHBondContact O-CG2 3.43Å; S81-V85 PolarHBondContact O-N 3.02Å; S81-F93 WeakPolarHBondContact OG-CE1 3.42Å; S81-F93 WeakPolarHBondContact OG-CZ 3.44Å; S81-V120 VanDerWaalsContact OG-CG2 3.31Å; S81-V120 WeakPolarHBondContact OG-CG2 3.33Å
82	H	93.4	Very high	92.7	Very high	33 Å²	33	31.3 Å²	31.3	15%	0.153	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-40.5	175.4	-87.3	-83.7	0	0	0	111.7	L78 I84 H86 Y108 L110 P111	L78-H82 PolarHBondContact O-CD2 3.36Å; L78-H82 VanDerWaalsContact O-CD2 3.3Å; L78-H82 PolarHBondContact O-N 2.91Å; H82-I84 PolarHBondContact O-N 3.26Å; H82-H86 WeakPolarHBondContact O-CB 3.05Å; H82-H86 PolarHBondContact O-N 3.43Å; H82-Y108 AromaticContact CE1-CE2 3.77Å; H82-Y108 AromaticContact ND1-CE2 3.34Å; H82-Y108 VanDerWaalsContact ND1-CE2 3.34Å; H82-Y108 WeakPolarHBondContact ND1-CE2 3.27Å; H82-Y108 AromaticContact ND1-CZ 3.66Å; H82-Y108 PolarHBondContact ND1-OH 3.38Å; H82-L110 WeakPolarHBondContact NE2-CB 3.32Å; H82-P111 PolarHBondContact NE2-O 3.19Å
83	F	93.6	Very high	92.9	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-43.3	180	176.9	-101.2	0	0	0	112.9	Q64 A79 A80 S81 R87 L130 N137 F138	Q64-F83 HydrophobicContact CB-CE2 4.47Å; Q64-F83 HydrophobicContact CB-CZ 4.19Å; Q64-F83 HydrophobicContact CG-CE2 4.32Å; Q64-F83 HydrophobicContact CG-CZ 3.95Å; A79-F83 WeakPolarHBondContact O-CB 3.3Å; A79-F83 PolarHBondContact O-N 3.06Å; A80-F83 WeakPolarHBondContact O-CB 3.4Å; A80-F83 PolarHBondContact O-N 2.99Å; S81-F83 VanDerWaalsContact C-N 3.29Å; S81-F83 PolarHBondContact O-N 3.01Å; F83-R87 PolarHBondContact O-NH1 2.95Å; F83-L130 HydrophobicContact CE1-CD2 3.66Å; F83-L130 HydrophobicContact CZ-CD2 4.27Å; F83-N137 HydrophobicContact CD1-CB 4.03Å; F83-N137 HydrophobicContact CD2-CB 4.35Å; F83-N137 HydrophobicContact CE1-CB 4.26Å; F83-N137 WeakPolarHBondContact CE2-ND2 3.47Å; F83-N137 HydrophobicContact CG-CB 4.09Å; F83-N137 WeakPolarHBondContact CZ-ND2 3.44Å; F83-F138 HydrophobicContact CD1-CE1 4.45Å
84	I	94.4	Very high	93	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-80.3	-46.7	-177.1	-68.4	-65.5	0	0	0	112.8	A80 S81 H82 H86 R87 G88 G89 V91 I123 A125 L130 F138	A80-I84 PolarHBondContact O-N 3.48Å; S81-I84 PolarHBondContact O-N 2.69Å; H82-I84 PolarHBondContact O-N 3.26Å; I84-H86 PolarHBondContact O-N 3.18Å; I84-R87 CarbonylContact O-C 3.54Å; I84-R87 WeakPolarHBondContact O-CA 3.41Å; I84-R87 PolarHBondContact O-N 3.15Å; I84-G88 PolarHBondContact O-N 3.12Å; I84-G89 PolarHBondContact O-N 3.38Å; I84-V91 HydrophobicContact CB-CG2 4.15Å; I84-V91 HydrophobicContact CG2-CG2 4.06Å; I84-I123 HydrophobicContact CG1-CG2 4.16Å; I84-I123 HydrophobicContact CG2-CG2 4.09Å; I84-A125 HydrophobicContact CD1-CB 4.21Å; I84-L130 HydrophobicContact CD1-CD1 3.89Å; I84-L130 HydrophobicContact CD1-CD2 3.94Å; I84-L130 HydrophobicContact CD1-CG 4.33Å; I84-F138 HydrophobicContact CD1-CE1 3.66Å; I84-F138 HydrophobicContact CD1-CZ 3.32Å; I84-F138 HydrophobicContact CG1-CE1 3.42Å; I84-F138 VanDerWaalsContact CG1-CE1 3.42Å; I84-F138 HydrophobicContact CG1-CZ 3.59Å
85	V	94	Very high	93	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-36.7	179.4	-179.6	0	0	0	0	110	S81 R87 G88 V91 H100 K102 Y108 L110	S81-V85 WeakPolarHBondContact O-CB 3.43Å; S81-V85 VanDerWaalsContact O-CG2 3.31Å; S81-V85 WeakPolarHBondContact O-CG2 3.43Å; S81-V85 PolarHBondContact O-N 3.02Å; V85-R87 PolarHBondContact O-N 2.99Å; V85-R87 VanDerWaalsContact O-N 3.16Å; V85-G88 PolarHBondContact O-N 3.06Å; V85-G88 VanDerWaalsContact O-N 3.08Å; V85-V91 HydrophobicContact CG2-CB 4.41Å; V85-V91 HydrophobicContact CG2-CG2 4.02Å; V85-H100 WeakPolarHBondContact CG2-O 3.07Å; V85-K102 HydrophobicContact CG1-CG 4.15Å; V85-K102 WeakPolarHBondContact O-CD 3.5Å; V85-K102 WeakPolarHBondContact O-CE 3.43Å; V85-K102 WeakPolarHBondContact O-CG 3.44Å; V85-Y108 HydrophobicContact CB-CD2 4.17Å; V85-Y108 HydrophobicContact CB-CE2 4.47Å; V85-Y108 HydrophobicContact CB-CG 4.26Å; V85-Y108 HydrophobicContact CG1-CD1 3.85Å; V85-Y108 HydrophobicContact CG1-CD2 3.65Å; V85-Y108 HydrophobicContact CG1-CE2 4.36Å; V85-Y108 HydrophobicContact CG1-CG 3.34Å; V85-L110 HydrophobicContact CB-CD1 4.21Å; V85-L110 HydrophobicContact CG2-CD1 3.99Å
86	H	91.8	Very high	92.9	Very high	106 Å²	106	26.9 Å²	26.9	49%	0.491	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.7	172.3	-174.6	-93	0	0	0	113.6	H82 I84 K102 Y108	H82-H86 WeakPolarHBondContact O-CB 3.05Å; H82-H86 PolarHBondContact O-N 3.43Å; I84-H86 PolarHBondContact O-N 3.18Å; H86-K102 VanDerWaalsContact O-CE 3.24Å; H86-K102 WeakPolarHBondContact O-CE 3.29Å; H86-K102 PolarHBondContact O-NZ 3.09Å; H86-Y108 HydrophobicContact CB-CE1 4.22Å
87	R	91.4	Very high	92.7	Very high	63 Å²	63	31.8 Å²	31.8	24%	0.238	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	3.1	179.2	-74	175.6	166.8	71	3.2	114.2	D63 F83 I84 V85	D63-R87 PolarHBondContact O-NH2 3.19Å; F83-R87 PolarHBondContact O-NH1 2.95Å; I84-R87 CarbonylContact O-C 3.54Å; I84-R87 WeakPolarHBondContact O-CA 3.41Å; I84-R87 PolarHBondContact O-N 3.15Å; V85-R87 PolarHBondContact O-N 2.99Å; V85-R87 VanDerWaalsContact O-N 3.16Å
88	G	90.8	Very high	92.7	Very high	50 Å²	50	40.5 Å²	40.5	52%	0.515	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	9.2	179.4	0	0	0	0	0	114.4	I84 V85	I84-G88 PolarHBondContact O-N 3.12Å; V85-G88 PolarHBondContact O-N 3.06Å; V85-G88 VanDerWaalsContact O-N 3.08Å
89	G	93	Very high	92.7	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	25%	0.245	C	C	.	.			trans	-80.3	179.1	167	0	0	0	0	0	112.4	I84 D124	I84-G89 PolarHBondContact O-N 3.38Å; G89-D124 CarbonylContact C-O 3.52Å; G89-D124 WeakPolarHBondContact CA-O 3.15Å
90	A	95	Very high	92.6	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.4	178.2	0	0	0	0	0	111.1	W99 H100 C101 D124	A90-W99 HydrophobicContact CB-CB 4.38Å; A90-W99 HydrophobicContact CB-CE3 3.88Å; A90-H100 CarbonylContact C-O 3.33Å; A90-H100 VanDerWaalsContact CA-O 3.26Å; A90-H100 WeakPolarHBondContact CA-O 3.18Å; A90-C101 HydrophobicContact CB-CB 3.89Å; A90-D124 HydrophobicContact CB-CB 4.41Å; A90-D124 PolarHBondContact N-O 3.06Å; A90-D124 PolarHBondContact O-N 3.41Å
91	V	95.4	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.6	-178.9	-177.9	0	0	0	0	110.7	I84 V85 H100 V120 G122 I123	I84-V91 HydrophobicContact CB-CG2 4.15Å; I84-V91 HydrophobicContact CG2-CG2 4.06Å; V85-V91 HydrophobicContact CG2-CB 4.41Å; V85-V91 HydrophobicContact CG2-CG2 4.02Å; V91-H100 PolarHBondContact N-O 3.24Å; V91-H100 PolarHBondContact O-N 3.21Å; V91-V120 HydrophobicContact CG1-CB 4.34Å; V91-V120 HydrophobicContact CG1-CG1 3.57Å; V91-V120 HydrophobicContact CG1-CG2 3.81Å; V91-G122 CarbonylContact C-O 3.24Å; V91-G122 WeakPolarHBondContact CA-O 3.49Å; V91-I123 HydrophobicContact CG1-CG1 4.4Å; V91-I123 HydrophobicContact CG2-CG1 4.34Å
92	K	94.8	Very high	92.4	Very high	37 Å²	37	54.2 Å²	54.2	16%	0.161	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.2	176.4	-171.7	-176.7	-178.8	-169.9	0	109.5	D96 D97 W99 E121 G122	K92-D96 WeakPolarHBondContact CE-O 3.46Å; K92-D96 WeakPolarHBondContact CG-O 3.47Å; K92-D97 IonicContact NZ-OD1 3.74Å; K92-W99 HydrophobicContact CB-CD2 3.95Å; K92-W99 HydrophobicContact CB-CE3 3.91Å; K92-W99 HydrophobicContact CB-CH2 4.12Å; K92-W99 HydrophobicContact CB-CZ2 4.15Å; K92-W99 HydrophobicContact CB-CZ3 3.99Å; K92-W99 HydrophobicContact CD-CZ2 4.31Å; K92-E121 IonicContact NZ-OE2 3.9Å; K92-E121 PolarHBondContact O-N 2.77Å; K92-G122 PolarHBondContact N-O 3.36Å; K92-G122 PolarHBondContact O-N 3.29Å; K92-G122 VanDerWaalsContact O-N 3.16Å
93	F	94.1	Very high	92.3	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.035	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	154.5	175.9	-63.5	-74.7	0	0	0	111.6	L78 S81 G95 D96 H100 L110 L118 R119 V120	L78-F93 HydrophobicContact CD2-CE1 4.45Å; L78-F93 HydrophobicContact CD2-CZ 4.21Å; S81-F93 WeakPolarHBondContact OG-CE1 3.42Å; S81-F93 WeakPolarHBondContact OG-CZ 3.44Å; F93-G95 PolarHBondContact O-N 3.4Å; F93-D96 HydrophobicContact CB-CB 4.45Å; F93-D96 PolarHBondContact O-N 3.25Å; F93-D96 VanDerWaalsContact O-N 3.12Å; F93-H100 AromaticContact CD2-CD2 3.57Å; F93-H100 AromaticContact CD2-NE2 3.77Å; F93-H100 AromaticContact CE2-CD2 3.71Å; F93-L110 HydrophobicContact CE2-CD2 3.68Å; F93-L110 HydrophobicContact CZ-CD2 3.91Å; F93-L118 HydrophobicContact CB-CD1 3.78Å; F93-L118 HydrophobicContact CD1-CD1 3.63Å; F93-L118 HydrophobicContact CD1-CD2 3.88Å; F93-L118 HydrophobicContact CD1-CG 3.51Å; F93-L118 HydrophobicContact CD2-CD1 4.27Å; F93-L118 HydrophobicContact CE1-CD1 4.26Å; F93-L118 HydrophobicContact CE1-CD2 3.64Å; F93-L118 HydrophobicContact CE1-CG 3.78Å; F93-L118 HydrophobicContact CG-CD1 3.63Å; F93-L118 HydrophobicContact CG-CD2 4.41Å; F93-L118 HydrophobicContact CG-CG 4.06Å; F93-L118 HydrophobicContact CZ-CD2 3.99Å; F93-R119 CarbonylContact C-O 3.48Å; F93-R119 VanDerWaalsContact CA-O 3.32Å; F93-R119 WeakPolarHBondContact CA-O 3.43Å; F93-V120 HydrophobicContact CD1-CG2 3.9Å; F93-V120 HydrophobicContact CE1-CG2 3.68Å
94	V	91.8	Very high	92	Very high	67 Å²	67	61.8 Å²	61.8	41%	0.406	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	123.2	177.8	177.2	0	0	0	0	109.5	R119 E121 Q143	V94-R119 HydrophobicContact CB-CB 4.4Å; V94-R119 HydrophobicContact CG2-CB 3.97Å; V94-R119 WeakPolarHBondContact CG2-O 3.28Å; V94-R119 PolarHBondContact N-O 3.3Å; V94-E121 HydrophobicContact CG2-CB 3.69Å; V94-E121 HydrophobicContact CG2-CG 4.29Å; V94-Q143 HydrophobicContact CG2-CB 4.16Å
95	G	88.3	Confident	91.6	Very high	82 Å²	82	70.2 Å²	70.2	85%	0.845	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-3.3	-177.7	0	0	0	0	0	115.1	F93	F93-G95 PolarHBondContact O-N 3.4Å
96	D	88.7	Confident	91.2	Very high	51 Å²	51	72 Å²	72	27%	0.273	41%	0.405	S	S	.	.			trans	-110.8	123	171.4	-171	2.7	0	0	0	110	K92 F93 R98 H100	K92-D96 WeakPolarHBondContact CE-O 3.46Å; K92-D96 WeakPolarHBondContact CG-O 3.47Å; F93-D96 HydrophobicContact CB-CB 4.45Å; F93-D96 PolarHBondContact O-N 3.25Å; F93-D96 VanDerWaalsContact O-N 3.12Å; D96-R98 PolarHBondContact O-N 3.08Å; D96-R98 WeakPolarHBondContact OD1-CB 3.45Å; D96-R98 PolarHBondContact OD1-N 2.91Å; D96-H100 IonicContact OD2-CD2 3.7Å; D96-H100 IonicContact OD2-CE1 3.93Å; D96-H100 IonicContact OD2-NE2 2.84Å; D96-H100 PolarHBondContact OD2-NE2 3.14Å
97	D	88.3	Confident	91.1	Very high	139 Å²	139	73 Å²	73	74%	0.743	41%	0.41	S	S	*	.			trans	-77	-11.1	177.6	-76.5	-35.5	0	0	0	113.4	K92	K92-D97 IonicContact NZ-OD1 3.74Å
98	R	92.6	Very high	91	Very high	191 Å²	191	73.1 Å²	73.1	72%	0.721	41%	0.411	S	S	*	.	S	Bend	trans	-86.8	141.4	-177.1	-60.7	178	-179.2	-176	1.7	111.7	D96	D96-R98 PolarHBondContact O-N 3.08Å; D96-R98 WeakPolarHBondContact OD1-CB 3.45Å; D96-R98 PolarHBondContact OD1-N 2.91Å
99	W	93.1	Very high	90.8	Very high	105 Å²	105	78.3 Å²	78.3	40%	0.398	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.1	168.3	-71.8	85.5	0	0	0	109.8	A90 K92 D124 F146	A90-W99 HydrophobicContact CB-CB 4.38Å; A90-W99 HydrophobicContact CB-CE3 3.88Å; K92-W99 HydrophobicContact CB-CD2 3.95Å; K92-W99 HydrophobicContact CB-CE3 3.91Å; K92-W99 HydrophobicContact CB-CH2 4.12Å; K92-W99 HydrophobicContact CB-CZ2 4.15Å; K92-W99 HydrophobicContact CB-CZ3 3.99Å; K92-W99 HydrophobicContact CD-CZ2 4.31Å; W99-D124 HydrophobicContact CE3-CB 4.44Å; W99-D124 HydrophobicContact CH2-CB 4.37Å; W99-D124 HydrophobicContact CZ3-CB 3.9Å; W99-F146 AromaticContact CH2-CD1 3.69Å; W99-F146 HydrophobicContact CH2-CD1 3.69Å; W99-F146 AromaticContact CH2-CE1 3.85Å; W99-F146 HydrophobicContact CH2-CE1 3.85Å; W99-F146 HydrophobicContact CZ2-CD1 4.4Å; W99-F146 HydrophobicContact CZ2-CE1 4.42Å
100	H	92.8	Very high	90.7	Very high	49 Å²	49	79.1 Å²	79.1	23%	0.227	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.7	176.6	-64.5	-86.4	0	0	0	109.2	V85 A90 V91 F93 D96 L110	V85-H100 WeakPolarHBondContact CG2-O 3.07Å; A90-H100 CarbonylContact C-O 3.33Å; A90-H100 VanDerWaalsContact CA-O 3.26Å; A90-H100 WeakPolarHBondContact CA-O 3.18Å; V91-H100 PolarHBondContact N-O 3.24Å; V91-H100 PolarHBondContact O-N 3.21Å; F93-H100 AromaticContact CD2-CD2 3.57Å; F93-H100 AromaticContact CD2-NE2 3.77Å; F93-H100 AromaticContact CE2-CD2 3.71Å; D96-H100 IonicContact OD2-CD2 3.7Å; D96-H100 IonicContact OD2-CE1 3.93Å; D96-H100 IonicContact OD2-NE2 2.84Å; D96-H100 PolarHBondContact OD2-NE2 3.14Å; H100-L110 HydrophobicContact CB-CD2 3.99Å
101	C	92.2	Very high	90.3	Very high	72 Å²	72	80.9 Å²	80.9	49%	0.486	44%	0.439	S	S	.	.			trans	-139.4	172.3	179.5	64.6	0	0	0	0	110.8	A90	A90-C101 HydrophobicContact CB-CB 3.89Å
102	K	91.7	Very high	89.7	Confident	66 Å²	66	83.8 Å²	83.8	29%	0.287	47%	0.469	S	S	.	.			trans	-67.4	135.3	171.8	-77.5	-178.5	172.9	-173.4	0	110.8	V85 H86 G106 E107 Y108	V85-K102 HydrophobicContact CG1-CG 4.15Å; V85-K102 WeakPolarHBondContact O-CD 3.5Å; V85-K102 WeakPolarHBondContact O-CE 3.43Å; V85-K102 WeakPolarHBondContact O-CG 3.44Å; H86-K102 VanDerWaalsContact O-CE 3.24Å; H86-K102 WeakPolarHBondContact O-CE 3.29Å; H86-K102 PolarHBondContact O-NZ 3.09Å; K102-G106 WeakPolarHBondContact CD-O 3.43Å; K102-E107 WeakPolarHBondContact CA-O 3.23Å; K102-Y108 HydrophobicContact CG-CD1 3.98Å
103	N	90.3	Very high	89.2	Confident	76 Å²	76	92 Å²	92	41%	0.406	50%	0.499	S	S	.	.			trans	-69.3	172.6	170	69.5	17	0	0	0	110.9	K105 G106 E107	N103-K105 PolarHBondContact O-N 3.09Å; N103-K105 VanDerWaalsContact OD1-C 3.32Å; N103-K105 VanDerWaalsContact OD1-CA 3.3Å; N103-K105 WeakPolarHBondContact OD1-CA 3.38Å; N103-K105 WeakPolarHBondContact OD1-CB 3.49Å; N103-K105 PolarHBondContact OD1-N 3.43Å; N103-G106 PolarHBondContact O-N 3.25Å; N103-G106 PolarHBondContact OD1-N 3.08Å; N103-E107 PolarHBondContact N-O 3.18Å; N103-E107 PolarHBondContact OD1-N 3.14Å; N103-E107 PolarHBondContact OD1-O 2.88Å
104	A	87.1	Confident	88.8	Confident	117 Å²	117	96.9 Å²	96.9	97%	0.967	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.7	177.7	0	0	0	0	0	114.2
105	K	87.2	Confident	88.6	Confident	178 Å²	178	97.2 Å²	97.2	77%	0.774	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.5	175.3	-59	-177	179.2	-178.8	0	113.2	N103	N103-K105 PolarHBondContact O-N 3.09Å; N103-K105 VanDerWaalsContact OD1-C 3.32Å; N103-K105 VanDerWaalsContact OD1-CA 3.3Å; N103-K105 WeakPolarHBondContact OD1-CA 3.38Å; N103-K105 WeakPolarHBondContact OD1-CB 3.49Å; N103-K105 PolarHBondContact OD1-N 3.43Å
106	G	85.8	Confident	88.2	Confident	38 Å²	38	97.9 Å²	97.9	39%	0.392	51%	0.51	S	S	.	.	S	Bend	trans	84.4	3.3	-179.3	0	0	0	0	0	115.2	K102 N103	K102-G106 WeakPolarHBondContact CD-O 3.43Å; N103-G106 PolarHBondContact O-N 3.25Å; N103-G106 PolarHBondContact OD1-N 3.08Å
107	E	88.1	Confident	88.1	Confident	126 Å²	126	102.6 Å²	102.6	59%	0.589	54%	0.535	S	S	*	.			trans	-92.9	150.9	178.1	-59.4	169.7	160.6	0	0	110.4	K102 N103	K102-E107 WeakPolarHBondContact CA-O 3.23Å; N103-E107 PolarHBondContact N-O 3.18Å; N103-E107 PolarHBondContact OD1-N 3.14Å; N103-E107 PolarHBondContact OD1-O 2.88Å
108	Y	90.2	Very high	88.2	Confident	66 Å²	66	97.7 Å²	97.7	26%	0.259	51%	0.508	S	S	.	.			trans	-140.1	150.5	174.4	65.2	-87.7	0	0	0	109.8	H82 V85 H86 K102 L110	H82-Y108 AromaticContact CE1-CE2 3.77Å; H82-Y108 AromaticContact ND1-CE2 3.34Å; H82-Y108 VanDerWaalsContact ND1-CE2 3.34Å; H82-Y108 WeakPolarHBondContact ND1-CE2 3.27Å; H82-Y108 AromaticContact ND1-CZ 3.66Å; H82-Y108 PolarHBondContact ND1-OH 3.38Å; V85-Y108 HydrophobicContact CB-CD2 4.17Å; V85-Y108 HydrophobicContact CB-CE2 4.47Å; V85-Y108 HydrophobicContact CB-CG 4.26Å; V85-Y108 HydrophobicContact CG1-CD1 3.85Å; V85-Y108 HydrophobicContact CG1-CD2 3.65Å; V85-Y108 HydrophobicContact CG1-CE2 4.36Å; V85-Y108 HydrophobicContact CG1-CG 3.34Å; H86-Y108 HydrophobicContact CB-CE1 4.22Å; K102-Y108 HydrophobicContact CG-CD1 3.98Å; Y108-L110 HydrophobicContact CD2-CB 4.15Å; Y108-L110 HydrophobicContact CD2-CD1 3.84Å; Y108-L110 HydrophobicContact CD2-CG 3.86Å; Y108-L110 HydrophobicContact CE2-CB 4.19Å; Y108-L110 HydrophobicContact CE2-CD1 3.85Å; Y108-L110 HydrophobicContact CE2-CG 4.19Å
109	I	87.2	Confident	88.2	Confident	160 Å²	160	91.5 Å²	91.5	82%	0.821	49%	0.485	S	S	*	.			trans	-112	104.8	-177.8	-56.6	171.3	0	0	0	107
110	L	90.1	Very high	88.2	Confident	21 Å²	21	86.5 Å²	86.5	11%	0.11	47%	0.466	C	S	.	.			trans	-129.8	149	171	-74.7	177.4	0	0	0	109.3	H82 V85 F93 H100 Y108 G112	H82-L110 WeakPolarHBondContact NE2-CB 3.32Å; V85-L110 HydrophobicContact CB-CD1 4.21Å; V85-L110 HydrophobicContact CG2-CD1 3.99Å; F93-L110 HydrophobicContact CE2-CD2 3.68Å; F93-L110 HydrophobicContact CZ-CD2 3.91Å; H100-L110 HydrophobicContact CB-CD2 3.99Å; Y108-L110 HydrophobicContact CD2-CB 4.15Å; Y108-L110 HydrophobicContact CD2-CD1 3.84Å; Y108-L110 HydrophobicContact CD2-CG 3.86Å; Y108-L110 HydrophobicContact CE2-CB 4.19Å; Y108-L110 HydrophobicContact CE2-CD1 3.85Å; Y108-L110 HydrophobicContact CE2-CG 4.19Å; L110-G112 PolarHBondContact O-N 3.43Å
111	P	86.6	Confident	88.3	Confident	50 Å²	50	86.4 Å²	86.4	33%	0.325	47%	0.466	S	S	.	.			trans	-60.6	123.4	177.9	-22.7	33.3	0	0	0	112.3	L78 H82 R113 I115	L78-P111 HydrophobicContact CD1-CB 4.48Å; L78-P111 HydrophobicContact CD2-CB 4.28Å; L78-P111 HydrophobicContact CD2-CG 4.28Å; H82-P111 PolarHBondContact NE2-O 3.19Å; P111-R113 PolarHBondContact O-N 3.13Å; P111-I115 HydrophobicContact CB-CD1 3.81Å; P111-I115 HydrophobicContact CG-CD1 3.8Å
112	G	83.5	Confident	88.4	Confident	60 Å²	60	83.1 Å²	83.1	62%	0.619	44%	0.444	S	S	*	.	S	Bend	trans	-82.2	10.4	176.5	0	0	0	0	0	114.9	L74 L110	L74-G112 VanDerWaalsContact CD2-C 3.44Å; L74-G112 VanDerWaalsContact CD2-O 3.31Å; L74-G112 WeakPolarHBondContact CD2-O 3.36Å; L110-G112 PolarHBondContact O-N 3.43Å
113	R	84.6	Confident	88.6	Confident	210 Å²	210	80 Å²	80	79%	0.792	43%	0.43	S	S	*	.	S	Bend	trans	-133.7	146.2	178	-66.7	-177.5	-177.9	-122.5	0.2	109	L78 P111 I115	L78-R113 VanDerWaalsContact CD1-O 3.27Å; L78-R113 WeakPolarHBondContact CD1-O 3.23Å; P111-R113 PolarHBondContact O-N 3.13Å; R113-I115 PolarHBondContact O-N 3.32Å
114	Q	85.7	Confident	88.9	Confident	111 Å²	111	78.6 Å²	78.6	52%	0.519	42%	0.423	S	S	.	.			trans	-60.4	129.4	177.1	-170.9	174.4	18.5	0	0	111.5	L74	L74-Q114 WeakPolarHBondContact O-CA 3.26Å; L74-Q114 WeakPolarHBondContact O-CB 3.45Å; L74-Q114 WeakPolarHBondContact O-CG 3.29Å
115	I	86.4	Confident	89.2	Confident	74 Å²	74	73 Å²	73	38%	0.379	38%	0.377	S	S	.	.			trans	-111.7	117.7	172.7	-61.6	173.4	0	0	0	106.7	P111 R113 D117 L118	P111-I115 HydrophobicContact CB-CD1 3.81Å; P111-I115 HydrophobicContact CG-CD1 3.8Å; R113-I115 PolarHBondContact O-N 3.32Å; I115-D117 VanDerWaalsContact C-N 3.27Å; I115-D117 PolarHBondContact O-N 3.26Å; I115-L118 HydrophobicContact CB-CB 3.9Å; I115-L118 HydrophobicContact CD1-CD2 4.39Å; I115-L118 HydrophobicContact CG2-CB 3.99Å; I115-L118 PolarHBondContact O-N 2.93Å
116	P	80.5	Confident	89.5	Confident	95 Å²	95	66.1 Å²	66.1	62%	0.617	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-33.9	-170.1	-27.3	34.2	0	0	0	115.3	R119	P116-R119 PolarHBondContact O-NH1 3.35Å
117	D	85.9	Confident	89.8	Confident	151 Å²	151	70.6 Å²	70.6	81%	0.807	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.2	-173.3	-57.2	-35.7	0	0	0	113.6	I115 R119	I115-D117 VanDerWaalsContact C-N 3.27Å; I115-D117 PolarHBondContact O-N 3.26Å; D117-R119 PolarHBondContact O-N 3.23Å
118	L	89.7	Confident	89.9	Confident	35 Å²	35	65 Å²	65	18%	0.183	34%	0.34	C	S	.	.			trans	-80.5	119	-179.2	-169	70.1	0	0	0	109.4	L78 F93 I115	L78-L118 HydrophobicContact CD1-CD2 4.19Å; L78-L118 HydrophobicContact CD2-CD2 3.56Å; L78-L118 HydrophobicContact CG-CD2 3.87Å; F93-L118 HydrophobicContact CB-CD1 3.78Å; F93-L118 HydrophobicContact CD1-CD1 3.63Å; F93-L118 HydrophobicContact CD1-CD2 3.88Å; F93-L118 HydrophobicContact CD1-CG 3.51Å; F93-L118 HydrophobicContact CD2-CD1 4.27Å; F93-L118 HydrophobicContact CE1-CD1 4.26Å; F93-L118 HydrophobicContact CE1-CD2 3.64Å; F93-L118 HydrophobicContact CE1-CG 3.78Å; F93-L118 HydrophobicContact CG-CD1 3.63Å; F93-L118 HydrophobicContact CG-CD2 4.41Å; F93-L118 HydrophobicContact CG-CG 4.06Å; F93-L118 HydrophobicContact CZ-CD2 3.99Å; I115-L118 HydrophobicContact CB-CB 3.9Å; I115-L118 HydrophobicContact CD1-CD2 4.39Å; I115-L118 HydrophobicContact CG2-CB 3.99Å; I115-L118 PolarHBondContact O-N 2.93Å
119	R	92.8	Very high	89.9	Confident	62 Å²	62	63.5 Å²	63.5	23%	0.234	34%	0.342	C	S	.	.			trans	-125.4	143.1	177.8	-66.3	-65.6	-172.8	-86.1	-2.6	110.5	D77 F93 V94 P116 D117 E142 Q143	D77-R119 WeakPolarHBondContact OD1-CA 3.47Å; D77-R119 VanDerWaalsContact OD2-CD 3.31Å; D77-R119 WeakPolarHBondContact OD2-CD 3.27Å; D77-R119 IonicContact OD2-NE 3.33Å; F93-R119 CarbonylContact C-O 3.48Å; F93-R119 VanDerWaalsContact CA-O 3.32Å; F93-R119 WeakPolarHBondContact CA-O 3.43Å; V94-R119 HydrophobicContact CB-CB 4.4Å; V94-R119 HydrophobicContact CG2-CB 3.97Å; V94-R119 WeakPolarHBondContact CG2-O 3.28Å; V94-R119 PolarHBondContact N-O 3.3Å; P116-R119 PolarHBondContact O-NH1 3.35Å; D117-R119 PolarHBondContact O-N 3.23Å; R119-E142 IonicContact CZ-OE2 3.61Å; R119-E142 IonicContact NE-OE2 2.73Å; R119-E142 PolarHBondContact NE-OE2 3.18Å; R119-E142 IonicContact NH2-OE2 3.38Å; R119-E142 PolarHBondContact NH2-OE2 3.49Å; R119-Q143 HydrophobicContact CB-CB 4.16Å; R119-Q143 HydrophobicContact CB-CG 4.3Å; R119-Q143 HydrophobicContact CG-CG 4.33Å
120	V	94.1	Very high	90.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.4	175.8	174.6	0	0	0	0	109.8	D77 S81 V91 F93 I123 Q143 L144	D77-V120 HydrophobicContact CB-CG2 3.98Å; D77-V120 PolarHBondContact OD1-N 3.49Å; S81-V120 VanDerWaalsContact OG-CG2 3.31Å; S81-V120 WeakPolarHBondContact OG-CG2 3.33Å; V91-V120 HydrophobicContact CG1-CB 4.34Å; V91-V120 HydrophobicContact CG1-CG1 3.57Å; V91-V120 HydrophobicContact CG1-CG2 3.81Å; F93-V120 HydrophobicContact CD1-CG2 3.9Å; F93-V120 HydrophobicContact CE1-CG2 3.68Å; V120-I123 HydrophobicContact CG1-CD1 4.04Å; V120-I123 HydrophobicContact CG1-CG1 3.63Å; V120-Q143 CarbonylContact O-C 3.51Å; V120-Q143 VanDerWaalsContact O-C 3.24Å; V120-L144 HydrophobicContact CG1-CD1 3.9Å; V120-L144 PolarHBondContact O-N 2.92Å
121	E	94.1	Very high	90.2	Very high	47 Å²	47	55.6 Å²	55.6	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-39.9	175.7	-168.1	-175	174.6	0	0	111.5	K92 V94 R145 F146	K92-E121 IonicContact NZ-OE2 3.9Å; K92-E121 PolarHBondContact O-N 2.77Å; V94-E121 HydrophobicContact CG2-CB 3.69Å; V94-E121 HydrophobicContact CG2-CG 4.29Å; E121-R145 PolarHBondContact O-N 3.29Å; E121-F146 PolarHBondContact O-N 3.32Å
122	G	94.8	Very high	90.4	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	140.3	-172.2	0	0	0	0	0	113.4	V91 K92 F146	V91-G122 CarbonylContact C-O 3.24Å; V91-G122 WeakPolarHBondContact CA-O 3.49Å; K92-G122 PolarHBondContact N-O 3.36Å; K92-G122 PolarHBondContact O-N 3.29Å; K92-G122 VanDerWaalsContact O-N 3.16Å; G122-F146 CarbonylContact C-O 3.19Å; G122-F146 VanDerWaalsContact CA-O 3.3Å; G122-F146 WeakPolarHBondContact CA-O 3.16Å
123	I	96.2	Very high	90.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.5	176.6	-63.9	173.1	0	0	0	108.2	I84 V91 V120 A125 F138 L141 L144 F146 L147 S148	I84-I123 HydrophobicContact CG1-CG2 4.16Å; I84-I123 HydrophobicContact CG2-CG2 4.09Å; V91-I123 HydrophobicContact CG1-CG1 4.4Å; V91-I123 HydrophobicContact CG2-CG1 4.34Å; V120-I123 HydrophobicContact CG1-CD1 4.04Å; V120-I123 HydrophobicContact CG1-CG1 3.63Å; I123-A125 HydrophobicContact CG2-CB 4.4Å; I123-F138 HydrophobicContact CD1-CD1 4.24Å; I123-F138 HydrophobicContact CD1-CE1 4Å; I123-F138 HydrophobicContact CD1-CZ 4.38Å; I123-F138 HydrophobicContact CG2-CZ 4.35Å; I123-L141 HydrophobicContact CD1-CD1 3.86Å; I123-L144 HydrophobicContact CB-CD1 4.19Å; I123-L144 HydrophobicContact CD1-CD1 3.66Å; I123-L144 HydrophobicContact CD1-CD2 4.35Å; I123-L144 HydrophobicContact CG1-CD1 3.61Å; I123-F146 PolarHBondContact N-O 3.3Å; I123-L147 HydrophobicContact CB-CD1 3.96Å; I123-L147 HydrophobicContact CG2-CD1 4.02Å; I123-L147 WeakPolarHBondContact O-CA 3.08Å; I123-S148 PolarHBondContact O-N 3.32Å
124	D	95.7	Very high	91	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.6	167.8	-178.1	16	0	0	0	109	G89 A90 W99 S126 F146 S148	G89-D124 CarbonylContact C-O 3.52Å; G89-D124 WeakPolarHBondContact CA-O 3.15Å; A90-D124 HydrophobicContact CB-CB 4.41Å; A90-D124 PolarHBondContact N-O 3.06Å; A90-D124 PolarHBondContact O-N 3.41Å; W99-D124 HydrophobicContact CE3-CB 4.44Å; W99-D124 HydrophobicContact CH2-CB 4.37Å; W99-D124 HydrophobicContact CZ3-CB 3.9Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.19Å; D124-S126 PolarHBondContact OD1-OG 3.49Å; D124-S126 PolarHBondContact OD2-OG 3.47Å; D124-F146 HydrophobicContact CB-CE1 4.49Å; D124-S148 VanDerWaalsContact OD1-CB 3.31Å; D124-S148 WeakPolarHBondContact OD1-CB 3.36Å; D124-S148 PolarHBondContact OD1-OG 3.18Å
125	A	94.6	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.			trans	-108.1	27.5	175.5	0	0	0	0	0	111.5	I84 I123 N127 T128 L130 S148 L149 C152	I84-A125 HydrophobicContact CD1-CB 4.21Å; I123-A125 HydrophobicContact CG2-CB 4.4Å; A125-N127 PolarHBondContact O-N 3.39Å; A125-T128 HydrophobicContact CB-CG2 4.27Å; A125-T128 WeakPolarHBondContact O-CB 3.39Å; A125-T128 WeakPolarHBondContact O-CG2 3.32Å; A125-T128 PolarHBondContact O-N 2.84Å; A125-T128 PolarHBondContact O-OG1 3.15Å; A125-L130 HydrophobicContact CB-CD1 3.37Å; A125-L130 HydrophobicContact CB-CG 4.48Å; A125-S148 CarbonylContact C-O 3.54Å; A125-S148 WeakPolarHBondContact CA-O 3.46Å; A125-S148 PolarHBondContact N-O 3.15Å; A125-L149 HydrophobicContact CB-CD2 4.2Å; A125-C152 PolarHBondContact O-SG 3.24Å
126	S	92.9	Very high	91.5	Very high	34 Å²	34	40.5 Å²	40.5	24%	0.238	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	139.8	176.8	58.7	0	0	0	0	112.3	D124 T128 R150	D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.19Å; D124-S126 PolarHBondContact OD1-OG 3.49Å; D124-S126 PolarHBondContact OD2-OG 3.47Å; S126-T128 PolarHBondContact O-N 3.46Å; S126-R150 CarbonylContact C-O 3.56Å; S126-R150 VanDerWaalsContact CA-O 3.24Å; S126-R150 WeakPolarHBondContact CA-O 3.46Å
127	N	91.7	Very high	92.1	Very high	131 Å²	131	36 Å²	36	70%	0.701	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	18.3	-178.5	-57.9	-59.2	0	0	0	115.4	A125 R150	A125-N127 PolarHBondContact O-N 3.39Å; N127-R150 PolarHBondContact N-O 3.33Å
128	T	91.5	Very high	92.4	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.049	15%	0.149	C	C	.	.			trans	-85.9	156.2	173.5	66.4	0	0	0	0	111.2	A125 S126 L130	A125-T128 HydrophobicContact CB-CG2 4.27Å; A125-T128 WeakPolarHBondContact O-CB 3.39Å; A125-T128 WeakPolarHBondContact O-CG2 3.32Å; A125-T128 PolarHBondContact O-N 2.84Å; A125-T128 PolarHBondContact O-OG1 3.15Å; S126-T128 PolarHBondContact O-N 3.46Å; T128-L130 PolarHBondContact O-N 2.87Å; T128-L130 VanDerWaalsContact O-N 3.14Å; T128-L130 WeakPolarHBondContact OG1-CG 3.23Å
129	A	90.3	Very high	92.3	Very high	36 Å²	36	28.3 Å²	28.3	30%	0.298	15%	0.15	S	C	.	.			trans	-84.9	41.5	175	0	0	0	0	0	111.9	Q64 M131 F154	Q64-A129 PolarHBondContact NE2-O 3.09Å; A129-M131 PolarHBondContact O-N 3.43Å; A129-F154 HydrophobicContact CB-CD2 4.07Å; A129-F154 HydrophobicContact CB-CE2 3.9Å
130	L	92.1	Very high	92	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.			trans	-65.7	131.9	179.7	-84	175.7	0	0	0	111.6	F83 I84 A125 T128 F138 L149 F154 I155	F83-L130 HydrophobicContact CE1-CD2 3.66Å; F83-L130 HydrophobicContact CZ-CD2 4.27Å; I84-L130 HydrophobicContact CD1-CD1 3.89Å; I84-L130 HydrophobicContact CD1-CD2 3.94Å; I84-L130 HydrophobicContact CD1-CG 4.33Å; A125-L130 HydrophobicContact CB-CD1 3.37Å; A125-L130 HydrophobicContact CB-CG 4.48Å; T128-L130 PolarHBondContact O-N 2.87Å; T128-L130 VanDerWaalsContact O-N 3.14Å; T128-L130 WeakPolarHBondContact OG1-CG 3.23Å; L130-F138 HydrophobicContact CD1-CZ 4.42Å; L130-L149 HydrophobicContact CD1-CD2 3.92Å; L130-F154 WeakPolarHBondContact O-CB 3.26Å; L130-I155 HydrophobicContact CB-CD1 4.28Å
131	M	90.5	Very high	91.9	Very high	14 Å²	14	32 Å²	32	7%	0.069	17%	0.174	C	C	.	.			trans	-115.3	173.8	178.5	-59.5	176.6	24.2	0	0	110.6	H60 Q61 A129 E133 G134 L135 F154	H60-M131 HydrophobicContact CB-SD 3.87Å; Q61-M131 HydrophobicContact CB-CE 3.47Å; Q61-M131 VanDerWaalsContact CB-CE 3.47Å; Q61-M131 HydrophobicContact CG-CE 3.56Å; A129-M131 PolarHBondContact O-N 3.43Å; M131-E133 VanDerWaalsContact C-N 3.35Å; M131-E133 WeakPolarHBondContact CE-OE2 3.44Å; M131-E133 PolarHBondContact O-N 3.28Å; M131-G134 PolarHBondContact O-N 3.32Å; M131-L135 PolarHBondContact O-N 3.06Å; M131-F154 HydrophobicContact CG-CB 3.8Å; M131-F154 HydrophobicContact CG-CD2 4.14Å; M131-F154 HydrophobicContact CG-CG 4.06Å
132	F	90.6	Very high	91.7	Very high	68 Å²	68	35.6 Å²	35.6	30%	0.298	19%	0.191	S	C	.	.	H	α-helix	trans	-52.9	-49.6	177.7	176.3	-98.4	0	0	0	112.3	G134 L135 F158 Q162	F132-G134 PolarHBondContact O-N 3.12Å; F132-G134 VanDerWaalsContact O-N 3.14Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 3.19Å; F132-F158 HydrophobicContact CD2-CB 3.87Å; F132-F158 HydrophobicContact CE2-CB 4.12Å; F132-Q162 HydrophobicContact CE2-CB 4.24Å; F132-Q162 VanDerWaalsContact CE2-OE1 3.31Å; F132-Q162 PolarHBondContact O-OE1 3.28Å
133	E	89.6	Confident	91.5	Very high	39 Å²	39	39.3 Å²	39.3	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-30.1	179.2	-61.5	82	173	0	0	112.3	Q61 Q64 M131 L135 E136	Q61-E133 HydrophobicContact CG-CG 4.22Å; Q61-E133 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E133 PolarHBondContact NE2-OE1 2.87Å; Q64-E133 CarbonylContact O-C 3.03Å; M131-E133 VanDerWaalsContact C-N 3.35Å; M131-E133 WeakPolarHBondContact CE-OE2 3.44Å; M131-E133 PolarHBondContact O-N 3.28Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.15Å; E133-E136 PolarHBondContact O-N 3.17Å
134	G	91.2	Very high	91.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-32.4	178.8	0	0	0	0	0	113.3	Q64 M131 F132 E136 N137	Q64-G134 WeakPolarHBondContact O-CA 3.24Å; M131-G134 PolarHBondContact O-N 3.32Å; F132-G134 PolarHBondContact O-N 3.12Å; F132-G134 VanDerWaalsContact O-N 3.14Å; G134-E136 PolarHBondContact O-N 3.14Å; G134-N137 WeakPolarHBondContact O-CB 3.44Å; G134-N137 PolarHBondContact O-N 3.25Å; G134-N137 VanDerWaalsContact O-N 3.16Å; G134-N137 PolarHBondContact O-ND2 3.04Å; G134-N137 VanDerWaalsContact O-ND2 3.11Å
135	L	92	Very high	91.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-20.6	-179.2	-68	176.9	0	0	0	113	M131 F132 E133 N137 F138 I155 C159 Q162 M163 Q165	M131-L135 PolarHBondContact O-N 3.06Å; F132-L135 WeakPolarHBondContact O-CB 3.36Å; F132-L135 PolarHBondContact O-N 3.19Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 3.15Å; L135-N137 PolarHBondContact O-N 3.41Å; L135-F138 HydrophobicContact CD2-CD2 3.64Å; L135-F138 HydrophobicContact CD2-CE2 3.59Å; L135-F138 WeakPolarHBondContact O-CB 3.33Å; L135-F138 PolarHBondContact O-N 3.45Å; L135-F138 VanDerWaalsContact O-N 3.07Å; L135-I155 HydrophobicContact CD1-CD1 4.5Å; L135-C159 HydrophobicContact CD1-CB 3.54Å; L135-Q162 HydrophobicContact CB-CG 4.35Å; L135-M163 HydrophobicContact CD1-CE 3.85Å; L135-M163 HydrophobicContact CD2-CE 4.15Å; L135-Q165 PolarHBondContact O-NE2 3.25Å
136	E	91.1	Very high	91.4	Very high	80 Å²	80	46 Å²	46	37%	0.374	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.2	-25.5	173.1	-65.5	-179.5	176.8	0	0	111.8	F66 E133 G134 F138 A139 Q162	F66-E136 HydrophobicContact CB-CB 3.95Å; F66-E136 HydrophobicContact CD2-CB 4.45Å; F66-E136 WeakPolarHBondContact CD2-O 3.35Å; E133-E136 PolarHBondContact O-N 3.17Å; G134-E136 PolarHBondContact O-N 3.14Å; E136-F138 PolarHBondContact O-N 3.35Å; E136-A139 WeakPolarHBondContact O-CB 3.47Å; E136-A139 PolarHBondContact O-N 3.28Å; E136-Q162 VanDerWaalsContact N-NE2 3.18Å
137	N	92.3	Very high	91.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-72.1	-3.3	174.5	-61.8	-85.9	0	0	0	113.5	Q64 H71 A80 F83 G134 L135	Q64-N137 PolarHBondContact O-ND2 3.46Å; H71-N137 PolarHBondContact NE2-O 3.05Å; A80-N137 WeakPolarHBondContact CB-O 3.31Å; F83-N137 HydrophobicContact CD1-CB 4.03Å; F83-N137 HydrophobicContact CD2-CB 4.35Å; F83-N137 HydrophobicContact CE1-CB 4.26Å; F83-N137 WeakPolarHBondContact CE2-ND2 3.47Å; F83-N137 HydrophobicContact CG-CB 4.09Å; F83-N137 WeakPolarHBondContact CZ-ND2 3.44Å; G134-N137 WeakPolarHBondContact O-CB 3.44Å; G134-N137 PolarHBondContact O-N 3.25Å; G134-N137 VanDerWaalsContact O-N 3.16Å; G134-N137 PolarHBondContact O-ND2 3.04Å; G134-N137 VanDerWaalsContact O-ND2 3.11Å; L135-N137 PolarHBondContact O-N 3.41Å
138	F	92.5	Very high	91.7	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-101.2	18.7	174.2	-55.9	-34.5	0	0	0	112.7	A80 F83 I84 I123 L130 L135 E136 L141 F166	A80-F138 HydrophobicContact CB-CD1 3.94Å; A80-F138 HydrophobicContact CB-CE1 4.41Å; F83-F138 HydrophobicContact CD1-CE1 4.45Å; I84-F138 HydrophobicContact CD1-CE1 3.66Å; I84-F138 HydrophobicContact CD1-CZ 3.32Å; I84-F138 HydrophobicContact CG1-CE1 3.42Å; I84-F138 VanDerWaalsContact CG1-CE1 3.42Å; I84-F138 HydrophobicContact CG1-CZ 3.59Å; I123-F138 HydrophobicContact CD1-CD1 4.24Å; I123-F138 HydrophobicContact CD1-CE1 4Å; I123-F138 HydrophobicContact CD1-CZ 4.38Å; I123-F138 HydrophobicContact CG2-CZ 4.35Å; L130-F138 HydrophobicContact CD1-CZ 4.42Å; L135-F138 HydrophobicContact CD2-CD2 3.64Å; L135-F138 HydrophobicContact CD2-CE2 3.59Å; L135-F138 WeakPolarHBondContact O-CB 3.33Å; L135-F138 PolarHBondContact O-N 3.45Å; L135-F138 VanDerWaalsContact O-N 3.07Å; E136-F138 PolarHBondContact O-N 3.35Å; F138-L141 HydrophobicContact CB-CD1 3.93Å; F138-L141 HydrophobicContact CD1-CD1 4.36Å; F138-L141 HydrophobicContact CG-CD1 4.44Å; F138-F166 HydrophobicContact CB-CE1 4.07Å; F138-F166 HydrophobicContact CB-CZ 3.66Å; F138-F166 HydrophobicContact CD2-CZ 4.11Å; F138-F166 HydrophobicContact CG-CZ 4.3Å
139	A	88.6	Confident	91.8	Very high	25 Å²	25	38.1 Å²	38.1	21%	0.207	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	144.2	172.8	0	0	0	0	0	111	P76 E136 L141	P76-A139 WeakPolarHBondContact CB-O 3.48Å; E136-A139 WeakPolarHBondContact O-CB 3.47Å; E136-A139 PolarHBondContact O-N 3.28Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 2.94Å
140	D	86.7	Confident	92	Very high	129 Å²	129	41.1 Å²	41.1	69%	0.69	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	30.2	171	-52.1	-34.2	0	0	0	116.3	P76 E142	P76-D140 HydrophobicContact CB-CB 4.17Å; P76-D140 HydrophobicContact CG-CB 4.37Å; D140-E142 PolarHBondContact O-N 3.04Å
141	L	91.8	Very high	92	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	20%	0.198	C	C	.	.			trans	-81.6	97.1	171.7	-61.5	-179.2	0	0	0	111.6	D77 A80 I123 F138 A139 Q143 L144 F166	D77-L141 HydrophobicContact CB-CD2 4.45Å; A80-L141 HydrophobicContact CB-CD1 4.37Å; A80-L141 HydrophobicContact CB-CD2 4.13Å; I123-L141 HydrophobicContact CD1-CD1 3.86Å; F138-L141 HydrophobicContact CB-CD1 3.93Å; F138-L141 HydrophobicContact CD1-CD1 4.36Å; F138-L141 HydrophobicContact CG-CD1 4.44Å; A139-L141 VanDerWaalsContact C-N 3.34Å; A139-L141 PolarHBondContact O-N 2.94Å; L141-Q143 PolarHBondContact O-N 3.33Å; L141-L144 HydrophobicContact CB-CB 4.08Å; L141-L144 HydrophobicContact CD1-CB 4.5Å; L141-L144 HydrophobicContact CD1-CD2 4.12Å; L141-F166 HydrophobicContact CD1-CE1 4.32Å
142	E	88.4	Confident	92.1	Very high	124 Å²	124	41.2 Å²	41.2	58%	0.579	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.1	-172.3	-61.9	177.6	151.5	0	0	115.2	R119 D140 T169	R119-E142 IonicContact CZ-OE2 3.61Å; R119-E142 IonicContact NE-OE2 2.73Å; R119-E142 PolarHBondContact NE-OE2 3.18Å; R119-E142 IonicContact NH2-OE2 3.38Å; R119-E142 PolarHBondContact NH2-OE2 3.49Å; D140-E142 PolarHBondContact O-N 3.04Å; E142-T169 WeakPolarHBondContact O-CG2 3.14Å
143	Q	91.2	Very high	91.9	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	16.1	-171.3	-60.4	-165.8	-17.7	0	0	114.3	V94 R119 V120 L141 R145	V94-Q143 HydrophobicContact CG2-CB 4.16Å; R119-Q143 HydrophobicContact CB-CB 4.16Å; R119-Q143 HydrophobicContact CB-CG 4.3Å; R119-Q143 HydrophobicContact CG-CG 4.33Å; V120-Q143 CarbonylContact O-C 3.51Å; V120-Q143 VanDerWaalsContact O-C 3.24Å; L141-Q143 PolarHBondContact O-N 3.33Å; Q143-R145 PolarHBondContact O-N 3.49Å
144	L	94.2	Very high	91.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.			trans	-69.7	112.4	178.6	-174.2	74.8	0	0	0	111	V120 I123 L141 F166 T169 L170	V120-L144 HydrophobicContact CG1-CD1 3.9Å; V120-L144 PolarHBondContact O-N 2.92Å; I123-L144 HydrophobicContact CB-CD1 4.19Å; I123-L144 HydrophobicContact CD1-CD1 3.66Å; I123-L144 HydrophobicContact CD1-CD2 4.35Å; I123-L144 HydrophobicContact CG1-CD1 3.61Å; L141-L144 HydrophobicContact CB-CB 4.08Å; L141-L144 HydrophobicContact CD1-CB 4.5Å; L141-L144 HydrophobicContact CD1-CD2 4.12Å; L144-F166 HydrophobicContact CD2-CD1 3.82Å; L144-F166 HydrophobicContact CD2-CE1 3.51Å; L144-F166 HydrophobicContact CD2-CG 4.48Å; L144-F166 HydrophobicContact CD2-CZ 3.91Å; L144-T169 CarbonylContact O-C 3.57Å; L144-T169 VanDerWaalsContact O-CB 3.23Å; L144-T169 WeakPolarHBondContact O-CB 3.39Å; L144-T169 PolarHBondContact O-OG1 2.94Å; L144-T169 VanDerWaalsContact O-OG1 3.13Å; L144-L170 HydrophobicContact CD2-CD1 4.28Å; L144-L170 HydrophobicContact CG-CD1 4.31Å; L144-L170 WeakPolarHBondContact O-CA 3.41Å; L144-L170 PolarHBondContact O-N 3.1Å
145	R	93.6	Very high	91.9	Very high	122 Å²	122	46.4 Å²	46.4	46%	0.46	22%	0.217	S	C	.	.			trans	-105.2	-32.5	179.8	-65	179.1	-176.3	176.5	-0.6	113.4	E121 Q143 E171 F172	E121-R145 PolarHBondContact O-N 3.29Å; Q143-R145 PolarHBondContact O-N 3.49Å; R145-E171 HydrophobicContact CB-CB 4.46Å; R145-E171 HydrophobicContact CB-CG 4.22Å; R145-E171 HydrophobicContact CG-CG 4.26Å; R145-E171 WeakPolarHBondContact O-CA 3.28Å; R145-E171 PolarHBondContact O-N 2.92Å; R145-F172 PolarHBondContact O-N 2.92Å
146	F	95.7	Very high	91.8	Very high	65 Å²	65	48.6 Å²	48.6	29%	0.285	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.4	-175.6	179.7	-81.4	0	0	0	110.6	W99 E121 G122 I123 D124 F172	W99-F146 AromaticContact CH2-CD1 3.69Å; W99-F146 HydrophobicContact CH2-CD1 3.69Å; W99-F146 AromaticContact CH2-CE1 3.85Å; W99-F146 HydrophobicContact CH2-CE1 3.85Å; W99-F146 HydrophobicContact CZ2-CD1 4.4Å; W99-F146 HydrophobicContact CZ2-CE1 4.42Å; E121-F146 PolarHBondContact O-N 3.32Å; G122-F146 CarbonylContact C-O 3.19Å; G122-F146 VanDerWaalsContact CA-O 3.3Å; G122-F146 WeakPolarHBondContact CA-O 3.16Å; I123-F146 PolarHBondContact N-O 3.3Å; D124-F146 HydrophobicContact CB-CE1 4.49Å; F146-F172 HydrophobicContact CD2-CB 3.99Å; F146-F172 AromaticContact CD2-CD1 3.28Å; F146-F172 HydrophobicContact CD2-CD1 3.28Å; F146-F172 AromaticContact CD2-CE1 3.91Å; F146-F172 HydrophobicContact CD2-CE1 3.91Å; F146-F172 AromaticContact CD2-CG 3.76Å; F146-F172 HydrophobicContact CD2-CG 3.76Å; F146-F172 AromaticContact CE2-CD1 3.19Å; F146-F172 HydrophobicContact CE2-CD1 3.19Å; F146-F172 AromaticContact CE2-CE1 3.28Å; F146-F172 HydrophobicContact CE2-CE1 3.28Å; F146-F172 AromaticContact CE2-CG 3.95Å; F146-F172 HydrophobicContact CE2-CG 3.95Å; F146-F172 HydrophobicContact CE2-CZ 4.13Å; F146-F172 HydrophobicContact CG-CD1 4.13Å; F146-F172 AromaticContact CZ-CD1 3.98Å; F146-F172 HydrophobicContact CZ-CD1 3.98Å; F146-F172 AromaticContact CZ-CE1 3.8Å; F146-F172 HydrophobicContact CZ-CE1 3.8Å
147	L	95.5	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.8	173.2	-178.2	61.1	0	0	0	110.3	I123 L149 M163 F166 L170 F172 L173 D174	I123-L147 HydrophobicContact CB-CD1 3.96Å; I123-L147 HydrophobicContact CG2-CD1 4.02Å; I123-L147 WeakPolarHBondContact O-CA 3.08Å; L147-L149 HydrophobicContact CD1-CD2 4.18Å; L147-L149 HydrophobicContact CD1-CG 4.46Å; L147-L149 HydrophobicContact CD2-CD1 4.3Å; L147-L149 HydrophobicContact CD2-CG 4.43Å; L147-L149 HydrophobicContact CG-CD2 4.4Å; L147-L149 HydrophobicContact CG-CG 4.15Å; L147-M163 HydrophobicContact CD2-CE 4.4Å; L147-M163 HydrophobicContact CD2-SD 4.1Å; L147-F166 HydrophobicContact CD2-CE2 4.06Å; L147-L170 HydrophobicContact CB-CD1 3.61Å; L147-L170 HydrophobicContact CB-CD2 4.42Å; L147-F172 PolarHBondContact N-O 3.2Å; L147-L173 HydrophobicContact CB-CD1 4.16Å; L147-L173 HydrophobicContact CD2-CD1 4.04Å; L147-L173 HydrophobicContact CG-CD1 4.11Å; L147-L173 WeakPolarHBondContact O-CA 3.06Å; L147-D174 PolarHBondContact O-N 3.5Å
148	S	95.3	Very high	91.7	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.8	173.5	158.2	0	0	0	0	110.3	I123 D124 A125	I123-S148 PolarHBondContact O-N 3.32Å; D124-S148 VanDerWaalsContact OD1-CB 3.31Å; D124-S148 WeakPolarHBondContact OD1-CB 3.36Å; D124-S148 PolarHBondContact OD1-OG 3.18Å; A125-S148 CarbonylContact C-O 3.54Å; A125-S148 WeakPolarHBondContact CA-O 3.46Å; A125-S148 PolarHBondContact N-O 3.15Å
149	L	94.7	Very high	91.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.254	C	S	.	.			trans	-116.9	20.4	175.8	-60.2	176.6	0	0	0	111.4	A125 L130 L147 G151 C152 I155 M163 L173 D174 L175 C178	A125-L149 HydrophobicContact CB-CD2 4.2Å; L130-L149 HydrophobicContact CD1-CD2 3.92Å; L147-L149 HydrophobicContact CD1-CD2 4.18Å; L147-L149 HydrophobicContact CD1-CG 4.46Å; L147-L149 HydrophobicContact CD2-CD1 4.3Å; L147-L149 HydrophobicContact CD2-CG 4.43Å; L147-L149 HydrophobicContact CG-CD2 4.4Å; L147-L149 HydrophobicContact CG-CG 4.15Å; L149-G151 PolarHBondContact O-N 2.85Å; L149-C152 VanDerWaalsContact O-CB 3.3Å; L149-C152 WeakPolarHBondContact O-CB 3.38Å; L149-C152 PolarHBondContact O-N 3.05Å; L149-C152 PolarHBondContact O-SG 3.27Å; L149-I155 HydrophobicContact CD1-CD1 4.33Å; L149-M163 HydrophobicContact CD1-CE 3.65Å; L149-L173 HydrophobicContact CD1-CD1 4.5Å; L149-D174 CarbonylContact C-O 3.47Å; L149-D174 WeakPolarHBondContact CA-O 3.5Å; L149-D174 PolarHBondContact N-O 2.91Å; L149-L175 HydrophobicContact CB-CD2 4.14Å; L149-L175 HydrophobicContact CD1-CD2 4Å; L149-C178 PolarHBondContact O-SG 2.79Å
150	R	93.8	Very high	91.9	Very high	99 Å²	99	53 Å²	53	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	131.4	-176.6	175.9	173.1	-178.1	-168.6	4.2	112.2	S126 N127 C152 S176 D177	S126-R150 CarbonylContact C-O 3.56Å; S126-R150 VanDerWaalsContact CA-O 3.24Å; S126-R150 WeakPolarHBondContact CA-O 3.46Å; N127-R150 PolarHBondContact N-O 3.33Å; R150-C152 PolarHBondContact O-N 3.24Å; R150-S176 CarbonylContact C-O 3.58Å; R150-S176 VanDerWaalsContact CA-O 3.29Å; R150-S176 WeakPolarHBondContact CA-O 3.31Å; R150-D177 IonicContact CZ-OD2 2.66Å; R150-D177 IonicContact NE-OD2 3.39Å; R150-D177 PolarHBondContact NE-OD2 2.55Å; R150-D177 IonicContact NH2-OD2 2.91Å
151	G	91.7	Very high	92.1	Very high	15 Å²	15	50.1 Å²	50.1	16%	0.155	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	15.4	175.4	0	0	0	0	0	115	L149 K153 S176	L149-G151 PolarHBondContact O-N 2.85Å; G151-K153 PolarHBondContact O-N 3.38Å; G151-S176 PolarHBondContact N-O 3.25Å
152	C	92.6	Very high	92	Very high	2 Å²	2	51 Å²	51	1%	0.014	24%	0.238	C	C	.	.			trans	-73.5	114.1	177.1	-69.1	0	0	0	0	111.2	A125 L149 R150 F154 I155	A125-C152 PolarHBondContact O-SG 3.24Å; L149-C152 VanDerWaalsContact O-CB 3.3Å; L149-C152 WeakPolarHBondContact O-CB 3.38Å; L149-C152 PolarHBondContact O-N 3.05Å; L149-C152 PolarHBondContact O-SG 3.27Å; R150-C152 PolarHBondContact O-N 3.24Å; C152-F154 VanDerWaalsContact C-N 3.3Å; C152-F154 PolarHBondContact O-N 3.09Å; C152-I155 HydrophobicContact CB-CB 4.19Å; C152-I155 HydrophobicContact CB-CG1 3.43Å; C152-I155 VanDerWaalsContact CB-CG1 3.43Å
153	K	87.6	Confident	92.1	Very high	163 Å²	163	45.1 Å²	45.1	71%	0.709	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.3	-171.6	-63	-180	-178.2	176	0	115.5	G151 K180	G151-K153 PolarHBondContact O-N 3.38Å; K153-K180 WeakPolarHBondContact O-CD 3.48Å; K153-K180 WeakPolarHBondContact O-CE 3.27Å; K153-K180 PolarHBondContact O-NZ 3.22Å
154	F	89.2	Confident	92.1	Very high	52 Å²	52	49.4 Å²	49.4	23%	0.228	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-4.2	-172.1	-57	-71.2	0	0	0	114.1	L57 A129 L130 M131 C152 N156	L57-F154 HydrophobicContact CD1-CD1 3.85Å; L57-F154 HydrophobicContact CD1-CE1 3.35Å; L57-F154 HydrophobicContact CD1-CZ 3.88Å; A129-F154 HydrophobicContact CB-CD2 4.07Å; A129-F154 HydrophobicContact CB-CE2 3.9Å; L130-F154 WeakPolarHBondContact O-CB 3.26Å; M131-F154 HydrophobicContact CG-CB 3.8Å; M131-F154 HydrophobicContact CG-CD2 4.14Å; M131-F154 HydrophobicContact CG-CG 4.06Å; C152-F154 VanDerWaalsContact C-N 3.3Å; C152-F154 PolarHBondContact O-N 3.09Å; F154-N156 PolarHBondContact O-N 3.2Å
155	I	92	Very high	91.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.24	C	C	.	.			trans	-68.2	123	175.4	-65.5	-64.3	0	0	0	109.3	L130 L135 L149 C152 C159 M160 K180 V181	L130-I155 HydrophobicContact CB-CD1 4.28Å; L135-I155 HydrophobicContact CD1-CD1 4.5Å; L149-I155 HydrophobicContact CD1-CD1 4.33Å; C152-I155 HydrophobicContact CB-CB 4.19Å; C152-I155 HydrophobicContact CB-CG1 3.43Å; C152-I155 VanDerWaalsContact CB-CG1 3.43Å; I155-C159 HydrophobicContact CD1-CB 4.08Å; I155-C159 HydrophobicContact CG2-CB 4.01Å; I155-M160 HydrophobicContact CG2-CE 3.46Å; I155-M160 VanDerWaalsContact CG2-CE 3.46Å; I155-K180 WeakPolarHBondContact O-CB 3.3Å; I155-V181 HydrophobicContact CG2-CG2 3.82Å
156	N	89.8	Confident	91.7	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.251	22%	0.218	S	C	.	.			trans	-131	-174.4	-176.6	64.3	10.4	0	0	0	110.9	F154 F158 C159 M160 K180	F154-N156 PolarHBondContact O-N 3.2Å; N156-F158 PolarHBondContact O-N 2.76Å; N156-F158 WeakPolarHBondContact OD1-CB 3.21Å; N156-F158 PolarHBondContact OD1-N 2.89Å; N156-F158 VanDerWaalsContact OD1-N 3.17Å; N156-C159 VanDerWaalsContact O-CB 3.26Å; N156-C159 WeakPolarHBondContact O-CB 3.33Å; N156-C159 PolarHBondContact O-N 3.3Å; N156-C159 VanDerWaalsContact O-N 3.07Å; N156-C159 PolarHBondContact OD1-N 3.45Å; N156-C159 PolarHBondContact OD1-SG 2.92Å; N156-C159 VanDerWaalsContact OD1-SG 3.35Å; N156-M160 PolarHBondContact O-N 3.37Å; N156-K180 HydrophobicContact CB-CB 4.28Å
157	D	91.2	Very high	91.4	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-32.4	-180	-60.1	-14.2	0	0	0	113.4	C159 M160 S161 V181 S182 G185	D157-C159 VanDerWaalsContact C-N 3.34Å; D157-C159 PolarHBondContact O-N 3.3Å; D157-M160 WeakPolarHBondContact O-CB 3.13Å; D157-M160 PolarHBondContact O-N 3.17Å; D157-M160 VanDerWaalsContact O-N 3.14Å; D157-S161 PolarHBondContact O-N 3.3Å; D157-V181 WeakPolarHBondContact OD1-CA 3.49Å; D157-S182 PolarHBondContact OD1-N 2.94Å; D157-S182 PolarHBondContact OD1-OG 3.04Å; D157-S182 VanDerWaalsContact OD2-CB 3.26Å; D157-S182 WeakPolarHBondContact OD2-CB 3.43Å; D157-S182 PolarHBondContact OD2-OG 2.91Å; D157-G185 WeakPolarHBondContact OD1-CA 3.46Å
158	F	90.2	Very high	91	Very high	143 Å²	143	48.8 Å²	48.8	63%	0.627	24%	0.237	S	C	*	.	H	α-helix	trans	-63.5	-41.2	174.8	-63.1	-82.2	0	0	0	111	F132 N156 M160 S161 Q162	F132-F158 HydrophobicContact CD2-CB 3.87Å; F132-F158 HydrophobicContact CE2-CB 4.12Å; N156-F158 PolarHBondContact O-N 2.76Å; N156-F158 WeakPolarHBondContact OD1-CB 3.21Å; N156-F158 PolarHBondContact OD1-N 2.89Å; N156-F158 VanDerWaalsContact OD1-N 3.17Å; F158-M160 VanDerWaalsContact C-N 3.25Å; F158-M160 PolarHBondContact O-N 3.4Å; F158-S161 PolarHBondContact O-N 3.32Å; F158-S161 PolarHBondContact O-OG 2.98Å; F158-Q162 PolarHBondContact O-N 3.15Å
159	C	92.3	Very high	90.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-37	173.2	-63.5	0	0	0	0	112.3	L135 I155 N156 D157 S161 Q162	L135-C159 HydrophobicContact CD1-CB 3.54Å; I155-C159 HydrophobicContact CD1-CB 4.08Å; I155-C159 HydrophobicContact CG2-CB 4.01Å; N156-C159 VanDerWaalsContact O-CB 3.26Å; N156-C159 WeakPolarHBondContact O-CB 3.33Å; N156-C159 PolarHBondContact O-N 3.3Å; N156-C159 VanDerWaalsContact O-N 3.07Å; N156-C159 PolarHBondContact OD1-N 3.45Å; N156-C159 PolarHBondContact OD1-SG 2.92Å; N156-C159 VanDerWaalsContact OD1-SG 3.35Å; D157-C159 VanDerWaalsContact C-N 3.34Å; D157-C159 PolarHBondContact O-N 3.3Å; C159-S161 VanDerWaalsContact C-N 3.35Å; C159-Q162 PolarHBondContact O-N 2.7Å
160	M	92.2	Very high	90.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-35.1	178.3	-61.5	-59.6	98.2	0	0	112.2	I155 N156 D157 F158 Q162 M163 L175 V181 G185 A188 L189	I155-M160 HydrophobicContact CG2-CE 3.46Å; I155-M160 VanDerWaalsContact CG2-CE 3.46Å; N156-M160 PolarHBondContact O-N 3.37Å; D157-M160 WeakPolarHBondContact O-CB 3.13Å; D157-M160 PolarHBondContact O-N 3.17Å; D157-M160 VanDerWaalsContact O-N 3.14Å; F158-M160 VanDerWaalsContact C-N 3.25Å; F158-M160 PolarHBondContact O-N 3.4Å; M160-Q162 PolarHBondContact O-N 3.29Å; M160-M163 HydrophobicContact CE-CE 3.87Å; M160-M163 HydrophobicContact CE-CG 4.5Å; M160-M163 VanDerWaalsContact O-CB 3.29Å; M160-M163 WeakPolarHBondContact O-CB 3.35Å; M160-M163 WeakPolarHBondContact O-CG 3.45Å; M160-M163 PolarHBondContact O-N 3.31Å; M160-M163 VanDerWaalsContact O-N 3.16Å; M160-L175 HydrophobicContact CE-CD1 4.48Å; M160-L175 HydrophobicContact CE-CD2 3.91Å; M160-L175 HydrophobicContact SD-CD1 3.6Å; M160-L175 HydrophobicContact SD-CD2 4.11Å; M160-V181 HydrophobicContact CE-CG2 4.48Å; M160-V181 HydrophobicContact CG-CG1 3.94Å; M160-V181 HydrophobicContact CG-CG2 4.47Å; M160-V181 HydrophobicContact SD-CG1 4.35Å; M160-G185 WeakPolarHBondContact CB-O 3.14Å; M160-A188 HydrophobicContact CB-CB 4.27Å; M160-L189 HydrophobicContact SD-CD2 3.98Å; M160-L189 HydrophobicContact SD-CG 4.45Å
161	S	90.7	Very high	90.9	Very high	69 Å²	69	47.6 Å²	47.6	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-31.9	175.1	76.2	0	0	0	0	112.9	D157 F158 C159 M163	D157-S161 PolarHBondContact O-N 3.3Å; F158-S161 PolarHBondContact O-N 3.32Å; F158-S161 PolarHBondContact O-OG 2.98Å; C159-S161 VanDerWaalsContact C-N 3.35Å; S161-M163 VanDerWaalsContact C-N 3.28Å; S161-M163 PolarHBondContact O-N 2.84Å
162	Q	89.6	Confident	91.1	Very high	27 Å²	27	49 Å²	49	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-75.9	-15.2	178.8	-168.3	168.7	4.8	0	0	113.2	F132 L135 E136 F158 C159 M160 R164 Q165	F132-Q162 HydrophobicContact CE2-CB 4.24Å; F132-Q162 VanDerWaalsContact CE2-OE1 3.31Å; F132-Q162 PolarHBondContact O-OE1 3.28Å; L135-Q162 HydrophobicContact CB-CG 4.35Å; E136-Q162 VanDerWaalsContact N-NE2 3.18Å; F158-Q162 PolarHBondContact O-N 3.15Å; C159-Q162 PolarHBondContact O-N 2.7Å; M160-Q162 PolarHBondContact O-N 3.29Å; Q162-R164 PolarHBondContact O-N 3.32Å; Q162-Q165 WeakPolarHBondContact O-CG 3.37Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-Q165 VanDerWaalsContact O-N 3.16Å
163	M	91	Very high	91.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-60.4	-14.2	175.7	-63.4	-65	156.7	0	0	112.9	L135 L147 L149 M160 S161 Q165 F166 L189 L192	L135-M163 HydrophobicContact CD1-CE 3.85Å; L135-M163 HydrophobicContact CD2-CE 4.15Å; L147-M163 HydrophobicContact CD2-CE 4.4Å; L147-M163 HydrophobicContact CD2-SD 4.1Å; L149-M163 HydrophobicContact CD1-CE 3.65Å; M160-M163 HydrophobicContact CE-CE 3.87Å; M160-M163 HydrophobicContact CE-CG 4.5Å; M160-M163 VanDerWaalsContact O-CB 3.29Å; M160-M163 WeakPolarHBondContact O-CB 3.35Å; M160-M163 WeakPolarHBondContact O-CG 3.45Å; M160-M163 PolarHBondContact O-N 3.31Å; M160-M163 VanDerWaalsContact O-N 3.16Å; S161-M163 VanDerWaalsContact C-N 3.28Å; S161-M163 PolarHBondContact O-N 2.84Å; M163-Q165 PolarHBondContact O-N 3.17Å; M163-Q165 VanDerWaalsContact O-N 3.08Å; M163-F166 PolarHBondContact O-N 3.45Å; M163-F166 HydrophobicContact SD-CD2 3.86Å; M163-F166 HydrophobicContact SD-CE2 3.81Å; M163-L189 HydrophobicContact CB-CD2 4.12Å; M163-L189 HydrophobicContact CG-CD2 4Å; M163-L192 HydrophobicContact CB-CD1 4.37Å; M163-L192 VanDerWaalsContact O-CD2 3.3Å; M163-L192 WeakPolarHBondContact O-CD2 3.37Å
164	R	90.7	Very high	91.6	Very high	170 Å²	170	41.5 Å²	41.5	64%	0.642	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-50.7	-30.4	171.6	-173.3	173.6	-177	-119	-3.3	113.4	Q162 F166 E167	Q162-R164 PolarHBondContact O-N 3.32Å; R164-F166 PolarHBondContact O-N 2.71Å; R164-F166 VanDerWaalsContact O-N 3.07Å; R164-E167 WeakPolarHBondContact O-CB 3.47Å; R164-E167 PolarHBondContact O-N 3.35Å; R164-E167 VanDerWaalsContact O-N 3.09Å
165	Q	89.8	Confident	91.8	Very high	71 Å²	71	39 Å²	39	33%	0.332	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60	-18.1	176	72.6	-165.8	15.9	0	0	113.5	L135 Q162 M163	L135-Q165 PolarHBondContact O-NE2 3.25Å; Q162-Q165 WeakPolarHBondContact O-CG 3.37Å; Q162-Q165 PolarHBondContact O-N 3.09Å; Q162-Q165 VanDerWaalsContact O-N 3.16Å; M163-Q165 PolarHBondContact O-N 3.17Å; M163-Q165 VanDerWaalsContact O-N 3.08Å
166	F	91	Very high	91.8	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-106.1	15.6	178.2	-46.8	-62.1	0	0	0	114.4	F138 L141 L144 L147 M163 R164 G168 T169 L170 L192	F138-F166 HydrophobicContact CB-CE1 4.07Å; F138-F166 HydrophobicContact CB-CZ 3.66Å; F138-F166 HydrophobicContact CD2-CZ 4.11Å; F138-F166 HydrophobicContact CG-CZ 4.3Å; L141-F166 HydrophobicContact CD1-CE1 4.32Å; L144-F166 HydrophobicContact CD2-CD1 3.82Å; L144-F166 HydrophobicContact CD2-CE1 3.51Å; L144-F166 HydrophobicContact CD2-CG 4.48Å; L144-F166 HydrophobicContact CD2-CZ 3.91Å; L147-F166 HydrophobicContact CD2-CE2 4.06Å; M163-F166 PolarHBondContact O-N 3.45Å; M163-F166 HydrophobicContact SD-CD2 3.86Å; M163-F166 HydrophobicContact SD-CE2 3.81Å; R164-F166 PolarHBondContact O-N 2.71Å; R164-F166 VanDerWaalsContact O-N 3.07Å; F166-G168 PolarHBondContact O-N 3.18Å; F166-T169 PolarHBondContact O-N 3.32Å; F166-T169 VanDerWaalsContact O-N 3.1Å; F166-L170 HydrophobicContact CB-CB 3.91Å; F166-L170 PolarHBondContact O-N 3.31Å; F166-L192 HydrophobicContact CB-CD2 4.11Å
167	E	88.8	Confident	91.8	Very high	61 Å²	61	40 Å²	40	29%	0.285	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-35.8	-177.8	168.6	167.6	-169.7	0	0	113	R164 C191 K193	R164-E167 WeakPolarHBondContact O-CB 3.47Å; R164-E167 PolarHBondContact O-N 3.35Å; R164-E167 VanDerWaalsContact O-N 3.09Å; E167-C191 VanDerWaalsContact CG-O 3.28Å; E167-C191 WeakPolarHBondContact CG-O 3.47Å; E167-K193 IonicContact OE1-NZ 2.71Å; E167-K193 PolarHBondContact OE1-NZ 3.31Å
168	G	87.1	Confident	91.8	Very high	39 Å²	39	37.5 Å²	37.5	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.8	-175.5	0	0	0	0	0	116.6	F166 K194	F166-G168 PolarHBondContact O-N 3.18Å; G168-K194 WeakPolarHBondContact O-CD 3.5Å; G168-K194 WeakPolarHBondContact O-CE 3.31Å; G168-K194 PolarHBondContact O-NZ 3.09Å
169	T	93	Very high	91.5	Very high	24 Å²	24	38.6 Å²	38.6	15%	0.147	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-40.3	-166.7	65.7	0	0	0	0	114.2	E142 L144 F166	E142-T169 WeakPolarHBondContact O-CG2 3.14Å; L144-T169 CarbonylContact O-C 3.57Å; L144-T169 VanDerWaalsContact O-CB 3.23Å; L144-T169 WeakPolarHBondContact O-CB 3.39Å; L144-T169 PolarHBondContact O-OG1 2.94Å; L144-T169 VanDerWaalsContact O-OG1 3.13Å; F166-T169 PolarHBondContact O-N 3.32Å; F166-T169 VanDerWaalsContact O-N 3.1Å
170	L	94.2	Very high	91.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.216	C	C	.	.			trans	-75.7	131.8	-167	-163.1	70	0	0	0	112.8	L144 L147 F166 L173 L192 K194 L195	L144-L170 HydrophobicContact CD2-CD1 4.28Å; L144-L170 HydrophobicContact CG-CD1 4.31Å; L144-L170 WeakPolarHBondContact O-CA 3.41Å; L144-L170 PolarHBondContact O-N 3.1Å; L147-L170 HydrophobicContact CB-CD1 3.61Å; L147-L170 HydrophobicContact CB-CD2 4.42Å; F166-L170 HydrophobicContact CB-CB 3.91Å; F166-L170 PolarHBondContact O-N 3.31Å; L170-L173 HydrophobicContact CD2-CB 4.07Å; L170-L173 HydrophobicContact CD2-CD1 4.27Å; L170-L192 HydrophobicContact CD2-CD1 4.1Å; L170-K194 CarbonylContact O-C 3.52Å; L170-L195 HydrophobicContact CD2-CD1 4.17Å; L170-L195 HydrophobicContact CG-CD1 4.18Å; L170-L195 WeakPolarHBondContact O-CA 3.23Å; L170-L195 PolarHBondContact O-N 2.82Å
171	E	94.5	Very high	91.1	Very high	57 Å²	57	44.1 Å²	44.1	27%	0.266	22%	0.216	S	C	.	.			trans	-114.7	-32.5	179.6	-56.9	-163.7	156.7	0	0	113.1	R145 K196 F197	R145-E171 HydrophobicContact CB-CB 4.46Å; R145-E171 HydrophobicContact CB-CG 4.22Å; R145-E171 HydrophobicContact CG-CG 4.26Å; R145-E171 WeakPolarHBondContact O-CA 3.28Å; R145-E171 PolarHBondContact O-N 2.92Å; E171-K196 HydrophobicContact CB-CD 4.39Å; E171-K196 PolarHBondContact O-N 2.9Å; E171-K196 IonicContact OE1-NZ 3.21Å; E171-K196 PolarHBondContact OE1-NZ 3.4Å; E171-K196 IonicContact OE2-NZ 2.98Å; E171-K196 PolarHBondContact OE2-NZ 3.06Å; E171-F197 PolarHBondContact O-N 3.01Å; E171-F197 VanDerWaalsContact O-N 3.08Å
172	F	95.9	Very high	91	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.193	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.6	-179.8	-179.5	-82.4	0	0	0	110.6	R145 F146 L147 D174 F197 R199	R145-F172 PolarHBondContact O-N 2.92Å; F146-F172 HydrophobicContact CD2-CB 3.99Å; F146-F172 AromaticContact CD2-CD1 3.28Å; F146-F172 HydrophobicContact CD2-CD1 3.28Å; F146-F172 AromaticContact CD2-CE1 3.91Å; F146-F172 HydrophobicContact CD2-CE1 3.91Å; F146-F172 AromaticContact CD2-CG 3.76Å; F146-F172 HydrophobicContact CD2-CG 3.76Å; F146-F172 AromaticContact CE2-CD1 3.19Å; F146-F172 HydrophobicContact CE2-CD1 3.19Å; F146-F172 AromaticContact CE2-CE1 3.28Å; F146-F172 HydrophobicContact CE2-CE1 3.28Å; F146-F172 AromaticContact CE2-CG 3.95Å; F146-F172 HydrophobicContact CE2-CG 3.95Å; F146-F172 HydrophobicContact CE2-CZ 4.13Å; F146-F172 HydrophobicContact CG-CD1 4.13Å; F146-F172 AromaticContact CZ-CD1 3.98Å; F146-F172 HydrophobicContact CZ-CD1 3.98Å; F146-F172 AromaticContact CZ-CE1 3.8Å; F146-F172 HydrophobicContact CZ-CE1 3.8Å; L147-F172 PolarHBondContact N-O 3.2Å; F172-D174 HydrophobicContact CE1-CB 3.85Å; F172-D174 HydrophobicContact CZ-CB 4.34Å; F172-F197 WeakPolarHBondContact CA-O 3.13Å; F172-F197 HydrophobicContact CD2-CB 3.51Å; F172-F197 HydrophobicContact CD2-CD2 4.36Å; F172-F197 HydrophobicContact CD2-CG 4.23Å; F172-F197 HydrophobicContact CE2-CB 4.04Å; F172-F197 HydrophobicContact CG-CB 4.41Å; F172-R199 HydrophobicContact CZ-CB 4.46Å
173	L	95.4	Very high	90.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.4	176.1	-179.5	61.5	0	0	0	110.7	L147 L149 L170 L175 L189 L192 L195 F197 L198 R199	L147-L173 HydrophobicContact CB-CD1 4.16Å; L147-L173 HydrophobicContact CD2-CD1 4.04Å; L147-L173 HydrophobicContact CG-CD1 4.11Å; L147-L173 WeakPolarHBondContact O-CA 3.06Å; L149-L173 HydrophobicContact CD1-CD1 4.5Å; L170-L173 HydrophobicContact CD2-CB 4.07Å; L170-L173 HydrophobicContact CD2-CD1 4.27Å; L173-L175 HydrophobicContact CD1-CD2 4.17Å; L173-L175 HydrophobicContact CD1-CG 4.45Å; L173-L175 HydrophobicContact CD2-CD1 4.08Å; L173-L175 HydrophobicContact CD2-CD2 4.43Å; L173-L175 HydrophobicContact CD2-CG 4.17Å; L173-L175 HydrophobicContact CG-CD1 4.47Å; L173-L175 HydrophobicContact CG-CD2 4.28Å; L173-L175 HydrophobicContact CG-CG 4.03Å; L173-L189 HydrophobicContact CD2-CD1 3.98Å; L173-L189 HydrophobicContact CD2-CD2 3.75Å; L173-L192 HydrophobicContact CD2-CD1 4.49Å; L173-L195 HydrophobicContact CB-CD1 3.86Å; L173-F197 PolarHBondContact N-O 2.88Å; L173-L198 HydrophobicContact CB-CD1 4.17Å; L173-L198 HydrophobicContact CD2-CD1 4.07Å; L173-L198 HydrophobicContact CG-CD1 4.12Å; L173-L198 WeakPolarHBondContact O-CA 3.2Å; L173-R199 PolarHBondContact O-N 2.88Å
174	D	95	Very high	90.6	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.6	173.4	-168.6	-9.8	0	0	0	111	L147 L149 F172 S176 R199	L147-D174 PolarHBondContact O-N 3.5Å; L149-D174 CarbonylContact C-O 3.47Å; L149-D174 WeakPolarHBondContact CA-O 3.5Å; L149-D174 PolarHBondContact N-O 2.91Å; F172-D174 HydrophobicContact CE1-CB 3.85Å; F172-D174 HydrophobicContact CZ-CB 4.34Å; D174-S176 WeakPolarHBondContact OD1-CB 3.27Å; D174-S176 PolarHBondContact OD1-N 3.46Å; D174-S176 PolarHBondContact OD1-OG 3.19Å; D174-R199 HydrophobicContact CB-CB 4.24Å; D174-R199 WeakPolarHBondContact OD2-CD 3.4Å; D174-R199 IonicContact OD2-NH1 2.73Å
175	L	94	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.			trans	-115.3	16.5	177.1	-63	178.5	0	0	0	112.2	L149 M160 L173 C178 L186 L189 L198 R199 I200 M203	L149-L175 HydrophobicContact CB-CD2 4.14Å; L149-L175 HydrophobicContact CD1-CD2 4Å; M160-L175 HydrophobicContact CE-CD1 4.48Å; M160-L175 HydrophobicContact CE-CD2 3.91Å; M160-L175 HydrophobicContact SD-CD1 3.6Å; M160-L175 HydrophobicContact SD-CD2 4.11Å; L173-L175 HydrophobicContact CD1-CD2 4.17Å; L173-L175 HydrophobicContact CD1-CG 4.45Å; L173-L175 HydrophobicContact CD2-CD1 4.08Å; L173-L175 HydrophobicContact CD2-CD2 4.43Å; L173-L175 HydrophobicContact CD2-CG 4.17Å; L173-L175 HydrophobicContact CG-CD1 4.47Å; L173-L175 HydrophobicContact CG-CD2 4.28Å; L173-L175 HydrophobicContact CG-CG 4.03Å; L175-C178 VanDerWaalsContact O-CB 3.22Å; L175-C178 WeakPolarHBondContact O-CB 3.33Å; L175-C178 PolarHBondContact O-N 2.98Å; L175-C178 PolarHBondContact O-SG 2.84Å; L175-L186 HydrophobicContact CD1-CD2 3.78Å; L175-L189 HydrophobicContact CD1-CD1 3.88Å; L175-L198 HydrophobicContact CD1-CD1 4.16Å; L175-L198 HydrophobicContact CG-CD1 4.4Å; L175-R199 PolarHBondContact N-O 3.06Å; L175-I200 HydrophobicContact CB-CG2 4.33Å; L175-M203 HydrophobicContact CB-SD 4.46Å; L175-M203 VanDerWaalsContact O-SD 3.42Å
176	S	92.1	Very high	90.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	144.2	-177.7	-52.5	0	0	0	0	111.7	R150 G151 D174 C178 E201	R150-S176 CarbonylContact C-O 3.58Å; R150-S176 VanDerWaalsContact CA-O 3.29Å; R150-S176 WeakPolarHBondContact CA-O 3.31Å; G151-S176 PolarHBondContact N-O 3.25Å; D174-S176 WeakPolarHBondContact OD1-CB 3.27Å; D174-S176 PolarHBondContact OD1-N 3.46Å; D174-S176 PolarHBondContact OD1-OG 3.19Å; S176-C178 PolarHBondContact O-N 3.21Å; S176-C178 VanDerWaalsContact O-N 3.17Å; S176-E201 CarbonylContact C-O 3.44Å; S176-E201 WeakPolarHBondContact CA-O 3.3Å; S176-E201 WeakPolarHBondContact CB-O 3.31Å; S176-E201 PolarHBondContact OG-N 2.98Å; S176-E201 VanDerWaalsContact OG-N 3.15Å
177	D	90	Very high	90.6	Very high	68 Å²	68	37.9 Å²	37.9	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	16.9	-179.4	-55.5	-55.8	0	0	0	115.5	R150 K179 E201	R150-D177 IonicContact CZ-OD2 2.66Å; R150-D177 IonicContact NE-OD2 3.39Å; R150-D177 PolarHBondContact NE-OD2 2.55Å; R150-D177 IonicContact NH2-OD2 2.91Å; D177-K179 PolarHBondContact O-N 3.43Å; D177-E201 PolarHBondContact N-O 3.15Å
178	C	90.5	Very high	90.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.			trans	-86.6	84.3	178.6	-67.4	0	0	0	0	112.8	L149 L175 S176 K180 V181	L149-C178 PolarHBondContact O-SG 2.79Å; L175-C178 VanDerWaalsContact O-CB 3.22Å; L175-C178 WeakPolarHBondContact O-CB 3.33Å; L175-C178 PolarHBondContact O-N 2.98Å; L175-C178 PolarHBondContact O-SG 2.84Å; S176-C178 PolarHBondContact O-N 3.21Å; S176-C178 VanDerWaalsContact O-N 3.17Å; C178-K180 PolarHBondContact O-N 2.89Å; C178-V181 HydrophobicContact CB-CG2 3.99Å; C178-V181 PolarHBondContact O-N 3.16Å
179	K	84.1	Confident	91	Very high	166 Å²	166	34.7 Å²	34.7	72%	0.722	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.4	-173.1	-56.4	-166	175.8	-150.3	0	117	D177	D177-K179 PolarHBondContact O-N 3.43Å
180	K	85.8	Confident	91	Very high	115 Å²	115	36 Å²	36	50%	0.5	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-2	-175.7	-77.6	-174.8	-176.3	172.2	0	113.7	K153 I155 N156 C178	K153-K180 WeakPolarHBondContact O-CD 3.48Å; K153-K180 WeakPolarHBondContact O-CE 3.27Å; K153-K180 PolarHBondContact O-NZ 3.22Å; I155-K180 WeakPolarHBondContact O-CB 3.3Å; N156-K180 HydrophobicContact CB-CB 4.28Å; C178-K180 PolarHBondContact O-N 2.89Å
181	V	89.6	Confident	90.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	21%	0.206	C	C	.	.			trans	-89.6	122.8	175.1	179.8	0	0	0	0	108.4	I155 D157 M160 C178 L186 M203 V206	I155-V181 HydrophobicContact CG2-CG2 3.82Å; D157-V181 WeakPolarHBondContact OD1-CA 3.49Å; M160-V181 HydrophobicContact CE-CG2 4.48Å; M160-V181 HydrophobicContact CG-CG1 3.94Å; M160-V181 HydrophobicContact CG-CG2 4.47Å; M160-V181 HydrophobicContact SD-CG1 4.35Å; C178-V181 HydrophobicContact CB-CG2 3.99Å; C178-V181 PolarHBondContact O-N 3.16Å; V181-L186 HydrophobicContact CG1-CD2 4.1Å; V181-L186 HydrophobicContact CG1-CG 4.07Å; V181-M203 HydrophobicContact CB-CE 3.94Å; V181-M203 HydrophobicContact CG1-CE 4.23Å; V181-V206 WeakPolarHBondContact O-CG2 3.4Å
182	S	88.4	Confident	90.6	Very high	33 Å²	33	35.6 Å²	35.6	23%	0.231	19%	0.194	C	C	.	.			trans	-92.4	171.1	177	81.9	0	0	0	0	111.7	D157 D184 G185 L186	D157-S182 PolarHBondContact OD1-N 2.94Å; D157-S182 PolarHBondContact OD1-OG 3.04Å; D157-S182 VanDerWaalsContact OD2-CB 3.26Å; D157-S182 WeakPolarHBondContact OD2-CB 3.43Å; D157-S182 PolarHBondContact OD2-OG 2.91Å; S182-D184 PolarHBondContact O-N 3.17Å; S182-D184 PolarHBondContact OG-N 2.83Å; S182-G185 PolarHBondContact O-N 3.3Å; S182-G185 VanDerWaalsContact O-N 3.14Å; S182-G185 PolarHBondContact OG-N 3.35Å; S182-L186 PolarHBondContact O-N 3.47Å
183	A	86.6	Confident	90.3	Very high	10 Å²	10	39.7 Å²	39.7	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-31.7	171.2	0	0	0	0	0	113.2	S187 K207 N208 A212	A183-S187 PolarHBondContact O-N 3.5Å; A183-S187 PolarHBondContact O-OG 3.46Å; A183-K207 VanDerWaalsContact CB-O 3.27Å; A183-K207 WeakPolarHBondContact CB-O 3.41Å; A183-N208 HydrophobicContact CB-CB 4.1Å; A183-A212 HydrophobicContact CB-CB 3.87Å
184	D	86.8	Confident	90.1	Very high	129 Å²	129	45.1 Å²	45.1	69%	0.69	24%	0.235	S	C	*	.	H	α-helix	trans	-71.6	-39.5	176	-64.6	-24.7	0	0	0	110.6	S182 S187 A188	S182-D184 PolarHBondContact O-N 3.17Å; S182-D184 PolarHBondContact OG-N 2.83Å; D184-S187 WeakPolarHBondContact O-CB 3.45Å; D184-S187 PolarHBondContact O-N 2.85Å; D184-A188 PolarHBondContact O-N 3.17Å
185	G	89.6	Confident	90.1	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-44.9	171.9	0	0	0	0	0	112.4	D157 M160 S182 S187 A188	D157-G185 WeakPolarHBondContact OD1-CA 3.46Å; M160-G185 WeakPolarHBondContact CB-O 3.14Å; S182-G185 PolarHBondContact O-N 3.3Å; S182-G185 VanDerWaalsContact O-N 3.14Å; S182-G185 PolarHBondContact OG-N 3.35Å; G185-S187 VanDerWaalsContact C-N 3.29Å; G185-S187 PolarHBondContact O-N 3.1Å; G185-A188 VanDerWaalsContact O-CB 3.29Å; G185-A188 WeakPolarHBondContact O-CB 3.49Å; G185-A188 PolarHBondContact O-N 3.01Å; G185-A188 VanDerWaalsContact O-N 3.16Å
186	L	91.9	Very high	90	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-39.5	174.3	-71.5	176.1	0	0	0	111.7	L175 V181 S182 A188 L189 I200 I209 A212 L216	L175-L186 HydrophobicContact CD1-CD2 3.78Å; V181-L186 HydrophobicContact CG1-CD2 4.1Å; V181-L186 HydrophobicContact CG1-CG 4.07Å; S182-L186 PolarHBondContact O-N 3.47Å; L186-A188 PolarHBondContact O-N 3.42Å; L186-A188 VanDerWaalsContact O-N 3.16Å; L186-L189 HydrophobicContact CD2-CD1 3.92Å; L186-L189 VanDerWaalsContact O-CB 3.23Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 WeakPolarHBondContact O-CG 3.35Å; L186-L189 PolarHBondContact O-N 2.9Å; L186-I200 HydrophobicContact CD2-CG2 4.37Å; L186-I209 HydrophobicContact CD1-CD1 4.12Å; L186-I209 HydrophobicContact CD1-CG1 3.83Å; L186-A212 HydrophobicContact CB-CB 4.31Å; L186-L216 HydrophobicContact CB-CD1 4.21Å; L186-L216 WeakPolarHBondContact O-CD1 3.34Å; L186-L216 WeakPolarHBondContact O-CD2 3.37Å
187	S	90.5	Very high	90.1	Very high	35 Å²	35	52.8 Å²	52.8	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-26.1	178.2	-58.4	0	0	0	0	113	A183 D184 G185 L189 S190	A183-S187 PolarHBondContact O-N 3.5Å; A183-S187 PolarHBondContact O-OG 3.46Å; D184-S187 WeakPolarHBondContact O-CB 3.45Å; D184-S187 PolarHBondContact O-N 2.85Å; G185-S187 VanDerWaalsContact C-N 3.29Å; G185-S187 PolarHBondContact O-N 3.1Å; S187-L189 PolarHBondContact O-N 3.4Å; S187-S190 VanDerWaalsContact O-CB 3.31Å; S187-S190 WeakPolarHBondContact O-CB 3.32Å; S187-S190 PolarHBondContact O-N 3.46Å; S187-S190 PolarHBondContact O-OG 2.96Å
188	A	91.4	Very high	90.4	Very high	33 Å²	33	49.6 Å²	49.6	27%	0.273	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.5	174.7	0	0	0	0	0	113.4	M160 D184 G185 L186 S190 C191	M160-A188 HydrophobicContact CB-CB 4.27Å; D184-A188 PolarHBondContact O-N 3.17Å; G185-A188 VanDerWaalsContact O-CB 3.29Å; G185-A188 WeakPolarHBondContact O-CB 3.49Å; G185-A188 PolarHBondContact O-N 3.01Å; G185-A188 VanDerWaalsContact O-N 3.16Å; L186-A188 PolarHBondContact O-N 3.42Å; L186-A188 VanDerWaalsContact O-N 3.16Å; A188-S190 PolarHBondContact O-N 3.32Å; A188-S190 VanDerWaalsContact O-N 3.16Å; A188-C191 PolarHBondContact O-N 2.98Å
189	L	92.2	Very high	90.5	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.2	-9.4	176.4	-58.2	174.4	0	0	0	113.2	M160 M163 L173 L175 L186 S187 C191 L192 L198 L216	M160-L189 HydrophobicContact SD-CD2 3.98Å; M160-L189 HydrophobicContact SD-CG 4.45Å; M163-L189 HydrophobicContact CB-CD2 4.12Å; M163-L189 HydrophobicContact CG-CD2 4Å; L173-L189 HydrophobicContact CD2-CD1 3.98Å; L173-L189 HydrophobicContact CD2-CD2 3.75Å; L175-L189 HydrophobicContact CD1-CD1 3.88Å; L186-L189 HydrophobicContact CD2-CD1 3.92Å; L186-L189 VanDerWaalsContact O-CB 3.23Å; L186-L189 WeakPolarHBondContact O-CB 3.34Å; L186-L189 WeakPolarHBondContact O-CG 3.35Å; L186-L189 PolarHBondContact O-N 2.9Å; S187-L189 PolarHBondContact O-N 3.4Å; L189-C191 PolarHBondContact O-N 3.3Å; L189-L192 HydrophobicContact CB-CD1 4.44Å; L189-L192 HydrophobicContact CD2-CD1 3.9Å; L189-L192 WeakPolarHBondContact O-CB 3.29Å; L189-L192 PolarHBondContact O-N 2.82Å; L189-L198 HydrophobicContact CD1-CD1 4.12Å; L189-L198 HydrophobicContact CD1-CD2 4.15Å; L189-L216 HydrophobicContact CB-CD2 4.12Å
190	S	91.6	Very high	90.9	Very high	51 Å²	51	45.2 Å²	45.2	36%	0.357	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-55.9	-20.8	172.7	56.2	0	0	0	0	113.6	S187 A188 L192	S187-S190 VanDerWaalsContact O-CB 3.31Å; S187-S190 WeakPolarHBondContact O-CB 3.32Å; S187-S190 PolarHBondContact O-N 3.46Å; S187-S190 PolarHBondContact O-OG 2.96Å; A188-S190 PolarHBondContact O-N 3.32Å; A188-S190 VanDerWaalsContact O-N 3.16Å; S190-L192 VanDerWaalsContact C-N 3.26Å; S190-L192 PolarHBondContact O-N 3.18Å
191	C	90.3	Very high	91	Very high	48 Å²	48	42.5 Å²	42.5	32%	0.324	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68.2	-21.7	174.3	-59.7	0	0	0	0	113.3	E167 A188 L189 K193	E167-C191 VanDerWaalsContact CG-O 3.28Å; E167-C191 WeakPolarHBondContact CG-O 3.47Å; A188-C191 PolarHBondContact O-N 2.98Å; L189-C191 PolarHBondContact O-N 3.3Å; C191-K193 PolarHBondContact O-N 3.25Å
192	L	92	Very high	90.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.238	C	C	.	.			trans	-84.3	76.8	-172.4	-62.6	175.8	0	0	0	112.5	M163 F166 L170 L173 L189 S190 K194 L195 I220	M163-L192 HydrophobicContact CB-CD1 4.37Å; M163-L192 VanDerWaalsContact O-CD2 3.3Å; M163-L192 WeakPolarHBondContact O-CD2 3.37Å; F166-L192 HydrophobicContact CB-CD2 4.11Å; L170-L192 HydrophobicContact CD2-CD1 4.1Å; L173-L192 HydrophobicContact CD2-CD1 4.49Å; L189-L192 HydrophobicContact CB-CD1 4.44Å; L189-L192 HydrophobicContact CD2-CD1 3.9Å; L189-L192 WeakPolarHBondContact O-CB 3.29Å; L189-L192 PolarHBondContact O-N 2.82Å; S190-L192 VanDerWaalsContact C-N 3.26Å; S190-L192 PolarHBondContact O-N 3.18Å; L192-K194 PolarHBondContact O-N 3.4Å; L192-L195 HydrophobicContact CB-CB 4.01Å; L192-L195 HydrophobicContact CD1-CD1 4.48Å; L192-L195 HydrophobicContact CD1-CD2 4.24Å; L192-L195 WeakPolarHBondContact O-CB 3.3Å; L192-L195 PolarHBondContact O-N 3.07Å; L192-L195 VanDerWaalsContact O-N 3.11Å; L192-I220 WeakPolarHBondContact O-CD1 3.48Å
193	K	89.2	Confident	90.3	Very high	131 Å²	131	43 Å²	43	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.7	-174.6	-64	175.3	-172.4	139.1	0	115.3	E167 C191 Q222	E167-K193 IonicContact OE1-NZ 2.71Å; E167-K193 PolarHBondContact OE1-NZ 3.31Å; C191-K193 PolarHBondContact O-N 3.25Å; K193-Q222 PolarHBondContact O-NE2 3.27Å
194	K	91.5	Very high	89.8	Confident	114 Å²	114	47.3 Å²	47.3	50%	0.496	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-1.4	176.7	-69.2	-160.5	-172	167.2	0	114.5	G168 L170 L192 K196	G168-K194 WeakPolarHBondContact O-CD 3.5Å; G168-K194 WeakPolarHBondContact O-CE 3.31Å; G168-K194 PolarHBondContact O-NZ 3.09Å; L170-K194 CarbonylContact O-C 3.52Å; L192-K194 PolarHBondContact O-N 3.4Å; K194-K196 PolarHBondContact O-N 3.08Å
195	L	93.9	Very high	89.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.248	C	C	.	.			trans	-66.2	127.5	-177.3	-162.8	70.6	0	0	0	110.7	L170 L173 L192 L198 L223	L170-L195 HydrophobicContact CD2-CD1 4.17Å; L170-L195 HydrophobicContact CG-CD1 4.18Å; L170-L195 WeakPolarHBondContact O-CA 3.23Å; L170-L195 PolarHBondContact O-N 2.82Å; L173-L195 HydrophobicContact CB-CD1 3.86Å; L192-L195 HydrophobicContact CB-CB 4.01Å; L192-L195 HydrophobicContact CD1-CD1 4.48Å; L192-L195 HydrophobicContact CD1-CD2 4.24Å; L192-L195 WeakPolarHBondContact O-CB 3.3Å; L192-L195 PolarHBondContact O-N 3.07Å; L192-L195 VanDerWaalsContact O-N 3.11Å; L195-L198 HydrophobicContact CD2-CB 4.34Å; L195-L223 HydrophobicContact CB-CD1 4.2Å; L195-L223 HydrophobicContact CD2-CD1 3.66Å; L195-L223 HydrophobicContact CG-CD1 3.71Å
196	K	92.7	Very high	88.6	Confident	83 Å²	83	47.8 Å²	47.8	36%	0.361	25%	0.253	S	S	.	.			trans	-107.4	-35.3	179.7	-62.4	175.6	-170.4	159.1	0	111.8	E171 K194 L223 K224	E171-K196 HydrophobicContact CB-CD 4.39Å; E171-K196 PolarHBondContact O-N 2.9Å; E171-K196 IonicContact OE1-NZ 3.21Å; E171-K196 PolarHBondContact OE1-NZ 3.4Å; E171-K196 IonicContact OE2-NZ 2.98Å; E171-K196 PolarHBondContact OE2-NZ 3.06Å; K194-K196 PolarHBondContact O-N 3.08Å; K196-L223 CarbonylContact O-C 3.47Å; K196-K224 PolarHBondContact O-N 2.82Å
197	F	94.5	Very high	87.9	Confident	84 Å²	84	51 Å²	51	37%	0.368	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.3	-176	-59.9	-75.6	0	0	0	110.5	E171 F172 L173 K224 I226	E171-F197 PolarHBondContact O-N 3.01Å; E171-F197 VanDerWaalsContact O-N 3.08Å; F172-F197 WeakPolarHBondContact CA-O 3.13Å; F172-F197 HydrophobicContact CD2-CB 3.51Å; F172-F197 HydrophobicContact CD2-CD2 4.36Å; F172-F197 HydrophobicContact CD2-CG 4.23Å; F172-F197 HydrophobicContact CE2-CB 4.04Å; F172-F197 HydrophobicContact CG-CB 4.41Å; L173-F197 PolarHBondContact N-O 2.88Å; F197-K224 WeakPolarHBondContact CA-O 3.41Å; F197-K224 HydrophobicContact CD1-CB 4.14Å; F197-K224 HydrophobicContact CE1-CB 4.43Å; F197-K224 HydrophobicContact CE1-CD 4.21Å; F197-I226 HydrophobicContact CD1-CD1 3.94Å
198	L	94.4	Very high	87.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	171.6	173.8	63.4	0	0	0	108.4	L173 L175 L189 L195 I200 L216 L223 K224 V225 I226	L173-L198 HydrophobicContact CB-CD1 4.17Å; L173-L198 HydrophobicContact CD2-CD1 4.07Å; L173-L198 HydrophobicContact CG-CD1 4.12Å; L173-L198 WeakPolarHBondContact O-CA 3.2Å; L175-L198 HydrophobicContact CD1-CD1 4.16Å; L175-L198 HydrophobicContact CG-CD1 4.4Å; L189-L198 HydrophobicContact CD1-CD1 4.12Å; L189-L198 HydrophobicContact CD1-CD2 4.15Å; L195-L198 HydrophobicContact CD2-CB 4.34Å; L198-I200 HydrophobicContact CD1-CG2 4.31Å; L198-I200 HydrophobicContact CD2-CG2 4.45Å; L198-I200 HydrophobicContact CG-CG2 4.13Å; L198-L216 HydrophobicContact CD2-CD1 4.01Å; L198-L223 HydrophobicContact CB-CD1 3.89Å; L198-K224 PolarHBondContact N-O 2.73Å; L198-V225 HydrophobicContact CD2-CG2 4.42Å; L198-V225 CarbonylContact O-C 3.58Å; L198-V225 WeakPolarHBondContact O-CA 3.29Å; L198-I226 PolarHBondContact O-N 3.1Å
199	R	93.9	Very high	87.1	Confident	72 Å²	72	51.7 Å²	51.7	27%	0.272	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.5	177.2	-163.9	-176.8	-171.8	-178.5	-4	110.7	F172 L173 D174 L175 E201 I226	F172-R199 HydrophobicContact CZ-CB 4.46Å; L173-R199 PolarHBondContact O-N 2.88Å; D174-R199 HydrophobicContact CB-CB 4.24Å; D174-R199 WeakPolarHBondContact OD2-CD 3.4Å; D174-R199 IonicContact OD2-NH1 2.73Å; L175-R199 PolarHBondContact N-O 3.06Å; R199-E201 HydrophobicContact CG-CG 4.32Å; R199-E201 IonicContact CZ-OE1 2.88Å; R199-E201 IonicContact CZ-OE2 2.79Å; R199-E201 IonicContact NE-OE1 3.62Å; R199-E201 PolarHBondContact NE-OE1 2.69Å; R199-E201 IonicContact NE-OE2 3.01Å; R199-E201 PolarHBondContact NE-OE2 3.3Å; R199-E201 IonicContact NH2-OE1 2.62Å; R199-E201 PolarHBondContact NH2-OE1 3.4Å; R199-E201 IonicContact NH2-OE2 3.05Å; R199-E201 PolarHBondContact NH2-OE2 3.36Å; R199-I226 WeakPolarHBondContact CA-O 3.31Å; R199-I226 HydrophobicContact CG-CB 4.4Å; R199-I226 HydrophobicContact CG-CG2 4.48Å
200	I	91.3	Very high	86.8	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.263	C	S	.	.			trans	-136.6	60.8	-177.7	50.6	166.5	0	0	0	110.9	L175 L186 L198 M203 I209 A213 V225 I226 L228	L175-I200 HydrophobicContact CB-CG2 4.33Å; L186-I200 HydrophobicContact CD2-CG2 4.37Å; L198-I200 HydrophobicContact CD1-CG2 4.31Å; L198-I200 HydrophobicContact CD2-CG2 4.45Å; L198-I200 HydrophobicContact CG-CG2 4.13Å; I200-M203 HydrophobicContact CB-SD 4Å; I200-M203 HydrophobicContact CG2-SD 3.86Å; I200-I209 HydrophobicContact CD1-CD1 4.06Å; I200-I209 HydrophobicContact CD1-CG1 4.13Å; I200-A213 HydrophobicContact CD1-CB 4.5Å; I200-V225 HydrophobicContact CD1-CG1 3.42Å; I200-V225 VanDerWaalsContact CD1-CG1 3.42Å; I200-V225 HydrophobicContact CG1-CG1 3.56Å; I200-I226 PolarHBondContact N-O 2.85Å; I200-L228 HydrophobicContact CD1-CB 3.87Å; I200-L228 HydrophobicContact CD1-CD1 4.33Å; I200-L228 HydrophobicContact CD1-CD2 4.06Å; I200-L228 HydrophobicContact CD1-CG 4.31Å; I200-L228 HydrophobicContact CG1-CB 4.15Å
201	E	88.6	Confident	86.6	Confident	59 Å²	59	50.7 Å²	50.7	28%	0.276	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	143.3	173.8	-67.9	173	-170	0	0	111	S176 D177 R199 M203 G227	S176-E201 CarbonylContact C-O 3.44Å; S176-E201 WeakPolarHBondContact CA-O 3.3Å; S176-E201 WeakPolarHBondContact CB-O 3.31Å; S176-E201 PolarHBondContact OG-N 2.98Å; S176-E201 VanDerWaalsContact OG-N 3.15Å; D177-E201 PolarHBondContact N-O 3.15Å; R199-E201 HydrophobicContact CG-CG 4.32Å; R199-E201 IonicContact CZ-OE1 2.88Å; R199-E201 IonicContact CZ-OE2 2.79Å; R199-E201 IonicContact NE-OE1 3.62Å; R199-E201 PolarHBondContact NE-OE1 2.69Å; R199-E201 IonicContact NE-OE2 3.01Å; R199-E201 PolarHBondContact NE-OE2 3.3Å; R199-E201 IonicContact NH2-OE1 2.62Å; R199-E201 PolarHBondContact NH2-OE1 3.4Å; R199-E201 IonicContact NH2-OE2 3.05Å; R199-E201 PolarHBondContact NH2-OE2 3.36Å; E201-M203 PolarHBondContact O-N 3.2Å; E201-G227 VanDerWaalsContact CG-CA 3.49Å
202	G	82	Confident	86.5	Confident	38 Å²	38	48.5 Å²	48.5	39%	0.392	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	24.4	173	0	0	0	0	0	114.9
203	M	82.4	Confident	86.4	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.03	24%	0.24	C	C	.	.			trans	-105.9	28	177.5	-65.9	-173.4	67.2	0	0	113	L175 V181 I200 E201 D205 V206 I209	L175-M203 HydrophobicContact CB-SD 4.46Å; L175-M203 VanDerWaalsContact O-SD 3.42Å; V181-M203 HydrophobicContact CB-CE 3.94Å; V181-M203 HydrophobicContact CG1-CE 4.23Å; I200-M203 HydrophobicContact CB-SD 4Å; I200-M203 HydrophobicContact CG2-SD 3.86Å; E201-M203 PolarHBondContact O-N 3.2Å; M203-D205 PolarHBondContact O-N 3.25Å; M203-V206 HydrophobicContact CB-CG2 4.31Å; M203-V206 HydrophobicContact CE-CG2 4Å; M203-V206 WeakPolarHBondContact O-CB 3.5Å; M203-V206 PolarHBondContact O-N 3.25Å; M203-V206 VanDerWaalsContact O-N 3.14Å; M203-I209 HydrophobicContact CB-CD1 3.45Å; M203-I209 VanDerWaalsContact CB-CD1 3.45Å; M203-I209 HydrophobicContact CE-CD1 4.28Å; M203-I209 HydrophobicContact SD-CD1 4.4Å
204	D	75	Confident	86.4	Confident	102 Å²	102	45.5 Å²	45.5	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24	-174.4	-53.6	-32	0	0	0	113.2	V206	D204-V206 PolarHBondContact O-N 3.29Å
205	D	73.3	Confident	86.3	Confident	120 Å²	120	47 Å²	47	64%	0.642	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.3	177.5	-62.9	-26.1	0	0	0	113	M203 K207	M203-D205 PolarHBondContact O-N 3.25Å; D205-K207 PolarHBondContact O-N 2.83Å
206	V	77.4	Confident	86.2	Confident	20 Å²	20	47.1 Å²	47.1	12%	0.121	23%	0.233	C	C	.	.	S	Bend	trans	-82.5	116.2	-172.3	-177.2	0	0	0	0	110.5	V181 M203 D204 N208 I209	V181-V206 WeakPolarHBondContact O-CG2 3.4Å; M203-V206 HydrophobicContact CB-CG2 4.31Å; M203-V206 HydrophobicContact CE-CG2 4Å; M203-V206 WeakPolarHBondContact O-CB 3.5Å; M203-V206 PolarHBondContact O-N 3.25Å; M203-V206 VanDerWaalsContact O-N 3.14Å; D204-V206 PolarHBondContact O-N 3.29Å; V206-N208 PolarHBondContact O-N 2.93Å; V206-I209 HydrophobicContact CB-CB 4.38Å; V206-I209 HydrophobicContact CB-CD1 4.36Å; V206-I209 HydrophobicContact CG1-CB 4.49Å; V206-I209 PolarHBondContact O-N 3.12Å
207	K	77.2	Confident	86.1	Confident	69 Å²	69	45.9 Å²	45.9	30%	0.3	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138	176.6	-60.8	-178.3	178.9	176.2	0	111.1	A183 D205 I209	A183-K207 VanDerWaalsContact CB-O 3.27Å; A183-K207 WeakPolarHBondContact CB-O 3.41Å; D205-K207 PolarHBondContact O-N 2.83Å; K207-I209 VanDerWaalsContact C-N 3.25Å; K207-I209 PolarHBondContact O-N 3.5Å
208	N	80	Confident	85.9	Confident	75 Å²	75	48.5 Å²	48.5	40%	0.401	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	20.1	175	-50.5	-36.9	0	0	0	115.7	A183 V206 A210 V211 A212 W237	A183-N208 HydrophobicContact CB-CB 4.1Å; V206-N208 PolarHBondContact O-N 2.93Å; N208-A210 VanDerWaalsContact C-N 3.31Å; N208-A210 PolarHBondContact O-N 2.86Å; N208-V211 PolarHBondContact O-N 3.18Å; N208-A212 PolarHBondContact O-N 3.07Å; N208-A212 VanDerWaalsContact O-N 3.07Å; N208-W237 PolarHBondContact OD1-NE1 2.95Å
209	I	86.4	Confident	85.8	Confident	7 Å²	7	52 Å²	52	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-39	-177.8	-169.3	163	0	0	0	113.1	L186 I200 M203 V206 K207 V211 A212 A213 L228 A233	L186-I209 HydrophobicContact CD1-CD1 4.12Å; L186-I209 HydrophobicContact CD1-CG1 3.83Å; I200-I209 HydrophobicContact CD1-CD1 4.06Å; I200-I209 HydrophobicContact CD1-CG1 4.13Å; M203-I209 HydrophobicContact CB-CD1 3.45Å; M203-I209 VanDerWaalsContact CB-CD1 3.45Å; M203-I209 HydrophobicContact CE-CD1 4.28Å; M203-I209 HydrophobicContact SD-CD1 4.4Å; V206-I209 HydrophobicContact CB-CB 4.38Å; V206-I209 HydrophobicContact CB-CD1 4.36Å; V206-I209 HydrophobicContact CG1-CB 4.49Å; V206-I209 PolarHBondContact O-N 3.12Å; K207-I209 VanDerWaalsContact C-N 3.25Å; K207-I209 PolarHBondContact O-N 3.5Å; I209-V211 PolarHBondContact O-N 3.37Å; I209-A212 PolarHBondContact O-N 3.31Å; I209-A213 WeakPolarHBondContact O-CB 3.47Å; I209-A213 PolarHBondContact O-N 3.29Å; I209-L228 HydrophobicContact CD1-CD1 4.36Å; I209-L228 HydrophobicContact CG1-CD1 4.27Å; I209-L228 HydrophobicContact CG2-CD1 3.8Å; I209-A233 HydrophobicContact CG2-CB 4.36Å
210	A	85.1	Confident	85.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-43.9	176.1	0	0	0	0	0	112.9	N208 A212 A213 L214 L228 Y230 A233 L234	N208-A210 VanDerWaalsContact C-N 3.31Å; N208-A210 PolarHBondContact O-N 2.86Å; A210-A212 VanDerWaalsContact C-N 3.34Å; A210-A212 PolarHBondContact O-N 3.33Å; A210-A213 PolarHBondContact O-N 3.2Å; A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.37Å; A210-L214 PolarHBondContact O-N 3.27Å; A210-L228 HydrophobicContact CB-CD2 4.44Å; A210-Y230 HydrophobicContact CB-CD1 4.41Å; A210-A233 HydrophobicContact CB-CB 3.72Å; A210-L234 HydrophobicContact CB-CD2 4.12Å; A210-L234 HydrophobicContact CB-CG 4.18Å
211	V	86.6	Confident	85.4	Confident	30 Å²	30	54.1 Å²	54.1	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-39.3	179.2	-178.4	0	0	0	0	110.6	N208 I209 R215 W237	N208-V211 PolarHBondContact O-N 3.18Å; I209-V211 PolarHBondContact O-N 3.37Å; V211-R215 WeakPolarHBondContact O-CB 3.35Å; V211-R215 VanDerWaalsContact O-CG 3.27Å; V211-R215 WeakPolarHBondContact O-CG 3.19Å; V211-R215 PolarHBondContact O-N 3.35Å; V211-W237 HydrophobicContact CG2-CD2 4.4Å; V211-W237 HydrophobicContact CG2-CG 4.43Å
212	A	88.7	Confident	85.4	Confident	2 Å²	2	55.5 Å²	55.5	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-43.7	175.1	0	0	0	0	0	111.9	A183 L186 N208 I209 A210 R215 L216	A183-A212 HydrophobicContact CB-CB 3.87Å; L186-A212 HydrophobicContact CB-CB 4.31Å; N208-A212 PolarHBondContact O-N 3.07Å; N208-A212 VanDerWaalsContact O-N 3.07Å; I209-A212 PolarHBondContact O-N 3.31Å; A210-A212 VanDerWaalsContact C-N 3.34Å; A210-A212 PolarHBondContact O-N 3.33Å; A212-R215 PolarHBondContact O-N 3.3Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.86Å
213	A	89.9	Confident	85.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-47.3	176.5	0	0	0	0	0	111.9	I200 I209 A210 R215 L216 E217 V225 L228 Y230	I200-A213 HydrophobicContact CD1-CB 4.5Å; I209-A213 WeakPolarHBondContact O-CB 3.47Å; I209-A213 PolarHBondContact O-N 3.29Å; A210-A213 PolarHBondContact O-N 3.2Å; A213-R215 PolarHBondContact O-N 3.27Å; A213-L216 WeakPolarHBondContact O-CB 3.32Å; A213-L216 PolarHBondContact O-N 3.07Å; A213-L216 VanDerWaalsContact O-N 3.12Å; A213-E217 WeakPolarHBondContact O-CG 3.14Å; A213-E217 PolarHBondContact O-N 3.06Å; A213-V225 HydrophobicContact CB-CG1 4.28Å; A213-V225 HydrophobicContact CB-CG2 4.33Å; A213-L228 HydrophobicContact CB-CD2 3.82Å; A213-Y230 HydrophobicContact CB-CE1 4.03Å
214	L	88.9	Confident	86.2	Confident	68 Å²	68	60.3 Å²	60.3	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.9	-72.6	170.3	0	0	0	112	A210 L216 E217 D218 Y230	A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 VanDerWaalsContact O-CG 3.31Å; A210-L214 WeakPolarHBondContact O-CG 3.37Å; A210-L214 PolarHBondContact O-N 3.27Å; L214-L216 VanDerWaalsContact C-N 3.27Å; L214-L216 PolarHBondContact O-N 3.32Å; L214-E217 PolarHBondContact O-N 3.42Å; L214-D218 PolarHBondContact O-N 3.35Å; L214-Y230 HydrophobicContact CD2-CD1 4.46Å; L214-Y230 HydrophobicContact CD2-CE1 4.03Å; L214-Y230 HydrophobicContact CG-CD1 4.42Å; L214-Y230 HydrophobicContact CG-CE1 4.01Å
215	R	90	Very high	87	Confident	147 Å²	147	56.3 Å²	56.3	56%	0.555	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-33.8	175.8	-75.6	175.2	-176.9	157.4	2.5	112.9	V211 A212 A213 S219	V211-R215 WeakPolarHBondContact O-CB 3.35Å; V211-R215 VanDerWaalsContact O-CG 3.27Å; V211-R215 WeakPolarHBondContact O-CG 3.19Å; V211-R215 PolarHBondContact O-N 3.35Å; A212-R215 PolarHBondContact O-N 3.3Å; A213-R215 PolarHBondContact O-N 3.27Å; R215-S219 WeakPolarHBondContact O-CB 3.5Å; R215-S219 PolarHBondContact O-N 3.19Å; R215-S219 PolarHBondContact O-OG 2.95Å
216	L	91.7	Very high	87.8	Confident	3 Å²	3	54 Å²	54	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-42.7	175.9	-74.6	171.8	0	0	0	111.5	L186 L189 L198 A212 A213 L214 D218 S219 I220 L223	L186-L216 HydrophobicContact CB-CD1 4.21Å; L186-L216 WeakPolarHBondContact O-CD1 3.34Å; L186-L216 WeakPolarHBondContact O-CD2 3.37Å; L189-L216 HydrophobicContact CB-CD2 4.12Å; L198-L216 HydrophobicContact CD2-CD1 4.01Å; A212-L216 WeakPolarHBondContact O-CG 3.4Å; A212-L216 PolarHBondContact O-N 2.86Å; A213-L216 WeakPolarHBondContact O-CB 3.32Å; A213-L216 PolarHBondContact O-N 3.07Å; A213-L216 VanDerWaalsContact O-N 3.12Å; L214-L216 VanDerWaalsContact C-N 3.27Å; L214-L216 PolarHBondContact O-N 3.32Å; L216-D218 VanDerWaalsContact C-N 3.31Å; L216-D218 PolarHBondContact O-N 3.16Å; L216-S219 PolarHBondContact O-N 3.45Å; L216-I220 PolarHBondContact O-N 2.65Å; L216-L223 HydrophobicContact CB-CD2 3.89Å
217	E	90.8	Very high	88	Confident	57 Å²	57	54.8 Å²	54.8	27%	0.266	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-39.7	173.4	-69.1	-176.6	170.4	0	0	111.3	A213 L214 S219 I220 V225 Y230	A213-E217 WeakPolarHBondContact O-CG 3.14Å; A213-E217 PolarHBondContact O-N 3.06Å; L214-E217 PolarHBondContact O-N 3.42Å; E217-S219 VanDerWaalsContact C-N 3.35Å; E217-S219 PolarHBondContact O-N 2.66Å; E217-I220 CarbonylContact O-C 3.56Å; E217-I220 VanDerWaalsContact O-O 3.14Å; E217-V225 HydrophobicContact CG-CG2 3.84Å; E217-V225 WeakPolarHBondContact OE1-CB 3.4Å; E217-V225 WeakPolarHBondContact OE1-CG2 3.44Å; E217-V225 PolarHBondContact OE1-N 2.92Å; E217-Y230 PolarHBondContact OE1-OH 3.17Å; E217-Y230 PolarHBondContact OE2-OH 3.16Å
218	D	91.4	Very high	88.4	Confident	138 Å²	138	52.5 Å²	52.5	74%	0.738	28%	0.281	S	S	*	.	H	α-helix	trans	-64.8	-37.1	173.8	-75.7	-18.3	0	0	0	112.5	L214 L216	L214-D218 PolarHBondContact O-N 3.35Å; L216-D218 VanDerWaalsContact C-N 3.31Å; L216-D218 PolarHBondContact O-N 3.16Å
219	S	91.3	Very high	88.6	Confident	74 Å²	74	53.3 Å²	53.3	52%	0.517	29%	0.285	S	S	.	.	H	α-helix	trans	-77.9	-32.8	-178.9	-59.6	0	0	0	0	112.7	R215 L216 E217	R215-S219 WeakPolarHBondContact O-CB 3.5Å; R215-S219 PolarHBondContact O-N 3.19Å; R215-S219 PolarHBondContact O-OG 2.95Å; L216-S219 PolarHBondContact O-N 3.45Å; E217-S219 VanDerWaalsContact C-N 3.35Å; E217-S219 PolarHBondContact O-N 2.66Å
220	I	90.9	Very high	88.5	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	-126.2	91.5	-176.9	-55.4	166.7	0	0	0	108	L192 L216 E217 Q222 L223	L192-I220 WeakPolarHBondContact O-CD1 3.48Å; L216-I220 PolarHBondContact O-N 2.65Å; E217-I220 CarbonylContact O-C 3.56Å; E217-I220 VanDerWaalsContact O-O 3.14Å; I220-Q222 HydrophobicContact CG2-CG 4.14Å; I220-Q222 PolarHBondContact O-N 3.16Å; I220-L223 HydrophobicContact CB-CB 3.92Å; I220-L223 HydrophobicContact CB-CD2 4.49Å; I220-L223 HydrophobicContact CD1-CD2 4.41Å; I220-L223 HydrophobicContact CG2-CB 3.86Å; I220-L223 WeakPolarHBondContact O-CB 3.48Å; I220-L223 PolarHBondContact O-N 2.97Å
221	P	85.1	Confident	88.4	Confident	115 Å²	115	60.8 Å²	60.8	75%	0.747	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.2	-167.8	23.1	-33.3	0	0	0	114.9
222	Q	89	Confident	88.1	Confident	89 Å²	89	63.1 Å²	63.1	42%	0.416	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.1	175.1	66.2	-85	8.2	0	0	114.4	K193 I220	K193-Q222 PolarHBondContact O-NE2 3.27Å; I220-Q222 HydrophobicContact CG2-CG 4.14Å; I220-Q222 PolarHBondContact O-N 3.16Å
223	L	92.2	Very high	87.7	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	34%	0.338	C	S	.	.			trans	-74.4	133.7	-177.8	-177.5	63	0	0	0	110.6	L195 K196 L198 L216 I220 V225	L195-L223 HydrophobicContact CB-CD1 4.2Å; L195-L223 HydrophobicContact CD2-CD1 3.66Å; L195-L223 HydrophobicContact CG-CD1 3.71Å; K196-L223 CarbonylContact O-C 3.47Å; L198-L223 HydrophobicContact CB-CD1 3.89Å; L216-L223 HydrophobicContact CB-CD2 3.89Å; I220-L223 HydrophobicContact CB-CB 3.92Å; I220-L223 HydrophobicContact CB-CD2 4.49Å; I220-L223 HydrophobicContact CD1-CD2 4.41Å; I220-L223 HydrophobicContact CG2-CB 3.86Å; I220-L223 WeakPolarHBondContact O-CB 3.48Å; I220-L223 PolarHBondContact O-N 2.97Å; L223-V225 HydrophobicContact CD2-CG2 4.41Å; L223-V225 HydrophobicContact CG-CG2 4.45Å
224	K	90.1	Very high	87.4	Confident	135 Å²	135	66.8 Å²	66.8	59%	0.587	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	168.6	-67.1	-177.5	179.2	179.5	0	109.5	K196 F197 L198	K196-K224 PolarHBondContact O-N 2.82Å; F197-K224 WeakPolarHBondContact CA-O 3.41Å; F197-K224 HydrophobicContact CD1-CB 4.14Å; F197-K224 HydrophobicContact CE1-CB 4.43Å; F197-K224 HydrophobicContact CE1-CD 4.21Å; L198-K224 PolarHBondContact N-O 2.73Å
225	V	90.9	Very high	87.1	Confident	19 Å²	19	67.7 Å²	67.7	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.1	174.3	-176.6	0	0	0	0	109.3	L198 I200 A213 E217 L223 L228	L198-V225 HydrophobicContact CD2-CG2 4.42Å; L198-V225 CarbonylContact O-C 3.58Å; L198-V225 WeakPolarHBondContact O-CA 3.29Å; I200-V225 HydrophobicContact CD1-CG1 3.42Å; I200-V225 VanDerWaalsContact CD1-CG1 3.42Å; I200-V225 HydrophobicContact CG1-CG1 3.56Å; A213-V225 HydrophobicContact CB-CG1 4.28Å; A213-V225 HydrophobicContact CB-CG2 4.33Å; E217-V225 HydrophobicContact CG-CG2 3.84Å; E217-V225 WeakPolarHBondContact OE1-CB 3.4Å; E217-V225 WeakPolarHBondContact OE1-CG2 3.44Å; E217-V225 PolarHBondContact OE1-N 2.92Å; L223-V225 HydrophobicContact CD2-CG2 4.41Å; L223-V225 HydrophobicContact CG-CG2 4.45Å; V225-L228 HydrophobicContact CG1-CB 4.43Å
226	I	89.4	Confident	86.7	Confident	70 Å²	70	63.1 Å²	63.1	36%	0.359	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.6	-176.7	-55.9	173.4	0	0	0	108.8	F197 L198 R199 I200	F197-I226 HydrophobicContact CD1-CD1 3.94Å; L198-I226 PolarHBondContact O-N 3.1Å; R199-I226 WeakPolarHBondContact CA-O 3.31Å; R199-I226 HydrophobicContact CG-CB 4.4Å; R199-I226 HydrophobicContact CG-CG2 4.48Å; I200-I226 PolarHBondContact N-O 2.85Å
227	G	83.4	Confident	86.1	Confident	38 Å²	38	67.2 Å²	67.2	39%	0.392	36%	0.36	S	S	.	.	S	Bend	trans	95.1	1.1	172.3	0	0	0	0	0	115.6	E201	E201-G227 VanDerWaalsContact CG-CA 3.49Å
228	L	84.8	Confident	85.8	Confident	21 Å²	21	68.5 Å²	68.5	11%	0.11	37%	0.366	C	S	.	.			trans	-101.1	126.6	173.3	-172.5	70.4	0	0	0	110.5	I200 I209 A210 A213 V225 Y230 A233	I200-L228 HydrophobicContact CD1-CB 3.87Å; I200-L228 HydrophobicContact CD1-CD1 4.33Å; I200-L228 HydrophobicContact CD1-CD2 4.06Å; I200-L228 HydrophobicContact CD1-CG 4.31Å; I200-L228 HydrophobicContact CG1-CB 4.15Å; I209-L228 HydrophobicContact CD1-CD1 4.36Å; I209-L228 HydrophobicContact CG1-CD1 4.27Å; I209-L228 HydrophobicContact CG2-CD1 3.8Å; A210-L228 HydrophobicContact CB-CD2 4.44Å; A213-L228 HydrophobicContact CB-CD2 3.82Å; V225-L228 HydrophobicContact CG1-CB 4.43Å; L228-Y230 HydrophobicContact CD2-CD1 3.95Å; L228-Y230 HydrophobicContact CD2-CE1 3.75Å; L228-Y230 PolarHBondContact O-N 3.43Å; L228-A233 HydrophobicContact CD1-CB 4.18Å
229	D	84.7	Confident	85.5	Confident	91 Å²	91	66.1 Å²	66.1	49%	0.487	35%	0.349	S	S	.	.			trans	-84.1	99.7	165.2	-171	-17.4	0	0	0	108.9	D231 L232 A233	D229-D231 VanDerWaalsContact C-N 3.26Å; D229-D231 PolarHBondContact O-N 3.33Å; D229-D231 PolarHBondContact OD1-N 3.13Å; D229-D231 VanDerWaalsContact OD1-N 3.15Å; D229-L232 HydrophobicContact CB-CB 4.09Å; D229-L232 PolarHBondContact OD1-N 3.32Å; D229-A233 VanDerWaalsContact O-CB 3.24Å; D229-A233 WeakPolarHBondContact O-CB 3.47Å; D229-A233 PolarHBondContact O-N 2.79Å
230	Y	84	Confident	85.1	Confident	57 Å²	57	65.3 Å²	65.3	22%	0.224	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-35.8	-178.3	-77.7	-73.6	0	0	0	112.5	A210 A213 L214 E217 L228 L234	A210-Y230 HydrophobicContact CB-CD1 4.41Å; A213-Y230 HydrophobicContact CB-CE1 4.03Å; L214-Y230 HydrophobicContact CD2-CD1 4.46Å; L214-Y230 HydrophobicContact CD2-CE1 4.03Å; L214-Y230 HydrophobicContact CG-CD1 4.42Å; L214-Y230 HydrophobicContact CG-CE1 4.01Å; E217-Y230 PolarHBondContact OE1-OH 3.17Å; E217-Y230 PolarHBondContact OE2-OH 3.16Å; L228-Y230 HydrophobicContact CD2-CD1 3.95Å; L228-Y230 HydrophobicContact CD2-CE1 3.75Å; L228-Y230 PolarHBondContact O-N 3.43Å; Y230-L234 VanDerWaalsContact O-CB 3.22Å; Y230-L234 WeakPolarHBondContact O-CB 3.45Å; Y230-L234 WeakPolarHBondContact O-CD1 3.43Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 3.32Å
231	D	82.7	Confident	84.9	Confident	108 Å²	108	69.2 Å²	69.2	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-69.3	-50.3	-176.7	-66.6	-33.7	0	0	0	109.7	D229 A233 L234 D235	D229-D231 VanDerWaalsContact C-N 3.26Å; D229-D231 PolarHBondContact O-N 3.33Å; D229-D231 PolarHBondContact OD1-N 3.13Å; D229-D231 VanDerWaalsContact OD1-N 3.15Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.35Å; D231-L234 PolarHBondContact O-N 2.97Å; D231-D235 WeakPolarHBondContact O-CB 3.2Å; D231-D235 PolarHBondContact O-N 3.16Å
232	L	81.1	Confident	85.1	Confident	79 Å²	79	70.4 Å²	70.4	41%	0.414	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-41.7	176.7	-177.7	63.4	0	0	0	112.1	D229 D235 N236	D229-L232 HydrophobicContact CB-CB 4.09Å; D229-L232 PolarHBondContact OD1-N 3.32Å; L232-D235 PolarHBondContact O-N 3.18Å; L232-N236 WeakPolarHBondContact O-CB 3.35Å; L232-N236 VanDerWaalsContact O-CG 3.26Å; L232-N236 PolarHBondContact O-N 3.43Å; L232-N236 PolarHBondContact O-ND2 3.16Å
233	A	79.7	Confident	85	Confident	17 Å²	17	66.4 Å²	66.4	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-70.9	-35.5	-178.8	0	0	0	0	0	112.6	I209 A210 L228 D229 D231 W237	I209-A233 HydrophobicContact CG2-CB 4.36Å; A210-A233 HydrophobicContact CB-CB 3.72Å; L228-A233 HydrophobicContact CD1-CB 4.18Å; D229-A233 VanDerWaalsContact O-CB 3.24Å; D229-A233 WeakPolarHBondContact O-CB 3.47Å; D229-A233 PolarHBondContact O-N 2.79Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-A233 PolarHBondContact O-N 3.35Å; A233-W237 WeakPolarHBondContact O-CB 3.48Å; A233-W237 PolarHBondContact O-N 3.3Å
234	L	83.3	Confident	84.8	Confident	63 Å²	63	69.7 Å²	69.7	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-71.2	-39.2	173.6	-74.3	170.6	0	0	0	111.8	A210 Y230 D231 N236 W237 E238	A210-L234 HydrophobicContact CB-CD2 4.12Å; A210-L234 HydrophobicContact CB-CG 4.18Å; Y230-L234 VanDerWaalsContact O-CB 3.22Å; Y230-L234 WeakPolarHBondContact O-CB 3.45Å; Y230-L234 WeakPolarHBondContact O-CD1 3.43Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 3.32Å; D231-L234 PolarHBondContact O-N 2.97Å; L234-N236 VanDerWaalsContact C-N 3.35Å; L234-W237 WeakPolarHBondContact O-CB 3.28Å; L234-W237 PolarHBondContact O-N 3.16Å; L234-E238 WeakPolarHBondContact O-CB 3.2Å; L234-E238 PolarHBondContact O-N 2.95Å
235	D	83.8	Confident	84.8	Confident	87 Å²	87	67.5 Å²	67.5	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-44.2	174.1	-79.3	-9.3	0	0	0	111.2	D231 L232 W237 E238 K239	D231-D235 WeakPolarHBondContact O-CB 3.2Å; D231-D235 PolarHBondContact O-N 3.16Å; L232-D235 PolarHBondContact O-N 3.18Å; D235-W237 VanDerWaalsContact C-N 3.33Å; D235-W237 PolarHBondContact O-N 3.34Å; D235-E238 PolarHBondContact O-N 3.4Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.5Å; D235-K239 PolarHBondContact O-N 3.06Å
236	N	81	Confident	84.8	Confident	52 Å²	52	68.4 Å²	68.4	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-65.2	-38	175.7	-73.8	-15.2	0	0	0	111.9	L232 L234 Q240	L232-N236 WeakPolarHBondContact O-CB 3.35Å; L232-N236 VanDerWaalsContact O-CG 3.26Å; L232-N236 PolarHBondContact O-N 3.43Å; L232-N236 PolarHBondContact O-ND2 3.16Å; L234-N236 VanDerWaalsContact C-N 3.35Å; N236-Q240 WeakPolarHBondContact O-CG 3.32Å; N236-Q240 PolarHBondContact O-N 3.31Å
237	W	79.4	Confident	84.9	Confident	89 Å²	89	74.4 Å²	74.4	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-45.7	173.2	178	74.6	0	0	0	112	N208 V211 A233 L234 D235 K239 Q240 L241	N208-W237 PolarHBondContact OD1-NE1 2.95Å; V211-W237 HydrophobicContact CG2-CD2 4.4Å; V211-W237 HydrophobicContact CG2-CG 4.43Å; A233-W237 WeakPolarHBondContact O-CB 3.48Å; A233-W237 PolarHBondContact O-N 3.3Å; L234-W237 WeakPolarHBondContact O-CB 3.28Å; L234-W237 PolarHBondContact O-N 3.16Å; D235-W237 VanDerWaalsContact C-N 3.33Å; D235-W237 PolarHBondContact O-N 3.34Å; W237-K239 PolarHBondContact O-N 2.75Å; W237-Q240 PolarHBondContact O-N 3.25Å; W237-L241 HydrophobicContact CH2-CD2 3.8Å; W237-L241 HydrophobicContact CZ2-CD2 4.11Å; W237-L241 HydrophobicContact CZ3-CD2 4.22Å; W237-L241 WeakPolarHBondContact O-CB 3.44Å; W237-L241 PolarHBondContact O-N 3.11Å
238	E	84.7	Confident	85.3	Confident	84 Å²	84	74.1 Å²	74.1	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-43.1	178.4	-169.6	-177.4	179.2	0	0	111.1	L234 D235 Q240 L241 R242	L234-E238 WeakPolarHBondContact O-CB 3.2Å; L234-E238 PolarHBondContact O-N 2.95Å; D235-E238 PolarHBondContact O-N 3.4Å; E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 2.86Å; E238-L241 PolarHBondContact O-N 3.37Å; E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 2.88Å; E238-R242 IonicContact OE1-CZ 3.52Å; E238-R242 IonicContact OE1-NE 3.74Å; E238-R242 PolarHBondContact OE1-NE 2.87Å; E238-R242 IonicContact OE1-NH2 2.81Å; E238-R242 PolarHBondContact OE1-NH2 3.49Å; E238-R242 IonicContact OE2-NH2 3.92Å
239	K	84.3	Confident	85.5	Confident	88 Å²	88	73.8 Å²	73.8	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-57.3	-45.4	172.9	-72.4	171.5	-169.6	168.7	0	111.8	D235 W237 R242 L243	D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.5Å; D235-K239 PolarHBondContact O-N 3.06Å; W237-K239 PolarHBondContact O-N 2.75Å; K239-R242 PolarHBondContact O-N 2.74Å; K239-L243 WeakPolarHBondContact O-CB 3.47Å; K239-L243 PolarHBondContact O-N 3.21Å
240	Q	82.3	Confident	85.7	Confident	56 Å²	56	72.8 Å²	72.8	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-64.9	-39.5	176.7	-77.1	-175	-4.9	0	0	112.4	N236 W237 E238 L243 L244	N236-Q240 WeakPolarHBondContact O-CG 3.32Å; N236-Q240 PolarHBondContact O-N 3.31Å; W237-Q240 PolarHBondContact O-N 3.25Å; E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 2.86Å; Q240-L243 WeakPolarHBondContact O-CB 3.45Å; Q240-L243 PolarHBondContact O-N 3.28Å; Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 WeakPolarHBondContact O-CG 3.36Å; Q240-L244 PolarHBondContact O-N 3.5Å
241	L	86.6	Confident	85.8	Confident	87 Å²	87	75.4 Å²	75.4	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-41.9	177	-171	69.5	0	0	0	111.1	W237 E238 L243 L244 S245	W237-L241 HydrophobicContact CH2-CD2 3.8Å; W237-L241 HydrophobicContact CZ2-CD2 4.11Å; W237-L241 HydrophobicContact CZ3-CD2 4.22Å; W237-L241 WeakPolarHBondContact O-CB 3.44Å; W237-L241 PolarHBondContact O-N 3.11Å; E238-L241 PolarHBondContact O-N 3.37Å; L241-L243 VanDerWaalsContact C-N 3.35Å; L241-L244 PolarHBondContact O-N 3.06Å; L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.34Å; L241-S245 PolarHBondContact O-N 2.93Å; L241-S245 PolarHBondContact O-OG 2.79Å
242	R	89.1	Confident	85.8	Confident	140 Å²	140	72.8 Å²	72.8	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-61.6	-42.3	172.9	-70.9	177.9	-174.6	-175.2	3.9	111.5	E238 K239 S245 H246 M309	E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 2.88Å; E238-R242 IonicContact OE1-CZ 3.52Å; E238-R242 IonicContact OE1-NE 3.74Å; E238-R242 PolarHBondContact OE1-NE 2.87Å; E238-R242 IonicContact OE1-NH2 2.81Å; E238-R242 PolarHBondContact OE1-NH2 3.49Å; E238-R242 IonicContact OE2-NH2 3.92Å; K239-R242 PolarHBondContact O-N 2.74Å; R242-S245 WeakPolarHBondContact CA-OG 3.35Å; R242-S245 PolarHBondContact O-OG 2.99Å; R242-H246 PolarHBondContact O-N 3.02Å; R242-M309 HydrophobicContact CB-SD 3.8Å
243	L	88.2	Confident	85.4	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-48.8	175.5	-178.8	66	0	0	0	112.1	K239 Q240 L241 H246 V249 V269 I306 M309	K239-L243 WeakPolarHBondContact O-CB 3.47Å; K239-L243 PolarHBondContact O-N 3.21Å; Q240-L243 WeakPolarHBondContact O-CB 3.45Å; Q240-L243 PolarHBondContact O-N 3.28Å; L241-L243 VanDerWaalsContact C-N 3.35Å; L243-H246 VanDerWaalsContact O-CB 3.31Å; L243-H246 WeakPolarHBondContact O-CB 3.31Å; L243-H246 PolarHBondContact O-N 3.48Å; L243-V249 HydrophobicContact CD1-CG2 4.25Å; L243-V249 WeakPolarHBondContact O-CB 3.45Å; L243-V249 WeakPolarHBondContact O-CG2 3.39Å; L243-V269 HydrophobicContact CD1-CG1 3.96Å; L243-V269 HydrophobicContact CD2-CG1 4.06Å; L243-I306 HydrophobicContact CD1-CG2 3.89Å; L243-M309 HydrophobicContact CB-CB 4.1Å; L243-M309 HydrophobicContact CD1-CB 3.96Å; L243-M309 HydrophobicContact CD1-CE 4.24Å
244	L	87.7	Confident	84.8	Confident	78 Å²	78	82 Å²	82	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-73.7	-28.1	-176.9	-69	174	0	0	0	113.2	Q240 L241 H246 A257	Q240-L244 WeakPolarHBondContact O-CB 3.31Å; Q240-L244 WeakPolarHBondContact O-CG 3.36Å; Q240-L244 PolarHBondContact O-N 3.5Å; L241-L244 PolarHBondContact O-N 3.06Å; L244-H246 VanDerWaalsContact C-N 3.3Å; L244-A257 HydrophobicContact CD2-CB 3.8Å
245	S	89.8	Confident	84.4	Confident	90 Å²	90	80.2 Å²	80.2	63%	0.629	41%	0.411	S	S	*	.	H	α-helix	trans	-82.2	-8.3	175.6	58.5	0	0	0	0	113.4	L241 R242 K247	L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.34Å; L241-S245 PolarHBondContact O-N 2.93Å; L241-S245 PolarHBondContact O-OG 2.79Å; R242-S245 WeakPolarHBondContact CA-OG 3.35Å; R242-S245 PolarHBondContact O-OG 2.99Å; S245-K247 PolarHBondContact O-N 3.08Å
246	H	92	Very high	84.3	Confident	37 Å²	37	76.4 Å²	76.4	17%	0.171	39%	0.391	C	S	.	.	S	Bend	trans	-64.7	134.1	179.6	-169.6	-83.3	0	0	0	111.4	R242 L243 L244 N248 V249 M309	R242-H246 PolarHBondContact O-N 3.02Å; L243-H246 VanDerWaalsContact O-CB 3.31Å; L243-H246 WeakPolarHBondContact O-CB 3.31Å; L243-H246 PolarHBondContact O-N 3.48Å; L244-H246 VanDerWaalsContact C-N 3.3Å; H246-N248 PolarHBondContact ND1-N 3.42Å; H246-N248 PolarHBondContact O-N 3.06Å; H246-N248 VanDerWaalsContact O-N 3.07Å; H246-V249 HydrophobicContact CB-CB 4.36Å; H246-V249 HydrophobicContact CB-CG2 3.98Å; H246-V249 PolarHBondContact O-N 2.84Å; H246-M309 HydrophobicContact CB-CE 4.45Å
247	K	91.4	Very high	84.6	Confident	197 Å²	197	74 Å²	74	86%	0.857	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-37.2	-175.4	177.2	-177.6	172.7	-172.8	0	114.2	S245	S245-K247 PolarHBondContact O-N 3.08Å
248	N	90.4	Very high	85	Confident	31 Å²	31	71 Å²	71	17%	0.166	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	3.4	-176.1	-60.2	-11.6	0	0	0	113.2	H246 L259 K260 L298 I306	H246-N248 PolarHBondContact ND1-N 3.42Å; H246-N248 PolarHBondContact O-N 3.06Å; H246-N248 VanDerWaalsContact O-N 3.07Å; N248-L259 HydrophobicContact CB-CD1 3.79Å; N248-L259 CarbonylContact O-C 2.99Å; N248-L259 WeakPolarHBondContact O-CA 3.39Å; N248-K260 PolarHBondContact O-N 2.7Å; N248-L298 HydrophobicContact CB-CD1 4.5Å; N248-I306 HydrophobicContact CB-CD1 4.44Å
249	V	90.4	Very high	85.2	Confident	15 Å²	15	67 Å²	67	9%	0.091	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.4	179.3	177.8	0	0	0	0	109.6	L243 H246 A257 F258 I306	L243-V249 HydrophobicContact CD1-CG2 4.25Å; L243-V249 WeakPolarHBondContact O-CB 3.45Å; L243-V249 WeakPolarHBondContact O-CG2 3.39Å; H246-V249 HydrophobicContact CB-CB 4.36Å; H246-V249 HydrophobicContact CB-CG2 3.98Å; H246-V249 PolarHBondContact O-N 2.84Å; V249-A257 HydrophobicContact CG1-CB 3.9Å; V249-F258 CarbonylContact C-O 3.58Å; V249-F258 WeakPolarHBondContact CA-O 3.38Å; V249-I306 HydrophobicContact CG2-CD1 4.39Å
250	V	88.3	Confident	85.5	Confident	69 Å²	69	67.7 Å²	67.7	42%	0.418	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.8	-179.1	-175.4	0	0	0	0	109	F258 K260	V250-F258 PolarHBondContact N-O 3.16Å; V250-F258 PolarHBondContact O-N 2.73Å; V250-K260 HydrophobicContact CG2-CB 4.16Å; V250-K260 HydrophobicContact CG2-CD 4.34Å
251	Q	86.3	Confident	85.8	Confident	113 Å²	113	65.3 Å²	65.3	53%	0.528	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.8	177.7	-160.1	177.1	20.5	0	0	111.1	G255 N256	Q251-G255 VanDerWaalsContact NE2-CA 3.28Å; Q251-G255 PolarHBondContact NE2-O 2.86Å; Q251-N256 CarbonylContact C-O 3.6Å; Q251-N256 VanDerWaalsContact CA-O 3.28Å; Q251-N256 WeakPolarHBondContact CA-O 3.36Å
252	D	82	Confident	85.8	Confident	52 Å²	52	67.3 Å²	67.3	28%	0.278	35%	0.352	S	S	.	.			trans	-81.7	171.9	169.4	74.6	7.5	0	0	0	112.1	K254 G255 N256 F258	D252-K254 PolarHBondContact O-N 2.92Å; D252-K254 VanDerWaalsContact O-N 3.11Å; D252-K254 VanDerWaalsContact OD1-C 3.25Å; D252-K254 VanDerWaalsContact OD1-CA 3.3Å; D252-K254 WeakPolarHBondContact OD1-CA 3.26Å; D252-K254 WeakPolarHBondContact OD1-CB 3.44Å; D252-K254 PolarHBondContact OD1-N 3.18Å; D252-G255 PolarHBondContact O-N 3.19Å; D252-G255 VanDerWaalsContact O-N 3.1Å; D252-G255 PolarHBondContact OD1-N 2.77Å; D252-N256 PolarHBondContact N-O 3.31Å; D252-N256 WeakPolarHBondContact OD1-CB 3.46Å; D252-N256 PolarHBondContact OD1-N 2.87Å; D252-N256 PolarHBondContact OD1-ND2 3.41Å; D252-N256 WeakPolarHBondContact OD2-CB 3.16Å; D252-N256 PolarHBondContact OD2-ND2 3.25Å; D252-F258 HydrophobicContact CB-CE2 3.96Å
253	A	73.9	Confident	85.6	Confident	117 Å²	117	66.5 Å²	66.5	97%	0.967	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	177	0	0	0	0	0	114.1
254	K	66.8	Low	85.2	Confident	174 Å²	174	68 Å²	68	76%	0.757	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.6	178	-65.5	-176.4	176.5	-178.9	0	112.5	D252	D252-K254 PolarHBondContact O-N 2.92Å; D252-K254 VanDerWaalsContact O-N 3.11Å; D252-K254 VanDerWaalsContact OD1-C 3.25Å; D252-K254 VanDerWaalsContact OD1-CA 3.3Å; D252-K254 WeakPolarHBondContact OD1-CA 3.26Å; D252-K254 WeakPolarHBondContact OD1-CB 3.44Å; D252-K254 PolarHBondContact OD1-N 3.18Å
255	G	73.8	Confident	84.9	Confident	24 Å²	24	67.4 Å²	67.4	25%	0.247	37%	0.37	C	S	.	.	S	Bend	trans	85.2	10.2	179.3	0	0	0	0	0	115.2	Q251 D252	Q251-G255 VanDerWaalsContact NE2-CA 3.28Å; Q251-G255 PolarHBondContact NE2-O 2.86Å; D252-G255 PolarHBondContact O-N 3.19Å; D252-G255 VanDerWaalsContact O-N 3.1Å; D252-G255 PolarHBondContact OD1-N 2.77Å
256	N	81.8	Confident	84.7	Confident	8 Å²	8	66.9 Å²	66.9	4%	0.043	36%	0.359	C	S	.	.			trans	-82.2	134.3	174.5	-51.8	-52.4	0	0	0	110.4	Q251 D252 F258 Y268 S270 G271 N272	Q251-N256 CarbonylContact C-O 3.6Å; Q251-N256 VanDerWaalsContact CA-O 3.28Å; Q251-N256 WeakPolarHBondContact CA-O 3.36Å; D252-N256 PolarHBondContact N-O 3.31Å; D252-N256 WeakPolarHBondContact OD1-CB 3.46Å; D252-N256 PolarHBondContact OD1-N 2.87Å; D252-N256 PolarHBondContact OD1-ND2 3.41Å; D252-N256 WeakPolarHBondContact OD2-CB 3.16Å; D252-N256 PolarHBondContact OD2-ND2 3.25Å; N256-F258 HydrophobicContact CB-CE2 3.74Å; N256-F258 HydrophobicContact CB-CZ 4.1Å; N256-Y268 HydrophobicContact CB-CD2 4.49Å; N256-Y268 HydrophobicContact CB-CE2 3.95Å; N256-S270 CarbonylContact C-O 3.41Å; N256-S270 WeakPolarHBondContact CA-O 3.42Å; N256-G271 VanDerWaalsContact OD1-CA 3.28Å; N256-G271 WeakPolarHBondContact OD1-CA 3.3Å; N256-N272 PolarHBondContact OD1-N 3.06Å
257	A	86.9	Confident	84.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.008	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.8	178.1	0	0	0	0	0	111	L244 V249 V269 S270	L244-A257 HydrophobicContact CD2-CB 3.8Å; V249-A257 HydrophobicContact CG1-CB 3.9Å; A257-V269 PolarHBondContact O-N 3.36Å; A257-S270 PolarHBondContact N-O 2.75Å; A257-S270 PolarHBondContact O-N 2.99Å
258	F	88	Confident	83.9	Confident	27 Å²	27	56.3 Å²	56.3	12%	0.118	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.8	177.9	-61.5	-90.5	0	0	0	110.5	V249 V250 D252 N256 L266 Y267 Y268	V249-F258 CarbonylContact C-O 3.58Å; V249-F258 WeakPolarHBondContact CA-O 3.38Å; V250-F258 PolarHBondContact N-O 3.16Å; V250-F258 PolarHBondContact O-N 2.73Å; D252-F258 HydrophobicContact CB-CE2 3.96Å; N256-F258 HydrophobicContact CB-CE2 3.74Å; N256-F258 HydrophobicContact CB-CZ 4.1Å; F258-L266 HydrophobicContact CB-CB 4.15Å; F258-L266 HydrophobicContact CB-CD2 4.2Å; F258-L266 HydrophobicContact CD1-CB 4.2Å; F258-L266 HydrophobicContact CG-CB 4.39Å; F258-Y267 CarbonylContact C-O 3.49Å; F258-Y267 WeakPolarHBondContact CA-O 2.83Å; F258-Y268 HydrophobicContact CD1-CD2 4.32Å; F258-Y268 AromaticContact CE1-CD2 3.74Å; F258-Y268 HydrophobicContact CE1-CD2 3.74Å; F258-Y268 HydrophobicContact CE1-CG 4.38Å; F258-Y268 HydrophobicContact CZ-CD2 4.02Å
259	L	89.7	Confident	83.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.9	164.7	169.7	64	0	0	0	108.6	N248 L266 Y267 V269 P296 L298 I306 L314	N248-L259 HydrophobicContact CB-CD1 3.79Å; N248-L259 CarbonylContact O-C 2.99Å; N248-L259 WeakPolarHBondContact O-CA 3.39Å; L259-L266 CarbonylContact O-C 3.58Å; L259-L266 WeakPolarHBondContact O-CA 3.43Å; L259-Y267 PolarHBondContact N-O 3.4Å; L259-Y267 PolarHBondContact O-N 3.05Å; L259-V269 HydrophobicContact CB-CG2 3.56Å; L259-P296 HydrophobicContact CD2-CB 4.12Å; L259-P296 HydrophobicContact CD2-CG 4.02Å; L259-L298 HydrophobicContact CD1-CD1 3.49Å; L259-L298 VanDerWaalsContact CD1-CD1 3.49Å; L259-L298 HydrophobicContact CD2-CD1 4.1Å; L259-L298 HydrophobicContact CG-CD1 3.97Å; L259-I306 HydrophobicContact CD1-CD1 3.32Å; L259-I306 HydrophobicContact CG-CD1 4.47Å; L259-L314 HydrophobicContact CD2-CD2 3.77Å
260	K	89.7	Confident	83.1	Confident	102 Å²	102	55 Å²	55	44%	0.443	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.8	173.1	-176.1	178.4	177.3	-175.4	0	109.3	N248 V250 E265 L266	N248-K260 PolarHBondContact O-N 2.7Å; V250-K260 HydrophobicContact CG2-CB 4.16Å; V250-K260 HydrophobicContact CG2-CD 4.34Å; K260-E265 WeakPolarHBondContact CA-O 3.34Å; K260-L266 HydrophobicContact CB-CD2 3.91Å; K260-L266 HydrophobicContact CG-CD2 4.12Å
261	D	88.3	Confident	82.4	Confident	6 Å²	6	52 Å²	52	3%	0.032	29%	0.29	C	S	.	.			trans	-82	176.2	173.4	74	7.6	0	0	0	112.5	L263 G264 E265 Y267 P296 T297 L298	D261-L263 PolarHBondContact O-N 2.91Å; D261-L263 VanDerWaalsContact OD1-C 3.3Å; D261-L263 WeakPolarHBondContact OD1-CA 3.46Å; D261-L263 WeakPolarHBondContact OD1-CB 3.42Å; D261-L263 PolarHBondContact OD1-N 3.36Å; D261-G264 PolarHBondContact O-N 3.11Å; D261-G264 PolarHBondContact OD1-N 3.01Å; D261-E265 PolarHBondContact N-O 3.4Å; D261-E265 WeakPolarHBondContact OD1-CA 3.39Å; D261-E265 WeakPolarHBondContact OD1-CB 3.23Å; D261-E265 PolarHBondContact OD1-N 3.26Å; D261-E265 WeakPolarHBondContact OD2-CB 3.46Å; D261-Y267 HydrophobicContact CB-CE2 4.1Å; D261-P296 HydrophobicContact CB-CB 4.46Å; D261-T297 PolarHBondContact OD2-OG1 3.24Å; D261-L298 HydrophobicContact CB-CG 4.18Å
262	D	86.5	Confident	81.4	Confident	128 Å²	128	52.8 Å²	52.8	68%	0.684	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.4	178.4	-67.8	-23.4	0	0	0	113.2	G264	D262-G264 VanDerWaalsContact C-N 3.33Å
263	L	84.8	Confident	80.3	Confident	123 Å²	123	51.9 Å²	51.9	64%	0.644	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.7	175.9	-61	176.2	0	0	0	112.6	D261 E265 T297	D261-L263 PolarHBondContact O-N 2.91Å; D261-L263 VanDerWaalsContact OD1-C 3.3Å; D261-L263 WeakPolarHBondContact OD1-CA 3.46Å; D261-L263 WeakPolarHBondContact OD1-CB 3.42Å; D261-L263 PolarHBondContact OD1-N 3.36Å; L263-E265 HydrophobicContact CB-CG 3.96Å; L263-T297 HydrophobicContact CD1-CG2 3.87Å
264	G	80	Confident	79.3	Confident	36 Å²	36	50.9 Å²	50.9	37%	0.371	28%	0.278	S	S	.	.	S	Bend	trans	85.1	13.8	-179.9	0	0	0	0	0	114.4	D261 D262	D261-G264 PolarHBondContact O-N 3.11Å; D261-G264 PolarHBondContact OD1-N 3.01Å; D262-G264 VanDerWaalsContact C-N 3.33Å
265	E	82.6	Confident	78.5	Confident	66 Å²	66	45.4 Å²	45.4	31%	0.308	26%	0.258	S	S	.	.			trans	-90.3	143.9	-175.7	-50.6	-72.1	-148.5	0	0	111.2	K260 D261 L263 Y267 R292	K260-E265 WeakPolarHBondContact CA-O 3.34Å; D261-E265 PolarHBondContact N-O 3.4Å; D261-E265 WeakPolarHBondContact OD1-CA 3.39Å; D261-E265 WeakPolarHBondContact OD1-CB 3.23Å; D261-E265 PolarHBondContact OD1-N 3.26Å; D261-E265 WeakPolarHBondContact OD2-CB 3.46Å; L263-E265 HydrophobicContact CB-CG 3.96Å; E265-Y267 HydrophobicContact CB-CE2 4.16Å; E265-R292 VanDerWaalsContact CB-NH1 3.29Å; E265-R292 IonicContact OE1-CZ 3.15Å; E265-R292 VanDerWaalsContact OE1-CZ 3.25Å; E265-R292 IonicContact OE1-NH1 2.77Å; E265-R292 PolarHBondContact OE1-NH1 3.46Å; E265-R292 VanDerWaalsContact OE1-NH1 3.15Å; E265-R292 IonicContact OE1-NH2 3.71Å; E265-R292 PolarHBondContact OE1-NH2 3.07Å; E265-R292 IonicContact OE2-CZ 3.49Å; E265-R292 IonicContact OE2-NE 2.7Å; E265-R292 IonicContact OE2-NH1 3.25Å; E265-R292 PolarHBondContact OE2-NH1 3.5Å; E265-R292 IonicContact OE2-NH2 3.59Å; E265-R292 PolarHBondContact OE2-NH2 3.14Å
266	L	84.2	Confident	77	Confident	78 Å²	78	50.8 Å²	50.8	41%	0.408	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.8	-169.9	-59.7	177.5	0	0	0	111	F258 L259 K260	F258-L266 HydrophobicContact CB-CB 4.15Å; F258-L266 HydrophobicContact CB-CD2 4.2Å; F258-L266 HydrophobicContact CD1-CB 4.2Å; F258-L266 HydrophobicContact CG-CB 4.39Å; L259-L266 CarbonylContact O-C 3.58Å; L259-L266 WeakPolarHBondContact O-CA 3.43Å; K260-L266 HydrophobicContact CB-CD2 3.91Å; K260-L266 HydrophobicContact CG-CD2 4.12Å
267	Y	84.7	Confident	75	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.2	177.2	-63.6	-87.1	0	0	0	109.2	F258 L259 D261 E265 V269 R292 D294 P295 P296 L318	F258-Y267 CarbonylContact C-O 3.49Å; F258-Y267 WeakPolarHBondContact CA-O 2.83Å; L259-Y267 PolarHBondContact N-O 3.4Å; L259-Y267 PolarHBondContact O-N 3.05Å; D261-Y267 HydrophobicContact CB-CE2 4.1Å; E265-Y267 HydrophobicContact CB-CE2 4.16Å; Y267-V269 PolarHBondContact O-N 3.25Å; Y267-R292 HydrophobicContact CD1-CB 3.76Å; Y267-R292 HydrophobicContact CE1-CB 3.45Å; Y267-R292 VanDerWaalsContact CE1-CB 3.45Å; Y267-R292 HydrophobicContact CE1-CG 4.3Å; Y267-D294 WeakPolarHBondContact CE1-O 3.37Å; Y267-P295 PolarHBondContact OH-O 3.26Å; Y267-P296 HydrophobicContact CD2-CB 3.88Å; Y267-P296 HydrophobicContact CE2-CB 3.67Å; Y267-P296 HydrophobicContact CG-CB 4.4Å; Y267-L318 HydrophobicContact CD1-CD2 4.46Å
268	Y	82.5	Confident	72.8	Confident	6 Å²	6	55.5 Å²	55.5	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.7	-177.4	-179.2	-91.2	0	0	0	110.9	N256 F258 G271 V273 I291 R313 L317	N256-Y268 HydrophobicContact CB-CD2 4.49Å; N256-Y268 HydrophobicContact CB-CE2 3.95Å; F258-Y268 HydrophobicContact CD1-CD2 4.32Å; F258-Y268 AromaticContact CE1-CD2 3.74Å; F258-Y268 HydrophobicContact CE1-CD2 3.74Å; F258-Y268 HydrophobicContact CE1-CG 4.38Å; F258-Y268 HydrophobicContact CZ-CD2 4.02Å; Y268-G271 WeakPolarHBondContact OH-CA 3.46Å; Y268-G271 PolarHBondContact OH-N 3.06Å; Y268-G271 PolarHBondContact OH-O 2.99Å; Y268-V273 HydrophobicContact CD2-CG2 4.25Å; Y268-V273 HydrophobicContact CE2-CB 3.78Å; Y268-V273 HydrophobicContact CE2-CG2 3.48Å; Y268-V273 VanDerWaalsContact CE2-CG2 3.48Å; Y268-V273 PolarHBondContact OH-N 3.49Å; Y268-I291 HydrophobicContact CG-CD1 4.5Å; Y268-R313 PolarHBondContact OH-NH2 3.38Å; Y268-L317 HydrophobicContact CD1-CD1 3.5Å; Y268-L317 VanDerWaalsContact CD1-CD1 3.5Å; Y268-L317 HydrophobicContact CE1-CD1 4.23Å; Y268-L317 HydrophobicContact CG-CD1 4.46Å; Y268-L317 WeakPolarHBondContact O-CD1 3.48Å
269	V	83.9	Confident	70.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-45.5	-177.2	-174.9	0	0	0	0	111.6	L243 A257 L259 Y267 I306 R313	L243-V269 HydrophobicContact CD1-CG1 3.96Å; L243-V269 HydrophobicContact CD2-CG1 4.06Å; A257-V269 PolarHBondContact O-N 3.36Å; L259-V269 HydrophobicContact CB-CG2 3.56Å; Y267-V269 PolarHBondContact O-N 3.25Å; V269-I306 HydrophobicContact CG1-CG2 4.1Å; V269-I306 HydrophobicContact CG2-CG2 4.22Å; V269-R313 VanDerWaalsContact O-CD 3.28Å; V269-R313 WeakPolarHBondContact O-CD 3.19Å
270	S	80.6	Confident	68.1	Low	18 Å²	18	59.7 Å²	59.7	13%	0.126	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	155	-178.6	-177.7	0	0	0	0	110.6	N256 A257	N256-S270 CarbonylContact C-O 3.41Å; N256-S270 WeakPolarHBondContact CA-O 3.42Å; A257-S270 PolarHBondContact N-O 2.75Å; A257-S270 PolarHBondContact O-N 2.99Å
271	G	74.1	Confident	65.6	Low	7 Å²	7	64.6 Å²	64.6	7%	0.072	36%	0.364	C	S	.	.	S	Bend	trans	153.2	-175.3	-178.6	0	0	0	0	0	113.5	N256 Y268 R313	N256-G271 VanDerWaalsContact OD1-CA 3.28Å; N256-G271 WeakPolarHBondContact OD1-CA 3.3Å; Y268-G271 WeakPolarHBondContact OH-CA 3.46Å; Y268-G271 PolarHBondContact OH-N 3.06Å; Y268-G271 PolarHBondContact OH-O 2.99Å; G271-R313 PolarHBondContact O-NH2 3.35Å
272	N	64	Low	63.7	Low	129 Å²	129	69.2 Å²	69.2	69%	0.69	39%	0.388	S	S	*	.	S	Bend	trans	-97.9	10.4	-179.5	-68.2	-0	0	0	0	112.1	N256 P274	N256-N272 PolarHBondContact OD1-N 3.06Å; N272-P274 WeakPolarHBondContact O-CD 3.27Å
273	V	59.4	Low	61.5	Low	32 Å²	32	70.4 Å²	70.4	19%	0.194	39%	0.388	C	S	.	.			trans	-65	123.1	175.4	-177.5	0	0	0	0	107.8	Y268 V275 V288	Y268-V273 HydrophobicContact CD2-CG2 4.25Å; Y268-V273 HydrophobicContact CE2-CB 3.78Å; Y268-V273 HydrophobicContact CE2-CG2 3.48Å; Y268-V273 VanDerWaalsContact CE2-CG2 3.48Å; Y268-V273 PolarHBondContact OH-N 3.49Å; V273-V275 PolarHBondContact O-N 3.07Å; V273-V275 VanDerWaalsContact O-N 3.15Å; V273-V288 HydrophobicContact CG1-CG2 4.43Å
274	P	51.9	Low	59.1	Low	97 Å²	97	69.8 Å²	69.8	63%	0.63	38%	0.384	S	S	*	.			trans	-59.9	122.7	175.6	23.2	-31	0	0	0	108.4	N272 Q276	N272-P274 WeakPolarHBondContact O-CD 3.27Å; P274-Q276 PolarHBondContact O-N 3.33Å; P274-Q276 VanDerWaalsContact O-N 3.14Å
275	V	50.5	Low	56.8	Low	58 Å²	58	70.3 Å²	70.3	35%	0.352	38%	0.381	S	S	.	.	S	Bend	trans	-69.5	-9.6	-177.2	-171	0	0	0	0	111.7	V273 L317	V273-V275 PolarHBondContact O-N 3.07Å; V273-V275 VanDerWaalsContact O-N 3.15Å; V275-L317 HydrophobicContact CG1-CD2 4.05Å
276	Q	43.7	Very low	54.6	Low	137 Å²	137	70.7 Å²	70.7	64%	0.64	39%	0.385	S	S	*	.	S	Bend	trans	-76.5	132.7	174.3	-66.5	-169.9	2.4	0	0	111	P274 A278	P274-Q276 PolarHBondContact O-N 3.33Å; P274-Q276 VanDerWaalsContact O-N 3.14Å; Q276-A278 PolarHBondContact O-N 3.39Å; Q276-A278 VanDerWaalsContact O-N 3.14Å
277	P	38.9	Very low	52.2	Low	62 Å²	62	71.5 Å²	71.5	40%	0.403	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-59.4	122.3	170	24.2	-30.7	0	0	0	108.7	P285	P277-P285 HydrophobicContact CB-CB 3.63Å; P277-P285 HydrophobicContact CG-CB 4.49Å
278	A	40.2	Very low	50	Low	46 Å²	46	74.2 Å²	74.2	38%	0.38	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	151.3	156.3	0	0	0	0	0	106.7	Q276 P285 I286	Q276-A278 PolarHBondContact O-N 3.39Å; Q276-A278 VanDerWaalsContact O-N 3.14Å; A278-P285 CarbonylContact O-C 3.56Å; A278-P285 WeakPolarHBondContact O-CA 3.44Å; A278-I286 CarbonylContact C-O 3.49Å; A278-I286 HydrophobicContact CB-CB 3.75Å; A278-I286 HydrophobicContact CB-CD1 4.09Å; A278-I286 HydrophobicContact CB-CG1 4.49Å; A278-I286 HydrophobicContact CB-CG2 4.14Å; A278-I286 PolarHBondContact N-O 3.03Å; A278-I286 CarbonylContact O-C 3.58Å; A278-I286 WeakPolarHBondContact O-CA 3.33Å; A278-I286 WeakPolarHBondContact O-CB 3.4Å; A278-I286 PolarHBondContact O-N 3.16Å
279	L	38.2	Very low	48	Very low	84 Å²	84	79.4 Å²	79.4	44%	0.44	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.7	177.1	-84.6	148.2	0	0	0	107.9	I286	L279-I286 VanDerWaalsContact O-CD1 3.27Å; L279-I286 WeakPolarHBondContact O-CD1 3.37Å
280	A	40.4	Very low	46.6	Very low	31 Å²	31	83.3 Å²	83.3	26%	0.256	46%	0.463	S	S	.	.			trans	-79	165	176.7	0	0	0	0	0	108.8	D282 K283 L284 I286	A280-D282 WeakPolarHBondContact CB-OD1 3.46Å; A280-D282 PolarHBondContact O-N 3.28Å; A280-K283 PolarHBondContact O-N 3.17Å; A280-L284 PolarHBondContact N-O 3.17Å; A280-I286 VanDerWaalsContact CA-CG1 3.47Å; A280-I286 HydrophobicContact CB-CD1 4.18Å; A280-I286 HydrophobicContact CB-CG1 3.5Å
281	E	38.6	Very low	45.6	Very low	206 Å²	206	84.4 Å²	84.4	96%	0.963	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.6	178.3	-65.5	178.4	173.3	0	0	112.8
282	D	47.9	Very low	45.3	Very low	102 Å²	102	88.2 Å²	88.2	55%	0.545	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	12.5	178.4	59.3	1.6	0	0	0	114.4	A280 L284	A280-D282 WeakPolarHBondContact CB-OD1 3.46Å; A280-D282 PolarHBondContact O-N 3.28Å; D282-L284 PolarHBondContact O-N 3.29Å; D282-L284 VanDerWaalsContact O-N 3.09Å; D282-L284 WeakPolarHBondContact OD1-CB 3.5Å; D282-L284 PolarHBondContact OD1-N 2.8Å
283	K	40.8	Very low	45.6	Very low	154 Å²	154	87.3 Å²	87.3	67%	0.67	47%	0.47	S	S	*	.	S	Bend	trans	60.6	10.5	-177.2	-56.6	179.7	177.8	179.2	0	114.5	A280	A280-K283 PolarHBondContact O-N 3.17Å
284	L	33.6	Very low	46.6	Very low	109 Å²	109	90.8 Å²	90.8	57%	0.571	49%	0.487	S	S	*	.	S	Bend	trans	-78	140.7	161.6	-66.7	170	0	0	0	107.1	A280 D282 I286	A280-L284 PolarHBondContact N-O 3.17Å; D282-L284 PolarHBondContact O-N 3.29Å; D282-L284 VanDerWaalsContact O-N 3.09Å; D282-L284 WeakPolarHBondContact OD1-CB 3.5Å; D282-L284 PolarHBondContact OD1-N 2.8Å; L284-I286 PolarHBondContact O-N 2.82Å
285	P	32.7	Very low	48.2	Very low	48 Å²	48	88.1 Å²	88.1	31%	0.312	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	121.8	166.2	21.8	-32.1	0	0	0	107.8	P277 A278 F287	P277-P285 HydrophobicContact CB-CB 3.63Å; P277-P285 HydrophobicContact CG-CB 4.49Å; A278-P285 CarbonylContact O-C 3.56Å; A278-P285 WeakPolarHBondContact O-CA 3.44Å; P285-F287 HydrophobicContact CB-CD2 3.81Å; P285-F287 HydrophobicContact CB-CE2 3.8Å; P285-F287 HydrophobicContact CB-CG 4.35Å; P285-F287 HydrophobicContact CB-CZ 4.29Å; P285-F287 HydrophobicContact CG-CD2 3.54Å; P285-F287 HydrophobicContact CG-CE2 3.19Å; P285-F287 HydrophobicContact CG-CZ 3.92Å; P285-F287 PolarHBondContact O-N 3.14Å
286	I	35.1	Very low	49.9	Very low	74 Å²	74	85.4 Å²	85.4	38%	0.379	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	77.7	140.1	-55.4	156.7	0	0	0	103.4	A278 L279 A280 L284 V288	A278-I286 CarbonylContact C-O 3.49Å; A278-I286 HydrophobicContact CB-CB 3.75Å; A278-I286 HydrophobicContact CB-CD1 4.09Å; A278-I286 HydrophobicContact CB-CG1 4.49Å; A278-I286 HydrophobicContact CB-CG2 4.14Å; A278-I286 PolarHBondContact N-O 3.03Å; A278-I286 CarbonylContact O-C 3.58Å; A278-I286 WeakPolarHBondContact O-CA 3.33Å; A278-I286 WeakPolarHBondContact O-CB 3.4Å; A278-I286 PolarHBondContact O-N 3.16Å; L279-I286 VanDerWaalsContact O-CD1 3.27Å; L279-I286 WeakPolarHBondContact O-CD1 3.37Å; A280-I286 VanDerWaalsContact CA-CG1 3.47Å; A280-I286 HydrophobicContact CB-CD1 4.18Å; A280-I286 HydrophobicContact CB-CG1 3.5Å; L284-I286 PolarHBondContact O-N 2.82Å; I286-V288 VanDerWaalsContact C-N 3.28Å; I286-V288 PolarHBondContact O-N 2.94Å
287	F	33.7	Very low	52	Low	94 Å²	94	82.2 Å²	82.2	41%	0.412	44%	0.443	S	S	.	.			trans	-45.2	119.6	135.6	-70.7	-72.7	0	0	0	102.6	P285 S289 K293	P285-F287 HydrophobicContact CB-CD2 3.81Å; P285-F287 HydrophobicContact CB-CE2 3.8Å; P285-F287 HydrophobicContact CB-CG 4.35Å; P285-F287 HydrophobicContact CB-CZ 4.29Å; P285-F287 HydrophobicContact CG-CD2 3.54Å; P285-F287 HydrophobicContact CG-CE2 3.19Å; P285-F287 HydrophobicContact CG-CZ 3.92Å; P285-F287 PolarHBondContact O-N 3.14Å; F287-S289 WeakPolarHBondContact O-CA 3.37Å; F287-S289 PolarHBondContact O-N 3.29Å; F287-K293 VanDerWaalsContact CZ-NZ 3.26Å
288	V	39.1	Very low	54.3	Low	64 Å²	64	80.1 Å²	80.1	39%	0.388	43%	0.429	S	S	.	.			trans	-51	102.4	154.6	-168.6	0	0	0	0	101	V273 I286 T290 I291	V273-V288 HydrophobicContact CG1-CG2 4.43Å; I286-V288 VanDerWaalsContact C-N 3.28Å; I286-V288 PolarHBondContact O-N 2.94Å; V288-T290 HydrophobicContact CG1-CG2 4.29Å; V288-T290 VanDerWaalsContact CG1-OG1 3.31Å; V288-T290 WeakPolarHBondContact CG1-OG1 3.42Å; V288-T290 PolarHBondContact O-N 2.85Å; V288-T290 PolarHBondContact O-OG1 3.2Å; V288-I291 PolarHBondContact O-N 3.12Å
289	S	41.8	Very low	56.6	Low	116 Å²	116	81.4 Å²	81.4	81%	0.811	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	21.7	-157.4	58.9	0	0	0	0	111.1	F287	F287-S289 WeakPolarHBondContact O-CA 3.37Å; F287-S289 PolarHBondContact O-N 3.29Å
290	T	53.1	Low	59	Low	81 Å²	81	80.6 Å²	80.6	50%	0.497	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-19.4	-177.9	56.9	0	0	0	0	111.1	V288 R292	V288-T290 HydrophobicContact CG1-CG2 4.29Å; V288-T290 VanDerWaalsContact CG1-OG1 3.31Å; V288-T290 WeakPolarHBondContact CG1-OG1 3.42Å; V288-T290 PolarHBondContact O-N 2.85Å; V288-T290 PolarHBondContact O-OG1 3.2Å; T290-R292 PolarHBondContact O-N 3.41Å
291	I	61	Low	61.3	Low	42 Å²	42	86.8 Å²	86.8	22%	0.215	45%	0.452	C	S	.	.	S	Bend	trans	-84.3	102.7	175.4	-51.7	-178.7	0	0	0	108.6	Y268 V288 L317	Y268-I291 HydrophobicContact CG-CD1 4.5Å; V288-I291 PolarHBondContact O-N 3.12Å; I291-L317 HydrophobicContact CD1-CD2 4.49Å; I291-L317 HydrophobicContact CG2-CB 4.35Å
292	R	66.5	Low	63.7	Low	87 Å²	87	78.3 Å²	78.3	33%	0.328	42%	0.415	S	S	.	.			trans	-65.5	143.9	173.7	-71.7	-175	165.9	-137.4	-8.5	111	E265 Y267 T290	E265-R292 VanDerWaalsContact CB-NH1 3.29Å; E265-R292 IonicContact OE1-CZ 3.15Å; E265-R292 VanDerWaalsContact OE1-CZ 3.25Å; E265-R292 IonicContact OE1-NH1 2.77Å; E265-R292 PolarHBondContact OE1-NH1 3.46Å; E265-R292 VanDerWaalsContact OE1-NH1 3.15Å; E265-R292 IonicContact OE1-NH2 3.71Å; E265-R292 PolarHBondContact OE1-NH2 3.07Å; E265-R292 IonicContact OE2-CZ 3.49Å; E265-R292 IonicContact OE2-NE 2.7Å; E265-R292 IonicContact OE2-NH1 3.25Å; E265-R292 PolarHBondContact OE2-NH1 3.5Å; E265-R292 IonicContact OE2-NH2 3.59Å; E265-R292 PolarHBondContact OE2-NH2 3.14Å; Y267-R292 HydrophobicContact CD1-CB 3.76Å; Y267-R292 HydrophobicContact CE1-CB 3.45Å; Y267-R292 VanDerWaalsContact CE1-CB 3.45Å; Y267-R292 HydrophobicContact CE1-CG 4.3Å; T290-R292 PolarHBondContact O-N 3.41Å
293	K	70.5	Confident	65.7	Low	110 Å²	110	73.5 Å²	73.5	48%	0.478	39%	0.389	S	S	.	.			trans	-104.1	-10.4	177.9	-64.8	-169.5	178.3	-172	0	113.4	F287 L318	F287-K293 VanDerWaalsContact CZ-NZ 3.26Å; K293-L318 VanDerWaalsContact C-CD2 3.47Å; K293-L318 WeakPolarHBondContact O-CD2 3.4Å
294	D	81	Confident	68	Low	105 Å²	105	70.1 Å²	70.1	56%	0.561	38%	0.376	S	S	*	.	S	Bend	trans	-80.8	145	178.3	-47.2	-64.5	0	0	0	109.5	Y267 L318	Y267-D294 WeakPolarHBondContact CE1-O 3.37Å; D294-L318 WeakPolarHBondContact O-CD2 3.31Å
295	P	84.8	Confident	70.7	Confident	40 Å²	40	69.2 Å²	69.2	26%	0.26	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63.5	147.3	176.1	26.2	-33.2	0	0	0	111.5	Y267 H349	Y267-P295 PolarHBondContact OH-O 3.26Å; P295-H349 HydrophobicContact CB-CB 4.4Å; P295-H349 HydrophobicContact CG-CB 3.92Å
296	P	87.4	Confident	73.4	Confident	1 Å²	1	67 Å²	67	1%	0.006	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69	144.9	179.2	27.6	-33.7	0	0	0	111.9	L259 D261 Y267 L298 T303	L259-P296 HydrophobicContact CD2-CB 4.12Å; L259-P296 HydrophobicContact CD2-CG 4.02Å; D261-P296 HydrophobicContact CB-CB 4.46Å; Y267-P296 HydrophobicContact CD2-CB 3.88Å; Y267-P296 HydrophobicContact CE2-CB 3.67Å; Y267-P296 HydrophobicContact CG-CB 4.4Å; P296-L298 PolarHBondContact O-N 3.14Å; P296-T303 HydrophobicContact CG-CG2 3.39Å
297	T	86	Confident	76	Confident	71 Å²	71	64.4 Å²	64.4	44%	0.436	34%	0.341	S	S	.	.	S	Bend	trans	-84.4	53.6	176.6	64	0	0	0	0	111.6	D261 L263	D261-T297 PolarHBondContact OD2-OG1 3.24Å; L263-T297 HydrophobicContact CD1-CG2 3.87Å
298	L	87.2	Confident	78.5	Confident	18 Å²	18	68.8 Å²	68.8	9%	0.094	36%	0.355	C	S	.	.	S	Bend	trans	-114.8	162.4	175.3	-76.2	171.6	0	0	0	109.9	N248 L259 D261 P296 L300	N248-L298 HydrophobicContact CB-CD1 4.5Å; L259-L298 HydrophobicContact CD1-CD1 3.49Å; L259-L298 VanDerWaalsContact CD1-CD1 3.49Å; L259-L298 HydrophobicContact CD2-CD1 4.1Å; L259-L298 HydrophobicContact CG-CD1 3.97Å; D261-L298 HydrophobicContact CB-CG 4.18Å; P296-L298 PolarHBondContact O-N 3.14Å; L298-L300 PolarHBondContact O-N 3.2Å
299	P	89.6	Confident	80.7	Confident	73 Å²	73	67 Å²	67	47%	0.474	34%	0.343	S	S	.	.			trans	-52	139.9	169.6	-24.8	34.5	0	0	0	111.2	E301 T302 T303	P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.19Å; P299-T302 PolarHBondContact O-N 3.31Å; P299-T303 PolarHBondContact O-N 2.97Å; P299-T303 PolarHBondContact O-OG1 2.98Å
300	L	87.5	Confident	82.6	Confident	66 Å²	66	61.9 Å²	61.9	35%	0.346	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-43.8	-177.4	-179.7	63.5	0	0	0	111.3	L298 T302 T303 E304 P350 F351	L298-L300 PolarHBondContact O-N 3.2Å; L300-T302 PolarHBondContact O-N 2.87Å; L300-T303 PolarHBondContact O-N 3.02Å; L300-T303 VanDerWaalsContact O-N 3.11Å; L300-E304 HydrophobicContact CD1-CG 4.11Å; L300-E304 HydrophobicContact CG-CG 4.32Å; L300-E304 WeakPolarHBondContact O-CB 3.5Å; L300-E304 WeakPolarHBondContact O-CG 3.33Å; L300-E304 PolarHBondContact O-N 3.07Å; L300-P350 HydrophobicContact CD1-CB 4.29Å; L300-P350 HydrophobicContact CD2-CB 3.91Å; L300-F351 HydrophobicContact CD1-CB 3.61Å; L300-F351 HydrophobicContact CD1-CD2 4.12Å; L300-F351 HydrophobicContact CD1-CG 4.37Å
301	E	89.1	Confident	83.9	Confident	161 Å²	161	63.5 Å²	63.5	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-54.5	-49.6	178.2	-62.3	174.8	-176.2	0	0	111.8	P299 T303 E304 E305	P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.19Å; E301-T303 VanDerWaalsContact C-N 3.33Å; E301-T303 PolarHBondContact O-N 2.9Å; E301-E304 PolarHBondContact O-N 3.35Å; E301-E305 VanDerWaalsContact O-CB 3.31Å; E301-E305 WeakPolarHBondContact O-CB 3.15Å; E301-E305 PolarHBondContact O-N 2.81Å
302	T	90.3	Very high	84.8	Confident	29 Å²	29	61.8 Å²	61.8	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-65.6	-37.4	178.7	-48.8	0	0	0	0	111.8	P299 L300 I306	P299-T302 PolarHBondContact O-N 3.31Å; L300-T302 PolarHBondContact O-N 2.87Å; T302-I306 HydrophobicContact CG2-CD1 4.12Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.41Å; T302-I306 PolarHBondContact O-N 3.4Å; T302-I306 VanDerWaalsContact O-N 3.1Å
303	T	89.5	Confident	85.4	Confident	1 Å²	1	60 Å²	60	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-41.3	-180	-46.6	0	0	0	0	111.3	P296 P299 L300 E301 N307 L314 F351	P296-T303 HydrophobicContact CG-CG2 3.39Å; P299-T303 PolarHBondContact O-N 2.97Å; P299-T303 PolarHBondContact O-OG1 2.98Å; L300-T303 PolarHBondContact O-N 3.02Å; L300-T303 VanDerWaalsContact O-N 3.11Å; E301-T303 VanDerWaalsContact C-N 3.33Å; E301-T303 PolarHBondContact O-N 2.9Å; T303-N307 VanDerWaalsContact O-CB 3.27Å; T303-N307 WeakPolarHBondContact O-CB 3.4Å; T303-N307 PolarHBondContact O-N 3.27Å; T303-L314 HydrophobicContact CG2-CD2 4.03Å; T303-F351 HydrophobicContact CG2-CD1 4.22Å; T303-F351 HydrophobicContact CG2-CD2 3.73Å; T303-F351 HydrophobicContact CG2-CE1 4.14Å; T303-F351 HydrophobicContact CG2-CE2 3.63Å; T303-F351 HydrophobicContact CG2-CG 4.02Å; T303-F351 HydrophobicContact CG2-CZ 3.84Å
304	E	88.7	Confident	86.1	Confident	82 Å²	82	54.9 Å²	54.9	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-69.3	-38.5	175.8	-73.1	-176.6	175.7	0	0	112.8	L300 E301 N307 R308 F351	L300-E304 HydrophobicContact CD1-CG 4.11Å; L300-E304 HydrophobicContact CG-CG 4.32Å; L300-E304 WeakPolarHBondContact O-CB 3.5Å; L300-E304 WeakPolarHBondContact O-CG 3.33Å; L300-E304 PolarHBondContact O-N 3.07Å; E301-E304 PolarHBondContact O-N 3.35Å; E304-N307 PolarHBondContact O-N 2.95Å; E304-R308 WeakPolarHBondContact O-CB 3.28Å; E304-R308 PolarHBondContact O-N 3.08Å; E304-F351 HydrophobicContact CG-CD2 3.9Å; E304-F351 HydrophobicContact CG-CE2 4.12Å
305	E	90.2	Very high	86.3	Confident	91 Å²	91	50.8 Å²	50.8	43%	0.425	25%	0.253	S	S	.	.	H	α-helix	trans	-58.8	-50.9	174.4	-174	-176.4	-176.5	0	0	110.9	E301 N307 R308 M309	E301-E305 VanDerWaalsContact O-CB 3.31Å; E301-E305 WeakPolarHBondContact O-CB 3.15Å; E301-E305 PolarHBondContact O-N 2.81Å; E305-N307 VanDerWaalsContact C-N 3.33Å; E305-N307 PolarHBondContact O-N 3.04Å; E305-R308 WeakPolarHBondContact O-CB 3.07Å; E305-R308 PolarHBondContact O-N 3.35Å; E305-M309 HydrophobicContact CG-CE 4.14Å; E305-M309 WeakPolarHBondContact O-CG 3.15Å; E305-M309 PolarHBondContact O-N 3.12Å
306	I	90	Very high	86.1	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-39.7	177.8	-66.2	172.8	0	0	0	110.9	L243 N248 V249 L259 V269 T302 R308 M309 S310	L243-I306 HydrophobicContact CD1-CG2 3.89Å; N248-I306 HydrophobicContact CB-CD1 4.44Å; V249-I306 HydrophobicContact CG2-CD1 4.39Å; L259-I306 HydrophobicContact CD1-CD1 3.32Å; L259-I306 HydrophobicContact CG-CD1 4.47Å; V269-I306 HydrophobicContact CG1-CG2 4.1Å; V269-I306 HydrophobicContact CG2-CG2 4.22Å; T302-I306 HydrophobicContact CG2-CD1 4.12Å; T302-I306 VanDerWaalsContact O-CG1 3.27Å; T302-I306 WeakPolarHBondContact O-CG1 3.41Å; T302-I306 PolarHBondContact O-N 3.4Å; T302-I306 VanDerWaalsContact O-N 3.1Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.44Å; I306-M309 HydrophobicContact CB-CE 4.48Å; I306-M309 HydrophobicContact CG1-CE 3.98Å; I306-M309 PolarHBondContact O-N 2.88Å; I306-S310 WeakPolarHBondContact O-CB 3.45Å; I306-S310 PolarHBondContact O-N 2.84Å; I306-S310 PolarHBondContact O-OG 3.42Å
307	N	88.4	Confident	85.6	Confident	21 Å²	21	50 Å²	50	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-42.8	175.4	-172.1	60	0	0	0	111.6	T303 E304 E305 S310 D311 G312 K315 F351	T303-N307 VanDerWaalsContact O-CB 3.27Å; T303-N307 WeakPolarHBondContact O-CB 3.4Å; T303-N307 PolarHBondContact O-N 3.27Å; E304-N307 PolarHBondContact O-N 2.95Å; E305-N307 VanDerWaalsContact C-N 3.33Å; E305-N307 PolarHBondContact O-N 3.04Å; N307-S310 WeakPolarHBondContact CA-OG 3.35Å; N307-S310 CarbonylContact O-C 3.32Å; N307-S310 PolarHBondContact O-N 3.04Å; N307-S310 VanDerWaalsContact O-N 3.15Å; N307-S310 PolarHBondContact O-OG 2.85Å; N307-D311 PolarHBondContact O-N 3.25Å; N307-G312 PolarHBondContact O-N 3.4Å; N307-G312 WeakPolarHBondContact OD1-CA 3.36Å; N307-G312 PolarHBondContact OD1-O 2.93Å; N307-K315 WeakPolarHBondContact OD1-CB 3.35Å; N307-K315 PolarHBondContact OD1-N 3.2Å; N307-F351 HydrophobicContact CB-CE2 3.87Å; N307-F351 HydrophobicContact CB-CZ 3.83Å
308	R	86.5	Confident	85.3	Confident	186 Å²	186	47.3 Å²	47.3	70%	0.702	23%	0.23	S	C	*	.	H	α-helix	trans	-64.6	-41.2	177.1	-169.5	-174.1	-57.7	152	5.1	112.2	E304 E305 I306 S310 D311	E304-R308 WeakPolarHBondContact O-CB 3.28Å; E304-R308 PolarHBondContact O-N 3.08Å; E305-R308 WeakPolarHBondContact O-CB 3.07Å; E305-R308 PolarHBondContact O-N 3.35Å; I306-R308 VanDerWaalsContact C-N 3.33Å; I306-R308 PolarHBondContact O-N 3.44Å; R308-S310 PolarHBondContact O-N 3.31Å; R308-D311 PolarHBondContact O-N 3.36Å
309	M	85.2	Confident	84.8	Confident	26 Å²	26	47 Å²	47	13%	0.128	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-20.8	174.5	-67.2	-172.2	-67.5	0	0	113.1	R242 L243 H246 E305 I306	R242-M309 HydrophobicContact CB-SD 3.8Å; L243-M309 HydrophobicContact CB-CB 4.1Å; L243-M309 HydrophobicContact CD1-CB 3.96Å; L243-M309 HydrophobicContact CD1-CE 4.24Å; H246-M309 HydrophobicContact CB-CE 4.45Å; E305-M309 HydrophobicContact CG-CE 4.14Å; E305-M309 WeakPolarHBondContact O-CG 3.15Å; E305-M309 PolarHBondContact O-N 3.12Å; I306-M309 HydrophobicContact CB-CE 4.48Å; I306-M309 HydrophobicContact CG1-CE 3.98Å; I306-M309 PolarHBondContact O-N 2.88Å
310	S	82.9	Confident	83.9	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.063	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	13.6	177.8	75.7	0	0	0	0	114.4	I306 N307 R308 G312 R313	I306-S310 WeakPolarHBondContact O-CB 3.45Å; I306-S310 PolarHBondContact O-N 2.84Å; I306-S310 PolarHBondContact O-OG 3.42Å; N307-S310 WeakPolarHBondContact CA-OG 3.35Å; N307-S310 CarbonylContact O-C 3.32Å; N307-S310 PolarHBondContact O-N 3.04Å; N307-S310 VanDerWaalsContact O-N 3.15Å; N307-S310 PolarHBondContact O-OG 2.85Å; R308-S310 PolarHBondContact O-N 3.31Å; S310-G312 PolarHBondContact O-N 2.95Å; S310-R313 WeakPolarHBondContact O-CB 3.26Å; S310-R313 PolarHBondContact O-N 3.27Å
311	D	78.8	Confident	83	Confident	114 Å²	114	43.3 Å²	43.3	61%	0.61	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.5	-176.1	-56.3	-46.9	0	0	0	113.5	N307 R308 R313 W326	N307-D311 PolarHBondContact O-N 3.25Å; R308-D311 PolarHBondContact O-N 3.36Å; D311-R313 VanDerWaalsContact C-N 3.29Å; D311-R313 PolarHBondContact O-N 3.3Å; D311-W326 WeakPolarHBondContact O-CB 3.4Å
312	G	79.9	Confident	81.6	Confident	6 Å²	6	41.6 Å²	41.6	6%	0.062	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	6.2	179.1	0	0	0	0	0	115.1	N307 S310 L314 K315 H316	N307-G312 PolarHBondContact O-N 3.4Å; N307-G312 WeakPolarHBondContact OD1-CA 3.36Å; N307-G312 PolarHBondContact OD1-O 2.93Å; S310-G312 PolarHBondContact O-N 2.95Å; G312-L314 PolarHBondContact O-N 3.42Å; G312-K315 PolarHBondContact O-N 2.98Å; G312-H316 WeakPolarHBondContact O-CB 3.42Å; G312-H316 PolarHBondContact O-N 3.5Å
313	R	80.6	Confident	80	Confident	51 Å²	51	42.5 Å²	42.5	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-37.6	-175	-170	163.8	-177.4	-175.9	3.5	113.3	Y268 V269 G271 S310 D311 H316 L317	Y268-R313 PolarHBondContact OH-NH2 3.38Å; V269-R313 VanDerWaalsContact O-CD 3.28Å; V269-R313 WeakPolarHBondContact O-CD 3.19Å; G271-R313 PolarHBondContact O-NH2 3.35Å; S310-R313 WeakPolarHBondContact O-CB 3.26Å; S310-R313 PolarHBondContact O-N 3.27Å; D311-R313 VanDerWaalsContact C-N 3.29Å; D311-R313 PolarHBondContact O-N 3.3Å; R313-H316 PolarHBondContact O-N 2.74Å; R313-L317 HydrophobicContact CG-CD1 4.09Å; R313-L317 VanDerWaalsContact O-CG 3.28Å; R313-L317 WeakPolarHBondContact O-CG 3.48Å; R313-L317 PolarHBondContact O-N 3.08Å
314	L	85.6	Confident	78.7	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-52	176.2	176.4	63	0	0	0	111	L259 T303 G312 H316 L317 L318 F351	L259-L314 HydrophobicContact CD2-CD2 3.77Å; T303-L314 HydrophobicContact CG2-CD2 4.03Å; G312-L314 PolarHBondContact O-N 3.42Å; L314-H316 PolarHBondContact O-N 3.46Å; L314-L317 PolarHBondContact O-N 3.03Å; L314-L318 HydrophobicContact CD1-CD1 4.15Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 3.32Å; L314-F351 HydrophobicContact CD2-CZ 4.16Å; L314-F351 HydrophobicContact CG-CE1 4.48Å; L314-F351 HydrophobicContact CG-CZ 4.32Å
315	K	84.4	Confident	77.7	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-37.5	179.6	-163.3	173	170.3	168.2	0	111.8	N307 G312 L317 L318 A319 W326 L334 F351 M352 E353	N307-K315 WeakPolarHBondContact OD1-CB 3.35Å; N307-K315 PolarHBondContact OD1-N 3.2Å; G312-K315 PolarHBondContact O-N 2.98Å; K315-L317 PolarHBondContact O-N 2.97Å; K315-L318 PolarHBondContact O-N 3.48Å; K315-A319 WeakPolarHBondContact O-CB 3.33Å; K315-A319 PolarHBondContact O-N 2.83Å; K315-W326 HydrophobicContact CB-CE3 4.22Å; K315-W326 HydrophobicContact CB-CH2 4.5Å; K315-W326 HydrophobicContact CB-CZ3 3.65Å; K315-W326 HydrophobicContact CD-CH2 3.53Å; K315-W326 HydrophobicContact CD-CZ3 3.55Å; K315-W326 HydrophobicContact CG-CH2 4.06Å; K315-W326 HydrophobicContact CG-CZ3 3.55Å; K315-L334 HydrophobicContact CD-CD1 4.48Å; K315-L334 VanDerWaalsContact CE-CD1 3.5Å; K315-F351 HydrophobicContact CB-CE1 3.93Å; K315-F351 HydrophobicContact CB-CZ 3.82Å; K315-F351 HydrophobicContact CD-CE1 4.48Å; K315-F351 HydrophobicContact CD-CZ 4.37Å; K315-F351 WeakPolarHBondContact CD-O 3.32Å; K315-F351 WeakPolarHBondContact CE-O 3.49Å; K315-F351 HydrophobicContact CG-CE1 3.97Å; K315-F351 HydrophobicContact CG-CZ 4.16Å; K315-F351 PolarHBondContact NZ-O 3.36Å; K315-M352 HydrophobicContact CG-SD 4.16Å; K315-E353 PolarHBondContact NZ-O 2.85Å
316	H	79.9	Confident	76.8	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-46.2	174.4	168.6	79.7	0	0	0	112.8	G312 R313 L314 A319 G320 S321 S323 G324 E325 W326 T330	G312-H316 WeakPolarHBondContact O-CB 3.42Å; G312-H316 PolarHBondContact O-N 3.5Å; R313-H316 PolarHBondContact O-N 2.74Å; L314-H316 PolarHBondContact O-N 3.46Å; H316-A319 PolarHBondContact O-N 3.2Å; H316-G320 PolarHBondContact O-N 2.87Å; H316-G320 VanDerWaalsContact O-N 3.14Å; H316-S321 WeakPolarHBondContact CE1-CB 3.3Å; H316-S321 PolarHBondContact CE1-O 3.38Å; H316-S321 PolarHBondContact CE1-OG 3.29Å; H316-S321 WeakPolarHBondContact ND1-CB 3.43Å; H316-S321 PolarHBondContact NE2-O 2.96Å; H316-S321 PolarHBondContact O-N 2.64Å; H316-S323 PolarHBondContact CE1-OG 3.2Å; H316-G324 PolarHBondContact CE1-N 3.23Å; H316-G324 VanDerWaalsContact NE2-C 3.25Å; H316-G324 WeakPolarHBondContact NE2-CA 3.26Å; H316-G324 PolarHBondContact NE2-N 2.97Å; H316-E325 PolarHBondContact CE1-O 3.07Å; H316-E325 PolarHBondContact ND1-O 3Å; H316-W326 HydrophobicContact CB-CE3 4.47Å; H316-T330 HydrophobicContact CB-CG2 4.29Å; H316-T330 PolarHBondContact ND1-OG1 2.83Å
317	L	77.4	Confident	76.1	Confident	23 Å²	23	47.3 Å²	47.3	12%	0.12	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-37.1	-179.6	-71.4	166.8	0	0	0	112.6	Y268 V275 I291 R313 L314 K315 G320	Y268-L317 HydrophobicContact CD1-CD1 3.5Å; Y268-L317 VanDerWaalsContact CD1-CD1 3.5Å; Y268-L317 HydrophobicContact CE1-CD1 4.23Å; Y268-L317 HydrophobicContact CG-CD1 4.46Å; Y268-L317 WeakPolarHBondContact O-CD1 3.48Å; V275-L317 HydrophobicContact CG1-CD2 4.05Å; I291-L317 HydrophobicContact CD1-CD2 4.49Å; I291-L317 HydrophobicContact CG2-CB 4.35Å; R313-L317 HydrophobicContact CG-CD1 4.09Å; R313-L317 VanDerWaalsContact O-CG 3.28Å; R313-L317 WeakPolarHBondContact O-CG 3.48Å; R313-L317 PolarHBondContact O-N 3.08Å; L314-L317 PolarHBondContact O-N 3.03Å; K315-L317 PolarHBondContact O-N 2.97Å; L317-G320 PolarHBondContact O-N 3.21Å
318	L	80.3	Confident	75.5	Confident	15 Å²	15	52.7 Å²	52.7	8%	0.079	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-37.9	175	-68.9	168.3	0	0	0	111.6	Y267 K293 D294 L314 K315 G320 F351 M352	Y267-L318 HydrophobicContact CD1-CD2 4.46Å; K293-L318 VanDerWaalsContact C-CD2 3.47Å; K293-L318 WeakPolarHBondContact O-CD2 3.4Å; D294-L318 WeakPolarHBondContact O-CD2 3.31Å; L314-L318 HydrophobicContact CD1-CD1 4.15Å; L314-L318 HydrophobicContact CG-CD1 4.17Å; L314-L318 WeakPolarHBondContact O-CG 3.46Å; L314-L318 PolarHBondContact O-N 3.32Å; K315-L318 PolarHBondContact O-N 3.48Å; L318-G320 PolarHBondContact O-N 3.33Å; L318-F351 HydrophobicContact CD1-CD1 4.2Å; L318-F351 HydrophobicContact CD1-CE1 3.7Å; L318-M352 HydrophobicContact CB-CE 3.9Å; L318-M352 HydrophobicContact CB-SD 3.81Å; L318-M352 HydrophobicContact CD1-SD 4.35Å
319	A	76.3	Confident	74.8	Confident	11 Å²	11	47.9 Å²	47.9	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-19.3	173.9	0	0	0	0	0	113.1	K315 H316 S321 T330 L334 M352	K315-A319 WeakPolarHBondContact O-CB 3.33Å; K315-A319 PolarHBondContact O-N 2.83Å; H316-A319 PolarHBondContact O-N 3.2Å; A319-S321 VanDerWaalsContact C-N 3.33Å; A319-S321 PolarHBondContact O-N 3.49Å; A319-T330 HydrophobicContact CB-CG2 4.09Å; A319-L334 HydrophobicContact CB-CD2 3.8Å; A319-L334 HydrophobicContact CB-CG 4.2Å; A319-M352 HydrophobicContact CB-CE 4.23Å
320	G	70.9	Confident	74.2	Confident	50 Å²	50	46.6 Å²	46.6	52%	0.515	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	28	-179.1	0	0	0	0	0	114	H316 L317 L318	H316-G320 PolarHBondContact O-N 2.87Å; H316-G320 VanDerWaalsContact O-N 3.14Å; L317-G320 PolarHBondContact O-N 3.21Å; L318-G320 PolarHBondContact O-N 3.33Å
321	S	67.4	Low	74.1	Confident	11 Å²	11	47.6 Å²	47.6	8%	0.077	26%	0.263	C	S	.	.			trans	-69.1	142.8	178.6	168.5	0	0	0	0	111.5	H316 A319 S323 T330	H316-S321 WeakPolarHBondContact CE1-CB 3.3Å; H316-S321 PolarHBondContact CE1-O 3.38Å; H316-S321 PolarHBondContact CE1-OG 3.29Å; H316-S321 WeakPolarHBondContact ND1-CB 3.43Å; H316-S321 PolarHBondContact NE2-O 2.96Å; H316-S321 PolarHBondContact O-N 2.64Å; A319-S321 VanDerWaalsContact C-N 3.33Å; A319-S321 PolarHBondContact O-N 3.49Å; S321-S323 VanDerWaalsContact C-N 3.31Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 2.93Å; S321-S323 PolarHBondContact OG-OG 3.47Å; S321-T330 WeakPolarHBondContact CB-OG1 3.36Å; S321-T330 PolarHBondContact OG-OG1 3.39Å
322	P	59.8	Low	74.2	Confident	125 Å²	125	47.8 Å²	47.8	81%	0.812	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.7	-178.6	31.9	-35.8	0	0	0	114.3	G324	P322-G324 VanDerWaalsContact C-N 3.31Å; P322-G324 PolarHBondContact O-N 3.16Å
323	S	57.5	Low	74.2	Confident	49 Å²	49	49.6 Å²	49.6	34%	0.343	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.1	-171.9	51.7	0	0	0	0	114.8	H316 S321 E325 T327 T330	H316-S323 PolarHBondContact CE1-OG 3.2Å; S321-S323 VanDerWaalsContact C-N 3.31Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 2.93Å; S321-S323 PolarHBondContact OG-OG 3.47Å; S323-E325 PolarHBondContact O-N 2.87Å; S323-E325 VanDerWaalsContact O-N 3.09Å; S323-E325 PolarHBondContact OG-O 3.25Å; S323-T327 PolarHBondContact OG-OG1 3.01Å; S323-T330 PolarHBondContact OG-OG1 2.92Å
324	G	62.4	Low	74.4	Confident	18 Å²	18	47.4 Å²	47.4	19%	0.186	26%	0.257	C	S	.	.	S	Bend	trans	76.1	-21.7	-174.6	0	0	0	0	0	115.2	H316 P322	H316-G324 PolarHBondContact CE1-N 3.23Å; H316-G324 VanDerWaalsContact NE2-C 3.25Å; H316-G324 WeakPolarHBondContact NE2-CA 3.26Å; H316-G324 PolarHBondContact NE2-N 2.97Å; P322-G324 VanDerWaalsContact C-N 3.31Å; P322-G324 PolarHBondContact O-N 3.16Å
325	E	67.1	Low	74.3	Confident	132 Å²	132	50.9 Å²	50.9	62%	0.617	27%	0.274	S	S	*	.	S	Bend	trans	-133.8	161.2	-177	-70.9	169.3	-166.2	0	0	111.4	H316 S323 T327 T330	H316-E325 PolarHBondContact CE1-O 3.07Å; H316-E325 PolarHBondContact ND1-O 3Å; S323-E325 PolarHBondContact O-N 2.87Å; S323-E325 VanDerWaalsContact O-N 3.09Å; S323-E325 PolarHBondContact OG-O 3.25Å; E325-T327 PolarHBondContact O-N 3.27Å; E325-T330 PolarHBondContact O-OG1 3.35Å
326	W	72	Confident	74.3	Confident	84 Å²	84	54.3 Å²	54.3	32%	0.318	30%	0.296	S	S	.	.			trans	-67.5	100	174.6	-175.7	-90.4	0	0	0	110.9	D311 K315 H316 T330 E331 L334	D311-W326 WeakPolarHBondContact O-CB 3.4Å; K315-W326 HydrophobicContact CB-CE3 4.22Å; K315-W326 HydrophobicContact CB-CH2 4.5Å; K315-W326 HydrophobicContact CB-CZ3 3.65Å; K315-W326 HydrophobicContact CD-CH2 3.53Å; K315-W326 HydrophobicContact CD-CZ3 3.55Å; K315-W326 HydrophobicContact CG-CH2 4.06Å; K315-W326 HydrophobicContact CG-CZ3 3.55Å; H316-W326 HydrophobicContact CB-CE3 4.47Å; W326-T330 HydrophobicContact CE3-CG2 3.91Å; W326-T330 HydrophobicContact CZ3-CG2 3.91Å; W326-E331 HydrophobicContact CZ2-CG 3.98Å; W326-E331 WeakPolarHBondContact CZ2-OE1 3.27Å; W326-L334 HydrophobicContact CH2-CD1 3.8Å; W326-L334 HydrophobicContact CZ3-CD1 4.18Å
327	T	75.1	Confident	74.4	Confident	41 Å²	41	57.2 Å²	57.2	25%	0.252	31%	0.311	S	S	.	.			trans	-119.1	170	176.7	69.4	0	0	0	0	111.7	S323 E325 E329 T330 E331	S323-T327 PolarHBondContact OG-OG1 3.01Å; E325-T327 PolarHBondContact O-N 3.27Å; T327-E329 WeakPolarHBondContact CB-OE2 3.38Å; T327-E329 PolarHBondContact O-N 3.06Å; T327-E329 VanDerWaalsContact O-N 3.15Å; T327-E329 PolarHBondContact OG1-N 3.38Å; T327-E329 PolarHBondContact OG1-OE2 3.33Å; T327-T330 PolarHBondContact N-OG1 2.84Å; T327-T330 WeakPolarHBondContact O-CA 3.34Å; T327-T330 VanDerWaalsContact O-CB 3.24Å; T327-T330 WeakPolarHBondContact O-CB 3.31Å; T327-T330 PolarHBondContact O-N 3.26Å; T327-T330 PolarHBondContact O-OG1 3.39Å; T327-E331 PolarHBondContact O-N 3.07Å
328	Q	75.1	Confident	74.7	Confident	134 Å²	134	56.9 Å²	56.9	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-58	-27.3	174.8	-163.9	-171.9	35.8	0	0	112.6	T330 E331 R332	Q328-T330 VanDerWaalsContact C-N 3.29Å; Q328-E331 PolarHBondContact O-N 2.89Å; Q328-R332 PolarHBondContact O-N 3.31Å; Q328-R332 VanDerWaalsContact O-N 3.07Å
329	E	71.3	Confident	74.9	Confident	84 Å²	84	64.4 Å²	64.4	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-36.6	172.1	-67.4	65.2	-142.8	0	0	111.7	T327 R332 V333	T327-E329 WeakPolarHBondContact CB-OE2 3.38Å; T327-E329 PolarHBondContact O-N 3.06Å; T327-E329 VanDerWaalsContact O-N 3.15Å; T327-E329 PolarHBondContact OG1-N 3.38Å; T327-E329 PolarHBondContact OG1-OE2 3.33Å; E329-R332 WeakPolarHBondContact O-CB 3.38Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE1-CZ 3.83Å; E329-R332 IonicContact OE1-NH1 2.71Å; E329-R332 IonicContact OE1-NH2 3.96Å; E329-R332 PolarHBondContact OE1-NH2 3.47Å; E329-V333 WeakPolarHBondContact O-CG2 3.41Å; E329-V333 PolarHBondContact O-N 3.28Å
330	T	74.4	Confident	75.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-41.5	178	-52.1	0	0	0	0	110.6	H316 A319 S321 S323 E325 W326 T327 Q328 V333 L334	H316-T330 HydrophobicContact CB-CG2 4.29Å; H316-T330 PolarHBondContact ND1-OG1 2.83Å; A319-T330 HydrophobicContact CB-CG2 4.09Å; S321-T330 WeakPolarHBondContact CB-OG1 3.36Å; S321-T330 PolarHBondContact OG-OG1 3.39Å; S323-T330 PolarHBondContact OG-OG1 2.92Å; E325-T330 PolarHBondContact O-OG1 3.35Å; W326-T330 HydrophobicContact CE3-CG2 3.91Å; W326-T330 HydrophobicContact CZ3-CG2 3.91Å; T327-T330 PolarHBondContact N-OG1 2.84Å; T327-T330 WeakPolarHBondContact O-CA 3.34Å; T327-T330 VanDerWaalsContact O-CB 3.24Å; T327-T330 WeakPolarHBondContact O-CB 3.31Å; T327-T330 PolarHBondContact O-N 3.26Å; T327-T330 PolarHBondContact O-OG1 3.39Å; Q328-T330 VanDerWaalsContact C-N 3.29Å; T330-V333 PolarHBondContact O-N 3.48Å; T330-L334 WeakPolarHBondContact O-CG 3.45Å; T330-L334 PolarHBondContact O-N 2.81Å
331	E	80.9	Confident	75.9	Confident	29 Å²	29	71.1 Å²	71.1	14%	0.136	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-40.7	172.2	-80	-72.6	-175.6	0	0	112.5	W326 T327 Q328 V333 L334 Q335 C355	W326-E331 HydrophobicContact CZ2-CG 3.98Å; W326-E331 WeakPolarHBondContact CZ2-OE1 3.27Å; T327-E331 PolarHBondContact O-N 3.07Å; Q328-E331 PolarHBondContact O-N 2.89Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 3.14Å; E331-L334 PolarHBondContact O-N 3.35Å; E331-Q335 VanDerWaalsContact O-CG 3.29Å; E331-Q335 WeakPolarHBondContact O-CG 3.47Å; E331-Q335 PolarHBondContact O-N 3.16Å; E331-C355 VanDerWaalsContact OE1-CB 3.31Å; E331-C355 WeakPolarHBondContact OE1-CB 3.4Å; E331-C355 PolarHBondContact OE1-SG 3.06Å; E331-C355 VanDerWaalsContact OE1-SG 3.38Å; E331-C355 PolarHBondContact OE2-N 3.26Å
332	R	79.8	Confident	76.6	Confident	118 Å²	118	78.5 Å²	78.5	45%	0.445	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-40.1	174.8	-74.2	-176.2	-116.3	147.1	1.8	111.8	Q328 E329 Q335 V336	Q328-R332 PolarHBondContact O-N 3.31Å; Q328-R332 VanDerWaalsContact O-N 3.07Å; E329-R332 WeakPolarHBondContact O-CB 3.38Å; E329-R332 PolarHBondContact O-N 2.88Å; E329-R332 IonicContact OE1-CZ 3.83Å; E329-R332 IonicContact OE1-NH1 2.71Å; E329-R332 IonicContact OE1-NH2 3.96Å; E329-R332 PolarHBondContact OE1-NH2 3.47Å; R332-Q335 PolarHBondContact O-N 3.08Å; R332-V336 VanDerWaalsContact O-CG2 3.32Å; R332-V336 WeakPolarHBondContact O-CG2 3.41Å; R332-V336 PolarHBondContact O-N 2.79Å
333	V	80.9	Confident	77.7	Confident	45 Å²	45	79 Å²	79	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-61.5	-47.8	175.1	173	0	0	0	0	110.4	E329 T330 E331 Q335 V336 D337	E329-V333 WeakPolarHBondContact O-CG2 3.41Å; E329-V333 PolarHBondContact O-N 3.28Å; T330-V333 PolarHBondContact O-N 3.48Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 3.14Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 3.04Å; V333-V336 PolarHBondContact O-N 3.26Å; V333-V336 VanDerWaalsContact O-N 3.16Å; V333-D337 PolarHBondContact O-N 2.96Å
334	L	83.5	Confident	79.1	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-40.3	176.9	-68.9	173.4	0	0	0	112.5	K315 A319 W326 T330 E331 D337 A338 M352 P354	K315-L334 HydrophobicContact CD-CD1 4.48Å; K315-L334 VanDerWaalsContact CE-CD1 3.5Å; A319-L334 HydrophobicContact CB-CD2 3.8Å; A319-L334 HydrophobicContact CB-CG 4.2Å; W326-L334 HydrophobicContact CH2-CD1 3.8Å; W326-L334 HydrophobicContact CZ3-CD1 4.18Å; T330-L334 WeakPolarHBondContact O-CG 3.45Å; T330-L334 PolarHBondContact O-N 2.81Å; E331-L334 PolarHBondContact O-N 3.35Å; L334-D337 PolarHBondContact O-N 2.89Å; L334-A338 WeakPolarHBondContact O-CB 3.47Å; L334-A338 PolarHBondContact O-N 2.72Å; L334-M352 HydrophobicContact CD2-CE 3.55Å; L334-P354 HydrophobicContact CB-CB 4.16Å
335	Q	84	Confident	80	Confident	76 Å²	76	83.3 Å²	83.3	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-63.9	-39.6	175.7	-72.8	173.5	6.3	0	0	112.5	E331 R332 V333 R339 P354	E331-Q335 VanDerWaalsContact O-CG 3.29Å; E331-Q335 WeakPolarHBondContact O-CG 3.47Å; E331-Q335 PolarHBondContact O-N 3.16Å; R332-Q335 PolarHBondContact O-N 3.08Å; V333-Q335 VanDerWaalsContact C-N 3.33Å; V333-Q335 PolarHBondContact O-N 3.04Å; Q335-R339 VanDerWaalsContact O-CG 3.3Å; Q335-R339 WeakPolarHBondContact O-CG 3.49Å; Q335-R339 PolarHBondContact O-N 2.83Å; Q335-R339 VanDerWaalsContact O-N 3.12Å; Q335-P354 HydrophobicContact CG-CB 3.72Å; Q335-P354 HydrophobicContact CG-CG 4.24Å
336	V	84.3	Confident	80.7	Confident	91 Å²	91	82.7 Å²	82.7	55%	0.552	40%	0.401	S	S	*	.	H	α-helix	trans	-68.4	-44.8	177.2	170.9	0	0	0	0	110.7	R332 V333 R339 R340	R332-V336 VanDerWaalsContact O-CG2 3.32Å; R332-V336 WeakPolarHBondContact O-CG2 3.41Å; R332-V336 PolarHBondContact O-N 2.79Å; V333-V336 PolarHBondContact O-N 3.26Å; V333-V336 VanDerWaalsContact O-N 3.16Å; V336-R339 PolarHBondContact O-N 2.83Å; V336-R340 WeakPolarHBondContact O-CB 3.2Å; V336-R340 PolarHBondContact O-N 2.78Å
337	D	81.5	Confident	81	Confident	62 Å²	62	87.5 Å²	87.5	33%	0.332	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-38.9	178.2	-76.6	-18.7	0	0	0	111.8	V333 L334 R340 L341	V333-D337 PolarHBondContact O-N 2.96Å; L334-D337 PolarHBondContact O-N 2.89Å; D337-R340 PolarHBondContact O-N 3.11Å; D337-L341 WeakPolarHBondContact O-CB 3.47Å; D337-L341 WeakPolarHBondContact O-CG 3.45Å; D337-L341 PolarHBondContact O-N 3.18Å
338	A	84.4	Confident	81.3	Confident	15 Å²	15	87.6 Å²	87.6	12%	0.124	43%	0.428	C	S	.	.	H	α-helix	trans	-60.3	-46.8	174.9	0	0	0	0	0	112.1	L334 L341 F342 I348 P354	L334-A338 WeakPolarHBondContact O-CB 3.47Å; L334-A338 PolarHBondContact O-N 2.72Å; A338-L341 PolarHBondContact O-N 3.29Å; A338-F342 WeakPolarHBondContact O-CB 3.42Å; A338-F342 PolarHBondContact O-N 2.99Å; A338-I348 VanDerWaalsContact CA-CD1 3.41Å; A338-I348 HydrophobicContact CB-CD1 3.41Å; A338-I348 VanDerWaalsContact CB-CD1 3.41Å; A338-P354 HydrophobicContact CB-CG 4.13Å
339	R	83.9	Confident	81.7	Confident	173 Å²	173	84.7 Å²	84.7	65%	0.653	41%	0.414	S	S	*	.	H	α-helix	trans	-60.8	-45.6	175.3	-74.1	172.8	-174.8	-176.2	2.9	111.5	Q335 V336 L341 F342 D343	Q335-R339 VanDerWaalsContact O-CG 3.3Å; Q335-R339 WeakPolarHBondContact O-CG 3.49Å; Q335-R339 PolarHBondContact O-N 2.83Å; Q335-R339 VanDerWaalsContact O-N 3.12Å; V336-R339 PolarHBondContact O-N 2.83Å; R339-L341 PolarHBondContact O-N 2.84Å; R339-F342 WeakPolarHBondContact O-CB 3.47Å; R339-F342 PolarHBondContact O-N 2.57Å; R339-D343 VanDerWaalsContact O-CG 3.31Å; R339-D343 PolarHBondContact O-N 3.1Å
340	R	84.2	Confident	82.3	Confident	151 Å²	151	84.1 Å²	84.1	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-61.4	-43.6	178.4	-178.3	-175.4	169.5	179.1	1.3	112.3	V336 D337 F342 D343 E344	V336-R340 WeakPolarHBondContact O-CB 3.2Å; V336-R340 PolarHBondContact O-N 2.78Å; D337-R340 PolarHBondContact O-N 3.11Å; R340-F342 VanDerWaalsContact C-N 3.34Å; R340-D343 PolarHBondContact O-N 3.22Å; R340-E344 IonicContact CZ-OE1 3.71Å; R340-E344 IonicContact NE-OE1 3Å; R340-E344 PolarHBondContact NE-OE1 3.18Å; R340-E344 IonicContact NH2-OE1 3.52Å; R340-E344 WeakPolarHBondContact O-CG 3.24Å; R340-E344 PolarHBondContact O-N 2.89Å
341	L	83.6	Confident	82.9	Confident	51 Å²	51	84.2 Å²	84.2	27%	0.267	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-37.5	178.5	-74.6	169.5	0	0	0	111.8	D337 A338 R339 E344 G345 K346 I348	D337-L341 WeakPolarHBondContact O-CB 3.47Å; D337-L341 WeakPolarHBondContact O-CG 3.45Å; D337-L341 PolarHBondContact O-N 3.18Å; A338-L341 PolarHBondContact O-N 3.29Å; R339-L341 PolarHBondContact O-N 2.84Å; L341-E344 CarbonylContact O-C 3.58Å; L341-E344 PolarHBondContact O-N 2.89Å; L341-G345 PolarHBondContact O-N 3.32Å; L341-G345 VanDerWaalsContact O-N 3.11Å; L341-K346 CarbonylContact C-O 3.49Å; L341-K346 HydrophobicContact CB-CB 4.47Å; L341-K346 HydrophobicContact CD2-CB 3.87Å; L341-K346 HydrophobicContact CD2-CD 3.9Å; L341-K346 PolarHBondContact O-N 2.92Å; L341-I348 HydrophobicContact CB-CG1 3.99Å; L341-I348 HydrophobicContact CD1-CG1 3.83Å
342	F	82.1	Confident	83.1	Confident	166 Å²	166	84.3 Å²	84.3	73%	0.728	42%	0.419	S	S	*	.	H	α-helix	trans	-60.7	-46.6	172.7	-175.9	-93.9	0	0	0	111.7	A338 R339 R340 E344 G345	A338-F342 WeakPolarHBondContact O-CB 3.42Å; A338-F342 PolarHBondContact O-N 2.99Å; R339-F342 WeakPolarHBondContact O-CB 3.47Å; R339-F342 PolarHBondContact O-N 2.57Å; R340-F342 VanDerWaalsContact C-N 3.34Å; F342-E344 VanDerWaalsContact C-N 3.28Å; F342-E344 PolarHBondContact O-N 3.28Å; F342-G345 PolarHBondContact O-N 2.87Å
343	D	83.7	Confident	83.2	Confident	137 Å²	137	83.4 Å²	83.4	73%	0.733	42%	0.42	S	S	*	.	H	α-helix	trans	-63.3	-33.3	176.4	-67.5	-20.6	0	0	0	112.4	R339 R340 G345	R339-D343 VanDerWaalsContact O-CG 3.31Å; R339-D343 PolarHBondContact O-N 3.1Å; R340-D343 PolarHBondContact O-N 3.22Å; D343-G345 VanDerWaalsContact C-N 3.29Å; D343-G345 PolarHBondContact O-N 3.31Å
344	E	86.3	Confident	83.1	Confident	86 Å²	86	82.7 Å²	82.7	40%	0.402	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.7	175.4	-70.2	-179.6	-163.7	0	0	113.5	R340 L341 F342 K346	R340-E344 IonicContact CZ-OE1 3.71Å; R340-E344 IonicContact NE-OE1 3Å; R340-E344 PolarHBondContact NE-OE1 3.18Å; R340-E344 IonicContact NH2-OE1 3.52Å; R340-E344 WeakPolarHBondContact O-CG 3.24Å; R340-E344 PolarHBondContact O-N 2.89Å; L341-E344 CarbonylContact O-C 3.58Å; L341-E344 PolarHBondContact O-N 2.89Å; F342-E344 VanDerWaalsContact C-N 3.28Å; F342-E344 PolarHBondContact O-N 3.28Å; E344-K346 VanDerWaalsContact C-N 3.3Å; E344-K346 HydrophobicContact CB-CD 4.3Å; E344-K346 HydrophobicContact CB-CG 4.39Å; E344-K346 PolarHBondContact O-N 3.07Å; E344-K346 WeakPolarHBondContact OE2-CE 3.48Å; E344-K346 IonicContact OE2-NZ 2.82Å; E344-K346 PolarHBondContact OE2-NZ 3.47Å
345	G	81.8	Confident	82.5	Confident	71 Å²	71	86.3 Å²	86.3	73%	0.732	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	24.6	-177.8	0	0	0	0	0	114.4	L341 F342 D343	L341-G345 PolarHBondContact O-N 3.32Å; L341-G345 VanDerWaalsContact O-N 3.11Å; F342-G345 PolarHBondContact O-N 2.87Å; D343-G345 VanDerWaalsContact C-N 3.29Å; D343-G345 PolarHBondContact O-N 3.31Å
346	K	82.4	Confident	81.2	Confident	118 Å²	118	90.5 Å²	90.5	51%	0.513	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-102.4	140.9	179.2	-68.2	173.8	-175.8	161	0	110.4	L341 E344	L341-K346 CarbonylContact C-O 3.49Å; L341-K346 HydrophobicContact CB-CB 4.47Å; L341-K346 HydrophobicContact CD2-CB 3.87Å; L341-K346 HydrophobicContact CD2-CD 3.9Å; L341-K346 PolarHBondContact O-N 2.92Å; E344-K346 VanDerWaalsContact C-N 3.3Å; E344-K346 HydrophobicContact CB-CD 4.3Å; E344-K346 HydrophobicContact CB-CG 4.39Å; E344-K346 PolarHBondContact O-N 3.07Å; E344-K346 WeakPolarHBondContact OE2-CE 3.48Å; E344-K346 IonicContact OE2-NZ 2.82Å; E344-K346 PolarHBondContact OE2-NZ 3.47Å
347	M	77.2	Confident	79.6	Confident	185 Å²	185	90.5 Å²	90.5	91%	0.911	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-77	139.8	174.6	-64.8	-176.4	73	0	0	111
348	I	81.2	Confident	77.8	Confident	44 Å²	44	95.9 Å²	95.9	23%	0.226	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-84.6	142.5	173.4	-55.3	159.9	0	0	0	108	A338 L341 M352 E353	A338-I348 VanDerWaalsContact CA-CD1 3.41Å; A338-I348 HydrophobicContact CB-CD1 3.41Å; A338-I348 VanDerWaalsContact CB-CD1 3.41Å; L341-I348 HydrophobicContact CB-CG1 3.99Å; L341-I348 HydrophobicContact CD1-CG1 3.83Å; I348-M352 HydrophobicContact CG2-CB 4.2Å; I348-E353 HydrophobicContact CB-CG 4.47Å; I348-E353 HydrophobicContact CG2-CG 4.08Å
349	H	83.6	Confident	75.4	Confident	73 Å²	73	102.9 Å²	102.9	34%	0.338	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-69.4	134.6	173.4	-172.8	-81.4	0	0	0	109.7	P295 F351 M352 E353	P295-H349 HydrophobicContact CB-CB 4.4Å; P295-H349 HydrophobicContact CG-CB 3.92Å; H349-F351 VanDerWaalsContact C-N 3.27Å; H349-F351 WeakPolarHBondContact ND1-CB 3.43Å; H349-F351 PolarHBondContact ND1-N 2.92Å; H349-F351 PolarHBondContact O-N 3.5Å; H349-F351 VanDerWaalsContact O-N 3.1Å; H349-M352 WeakPolarHBondContact O-CA 3.33Å; H349-M352 PolarHBondContact O-N 2.75Å; H349-E353 PolarHBondContact O-N 2.8Å
350	P	84.7	Confident	73.6	Confident	72 Å²	72	97.5 Å²	97.5	47%	0.468	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-50	-42.4	-175.6	-30.8	35.7	0	0	0	114.4	L300 M352 E353	L300-P350 HydrophobicContact CD1-CB 4.29Å; L300-P350 HydrophobicContact CD2-CB 3.91Å; P350-M352 PolarHBondContact O-N 3.4Å; P350-E353 PolarHBondContact O-N 3.04Å
351	F	86.1	Confident	71.7	Confident	2 Å²	2	93.3 Å²	93.3	1%	0.009	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.6	175.9	-177.1	-108.7	0	0	0	114.6	L300 T303 E304 N307 L314 K315 L318 H349	L300-F351 HydrophobicContact CD1-CB 3.61Å; L300-F351 HydrophobicContact CD1-CD2 4.12Å; L300-F351 HydrophobicContact CD1-CG 4.37Å; T303-F351 HydrophobicContact CG2-CD1 4.22Å; T303-F351 HydrophobicContact CG2-CD2 3.73Å; T303-F351 HydrophobicContact CG2-CE1 4.14Å; T303-F351 HydrophobicContact CG2-CE2 3.63Å; T303-F351 HydrophobicContact CG2-CG 4.02Å; T303-F351 HydrophobicContact CG2-CZ 3.84Å; E304-F351 HydrophobicContact CG-CD2 3.9Å; E304-F351 HydrophobicContact CG-CE2 4.12Å; N307-F351 HydrophobicContact CB-CE2 3.87Å; N307-F351 HydrophobicContact CB-CZ 3.83Å; L314-F351 HydrophobicContact CD2-CZ 4.16Å; L314-F351 HydrophobicContact CG-CE1 4.48Å; L314-F351 HydrophobicContact CG-CZ 4.32Å; K315-F351 HydrophobicContact CB-CE1 3.93Å; K315-F351 HydrophobicContact CB-CZ 3.82Å; K315-F351 HydrophobicContact CD-CE1 4.48Å; K315-F351 HydrophobicContact CD-CZ 4.37Å; K315-F351 WeakPolarHBondContact CD-O 3.32Å; K315-F351 WeakPolarHBondContact CE-O 3.49Å; K315-F351 HydrophobicContact CG-CE1 3.97Å; K315-F351 HydrophobicContact CG-CZ 4.16Å; K315-F351 PolarHBondContact NZ-O 3.36Å; L318-F351 HydrophobicContact CD1-CD1 4.2Å; L318-F351 HydrophobicContact CD1-CE1 3.7Å; H349-F351 VanDerWaalsContact C-N 3.27Å; H349-F351 WeakPolarHBondContact ND1-CB 3.43Å; H349-F351 PolarHBondContact ND1-N 2.92Å; H349-F351 PolarHBondContact O-N 3.5Å; H349-F351 VanDerWaalsContact O-N 3.1Å
352	M	85	Confident	69.8	Low	31 Å²	31	99.3 Å²	99.3	15%	0.153	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-95.6	5	-176.7	-66.9	-61	-71.3	0	0	113	K315 L318 A319 L334 I348 H349 P350	K315-M352 HydrophobicContact CG-SD 4.16Å; L318-M352 HydrophobicContact CB-CE 3.9Å; L318-M352 HydrophobicContact CB-SD 3.81Å; L318-M352 HydrophobicContact CD1-SD 4.35Å; A319-M352 HydrophobicContact CB-CE 4.23Å; L334-M352 HydrophobicContact CD2-CE 3.55Å; I348-M352 HydrophobicContact CG2-CB 4.2Å; H349-M352 WeakPolarHBondContact O-CA 3.33Å; H349-M352 PolarHBondContact O-N 2.75Å; P350-M352 PolarHBondContact O-N 3.4Å
353	E	83.2	Confident	68.2	Low	98 Å²	98	97.2 Å²	97.2	46%	0.458	51%	0.511	S	S	.	.	S	Bend	trans	-65.2	136.2	173	-69.1	-176.4	177	0	0	109.8	K315 I348 H349 P350	K315-E353 PolarHBondContact NZ-O 2.85Å; I348-E353 HydrophobicContact CB-CG 4.47Å; I348-E353 HydrophobicContact CG2-CG 4.08Å; H349-E353 PolarHBondContact O-N 2.8Å; P350-E353 PolarHBondContact O-N 3.04Å
354	P	79.2	Confident	66.7	Low	31 Å²	31	92.3 Å²	92.3	20%	0.201	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-61.2	145.7	171.8	26.5	-32.4	0	0	0	108.5	L334 Q335 A338 Q356	L334-P354 HydrophobicContact CB-CB 4.16Å; Q335-P354 HydrophobicContact CG-CB 3.72Å; Q335-P354 HydrophobicContact CG-CG 4.24Å; A338-P354 HydrophobicContact CB-CG 4.13Å; P354-Q356 PolarHBondContact O-N 3.39Å
355	C	69.9	Low	64.8	Low	79 Å²	79	95.9 Å²	95.9	53%	0.534	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-57.5	119.1	173.6	-80.3	0	0	0	0	108.3	E331 P357	E331-C355 VanDerWaalsContact OE1-CB 3.31Å; E331-C355 WeakPolarHBondContact OE1-CB 3.4Å; E331-C355 PolarHBondContact OE1-SG 3.06Å; E331-C355 VanDerWaalsContact OE1-SG 3.38Å; E331-C355 PolarHBondContact OE2-N 3.26Å; C355-P357 WeakPolarHBondContact O-CD 3.32Å
356	Q	57	Low	63.5	Low	165 Å²	165	97.3 Å²	97.3	77%	0.771	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-55.6	124.5	167.1	-69.3	-98.3	-6.9	0	0	105.5	P354 E358	P354-Q356 PolarHBondContact O-N 3.39Å; Q356-E358 VanDerWaalsContact C-N 3.33Å; Q356-E358 PolarHBondContact O-N 3.49Å
357	P	51.8	Low	62.4	Low	91 Å²	91	98 Å²	98	59%	0.591	50%	0.495	S	S	*	.			trans	-59.9	107.5	168.6	24	-28	0	0	0	105.4	C355 D359	C355-P357 WeakPolarHBondContact O-CD 3.32Å; P357-D359 PolarHBondContact O-N 2.99Å; P357-D359 VanDerWaalsContact O-N 3.11Å
358	E	42.5	Very low	61.3	Low	174 Å²	174	95.2 Å²	95.2	81%	0.813	48%	0.479	S	S	*	.			trans	-40.8	125	167.4	-63.5	-178.4	-168	0	0	106.8	Q356 T360	Q356-E358 VanDerWaalsContact C-N 3.33Å; Q356-E358 PolarHBondContact O-N 3.49Å; E358-T360 WeakPolarHBondContact O-CA 3.47Å; E358-T360 WeakPolarHBondContact O-CB 3.42Å; E358-T360 WeakPolarHBondContact O-CG2 3.36Å; E358-T360 PolarHBondContact O-N 2.98Å; E358-T360 PolarHBondContact O-OG1 3.22Å
359	D	33.6	Very low	59.9	Low	162 Å²	162	99 Å²	99	87%	0.866	49%	0.494	S	S	*	.	S	Bend	trans	-30.8	80.5	-168.2	-91	-42.5	0	0	0	113.2	P357 S361	P357-D359 PolarHBondContact O-N 2.99Å; P357-D359 VanDerWaalsContact O-N 3.11Å; D359-S361 PolarHBondContact O-N 3.36Å
360	T	47.5	Very low	58.8	Low	61 Å²	61	97.5 Å²	97.5	37%	0.374	50%	0.495	S	S	.	.			trans	-104.3	63.2	178.5	30.7	0	0	0	0	104.9	E358 W362 A364 R365	E358-T360 WeakPolarHBondContact O-CA 3.47Å; E358-T360 WeakPolarHBondContact O-CB 3.42Å; E358-T360 WeakPolarHBondContact O-CG2 3.36Å; E358-T360 PolarHBondContact O-N 2.98Å; E358-T360 PolarHBondContact O-OG1 3.22Å; T360-W362 PolarHBondContact O-N 3.35Å; T360-A364 HydrophobicContact CG2-CB 4.35Å; T360-R365 HydrophobicContact CG2-CG 3.8Å
361	S	42.8	Very low	57.4	Low	63 Å²	63	102.7 Å²	102.7	44%	0.441	51%	0.505	S	S	.	.			trans	-35.3	133.4	147.2	173.1	0	0	0	0	107.2	D359 K363 A364 R365	D359-S361 PolarHBondContact O-N 3.36Å; S361-K363 CarbonylContact O-C 3.53Å; S361-K363 PolarHBondContact O-N 3.31Å; S361-A364 PolarHBondContact O-N 3.11Å; S361-R365 PolarHBondContact O-N 3.1Å
362	W	45.1	Very low	55.7	Low	177 Å²	177	109.4 Å²	109.4	67%	0.67	53%	0.53	S	S	*	.	H	α-helix	trans	-47.6	-25.1	178.4	62.7	-89.7	0	0	0	112	T360 L366	T360-W362 PolarHBondContact O-N 3.35Å; W362-L366 HydrophobicContact CE3-CD1 3.6Å; W362-L366 HydrophobicContact CZ3-CD1 3.64Å; W362-L366 WeakPolarHBondContact O-CB 3.44Å; W362-L366 PolarHBondContact O-N 3.34Å
363	K	46.9	Very low	54.2	Low	121 Å²	121	111.2 Å²	111.2	53%	0.526	54%	0.54	S	S	.	.	H	α-helix	trans	-58.6	-51.2	167.5	-77	-174.9	170.3	-177	0	114.8	S361 R365 L366 E367	S361-K363 CarbonylContact O-C 3.53Å; S361-K363 PolarHBondContact O-N 3.31Å; K363-R365 VanDerWaalsContact C-N 3.31Å; K363-R365 PolarHBondContact O-N 3.05Å; K363-L366 CarbonylContact O-C 3.59Å; K363-L366 PolarHBondContact O-N 3.32Å; K363-E367 PolarHBondContact O-N 3.06Å
364	A	52	Low	52.8	Low	35 Å²	35	111.8 Å²	111.8	29%	0.289	54%	0.543	S	S	.	.	H	α-helix	trans	-68	-31.4	-179.3	0	0	0	0	0	112.1	T360 S361 H368	T360-A364 HydrophobicContact CG2-CB 4.35Å; S361-A364 PolarHBondContact O-N 3.11Å; A364-H368 VanDerWaalsContact O-CB 3.31Å; A364-H368 WeakPolarHBondContact O-CB 3.37Å; A364-H368 PolarHBondContact O-N 3.47Å
365	R	46.9	Very low	51.3	Low	160 Å²	160	116 Å²	116	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-68.8	-40.8	171	-74.7	173.7	99.7	152.7	4.6	111.8	T360 S361 K363 F369	T360-R365 HydrophobicContact CG2-CG 3.8Å; S361-R365 PolarHBondContact O-N 3.1Å; K363-R365 VanDerWaalsContact C-N 3.31Å; K363-R365 PolarHBondContact O-N 3.05Å; R365-F369 VanDerWaalsContact O-CB 3.31Å; R365-F369 WeakPolarHBondContact O-CB 3.44Å; R365-F369 PolarHBondContact O-N 3.32Å
366	L	54.3	Low	49.9	Very low	102 Å²	102	117.8 Å²	117.8	53%	0.534	57%	0.567	S	S	.	*	H	α-helix	trans	-66.3	-39.4	173.5	-103.2	159.7	0	0	0	112.2	W362 K363 F369 A370	W362-L366 HydrophobicContact CE3-CD1 3.6Å; W362-L366 HydrophobicContact CZ3-CD1 3.64Å; W362-L366 WeakPolarHBondContact O-CB 3.44Å; W362-L366 PolarHBondContact O-N 3.34Å; K363-L366 CarbonylContact O-C 3.59Å; K363-L366 PolarHBondContact O-N 3.32Å; L366-F369 PolarHBondContact O-N 3Å; L366-A370 WeakPolarHBondContact O-CA 3.19Å; L366-A370 WeakPolarHBondContact O-CB 3.43Å; L366-A370 PolarHBondContact O-N 3.42Å
367	E	60	Low	49.2	Very low	132 Å²	132	116.4 Å²	116.4	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-69.3	-38	176.4	-78.7	175.1	176.9	0	0	112.2	K363 A370 R371	K363-E367 PolarHBondContact O-N 3.06Å; E367-A370 PolarHBondContact O-N 3.36Å; E367-R371 WeakPolarHBondContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CG 3.46Å; E367-R371 PolarHBondContact O-N 3.11Å
368	H	53.2	Low	48.7	Very low	126 Å²	126	119.7 Å²	119.7	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-70.4	-37.3	173.1	-173.9	-75.1	0	0	0	111.6	A364 R372	A364-H368 VanDerWaalsContact O-CB 3.31Å; A364-H368 WeakPolarHBondContact O-CB 3.37Å; A364-H368 PolarHBondContact O-N 3.47Å; H368-R372 VanDerWaalsContact O-CB 3.23Å; H368-R372 WeakPolarHBondContact O-CB 3.24Å; H368-R372 PolarHBondContact O-N 3.33Å
369	F	51.7	Low	48.3	Very low	124 Å²	124	115.1 Å²	115.1	54%	0.544	55%	0.549	S	S	.	.	H	α-helix	trans	-68.5	-39.6	172.4	-124.5	-89.6	0	0	0	111.5	R365 L366 R372 I373	R365-F369 VanDerWaalsContact O-CB 3.31Å; R365-F369 WeakPolarHBondContact O-CB 3.44Å; R365-F369 PolarHBondContact O-N 3.32Å; L366-F369 PolarHBondContact O-N 3Å; F369-R372 CarbonylContact O-C 3.57Å; F369-R372 PolarHBondContact O-N 3.19Å; F369-I373 HydrophobicContact CD1-CD1 3.82Å; F369-I373 HydrophobicContact CD1-CG1 4.3Å; F369-I373 HydrophobicContact CE1-CD1 4.48Å; F369-I373 VanDerWaalsContact O-CB 3.31Å; F369-I373 WeakPolarHBondContact O-CB 3.35Å; F369-I373 WeakPolarHBondContact O-CG1 3.47Å; F369-I373 PolarHBondContact O-N 3.29Å
370	A	60.3	Low	48.6	Very low	42 Å²	42	115.6 Å²	115.6	35%	0.347	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-43	176.9	0	0	0	0	0	111.1	L366 E367 R372 I373 E374	L366-A370 WeakPolarHBondContact O-CA 3.19Å; L366-A370 WeakPolarHBondContact O-CB 3.43Å; L366-A370 PolarHBondContact O-N 3.42Å; E367-A370 PolarHBondContact O-N 3.36Å; A370-R372 VanDerWaalsContact C-N 3.3Å; A370-R372 PolarHBondContact O-N 2.82Å; A370-I373 CarbonylContact O-C 3.58Å; A370-I373 PolarHBondContact O-N 2.91Å; A370-E374 WeakPolarHBondContact O-CB 3.42Å; A370-E374 WeakPolarHBondContact O-CG 3.3Å; A370-E374 PolarHBondContact O-N 3.45Å
371	R	55.9	Low	48.4	Very low	181 Å²	181	117.7 Å²	117.7	68%	0.683	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-36.4	171	-86.4	-175.8	174.9	169.6	0.6	112.8	E367 I373 L375	E367-R371 WeakPolarHBondContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CG 3.46Å; E367-R371 PolarHBondContact O-N 3.11Å; R371-I373 VanDerWaalsContact C-N 3.35Å; R371-L375 VanDerWaalsContact O-CB 3.24Å; R371-L375 WeakPolarHBondContact O-CB 3.28Å; R371-L375 WeakPolarHBondContact O-CD1 3.48Å; R371-L375 WeakPolarHBondContact O-CG 3.46Å; R371-L375 PolarHBondContact O-N 3.05Å
372	R	51.3	Low	47.8	Very low	143 Å²	143	119 Å²	119	54%	0.54	56%	0.56	S	S	.	*	H	α-helix	trans	-76.5	-26.7	177.9	-153	165.1	87.1	137	6.8	111.9	H368 F369 A370 L376	H368-R372 VanDerWaalsContact O-CB 3.23Å; H368-R372 WeakPolarHBondContact O-CB 3.24Å; H368-R372 PolarHBondContact O-N 3.33Å; F369-R372 CarbonylContact O-C 3.57Å; F369-R372 PolarHBondContact O-N 3.19Å; A370-R372 VanDerWaalsContact C-N 3.3Å; A370-R372 PolarHBondContact O-N 2.82Å; R372-L376 HydrophobicContact CG-CD1 4.45Å; R372-L376 VanDerWaalsContact O-CB 3.25Å; R372-L376 WeakPolarHBondContact O-CB 3.5Å; R372-L376 WeakPolarHBondContact O-CD1 3.38Å; R372-L376 WeakPolarHBondContact O-CG 3.19Å; R372-L376 PolarHBondContact O-N 3.44Å
373	I	53.9	Low	47.3	Very low	68 Å²	68	114.6 Å²	114.6	35%	0.349	56%	0.556	S	S	.	*	H	α-helix	trans	-76	-43.6	170.3	-73.7	169.7	0	0	0	109.7	F369 A370 R371 L375 L376 E377	F369-I373 HydrophobicContact CD1-CD1 3.82Å; F369-I373 HydrophobicContact CD1-CG1 4.3Å; F369-I373 HydrophobicContact CE1-CD1 4.48Å; F369-I373 VanDerWaalsContact O-CB 3.31Å; F369-I373 WeakPolarHBondContact O-CB 3.35Å; F369-I373 WeakPolarHBondContact O-CG1 3.47Å; F369-I373 PolarHBondContact O-N 3.29Å; A370-I373 CarbonylContact O-C 3.58Å; A370-I373 PolarHBondContact O-N 2.91Å; R371-I373 VanDerWaalsContact C-N 3.35Å; I373-L375 PolarHBondContact O-N 2.72Å; I373-L376 CarbonylContact O-C 3.55Å; I373-L376 WeakPolarHBondContact O-CA 3.2Å; I373-L376 PolarHBondContact O-N 3.5Å; I373-E377 HydrophobicContact CG2-CG 3.9Å; I373-E377 WeakPolarHBondContact CG2-OE1 3.28Å; I373-E377 WeakPolarHBondContact CG2-OE2 3.22Å; I373-E377 WeakPolarHBondContact O-CB 3.15Å; I373-E377 VanDerWaalsContact O-CG 3.24Å; I373-E377 WeakPolarHBondContact O-CG 3.42Å; I373-E377 PolarHBondContact O-N 3.11Å
374	E	53	Low	46.7	Very low	111 Å²	111	115.1 Å²	115.1	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-60.7	-41.5	172.6	-78.3	172.9	164.1	0	0	111.5	A370 L376 E377 E378	A370-E374 WeakPolarHBondContact O-CB 3.42Å; A370-E374 WeakPolarHBondContact O-CG 3.3Å; A370-E374 PolarHBondContact O-N 3.45Å; E374-L376 PolarHBondContact O-N 3.26Å; E374-E377 PolarHBondContact O-N 2.97Å; E374-E378 WeakPolarHBondContact O-CB 3.35Å; E374-E378 WeakPolarHBondContact O-CG 3.29Å; E374-E378 PolarHBondContact O-N 3.21Å
375	L	46.7	Very low	45.9	Very low	119 Å²	119	120 Å²	120	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-70.4	-16.8	172.5	-74.8	165.4	0	0	0	113.7	R371 I373	R371-L375 VanDerWaalsContact O-CB 3.24Å; R371-L375 WeakPolarHBondContact O-CB 3.28Å; R371-L375 WeakPolarHBondContact O-CD1 3.48Å; R371-L375 WeakPolarHBondContact O-CG 3.46Å; R371-L375 PolarHBondContact O-N 3.05Å; I373-L375 PolarHBondContact O-N 2.72Å
376	L	40.6	Very low	45.2	Very low	117 Å²	117	119 Å²	119	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-99.7	-13.2	174	-72.1	169.1	0	0	0	112.3	R372 I373 E374	R372-L376 HydrophobicContact CG-CD1 4.45Å; R372-L376 VanDerWaalsContact O-CB 3.25Å; R372-L376 WeakPolarHBondContact O-CB 3.5Å; R372-L376 WeakPolarHBondContact O-CD1 3.38Å; R372-L376 WeakPolarHBondContact O-CG 3.19Å; R372-L376 PolarHBondContact O-N 3.44Å; I373-L376 CarbonylContact O-C 3.55Å; I373-L376 WeakPolarHBondContact O-CA 3.2Å; I373-L376 PolarHBondContact O-N 3.5Å; E374-L376 PolarHBondContact O-N 3.26Å
377	E	44	Very low	43.9	Very low	135 Å²	135	119.8 Å²	119.8	63%	0.631	61%	0.606	S	S	*	*	H	α-helix	trans	-100.9	-24.1	178.3	-75.9	178.6	170.6	0	0	111.7	I373 E374 D379	I373-E377 HydrophobicContact CG2-CG 3.9Å; I373-E377 WeakPolarHBondContact CG2-OE1 3.28Å; I373-E377 WeakPolarHBondContact CG2-OE2 3.22Å; I373-E377 WeakPolarHBondContact O-CB 3.15Å; I373-E377 VanDerWaalsContact O-CG 3.24Å; I373-E377 WeakPolarHBondContact O-CG 3.42Å; I373-E377 PolarHBondContact O-N 3.11Å; E374-E377 PolarHBondContact O-N 2.97Å; E377-D379 VanDerWaalsContact C-N 3.33Å
378	E	41.4	Very low	42.4	Very low	161 Å²	161	117.6 Å²	117.6	75%	0.752	61%	0.61	S	S	*	*	S	Bend	trans	-78.5	-16.8	168.8	-73.8	-177	165.4	0	0	112.8	E374	E374-E378 WeakPolarHBondContact O-CB 3.35Å; E374-E378 WeakPolarHBondContact O-CG 3.29Å; E374-E378 PolarHBondContact O-N 3.21Å
379	D	33.7	Very low	41.2	Very low	78 Å²	78	118 Å²	118	42%	0.417	62%	0.624	S	S	.	*			trans	-99.4	69.2	169	-88.3	-31.7	0	0	0	110.6	E377 T381 L382	E377-D379 VanDerWaalsContact C-N 3.33Å; D379-T381 PolarHBondContact O-N 3.39Å; D379-L382 HydrophobicContact CB-CD1 4.09Å; D379-L382 HydrophobicContact CB-CG 4.42Å; D379-L382 PolarHBondContact O-N 3.35Å
380	E	40.2	Very low	40.1	Very low	172 Å²	172	121.9 Å²	121.9	80%	0.804	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	5.4	166.6	-86.9	-166.5	150.3	0	0	113.8
381	T	41.8	Very low	38.6	Very low	104 Å²	104	129.3 Å²	129.3	64%	0.638	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	-10.5	-179	61.9	0	0	0	0	114.6	D379	D379-T381 PolarHBondContact O-N 3.39Å
382	L	31.9	Very low	37.4	Very low	91 Å²	91	126.5 Å²	126.5	48%	0.476	67%	0.668	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107	-9.6	-174.4	-70.8	173.4	0	0	0	115.1	D379 N384 L385	D379-L382 HydrophobicContact CB-CD1 4.09Å; D379-L382 HydrophobicContact CB-CG 4.42Å; D379-L382 PolarHBondContact O-N 3.35Å; L382-N384 PolarHBondContact O-N 3.13Å; L382-L385 HydrophobicContact CD2-CD1 3.63Å; L382-L385 PolarHBondContact O-N 3.5Å
383	S	34.1	Very low	36.4	Very low	85 Å²	85	128 Å²	128	59%	0.594	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-4.2	177.1	51.3	0	0	0	0	114.5
384	N	33.8	Very low	35.4	Very low	132 Å²	132	129.8 Å²	129.8	71%	0.706	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-0.3	175.5	-71.9	-39.2	0	0	0	114.7	L382	L382-N384 PolarHBondContact O-N 3.13Å
385	L	35.2	Very low	34.5	Very low	136 Å²	136	130.8 Å²	130.8	71%	0.712	71%	0.713	S	S	*	*	S	Bend	trans	-100.5	-0.9	-172.9	-79.4	154.5	0	0	0	115.1	L382	L382-L385 HydrophobicContact CD2-CD1 3.63Å; L382-L385 PolarHBondContact O-N 3.5Å
386	V	31.3	Very low	33.6	Very low	140 Å²	140	136.3 Å²	136.3	85%	0.848	73%	0.726	S	S	*	*	S	Bend	trans	-100.8	2.8	-177.7	-177.3	0	0	0	0	112.9
387	T	28.9	Very low	33.2	Very low	119 Å²	119	135 Å²	135	73%	0.73	73%	0.732	S	S	*	*	S	Bend	trans	-105.2	114.8	178.4	-17	0	0	0	0	111.3
388	A	26.5	Very low	32.7	Very low	86 Å²	86	137.4 Å²	137.4	71%	0.711	75%	0.748	S	S	*	*			trans	-41.5	138.3	178.9	0	0	0	0	0	114.6	K390	A388-K390 PolarHBondContact O-N 3.32Å
389	P	29	Very low	32.5	Very low	133 Å²	133	134.9 Å²	134.9	86%	0.864	75%	0.748	S	S	*	*			trans	-81.3	110.9	178.6	31.4	-29.6	0	0	0	110.2
390	K	27.6	Very low	32.8	Very low	207 Å²	207	137 Å²	137	90%	0.9	77%	0.766	S	S	*	*			trans	-76.5	148.7	157	-73.8	-179.7	179.5	175.2	0	109.2	A388	A388-K390 PolarHBondContact O-N 3.32Å
391	K	30.5	Very low	32.4	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.857	77%	0.767	S	S	*	*			trans	-47.8	155.9	-177.1	-73.8	172.8	171.4	178.4	0	115.7
392	T	30.3	Very low	31.9	Very low	122 Å²	122	139 Å²	139	75%	0.748	78%	0.781	S	S	*	*			trans	86.1	121.2	148.3	45.4	0	0	0	0	122.6
393	E	30.9	Very low	32.4	Very low	176 Å²	176	140 Å²	140	82%	0.822	79%	0.793	S	S	*	*			trans	80.3	111.4	134.4	-70.6	177.7	172.1	0	0	124.1
394	S	31.7	Very low	32.6	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	80%	0.803	S	S	*	*				83.3	117.3	126.7	79.3	0	0	0	0	122.8
395	V	33.5	Very low	33.2	Very low	132 Å²	132	147.2 Å²	147.2	80%	0.8	81%	0.813	S	S	*	*			trans	93.5	120.3	130.3	177.1	0	0	0	0	122.3
396	R	29.2	Very low	34.2	Very low	235 Å²	235	144 Å²	144	89%	0.887	80%	0.802	S	S	*	*			trans	72.2	102	146	-92.6	175.4	166.8	168.5	-4.7	123.9
397	A	32.1	Very low	35.7	Very low	90 Å²	90	142.2 Å²	142.2	74%	0.744	79%	0.791	S	S	*	*				25.7	130.9	120.2	0	0	0	0	0	122.5
398	L	33.9	Very low	37.1	Very low	185 Å²	185	146.3 Å²	146.3	97%	0.969	79%	0.793	S	S	*	*			trans	-160.1	140.4	130.3	-93.6	136.5	0	0	0	110.1
399	S	35.7	Very low	39.1	Very low	107 Å²	107	144.8 Å²	144.8	75%	0.748	78%	0.781	S	S	*	*			trans	-117.2	-174.9	177.3	63.1	0	0	0	0	109.6
400	P	41	Very low	41.4	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	76%	0.755	S	S	*	*			cis	-137.1	157.9	-11.1	34.3	-14.5	0	0	0	115.7
401	S	31.4	Very low	43.5	Very low	118 Å²	118	136 Å²	136	83%	0.825	73%	0.731	S	S	*	*			trans	-153.5	136.9	146.6	57	0	0	0	0	109.5
402	E	31.6	Very low	45.8	Very low	200 Å²	200	134.1 Å²	134.1	94%	0.935	73%	0.725	S	S	*	*			trans	-70.9	134.2	-164	-66.4	175.8	141.8	0	0	114.7
403	P	41.4	Very low	48.3	Very low	113 Å²	113	130 Å²	130	73%	0.734	70%	0.701	S	S	*	*			trans	-119.5	166.9	165.1	36	-20	0	0	0	112.6
404	P	39.2	Very low	50.9	Low	122 Å²	122	128 Å²	128	79%	0.792	69%	0.692	S	S	*	*			trans	-73.4	145.7	-153.1	31.5	-33.1	0	0	0	112	S406	P404-S406 PolarHBondContact O-N 3.25Å; P404-S406 VanDerWaalsContact O-N 3.16Å
405	R	46.3	Very low	53.7	Low	246 Å²	246	126.3 Å²	126.3	93%	0.928	67%	0.67	S	S	*	*			trans	-43	123	175.2	-76.8	178.2	172.3	174.6	-2.4	110.3	V407	R405-V407 PolarHBondContact O-N 3.47Å
406	S	57.4	Low	56.4	Low	68 Å²	68	122.2 Å²	122.2	48%	0.476	64%	0.642	S	S	.	*			trans	-50.7	137.4	-169.7	77.9	0	0	0	0	112.7	P404 R408 A409 H410	P404-S406 PolarHBondContact O-N 3.25Å; P404-S406 VanDerWaalsContact O-N 3.16Å; S406-R408 PolarHBondContact O-N 3.34Å; S406-A409 WeakPolarHBondContact O-CB 3.49Å; S406-A409 PolarHBondContact O-N 2.87Å; S406-A409 PolarHBondContact OG-N 3.31Å; S406-H410 PolarHBondContact O-N 3.43Å
407	V	61.9	Low	59.2	Low	103 Å²	103	114.6 Å²	114.6	62%	0.624	62%	0.618	S	S	*	*	H	α-helix	trans	-48.6	-34.4	173.1	179.8	0	0	0	0	111.5	R405 A409 H410 H411	R405-V407 PolarHBondContact O-N 3.47Å; V407-A409 PolarHBondContact O-N 3.41Å; V407-H410 PolarHBondContact O-N 3.4Å; V407-H411 PolarHBondContact O-CD2 3.45Å; V407-H411 PolarHBondContact O-N 3.39Å; V407-H411 VanDerWaalsContact O-N 3.09Å
408	R	58	Low	62	Low	205 Å²	205	113.7 Å²	113.7	77%	0.774	60%	0.596	S	S	*	*	H	α-helix	trans	-60.2	-40.8	173.5	-81.3	-177.9	174.2	161.2	-0.7	114	S406 H410 H411 Q412	S406-R408 PolarHBondContact O-N 3.34Å; R408-H410 VanDerWaalsContact C-N 3.33Å; R408-H411 PolarHBondContact O-N 3.34Å; R408-Q412 WeakPolarHBondContact O-CG 3.36Å; R408-Q412 PolarHBondContact O-N 2.92Å
409	A	68.6	Low	64.8	Low	54 Å²	54	106 Å²	106	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-70.6	-31.1	177.7	0	0	0	0	0	111.8	S406 V407 S413	S406-A409 WeakPolarHBondContact O-CB 3.49Å; S406-A409 PolarHBondContact O-N 2.87Å; S406-A409 PolarHBondContact OG-N 3.31Å; V407-A409 PolarHBondContact O-N 3.41Å; A409-S413 PolarHBondContact O-N 3.08Å
410	H	77.7	Confident	67.3	Low	70 Å²	70	105 Å²	105	32%	0.324	54%	0.54	S	S	.	.	H	α-helix	trans	-67.5	-45.3	173.6	173.2	54.8	0	0	0	111.7	S406 V407 R408 Q412 S413 W415 H416	S406-H410 PolarHBondContact O-N 3.43Å; V407-H410 PolarHBondContact O-N 3.4Å; R408-H410 VanDerWaalsContact C-N 3.33Å; H410-Q412 PolarHBondContact O-N 3.42Å; H410-S413 VanDerWaalsContact O-CB 3.3Å; H410-S413 WeakPolarHBondContact O-CB 3.25Å; H410-S413 PolarHBondContact O-N 3.42Å; H410-S413 PolarHBondContact O-OG 3.04Å; H410-W415 AromaticContact CE1-CE3 3.51Å; H410-W415 AromaticContact CE1-CZ3 3.25Å; H410-W415 WeakPolarHBondContact CE1-CZ3 3.45Å; H410-W415 AromaticContact ND1-CE3 3.93Å; H410-W415 AromaticContact ND1-CZ3 3.84Å; H410-H416 AromaticContact CD2-ND1 3.63Å; H410-H416 AromaticContact CE1-ND1 3.58Å; H410-H416 AromaticContact NE2-CE1 3.92Å; H410-H416 AromaticContact NE2-CG 3.97Å; H410-H416 AromaticContact NE2-ND1 3.03Å; H410-H416 PolarHBondContact NE2-ND1 2.85Å; H410-H416 WeakPolarHBondContact O-CB 3.48Å
411	H	71.9	Confident	69.6	Low	86 Å²	86	107.4 Å²	107.4	40%	0.398	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-21.6	-179.3	-70.9	-161.3	0	0	0	113.2	V407 R408 H416	V407-H411 PolarHBondContact O-CD2 3.45Å; V407-H411 PolarHBondContact O-N 3.39Å; V407-H411 VanDerWaalsContact O-N 3.09Å; R408-H411 PolarHBondContact O-N 3.34Å; H411-H416 AromaticContact CD2-CE1 3.58Å; H411-H416 AromaticContact CD2-ND1 3.98Å; H411-H416 AromaticContact CD2-NE2 3.99Å; H411-H416 AromaticContact NE2-CE1 3.94Å
412	Q	77.7	Confident	72.6	Confident	157 Å²	157	104.2 Å²	104.2	73%	0.734	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.1	173.6	-66.7	178.3	-0.7	0	0	113.7	R408 H410	R408-Q412 WeakPolarHBondContact O-CG 3.36Å; R408-Q412 PolarHBondContact O-N 2.92Å; H410-Q412 PolarHBondContact O-N 3.42Å
413	S	84.2	Confident	75.2	Confident	35 Å²	35	102.7 Å²	102.7	25%	0.245	49%	0.494	C	S	.	.	S	Bend	trans	-71.8	143.6	-178.8	71.5	0	0	0	0	111.8	A409 H410 W415 H416 L417	A409-S413 PolarHBondContact O-N 3.08Å; H410-S413 VanDerWaalsContact O-CB 3.3Å; H410-S413 WeakPolarHBondContact O-CB 3.25Å; H410-S413 PolarHBondContact O-N 3.42Å; H410-S413 PolarHBondContact O-OG 3.04Å; S413-W415 PolarHBondContact O-N 3.24Å; S413-H416 PolarHBondContact O-N 2.92Å; S413-H416 WeakPolarHBondContact OG-CB 3.41Å; S413-H416 PolarHBondContact OG-N 3.44Å; S413-L417 PolarHBondContact O-N 3.33Å; S413-L417 VanDerWaalsContact O-N 3.11Å
414	E	85.2	Confident	77.1	Confident	135 Å²	135	104.3 Å²	104.3	63%	0.631	49%	0.494	S	S	*	.	H	α-helix	trans	-59.7	-30.5	178.3	-62.9	-152.3	125.7	0	0	112.6	Y418 F435	E414-Y418 WeakPolarHBondContact O-CB 3.24Å; E414-Y418 PolarHBondContact O-N 3.13Å; E414-F435 HydrophobicContact CB-CE1 4.37Å; E414-F435 HydrophobicContact CB-CZ 3.74Å
415	W	90.6	Very high	79.3	Confident	70 Å²	70	101.5 Å²	101.5	27%	0.265	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-44	174.3	176	57.2	0	0	0	112.2	H410 S413 Y418 N419 I430 L432 F435	H410-W415 AromaticContact CE1-CE3 3.51Å; H410-W415 AromaticContact CE1-CZ3 3.25Å; H410-W415 WeakPolarHBondContact CE1-CZ3 3.45Å; H410-W415 AromaticContact ND1-CE3 3.93Å; H410-W415 AromaticContact ND1-CZ3 3.84Å; S413-W415 PolarHBondContact O-N 3.24Å; W415-Y418 PolarHBondContact O-N 2.91Å; W415-N419 PolarHBondContact NE1-ND2 2.97Å; W415-N419 VanDerWaalsContact NE1-ND2 3.18Å; W415-N419 PolarHBondContact O-N 2.84Å; W415-I430 PolarHBondContact NE1-O 3.23Å; W415-L432 HydrophobicContact CB-CD1 4.21Å; W415-L432 HydrophobicContact CD2-CD1 4.09Å; W415-L432 HydrophobicContact CG-CD1 3.92Å; W415-F435 HydrophobicContact CB-CD1 3.74Å; W415-F435 HydrophobicContact CB-CE1 3.81Å; W415-F435 HydrophobicContact CB-CG 4.17Å; W415-F435 HydrophobicContact CB-CZ 4.3Å; W415-F435 AromaticContact CD1-CD1 3.93Å; W415-F435 AromaticContact CD1-CG 3.6Å; W415-F435 HydrophobicContact CG-CD1 4.18Å; W415-F435 HydrophobicContact CG-CG 4.26Å
416	H	88.4	Confident	80.9	Confident	46 Å²	46	95.7 Å²	95.7	21%	0.213	48%	0.476	C	S	.	.	H	α-helix	trans	-65.5	-47.5	177.6	-174.4	94.1	0	0	0	111.2	H410 H411 S413 Y418 N419 M420	H410-H416 AromaticContact CD2-ND1 3.63Å; H410-H416 AromaticContact CE1-ND1 3.58Å; H410-H416 AromaticContact NE2-CE1 3.92Å; H410-H416 AromaticContact NE2-CG 3.97Å; H410-H416 AromaticContact NE2-ND1 3.03Å; H410-H416 PolarHBondContact NE2-ND1 2.85Å; H410-H416 WeakPolarHBondContact O-CB 3.48Å; H411-H416 AromaticContact CD2-CE1 3.58Å; H411-H416 AromaticContact CD2-ND1 3.98Å; H411-H416 AromaticContact CD2-NE2 3.99Å; H411-H416 AromaticContact NE2-CE1 3.94Å; S413-H416 PolarHBondContact O-N 2.92Å; S413-H416 WeakPolarHBondContact OG-CB 3.41Å; S413-H416 PolarHBondContact OG-N 3.44Å; H416-Y418 VanDerWaalsContact C-N 3.29Å; H416-Y418 PolarHBondContact O-N 3.31Å; H416-N419 PolarHBondContact O-N 3.17Å; H416-M420 WeakPolarHBondContact O-CB 3.15Å; H416-M420 PolarHBondContact O-N 3.36Å
417	L	88.9	Confident	82.3	Confident	74 Å²	74	97 Å²	97	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-39.3	176.5	-66.1	174.1	0	0	0	112.1	S413 M420 R421	S413-L417 PolarHBondContact O-N 3.33Å; S413-L417 VanDerWaalsContact O-N 3.11Å; L417-M420 PolarHBondContact O-N 2.81Å; L417-R421 WeakPolarHBondContact O-CG 3.22Å; L417-R421 PolarHBondContact O-N 3.25Å
418	Y	91.6	Very high	83.5	Confident	72 Å²	72	99.9 Å²	99.9	28%	0.282	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-46.7	177	-178	-101.1	0	0	0	112.2	E414 W415 H416 M420 R421 R422 I430 F435	E414-Y418 WeakPolarHBondContact O-CB 3.24Å; E414-Y418 PolarHBondContact O-N 3.13Å; W415-Y418 PolarHBondContact O-N 2.91Å; H416-Y418 VanDerWaalsContact C-N 3.29Å; H416-Y418 PolarHBondContact O-N 3.31Å; Y418-M420 VanDerWaalsContact C-N 3.32Å; Y418-M420 PolarHBondContact O-N 2.66Å; Y418-R421 PolarHBondContact O-N 3.29Å; Y418-R422 VanDerWaalsContact CE1-CD 3.49Å; Y418-R422 HydrophobicContact CE1-CG 4.32Å; Y418-R422 WeakPolarHBondContact O-CG 3.41Å; Y418-R422 PolarHBondContact O-N 3.18Å; Y418-I430 HydrophobicContact CE1-CB 4.44Å; Y418-I430 HydrophobicContact CE1-CD1 3.87Å; Y418-F435 AromaticContact CD1-CD2 3.62Å; Y418-F435 HydrophobicContact CD1-CD2 3.62Å; Y418-F435 HydrophobicContact CD1-CE2 4.08Å; Y418-F435 HydrophobicContact CD2-CE2 4.3Å; Y418-F435 HydrophobicContact CE1-CD2 4.2Å; Y418-F435 AromaticContact CG-CD2 3.8Å; Y418-F435 HydrophobicContact CG-CD2 3.8Å; Y418-F435 AromaticContact CG-CE2 3.75Å; Y418-F435 HydrophobicContact CG-CE2 3.75Å
419	N	92.9	Very high	84.9	Confident	23 Å²	23	94.6 Å²	94.6	12%	0.123	48%	0.476	C	S	.	.	H	α-helix	trans	-66.7	-33.3	176	-83	-14.6	0	0	0	112.6	W415 H416 R422 K423 P429 I430	W415-N419 PolarHBondContact NE1-ND2 2.97Å; W415-N419 VanDerWaalsContact NE1-ND2 3.18Å; W415-N419 PolarHBondContact O-N 2.84Å; H416-N419 PolarHBondContact O-N 3.17Å; N419-R422 PolarHBondContact O-N 3.25Å; N419-K423 PolarHBondContact O-N 2.81Å; N419-P429 HydrophobicContact CB-CB 4.24Å; N419-I430 PolarHBondContact ND2-O 3.27Å; N419-I430 PolarHBondContact OD1-N 3.05Å; N419-I430 PolarHBondContact OD1-O 3.26Å
420	M	86.9	Confident	86	Confident	85 Å²	85	92.4 Å²	92.4	42%	0.419	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-44.1	173.9	-156.8	-168.6	88	0	0	111.4	H416 L417 Y418 R422 K423 M424	H416-M420 WeakPolarHBondContact O-CB 3.15Å; H416-M420 PolarHBondContact O-N 3.36Å; L417-M420 PolarHBondContact O-N 2.81Å; Y418-M420 VanDerWaalsContact C-N 3.32Å; Y418-M420 PolarHBondContact O-N 2.66Å; M420-R422 PolarHBondContact O-N 2.66Å; M420-K423 WeakPolarHBondContact O-CB 3.48Å; M420-K423 PolarHBondContact O-N 3.22Å; M420-M424 HydrophobicContact CE-CE 3.73Å; M420-M424 HydrophobicContact CE-SD 4.19Å; M420-M424 WeakPolarHBondContact O-CG 3.48Å; M420-M424 PolarHBondContact O-N 3.05Å
421	R	90.7	Very high	86.7	Confident	174 Å²	174	92.4 Å²	92.4	66%	0.657	46%	0.463	S	S	*	.	H	α-helix	trans	-64.1	-37.8	174.4	-70.3	179.4	-163.4	170.3	6.3	112.8	L417 Y418 K423 M424 A425	L417-R421 WeakPolarHBondContact O-CG 3.22Å; L417-R421 PolarHBondContact O-N 3.25Å; Y418-R421 PolarHBondContact O-N 3.29Å; R421-K423 VanDerWaalsContact C-N 3.34Å; R421-M424 PolarHBondContact O-N 3.5Å; R421-A425 PolarHBondContact O-N 3.35Å; R421-A425 VanDerWaalsContact O-N 3.1Å
422	R	92.8	Very high	87.5	Confident	50 Å²	50	92.3 Å²	92.3	19%	0.189	47%	0.465	C	S	.	.	H	α-helix	trans	-62.6	-42.2	174.1	-72	-178.6	66.6	89.4	-1.5	111.5	Y418 N419 M420 M424 A425 C426 L427 E428	Y418-R422 VanDerWaalsContact CE1-CD 3.49Å; Y418-R422 HydrophobicContact CE1-CG 4.32Å; Y418-R422 WeakPolarHBondContact O-CG 3.41Å; Y418-R422 PolarHBondContact O-N 3.18Å; N419-R422 PolarHBondContact O-N 3.25Å; M420-R422 PolarHBondContact O-N 2.66Å; R422-M424 PolarHBondContact O-N 2.87Å; R422-A425 CarbonylContact O-C 3.48Å; R422-A425 PolarHBondContact O-N 3Å; R422-A425 VanDerWaalsContact O-N 3.11Å; R422-C426 PolarHBondContact O-N 2.76Å; R422-L427 CarbonylContact C-O 3.38Å; R422-L427 HydrophobicContact CB-CB 4.11Å; R422-L427 PolarHBondContact O-N 2.9Å; R422-E428 PolarHBondContact NE-O 3.23Å; R422-E428 PolarHBondContact NH2-O 3.12Å
423	K	87.5	Confident	87.9	Confident	169 Å²	169	91.9 Å²	91.9	74%	0.735	46%	0.463	S	S	*	.	H	α-helix	trans	-62.4	-41.9	175.6	-163	178.8	-178.1	-175.3	0	112	N419 M420 R421 A425 C426	N419-K423 PolarHBondContact O-N 2.81Å; M420-K423 WeakPolarHBondContact O-CB 3.48Å; M420-K423 PolarHBondContact O-N 3.22Å; R421-K423 VanDerWaalsContact C-N 3.34Å; K423-A425 PolarHBondContact O-N 2.81Å; K423-C426 PolarHBondContact O-N 2.88Å
424	M	81.2	Confident	88	Confident	147 Å²	147	94.6 Å²	94.6	72%	0.724	47%	0.472	S	S	*	.	H	α-helix	trans	-63.1	-27.4	173.9	-73.1	-176.8	163.5	0	0	113.4	M420 R421 R422	M420-M424 HydrophobicContact CE-CE 3.73Å; M420-M424 HydrophobicContact CE-SD 4.19Å; M420-M424 WeakPolarHBondContact O-CG 3.48Å; M420-M424 PolarHBondContact O-N 3.05Å; R421-M424 PolarHBondContact O-N 3.5Å; R422-M424 PolarHBondContact O-N 2.87Å
425	A	85.1	Confident	88.4	Confident	62 Å²	62	89.5 Å²	89.5	51%	0.512	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	13.2	177.2	0	0	0	0	0	113.8	R421 R422 K423 L427	R421-A425 PolarHBondContact O-N 3.35Å; R421-A425 VanDerWaalsContact O-N 3.1Å; R422-A425 CarbonylContact O-C 3.48Å; R422-A425 PolarHBondContact O-N 3Å; R422-A425 VanDerWaalsContact O-N 3.11Å; K423-A425 PolarHBondContact O-N 2.81Å; A425-L427 VanDerWaalsContact C-N 3.27Å; A425-L427 HydrophobicContact CB-CD1 4.45Å; A425-L427 HydrophobicContact CB-CG 4.49Å; A425-L427 PolarHBondContact O-N 3.48Å
426	C	79.7	Confident	88.3	Confident	125 Å²	125	91.8 Å²	91.8	85%	0.845	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	32.2	-177.3	-56.9	0	0	0	0	114.8	R422 K423	R422-C426 PolarHBondContact O-N 2.76Å; K423-C426 PolarHBondContact O-N 2.88Å
427	L	86.9	Confident	88.2	Confident	95 Å²	95	96.4 Å²	96.4	50%	0.497	48%	0.481	S	S	.	.			trans	-106	145.7	174.8	-63	173.8	0	0	0	111	R422 A425	R422-L427 CarbonylContact C-O 3.38Å; R422-L427 HydrophobicContact CB-CB 4.11Å; R422-L427 PolarHBondContact O-N 2.9Å; A425-L427 VanDerWaalsContact C-N 3.27Å; A425-L427 HydrophobicContact CB-CD1 4.45Å; A425-L427 HydrophobicContact CB-CG 4.49Å; A425-L427 PolarHBondContact O-N 3.48Å
428	E	85.7	Confident	88	Confident	163 Å²	163	96.9 Å²	96.9	76%	0.762	48%	0.48	S	S	*	.			trans	-63.3	139	178.6	-65.8	-171.6	156.8	0	0	112.1	R422	R422-E428 PolarHBondContact NE-O 3.23Å; R422-E428 PolarHBondContact NH2-O 3.12Å
429	P	89.3	Confident	87.7	Confident	95 Å²	95	94.5 Å²	94.5	62%	0.617	48%	0.475	S	S	*	.			trans	-64.8	149.1	176.8	26.7	-32.4	0	0	0	111.7	N419	N419-P429 HydrophobicContact CB-CB 4.24Å
430	I	91	Very high	87.2	Confident	8 Å²	8	95.6 Å²	95.6	4%	0.041	49%	0.488	C	S	.	.			trans	-105	139.2	-174.1	-75.8	175.1	0	0	0	110.3	W415 Y418 N419 E434 F435 K438	W415-I430 PolarHBondContact NE1-O 3.23Å; Y418-I430 HydrophobicContact CE1-CB 4.44Å; Y418-I430 HydrophobicContact CE1-CD1 3.87Å; N419-I430 PolarHBondContact ND2-O 3.27Å; N419-I430 PolarHBondContact OD1-N 3.05Å; N419-I430 PolarHBondContact OD1-O 3.26Å; I430-E434 HydrophobicContact CG2-CB 3.31Å; I430-E434 HydrophobicContact CG2-CG 4.4Å; I430-F435 HydrophobicContact CG2-CB 4.45Å; I430-K438 HydrophobicContact CD1-CD 4.36Å
431	P	92	Very high	86.8	Confident	70 Å²	70	97.9 Å²	97.9	46%	0.455	50%	0.497	S	S	.	.			trans	-66.4	155.3	175.5	27.4	-34	0	0	0	112.2	E433 E434 F435	P431-E433 VanDerWaalsContact C-N 3.27Å; P431-E433 PolarHBondContact O-N 3.17Å; P431-E434 HydrophobicContact CG-CB 4.08Å; P431-E434 HydrophobicContact CG-CG 3.97Å; P431-E434 PolarHBondContact O-N 2.86Å; P431-E434 VanDerWaalsContact O-N 3.11Å; P431-F435 PolarHBondContact O-N 2.8Å; P431-F435 VanDerWaalsContact O-N 3.11Å
432	L	88.2	Confident	85.9	Confident	84 Å²	84	96.6 Å²	96.6	44%	0.44	50%	0.497	S	S	.	.	H	α-helix	trans	-54.2	-41	-175.3	-178.5	63.5	0	0	0	112.9	W415 E434 F435 E436	W415-L432 HydrophobicContact CB-CD1 4.21Å; W415-L432 HydrophobicContact CD2-CD1 4.09Å; W415-L432 HydrophobicContact CG-CD1 3.92Å; L432-E434 VanDerWaalsContact C-N 3.34Å; L432-E434 PolarHBondContact O-N 3.27Å; L432-F435 HydrophobicContact CD1-CD1 4.45Å; L432-F435 WeakPolarHBondContact O-CB 3.37Å; L432-F435 PolarHBondContact O-N 2.79Å; L432-E436 HydrophobicContact CD1-CG 4.45Å; L432-E436 WeakPolarHBondContact O-CG 3.3Å; L432-E436 PolarHBondContact O-N 2.72Å
433	E	86.4	Confident	84.8	Confident	147 Å²	147	104 Å²	104	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-61.8	-38.2	-180	-62.6	176.6	-177.2	0	0	113.2	P431 K437	P431-E433 VanDerWaalsContact C-N 3.27Å; P431-E433 PolarHBondContact O-N 3.17Å; E433-K437 WeakPolarHBondContact O-CG 3.42Å; E433-K437 PolarHBondContact O-N 2.87Å
434	E	87.5	Confident	83.8	Confident	92 Å²	92	103.7 Å²	103.7	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-75.6	-34.7	176.7	-82.2	-174.2	-159.8	0	0	112	I430 P431 L432 K437 K438	I430-E434 HydrophobicContact CG2-CB 3.31Å; I430-E434 HydrophobicContact CG2-CG 4.4Å; P431-E434 HydrophobicContact CG-CB 4.08Å; P431-E434 HydrophobicContact CG-CG 3.97Å; P431-E434 PolarHBondContact O-N 2.86Å; P431-E434 VanDerWaalsContact O-N 3.11Å; L432-E434 VanDerWaalsContact C-N 3.34Å; L432-E434 PolarHBondContact O-N 3.27Å; E434-K437 PolarHBondContact O-N 3.34Å; E434-K438 WeakPolarHBondContact O-CG 3.43Å; E434-K438 PolarHBondContact O-N 3.33Å
435	F	92.2	Very high	82.4	Confident	29 Å²	29	101 Å²	101	13%	0.127	52%	0.518	C	S	.	.	H	α-helix	trans	-62.7	-43.9	174.4	172.2	-100.2	0	0	0	111.2	E414 W415 Y418 I430 P431 L432 K437 K438 A439	E414-F435 HydrophobicContact CB-CE1 4.37Å; E414-F435 HydrophobicContact CB-CZ 3.74Å; W415-F435 HydrophobicContact CB-CD1 3.74Å; W415-F435 HydrophobicContact CB-CE1 3.81Å; W415-F435 HydrophobicContact CB-CG 4.17Å; W415-F435 HydrophobicContact CB-CZ 4.3Å; W415-F435 AromaticContact CD1-CD1 3.93Å; W415-F435 AromaticContact CD1-CG 3.6Å; W415-F435 HydrophobicContact CG-CD1 4.18Å; W415-F435 HydrophobicContact CG-CG 4.26Å; Y418-F435 AromaticContact CD1-CD2 3.62Å; Y418-F435 HydrophobicContact CD1-CD2 3.62Å; Y418-F435 HydrophobicContact CD1-CE2 4.08Å; Y418-F435 HydrophobicContact CD2-CE2 4.3Å; Y418-F435 HydrophobicContact CE1-CD2 4.2Å; Y418-F435 AromaticContact CG-CD2 3.8Å; Y418-F435 HydrophobicContact CG-CD2 3.8Å; Y418-F435 AromaticContact CG-CE2 3.75Å; Y418-F435 HydrophobicContact CG-CE2 3.75Å; I430-F435 HydrophobicContact CG2-CB 4.45Å; P431-F435 PolarHBondContact O-N 2.8Å; P431-F435 VanDerWaalsContact O-N 3.11Å; L432-F435 HydrophobicContact CD1-CD1 4.45Å; L432-F435 WeakPolarHBondContact O-CB 3.37Å; L432-F435 PolarHBondContact O-N 2.79Å; F435-K437 PolarHBondContact O-N 3.42Å; F435-K438 PolarHBondContact O-N 3.14Å; F435-A439 WeakPolarHBondContact O-CB 3.25Å; F435-A439 PolarHBondContact O-N 3.22Å
436	E	88.7	Confident	80.6	Confident	118 Å²	118	103.7 Å²	103.7	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-40.4	177.1	-72.1	-179.5	166.5	0	0	112.3	L432 A439 A440	L432-E436 HydrophobicContact CD1-CG 4.45Å; L432-E436 WeakPolarHBondContact O-CG 3.3Å; L432-E436 PolarHBondContact O-N 2.72Å; E436-A439 PolarHBondContact O-N 3.15Å; E436-A440 WeakPolarHBondContact O-CB 3.15Å; E436-A440 PolarHBondContact O-N 2.6Å
437	K	87	Confident	78.8	Confident	143 Å²	143	105 Å²	105	62%	0.622	53%	0.525	S	S	*	.	H	α-helix	trans	-59.5	-48.2	172.9	-75	176.2	-177	174.2	0	111.9	E433 E434 F435 A440 E441	E433-K437 WeakPolarHBondContact O-CG 3.42Å; E433-K437 PolarHBondContact O-N 2.87Å; E434-K437 PolarHBondContact O-N 3.34Å; F435-K437 PolarHBondContact O-N 3.42Å; K437-A440 PolarHBondContact O-N 2.93Å; K437-E441 PolarHBondContact O-N 2.8Å
438	K	84.9	Confident	76.9	Confident	83 Å²	83	111.6 Å²	111.6	36%	0.361	54%	0.544	S	S	.	.	H	α-helix	trans	-65.8	-38.3	178.5	-73	-179.5	179.2	179	0	112.8	I430 E434 F435 A440 E441 F442	I430-K438 HydrophobicContact CD1-CD 4.36Å; E434-K438 WeakPolarHBondContact O-CG 3.43Å; E434-K438 PolarHBondContact O-N 3.33Å; F435-K438 PolarHBondContact O-N 3.14Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-E441 PolarHBondContact O-N 3.29Å; K438-F442 PolarHBondContact O-N 3.48Å
439	A	84.7	Confident	74.9	Confident	23 Å²	23	112.3 Å²	112.3	19%	0.19	55%	0.552	C	S	.	*	H	α-helix	trans	-65.6	-36.8	175.5	0	0	0	0	0	111.7	F435 E436 R443	F435-A439 WeakPolarHBondContact O-CB 3.25Å; F435-A439 PolarHBondContact O-N 3.22Å; E436-A439 PolarHBondContact O-N 3.15Å; A439-R443 WeakPolarHBondContact O-CG 3.43Å; A439-R443 PolarHBondContact O-N 2.91Å; A439-R443 VanDerWaalsContact O-N 3.08Å
440	A	81.8	Confident	72.8	Confident	46 Å²	46	112 Å²	112	38%	0.38	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-40.9	175	0	0	0	0	0	112.5	E436 K437 K438 Q444	E436-A440 WeakPolarHBondContact O-CB 3.15Å; E436-A440 PolarHBondContact O-N 2.6Å; K437-A440 PolarHBondContact O-N 2.93Å; K438-A440 VanDerWaalsContact C-N 3.33Å; A440-Q444 WeakPolarHBondContact O-CG 3.38Å; A440-Q444 PolarHBondContact O-N 2.82Å
441	E	79.1	Confident	71.1	Confident	132 Å²	132	115 Å²	115	62%	0.617	58%	0.583	S	S	*	*	H	α-helix	trans	-63	-43.4	174	-72.4	173	176.2	0	0	111.9	K437 K438 R443 Q444 T445	K437-E441 PolarHBondContact O-N 2.8Å; K438-E441 PolarHBondContact O-N 3.29Å; E441-R443 PolarHBondContact O-N 3.47Å; E441-Q444 PolarHBondContact O-N 3.39Å; E441-T445 PolarHBondContact O-N 2.89Å; E441-T445 PolarHBondContact O-OG1 2.91Å
442	F	72.2	Confident	69.7	Low	148 Å²	148	117.2 Å²	117.2	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-38.1	179.9	-158.4	-94.8	0	0	0	112.3	K438 Q444 T445 M447	K438-F442 PolarHBondContact O-N 3.48Å; F442-Q444 VanDerWaalsContact C-N 3.26Å; F442-Q444 PolarHBondContact O-N 3.18Å; F442-T445 PolarHBondContact O-N 3.4Å; F442-T445 VanDerWaalsContact O-N 3.15Å; F442-M447 HydrophobicContact CE1-SD 4.12Å; F442-M447 HydrophobicContact CZ-SD 3.84Å
443	R	69.2	Low	69	Low	205 Å²	205	115.7 Å²	115.7	77%	0.774	58%	0.578	S	S	*	*	H	α-helix	trans	-66	-25.5	174.8	-73.8	178.2	-164.7	178.3	6.3	113.5	A439 E441 T445	A439-R443 WeakPolarHBondContact O-CG 3.43Å; A439-R443 PolarHBondContact O-N 2.91Å; A439-R443 VanDerWaalsContact O-N 3.08Å; E441-R443 PolarHBondContact O-N 3.47Å; R443-T445 VanDerWaalsContact C-N 3.32Å
444	Q	66	Low	68.9	Low	162 Å²	162	112 Å²	112	76%	0.757	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-7.7	176	-69.2	178.4	33.5	0	0	113	A440 E441 F442 P446	A440-Q444 WeakPolarHBondContact O-CG 3.38Å; A440-Q444 PolarHBondContact O-N 2.82Å; E441-Q444 PolarHBondContact O-N 3.39Å; F442-Q444 VanDerWaalsContact C-N 3.26Å; F442-Q444 PolarHBondContact O-N 3.18Å; Q444-P446 WeakPolarHBondContact O-CD 3.35Å
445	T	52.7	Low	68.8	Low	91 Å²	91	107.7 Å²	107.7	56%	0.558	54%	0.543	S	S	*	.	S	Bend	trans	-95.7	111.9	-179.9	-42.5	0	0	0	0	110	E441 F442 R443 M447	E441-T445 PolarHBondContact O-N 2.89Å; E441-T445 PolarHBondContact O-OG1 2.91Å; F442-T445 PolarHBondContact O-N 3.4Å; F442-T445 VanDerWaalsContact O-N 3.15Å; R443-T445 VanDerWaalsContact C-N 3.32Å; T445-M447 PolarHBondContact O-N 3.39Å
446	P	47	Very low	68.2	Low	118 Å²	118	114.8 Å²	114.8	77%	0.766	57%	0.573	S	S	*	*			trans	-70	98.4	179.1	26.4	-31.8	0	0	0	110.6	Q444 R448	Q444-P446 WeakPolarHBondContact O-CD 3.35Å; P446-R448 PolarHBondContact O-N 2.88Å; P446-R448 VanDerWaalsContact O-N 3.16Å
447	M	42	Very low	67.8	Low	152 Å²	152	112 Å²	112	75%	0.749	56%	0.562	S	S	*	*			trans	-67.4	108.5	170.7	-112.2	179.7	101	0	0	109.4	F442 T445 L449	F442-M447 HydrophobicContact CE1-SD 4.12Å; F442-M447 HydrophobicContact CZ-SD 3.84Å; T445-M447 PolarHBondContact O-N 3.39Å; M447-L449 PolarHBondContact O-N 2.71Å
448	R	47.2	Very low	67.6	Low	235 Å²	235	106.5 Å²	106.5	89%	0.887	54%	0.541	S	S	*	.			trans	-60.9	115.9	166.9	-68.8	176.6	174	164.9	-1.9	107.8	P446 A450	P446-R448 PolarHBondContact O-N 2.88Å; P446-R448 VanDerWaalsContact O-N 3.16Å; R448-A450 PolarHBondContact O-N 3.22Å
449	L	43.1	Very low	67.4	Low	178 Å²	178	109 Å²	109	93%	0.932	56%	0.559	S	S	*	*			trans	-53.6	102.5	173.1	-84.3	124.4	0	0	0	109.5	M447 A451	M447-L449 PolarHBondContact O-N 2.71Å; L449-A451 PolarHBondContact O-N 2.85Å
450	A	46.5	Very low	67.3	Low	89 Å²	89	112.6 Å²	112.6	74%	0.736	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-70.8	116.7	176.6	0	0	0	0	0	108.5	R448 E452	R448-A450 PolarHBondContact O-N 3.22Å; A450-E452 PolarHBondContact O-N 3.29Å
451	A	54.2	Low	67.4	Low	69 Å²	69	118.1 Å²	118.1	57%	0.57	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.3	178	0	0	0	0	0	110.2	L449 H453	L449-A451 PolarHBondContact O-N 2.85Å; A451-H453 PolarHBondContact O-CD2 3.49Å; A451-H453 PolarHBondContact O-N 3.2Å
452	E	64.2	Low	67.7	Low	117 Å²	117	113.4 Å²	113.4	55%	0.547	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.7	122.7	169.9	-63.2	-172.3	157.4	0	0	109.2	A450 R461	A450-E452 PolarHBondContact O-N 3.29Å; E452-R461 IonicContact OE1-NH1 3.64Å; E452-R461 IonicContact OE2-CZ 2.56Å; E452-R461 IonicContact OE2-NH1 3.54Å; E452-R461 PolarHBondContact OE2-NH1 3.35Å
453	H	73.6	Confident	67.9	Low	52 Å²	52	114.3 Å²	114.3	24%	0.241	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	117.7	176.8	-65.1	-67.5	0	0	0	109.5	A451 F462 F465 Y468	A451-H453 PolarHBondContact O-CD2 3.49Å; A451-H453 PolarHBondContact O-N 3.2Å; H453-F462 HydrophobicContact CB-CB 4.35Å; H453-F462 PolarHBondContact N-O 3.42Å; H453-F462 WeakPolarHBondContact O-CB 3.45Å; H453-F462 PolarHBondContact O-N 3.03Å; H453-F465 AromaticContact CE1-CD2 3.68Å; H453-F465 AromaticContact NE2-CD2 3.62Å; H453-Y468 HydrophobicContact CB-CD1 4.02Å; H453-Y468 HydrophobicContact CB-CD2 3.79Å; H453-Y468 HydrophobicContact CB-CE2 4.38Å; H453-Y468 HydrophobicContact CB-CG 3.58Å
454	L	82.3	Confident	68.4	Low	70 Å²	70	106.6 Å²	106.6	37%	0.366	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.7	-172.3	-151.9	147.5	0	0	0	110.5	K456 R461	L454-K456 PolarHBondContact O-N 2.89Å; L454-R461 HydrophobicContact CD1-CG 3.53Å; L454-R461 HydrophobicContact CG-CG 3.9Å
455	C	85.4	Confident	69	Low	2 Å²	2	105.7 Å²	105.7	1%	0.014	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	105.9	176.8	-178.3	0	0	0	0	110.6	L457 C458 N459 K460 F462 Y468 H471 H477	C455-L457 PolarHBondContact O-N 2.98Å; C455-C458 HydrophobicContact CB-CB 4.38Å; C455-C458 PolarHBondContact O-N 3.4Å; C455-C458 PolarHBondContact SG-N 3.33Å; C455-N459 WeakPolarHBondContact O-CA 3.3Å; C455-N459 PolarHBondContact O-N 3.34Å; C455-K460 PolarHBondContact N-O 3.5Å; C455-F462 HydrophobicContact CB-CE2 4.29Å; C455-Y468 HydrophobicContact CB-CE2 4.08Å; C455-H471 WeakPolarHBondContact CB-NE2 3.41Å; C455-H471 PolarHBondContact SG-NE2 3.49Å; C455-H477 PolarHBondContact SG-CE1 3.27Å; C455-H477 PolarHBondContact SG-ND1 3.27Å
456	K	80.4	Confident	70.4	Confident	177 Å²	177	108.5 Å²	108.5	77%	0.77	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	177.9	-63.3	-177.2	-178.6	179.1	0	114.5	L454	L454-K456 PolarHBondContact O-N 2.89Å
457	L	80.9	Confident	72.2	Confident	60 Å²	60	104.9 Å²	104.9	31%	0.314	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-31.2	179.9	-67.2	171.5	0	0	0	112.8	C455 V481 R484	C455-L457 PolarHBondContact O-N 2.98Å; L457-V481 HydrophobicContact CD1-CB 4.49Å; L457-V481 HydrophobicContact CD1-CG2 3.46Å; L457-V481 VanDerWaalsContact CD1-CG2 3.46Å; L457-R484 HydrophobicContact CD2-CB 4.37Å; L457-R484 HydrophobicContact CD2-CG 4.39Å
458	C	82.9	Confident	74.4	Confident	28 Å²	28	100 Å²	100	19%	0.189	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-4.6	-175.9	-63.8	0	0	0	0	113.2	C455 K460 H471	C455-C458 HydrophobicContact CB-CB 4.38Å; C455-C458 PolarHBondContact O-N 3.4Å; C455-C458 PolarHBondContact SG-N 3.33Å; C458-K460 VanDerWaalsContact C-N 3.26Å; C458-K460 HydrophobicContact CB-CG 4.27Å; C458-K460 PolarHBondContact O-N 2.82Å; C458-H471 VanDerWaalsContact SG-CE1 3.58Å
459	N	80.5	Confident	76.3	Confident	136 Å²	136	90 Å²	90	73%	0.727	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	42.1	-173.6	-68.3	-18.3	0	0	0	113.4	C455	C455-N459 WeakPolarHBondContact O-CA 3.3Å; C455-N459 PolarHBondContact O-N 3.34Å
460	K	83.2	Confident	78.4	Confident	98 Å²	98	87 Å²	87	43%	0.426	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.6	176.7	-66.6	-174.1	-178.8	-171.3	0	111.5	C455 C458 F462	C455-K460 PolarHBondContact N-O 3.5Å; C458-K460 VanDerWaalsContact C-N 3.26Å; C458-K460 HydrophobicContact CB-CG 4.27Å; C458-K460 PolarHBondContact O-N 2.82Å; K460-F462 HydrophobicContact CB-CD2 4.49Å; K460-F462 HydrophobicContact CB-CE2 3.52Å; K460-F462 HydrophobicContact CB-CZ 3.68Å; K460-F462 HydrophobicContact CD-CZ 4.22Å
461	R	84.1	Confident	80.5	Confident	162 Å²	162	83.3 Å²	83.3	61%	0.611	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.4	178.3	-71	175.5	160.8	-110.9	-4.5	110.1	E452 L454	E452-R461 IonicContact OE1-NH1 3.64Å; E452-R461 IonicContact OE2-CZ 2.56Å; E452-R461 IonicContact OE2-NH1 3.54Å; E452-R461 PolarHBondContact OE2-NH1 3.35Å; L454-R461 HydrophobicContact CD1-CG 3.53Å; L454-R461 HydrophobicContact CG-CG 3.9Å
462	F	84.5	Confident	82	Confident	32 Å²	32	83.1 Å²	83.1	14%	0.14	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.5	-178.8	-61.9	-87	0	0	0	110.6	H453 C455 K460 S467 Y468 H471	H453-F462 HydrophobicContact CB-CB 4.35Å; H453-F462 PolarHBondContact N-O 3.42Å; H453-F462 WeakPolarHBondContact O-CB 3.45Å; H453-F462 PolarHBondContact O-N 3.03Å; C455-F462 HydrophobicContact CB-CE2 4.29Å; K460-F462 HydrophobicContact CB-CD2 4.49Å; K460-F462 HydrophobicContact CB-CE2 3.52Å; K460-F462 HydrophobicContact CB-CZ 3.68Å; K460-F462 HydrophobicContact CD-CZ 4.22Å; F462-S467 WeakPolarHBondContact CD1-O 3.27Å; F462-Y468 HydrophobicContact CB-CD2 4.42Å; F462-Y468 AromaticContact CD2-CD2 3.58Å; F462-Y468 HydrophobicContact CD2-CD2 3.58Å; F462-Y468 HydrophobicContact CD2-CE2 4.4Å; F462-Y468 HydrophobicContact CD2-CG 4.48Å; F462-Y468 HydrophobicContact CE2-CD2 4.15Å; F462-Y468 HydrophobicContact CG-CD2 4.16Å; F462-H471 HydrophobicContact CD1-CB 4.38Å; F462-H471 HydrophobicContact CE1-CB 3.52Å; F462-H471 AromaticContact CE1-CG 3.94Å; F462-H471 HydrophobicContact CE2-CB 3.83Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.27Å; F462-H471 AromaticContact CE2-CG 3.52Å; F462-H471 HydrophobicContact CZ-CB 3.21Å; F462-H471 AromaticContact CZ-CD2 3.44Å; F462-H471 VanDerWaalsContact CZ-CD2 3.44Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.31Å; F462-H471 AromaticContact CZ-CG 3.09Å; F462-H471 AromaticContact CZ-ND1 3.66Å
463	H	75.2	Confident	83.1	Confident	167 Å²	167	85.2 Å²	85.2	77%	0.773	41%	0.414	S	S	*	.	S	Bend	trans	-90.8	-11.3	-178.2	-66.4	-68.1	0	0	0	113.8
464	S	79.7	Confident	83.7	Confident	44 Å²	44	84.7 Å²	84.7	31%	0.308	42%	0.417	S	S	.	.	S	Bend	trans	-129.7	143.2	173.8	169.1	0	0	0	0	110.5	E466 S467 Y468	S464-E466 PolarHBondContact O-N 3.49Å; S464-E466 PolarHBondContact OG-N 2.67Å; S464-S467 PolarHBondContact N-OG 3.34Å; S464-S467 PolarHBondContact O-N 3.22Å; S464-S467 PolarHBondContact O-OG 3.09Å; S464-Y468 PolarHBondContact O-N 3.46Å; S464-Y468 VanDerWaalsContact O-N 3.09Å
465	F	79.9	Confident	83.9	Confident	143 Å²	143	89.9 Å²	89.9	63%	0.627	44%	0.436	S	S	*	.	H	α-helix	trans	-59.1	-34	173.3	-175.8	-101.8	0	0	0	112.3	H453 Y468 G469	H453-F465 AromaticContact CE1-CD2 3.68Å; H453-F465 AromaticContact NE2-CD2 3.62Å; F465-Y468 WeakPolarHBondContact O-CB 3.41Å; F465-Y468 PolarHBondContact O-N 2.83Å; F465-G469 PolarHBondContact O-N 2.86Å
466	E	82	Confident	83.8	Confident	149 Å²	149	98.5 Å²	98.5	70%	0.696	47%	0.469	S	S	*	.	H	α-helix	trans	-64.7	-48.6	177.8	-65.3	158.7	166.9	0	0	110.7	S464 Y468 G469 D470	S464-E466 PolarHBondContact O-N 3.49Å; S464-E466 PolarHBondContact OG-N 2.67Å; E466-Y468 VanDerWaalsContact C-N 3.25Å; E466-Y468 PolarHBondContact O-N 3.22Å; E466-G469 WeakPolarHBondContact O-CA 3.35Å; E466-G469 PolarHBondContact O-N 3.19Å; E466-D470 PolarHBondContact O-N 3.19Å
467	S	85	Confident	84.2	Confident	42 Å²	42	90.8 Å²	90.8	29%	0.294	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-31.6	176.7	67.3	0	0	0	0	113.1	F462 S464 H471	F462-S467 WeakPolarHBondContact CD1-O 3.27Å; S464-S467 PolarHBondContact N-OG 3.34Å; S464-S467 PolarHBondContact O-N 3.22Å; S464-S467 PolarHBondContact O-OG 3.09Å; S467-H471 PolarHBondContact O-N 2.97Å; S467-H471 VanDerWaalsContact O-N 3.17Å
468	Y	88.4	Confident	84.5	Confident	51 Å²	51	91 Å²	91	20%	0.2	44%	0.439	C	S	.	.	H	α-helix	trans	-69.2	-41	172.6	-178.3	-112.8	0	0	0	111.3	H453 C455 F462 S464 F465 E466 H471 L472	H453-Y468 HydrophobicContact CB-CD1 4.02Å; H453-Y468 HydrophobicContact CB-CD2 3.79Å; H453-Y468 HydrophobicContact CB-CE2 4.38Å; H453-Y468 HydrophobicContact CB-CG 3.58Å; C455-Y468 HydrophobicContact CB-CE2 4.08Å; F462-Y468 HydrophobicContact CB-CD2 4.42Å; F462-Y468 AromaticContact CD2-CD2 3.58Å; F462-Y468 HydrophobicContact CD2-CD2 3.58Å; F462-Y468 HydrophobicContact CD2-CE2 4.4Å; F462-Y468 HydrophobicContact CD2-CG 4.48Å; F462-Y468 HydrophobicContact CE2-CD2 4.15Å; F462-Y468 HydrophobicContact CG-CD2 4.16Å; S464-Y468 PolarHBondContact O-N 3.46Å; S464-Y468 VanDerWaalsContact O-N 3.09Å; F465-Y468 WeakPolarHBondContact O-CB 3.41Å; F465-Y468 PolarHBondContact O-N 2.83Å; E466-Y468 VanDerWaalsContact C-N 3.25Å; E466-Y468 PolarHBondContact O-N 3.22Å; Y468-H471 WeakPolarHBondContact O-CB 3.3Å; Y468-H471 PolarHBondContact O-N 2.86Å; Y468-L472 HydrophobicContact CD1-CD1 4.07Å; Y468-L472 HydrophobicContact CE1-CD1 3.67Å; Y468-L472 HydrophobicContact CE1-CG 4.25Å; Y468-L472 HydrophobicContact CE2-CD2 4.43Å; Y468-L472 WeakPolarHBondContact O-CG 3.12Å; Y468-L472 PolarHBondContact O-N 2.99Å; Y468-L472 VanDerWaalsContact O-N 3.09Å
469	G	86.4	Confident	84.6	Confident	24 Å²	24	95.3 Å²	95.3	25%	0.247	46%	0.456	C	S	.	.	H	α-helix	trans	-58.1	-48.6	173.9	0	0	0	0	0	112.7	F465 E466 H471 L472 Q473	F465-G469 PolarHBondContact O-N 2.86Å; E466-G469 WeakPolarHBondContact O-CA 3.35Å; E466-G469 PolarHBondContact O-N 3.19Å; G469-H471 VanDerWaalsContact C-N 3.29Å; G469-H471 PolarHBondContact O-N 2.87Å; G469-L472 PolarHBondContact O-N 2.95Å; G469-Q473 PolarHBondContact O-N 3.18Å
470	D	87.6	Confident	84.8	Confident	115 Å²	115	92 Å²	92	62%	0.615	44%	0.439	S	S	*	.	H	α-helix	trans	-61.9	-38	177.5	-69.8	-16.6	0	0	0	112	E466 Q473 S474	E466-D470 PolarHBondContact O-N 3.19Å; D470-Q473 PolarHBondContact O-N 3.11Å; D470-S474 PolarHBondContact O-N 3.06Å
471	H	89.5	Confident	84.9	Confident	12 Å²	12	89.4 Å²	89.4	6%	0.056	43%	0.43	C	S	.	.	H	α-helix	trans	-63.3	-42.1	175.7	169.6	58.4	0	0	0	113.1	C455 C458 F462 S467 Y468 G469 Q473 S474 H477	C455-H471 WeakPolarHBondContact CB-NE2 3.41Å; C455-H471 PolarHBondContact SG-NE2 3.49Å; C458-H471 VanDerWaalsContact SG-CE1 3.58Å; F462-H471 HydrophobicContact CD1-CB 4.38Å; F462-H471 HydrophobicContact CE1-CB 3.52Å; F462-H471 AromaticContact CE1-CG 3.94Å; F462-H471 HydrophobicContact CE2-CB 3.83Å; F462-H471 AromaticContact CE2-CD2 3.31Å; F462-H471 WeakPolarHBondContact CE2-CD2 3.27Å; F462-H471 AromaticContact CE2-CG 3.52Å; F462-H471 HydrophobicContact CZ-CB 3.21Å; F462-H471 AromaticContact CZ-CD2 3.44Å; F462-H471 VanDerWaalsContact CZ-CD2 3.44Å; F462-H471 WeakPolarHBondContact CZ-CD2 3.31Å; F462-H471 AromaticContact CZ-CG 3.09Å; F462-H471 AromaticContact CZ-ND1 3.66Å; S467-H471 PolarHBondContact O-N 2.97Å; S467-H471 VanDerWaalsContact O-N 3.17Å; Y468-H471 WeakPolarHBondContact O-CB 3.3Å; Y468-H471 PolarHBondContact O-N 2.86Å; G469-H471 VanDerWaalsContact C-N 3.29Å; G469-H471 PolarHBondContact O-N 2.87Å; H471-Q473 PolarHBondContact O-N 3.2Å; H471-S474 WeakPolarHBondContact O-CB 3.4Å; H471-S474 PolarHBondContact O-N 3.11Å; H471-S474 PolarHBondContact O-OG 2.79Å; H471-H477 AromaticContact CE1-ND1 3.97Å; H471-H477 AromaticContact NE2-ND1 3.49Å; H471-H477 PolarHBondContact NE2-ND1 3.38Å; H471-H477 VanDerWaalsContact O-CB 3.32Å; H471-H477 WeakPolarHBondContact O-CB 3.17Å
472	L	87.4	Confident	84.8	Confident	65 Å²	65	88.2 Å²	88.2	34%	0.34	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-26.7	178.2	-68.6	175.7	0	0	0	112.2	Y468 G469 H477	Y468-L472 HydrophobicContact CD1-CD1 4.07Å; Y468-L472 HydrophobicContact CE1-CD1 3.67Å; Y468-L472 HydrophobicContact CE1-CG 4.25Å; Y468-L472 HydrophobicContact CE2-CD2 4.43Å; Y468-L472 WeakPolarHBondContact O-CG 3.12Å; Y468-L472 PolarHBondContact O-N 2.99Å; Y468-L472 VanDerWaalsContact O-N 3.09Å; G469-L472 PolarHBondContact O-N 2.95Å; L472-H477 WeakPolarHBondContact CD2-NE2 3.35Å; L472-H477 PolarHBondContact O-CD2 3.23Å; L472-H477 VanDerWaalsContact O-CD2 3.3Å
473	Q	85.8	Confident	84.5	Confident	160 Å²	160	90 Å²	90	75%	0.748	44%	0.443	S	S	*	.	H	α-helix	trans	-89.3	-7.9	176.6	-61.4	-176.3	4.7	0	0	113.9	G469 D470 H471	G469-Q473 PolarHBondContact O-N 3.18Å; D470-Q473 PolarHBondContact O-N 3.11Å; H471-Q473 PolarHBondContact O-N 3.2Å
474	S	87.7	Confident	84.6	Confident	41 Å²	41	87.6 Å²	87.6	29%	0.287	43%	0.427	S	S	.	.	S	Bend	trans	-66.1	139.8	-178.9	71.7	0	0	0	0	112.2	D470 H471 R476 H477 V478	D470-S474 PolarHBondContact O-N 3.06Å; H471-S474 WeakPolarHBondContact O-CB 3.4Å; H471-S474 PolarHBondContact O-N 3.11Å; H471-S474 PolarHBondContact O-OG 2.79Å; S474-R476 PolarHBondContact O-N 3.08Å; S474-R476 VanDerWaalsContact O-N 3.1Å; S474-H477 PolarHBondContact O-N 3.24Å; S474-V478 PolarHBondContact O-N 3.26Å
475	K	85.7	Confident	84.3	Confident	179 Å²	179	91.9 Å²	91.9	78%	0.778	44%	0.441	S	S	*	.	H	α-helix	trans	-48.6	-42.5	-179.4	-68.5	-175	177.9	-177	0	113	H477 V478 E479	K475-H477 PolarHBondContact O-N 3.44Å; K475-V478 PolarHBondContact O-N 2.87Å; K475-E479 PolarHBondContact O-N 3.26Å
476	R	84.2	Confident	83.9	Confident	184 Å²	184	91.3 Å²	91.3	69%	0.694	44%	0.44	S	S	*	.	H	α-helix	trans	-63.5	-39.5	178.2	-67.9	-173.5	-176.7	176.9	3.9	113.3	S474 N480	S474-R476 PolarHBondContact O-N 3.08Å; S474-R476 VanDerWaalsContact O-N 3.1Å; R476-N480 PolarHBondContact O-N 3.35Å; R476-N480 VanDerWaalsContact O-N 3.14Å
477	H	88.5	Confident	83	Confident	15 Å²	15	91.5 Å²	91.5	7%	0.069	44%	0.439	C	S	.	.	H	α-helix	trans	-66.1	-44	177.5	-177.4	86	0	0	0	110.5	C455 H471 L472 S474 K475 E479 N480 V481	C455-H477 PolarHBondContact SG-CE1 3.27Å; C455-H477 PolarHBondContact SG-ND1 3.27Å; H471-H477 AromaticContact CE1-ND1 3.97Å; H471-H477 AromaticContact NE2-ND1 3.49Å; H471-H477 PolarHBondContact NE2-ND1 3.38Å; H471-H477 VanDerWaalsContact O-CB 3.32Å; H471-H477 WeakPolarHBondContact O-CB 3.17Å; L472-H477 WeakPolarHBondContact CD2-NE2 3.35Å; L472-H477 PolarHBondContact O-CD2 3.23Å; L472-H477 VanDerWaalsContact O-CD2 3.3Å; S474-H477 PolarHBondContact O-N 3.24Å; K475-H477 PolarHBondContact O-N 3.44Å; H477-E479 PolarHBondContact O-N 2.85Å; H477-N480 PolarHBondContact O-N 2.82Å; H477-V481 WeakPolarHBondContact NE2-CG2 3.37Å; H477-V481 VanDerWaalsContact O-CG2 3.28Å; H477-V481 WeakPolarHBondContact O-CG2 3.45Å; H477-V481 PolarHBondContact O-N 3.41Å
478	V	86.9	Confident	81.7	Confident	63 Å²	63	93.4 Å²	93.4	38%	0.382	44%	0.443	S	S	.	.	H	α-helix	trans	-62.3	-40.6	179.4	180	0	0	0	0	112	S474 K475 V481 K482	S474-V478 PolarHBondContact O-N 3.26Å; K475-V478 PolarHBondContact O-N 2.87Å; V478-V481 PolarHBondContact O-N 3.46Å; V478-K482 PolarHBondContact O-N 3Å; V478-K482 VanDerWaalsContact O-N 3.17Å
479	E	84.2	Confident	80.2	Confident	119 Å²	119	97.1 Å²	97.1	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-43.2	174.3	-76.1	169.6	177.3	0	0	112.5	K475 H477 V481 K482 T483	K475-E479 PolarHBondContact O-N 3.26Å; H477-E479 PolarHBondContact O-N 2.85Å; E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.5Å; E479-K482 PolarHBondContact O-N 2.9Å; E479-T483 PolarHBondContact O-N 3.34Å; E479-T483 VanDerWaalsContact O-N 3.15Å; E479-T483 PolarHBondContact O-OG1 2.77Å
480	N	85.3	Confident	78.6	Confident	68 Å²	68	101 Å²	101	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-31.3	175.9	-73	-9.9	0	0	0	112.8	R476 H477 T483 R484	R476-N480 PolarHBondContact O-N 3.35Å; R476-N480 VanDerWaalsContact O-N 3.14Å; H477-N480 PolarHBondContact O-N 2.82Å; N480-T483 WeakPolarHBondContact CA-OG1 3.35Å; N480-T483 PolarHBondContact O-OG1 3.05Å; N480-T483 VanDerWaalsContact O-OG1 3.06Å; N480-R484 PolarHBondContact O-N 3.46Å
481	V	84.7	Confident	76.8	Confident	42 Å²	42	102 Å²	102	26%	0.255	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-43.9	173.5	171.7	0	0	0	0	110.9	L457 H477 V478 E479 R484 K485	L457-V481 HydrophobicContact CD1-CB 4.49Å; L457-V481 HydrophobicContact CD1-CG2 3.46Å; L457-V481 VanDerWaalsContact CD1-CG2 3.46Å; H477-V481 WeakPolarHBondContact NE2-CG2 3.37Å; H477-V481 VanDerWaalsContact O-CG2 3.28Å; H477-V481 WeakPolarHBondContact O-CG2 3.45Å; H477-V481 PolarHBondContact O-N 3.41Å; V478-V481 PolarHBondContact O-N 3.46Å; E479-V481 VanDerWaalsContact C-N 3.3Å; E479-V481 PolarHBondContact O-N 3.5Å; V481-R484 PolarHBondContact O-N 2.85Å; V481-K485 PolarHBondContact O-N 3.25Å; V481-K485 VanDerWaalsContact O-N 3.09Å
482	K	81.9	Confident	74.8	Confident	137 Å²	137	108.5 Å²	108.5	60%	0.596	52%	0.515	S	S	*	.	H	α-helix	trans	-62.1	-51.6	-180	-72.9	-177.9	178.4	-175	0	111.6	V478 E479 R484 K485 E486	V478-K482 PolarHBondContact O-N 3Å; V478-K482 VanDerWaalsContact O-N 3.17Å; E479-K482 PolarHBondContact O-N 2.9Å; K482-R484 VanDerWaalsContact C-N 3.26Å; K482-R484 PolarHBondContact O-N 2.94Å; K482-K485 PolarHBondContact O-N 3.01Å; K482-K485 VanDerWaalsContact O-N 3.14Å; K482-E486 PolarHBondContact O-N 3.02Å; K482-E486 VanDerWaalsContact O-N 3.08Å
483	T	78.8	Confident	72.7	Confident	69 Å²	69	112.4 Å²	112.4	42%	0.423	54%	0.536	S	S	.	.	H	α-helix	trans	-60.6	-31.8	179.7	50.1	0	0	0	0	113.3	E479 N480 K487	E479-T483 PolarHBondContact O-N 3.34Å; E479-T483 VanDerWaalsContact O-N 3.15Å; E479-T483 PolarHBondContact O-OG1 2.77Å; N480-T483 WeakPolarHBondContact CA-OG1 3.35Å; N480-T483 PolarHBondContact O-OG1 3.05Å; N480-T483 VanDerWaalsContact O-OG1 3.06Å; T483-K487 WeakPolarHBondContact O-CG 3.43Å; T483-K487 PolarHBondContact O-N 3.45Å
484	R	77.1	Confident	70.8	Confident	117 Å²	117	108.7 Å²	108.7	44%	0.442	53%	0.527	S	S	.	.	H	α-helix	trans	-78.4	-34.7	176.3	-162.2	180	176.1	165	0.6	113.2	L457 N480 V481 K482 E486 K487 Q488	L457-R484 HydrophobicContact CD2-CB 4.37Å; L457-R484 HydrophobicContact CD2-CG 4.39Å; N480-R484 PolarHBondContact O-N 3.46Å; V481-R484 PolarHBondContact O-N 2.85Å; K482-R484 VanDerWaalsContact C-N 3.26Å; K482-R484 PolarHBondContact O-N 2.94Å; R484-E486 VanDerWaalsContact C-N 3.33Å; R484-K487 PolarHBondContact O-N 3.2Å; R484-Q488 PolarHBondContact O-N 3.31Å
485	K	73.3	Confident	68.4	Low	135 Å²	135	111.9 Å²	111.9	59%	0.587	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-40.9	173.2	-79.7	-173.3	176	-174.3	0	111.3	V481 K482 K487 Q488 I489	V481-K485 PolarHBondContact O-N 3.25Å; V481-K485 VanDerWaalsContact O-N 3.09Å; K482-K485 PolarHBondContact O-N 3.01Å; K482-K485 VanDerWaalsContact O-N 3.14Å; K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.21Å; K485-Q488 PolarHBondContact O-N 2.89Å; K485-I489 WeakPolarHBondContact O-CG1 3.31Å; K485-I489 PolarHBondContact O-N 2.73Å; K485-I489 VanDerWaalsContact O-N 3.12Å
486	E	70.7	Confident	66.1	Low	131 Å²	131	108.6 Å²	108.6	61%	0.612	55%	0.549	S	S	*	.	H	α-helix	trans	-60	-39.4	173.6	-72.5	166.4	178.8	0	0	111.5	K482 R484	K482-E486 PolarHBondContact O-N 3.02Å; K482-E486 VanDerWaalsContact O-N 3.08Å; R484-E486 VanDerWaalsContact C-N 3.33Å
487	K	63.6	Low	63.9	Low	153 Å²	153	106.6 Å²	106.6	67%	0.665	56%	0.557	S	S	*	*	H	α-helix	trans	-73.6	-28.3	175.2	-70.5	179.1	-179.7	-174.7	0	114.6	T483 R484 K485	T483-K487 WeakPolarHBondContact O-CG 3.43Å; T483-K487 PolarHBondContact O-N 3.45Å; R484-K487 PolarHBondContact O-N 3.2Å; K485-K487 VanDerWaalsContact C-N 3.29Å; K485-K487 PolarHBondContact O-N 3.21Å
488	Q	57.5	Low	61.6	Low	82 Å²	82	112.9 Å²	112.9	38%	0.383	59%	0.591	S	S	.	*	H	α-helix	trans	-78.2	-33.9	179.7	-84	-176.9	-34.5	0	0	113.2	R484 K485 V490 Q491 E492	R484-Q488 PolarHBondContact O-N 3.31Å; K485-Q488 PolarHBondContact O-N 2.89Å; Q488-V490 PolarHBondContact O-N 2.97Å; Q488-Q491 PolarHBondContact O-N 3.25Å; Q488-E492 PolarHBondContact O-N 3.04Å
489	I	56.9	Low	59.3	Low	128 Å²	128	116.1 Å²	116.1	66%	0.656	61%	0.611	S	S	*	*	H	α-helix	trans	-61.2	-26.6	174.6	-65.5	165.2	0	0	0	110.9	K485	K485-I489 WeakPolarHBondContact O-CG1 3.31Å; K485-I489 PolarHBondContact O-N 2.73Å; K485-I489 VanDerWaalsContact O-N 3.12Å
490	V	53.5	Low	56.9	Low	106 Å²	106	116.1 Å²	116.1	64%	0.642	62%	0.621	S	S	*	*	H	α-helix	trans	-81.3	-24	175	-175.2	0	0	0	0	112.8	Q488	Q488-V490 PolarHBondContact O-N 2.97Å
491	Q	50.7	Low	54.5	Low	135 Å²	135	118.5 Å²	118.5	63%	0.631	64%	0.64	S	S	*	*	H	α-helix	trans	-98.1	-24.7	-175.2	-82.6	-175.9	-14.5	0	0	115.5	Q488 N493 S494	Q488-Q491 PolarHBondContact O-N 3.25Å; Q491-N493 PolarHBondContact O-N 3.45Å; Q491-S494 PolarHBondContact O-N 2.85Å
492	E	47.5	Very low	52.3	Low	150 Å²	150	126 Å²	126	70%	0.701	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-70.2	-14.6	-176	-76.9	-177.1	169.3	0	0	114.2	Q488 S494	Q488-E492 PolarHBondContact O-N 3.04Å; E492-S494 VanDerWaalsContact C-N 3.29Å; E492-S494 PolarHBondContact O-N 2.73Å
493	N	41.4	Very low	50	Low	147 Å²	147	125.8 Å²	125.8	79%	0.786	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-81.5	0.1	174.7	-77.5	-14.1	0	0	0	114.7	Q491	Q491-N493 PolarHBondContact O-N 3.45Å
494	S	46	Very low	48.1	Very low	81 Å²	81	127.9 Å²	127.9	57%	0.566	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-123.3	7.2	-165.8	-55.6	0	0	0	0	115.9	Q491 E492	Q491-S494 PolarHBondContact O-N 2.85Å; E492-S494 VanDerWaalsContact C-N 3.29Å; E492-S494 PolarHBondContact O-N 2.73Å
495	S	38	Very low	46.1	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	71%	0.709	S	S	*	*			trans	-126.8	73.5	-170.4	-50	0	0	0	0	113.7
496	S	37.1	Very low	44.4	Very low	109 Å²	109	127 Å²	127	76%	0.762	72%	0.718	S	S	*	*			trans	-138.1	131.8	156.3	83.3	0	0	0	0	111.5
497	V	37.6	Very low	42.6	Very low	142 Å²	142	126.8 Å²	126.8	86%	0.861	73%	0.725	S	S	*	*			trans	87.1	116	160.1	-165.8	0	0	0	0	118.1
498	L	40.6	Very low	41.4	Very low	147 Å²	147	128.6 Å²	128.6	77%	0.77	73%	0.733	S	S	*	*			trans	-77.6	154.4	172.5	-75.6	146.3	0	0	0	112.4
499	T	39.6	Very low	41	Very low	131 Å²	131	134.4 Å²	134.4	80%	0.804	76%	0.76	S	S	*	*			trans	71.6	138.8	150.4	50.5	0	0	0	0	120.8
500	P	33.4	Very low	41.1	Very low	120 Å²	120	130.2 Å²	130.2	78%	0.779	74%	0.744	S	S	*	*			trans	-100.1	155.9	-162.9	39	-31.2	0	0	0	113.8
501	P	35.3	Very low	42	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	73%	0.733	S	S	*	*				-146.5	148.1	123.7	32.9	-15.1	0	0	0	116
502	K	38.8	Very low	43.5	Very low	201 Å²	201	123.5 Å²	123.5	87%	0.874	72%	0.718	S	S	*	*			trans	40.2	115	142.3	-61.2	179.2	-179.7	178.6	0	119.9
503	T	32.8	Very low	45.3	Very low	132 Å²	132	117.6 Å²	117.6	81%	0.81	69%	0.692	S	S	*	*			trans	-35.9	168	154.3	54.8	0	0	0	0	115.8
504	P	38.4	Very low	47.6	Very low	112 Å²	112	113.2 Å²	113.2	73%	0.727	67%	0.667	S	S	*	*			cis	-141.2	-178.8	12.4	26.3	-0.9	0	0	0	116.3
505	S	35.6	Very low	49.8	Very low	106 Å²	106	111.9 Å²	111.9	74%	0.741	65%	0.653	S	S	*	*			trans	90.7	133.7	145.2	68	0	0	0	0	119.1
506	V	36.8	Very low	52.4	Low	128 Å²	128	106.7 Å²	106.7	78%	0.776	62%	0.617	S	S	*	*			trans	108.5	92.6	161.9	-169.2	0	0	0	0	116.1
507	V	33.2	Very low	55	Low	126 Å²	126	101.8 Å²	101.8	76%	0.764	58%	0.582	S	S	*	*			trans	71.9	111.3	132.2	-167.3	0	0	0	0	119.4
508	K	39.6	Very low	57.7	Low	192 Å²	192	95 Å²	95	84%	0.835	54%	0.541	S	S	*	.				175.1	130.4	114.4	-89.5	-179.8	-174.4	178.5	0	107	A510	K508-A510 PolarHBondContact O-N 3.38Å
509	E	48.3	Very low	60.1	Low	203 Å²	203	88.9 Å²	88.9	95%	0.949	51%	0.51	S	S	*	.			trans	-52.4	111.5	174.2	-72.3	166.9	159.3	0	0	108.7
510	A	58.5	Low	62.4	Low	40 Å²	40	88.3 Å²	88.3	33%	0.331	51%	0.511	S	S	.	.			trans	-71.2	133.3	176.1	0	0	0	0	0	108	K508 I522	K508-A510 PolarHBondContact O-N 3.38Å; A510-I522 HydrophobicContact CB-CG2 4.2Å
511	A	73.1	Confident	65.1	Low	49 Å²	49	85.1 Å²	85.1	41%	0.405	49%	0.49	S	S	.	.			trans	-61.6	144.4	176.1	0	0	0	0	0	109.4	V513 Q514	A511-V513 HydrophobicContact CB-CG2 3.8Å; A511-V513 PolarHBondContact O-N 2.95Å; A511-Q514 WeakPolarHBondContact O-CB 3.48Å; A511-Q514 PolarHBondContact O-N 2.71Å
512	V	81.6	Confident	67.8	Low	52 Å²	52	85 Å²	85	32%	0.315	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-51.4	-37	-177.8	174.9	0	0	0	0	112.1	Q514 I515 T555 H558	V512-Q514 PolarHBondContact O-N 3.24Å; V512-I515 PolarHBondContact O-N 2.78Å; V512-T555 HydrophobicContact CG1-CG2 4.5Å; V512-H558 HydrophobicContact CG1-CB 3.46Å; V512-H558 VanDerWaalsContact CG1-CB 3.46Å; V512-H558 VanDerWaalsContact CG1-ND1 3.3Å; V512-H558 WeakPolarHBondContact CG1-ND1 3.48Å
513	V	85.6	Confident	70.2	Confident	25 Å²	25	76.5 Å²	76.5	15%	0.152	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-64.9	-15	176.3	-82	0	0	0	0	115.7	A511 L526 N529 E551 L554	A511-V513 HydrophobicContact CB-CG2 3.8Å; A511-V513 PolarHBondContact O-N 2.95Å; V513-L526 HydrophobicContact CB-CD1 4.01Å; V513-L526 HydrophobicContact CG1-CD1 4.14Å; V513-N529 PolarHBondContact O-ND2 2.89Å; V513-E551 HydrophobicContact CG1-CB 4.28Å; V513-E551 HydrophobicContact CG1-CG 4.34Å; V513-L554 HydrophobicContact CG1-CB 4.18Å
514	Q	90.1	Very high	72.8	Confident	55 Å²	55	79.1 Å²	79.1	26%	0.257	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-89.6	-13.6	176.8	-71.1	173.9	-28.1	0	0	113.1	A511 V512 I522 S523 R524	A511-Q514 WeakPolarHBondContact O-CB 3.48Å; A511-Q514 PolarHBondContact O-N 2.71Å; V512-Q514 PolarHBondContact O-N 3.24Å; Q514-I522 HydrophobicContact CB-CG2 4.42Å; Q514-S523 WeakPolarHBondContact CB-O 3.29Å; Q514-S523 PolarHBondContact O-N 3.21Å; Q514-R524 PolarHBondContact NE2-O 3.39Å
515	I	91.3	Very high	75.2	Confident	53 Å²	53	77.9 Å²	77.9	27%	0.272	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-92.4	131.3	-177.2	-54.6	174.8	0	0	0	108.8	V512 L517 N529	V512-I515 PolarHBondContact O-N 2.78Å; I515-L517 PolarHBondContact O-N 2.92Å; I515-N529 VanDerWaalsContact C-ND2 3.32Å; I515-N529 PolarHBondContact O-ND2 3.1Å
516	C	93.1	Very high	77.8	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	40%	0.403	C	S	.	.			trans	-67.5	133.6	176.1	178.6	0	0	0	0	111.1	F518 C519 T521 N529 H532	C516-F518 VanDerWaalsContact C-N 3.28Å; C516-F518 PolarHBondContact O-N 3.44Å; C516-C519 PolarHBondContact SG-SG 3.07Å; C516-T521 VanDerWaalsContact CB-O 3.32Å; C516-T521 WeakPolarHBondContact CB-O 3.41Å; C516-T521 VanDerWaalsContact CB-OG1 3.24Å; C516-T521 WeakPolarHBondContact CB-OG1 3.32Å; C516-T521 PolarHBondContact N-O 3.44Å; C516-N529 WeakPolarHBondContact CA-OD1 3.24Å; C516-N529 PolarHBondContact N-OD1 3.18Å; C516-H532 PolarHBondContact SG-CD2 3.5Å; C516-H532 PolarHBondContact SG-NE2 3.18Å
517	L	91.9	Very high	80.4	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.031	40%	0.4	C	S	.	.	S	Bend	trans	-64	-31.8	179.6	-77.3	159.8	0	0	0	113	I515 M533 L554 L557 H558 V561 Q584	I515-L517 PolarHBondContact O-N 2.92Å; L517-M533 HydrophobicContact CB-CE 3.78Å; L517-M533 HydrophobicContact CB-SD 4.21Å; L517-M533 HydrophobicContact CD1-CE 3.46Å; L517-M533 VanDerWaalsContact CD1-CE 3.46Å; L517-M533 HydrophobicContact CD1-SD 4.13Å; L517-M533 HydrophobicContact CG-CE 4Å; L517-M533 HydrophobicContact CG-SD 4.29Å; L517-L554 HydrophobicContact CD1-CD2 3.84Å; L517-L557 HydrophobicContact CD1-CB 4.09Å; L517-L557 HydrophobicContact CD2-CB 4.27Å; L517-H558 HydrophobicContact CD2-CB 3.79Å; L517-V561 HydrophobicContact CD2-CG2 4.43Å; L517-Q584 PolarHBondContact O-NE2 3.01Å
518	F	94.2	Very high	83.2	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.381	C	S	.	.	S	Bend	trans	-107.9	-11.6	-169.3	-54.1	-67.5	0	0	0	114.7	C516 M533 H537 F539 L568 M587 R588 C593	C516-F518 VanDerWaalsContact C-N 3.28Å; C516-F518 PolarHBondContact O-N 3.44Å; F518-M533 HydrophobicContact CD2-CE 3.95Å; F518-M533 HydrophobicContact CE2-CE 3.52Å; F518-M533 HydrophobicContact CZ-CE 4.47Å; F518-H537 HydrophobicContact CB-CB 4.27Å; F518-H537 HydrophobicContact CD2-CB 3.73Å; F518-H537 AromaticContact CD2-CD2 3.99Å; F518-H537 AromaticContact CD2-CG 3.88Å; F518-H537 HydrophobicContact CE2-CB 4.46Å; F518-H537 HydrophobicContact CG-CB 4.19Å; F518-F539 HydrophobicContact CE2-CB 3.69Å; F518-F539 AromaticContact CE2-CD2 3.42Å; F518-F539 HydrophobicContact CE2-CD2 3.42Å; F518-F539 VanDerWaalsContact CE2-CD2 3.42Å; F518-F539 HydrophobicContact CE2-CE2 4.14Å; F518-F539 AromaticContact CE2-CG 3.68Å; F518-F539 HydrophobicContact CE2-CG 3.68Å; F518-F539 HydrophobicContact CZ-CB 4.48Å; F518-F539 AromaticContact CZ-CD2 3.45Å; F518-F539 HydrophobicContact CZ-CD2 3.45Å; F518-F539 VanDerWaalsContact CZ-CD2 3.45Å; F518-F539 AromaticContact CZ-CE2 3.9Å; F518-F539 HydrophobicContact CZ-CE2 3.9Å; F518-F539 HydrophobicContact CZ-CG 4.19Å; F518-L568 HydrophobicContact CE1-CD1 4.32Å; F518-L568 HydrophobicContact CZ-CD1 4.29Å; F518-M587 HydrophobicContact CD1-CB 4.07Å; F518-M587 HydrophobicContact CD1-CE 4.16Å; F518-M587 HydrophobicContact CD1-CG 4.48Å; F518-M587 HydrophobicContact CD1-SD 3.68Å; F518-M587 HydrophobicContact CE1-CE 3.6Å; F518-M587 HydrophobicContact CE1-SD 3.76Å; F518-R588 PolarHBondContact O-NH1 3.03Å; F518-C593 HydrophobicContact CD1-CB 3.99Å; F518-C593 HydrophobicContact CD2-CB 4.17Å; F518-C593 HydrophobicContact CE1-CB 3.86Å; F518-C593 HydrophobicContact CE2-CB 4.04Å; F518-C593 HydrophobicContact CG-CB 4.15Å; F518-C593 HydrophobicContact CZ-CB 3.9Å
519	C	91.1	Very high	85.7	Confident	18 Å²	18	65.5 Å²	65.5	12%	0.122	34%	0.343	C	S	.	.	S	Bend	trans	-149.5	177.9	177.8	72.3	0	0	0	0	111.6	C516 T521 H532 H537	C516-C519 PolarHBondContact SG-SG 3.07Å; C519-T521 VanDerWaalsContact C-N 3.25Å; C519-T521 PolarHBondContact O-N 3.5Å; C519-T521 PolarHBondContact SG-OG1 2.98Å; C519-H532 PolarHBondContact SG-NE2 2.94Å; C519-H537 PolarHBondContact SG-NE2 3.24Å
520	S	88.4	Confident	87.8	Confident	118 Å²	118	57.5 Å²	57.5	83%	0.825	31%	0.307	S	S	*	.	S	Bend	trans	-83.1	13.9	-176	51.5	0	0	0	0	114.9
521	T	90	Very high	89.5	Confident	54 Å²	54	60.9 Å²	60.9	33%	0.331	32%	0.315	S	S	.	.			trans	-79.9	130.8	179.9	57.8	0	0	0	0	111.1	C516 C519 H532	C516-T521 VanDerWaalsContact CB-O 3.32Å; C516-T521 WeakPolarHBondContact CB-O 3.41Å; C516-T521 VanDerWaalsContact CB-OG1 3.24Å; C516-T521 WeakPolarHBondContact CB-OG1 3.32Å; C516-T521 PolarHBondContact N-O 3.44Å; C519-T521 VanDerWaalsContact C-N 3.25Å; C519-T521 PolarHBondContact O-N 3.5Å; C519-T521 PolarHBondContact SG-OG1 2.98Å; T521-H532 PolarHBondContact OG1-CD2 3.49Å; T521-H532 VanDerWaalsContact OG1-CD2 3.27Å; T521-H532 PolarHBondContact OG1-NE2 3Å
522	I	91.8	Very high	90.5	Very high	114 Å²	114	61.1 Å²	61.1	59%	0.585	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-104.4	119.7	172.1	-55	172	0	0	0	107.4	A510 Q514	A510-I522 HydrophobicContact CB-CG2 4.2Å; Q514-I522 HydrophobicContact CB-CG2 4.42Å
523	S	89.6	Confident	91.1	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.154	29%	0.293	C	S	.	.			trans	-91.1	159.7	177.4	-73.6	0	0	0	0	110.7	Q514 N529	Q514-S523 WeakPolarHBondContact CB-O 3.29Å; Q514-S523 PolarHBondContact O-N 3.21Å; S523-N529 WeakPolarHBondContact OG-CA 3.47Å
524	R	86.8	Confident	91.4	Very high	187 Å²	187	59.7 Å²	59.7	71%	0.706	30%	0.302	S	S	*	.	S	Bend	trans	-72.7	-39.3	179.7	-66.6	-172.4	-176.4	174.2	-0	112.7	Q514	Q514-R524 PolarHBondContact NE2-O 3.39Å
525	D	88	Confident	91.6	Very high	86 Å²	86	64.2 Å²	64.2	46%	0.46	33%	0.326	S	S	.	.	S	Bend	trans	-135.2	158.1	-171.5	-49.8	-58.6	0	0	0	109.3	E527 R528 N529	D525-E527 VanDerWaalsContact C-N 3.32Å; D525-E527 PolarHBondContact O-N 2.91Å; D525-R528 PolarHBondContact O-N 2.66Å; D525-N529 PolarHBondContact O-N 3.48Å
526	L	90.4	Very high	91.6	Very high	37 Å²	37	64.1 Å²	64.1	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-55.1	-46.2	177.3	170.1	63.6	0	0	0	111.8	V513 R528 N529 L530 L550 E551 L554	V513-L526 HydrophobicContact CB-CD1 4.01Å; V513-L526 HydrophobicContact CG1-CD1 4.14Å; L526-R528 PolarHBondContact O-N 3.05Å; L526-N529 WeakPolarHBondContact O-CB 3.29Å; L526-N529 PolarHBondContact O-N 3.37Å; L526-N529 VanDerWaalsContact O-N 3.14Å; L526-L530 HydrophobicContact CD1-CD1 4.07Å; L526-L530 HydrophobicContact CD1-CG 4.39Å; L526-L530 HydrophobicContact CG-CD1 4.13Å; L526-L530 WeakPolarHBondContact O-CG 3.49Å; L526-L530 PolarHBondContact O-N 3.33Å; L526-L550 HydrophobicContact CD1-CD2 4.4Å; L526-L550 HydrophobicContact CD2-CD2 4.08Å; L526-L550 HydrophobicContact CG-CD2 4.44Å; L526-E551 HydrophobicContact CD2-CG 3.8Å; L526-L554 HydrophobicContact CD1-CD1 3.25Å
527	E	91.6	Very high	91.5	Very high	151 Å²	151	65.9 Å²	65.9	71%	0.706	35%	0.346	S	S	*	.	H	α-helix	trans	-59.6	-45.8	179.8	-66.4	176.2	179.9	0	0	112	D525 N529 L530 E531	D525-E527 VanDerWaalsContact C-N 3.32Å; D525-E527 PolarHBondContact O-N 2.91Å; E527-N529 VanDerWaalsContact C-N 3.31Å; E527-N529 PolarHBondContact O-N 3.16Å; E527-L530 WeakPolarHBondContact O-CB 3.39Å; E527-L530 PolarHBondContact O-N 3.42Å; E527-E531 WeakPolarHBondContact O-CG 3.41Å; E527-E531 PolarHBondContact O-N 3.15Å
528	R	92.1	Very high	91.4	Very high	100 Å²	100	68 Å²	68	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-66.9	-32.4	176.6	-77.2	-176.9	172.6	-176.1	-1	112.6	D525 L526 H532	D525-R528 PolarHBondContact O-N 2.66Å; L526-R528 PolarHBondContact O-N 3.05Å; R528-H532 WeakPolarHBondContact O-CB 3.26Å; R528-H532 PolarHBondContact O-N 3.43Å
529	N	93.2	Very high	91.4	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-64.4	-43.8	173.1	-163.4	19.5	0	0	0	110.7	V513 I515 C516 S523 D525 L526 E527 H532 M533	V513-N529 PolarHBondContact O-ND2 2.89Å; I515-N529 VanDerWaalsContact C-ND2 3.32Å; I515-N529 PolarHBondContact O-ND2 3.1Å; C516-N529 WeakPolarHBondContact CA-OD1 3.24Å; C516-N529 PolarHBondContact N-OD1 3.18Å; S523-N529 WeakPolarHBondContact OG-CA 3.47Å; D525-N529 PolarHBondContact O-N 3.48Å; L526-N529 WeakPolarHBondContact O-CB 3.29Å; L526-N529 PolarHBondContact O-N 3.37Å; L526-N529 VanDerWaalsContact O-N 3.14Å; E527-N529 VanDerWaalsContact C-N 3.31Å; E527-N529 PolarHBondContact O-N 3.16Å; N529-H532 WeakPolarHBondContact O-CB 3.25Å; N529-H532 PolarHBondContact O-N 2.97Å; N529-M533 WeakPolarHBondContact O-CB 3.2Å; N529-M533 WeakPolarHBondContact O-CG 3.13Å; N529-M533 PolarHBondContact O-N 3.25Å
530	L	92.4	Very high	91.4	Very high	36 Å²	36	75.3 Å²	75.3	19%	0.188	40%	0.399	C	S	.	.	H	α-helix	trans	-66.4	-39.7	176.2	-69.9	163.6	0	0	0	113.1	L526 E527 H532 M533 S534 I541 L550 L554	L526-L530 HydrophobicContact CD1-CD1 4.07Å; L526-L530 HydrophobicContact CD1-CG 4.39Å; L526-L530 HydrophobicContact CG-CD1 4.13Å; L526-L530 WeakPolarHBondContact O-CG 3.49Å; L526-L530 PolarHBondContact O-N 3.33Å; E527-L530 WeakPolarHBondContact O-CB 3.39Å; E527-L530 PolarHBondContact O-N 3.42Å; L530-H532 VanDerWaalsContact C-N 3.34Å; L530-M533 PolarHBondContact O-N 3.42Å; L530-S534 WeakPolarHBondContact O-CB 3.35Å; L530-S534 PolarHBondContact O-N 3.43Å; L530-S534 PolarHBondContact O-OG 3.31Å; L530-I541 HydrophobicContact CD2-CD1 3.89Å; L530-L550 HydrophobicContact CD1-CD2 3.42Å; L530-L550 VanDerWaalsContact CD1-CD2 3.42Å; L530-L554 HydrophobicContact CD2-CD1 4.04Å; L530-L554 HydrophobicContact CD2-CD2 4.26Å; L530-L554 HydrophobicContact CG-CD1 4.44Å
531	E	93	Very high	91.5	Very high	110 Å²	110	70.3 Å²	70.3	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-61.4	-42.9	172	-74	-177.9	167.3	0	0	111.4	E527 S534 I535	E527-E531 WeakPolarHBondContact O-CG 3.41Å; E527-E531 PolarHBondContact O-N 3.15Å; E531-S534 WeakPolarHBondContact CA-OG 3.48Å; E531-S534 PolarHBondContact O-OG 2.66Å; E531-I535 WeakPolarHBondContact O-CB 3.49Å; E531-I535 VanDerWaalsContact O-CG1 3.3Å; E531-I535 WeakPolarHBondContact O-CG1 3.29Å; E531-I535 PolarHBondContact O-N 3.36Å
532	H	94.4	Very high	91.3	Very high	54 Å²	54	68.8 Å²	68.8	25%	0.25	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-43.5	174.2	170.5	69.5	0	0	0	111.6	C516 C519 T521 R528 N529 L530 G536 H537	C516-H532 PolarHBondContact SG-CD2 3.5Å; C516-H532 PolarHBondContact SG-NE2 3.18Å; C519-H532 PolarHBondContact SG-NE2 2.94Å; T521-H532 PolarHBondContact OG1-CD2 3.49Å; T521-H532 VanDerWaalsContact OG1-CD2 3.27Å; T521-H532 PolarHBondContact OG1-NE2 3Å; R528-H532 WeakPolarHBondContact O-CB 3.26Å; R528-H532 PolarHBondContact O-N 3.43Å; N529-H532 WeakPolarHBondContact O-CB 3.25Å; N529-H532 PolarHBondContact O-N 2.97Å; L530-H532 VanDerWaalsContact C-N 3.34Å; H532-G536 VanDerWaalsContact O-CA 3.27Å; H532-G536 WeakPolarHBondContact O-CA 3.33Å; H532-G536 PolarHBondContact O-N 3.18Å; H532-H537 AromaticContact CE1-NE2 3.89Å; H532-H537 AromaticContact NE2-CD2 3.69Å; H532-H537 AromaticContact NE2-NE2 3.15Å; H532-H537 PolarHBondContact NE2-NE2 3.49Å; H532-H537 VanDerWaalsContact NE2-NE2 3.15Å
533	M	93.6	Very high	91	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-67.7	-38.7	-179.3	-74.2	-178.3	51.6	0	0	112.8	L517 F518 N529 L530 H537 G538 F539	L517-M533 HydrophobicContact CB-CE 3.78Å; L517-M533 HydrophobicContact CB-SD 4.21Å; L517-M533 HydrophobicContact CD1-CE 3.46Å; L517-M533 VanDerWaalsContact CD1-CE 3.46Å; L517-M533 HydrophobicContact CD1-SD 4.13Å; L517-M533 HydrophobicContact CG-CE 4Å; L517-M533 HydrophobicContact CG-SD 4.29Å; F518-M533 HydrophobicContact CD2-CE 3.95Å; F518-M533 HydrophobicContact CE2-CE 3.52Å; F518-M533 HydrophobicContact CZ-CE 4.47Å; N529-M533 WeakPolarHBondContact O-CB 3.2Å; N529-M533 WeakPolarHBondContact O-CG 3.13Å; N529-M533 PolarHBondContact O-N 3.25Å; L530-M533 PolarHBondContact O-N 3.42Å; M533-H537 CarbonylContact O-C 3.54Å; M533-H537 WeakPolarHBondContact O-CA 3.34Å; M533-H537 WeakPolarHBondContact O-CB 3.35Å; M533-H537 PolarHBondContact O-N 3.03Å; M533-H537 VanDerWaalsContact O-N 3.09Å; M533-G538 PolarHBondContact O-N 3Å; M533-F539 HydrophobicContact CB-CB 4.06Å; M533-F539 HydrophobicContact CB-CD1 4.27Å; M533-F539 HydrophobicContact CE-CB 4.18Å; M533-F539 HydrophobicContact CE-CD1 3.38Å; M533-F539 HydrophobicContact CE-CD2 4.2Å; M533-F539 HydrophobicContact CE-CE1 3.64Å; M533-F539 HydrophobicContact CE-CE2 4.42Å; M533-F539 HydrophobicContact CE-CG 3.67Å; M533-F539 HydrophobicContact CE-CZ 4.16Å; M533-F539 WeakPolarHBondContact O-CB 3.32Å; M533-F539 PolarHBondContact O-N 3.25Å
534	S	93	Very high	90.9	Very high	47 Å²	47	69.7 Å²	69.7	33%	0.329	36%	0.361	S	S	.	.	H	α-helix	trans	-71.5	-46.1	176.7	54.3	0	0	0	0	112.4	L530 E531 G538 F539	L530-S534 WeakPolarHBondContact O-CB 3.35Å; L530-S534 PolarHBondContact O-N 3.43Å; L530-S534 PolarHBondContact O-OG 3.31Å; E531-S534 WeakPolarHBondContact CA-OG 3.48Å; E531-S534 PolarHBondContact O-OG 2.66Å; S534-G538 VanDerWaalsContact O-CA 3.23Å; S534-G538 WeakPolarHBondContact O-CA 3.42Å; S534-G538 PolarHBondContact O-N 2.86Å; S534-G538 VanDerWaalsContact O-N 3.12Å; S534-F539 WeakPolarHBondContact CA-O 3.32Å
535	I	93.4	Very high	90.8	Very high	150 Å²	150	68 Å²	68	77%	0.769	37%	0.366	S	S	*	.	H	α-helix	trans	-77.5	-42.9	-178.3	-62	170.2	0	0	0	111.5	E531	E531-I535 WeakPolarHBondContact O-CB 3.49Å; E531-I535 VanDerWaalsContact O-CG1 3.3Å; E531-I535 WeakPolarHBondContact O-CG1 3.29Å; E531-I535 PolarHBondContact O-N 3.36Å
536	G	90.7	Very high	90.7	Very high	50 Å²	50	65.7 Å²	65.7	52%	0.515	35%	0.351	S	S	.	.	H	α-helix	trans	-81.5	-36.8	-173.8	0	0	0	0	0	113.9	H532	H532-G536 VanDerWaalsContact O-CA 3.27Å; H532-G536 WeakPolarHBondContact O-CA 3.33Å; H532-G536 PolarHBondContact O-N 3.18Å
537	H	92.7	Very high	90.4	Very high	38 Å²	38	65.1 Å²	65.1	18%	0.176	35%	0.35	C	S	.	.	H	α-helix	trans	-120.6	-4.1	-173.7	-54.4	-68.3	0	0	0	113.8	F518 C519 H532 M533 F539 C593	F518-H537 HydrophobicContact CB-CB 4.27Å; F518-H537 HydrophobicContact CD2-CB 3.73Å; F518-H537 AromaticContact CD2-CD2 3.99Å; F518-H537 AromaticContact CD2-CG 3.88Å; F518-H537 HydrophobicContact CE2-CB 4.46Å; F518-H537 HydrophobicContact CG-CB 4.19Å; C519-H537 PolarHBondContact SG-NE2 3.24Å; H532-H537 AromaticContact CE1-NE2 3.89Å; H532-H537 AromaticContact NE2-CD2 3.69Å; H532-H537 AromaticContact NE2-NE2 3.15Å; H532-H537 PolarHBondContact NE2-NE2 3.49Å; H532-H537 VanDerWaalsContact NE2-NE2 3.15Å; M533-H537 CarbonylContact O-C 3.54Å; M533-H537 WeakPolarHBondContact O-CA 3.34Å; M533-H537 WeakPolarHBondContact O-CB 3.35Å; M533-H537 PolarHBondContact O-N 3.03Å; M533-H537 VanDerWaalsContact O-N 3.09Å; H537-F539 VanDerWaalsContact C-N 3.25Å; H537-F539 PolarHBondContact O-N 2.9Å; H537-C593 HydrophobicContact CB-CB 3.97Å; H537-C593 VanDerWaalsContact O-CB 3.23Å; H537-C593 WeakPolarHBondContact O-CB 3.35Å
538	G	89	Confident	90.2	Very high	51 Å²	51	63.3 Å²	63.3	53%	0.526	34%	0.344	S	S	.	.			trans	68.5	24.6	-177.4	0	0	0	0	0	113.5	M533 S534	M533-G538 PolarHBondContact O-N 3Å; S534-G538 VanDerWaalsContact O-CA 3.23Å; S534-G538 WeakPolarHBondContact O-CA 3.42Å; S534-G538 PolarHBondContact O-N 2.86Å; S534-G538 VanDerWaalsContact O-N 3.12Å
539	F	93.4	Very high	89.9	Confident	6 Å²	6	61 Å²	61	3%	0.026	34%	0.343	C	S	.	.			trans	-74.8	129.1	-179.7	-178.2	-105.5	0	0	0	111.3	F518 M533 S534 H537 I541 L554 L557 C593 V595	F518-F539 HydrophobicContact CE2-CB 3.69Å; F518-F539 AromaticContact CE2-CD2 3.42Å; F518-F539 HydrophobicContact CE2-CD2 3.42Å; F518-F539 VanDerWaalsContact CE2-CD2 3.42Å; F518-F539 HydrophobicContact CE2-CE2 4.14Å; F518-F539 AromaticContact CE2-CG 3.68Å; F518-F539 HydrophobicContact CE2-CG 3.68Å; F518-F539 HydrophobicContact CZ-CB 4.48Å; F518-F539 AromaticContact CZ-CD2 3.45Å; F518-F539 HydrophobicContact CZ-CD2 3.45Å; F518-F539 VanDerWaalsContact CZ-CD2 3.45Å; F518-F539 AromaticContact CZ-CE2 3.9Å; F518-F539 HydrophobicContact CZ-CE2 3.9Å; F518-F539 HydrophobicContact CZ-CG 4.19Å; M533-F539 HydrophobicContact CB-CB 4.06Å; M533-F539 HydrophobicContact CB-CD1 4.27Å; M533-F539 HydrophobicContact CE-CB 4.18Å; M533-F539 HydrophobicContact CE-CD1 3.38Å; M533-F539 HydrophobicContact CE-CD2 4.2Å; M533-F539 HydrophobicContact CE-CE1 3.64Å; M533-F539 HydrophobicContact CE-CE2 4.42Å; M533-F539 HydrophobicContact CE-CG 3.67Å; M533-F539 HydrophobicContact CE-CZ 4.16Å; M533-F539 WeakPolarHBondContact O-CB 3.32Å; M533-F539 PolarHBondContact O-N 3.25Å; S534-F539 WeakPolarHBondContact CA-O 3.32Å; H537-F539 VanDerWaalsContact C-N 3.25Å; H537-F539 PolarHBondContact O-N 2.9Å; F539-I541 HydrophobicContact CD1-CG1 4.35Å; F539-I541 HydrophobicContact CE1-CD1 4.12Å; F539-I541 HydrophobicContact CE1-CG1 3.51Å; F539-I541 HydrophobicContact CZ-CG1 4.02Å; F539-L554 HydrophobicContact CE1-CD2 4.39Å; F539-L557 HydrophobicContact CZ-CD1 3.92Å; F539-C593 WeakPolarHBondContact CA-O 3.39Å; F539-C593 WeakPolarHBondContact CD2-O 3.4Å; F539-V595 HydrophobicContact CE2-CG2 3.55Å; F539-V595 HydrophobicContact CZ-CG2 3.86Å
540	F	91.5	Very high	89.8	Confident	165 Å²	165	63 Å²	63	72%	0.724	35%	0.354	S	S	*	.			trans	-129.9	132.8	176.2	-132.2	-92.3	0	0	0	109.2
541	I	89.8	Confident	89.7	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.072	37%	0.371	C	S	.	.			trans	-85.9	123.6	173.5	-62.7	172.8	0	0	0	106.9	L530 F539 V544 L550 L553 Y609	L530-I541 HydrophobicContact CD2-CD1 3.89Å; F539-I541 HydrophobicContact CD1-CG1 4.35Å; F539-I541 HydrophobicContact CE1-CD1 4.12Å; F539-I541 HydrophobicContact CE1-CG1 3.51Å; F539-I541 HydrophobicContact CZ-CG1 4.02Å; I541-V544 HydrophobicContact CB-CG2 3.85Å; I541-V544 HydrophobicContact CG2-CG2 4.02Å; I541-V544 VanDerWaalsContact O-CG2 3.27Å; I541-V544 WeakPolarHBondContact O-CG2 3.37Å; I541-L550 HydrophobicContact CD1-CD1 3.83Å; I541-L550 HydrophobicContact CD1-CG 4.25Å; I541-L553 HydrophobicContact CG2-CD2 3.72Å; I541-Y609 VanDerWaalsContact CG2-OH 3.26Å; I541-Y609 WeakPolarHBondContact CG2-OH 3.48Å
542	P	87.7	Confident	89.6	Confident	21 Å²	21	62.8 Å²	62.8	14%	0.136	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	145.4	175.5	-21.3	34.5	0	0	0	110.7	V544 H597 Y609	P542-V544 VanDerWaalsContact C-N 3.3Å; P542-V544 PolarHBondContact O-N 2.66Å; P542-H597 HydrophobicContact CB-CB 4.43Å; P542-H597 HydrophobicContact CG-CB 3.91Å; P542-H597 WeakPolarHBondContact CG-CD2 3.37Å; P542-Y609 WeakPolarHBondContact O-CE1 3.25Å; P542-Y609 PolarHBondContact O-OH 3.4Å
543	D	83.7	Confident	89.4	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	41.3	165.5	-65.3	-16.1	0	0	0	115.9	N545 Y546 Y609 Y611	D543-N545 PolarHBondContact O-N 3.03Å; D543-Y546 HydrophobicContact CB-CD2 3.95Å; D543-Y546 PolarHBondContact O-N 2.8Å; D543-Y609 HydrophobicContact CB-CD1 4.39Å; D543-Y609 HydrophobicContact CB-CE1 4.18Å; D543-Y611 HydrophobicContact CB-CE1 4.08Å; D543-Y611 WeakPolarHBondContact OD2-CE1 3.42Å; D543-Y611 PolarHBondContact OD2-OH 3.29Å; D543-Y611 VanDerWaalsContact OD2-OH 3.13Å
544	V	87.7	Confident	89.4	Confident	71 Å²	71	60.6 Å²	60.6	43%	0.43	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-50.2	-34.2	-174.9	-177.2	0	0	0	0	113.5	I541 P542 Y546 C547 L550	I541-V544 HydrophobicContact CB-CG2 3.85Å; I541-V544 HydrophobicContact CG2-CG2 4.02Å; I541-V544 VanDerWaalsContact O-CG2 3.27Å; I541-V544 WeakPolarHBondContact O-CG2 3.37Å; P542-V544 VanDerWaalsContact C-N 3.3Å; P542-V544 PolarHBondContact O-N 2.66Å; V544-Y546 PolarHBondContact O-N 3.42Å; V544-C547 PolarHBondContact O-N 3.41Å; V544-L550 HydrophobicContact CG1-CD1 4.31Å
545	N	84.7	Confident	89.3	Confident	150 Å²	150	60.8 Å²	60.8	80%	0.802	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.8	179.2	-63.4	-10.5	0	0	0	113.4	D543	D543-N545 PolarHBondContact O-N 3.03Å
546	Y	85.8	Confident	89.3	Confident	38 Å²	38	56.8 Å²	56.8	15%	0.149	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-102.3	1.5	-178.1	-55.5	-78.2	0	0	0	112.4	D543 V544 I548 Y609 D610 Y611 K613 K614	D543-Y546 HydrophobicContact CB-CD2 3.95Å; D543-Y546 PolarHBondContact O-N 2.8Å; V544-Y546 PolarHBondContact O-N 3.42Å; Y546-I548 PolarHBondContact O-N 2.9Å; Y546-Y609 CarbonylContact O-C 3.42Å; Y546-Y609 VanDerWaalsContact O-CA 3.28Å; Y546-Y609 WeakPolarHBondContact O-CA 3.46Å; Y546-D610 PolarHBondContact O-N 2.86Å; Y546-Y611 HydrophobicContact CD1-CD1 4.37Å; Y546-Y611 HydrophobicContact CD2-CD1 4.3Å; Y546-Y611 HydrophobicContact CD2-CE1 4.26Å; Y546-Y611 AromaticContact CG-CD1 3.98Å; Y546-Y611 HydrophobicContact CG-CD1 3.98Å; Y546-Y611 HydrophobicContact CG-CE1 4.24Å; Y546-K613 HydrophobicContact CE1-CB 4.49Å; Y546-K614 HydrophobicContact CE1-CB 3.62Å; Y546-K614 HydrophobicContact CE1-CG 4.34Å; Y546-K614 WeakPolarHBondContact OH-CG 3.05Å
547	C	85.9	Confident	89.4	Confident	25 Å²	25	54.5 Å²	54.5	17%	0.169	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-77.7	120.3	-179.1	-168.2	0	0	0	0	110.8	V544 F608 Y609	V544-C547 PolarHBondContact O-N 3.41Å; C547-F608 CarbonylContact C-O 3.5Å; C547-F608 WeakPolarHBondContact CA-O 3.46Å; C547-F608 PolarHBondContact SG-O 3.05Å; C547-Y609 HydrophobicContact CB-CD1 4.05Å; C547-Y609 HydrophobicContact CB-CE1 3.81Å
548	I	86.7	Confident	89.3	Confident	114 Å²	114	54.2 Å²	54.2	59%	0.585	30%	0.297	S	S	*	.	S	Bend	trans	-70.2	-43.6	179.5	-56.3	166.6	0	0	0	110.5	Y546 F608 D610	Y546-I548 PolarHBondContact O-N 2.9Å; I548-F608 PolarHBondContact N-O 3.44Å; I548-D610 HydrophobicContact CD1-CB 3.81Å; I548-D610 HydrophobicContact CG1-CB 3.59Å
549	S	86.7	Confident	89.5	Confident	52 Å²	52	55.4 Å²	55.4	36%	0.364	29%	0.292	S	S	.	.			trans	-141.5	99.5	-175.7	-177.1	0	0	0	0	111.4	E551 G552 L553	S549-E551 VanDerWaalsContact C-N 3.32Å; S549-E551 PolarHBondContact O-N 2.7Å; S549-G552 PolarHBondContact O-N 2.99Å; S549-G552 PolarHBondContact OG-N 3.02Å; S549-G552 VanDerWaalsContact OG-N 3.1Å; S549-L553 WeakPolarHBondContact O-CB 3.28Å; S549-L553 PolarHBondContact O-N 2.75Å
550	L	89.5	Confident	89.4	Confident	46 Å²	46	57 Å²	57	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-36.6	177.2	-158.3	105.2	0	0	0	112.1	L526 L530 I541 V544 L554	L526-L550 HydrophobicContact CD1-CD2 4.4Å; L526-L550 HydrophobicContact CD2-CD2 4.08Å; L526-L550 HydrophobicContact CG-CD2 4.44Å; L530-L550 HydrophobicContact CD1-CD2 3.42Å; L530-L550 VanDerWaalsContact CD1-CD2 3.42Å; I541-L550 HydrophobicContact CD1-CD1 3.83Å; I541-L550 HydrophobicContact CD1-CG 4.25Å; V544-L550 HydrophobicContact CG1-CD1 4.31Å; L550-L554 HydrophobicContact CD2-CD1 4.12Å; L550-L554 HydrophobicContact CG-CD1 4.49Å; L550-L554 WeakPolarHBondContact O-CG 3.34Å; L550-L554 PolarHBondContact O-N 3.14Å
551	E	90.8	Very high	89.5	Confident	117 Å²	117	49.3 Å²	49.3	55%	0.547	27%	0.265	S	S	.	.	H	α-helix	trans	-66.9	-42.6	176.1	-67.9	-173.5	170	0	0	111.6	V513 L526 S549 L554 T555	V513-E551 HydrophobicContact CG1-CB 4.28Å; V513-E551 HydrophobicContact CG1-CG 4.34Å; L526-E551 HydrophobicContact CD2-CG 3.8Å; S549-E551 VanDerWaalsContact C-N 3.32Å; S549-E551 PolarHBondContact O-N 2.7Å; E551-L554 PolarHBondContact O-N 2.91Å; E551-T555 WeakPolarHBondContact O-CB 3.27Å; E551-T555 PolarHBondContact O-N 3.22Å; E551-T555 PolarHBondContact O-OG1 3.15Å
552	G	90.4	Very high	89.5	Confident	24 Å²	24	49.8 Å²	49.8	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-45.8	175.7	0	0	0	0	0	111.6	S549 L554 T555 Y556	S549-G552 PolarHBondContact O-N 2.99Å; S549-G552 PolarHBondContact OG-N 3.02Å; S549-G552 VanDerWaalsContact OG-N 3.1Å; G552-L554 PolarHBondContact O-N 2.66Å; G552-T555 PolarHBondContact O-N 2.68Å; G552-Y556 PolarHBondContact O-N 2.62Å
553	L	91.2	Very high	89.6	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-47.8	176.9	178.1	63.4	0	0	0	111.8	I541 S549 T555 Y556 L557 L605 F608 Y609	I541-L553 HydrophobicContact CG2-CD2 3.72Å; S549-L553 WeakPolarHBondContact O-CB 3.28Å; S549-L553 PolarHBondContact O-N 2.75Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-T555 PolarHBondContact O-N 3.14Å; L553-Y556 PolarHBondContact O-N 3.49Å; L553-L557 HydrophobicContact CD1-CD1 4.3Å; L553-L557 HydrophobicContact CD1-CG 4.33Å; L553-L557 HydrophobicContact CG-CD1 4.15Å; L553-L557 VanDerWaalsContact O-CG 3.27Å; L553-L557 WeakPolarHBondContact O-CG 3.14Å; L553-L557 PolarHBondContact O-N 3.06Å; L553-L605 HydrophobicContact CD1-CD2 3.65Å; L553-F608 HydrophobicContact CB-CB 4.29Å; L553-F608 HydrophobicContact CB-CD1 4.31Å; L553-F608 HydrophobicContact CB-CG 4.22Å; L553-F608 HydrophobicContact CD1-CB 4.3Å; L553-F608 HydrophobicContact CD1-CD2 3.99Å; L553-F608 HydrophobicContact CD1-CG 4.16Å; L553-Y609 HydrophobicContact CD2-CE2 4.35Å; L553-Y609 WeakPolarHBondContact CD2-OH 3.38Å
554	L	92.5	Very high	89.9	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-34.1	-179.8	-73.4	168.5	0	0	0	112.9	V513 L517 L526 L530 F539 L550 E551 G552 L557 H558	V513-L554 HydrophobicContact CG1-CB 4.18Å; L517-L554 HydrophobicContact CD1-CD2 3.84Å; L526-L554 HydrophobicContact CD1-CD1 3.25Å; L530-L554 HydrophobicContact CD2-CD1 4.04Å; L530-L554 HydrophobicContact CD2-CD2 4.26Å; L530-L554 HydrophobicContact CG-CD1 4.44Å; F539-L554 HydrophobicContact CE1-CD2 4.39Å; L550-L554 HydrophobicContact CD2-CD1 4.12Å; L550-L554 HydrophobicContact CG-CD1 4.49Å; L550-L554 WeakPolarHBondContact O-CG 3.34Å; L550-L554 PolarHBondContact O-N 3.14Å; E551-L554 PolarHBondContact O-N 2.91Å; G552-L554 PolarHBondContact O-N 2.66Å; L554-L557 PolarHBondContact O-N 3.05Å; L554-H558 VanDerWaalsContact O-CB 3.28Å; L554-H558 WeakPolarHBondContact O-CB 3.31Å; L554-H558 PolarHBondContact O-N 3.15Å
555	T	92.2	Very high	90.1	Very high	50 Å²	50	52.2 Å²	52.2	31%	0.307	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-44.6	174.6	-54.6	0	0	0	0	110.3	V512 E551 G552 L553 H558 D559	V512-T555 HydrophobicContact CG1-CG2 4.5Å; E551-T555 WeakPolarHBondContact O-CB 3.27Å; E551-T555 PolarHBondContact O-N 3.22Å; E551-T555 PolarHBondContact O-OG1 3.15Å; G552-T555 PolarHBondContact O-N 2.68Å; L553-T555 VanDerWaalsContact C-N 3.34Å; L553-T555 PolarHBondContact O-N 3.14Å; T555-H558 PolarHBondContact O-N 3.26Å; T555-D559 PolarHBondContact O-N 2.93Å
556	Y	92.2	Very high	90.4	Very high	66 Å²	66	47.1 Å²	47.1	26%	0.259	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-45.6	174.6	175.2	-109.2	0	0	0	112.8	G552 L553 H558 D559 K560 E604 L605 F608	G552-Y556 PolarHBondContact O-N 2.62Å; L553-Y556 PolarHBondContact O-N 3.49Å; Y556-H558 VanDerWaalsContact C-N 3.27Å; Y556-H558 PolarHBondContact O-N 3Å; Y556-D559 PolarHBondContact O-N 2.75Å; Y556-K560 HydrophobicContact CE1-CD 4.37Å; Y556-K560 PolarHBondContact O-N 2.81Å; Y556-K560 WeakPolarHBondContact OH-CE 3.48Å; Y556-K560 PolarHBondContact OH-NZ 3.4Å; Y556-E604 PolarHBondContact OH-OE2 3Å; Y556-L605 HydrophobicContact CE1-CD2 4.32Å; Y556-F608 AromaticContact CD1-CE2 3.87Å; Y556-F608 HydrophobicContact CD1-CE2 3.87Å; Y556-F608 HydrophobicContact CD1-CZ 4.29Å; Y556-F608 HydrophobicContact CD2-CZ 4.45Å; Y556-F608 HydrophobicContact CE1-CE2 4.4Å; Y556-F608 AromaticContact CG-CE2 3.97Å; Y556-F608 HydrophobicContact CG-CE2 3.97Å; Y556-F608 AromaticContact CG-CZ 3.91Å; Y556-F608 HydrophobicContact CG-CZ 3.91Å
557	L	92.7	Very high	90.8	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-35.5	176.3	-66.8	175.1	0	0	0	111.6	L517 F539 L553 L554 V561 L568 V595	L517-L557 HydrophobicContact CD1-CB 4.09Å; L517-L557 HydrophobicContact CD2-CB 4.27Å; F539-L557 HydrophobicContact CZ-CD1 3.92Å; L553-L557 HydrophobicContact CD1-CD1 4.3Å; L553-L557 HydrophobicContact CD1-CG 4.33Å; L553-L557 HydrophobicContact CG-CD1 4.15Å; L553-L557 VanDerWaalsContact O-CG 3.27Å; L553-L557 WeakPolarHBondContact O-CG 3.14Å; L553-L557 PolarHBondContact O-N 3.06Å; L554-L557 PolarHBondContact O-N 3.05Å; L557-V561 WeakPolarHBondContact O-CG2 3.43Å; L557-V561 PolarHBondContact O-N 2.7Å; L557-L568 HydrophobicContact CB-CD1 4.44Å; L557-L568 HydrophobicContact CD2-CD1 4.15Å; L557-L568 HydrophobicContact CD2-CD2 3.64Å; L557-L568 HydrophobicContact CD2-CG 4.47Å; L557-V595 HydrophobicContact CD1-CG2 3.83Å; L557-V595 HydrophobicContact CD2-CG1 4.17Å; L557-V595 HydrophobicContact CD2-CG2 4.02Å
558	H	92.4	Very high	91	Very high	31 Å²	31	45.1 Å²	45.1	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-45	175.2	-178.3	-81.5	0	0	0	111.1	V512 L517 L554 T555 Y556 K560 V561 A562	V512-H558 HydrophobicContact CG1-CB 3.46Å; V512-H558 VanDerWaalsContact CG1-CB 3.46Å; V512-H558 VanDerWaalsContact CG1-ND1 3.3Å; V512-H558 WeakPolarHBondContact CG1-ND1 3.48Å; L517-H558 HydrophobicContact CD2-CB 3.79Å; L554-H558 VanDerWaalsContact O-CB 3.28Å; L554-H558 WeakPolarHBondContact O-CB 3.31Å; L554-H558 PolarHBondContact O-N 3.15Å; T555-H558 PolarHBondContact O-N 3.26Å; Y556-H558 VanDerWaalsContact C-N 3.27Å; Y556-H558 PolarHBondContact O-N 3Å; H558-K560 VanDerWaalsContact C-N 3.32Å; H558-K560 PolarHBondContact O-N 3.33Å; H558-V561 PolarHBondContact O-N 3.44Å; H558-V561 VanDerWaalsContact O-N 3.14Å; H558-A562 VanDerWaalsContact CE1-CB 3.41Å; H558-A562 WeakPolarHBondContact CE1-CB 3.34Å; H558-A562 WeakPolarHBondContact O-CB 3.49Å; H558-A562 PolarHBondContact O-N 2.82Å
559	D	92	Very high	91.2	Very high	76 Å²	76	43.1 Å²	43.1	41%	0.406	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-40	177.1	-76.5	-7.1	0	0	0	111.8	T555 Y556 V561 T563 D564	T555-D559 PolarHBondContact O-N 2.93Å; Y556-D559 PolarHBondContact O-N 2.75Å; D559-V561 VanDerWaalsContact C-N 3.31Å; D559-V561 PolarHBondContact O-N 3.42Å; D559-T563 WeakPolarHBondContact O-CA 3.49Å; D559-T563 WeakPolarHBondContact O-CB 3.5Å; D559-T563 PolarHBondContact O-N 3.05Å; D559-T563 PolarHBondContact O-OG1 3.19Å; D559-D564 PolarHBondContact O-N 3.15Å
560	K	91.7	Very high	91.2	Very high	40 Å²	40	41.8 Å²	41.8	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-36.5	173.9	-84.2	-155.7	169.8	-172.4	0	113.9	Y556 H558 H565 L566 L568 E604	Y556-K560 HydrophobicContact CE1-CD 4.37Å; Y556-K560 PolarHBondContact O-N 2.81Å; Y556-K560 WeakPolarHBondContact OH-CE 3.48Å; Y556-K560 PolarHBondContact OH-NZ 3.4Å; H558-K560 VanDerWaalsContact C-N 3.32Å; H558-K560 PolarHBondContact O-N 3.33Å; K560-H565 PolarHBondContact O-N 2.98Å; K560-L566 PolarHBondContact O-N 3.22Å; K560-L568 HydrophobicContact CB-CD2 4.1Å; K560-L568 HydrophobicContact CD-CD2 4.46Å; K560-E604 IonicContact NZ-OE1 3.31Å; K560-E604 IonicContact NZ-OE2 3.94Å; K560-E604 PolarHBondContact NZ-OE2 3.22Å
561	V	92.9	Very high	90.3	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-85.9	-43.3	-177.9	178.2	0	0	0	0	111.3	L517 L557 H558 D559 H565 L568 L580 Q584 M587	L517-V561 HydrophobicContact CD2-CG2 4.43Å; L557-V561 WeakPolarHBondContact O-CG2 3.43Å; L557-V561 PolarHBondContact O-N 2.7Å; H558-V561 PolarHBondContact O-N 3.44Å; H558-V561 VanDerWaalsContact O-N 3.14Å; D559-V561 VanDerWaalsContact C-N 3.31Å; D559-V561 PolarHBondContact O-N 3.42Å; V561-H565 WeakPolarHBondContact O-CA 3.45Å; V561-H565 PolarHBondContact O-N 3.1Å; V561-L568 HydrophobicContact CG2-CD1 4.02Å; V561-L568 HydrophobicContact CG2-CD2 4.02Å; V561-L568 HydrophobicContact CG2-CG 3.81Å; V561-L580 HydrophobicContact CG1-CD1 3.67Å; V561-L580 WeakPolarHBondContact O-CD1 3.33Å; V561-Q584 HydrophobicContact CG1-CG 4.31Å; V561-M587 HydrophobicContact CG1-SD 4.3Å; V561-M587 HydrophobicContact CG2-CE 3.79Å; V561-M587 HydrophobicContact CG2-SD 4.32Å
562	A	90.6	Very high	89.3	Confident	24 Å²	24	42.6 Å²	42.6	20%	0.198	23%	0.232	C	C	.	.	H	α-helix	trans	-80.2	-44.3	-175.6	0	0	0	0	0	113.2	H558 H565	H558-A562 VanDerWaalsContact CE1-CB 3.41Å; H558-A562 WeakPolarHBondContact CE1-CB 3.34Å; H558-A562 WeakPolarHBondContact O-CB 3.49Å; H558-A562 PolarHBondContact O-N 2.82Å; A562-H565 PolarHBondContact O-CE1 3.32Å; A562-H565 PolarHBondContact O-ND1 3.23Å; A562-H565 VanDerWaalsContact O-ND1 3.16Å
563	T	90	Very high	88.4	Confident	94 Å²	94	50.6 Å²	50.6	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-50.7	-174.7	-48.2	0	0	0	0	111	D559	D559-T563 WeakPolarHBondContact O-CA 3.49Å; D559-T563 WeakPolarHBondContact O-CB 3.5Å; D559-T563 PolarHBondContact O-N 3.05Å; D559-T563 PolarHBondContact O-OG1 3.19Å
564	D	89.2	Confident	87.5	Confident	82 Å²	82	51.6 Å²	51.6	44%	0.439	27%	0.267	S	S	.	.	S	Bend	trans	-88	-11	-175.2	-58.4	-34.6	0	0	0	113.5	D559 L566 P576	D559-D564 PolarHBondContact O-N 3.15Å; D564-L566 HydrophobicContact CB-CB 4.42Å; D564-L566 HydrophobicContact CB-CD1 3.66Å; D564-L566 HydrophobicContact CB-CG 3.81Å; D564-L566 PolarHBondContact O-N 3.39Å; D564-P576 WeakPolarHBondContact O-CB 3.03Å
565	H	92.4	Very high	87	Confident	52 Å²	52	60.1 Å²	60.1	24%	0.241	30%	0.304	C	S	.	.			trans	51.3	41.9	-174.7	-54.1	-32.9	0	0	0	112	K560 V561 A562 F577 L580	K560-H565 PolarHBondContact O-N 2.98Å; V561-H565 WeakPolarHBondContact O-CA 3.45Å; V561-H565 PolarHBondContact O-N 3.1Å; A562-H565 PolarHBondContact O-CE1 3.32Å; A562-H565 PolarHBondContact O-ND1 3.23Å; A562-H565 VanDerWaalsContact O-ND1 3.16Å; H565-F577 HydrophobicContact CB-CB 4.26Å; H565-F577 WeakPolarHBondContact CB-O 3.4Å; H565-F577 VanDerWaalsContact O-CD2 3.23Å; H565-F577 WeakPolarHBondContact O-CD2 3.42Å; H565-F577 PolarHBondContact O-N 3.47Å; H565-L580 PolarHBondContact CE1-N 3.45Å; H565-L580 PolarHBondContact ND1-N 3.45Å
566	L	91.7	Very high	86.8	Confident	43 Å²	43	62 Å²	62	23%	0.225	32%	0.317	C	S	.	.			trans	-101.1	150.9	-179.9	-69.6	170.4	0	0	0	111.6	K560 D564 P576	K560-L566 PolarHBondContact O-N 3.22Å; D564-L566 HydrophobicContact CB-CB 4.42Å; D564-L566 HydrophobicContact CB-CD1 3.66Å; D564-L566 HydrophobicContact CB-CG 3.81Å; D564-L566 PolarHBondContact O-N 3.39Å; L566-P576 HydrophobicContact CD2-CB 3.96Å
567	C	92.5	Very high	86.7	Confident	5 Å²	5	61 Å²	61	3%	0.034	31%	0.314	C	S	.	.			trans	-89.9	123.4	173.1	172.3	0	0	0	0	110.2	W569 C570 F577 H586 M587	C567-W569 PolarHBondContact O-N 2.98Å; C567-W569 VanDerWaalsContact O-N 3.07Å; C567-C570 HydrophobicContact CB-CB 4.01Å; C567-C570 PolarHBondContact O-N 2.89Å; C567-F577 HydrophobicContact CB-CE2 3.77Å; C567-F577 HydrophobicContact CB-CZ 4.5Å; C567-H586 VanDerWaalsContact SG-CD2 3.55Å; C567-H586 PolarHBondContact SG-NE2 3.17Å; C567-M587 HydrophobicContact CB-CG 4.42Å
568	L	90.8	Very high	86.6	Confident	16 Å²	16	70.2 Å²	70.2	8%	0.084	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.4	-177.5	-62.7	175.8	0	0	0	114.4	F518 L557 K560 V561 M587 F596	F518-L568 HydrophobicContact CE1-CD1 4.32Å; F518-L568 HydrophobicContact CZ-CD1 4.29Å; L557-L568 HydrophobicContact CB-CD1 4.44Å; L557-L568 HydrophobicContact CD2-CD1 4.15Å; L557-L568 HydrophobicContact CD2-CD2 3.64Å; L557-L568 HydrophobicContact CD2-CG 4.47Å; K560-L568 HydrophobicContact CB-CD2 4.1Å; K560-L568 HydrophobicContact CD-CD2 4.46Å; V561-L568 HydrophobicContact CG2-CD1 4.02Å; V561-L568 HydrophobicContact CG2-CD2 4.02Å; V561-L568 HydrophobicContact CG2-CG 3.81Å; L568-M587 HydrophobicContact CB-CE 3.67Å; L568-M587 HydrophobicContact CD1-CE 3.75Å; L568-M587 HydrophobicContact CG-CE 3.41Å; L568-M587 VanDerWaalsContact CG-CE 3.41Å; L568-M587 VanDerWaalsContact N-CE 3.32Å; L568-F596 WeakPolarHBondContact O-CB 3.36Å; L568-F596 PolarHBondContact O-N 3.44Å
569	W	90.5	Very high	86.6	Confident	73 Å²	73	71 Å²	71	28%	0.277	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-31.4	179.1	-167.6	-102.3	0	0	0	114.3	C567 S571 H592 K594 V595 F596 Y598	C567-W569 PolarHBondContact O-N 2.98Å; C567-W569 VanDerWaalsContact O-N 3.07Å; W569-S571 PolarHBondContact O-N 3.32Å; W569-S571 VanDerWaalsContact O-N 3.13Å; W569-H592 HydrophobicContact CB-CB 3.73Å; W569-H592 AromaticContact CD1-CD2 3.54Å; W569-H592 AromaticContact CD1-CG 3.94Å; W569-H592 AromaticContact CD1-NE2 3.72Å; W569-H592 HydrophobicContact CG-CB 4.43Å; W569-K594 HydrophobicContact CD2-CB 4.45Å; W569-K594 HydrophobicContact CE3-CB 3.72Å; W569-K594 HydrophobicContact CZ3-CB 3.98Å; W569-V595 WeakPolarHBondContact CZ3-O 3.32Å; W569-F596 HydrophobicContact CD2-CD2 4.2Å; W569-F596 HydrophobicContact CE3-CB 4.02Å; W569-F596 HydrophobicContact CE3-CD2 4.14Å; W569-F596 HydrophobicContact CH2-CD2 4.27Å; W569-F596 HydrophobicContact CZ2-CD2 4.28Å; W569-F596 HydrophobicContact CZ3-CB 4.45Å; W569-F596 HydrophobicContact CZ3-CD2 4.19Å; W569-Y598 HydrophobicContact CH2-CD2 4.36Å; W569-Y598 AromaticContact CH2-CE2 3.97Å; W569-Y598 HydrophobicContact CH2-CE2 3.97Å
570	C	86.8	Confident	86.7	Confident	24 Å²	24	70.2 Å²	70.2	16%	0.162	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.5	-174.8	-82.7	0	0	0	0	113.7	C567 K573 S574 H586 H592	C567-C570 HydrophobicContact CB-CB 4.01Å; C567-C570 PolarHBondContact O-N 2.89Å; C570-K573 WeakPolarHBondContact O-CB 3.37Å; C570-S574 WeakPolarHBondContact CB-OG 3.17Å; C570-H586 PolarHBondContact SG-NE2 3.17Å; C570-H592 PolarHBondContact SG-CE1 3.48Å; C570-H592 PolarHBondContact SG-ND1 3.46Å
571	S	71.7	Confident	86.7	Confident	37 Å²	37	71.2 Å²	71.2	26%	0.259	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	52.6	-167.9	-172	72	0	0	0	0	111.7	W569 K573 S574	W569-S571 PolarHBondContact O-N 3.32Å; W569-S571 VanDerWaalsContact O-N 3.13Å; S571-K573 PolarHBondContact O-N 3.22Å; S571-S574 PolarHBondContact O-N 2.84Å; S571-S574 PolarHBondContact O-OG 3.19Å
572	D	68.6	Low	86.8	Confident	143 Å²	143	72.6 Å²	72.6	77%	0.765	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.4	-3.9	175.2	-52	-35	0	0	0	113.9	S574	D572-S574 VanDerWaalsContact C-N 3.27Å; D572-S574 PolarHBondContact O-N 2.85Å
573	K	71.4	Confident	86.9	Confident	192 Å²	192	71.4 Å²	71.4	84%	0.835	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-69.2	-22.4	173.9	-59.6	178.1	-174.6	-179.9	0	112.8	C570 S571	C570-K573 WeakPolarHBondContact O-CB 3.37Å; S571-K573 PolarHBondContact O-N 3.22Å
574	S	72.4	Confident	87.1	Confident	24 Å²	24	68.1 Å²	68.1	17%	0.168	36%	0.357	C	S	.	.	S	Bend	trans	-100.9	134.8	176.9	58.6	0	0	0	0	112.4	C570 S571 D572	C570-S574 WeakPolarHBondContact CB-OG 3.17Å; S571-S574 PolarHBondContact O-N 2.84Å; S571-S574 PolarHBondContact O-OG 3.19Å; D572-S574 VanDerWaalsContact C-N 3.27Å; D572-S574 PolarHBondContact O-N 2.85Å
575	K	82.2	Confident	87.3	Confident	185 Å²	185	66.9 Å²	66.9	80%	0.804	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-60.1	147.7	165.3	-64	-177.3	-179.8	-177.4	0	110
576	P	87.9	Confident	87.4	Confident	88 Å²	88	65.6 Å²	65.6	57%	0.571	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-58.1	141	173.4	25.2	-33.8	0	0	0	110.6	D564 L566	D564-P576 WeakPolarHBondContact O-CB 3.03Å; L566-P576 HydrophobicContact CD2-CB 3.96Å
577	F	90.6	Very high	87.5	Confident	47 Å²	47	63.6 Å²	63.6	21%	0.206	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73.9	156.5	177.2	-64.6	-80.8	0	0	0	110.3	H565 C567 S579 A582 A583 H586	H565-F577 HydrophobicContact CB-CB 4.26Å; H565-F577 WeakPolarHBondContact CB-O 3.4Å; H565-F577 VanDerWaalsContact O-CD2 3.23Å; H565-F577 WeakPolarHBondContact O-CD2 3.42Å; H565-F577 PolarHBondContact O-N 3.47Å; C567-F577 HydrophobicContact CB-CE2 3.77Å; C567-F577 HydrophobicContact CB-CZ 4.5Å; F577-S579 PolarHBondContact O-N 2.95Å; F577-A582 HydrophobicContact CB-CB 4.11Å; F577-A583 HydrophobicContact CB-CB 4.06Å; F577-A583 HydrophobicContact CD2-CB 3.7Å; F577-A583 HydrophobicContact CG-CB 4.09Å; F577-H586 HydrophobicContact CD1-CB 4.48Å; F577-H586 HydrophobicContact CE1-CB 3.78Å; F577-H586 AromaticContact CE1-CG 3.72Å; F577-H586 AromaticContact CE1-ND1 3.81Å; F577-H586 HydrophobicContact CE2-CB 4.29Å; F577-H586 AromaticContact CE2-CD2 3.85Å; F577-H586 AromaticContact CE2-CG 3.99Å; F577-H586 HydrophobicContact CZ-CB 3.7Å; F577-H586 AromaticContact CZ-CD2 3.45Å; F577-H586 VanDerWaalsContact CZ-CD2 3.45Å; F577-H586 WeakPolarHBondContact CZ-CD2 3.46Å; F577-H586 AromaticContact CZ-CE1 3.74Å; F577-H586 AromaticContact CZ-CG 3.24Å; F577-H586 AromaticContact CZ-ND1 3.46Å; F577-H586 WeakPolarHBondContact CZ-ND1 3.28Å; F577-H586 AromaticContact CZ-NE2 3.78Å
578	Q	90.6	Very high	87.6	Confident	195 Å²	195	68 Å²	68	91%	0.911	35%	0.352	S	S	*	.	S	Bend	trans	-71.4	-17.2	-178	-69.5	-178.5	-7.3	0	0	113.9
579	S	92.9	Very high	87.7	Confident	47 Å²	47	73.5 Å²	73.5	33%	0.329	38%	0.382	S	S	.	.	S	Bend	trans	-156.6	157.7	-179.5	63.2	0	0	0	0	110.9	F577 A581 A582 A583	F577-S579 PolarHBondContact O-N 2.95Å; S579-A581 PolarHBondContact O-N 3.39Å; S579-A582 WeakPolarHBondContact O-CB 3.19Å; S579-A582 PolarHBondContact O-N 3.47Å; S579-A582 VanDerWaalsContact O-N 3.08Å; S579-A582 WeakPolarHBondContact OG-CB 2.97Å; S579-A582 PolarHBondContact OG-N 2.88Å; S579-A582 VanDerWaalsContact OG-N 3.16Å; S579-A583 PolarHBondContact O-N 3.06Å
580	L	92.6	Very high	87.8	Confident	61 Å²	61	76.3 Å²	76.3	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-52.9	-42.8	170.5	171.2	58.9	0	0	0	111.6	V561 H565 A582 A583 Q584	V561-L580 HydrophobicContact CG1-CD1 3.67Å; V561-L580 WeakPolarHBondContact O-CD1 3.33Å; H565-L580 PolarHBondContact CE1-N 3.45Å; H565-L580 PolarHBondContact ND1-N 3.45Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 2.92Å; L580-A583 PolarHBondContact O-N 3.29Å; L580-Q584 HydrophobicContact CD1-CG 3.8Å; L580-Q584 HydrophobicContact CG-CG 4.4Å; L580-Q584 WeakPolarHBondContact O-CB 3.45Å; L580-Q584 WeakPolarHBondContact O-CG 3.36Å; L580-Q584 PolarHBondContact O-N 3.09Å
581	A	93.3	Very high	88	Confident	61 Å²	61	77 Å²	77	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-42	178.6	0	0	0	0	0	111.7	S579 Q584 T585	S579-A581 PolarHBondContact O-N 3.39Å; A581-Q584 PolarHBondContact O-N 3.01Å; A581-T585 VanDerWaalsContact O-CG2 3.26Å; A581-T585 WeakPolarHBondContact O-CG2 3.21Å; A581-T585 PolarHBondContact O-N 3.27Å; A581-T585 PolarHBondContact O-OG1 3.38Å; A581-T585 VanDerWaalsContact O-OG1 3.06Å
582	A	93.9	Very high	89	Confident	31 Å²	31	77 Å²	77	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-67.6	-38.6	177.5	0	0	0	0	0	112.7	F577 S579 L580 T585 H586	F577-A582 HydrophobicContact CB-CB 4.11Å; S579-A582 WeakPolarHBondContact O-CB 3.19Å; S579-A582 PolarHBondContact O-N 3.47Å; S579-A582 VanDerWaalsContact O-N 3.08Å; S579-A582 WeakPolarHBondContact OG-CB 2.97Å; S579-A582 PolarHBondContact OG-N 2.88Å; S579-A582 VanDerWaalsContact OG-N 3.16Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 2.92Å; A582-T585 WeakPolarHBondContact CA-OG1 3.45Å; A582-T585 PolarHBondContact O-OG1 3.45Å; A582-H586 VanDerWaalsContact O-CB 3.29Å; A582-H586 WeakPolarHBondContact O-CB 3.33Å; A582-H586 PolarHBondContact O-N 3.41Å
583	A	92.9	Very high	90.1	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-47.8	174.2	0	0	0	0	0	111.1	F577 S579 L580 H586 M587	F577-A583 HydrophobicContact CB-CB 4.06Å; F577-A583 HydrophobicContact CD2-CB 3.7Å; F577-A583 HydrophobicContact CG-CB 4.09Å; S579-A583 PolarHBondContact O-N 3.06Å; L580-A583 PolarHBondContact O-N 3.29Å; A583-H586 WeakPolarHBondContact O-CB 3.34Å; A583-H586 PolarHBondContact O-N 3.49Å; A583-M587 VanDerWaalsContact O-CG 3.26Å; A583-M587 WeakPolarHBondContact O-CG 3.35Å; A583-M587 PolarHBondContact O-N 2.88Å
584	Q	94.2	Very high	91.1	Very high	25 Å²	25	66.4 Å²	66.4	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-39.3	179	-72.4	-177	-23.5	0	0	112.8	L517 V561 L580 A581 M587 R588	L517-Q584 PolarHBondContact O-NE2 3.01Å; V561-Q584 HydrophobicContact CG1-CG 4.31Å; L580-Q584 HydrophobicContact CD1-CG 3.8Å; L580-Q584 HydrophobicContact CG-CG 4.4Å; L580-Q584 WeakPolarHBondContact O-CB 3.45Å; L580-Q584 WeakPolarHBondContact O-CG 3.36Å; L580-Q584 PolarHBondContact O-N 3.09Å; A581-Q584 PolarHBondContact O-N 3.01Å; Q584-M587 PolarHBondContact O-N 3.21Å; Q584-R588 WeakPolarHBondContact O-CG 3.43Å; Q584-R588 PolarHBondContact O-N 3.42Å; Q584-R588 VanDerWaalsContact O-N 3.12Å; Q584-R588 PolarHBondContact O-NH1 3.09Å
585	T	93.3	Very high	91.9	Very high	55 Å²	55	65.9 Å²	65.9	34%	0.337	35%	0.346	S	S	.	.	H	α-helix	trans	-63.9	-44.8	173.7	52.2	0	0	0	0	110.7	A581 A582 M587 R588 D589	A581-T585 VanDerWaalsContact O-CG2 3.26Å; A581-T585 WeakPolarHBondContact O-CG2 3.21Å; A581-T585 PolarHBondContact O-N 3.27Å; A581-T585 PolarHBondContact O-OG1 3.38Å; A581-T585 VanDerWaalsContact O-OG1 3.06Å; A582-T585 WeakPolarHBondContact CA-OG1 3.45Å; A582-T585 PolarHBondContact O-OG1 3.45Å; T585-M587 VanDerWaalsContact C-N 3.31Å; T585-M587 PolarHBondContact O-N 3.25Å; T585-R588 VanDerWaalsContact CG2-NH2 3.33Å; T585-R588 PolarHBondContact O-N 3.17Å; T585-D589 WeakPolarHBondContact O-CB 3.49Å; T585-D589 PolarHBondContact O-N 3.19Å
586	H	93.8	Very high	92.2	Very high	26 Å²	26	60 Å²	60	12%	0.12	32%	0.321	C	S	.	.	H	α-helix	trans	-57.5	-44.5	175.8	168.2	90.3	0	0	0	112.4	C567 C570 F577 A582 A583 K590 H592	C567-H586 VanDerWaalsContact SG-CD2 3.55Å; C567-H586 PolarHBondContact SG-NE2 3.17Å; C570-H586 PolarHBondContact SG-NE2 3.17Å; F577-H586 HydrophobicContact CD1-CB 4.48Å; F577-H586 HydrophobicContact CE1-CB 3.78Å; F577-H586 AromaticContact CE1-CG 3.72Å; F577-H586 AromaticContact CE1-ND1 3.81Å; F577-H586 HydrophobicContact CE2-CB 4.29Å; F577-H586 AromaticContact CE2-CD2 3.85Å; F577-H586 AromaticContact CE2-CG 3.99Å; F577-H586 HydrophobicContact CZ-CB 3.7Å; F577-H586 AromaticContact CZ-CD2 3.45Å; F577-H586 VanDerWaalsContact CZ-CD2 3.45Å; F577-H586 WeakPolarHBondContact CZ-CD2 3.46Å; F577-H586 AromaticContact CZ-CE1 3.74Å; F577-H586 AromaticContact CZ-CG 3.24Å; F577-H586 AromaticContact CZ-ND1 3.46Å; F577-H586 WeakPolarHBondContact CZ-ND1 3.28Å; F577-H586 AromaticContact CZ-NE2 3.78Å; A582-H586 VanDerWaalsContact O-CB 3.29Å; A582-H586 WeakPolarHBondContact O-CB 3.33Å; A582-H586 PolarHBondContact O-N 3.41Å; A583-H586 WeakPolarHBondContact O-CB 3.34Å; A583-H586 PolarHBondContact O-N 3.49Å; H586-K590 VanDerWaalsContact CE1-CD 3.47Å; H586-K590 WeakPolarHBondContact CE1-CD 3.35Å; H586-K590 WeakPolarHBondContact O-CB 3.27Å; H586-K590 PolarHBondContact O-N 3.38Å; H586-H592 AromaticContact NE2-ND1 3.3Å; H586-H592 PolarHBondContact NE2-ND1 3.44Å
587	M	94.5	Very high	92	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-44.2	180	-72.4	171	127	0	0	112.1	F518 V561 C567 L568 A583 Q584 T585 G591 H592 C593	F518-M587 HydrophobicContact CD1-CB 4.07Å; F518-M587 HydrophobicContact CD1-CE 4.16Å; F518-M587 HydrophobicContact CD1-CG 4.48Å; F518-M587 HydrophobicContact CD1-SD 3.68Å; F518-M587 HydrophobicContact CE1-CE 3.6Å; F518-M587 HydrophobicContact CE1-SD 3.76Å; V561-M587 HydrophobicContact CG1-SD 4.3Å; V561-M587 HydrophobicContact CG2-CE 3.79Å; V561-M587 HydrophobicContact CG2-SD 4.32Å; C567-M587 HydrophobicContact CB-CG 4.42Å; L568-M587 HydrophobicContact CB-CE 3.67Å; L568-M587 HydrophobicContact CD1-CE 3.75Å; L568-M587 HydrophobicContact CG-CE 3.41Å; L568-M587 VanDerWaalsContact CG-CE 3.41Å; L568-M587 VanDerWaalsContact N-CE 3.32Å; A583-M587 VanDerWaalsContact O-CG 3.26Å; A583-M587 WeakPolarHBondContact O-CG 3.35Å; A583-M587 PolarHBondContact O-N 2.88Å; Q584-M587 PolarHBondContact O-N 3.21Å; T585-M587 VanDerWaalsContact C-N 3.31Å; T585-M587 PolarHBondContact O-N 3.25Å; M587-G591 CarbonylContact O-C 3.56Å; M587-G591 PolarHBondContact O-N 3.46Å; M587-G591 VanDerWaalsContact O-N 3.15Å; M587-H592 PolarHBondContact O-N 3.13Å; M587-C593 PolarHBondContact O-SG 3.32Å
588	R	94.3	Very high	91.5	Very high	97 Å²	97	62.7 Å²	62.7	37%	0.366	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-45.8	178.1	-66.5	-171.9	-51.7	-93.8	-2.3	112.1	F518 Q584 T585 K590 G591	F518-R588 PolarHBondContact O-NH1 3.03Å; Q584-R588 WeakPolarHBondContact O-CG 3.43Å; Q584-R588 PolarHBondContact O-N 3.42Å; Q584-R588 VanDerWaalsContact O-N 3.12Å; Q584-R588 PolarHBondContact O-NH1 3.09Å; T585-R588 VanDerWaalsContact CG2-NH2 3.33Å; T585-R588 PolarHBondContact O-N 3.17Å; R588-K590 PolarHBondContact O-N 3.08Å; R588-G591 PolarHBondContact O-N 3.29Å
589	D	94.1	Very high	90.9	Very high	132 Å²	132	56.1 Å²	56.1	71%	0.706	31%	0.306	S	S	*	.	H	α-helix	trans	-67.9	-35.3	-174.4	-64.2	-13.6	0	0	0	112.3	T585	T585-D589 WeakPolarHBondContact O-CB 3.49Å; T585-D589 PolarHBondContact O-N 3.19Å
590	K	92.4	Very high	90	Very high	133 Å²	133	61.2 Å²	61.2	58%	0.578	33%	0.33	S	S	*	.	H	α-helix	trans	-91.2	-5.7	176.6	-65.7	-155.9	-178.9	-171.4	0	114.6	H586 R588 H592	H586-K590 VanDerWaalsContact CE1-CD 3.47Å; H586-K590 WeakPolarHBondContact CE1-CD 3.35Å; H586-K590 WeakPolarHBondContact O-CB 3.27Å; H586-K590 PolarHBondContact O-N 3.38Å; R588-K590 PolarHBondContact O-N 3.08Å; K590-H592 VanDerWaalsContact C-N 3.27Å; K590-H592 PolarHBondContact O-N 3.37Å
591	G	90.8	Very high	89.1	Confident	39 Å²	39	59.3 Å²	59.3	40%	0.402	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	31.5	-172.2	0	0	0	0	0	113.3	M587 R588 C593 K594	M587-G591 CarbonylContact O-C 3.56Å; M587-G591 PolarHBondContact O-N 3.46Å; M587-G591 VanDerWaalsContact O-N 3.15Å; R588-G591 PolarHBondContact O-N 3.29Å; G591-C593 PolarHBondContact O-N 2.94Å; G591-K594 WeakPolarHBondContact O-CE 3.49Å
592	H	92.9	Very high	88.4	Confident	35 Å²	35	60.4 Å²	60.4	16%	0.162	32%	0.319	C	S	.	.			trans	-88.6	25.6	177	-71.7	178.5	0	0	0	112.4	W569 C570 H586 M587 K590 K594	W569-H592 HydrophobicContact CB-CB 3.73Å; W569-H592 AromaticContact CD1-CD2 3.54Å; W569-H592 AromaticContact CD1-CG 3.94Å; W569-H592 AromaticContact CD1-NE2 3.72Å; W569-H592 HydrophobicContact CG-CB 4.43Å; C570-H592 PolarHBondContact SG-CE1 3.48Å; C570-H592 PolarHBondContact SG-ND1 3.46Å; H586-H592 AromaticContact NE2-ND1 3.3Å; H586-H592 PolarHBondContact NE2-ND1 3.44Å; M587-H592 PolarHBondContact O-N 3.13Å; K590-H592 VanDerWaalsContact C-N 3.27Å; K590-H592 PolarHBondContact O-N 3.37Å; H592-K594 PolarHBondContact O-N 3.45Å
593	C	92	Very high	87.8	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.041	34%	0.337	C	S	.	.			trans	-77.9	47.4	175	-57.4	0	0	0	0	111.9	F518 H537 F539 M587 G591	F518-C593 HydrophobicContact CD1-CB 3.99Å; F518-C593 HydrophobicContact CD2-CB 4.17Å; F518-C593 HydrophobicContact CE1-CB 3.86Å; F518-C593 HydrophobicContact CE2-CB 4.04Å; F518-C593 HydrophobicContact CG-CB 4.15Å; F518-C593 HydrophobicContact CZ-CB 3.9Å; H537-C593 HydrophobicContact CB-CB 3.97Å; H537-C593 VanDerWaalsContact O-CB 3.23Å; H537-C593 WeakPolarHBondContact O-CB 3.35Å; F539-C593 WeakPolarHBondContact CA-O 3.39Å; F539-C593 WeakPolarHBondContact CD2-O 3.4Å; M587-C593 PolarHBondContact O-SG 3.32Å; G591-C593 PolarHBondContact O-N 2.94Å
594	K	91.3	Very high	87.3	Confident	108 Å²	108	66.4 Å²	66.4	47%	0.47	36%	0.355	S	S	.	.	S	Bend	trans	-142	148.4	-175.4	-37.2	-179.6	-167.6	-177.6	0	108.5	W569 G591 H592	W569-K594 HydrophobicContact CD2-CB 4.45Å; W569-K594 HydrophobicContact CE3-CB 3.72Å; W569-K594 HydrophobicContact CZ3-CB 3.98Å; G591-K594 WeakPolarHBondContact O-CE 3.49Å; H592-K594 PolarHBondContact O-N 3.45Å
595	V	89.9	Confident	86.9	Confident	12 Å²	12	65.9 Å²	65.9	7%	0.073	35%	0.353	C	S	.	.			trans	-85.4	127.7	174.9	-172.8	0	0	0	0	109.3	F539 L557 W569 H597 L605	F539-V595 HydrophobicContact CE2-CG2 3.55Å; F539-V595 HydrophobicContact CZ-CG2 3.86Å; L557-V595 HydrophobicContact CD1-CG2 3.83Å; L557-V595 HydrophobicContact CD2-CG1 4.17Å; L557-V595 HydrophobicContact CD2-CG2 4.02Å; W569-V595 WeakPolarHBondContact CZ3-O 3.32Å; V595-H597 PolarHBondContact O-N 3.37Å; V595-L605 HydrophobicContact CG1-CD1 3.82Å
596	F	87.7	Confident	86.5	Confident	63 Å²	63	65.5 Å²	65.5	28%	0.276	36%	0.355	S	S	.	.			trans	-72.6	109.8	172.5	-169.2	-103.5	0	0	0	109.5	L568 W569 Y598 A601	L568-F596 WeakPolarHBondContact O-CB 3.36Å; L568-F596 PolarHBondContact O-N 3.44Å; W569-F596 HydrophobicContact CD2-CD2 4.2Å; W569-F596 HydrophobicContact CE3-CB 4.02Å; W569-F596 HydrophobicContact CE3-CD2 4.14Å; W569-F596 HydrophobicContact CH2-CD2 4.27Å; W569-F596 HydrophobicContact CZ2-CD2 4.28Å; W569-F596 HydrophobicContact CZ3-CB 4.45Å; W569-F596 HydrophobicContact CZ3-CD2 4.19Å; F596-Y598 HydrophobicContact CD2-CD2 4.42Å; F596-Y598 WeakPolarHBondContact CE1-O 3.29Å; F596-Y598 HydrophobicContact CE2-CD2 4.27Å; F596-A601 HydrophobicContact CD1-CB 3.66Å; F596-A601 HydrophobicContact CE1-CB 4.27Å; F596-A601 VanDerWaalsContact O-CB 3.29Å; F596-A601 WeakPolarHBondContact O-CB 3.46Å
597	H	83.3	Confident	86.1	Confident	61 Å²	61	70.9 Å²	70.9	28%	0.282	39%	0.385	S	S	.	.			trans	-118.3	24.9	-175.8	67.2	68.7	0	0	0	112.3	P542 V595 I602 L605	P542-H597 HydrophobicContact CB-CB 4.43Å; P542-H597 HydrophobicContact CG-CB 3.91Å; P542-H597 WeakPolarHBondContact CG-CD2 3.37Å; V595-H597 PolarHBondContact O-N 3.37Å; H597-I602 WeakPolarHBondContact O-CD1 3.47Å; H597-I602 WeakPolarHBondContact O-CG1 3.43Å; H597-L605 HydrophobicContact CB-CD1 4.44Å
598	Y	80.1	Confident	85.8	Confident	130 Å²	130	72.7 Å²	72.7	51%	0.51	39%	0.393	S	S	.	.	S	Bend	trans	-111.5	149.6	-179.8	-59.8	-83.9	0	0	0	110.5	W569 F596	W569-Y598 HydrophobicContact CH2-CD2 4.36Å; W569-Y598 AromaticContact CH2-CE2 3.97Å; W569-Y598 HydrophobicContact CH2-CE2 3.97Å; F596-Y598 HydrophobicContact CD2-CD2 4.42Å; F596-Y598 WeakPolarHBondContact CE1-O 3.29Å; F596-Y598 HydrophobicContact CE2-CD2 4.27Å
599	G	77.9	Confident	85.5	Confident	56 Å²	56	69 Å²	69	58%	0.577	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-137.5	177.3	0	0	0	0	0	112.4	A601 I602	G599-A601 PolarHBondContact O-N 3.47Å; G599-A601 VanDerWaalsContact O-N 3.14Å; G599-I602 WeakPolarHBondContact O-CB 3.36Å; G599-I602 WeakPolarHBondContact O-CG1 3.44Å; G599-I602 PolarHBondContact O-N 3.49Å
600	D	75.4	Confident	85	Confident	154 Å²	154	65.4 Å²	65.4	82%	0.824	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.8	-172.9	-59.6	-19.7	0	0	0	113.8	I602 A603	D600-I602 PolarHBondContact O-N 3.03Å; D600-A603 WeakPolarHBondContact O-CB 3.39Å; D600-A603 PolarHBondContact O-N 3.43Å; D600-A603 VanDerWaalsContact O-N 3.09Å
601	A	72.9	Confident	84.4	Confident	21 Å²	21	63.4 Å²	63.4	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-17.6	179.1	0	0	0	0	0	113.8	F596 G599 A603 E604	F596-A601 HydrophobicContact CD1-CB 3.66Å; F596-A601 HydrophobicContact CE1-CB 4.27Å; F596-A601 VanDerWaalsContact O-CB 3.29Å; F596-A601 WeakPolarHBondContact O-CB 3.46Å; G599-A601 PolarHBondContact O-N 3.47Å; G599-A601 VanDerWaalsContact O-N 3.14Å; A601-A603 PolarHBondContact O-N 2.91Å; A601-E604 PolarHBondContact O-N 3.46Å
602	I	79.3	Confident	83.7	Confident	85 Å²	85	70.3 Å²	70.3	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-33.7	173	-62.3	170.7	0	0	0	110.1	H597 G599 D600 E604 L605 A606	H597-I602 WeakPolarHBondContact O-CD1 3.47Å; H597-I602 WeakPolarHBondContact O-CG1 3.43Å; G599-I602 WeakPolarHBondContact O-CB 3.36Å; G599-I602 WeakPolarHBondContact O-CG1 3.44Å; G599-I602 PolarHBondContact O-N 3.49Å; D600-I602 PolarHBondContact O-N 3.03Å; I602-E604 PolarHBondContact O-N 3.48Å; I602-L605 PolarHBondContact O-N 3.01Å; I602-A606 PolarHBondContact O-N 2.89Å
603	A	81.3	Confident	82.3	Confident	75 Å²	75	74.5 Å²	74.5	62%	0.62	38%	0.381	S	S	*	.	H	α-helix	trans	-67	-36	-178.1	0	0	0	0	0	112.7	D600 A601 L605 A606	D600-A603 WeakPolarHBondContact O-CB 3.39Å; D600-A603 PolarHBondContact O-N 3.43Å; D600-A603 VanDerWaalsContact O-N 3.09Å; A601-A603 PolarHBondContact O-N 2.91Å; A603-L605 VanDerWaalsContact C-N 3.31Å; A603-L605 PolarHBondContact O-N 3.39Å; A603-A606 WeakPolarHBondContact O-CB 3.29Å
604	E	82.7	Confident	80.9	Confident	82 Å²	82	79.1 Å²	79.1	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-71.8	-26.9	177.3	-63.2	-174.1	171.2	0	0	113.2	Y556 K560 A601 I602	Y556-E604 PolarHBondContact OH-OE2 3Å; K560-E604 IonicContact NZ-OE1 3.31Å; K560-E604 IonicContact NZ-OE2 3.94Å; K560-E604 PolarHBondContact NZ-OE2 3.22Å; A601-E604 PolarHBondContact O-N 3.46Å; I602-E604 PolarHBondContact O-N 3.48Å
605	L	85.8	Confident	79.3	Confident	14 Å²	14	80.8 Å²	80.8	7%	0.073	41%	0.41	C	S	.	.	H	α-helix	trans	-91.9	-12.7	-179.2	-65.9	168.3	0	0	0	112	L553 Y556 V595 H597 I602 A603 D607 F608 Y609	L553-L605 HydrophobicContact CD1-CD2 3.65Å; Y556-L605 HydrophobicContact CE1-CD2 4.32Å; V595-L605 HydrophobicContact CG1-CD1 3.82Å; H597-L605 HydrophobicContact CB-CD1 4.44Å; I602-L605 PolarHBondContact O-N 3.01Å; A603-L605 VanDerWaalsContact C-N 3.31Å; A603-L605 PolarHBondContact O-N 3.39Å; L605-D607 PolarHBondContact O-N 3.11Å; L605-D607 VanDerWaalsContact O-N 3.15Å; L605-F608 PolarHBondContact O-N 3.4Å; L605-Y609 HydrophobicContact CB-CD2 4.36Å; L605-Y609 HydrophobicContact CB-CE2 4.26Å; L605-Y609 WeakPolarHBondContact O-CD2 3.4Å
606	A	84.3	Confident	77.6	Confident	47 Å²	47	85.5 Å²	85.5	39%	0.388	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-54.7	-35.2	-174.1	0	0	0	0	0	113.3	I602 A603 F608 Y609	I602-A606 PolarHBondContact O-N 2.89Å; A603-A606 WeakPolarHBondContact O-CB 3.29Å; A606-F608 PolarHBondContact O-N 3.45Å; A606-F608 VanDerWaalsContact O-N 3.15Å; A606-Y609 PolarHBondContact O-N 2.92Å; A606-Y609 VanDerWaalsContact O-O 3.05Å
607	D	86.4	Confident	75.9	Confident	139 Å²	139	87.9 Å²	87.9	74%	0.743	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-64.4	-19.8	179.8	-65.5	-15.4	0	0	0	113.5	L605	L605-D607 PolarHBondContact O-N 3.11Å; L605-D607 VanDerWaalsContact O-N 3.15Å
608	F	88	Confident	74.4	Confident	38 Å²	38	90.4 Å²	90.4	17%	0.167	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-99.3	-6.5	-179.1	-52.5	-74.8	0	0	0	113.7	C547 I548 L553 Y556 L605 A606	C547-F608 CarbonylContact C-O 3.5Å; C547-F608 WeakPolarHBondContact CA-O 3.46Å; C547-F608 PolarHBondContact SG-O 3.05Å; I548-F608 PolarHBondContact N-O 3.44Å; L553-F608 HydrophobicContact CB-CB 4.29Å; L553-F608 HydrophobicContact CB-CD1 4.31Å; L553-F608 HydrophobicContact CB-CG 4.22Å; L553-F608 HydrophobicContact CD1-CB 4.3Å; L553-F608 HydrophobicContact CD1-CD2 3.99Å; L553-F608 HydrophobicContact CD1-CG 4.16Å; Y556-F608 AromaticContact CD1-CE2 3.87Å; Y556-F608 HydrophobicContact CD1-CE2 3.87Å; Y556-F608 HydrophobicContact CD1-CZ 4.29Å; Y556-F608 HydrophobicContact CD2-CZ 4.45Å; Y556-F608 HydrophobicContact CE1-CE2 4.4Å; Y556-F608 AromaticContact CG-CE2 3.97Å; Y556-F608 HydrophobicContact CG-CE2 3.97Å; Y556-F608 AromaticContact CG-CZ 3.91Å; Y556-F608 HydrophobicContact CG-CZ 3.91Å; L605-F608 PolarHBondContact O-N 3.4Å; A606-F608 PolarHBondContact O-N 3.45Å; A606-F608 VanDerWaalsContact O-N 3.15Å
609	Y	87.4	Confident	72.9	Confident	18 Å²	18	91.1 Å²	91.1	7%	0.071	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-123.3	132.4	-177.1	-68.9	-87.6	0	0	0	112	I541 P542 D543 Y546 C547 L553 L605 A606 Y611	I541-Y609 VanDerWaalsContact CG2-OH 3.26Å; I541-Y609 WeakPolarHBondContact CG2-OH 3.48Å; P542-Y609 WeakPolarHBondContact O-CE1 3.25Å; P542-Y609 PolarHBondContact O-OH 3.4Å; D543-Y609 HydrophobicContact CB-CD1 4.39Å; D543-Y609 HydrophobicContact CB-CE1 4.18Å; Y546-Y609 CarbonylContact O-C 3.42Å; Y546-Y609 VanDerWaalsContact O-CA 3.28Å; Y546-Y609 WeakPolarHBondContact O-CA 3.46Å; C547-Y609 HydrophobicContact CB-CD1 4.05Å; C547-Y609 HydrophobicContact CB-CE1 3.81Å; L553-Y609 HydrophobicContact CD2-CE2 4.35Å; L553-Y609 WeakPolarHBondContact CD2-OH 3.38Å; L605-Y609 HydrophobicContact CB-CD2 4.36Å; L605-Y609 HydrophobicContact CB-CE2 4.26Å; L605-Y609 WeakPolarHBondContact O-CD2 3.4Å; A606-Y609 PolarHBondContact O-N 2.92Å; A606-Y609 VanDerWaalsContact O-O 3.05Å; Y609-Y611 HydrophobicContact CG-CE2 4.21Å
610	D	83.6	Confident	71.4	Confident	57 Å²	57	93.3 Å²	93.3	31%	0.305	47%	0.465	S	S	.	.			trans	-109	95.7	171.8	-168.3	-1.4	0	0	0	110.1	Y546 I548 R612	Y546-D610 PolarHBondContact O-N 2.86Å; I548-D610 HydrophobicContact CD1-CB 3.81Å; I548-D610 HydrophobicContact CG1-CB 3.59Å; D610-R612 VanDerWaalsContact C-N 3.26Å; D610-R612 PolarHBondContact O-N 3.33Å; D610-R612 WeakPolarHBondContact OD1-CB 3.47Å; D610-R612 WeakPolarHBondContact OD1-CD 3.47Å; D610-R612 WeakPolarHBondContact OD1-CG 3.24Å; D610-R612 PolarHBondContact OD1-N 2.94Å; D610-R612 VanDerWaalsContact OD1-N 3.08Å; D610-R612 IonicContact OD1-NE 3.95Å
611	Y	79.7	Confident	70	Confident	91 Å²	91	91.6 Å²	91.6	36%	0.357	46%	0.46	S	S	.	.			trans	-82	1.6	177.6	-66.1	-72	0	0	0	113.6	D543 Y546 Y609 K613 K614	D543-Y611 HydrophobicContact CB-CE1 4.08Å; D543-Y611 WeakPolarHBondContact OD2-CE1 3.42Å; D543-Y611 PolarHBondContact OD2-OH 3.29Å; D543-Y611 VanDerWaalsContact OD2-OH 3.13Å; Y546-Y611 HydrophobicContact CD1-CD1 4.37Å; Y546-Y611 HydrophobicContact CD2-CD1 4.3Å; Y546-Y611 HydrophobicContact CD2-CE1 4.26Å; Y546-Y611 AromaticContact CG-CD1 3.98Å; Y546-Y611 HydrophobicContact CG-CD1 3.98Å; Y546-Y611 HydrophobicContact CG-CE1 4.24Å; Y609-Y611 HydrophobicContact CG-CE2 4.21Å; Y611-K613 VanDerWaalsContact C-N 3.31Å; Y611-K613 PolarHBondContact O-N 3.42Å; Y611-K614 WeakPolarHBondContact O-CB 3.42Å; Y611-K614 PolarHBondContact O-N 3.18Å; Y611-K614 VanDerWaalsContact O-N 3.14Å
612	R	76.4	Confident	68.5	Low	185 Å²	185	97.1 Å²	97.1	70%	0.698	49%	0.487	S	S	*	.	H	α-helix	trans	-61.5	-39.2	-178.9	-65.9	172.9	-169.8	-178.1	4.7	112.2	D610 K614 Q615	D610-R612 VanDerWaalsContact C-N 3.26Å; D610-R612 PolarHBondContact O-N 3.33Å; D610-R612 WeakPolarHBondContact OD1-CB 3.47Å; D610-R612 WeakPolarHBondContact OD1-CD 3.47Å; D610-R612 WeakPolarHBondContact OD1-CG 3.24Å; D610-R612 PolarHBondContact OD1-N 2.94Å; D610-R612 VanDerWaalsContact OD1-N 3.08Å; D610-R612 IonicContact OD1-NE 3.95Å; R612-K614 PolarHBondContact O-N 2.9Å; R612-K614 VanDerWaalsContact O-N 3.14Å; R612-Q615 WeakPolarHBondContact O-CB 3.15Å; R612-Q615 PolarHBondContact O-N 2.85Å
613	K	63.9	Low	66.4	Low	122 Å²	122	100.8 Å²	100.8	53%	0.53	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-26	176.9	-74.1	-171.6	176.3	-176.3	0	114.3	Y546 Y611 Q615 E616 E617	Y546-K613 HydrophobicContact CE1-CB 4.49Å; Y611-K613 VanDerWaalsContact C-N 3.31Å; Y611-K613 PolarHBondContact O-N 3.42Å; K613-Q615 VanDerWaalsContact C-N 3.25Å; K613-Q615 PolarHBondContact O-N 3.5Å; K613-E616 PolarHBondContact O-N 2.87Å; K613-E617 PolarHBondContact O-N 2.97Å
614	K	62.4	Low	64.1	Low	103 Å²	103	104.8 Å²	104.8	45%	0.448	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-34.1	177.4	-168.4	173	178.2	179.7	0	111.4	Y546 Y611 R612 E616 D618	Y546-K614 HydrophobicContact CE1-CB 3.62Å; Y546-K614 HydrophobicContact CE1-CG 4.34Å; Y546-K614 WeakPolarHBondContact OH-CG 3.05Å; Y611-K614 WeakPolarHBondContact O-CB 3.42Å; Y611-K614 PolarHBondContact O-N 3.18Å; Y611-K614 VanDerWaalsContact O-N 3.14Å; R612-K614 PolarHBondContact O-N 2.9Å; R612-K614 VanDerWaalsContact O-N 3.14Å; K614-E616 VanDerWaalsContact C-N 3.33Å; K614-D618 WeakPolarHBondContact O-CB 3.38Å; K614-D618 PolarHBondContact O-N 2.82Å
615	Q	56.3	Low	61.8	Low	143 Å²	143	105.4 Å²	105.4	67%	0.668	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-35.6	176.6	-64.6	-176.4	-30.5	0	0	110.9	R612 K613 E619	R612-Q615 WeakPolarHBondContact O-CB 3.15Å; R612-Q615 PolarHBondContact O-N 2.85Å; K613-Q615 VanDerWaalsContact C-N 3.25Å; K613-Q615 PolarHBondContact O-N 3.5Å; Q615-E619 WeakPolarHBondContact O-CG 3.49Å
616	E	55.5	Low	59.4	Low	112 Å²	112	111.2 Å²	111.2	52%	0.523	56%	0.558	S	S	.	*	H	α-helix	trans	-73.1	-42.8	176.6	-63.2	171.5	178.9	0	0	112	K613 K614 D618 E619 D620	K613-E616 PolarHBondContact O-N 2.87Å; K614-E616 VanDerWaalsContact C-N 3.33Å; E616-D618 VanDerWaalsContact C-N 3.31Å; E616-D618 PolarHBondContact O-N 2.86Å; E616-E619 PolarHBondContact O-N 3.13Å; E616-D620 PolarHBondContact O-N 3.42Å
617	E	51.5	Low	57.3	Low	112 Å²	112	114.9 Å²	114.9	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-30.2	179.1	-73.9	-178.7	-177	0	0	113.3	K613 E619 T621	K613-E617 PolarHBondContact O-N 2.97Å; E617-E619 PolarHBondContact O-N 3.22Å; E617-T621 PolarHBondContact O-OG1 3.01Å
618	D	51.5	Low	54.8	Low	115 Å²	115	115.7 Å²	115.7	62%	0.615	58%	0.58	S	S	*	*	H	α-helix	trans	-72.1	-20.4	173.7	-74	-26.9	0	0	0	111.8	K614 E616	K614-D618 WeakPolarHBondContact O-CB 3.38Å; K614-D618 PolarHBondContact O-N 2.82Å; E616-D618 VanDerWaalsContact C-N 3.31Å; E616-D618 PolarHBondContact O-N 2.86Å
619	E	47.6	Very low	52.5	Low	145 Å²	145	119.1 Å²	119.1	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-90.7	-36.5	175.4	-71.5	179.3	179	0	0	112.5	Q615 E616 E617 T621 D622	Q615-E619 WeakPolarHBondContact O-CG 3.49Å; E616-E619 PolarHBondContact O-N 3.13Å; E617-E619 PolarHBondContact O-N 3.22Å; E619-T621 PolarHBondContact O-N 3.01Å; E619-D622 PolarHBondContact O-N 3.36Å; E619-D622 VanDerWaalsContact O-N 3.15Å
620	D	48	Very low	50	Low	102 Å²	102	126.4 Å²	126.4	55%	0.545	65%	0.649	S	S	.	*	G	3₁₀ helix	trans	-75.4	-5.3	-174.9	-72.4	-25.5	0	0	0	114.6	E616 D622	E616-D620 PolarHBondContact O-N 3.42Å; D620-D622 PolarHBondContact O-N 2.89Å
621	T	45.4	Very low	47.9	Very low	117 Å²	117	129 Å²	129	72%	0.718	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-75.6	-11	170.2	-40.1	0	0	0	0	112.2	E617 E619	E617-T621 PolarHBondContact O-OG1 3.01Å; E619-T621 PolarHBondContact O-N 3.01Å
622	D	41.3	Very low	45.8	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-108.5	45	175.3	-70	-30.7	0	0	0	111.3	E619 D620 Q624	E619-D622 PolarHBondContact O-N 3.36Å; E619-D622 VanDerWaalsContact O-N 3.15Å; D620-D622 PolarHBondContact O-N 2.89Å; D622-Q624 VanDerWaalsContact C-N 3.33Å; D622-Q624 PolarHBondContact O-N 3.36Å
623	E	35.7	Very low	43.9	Very low	161 Å²	161	130.4 Å²	130.4	75%	0.752	70%	0.7	S	S	*	*			trans	-63.3	90.7	164.3	-79.9	-175.2	175.9	0	0	110.4
624	Q	33.2	Very low	42.6	Very low	160 Å²	160	129.2 Å²	129.2	75%	0.748	71%	0.706	S	S	*	*				173.2	76.7	121.5	-155.5	88.5	41.4	0	0	108.7	D622	D622-Q624 VanDerWaalsContact C-N 3.33Å; D622-Q624 PolarHBondContact O-N 3.36Å
625	A	33.7	Very low	41.3	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	72%	0.723	S	S	*	*			trans	-124.5	86.6	162.3	0	0	0	0	0	108.6	T627	A625-T627 PolarHBondContact O-N 3.34Å
626	D	35.7	Very low	40.4	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	73%	0.734	S	S	*	*			trans	-60.5	115.3	157.1	-63.8	-44.3	0	0	0	107.4
627	T	39.8	Very low	39.4	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	75%	0.75	S	S	*	*			trans	173.1	103.8	131.3	-65.3	0	0	0	0	109.2	A625	A625-T627 PolarHBondContact O-N 3.34Å
628	D	34.6	Very low	38.8	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	77%	0.766	S	S	*	*			trans	-3	120.9	148.1	-48	-28.5	0	0	0	117.3
629	S	38.2	Very low	38.2	Very low	110 Å²	110	138 Å²	138	77%	0.769	77%	0.773	S	S	*	*				-175.9	119.5	123.7	60.6	0	0	0	0	111.4
630	D	35.5	Very low	38.1	Very low	171 Å²	171	137 Å²	137	91%	0.914	78%	0.776	S	S	*	*			trans	-54.6	128.8	167.3	-56.3	-59.8	0	0	0	112.2
631	S	40.1	Very low	38.2	Very low	113 Å²	113	136.7 Å²	136.7	79%	0.79	78%	0.778	S	S	*	*			trans	-160.5	112.5	148.3	59.3	0	0	0	0	110.5
632	D	35.9	Very low	38.5	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	78%	0.776	S	S	*	*			trans	-48.3	164.5	162.8	-81.4	-42.6	0	0	0	113.2
633	D	36.4	Very low	39.3	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	78%	0.78	S	S	*	*			trans	89.8	106.6	156.1	-82.7	-31.2	0	0	0	119.3
634	S	35.8	Very low	40.5	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	78%	0.784	S	S	*	*				82.1	132.1	129	65	0	0	0	0	119.8
635	D	35.5	Very low	42.1	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	77%	0.767	S	S	*	*			trans	73.4	69.1	155.9	-52.1	-20.9	0	0	0	117.9	D637	D635-D637 PolarHBondContact O-N 2.85Å
636	L	36.6	Very low	43.8	Very low	175 Å²	175	132.7 Å²	132.7	92%	0.916	75%	0.751	S	S	*	*			trans	-80.9	95.1	155.5	-72	176.1	0	0	0	109.5	F638	L636-F638 PolarHBondContact O-N 3.33Å; L636-F638 VanDerWaalsContact O-N 3.08Å
637	D	36.2	Very low	45.5	Very low	160 Å²	160	130.7 Å²	130.7	86%	0.856	74%	0.737	S	S	*	*			trans	-48.2	112.5	165.5	-97.7	-25	0	0	0	109.6	D635 A639	D635-D637 PolarHBondContact O-N 2.85Å; D637-A639 PolarHBondContact O-N 2.97Å
638	F	37.1	Very low	46.8	Very low	196 Å²	196	128.4 Å²	128.4	86%	0.86	72%	0.72	S	S	*	*			trans	-53.5	117.6	164.7	-89.2	-96.8	0	0	0	107.2	L636 V640	L636-F638 PolarHBondContact O-N 3.33Å; L636-F638 VanDerWaalsContact O-N 3.08Å; F638-V640 VanDerWaalsContact C-N 3.32Å; F638-V640 PolarHBondContact O-N 3.44Å
639	A	40.3	Very low	48.4	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	71%	0.709	S	S	*	*			trans	-54.1	102.3	171.8	0	0	0	0	0	107.8	D637 V641	D637-A639 PolarHBondContact O-N 2.97Å; A639-V641 PolarHBondContact O-N 2.86Å
640	V	44.5	Very low	49.3	Very low	122 Å²	122	127 Å²	127	74%	0.739	69%	0.692	S	S	*	*			trans	-57.1	106.7	170.2	176.4	0	0	0	0	104.7	F638 D642	F638-V640 VanDerWaalsContact C-N 3.32Å; F638-V640 PolarHBondContact O-N 3.44Å; V640-D642 VanDerWaalsContact C-N 3.3Å; V640-D642 PolarHBondContact O-N 3.05Å
641	V	51.2	Low	50.2	Low	97 Å²	97	123.3 Å²	123.3	59%	0.588	68%	0.678	S	S	*	*			trans	-63.8	103	167.6	178.5	0	0	0	0	104.2	A639 D643 L648	A639-V641 PolarHBondContact O-N 2.86Å; V641-D643 VanDerWaalsContact C-N 3.32Å; V641-D643 PolarHBondContact O-N 3.21Å; V641-L648 HydrophobicContact CG1-CD1 3.52Å
642	D	52.4	Low	50.7	Low	126 Å²	126	120.4 Å²	120.4	67%	0.674	66%	0.658	S	S	*	*			trans	-56.1	100.2	171.2	-88.8	-20.3	0	0	0	107.6	V640 D644 G645	V640-D642 VanDerWaalsContact C-N 3.3Å; V640-D642 PolarHBondContact O-N 3.05Å; D642-D644 PolarHBondContact O-N 3.38Å; D642-G645 PolarHBondContact O-N 3.14Å
643	D	56.8	Low	51.3	Low	152 Å²	152	116 Å²	116	81%	0.813	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-13.2	179.8	-160.8	22.6	0	0	0	111.3	V641 G645	V641-D643 VanDerWaalsContact C-N 3.32Å; V641-D643 PolarHBondContact O-N 3.21Å; D643-G645 PolarHBondContact O-N 3.48Å
644	D	61.1	Low	51.8	Low	158 Å²	158	113.8 Å²	113.8	85%	0.845	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-4.6	-174.6	-62.4	-27.1	0	0	0	113.5	D642	D642-D644 PolarHBondContact O-N 3.38Å
645	G	67.2	Low	52.3	Low	37 Å²	37	116.7 Å²	116.7	38%	0.381	63%	0.633	S	S	.	*			trans	-94.5	138.7	-177.6	0	0	0	0	0	114.5	D642 D643 Q647	D642-G645 PolarHBondContact O-N 3.14Å; D643-G645 PolarHBondContact O-N 3.48Å; G645-Q647 PolarHBondContact O-N 3.44Å
646	Y	70	Confident	52.6	Low	113 Å²	113	119.2 Å²	119.2	44%	0.443	63%	0.632	S	S	.	*	S	Bend	trans	-77	3.6	168.6	-59.9	-66.9	0	0	0	114.3	H674 L677 Y681	Y646-H674 HydrophobicContact CD1-CB 4.26Å; Y646-H674 VanDerWaalsContact O-CB 3.3Å; Y646-H674 WeakPolarHBondContact O-CB 3.21Å; Y646-H674 PolarHBondContact O-N 2.96Å; Y646-L677 HydrophobicContact CD1-CD1 4.41Å; Y646-L677 HydrophobicContact CD1-CG 4.24Å; Y646-L677 HydrophobicContact CD2-CD1 4.27Å; Y646-L677 HydrophobicContact CG-CD1 3.8Å; Y646-L677 HydrophobicContact CG-CG 4.13Å; Y646-Y681 PolarHBondContact O-OH 3.38Å
647	Q	70.4	Confident	52.8	Low	93 Å²	93	116.1 Å²	116.1	44%	0.435	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.7	131.8	-176.2	-67.6	-179.5	-4.7	0	0	108.6	G645 Y649 V671 A672	G645-Q647 PolarHBondContact O-N 3.44Å; Q647-Y649 HydrophobicContact CB-CE2 4.3Å; Q647-Y649 PolarHBondContact OE1-OH 3.5Å; Q647-V671 HydrophobicContact CB-CG1 3.91Å; Q647-V671 HydrophobicContact CG-CG1 4.13Å; Q647-A672 WeakPolarHBondContact CA-O 3.34Å
648	L	67.2	Low	53	Low	78 Å²	78	114.5 Å²	114.5	41%	0.408	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	119.5	176.7	-163.5	133.9	0	0	0	108	V641 L650 A672	V641-L648 HydrophobicContact CG1-CD1 3.52Å; L648-L650 HydrophobicContact CD2-CD2 4.21Å; L648-L650 HydrophobicContact CD2-CG 4.14Å; L648-L650 PolarHBondContact O-N 3.37Å; L648-A672 HydrophobicContact CB-CB 4.4Å; L648-A672 PolarHBondContact N-O 2.95Å; L648-A672 PolarHBondContact O-N 3.34Å
649	Y	68.3	Low	53.1	Low	153 Å²	153	113 Å²	113	60%	0.6	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.5	106.4	178	-70.7	-94.4	0	0	0	108.1	Q647 V671	Q647-Y649 HydrophobicContact CB-CE2 4.3Å; Q647-Y649 PolarHBondContact OE1-OH 3.5Å; Y649-V671 HydrophobicContact CD1-CG2 3.68Å; Y649-V671 HydrophobicContact CE1-CG2 3.5Å; Y649-V671 VanDerWaalsContact CE1-CG2 3.5Å
650	L	57.5	Low	53.1	Low	81 Å²	81	113.1 Å²	113.1	42%	0.424	62%	0.617	S	S	.	*			trans	-74	130.2	175.6	-72.1	147.7	0	0	0	109.1	L648 S652 G669 A670 A672	L648-L650 HydrophobicContact CD2-CD2 4.21Å; L648-L650 HydrophobicContact CD2-CG 4.14Å; L648-L650 PolarHBondContact O-N 3.37Å; L650-S652 PolarHBondContact O-N 3.48Å; L650-G669 WeakPolarHBondContact O-CA 3.47Å; L650-A670 HydrophobicContact CB-CB 4.4Å; L650-A670 WeakPolarHBondContact CB-O 3.33Å; L650-A670 HydrophobicContact CD1-CB 4.14Å; L650-A670 PolarHBondContact N-O 2.75Å; L650-A672 HydrophobicContact CD1-CB 4.06Å
651	P	54	Low	53	Low	94 Å²	94	113.6 Å²	113.6	61%	0.61	61%	0.614	S	S	*	*			trans	-72.6	78.8	170.4	27.9	-30.6	0	0	0	109.9	G653	P651-G653 PolarHBondContact O-N 3.14Å
652	S	51.3	Low	52.6	Low	52 Å²	52	118.3 Å²	118.3	36%	0.364	63%	0.63	S	S	.	*			trans	-81	111.9	163.5	34.2	0	0	0	0	108.9	L650 I654 S668 A670	L650-S652 PolarHBondContact O-N 3.48Å; S652-I654 PolarHBondContact O-N 2.73Å; S652-S668 WeakPolarHBondContact CB-O 3.36Å; S652-S668 PolarHBondContact OG-O 3.1Å; S652-A670 PolarHBondContact OG-N 2.85Å
653	G	48.4	Very low	52	Low	66 Å²	66	117 Å²	117	68%	0.68	62%	0.622	S	S	*	*			trans	-70.6	110.5	-176.4	0	0	0	0	0	112.2	P651	P651-G653 PolarHBondContact O-N 3.14Å
654	I	46.8	Very low	51.2	Low	100 Å²	100	118.5 Å²	118.5	51%	0.513	62%	0.616	S	S	.	*			trans	-143	110.7	146.7	-58	-179.2	0	0	0	105.7	S652 R656	S652-I654 PolarHBondContact O-N 2.73Å; I654-R656 HydrophobicContact CG2-CG 4.26Å
655	W	46.4	Very low	50	Low	158 Å²	158	113.3 Å²	113.3	60%	0.598	59%	0.591	S	S	*	*			trans	-84.2	124.9	166.8	-83.2	17.3	0	0	0	108.2	W664	W655-W664 HydrophobicContact CB-CE3 4.2Å; W655-W664 HydrophobicContact CB-CZ3 3.82Å; W655-W664 AromaticContact CD2-CE3 3.43Å; W655-W664 HydrophobicContact CD2-CE3 3.43Å; W655-W664 VanDerWaalsContact CD2-CE3 3.43Å; W655-W664 HydrophobicContact CD2-CH2 4.48Å; W655-W664 AromaticContact CD2-CZ3 3.41Å; W655-W664 HydrophobicContact CD2-CZ3 3.41Å; W655-W664 VanDerWaalsContact CD2-CZ3 3.41Å; W655-W664 HydrophobicContact CE3-CD2 4.14Å; W655-W664 AromaticContact CE3-CE3 3.1Å; W655-W664 HydrophobicContact CE3-CE3 3.1Å; W655-W664 AromaticContact CE3-CH2 3.49Å; W655-W664 HydrophobicContact CE3-CH2 3.49Å; W655-W664 VanDerWaalsContact CE3-CH2 3.49Å; W655-W664 HydrophobicContact CE3-CZ2 4.43Å; W655-W664 AromaticContact CE3-CZ3 2.77Å; W655-W664 HydrophobicContact CE3-CZ3 2.77Å; W655-W664 HydrophobicContact CG-CE3 4.01Å; W655-W664 AromaticContact CG-CZ3 3.93Å; W655-W664 HydrophobicContact CG-CZ3 3.93Å; W655-W664 HydrophobicContact CH2-CD2 4.33Å; W655-W664 AromaticContact CH2-CE3 3.93Å; W655-W664 HydrophobicContact CH2-CE3 3.93Å; W655-W664 HydrophobicContact CH2-CZ3 4.31Å; W655-W664 HydrophobicContact CZ2-CE3 4.35Å; W655-W664 AromaticContact CZ3-CD2 3.9Å; W655-W664 HydrophobicContact CZ3-CD2 3.9Å; W655-W664 AromaticContact CZ3-CE3 3.3Å; W655-W664 HydrophobicContact CZ3-CE3 3.3Å; W655-W664 AromaticContact CZ3-CH2 3.67Å; W655-W664 HydrophobicContact CZ3-CH2 3.67Å; W655-W664 HydrophobicContact CZ3-CZ2 4.21Å; W655-W664 AromaticContact CZ3-CZ3 3.26Å; W655-W664 HydrophobicContact CZ3-CZ3 3.26Å
656	R	40.3	Very low	48.6	Very low	201 Å²	201	119.5 Å²	119.5	76%	0.758	60%	0.602	S	S	*	*			trans	-127.3	125.3	172.9	-100.1	-172.8	-177.6	-156.1	0.9	110.4	I654 L658	I654-R656 HydrophobicContact CG2-CG 4.26Å; R656-L658 PolarHBondContact O-N 3.5Å; R656-L658 VanDerWaalsContact O-N 3.15Å
657	S	40.6	Very low	47.2	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	61%	0.612	S	S	*	*			trans	-63.7	106.8	163.7	157.9	0	0	0	0	109.4	L659	S657-L659 PolarHBondContact O-N 3.45Å
658	L	41.3	Very low	46	Very low	125 Å²	125	119.4 Å²	119.4	65%	0.654	61%	0.61	S	S	*	*			trans	-76.1	108.9	159.9	-109.1	158.9	0	0	0	107.1	R656 A660	R656-L658 PolarHBondContact O-N 3.5Å; R656-L658 VanDerWaalsContact O-N 3.15Å; L658-A660 PolarHBondContact O-N 3.43Å
659	L	38.2	Very low	45.3	Very low	164 Å²	164	117.4 Å²	117.4	86%	0.859	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.2	125.8	166.8	-96.3	140.5	0	0	0	110.4	S657	S657-L659 PolarHBondContact O-N 3.45Å
660	A	41	Very low	45.1	Very low	96 Å²	96	112.6 Å²	112.6	79%	0.793	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.9	-5.7	164	0	0	0	0	0	119.8	L658	L658-A660 PolarHBondContact O-N 3.43Å
661	L	43	Very low	45.8	Very low	132 Å²	132	112.3 Å²	112.3	69%	0.691	60%	0.602	S	S	*	*	S	Bend	trans	-136.5	1.4	-179.3	-75.3	173.1	0	0	0	118.7	I663	L661-I663 HydrophobicContact CB-CD1 3.86Å; L661-I663 HydrophobicContact CB-CG1 3.97Å; L661-I663 HydrophobicContact CD1-CD1 4.15Å; L661-I663 WeakPolarHBondContact O-CG1 3.25Å; L661-I663 PolarHBondContact O-N 3.46Å
662	E	41.5	Very low	46.9	Very low	195 Å²	195	109.9 Å²	109.9	91%	0.911	59%	0.589	S	S	*	*			trans	52.1	18.1	-175.7	-69.5	-173.9	166.2	0	0	114.4	W664	E662-W664 PolarHBondContact O-N 2.87Å
663	I	40.8	Very low	48.3	Very low	100 Å²	100	109.3 Å²	109.3	51%	0.513	59%	0.592	S	S	.	*			trans	-89.2	106.8	176.4	-55	168.9	0	0	0	107.4	L661 T665	L661-I663 HydrophobicContact CB-CD1 3.86Å; L661-I663 HydrophobicContact CB-CG1 3.97Å; L661-I663 HydrophobicContact CD1-CD1 4.15Å; L661-I663 WeakPolarHBondContact O-CG1 3.25Å; L661-I663 PolarHBondContact O-N 3.46Å; I663-T665 VanDerWaalsContact C-N 3.25Å; I663-T665 HydrophobicContact CG2-CG2 3.59Å; I663-T665 PolarHBondContact O-N 3.15Å
664	W	40.7	Very low	49.9	Very low	183 Å²	183	109.8 Å²	109.8	69%	0.693	58%	0.576	S	S	*	*			trans	-70.2	83.8	167.9	-74.1	83.3	0	0	0	109.5	W655 E662	W655-W664 HydrophobicContact CB-CE3 4.2Å; W655-W664 HydrophobicContact CB-CZ3 3.82Å; W655-W664 AromaticContact CD2-CE3 3.43Å; W655-W664 HydrophobicContact CD2-CE3 3.43Å; W655-W664 VanDerWaalsContact CD2-CE3 3.43Å; W655-W664 HydrophobicContact CD2-CH2 4.48Å; W655-W664 AromaticContact CD2-CZ3 3.41Å; W655-W664 HydrophobicContact CD2-CZ3 3.41Å; W655-W664 VanDerWaalsContact CD2-CZ3 3.41Å; W655-W664 HydrophobicContact CE3-CD2 4.14Å; W655-W664 AromaticContact CE3-CE3 3.1Å; W655-W664 HydrophobicContact CE3-CE3 3.1Å; W655-W664 AromaticContact CE3-CH2 3.49Å; W655-W664 HydrophobicContact CE3-CH2 3.49Å; W655-W664 VanDerWaalsContact CE3-CH2 3.49Å; W655-W664 HydrophobicContact CE3-CZ2 4.43Å; W655-W664 AromaticContact CE3-CZ3 2.77Å; W655-W664 HydrophobicContact CE3-CZ3 2.77Å; W655-W664 HydrophobicContact CG-CE3 4.01Å; W655-W664 AromaticContact CG-CZ3 3.93Å; W655-W664 HydrophobicContact CG-CZ3 3.93Å; W655-W664 HydrophobicContact CH2-CD2 4.33Å; W655-W664 AromaticContact CH2-CE3 3.93Å; W655-W664 HydrophobicContact CH2-CE3 3.93Å; W655-W664 HydrophobicContact CH2-CZ3 4.31Å; W655-W664 HydrophobicContact CZ2-CE3 4.35Å; W655-W664 AromaticContact CZ3-CD2 3.9Å; W655-W664 HydrophobicContact CZ3-CD2 3.9Å; W655-W664 AromaticContact CZ3-CE3 3.3Å; W655-W664 HydrophobicContact CZ3-CE3 3.3Å; W655-W664 AromaticContact CZ3-CH2 3.67Å; W655-W664 HydrophobicContact CZ3-CH2 3.67Å; W655-W664 HydrophobicContact CZ3-CZ2 4.21Å; W655-W664 AromaticContact CZ3-CZ3 3.26Å; W655-W664 HydrophobicContact CZ3-CZ3 3.26Å; E662-W664 PolarHBondContact O-N 2.87Å
665	T	35.2	Very low	51.7	Low	49 Å²	49	115.4 Å²	115.4	30%	0.301	59%	0.591	S	S	.	*			trans	-90.1	115.4	170.5	43.1	0	0	0	0	110.1	I663 F667	I663-T665 VanDerWaalsContact C-N 3.25Å; I663-T665 HydrophobicContact CG2-CG2 3.59Å; I663-T665 PolarHBondContact O-N 3.15Å; T665-F667 VanDerWaalsContact C-N 3.31Å; T665-F667 HydrophobicContact CG2-CD2 4.29Å; T665-F667 HydrophobicContact CG2-CE2 3.74Å; T665-F667 PolarHBondContact O-N 3.26Å; T665-F667 WeakPolarHBondContact OG1-CD2 3.46Å; T665-F667 WeakPolarHBondContact OG1-CE2 3.3Å
666	R	38.4	Very low	53.4	Low	166 Å²	166	111.6 Å²	111.6	63%	0.626	59%	0.589	S	S	*	*			trans	-62.1	85.5	169.6	-168.1	176.8	-168.2	125.1	4.5	109.5
667	F	39.8	Very low	55.5	Low	148 Å²	148	103.8 Å²	103.8	65%	0.649	56%	0.562	S	S	*	*			trans	-107.9	86.3	-178.8	-88.2	-71.6	0	0	0	111.4	T665	T665-F667 VanDerWaalsContact C-N 3.31Å; T665-F667 HydrophobicContact CG2-CD2 4.29Å; T665-F667 HydrophobicContact CG2-CE2 3.74Å; T665-F667 PolarHBondContact O-N 3.26Å; T665-F667 WeakPolarHBondContact OG1-CD2 3.46Å; T665-F667 WeakPolarHBondContact OG1-CE2 3.3Å
668	S	44.5	Very low	57.4	Low	56 Å²	56	104.2 Å²	104.2	39%	0.392	55%	0.55	S	S	.	*			trans	166.9	71.9	138.9	58.1	0	0	0	0	108.3	S652	S652-S668 WeakPolarHBondContact CB-O 3.36Å; S652-S668 PolarHBondContact OG-O 3.1Å
669	G	53.4	Low	59.1	Low	36 Å²	36	108.5 Å²	108.5	37%	0.371	56%	0.557	S	S	.	*			trans	-90	120.7	169.3	0	0	0	0	0	109.9	L650 V671	L650-G669 WeakPolarHBondContact O-CA 3.47Å; G669-V671 PolarHBondContact O-N 3Å
670	A	63.6	Low	61.2	Low	53 Å²	53	107 Å²	107	44%	0.438	54%	0.542	S	S	.	.			trans	-61.1	127.1	169.3	0	0	0	0	0	109	L650 S652	L650-A670 HydrophobicContact CB-CB 4.4Å; L650-A670 WeakPolarHBondContact CB-O 3.33Å; L650-A670 HydrophobicContact CD1-CB 4.14Å; L650-A670 PolarHBondContact N-O 2.75Å; S652-A670 PolarHBondContact OG-N 2.85Å
671	V	73.4	Confident	63.3	Low	74 Å²	74	107.6 Å²	107.6	45%	0.448	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.7	178.1	-175.1	0	0	0	0	108.6	Q647 Y649 G669	Q647-V671 HydrophobicContact CB-CG1 3.91Å; Q647-V671 HydrophobicContact CG-CG1 4.13Å; Y649-V671 HydrophobicContact CD1-CG2 3.68Å; Y649-V671 HydrophobicContact CE1-CG2 3.5Å; Y649-V671 VanDerWaalsContact CE1-CG2 3.5Å; G669-V671 PolarHBondContact O-N 3Å
672	A	75.9	Confident	65.1	Low	43 Å²	43	107.3 Å²	107.3	36%	0.355	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.6	170.7	0	0	0	0	0	109.5	Q647 L648 L650	Q647-A672 WeakPolarHBondContact CA-O 3.34Å; L648-A672 HydrophobicContact CB-CB 4.4Å; L648-A672 PolarHBondContact N-O 2.95Å; L648-A672 PolarHBondContact O-N 3.34Å; L650-A672 HydrophobicContact CD1-CB 4.06Å
673	G	80.6	Confident	67.1	Low	41 Å²	41	103.4 Å²	103.4	42%	0.423	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.9	178.8	0	0	0	0	0	113.4	Y681	G673-Y681 VanDerWaalsContact CA-OH 3.31Å; G673-Y681 WeakPolarHBondContact CA-OH 3.29Å
674	H	83.1	Confident	69	Low	75 Å²	75	106.5 Å²	106.5	35%	0.347	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-69.3	141.4	177	-168.7	-97.8	0	0	0	112.7	Y646 S676 L677	Y646-H674 HydrophobicContact CD1-CB 4.26Å; Y646-H674 VanDerWaalsContact O-CB 3.3Å; Y646-H674 WeakPolarHBondContact O-CB 3.21Å; Y646-H674 PolarHBondContact O-N 2.96Å; H674-S676 PolarHBondContact CE1-OG 2.87Å; H674-S676 VanDerWaalsContact ND1-CB 3.27Å; H674-S676 WeakPolarHBondContact ND1-CB 3.4Å; H674-S676 PolarHBondContact ND1-N 3.22Å; H674-S676 VanDerWaalsContact ND1-N 3.18Å; H674-S676 PolarHBondContact ND1-OG 3.2Å; H674-S676 PolarHBondContact O-N 3.41Å; H674-S676 VanDerWaalsContact O-N 3.07Å; H674-L677 PolarHBondContact O-N 3.17Å
675	R	84.6	Confident	70.6	Confident	219 Å²	219	104.1 Å²	104.1	83%	0.826	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28.5	-179.9	63	178	155.7	-173.1	-8.4	114.2	L677 F678	R675-L677 PolarHBondContact O-N 2.83Å; R675-F678 WeakPolarHBondContact O-CB 3.49Å; R675-F678 PolarHBondContact O-N 3.22Å
676	S	81.2	Confident	72.3	Confident	78 Å²	78	113.2 Å²	113.2	55%	0.545	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-63	-28.3	176.7	-54.1	0	0	0	0	113.1	H674 F678	H674-S676 PolarHBondContact CE1-OG 2.87Å; H674-S676 VanDerWaalsContact ND1-CB 3.27Å; H674-S676 WeakPolarHBondContact ND1-CB 3.4Å; H674-S676 PolarHBondContact ND1-N 3.22Å; H674-S676 VanDerWaalsContact ND1-N 3.18Å; H674-S676 PolarHBondContact ND1-OG 3.2Å; H674-S676 PolarHBondContact O-N 3.41Å; H674-S676 VanDerWaalsContact O-N 3.07Å; S676-F678 VanDerWaalsContact C-N 3.34Å
677	L	83.8	Confident	73.6	Confident	37 Å²	37	110.6 Å²	110.6	19%	0.194	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-91.1	7.1	179.9	-64.2	-173.7	0	0	0	113.2	Y646 H674 R675 R679 Y680 Y681	Y646-L677 HydrophobicContact CD1-CD1 4.41Å; Y646-L677 HydrophobicContact CD1-CG 4.24Å; Y646-L677 HydrophobicContact CD2-CD1 4.27Å; Y646-L677 HydrophobicContact CG-CD1 3.8Å; Y646-L677 HydrophobicContact CG-CG 4.13Å; H674-L677 PolarHBondContact O-N 3.17Å; R675-L677 PolarHBondContact O-N 2.83Å; L677-R679 VanDerWaalsContact C-N 3.28Å; L677-R679 PolarHBondContact O-N 3.45Å; L677-Y680 HydrophobicContact CB-CD2 4.27Å; L677-Y680 HydrophobicContact CD2-CD2 3.56Å; L677-Y680 HydrophobicContact CD2-CE2 3.87Å; L677-Y680 WeakPolarHBondContact O-CA 3.45Å; L677-Y680 WeakPolarHBondContact O-CB 3.39Å; L677-Y680 PolarHBondContact O-N 3.02Å; L677-Y681 HydrophobicContact CB-CD2 4.03Å; L677-Y681 HydrophobicContact CB-CE1 4.12Å; L677-Y681 HydrophobicContact CB-CE2 3.49Å; L677-Y681 VanDerWaalsContact CB-CE2 3.49Å; L677-Y681 HydrophobicContact CD1-CE1 4.37Å; L677-Y681 WeakPolarHBondContact CD1-OH 3.48Å; L677-Y681 WeakPolarHBondContact O-CD2 3.45Å; L677-Y681 PolarHBondContact O-N 3.39Å
678	F	80.8	Confident	74.3	Confident	119 Å²	119	112.4 Å²	112.4	52%	0.522	56%	0.562	S	S	.	*	H	α-helix	trans	-53.8	-39.7	-177.6	-175.4	-104.2	0	0	0	113.7	R675 S676 Y680 Y681 Q682	R675-F678 WeakPolarHBondContact O-CB 3.49Å; R675-F678 PolarHBondContact O-N 3.22Å; S676-F678 VanDerWaalsContact C-N 3.34Å; F678-Y680 VanDerWaalsContact C-N 3.29Å; F678-Y680 PolarHBondContact O-N 2.95Å; F678-Y681 PolarHBondContact O-N 2.77Å; F678-Q682 HydrophobicContact CD1-CG 4.45Å; F678-Q682 VanDerWaalsContact CE1-CD 3.45Å; F678-Q682 HydrophobicContact CE1-CG 4.19Å; F678-Q682 HydrophobicContact CE2-CG 4.47Å; F678-Q682 HydrophobicContact CZ-CG 4.22Å; F678-Q682 WeakPolarHBondContact O-CG 3.45Å; F678-Q682 PolarHBondContact O-N 3.5Å
679	R	78.1	Confident	74.9	Confident	214 Å²	214	115 Å²	115	81%	0.808	58%	0.575	S	S	*	*	H	α-helix	trans	-61.4	-36.1	174.7	-83.4	-177.5	87.1	173.7	4.3	112.7	L677	L677-R679 VanDerWaalsContact C-N 3.28Å; L677-R679 PolarHBondContact O-N 3.45Å
680	Y	82.6	Confident	74.9	Confident	134 Å²	134	119.5 Å²	119.5	53%	0.525	60%	0.596	S	S	.	*	H	α-helix	trans	-78.9	-37.2	179.1	-55.7	-70.7	0	0	0	111.3	L677 F678 Q682 Q683	L677-Y680 HydrophobicContact CB-CD2 4.27Å; L677-Y680 HydrophobicContact CD2-CD2 3.56Å; L677-Y680 HydrophobicContact CD2-CE2 3.87Å; L677-Y680 WeakPolarHBondContact O-CA 3.45Å; L677-Y680 WeakPolarHBondContact O-CB 3.39Å; L677-Y680 PolarHBondContact O-N 3.02Å; F678-Y680 VanDerWaalsContact C-N 3.29Å; F678-Y680 PolarHBondContact O-N 2.95Å; Y680-Q682 VanDerWaalsContact C-N 3.25Å; Y680-Q682 PolarHBondContact O-N 3.48Å; Y680-Q683 VanDerWaalsContact O-CB 3.28Å; Y680-Q683 WeakPolarHBondContact O-CB 3.31Å; Y680-Q683 PolarHBondContact O-N 3.11Å
681	Y	83.9	Confident	74.1	Confident	107 Å²	107	120.6 Å²	120.6	42%	0.42	60%	0.597	S	S	.	*	H	α-helix	trans	-65.1	-28.2	173.5	-59.9	-35.9	0	0	0	112.9	Y646 G673 L677 F678 Q683	Y646-Y681 PolarHBondContact O-OH 3.38Å; G673-Y681 VanDerWaalsContact CA-OH 3.31Å; G673-Y681 WeakPolarHBondContact CA-OH 3.29Å; L677-Y681 HydrophobicContact CB-CD2 4.03Å; L677-Y681 HydrophobicContact CB-CE1 4.12Å; L677-Y681 HydrophobicContact CB-CE2 3.49Å; L677-Y681 VanDerWaalsContact CB-CE2 3.49Å; L677-Y681 HydrophobicContact CD1-CE1 4.37Å; L677-Y681 WeakPolarHBondContact CD1-OH 3.48Å; L677-Y681 WeakPolarHBondContact O-CD2 3.45Å; L677-Y681 PolarHBondContact O-N 3.39Å; F678-Y681 PolarHBondContact O-N 2.77Å; Y681-Q683 VanDerWaalsContact C-N 3.33Å
682	Q	81.9	Confident	73.2	Confident	127 Å²	127	123 Å²	123	59%	0.593	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.2	172.2	-72.7	-164.4	-18.8	0	0	114.6	F678 Y680 N684	F678-Q682 HydrophobicContact CD1-CG 4.45Å; F678-Q682 VanDerWaalsContact CE1-CD 3.45Å; F678-Q682 HydrophobicContact CE1-CG 4.19Å; F678-Q682 HydrophobicContact CE2-CG 4.47Å; F678-Q682 HydrophobicContact CZ-CG 4.22Å; F678-Q682 WeakPolarHBondContact O-CG 3.45Å; F678-Q682 PolarHBondContact O-N 3.5Å; Y680-Q682 VanDerWaalsContact C-N 3.25Å; Y680-Q682 PolarHBondContact O-N 3.48Å; Q682-N684 PolarHBondContact O-N 3.17Å
683	Q	82.6	Confident	72.3	Confident	112 Å²	112	126 Å²	126	52%	0.523	62%	0.624	S	S	.	*			trans	-78.1	110.5	-175.8	-174	178.1	-3.5	0	0	111.3	Y680 Y681 L685	Y680-Q683 VanDerWaalsContact O-CB 3.28Å; Y680-Q683 WeakPolarHBondContact O-CB 3.31Å; Y680-Q683 PolarHBondContact O-N 3.11Å; Y681-Q683 VanDerWaalsContact C-N 3.33Å; Q683-L685 HydrophobicContact CG-CD2 4.27Å; Q683-L685 HydrophobicContact CG-CG 4.4Å; Q683-L685 VanDerWaalsContact NE2-CD2 3.28Å; Q683-L685 PolarHBondContact O-N 2.93Å
684	N	80.6	Confident	71.3	Confident	165 Å²	165	128.7 Å²	128.7	88%	0.882	64%	0.635	S	S	*	*			trans	-82	97	167.5	-74.5	-26.7	0	0	0	110.2	Q682	Q682-N684 PolarHBondContact O-N 3.17Å
685	L	75.6	Confident	70.1	Confident	134 Å²	134	127.5 Å²	127.5	70%	0.702	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-66.2	142.7	171.8	-68.4	169.9	0	0	0	110.4	Q683	Q683-L685 HydrophobicContact CG-CD2 4.27Å; Q683-L685 HydrophobicContact CG-CG 4.4Å; Q683-L685 VanDerWaalsContact NE2-CD2 3.28Å; Q683-L685 PolarHBondContact O-N 2.93Å
686	R	69.3	Low	68.8	Low	239 Å²	239	119.1 Å²	119.1	90%	0.902	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.6	126	173.3	-96.4	-176	176.1	-172.9	-0.7	108.9	Q688	R686-Q688 PolarHBondContact O-N 3.44Å
687	P	66.5	Low	68.1	Low	112 Å²	112	125.4 Å²	125.4	73%	0.727	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.5	176.3	22.3	-31	0	0	0	109.2	V689	P687-V689 PolarHBondContact O-N 3.13Å
688	Q	55.3	Low	67.6	Low	185 Å²	185	128.8 Å²	128.8	86%	0.864	63%	0.633	S	S	*	*			trans	-62.6	113.8	169.8	-82.3	-159.7	-16.4	0	0	107.9	R686 T690	R686-Q688 PolarHBondContact O-N 3.44Å; Q688-T690 PolarHBondContact O-N 3.09Å
689	V	55.4	Low	66.7	Low	110 Å²	110	128.9 Å²	128.9	67%	0.667	63%	0.63	S	S	*	*			trans	-67.1	103	170.6	-175.3	0	0	0	0	106.5	P687 T691	P687-V689 PolarHBondContact O-N 3.13Å; V689-T691 HydrophobicContact CG1-CG2 3.79Å; V689-T691 PolarHBondContact O-N 3.46Å
690	T	53.7	Low	66.5	Low	131 Å²	131	123.4 Å²	123.4	80%	0.804	62%	0.615	S	S	*	*			trans	-65.1	84.6	170.4	52.3	0	0	0	0	108.1	Q688 N692	Q688-T690 PolarHBondContact O-N 3.09Å; T690-N692 PolarHBondContact O-N 2.98Å
691	T	46.5	Very low	66	Low	76 Å²	76	126.2 Å²	126.2	47%	0.466	63%	0.625	S	S	.	*			trans	-77.1	114	173	49.3	0	0	0	0	108.1	V689	V689-T691 HydrophobicContact CG1-CG2 3.79Å; V689-T691 PolarHBondContact O-N 3.46Å
692	N	55.8	Low	65.7	Low	125 Å²	125	128.2 Å²	128.2	67%	0.668	63%	0.632	S	S	*	*			trans	-53.6	129.4	167.5	-92.5	-22.3	0	0	0	108.6	T690 C694 D695	T690-N692 PolarHBondContact O-N 2.98Å; N692-C694 PolarHBondContact O-N 2.98Å; N692-D695 PolarHBondContact O-N 3.44Å
693	P	57.1	Low	65.4	Low	106 Å²	106	126 Å²	126	69%	0.688	62%	0.623	S	S	*	*	H	α-helix	trans	-54.6	-30.9	-175.3	-26.4	32.2	0	0	0	113.7	S696	P693-S696 PolarHBondContact O-N 3.31Å; P693-S696 PolarHBondContact O-OG 3.39Å
694	C	58.3	Low	64.9	Low	97 Å²	97	124.3 Å²	124.3	66%	0.655	62%	0.616	S	S	*	*	H	α-helix	trans	-61.3	-40.7	175.3	179.2	0	0	0	0	112.9	N692 S696	N692-C694 PolarHBondContact O-N 2.98Å; C694-S696 VanDerWaalsContact C-N 3.3Å; C694-S696 PolarHBondContact O-N 2.83Å
695	D	58.5	Low	64.7	Low	51 Å²	51	119.7 Å²	119.7	27%	0.273	59%	0.591	S	S	.	*	H	α-helix	trans	-72.9	-26.3	-176.7	-155.8	32.8	0	0	0	111.5	N692 R697 Q698 R699	N692-D695 PolarHBondContact O-N 3.44Å; D695-R697 PolarHBondContact O-N 3.38Å; D695-Q698 PolarHBondContact O-N 2.9Å; D695-R699 WeakPolarHBondContact O-CG 3.15Å; D695-R699 PolarHBondContact O-N 3.26Å; D695-R699 IonicContact OD2-CZ 3.56Å; D695-R699 IonicContact OD2-NE 3.18Å; D695-R699 PolarHBondContact OD2-NE 2.96Å; D695-R699 IonicContact OD2-NH2 3.35Å; D695-R699 PolarHBondContact OD2-NH2 3.21Å
696	S	57.8	Low	64.6	Low	43 Å²	43	121.8 Å²	121.8	30%	0.301	59%	0.59	S	S	.	*	H	α-helix	trans	-61.3	-42.7	177.8	79.5	0	0	0	0	112.7	P693 C694 Q698 R699 I700	P693-S696 PolarHBondContact O-N 3.31Å; P693-S696 PolarHBondContact O-OG 3.39Å; C694-S696 VanDerWaalsContact C-N 3.3Å; C694-S696 PolarHBondContact O-N 2.83Å; S696-Q698 PolarHBondContact O-N 3.04Å; S696-R699 PolarHBondContact O-N 3.24Å; S696-I700 WeakPolarHBondContact O-CB 3.01Å; S696-I700 WeakPolarHBondContact O-CD1 3.41Å; S696-I700 WeakPolarHBondContact O-CG1 3.25Å; S696-I700 PolarHBondContact O-N 3.16Å
697	R	66.3	Low	64.9	Low	209 Å²	209	115.9 Å²	115.9	79%	0.789	57%	0.569	S	S	*	*	H	α-helix	trans	-65.2	-42.5	-179.5	-94.5	-175.8	-172.7	167.3	4.2	111.8	D695 R701	D695-R697 PolarHBondContact O-N 3.38Å; R697-R701 WeakPolarHBondContact O-CB 3.41Å; R697-R701 PolarHBondContact O-N 3.04Å
698	Q	72.1	Confident	65.2	Low	108 Å²	108	118.7 Å²	118.7	51%	0.505	57%	0.565	S	S	.	*	H	α-helix	trans	-69	-40.3	178.8	-69	-172.1	8.3	0	0	111.8	D695 S696 R701 R702	D695-Q698 PolarHBondContact O-N 2.9Å; S696-Q698 PolarHBondContact O-N 3.04Å; Q698-R701 PolarHBondContact O-N 2.9Å; Q698-R702 WeakPolarHBondContact O-CG 3.19Å; Q698-R702 PolarHBondContact O-N 3.44Å
699	R	63.9	Low	66.2	Low	122 Å²	122	120 Å²	120	46%	0.46	56%	0.562	S	S	.	*	H	α-helix	trans	-62.5	-47.2	173.9	-75.2	-176.1	-164.1	-157.4	3.2	111.9	D695 S696 R701 R702 I703	D695-R699 WeakPolarHBondContact O-CG 3.15Å; D695-R699 PolarHBondContact O-N 3.26Å; D695-R699 IonicContact OD2-CZ 3.56Å; D695-R699 IonicContact OD2-NE 3.18Å; D695-R699 PolarHBondContact OD2-NE 2.96Å; D695-R699 IonicContact OD2-NH2 3.35Å; D695-R699 PolarHBondContact OD2-NH2 3.21Å; S696-R699 PolarHBondContact O-N 3.24Å; R699-R701 VanDerWaalsContact C-N 3.26Å; R699-R701 PolarHBondContact O-N 3.07Å; R699-R702 PolarHBondContact O-N 3.41Å; R699-I703 VanDerWaalsContact O-CG1 3.25Å; R699-I703 WeakPolarHBondContact O-CG1 3.24Å; R699-I703 PolarHBondContact O-N 2.81Å
700	I	72	Confident	67.1	Low	99 Å²	99	121.2 Å²	121.2	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-59	-40.8	177.2	-68.7	164.1	0	0	0	110.4	S696 I703 M704	S696-I700 WeakPolarHBondContact O-CB 3.01Å; S696-I700 WeakPolarHBondContact O-CD1 3.41Å; S696-I700 WeakPolarHBondContact O-CG1 3.25Å; S696-I700 PolarHBondContact O-N 3.16Å; I700-I703 PolarHBondContact O-N 2.77Å; I700-M704 HydrophobicContact CG2-CG 4.31Å; I700-M704 WeakPolarHBondContact O-CB 3.33Å; I700-M704 VanDerWaalsContact O-CG 3.29Å; I700-M704 WeakPolarHBondContact O-CG 3.46Å; I700-M704 PolarHBondContact O-N 3.29Å
701	R	73.7	Confident	67.9	Low	192 Å²	192	117.6 Å²	117.6	73%	0.725	55%	0.552	S	S	*	*	H	α-helix	trans	-64.6	-45.1	177.4	-154.8	172.7	-176.9	158.4	-0.3	111.9	R697 Q698 R699 I703 M704 D705	R697-R701 WeakPolarHBondContact O-CB 3.41Å; R697-R701 PolarHBondContact O-N 3.04Å; Q698-R701 PolarHBondContact O-N 2.9Å; R699-R701 VanDerWaalsContact C-N 3.26Å; R699-R701 PolarHBondContact O-N 3.07Å; R701-I703 VanDerWaalsContact C-N 3.33Å; R701-I703 PolarHBondContact O-N 3.19Å; R701-M704 PolarHBondContact O-N 3.43Å; R701-D705 PolarHBondContact O-N 2.98Å
702	R	76.1	Confident	68.5	Low	149 Å²	149	120.7 Å²	120.7	56%	0.562	56%	0.555	S	S	*	*	H	α-helix	trans	-60.8	-39.9	173.7	-74.2	-175.7	-118.9	168.7	-0.9	112.4	Q698 R699 R706	Q698-R702 WeakPolarHBondContact O-CG 3.19Å; Q698-R702 PolarHBondContact O-N 3.44Å; R699-R702 PolarHBondContact O-N 3.41Å; R702-R706 WeakPolarHBondContact O-CB 3.44Å; R702-R706 PolarHBondContact O-N 3.2Å
703	I	75.6	Confident	68.9	Low	80 Å²	80	121.4 Å²	121.4	41%	0.41	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-46.7	176.5	-68.5	164.6	0	0	0	110.5	R699 I700 R701 D705 R706 Y707	R699-I703 VanDerWaalsContact O-CG1 3.25Å; R699-I703 WeakPolarHBondContact O-CG1 3.24Å; R699-I703 PolarHBondContact O-N 2.81Å; I700-I703 PolarHBondContact O-N 2.77Å; R701-I703 VanDerWaalsContact C-N 3.33Å; R701-I703 PolarHBondContact O-N 3.19Å; I703-D705 VanDerWaalsContact C-N 3.31Å; I703-D705 PolarHBondContact O-N 3.19Å; I703-R706 CarbonylContact O-C 3.56Å; I703-R706 PolarHBondContact O-N 3.38Å; I703-R706 VanDerWaalsContact O-N 3.09Å; I703-Y707 HydrophobicContact CG2-CD1 4.4Å; I703-Y707 HydrophobicContact CG2-CD2 3.87Å; I703-Y707 HydrophobicContact CG2-CE1 4.02Å; I703-Y707 HydrophobicContact CG2-CE2 3.42Å; I703-Y707 VanDerWaalsContact CG2-CE2 3.42Å; I703-Y707 HydrophobicContact CG2-CG 4.33Å; I703-Y707 PolarHBondContact O-N 3.26Å
704	M	72.3	Confident	69	Low	77 Å²	77	119.9 Å²	119.9	38%	0.379	56%	0.555	S	S	.	*	H	α-helix	trans	-60.1	-39.7	177.6	-76.8	-79.2	-90.6	0	0	112.1	I700 R701 Y707 R708 W712	I700-M704 HydrophobicContact CG2-CG 4.31Å; I700-M704 WeakPolarHBondContact O-CB 3.33Å; I700-M704 VanDerWaalsContact O-CG 3.29Å; I700-M704 WeakPolarHBondContact O-CG 3.46Å; I700-M704 PolarHBondContact O-N 3.29Å; R701-M704 PolarHBondContact O-N 3.43Å; M704-Y707 PolarHBondContact O-N 3.26Å; M704-R708 WeakPolarHBondContact O-CG 3.46Å; M704-R708 PolarHBondContact O-N 3.38Å; M704-W712 HydrophobicContact SD-CZ3 4.21Å
705	D	76.3	Confident	69.3	Low	68 Å²	68	117.8 Å²	117.8	36%	0.364	54%	0.542	S	S	.	.	H	α-helix	trans	-67.7	-36.8	174.5	-73.2	-25.4	0	0	0	111.9	R701 I703 R708 R709	R701-D705 PolarHBondContact O-N 2.98Å; I703-D705 VanDerWaalsContact C-N 3.31Å; I703-D705 PolarHBondContact O-N 3.19Å; D705-R708 PolarHBondContact O-N 3.35Å; D705-R708 IonicContact OD1-NH1 3.59Å; D705-R709 WeakPolarHBondContact O-CG 3.47Å; D705-R709 PolarHBondContact O-N 2.79Å; D705-R709 VanDerWaalsContact O-N 3.13Å
706	R	74.7	Confident	69.9	Low	179 Å²	179	119 Å²	119	68%	0.675	55%	0.554	S	S	*	*	H	α-helix	trans	-68.1	-38.6	175.2	-149.4	-178.1	-80.2	-162.4	-4.7	111.6	R702 I703 R709 L710	R702-R706 WeakPolarHBondContact O-CB 3.44Å; R702-R706 PolarHBondContact O-N 3.2Å; I703-R706 CarbonylContact O-C 3.56Å; I703-R706 PolarHBondContact O-N 3.38Å; I703-R706 VanDerWaalsContact O-N 3.09Å; R706-R709 WeakPolarHBondContact O-CB 3.41Å; R706-R709 PolarHBondContact O-N 3.08Å; R706-L710 WeakPolarHBondContact O-CG 3.22Å; R706-L710 PolarHBondContact O-N 3.06Å
707	Y	75.8	Confident	70.5	Confident	115 Å²	115	125.8 Å²	125.8	45%	0.451	58%	0.578	S	S	.	*	H	α-helix	trans	-65	-40.8	173.6	-72.3	-13.8	0	0	0	112.6	I703 M704 R709 L710 G711 W712	I703-Y707 HydrophobicContact CG2-CD1 4.4Å; I703-Y707 HydrophobicContact CG2-CD2 3.87Å; I703-Y707 HydrophobicContact CG2-CE1 4.02Å; I703-Y707 HydrophobicContact CG2-CE2 3.42Å; I703-Y707 VanDerWaalsContact CG2-CE2 3.42Å; I703-Y707 HydrophobicContact CG2-CG 4.33Å; I703-Y707 PolarHBondContact O-N 3.26Å; M704-Y707 PolarHBondContact O-N 3.26Å; Y707-R709 VanDerWaalsContact C-N 3.28Å; Y707-R709 PolarHBondContact O-N 2.88Å; Y707-L710 HydrophobicContact CD1-CD1 4.4Å; Y707-L710 PolarHBondContact O-N 3.46Å; Y707-L710 VanDerWaalsContact O-N 3.14Å; Y707-G711 PolarHBondContact O-N 2.83Å; Y707-W712 HydrophobicContact CD2-CE3 4.37Å; Y707-W712 WeakPolarHBondContact O-CB 3.49Å; Y707-W712 PolarHBondContact O-N 3.31Å
708	R	72.8	Confident	70.9	Confident	170 Å²	170	118.9 Å²	118.9	64%	0.642	57%	0.566	S	S	*	*	H	α-helix	trans	-60.3	-37.7	172.1	-75.1	174.4	-178.7	170.6	-3.9	112.2	M704 D705 L710 G711	M704-R708 WeakPolarHBondContact O-CG 3.46Å; M704-R708 PolarHBondContact O-N 3.38Å; D705-R708 PolarHBondContact O-N 3.35Å; D705-R708 IonicContact OD1-NH1 3.59Å; R708-L710 VanDerWaalsContact C-N 3.34Å; R708-G711 PolarHBondContact O-N 3.33Å
709	R	75.3	Confident	70.9	Confident	213 Å²	213	115.6 Å²	115.6	80%	0.804	56%	0.557	S	S	*	*	H	α-helix	trans	-69.6	-28.8	175.2	-67.9	176.1	-161.7	-175	3	113.3	D705 R706 Y707 G711	D705-R709 WeakPolarHBondContact O-CG 3.47Å; D705-R709 PolarHBondContact O-N 2.79Å; D705-R709 VanDerWaalsContact O-N 3.13Å; R706-R709 WeakPolarHBondContact O-CB 3.41Å; R706-R709 PolarHBondContact O-N 3.08Å; Y707-R709 VanDerWaalsContact C-N 3.28Å; Y707-R709 PolarHBondContact O-N 2.88Å; R709-G711 PolarHBondContact O-N 2.93Å
710	L	74.6	Confident	71.1	Confident	136 Å²	136	113.5 Å²	113.5	71%	0.712	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	6	175.6	-72.9	162.9	0	0	0	113.4	R706 Y707 R708	R706-L710 WeakPolarHBondContact O-CG 3.22Å; R706-L710 PolarHBondContact O-N 3.06Å; Y707-L710 HydrophobicContact CD1-CD1 4.4Å; Y707-L710 PolarHBondContact O-N 3.46Å; Y707-L710 VanDerWaalsContact O-N 3.14Å; R708-L710 VanDerWaalsContact C-N 3.34Å
711	G	70	Confident	71.3	Confident	54 Å²	54	112.7 Å²	112.7	56%	0.557	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.2	14.6	-179.2	0	0	0	0	0	114.6	Y707 R708 R709 N713	Y707-G711 PolarHBondContact O-N 2.83Å; R708-G711 PolarHBondContact O-N 3.33Å; R709-G711 PolarHBondContact O-N 2.93Å; G711-N713 PolarHBondContact O-N 3.07Å; G711-N713 VanDerWaalsContact O-N 3.13Å; G711-N713 PolarHBondContact O-OD1 3.41Å
712	W	59.9	Low	71.4	Confident	141 Å²	141	107.4 Å²	107.4	53%	0.534	55%	0.546	S	S	.	.			trans	-75.6	103.5	175.1	-165.6	76.3	0	0	0	110.5	M704 Y707 A714	M704-W712 HydrophobicContact SD-CZ3 4.21Å; Y707-W712 HydrophobicContact CD2-CE3 4.37Å; Y707-W712 WeakPolarHBondContact O-CB 3.49Å; Y707-W712 PolarHBondContact O-N 3.31Å; W712-A714 HydrophobicContact CZ3-CB 4.44Å
713	N	63.1	Low	71.1	Confident	141 Å²	141	107.6 Å²	107.6	75%	0.754	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-83.8	120.2	174.6	-58.6	-18.8	0	0	0	108.8	G711 S715	G711-N713 PolarHBondContact O-N 3.07Å; G711-N713 VanDerWaalsContact O-N 3.13Å; G711-N713 PolarHBondContact O-OD1 3.41Å; N713-S715 PolarHBondContact O-N 2.95Å
714	A	59.5	Low	71.1	Confident	73 Å²	73	106 Å²	106	60%	0.603	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-55.8	139.5	176.1	0	0	0	0	0	110.5	W712 S716	W712-A714 HydrophobicContact CZ3-CB 4.44Å; A714-S716 PolarHBondContact O-N 2.99Å
715	S	65.3	Low	71.4	Confident	54 Å²	54	109.3 Å²	109.3	38%	0.378	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-51.3	133.5	174.5	-83.3	0	0	0	0	110.4	N713 K717 R723	N713-S715 PolarHBondContact O-N 2.95Å; S715-K717 PolarHBondContact O-N 3.45Å; S715-R723 PolarHBondContact OG-NH1 3.38Å
716	S	71.1	Confident	71.7	Confident	75 Å²	75	109.8 Å²	109.8	52%	0.524	56%	0.561	S	S	.	*			trans	-43.9	138.8	174.5	159.9	0	0	0	0	111.1	A714 A718 A719 V720	A714-S716 PolarHBondContact O-N 2.99Å; S716-A718 PolarHBondContact O-N 3.33Å; S716-A718 VanDerWaalsContact O-N 3.08Å; S716-A718 PolarHBondContact OG-N 3.37Å; S716-A719 WeakPolarHBondContact O-CA 3.45Å; S716-A719 WeakPolarHBondContact O-CB 3.36Å; S716-A719 PolarHBondContact O-N 3.14Å; S716-V720 PolarHBondContact O-N 3.39Å
717	K	69.9	Low	71.7	Confident	187 Å²	187	107.3 Å²	107.3	81%	0.813	56%	0.557	S	S	*	*	H	α-helix	trans	-50.3	-36.2	174.8	-75.4	-177.4	178.8	176.8	0	111.4	S715 V720 V721	S715-K717 PolarHBondContact O-N 3.45Å; K717-V720 PolarHBondContact O-N 2.94Å; K717-V721 VanDerWaalsContact O-CG2 3.31Å; K717-V721 WeakPolarHBondContact O-CG2 3.45Å; K717-V721 PolarHBondContact O-N 3Å
718	A	75.2	Confident	71.9	Confident	64 Å²	64	109.8 Å²	109.8	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-64.2	-45.6	175.5	0	0	0	0	0	112	S716 V720 V721 V722	S716-A718 PolarHBondContact O-N 3.33Å; S716-A718 VanDerWaalsContact O-N 3.08Å; S716-A718 PolarHBondContact OG-N 3.37Å; A718-V720 VanDerWaalsContact C-N 3.34Å; A718-V720 PolarHBondContact O-N 3.43Å; A718-V721 PolarHBondContact O-N 3.46Å; A718-V722 WeakPolarHBondContact O-CG2 3.32Å; A718-V722 PolarHBondContact O-N 2.88Å
719	A	71.9	Confident	72.5	Confident	39 Å²	39	108 Å²	108	32%	0.322	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-36	178.2	0	0	0	0	0	112.7	S716 R723	S716-A719 WeakPolarHBondContact O-CA 3.45Å; S716-A719 WeakPolarHBondContact O-CB 3.36Å; S716-A719 PolarHBondContact O-N 3.14Å; A719-R723 PolarHBondContact O-N 2.98Å
720	V	68.6	Low	72.8	Confident	78 Å²	78	102.2 Å²	102.2	47%	0.473	55%	0.551	S	S	.	*	H	α-helix	trans	-67.6	-42.6	175.6	178.9	0	0	0	0	111.2	S716 K717 A718 R723 A724	S716-V720 PolarHBondContact O-N 3.39Å; K717-V720 PolarHBondContact O-N 2.94Å; A718-V720 VanDerWaalsContact C-N 3.34Å; A718-V720 PolarHBondContact O-N 3.43Å; V720-R723 PolarHBondContact O-N 2.71Å; V720-A724 WeakPolarHBondContact O-CB 3.14Å; V720-A724 PolarHBondContact O-N 3.03Å
721	V	75.1	Confident	73.1	Confident	82 Å²	82	101.6 Å²	101.6	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-64	-40.8	176.5	170.7	0	0	0	0	111.4	K717 A718 A724 K725	K717-V721 VanDerWaalsContact O-CG2 3.31Å; K717-V721 WeakPolarHBondContact O-CG2 3.45Å; K717-V721 PolarHBondContact O-N 3Å; A718-V721 PolarHBondContact O-N 3.46Å; V721-A724 PolarHBondContact O-N 3.39Å; V721-K725 WeakPolarHBondContact O-CG 3.2Å; V721-K725 PolarHBondContact O-N 3.38Å
722	V	76.2	Confident	73.9	Confident	80 Å²	80	108.2 Å²	108.2	49%	0.485	55%	0.554	S	S	.	*	H	α-helix	trans	-62.5	-51.7	174.7	173.4	0	0	0	0	110.4	A718 A724 K725 D726	A718-V722 WeakPolarHBondContact O-CG2 3.32Å; A718-V722 PolarHBondContact O-N 2.88Å; V722-A724 VanDerWaalsContact C-N 3.31Å; V722-A724 PolarHBondContact O-N 3.31Å; V722-K725 WeakPolarHBondContact O-CB 3.3Å; V722-K725 PolarHBondContact O-N 2.83Å; V722-K725 VanDerWaalsContact O-N 3.08Å; V722-D726 WeakPolarHBondContact CG1-OD2 3.42Å; V722-D726 VanDerWaalsContact O-CG 3.28Å; V722-D726 PolarHBondContact O-N 3.46Å
723	R	70	Confident	75.3	Confident	153 Å²	153	104.2 Å²	104.2	58%	0.577	55%	0.547	S	S	*	.	H	α-helix	trans	-56.3	-41.2	176.3	-82.5	-171.1	-169.3	125.5	2.5	113.2	S715 A719 V720 D726 Q727	S715-R723 PolarHBondContact OG-NH1 3.38Å; A719-R723 PolarHBondContact O-N 2.98Å; V720-R723 PolarHBondContact O-N 2.71Å; R723-D726 PolarHBondContact O-N 3Å; R723-Q727 VanDerWaalsContact O-CB 3.3Å; R723-Q727 WeakPolarHBondContact O-CB 3.31Å; R723-Q727 PolarHBondContact O-N 2.85Å
724	A	75.9	Confident	76.4	Confident	48 Å²	48	103.5 Å²	103.5	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-37	178.9	0	0	0	0	0	112.3	V720 V721 V722 K728	V720-A724 WeakPolarHBondContact O-CB 3.14Å; V720-A724 PolarHBondContact O-N 3.03Å; V721-A724 PolarHBondContact O-N 3.39Å; V722-A724 VanDerWaalsContact C-N 3.31Å; V722-A724 PolarHBondContact O-N 3.31Å; A724-K728 PolarHBondContact O-N 2.58Å
725	K	78.4	Confident	77.8	Confident	145 Å²	145	103 Å²	103	63%	0.63	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-44.6	172	-76.7	-179.4	176.9	-179.6	0	111	V721 V722 K728 F729	V721-K725 WeakPolarHBondContact O-CG 3.2Å; V721-K725 PolarHBondContact O-N 3.38Å; V722-K725 WeakPolarHBondContact O-CB 3.3Å; V722-K725 PolarHBondContact O-N 2.83Å; V722-K725 VanDerWaalsContact O-N 3.08Å; K725-K728 PolarHBondContact O-N 3.12Å; K725-F729 WeakPolarHBondContact O-CB 3.47Å; K725-F729 PolarHBondContact O-N 2.99Å
726	D	82.5	Confident	79	Confident	79 Å²	79	106.8 Å²	106.8	42%	0.422	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-43.4	179	-65	-20.5	0	0	0	111.6	V722 R723 K728 F729 I730	V722-D726 WeakPolarHBondContact CG1-OD2 3.42Å; V722-D726 VanDerWaalsContact O-CG 3.28Å; V722-D726 PolarHBondContact O-N 3.46Å; R723-D726 PolarHBondContact O-N 3Å; D726-K728 PolarHBondContact O-N 3.42Å; D726-F729 CarbonylContact O-C 3.55Å; D726-F729 WeakPolarHBondContact O-CB 3.23Å; D726-F729 PolarHBondContact O-N 2.8Å; D726-F729 VanDerWaalsContact O-N 3.11Å; D726-I730 WeakPolarHBondContact O-CB 3.4Å; D726-I730 VanDerWaalsContact O-CG1 3.25Å; D726-I730 WeakPolarHBondContact O-CG1 3.37Å; D726-I730 PolarHBondContact O-N 2.72Å
727	Q	74.1	Confident	79.9	Confident	127 Å²	127	105.6 Å²	105.6	59%	0.593	54%	0.54	S	S	*	.	H	α-helix	trans	-64	-40.9	178.9	-158.8	173.9	10.4	0	0	111.5	R723 I730 M731	R723-Q727 VanDerWaalsContact O-CB 3.3Å; R723-Q727 WeakPolarHBondContact O-CB 3.31Å; R723-Q727 PolarHBondContact O-N 2.85Å; Q727-I730 PolarHBondContact O-N 3.23Å; Q727-M731 WeakPolarHBondContact O-CB 3.31Å; Q727-M731 WeakPolarHBondContact O-CG 3.49Å; Q727-M731 PolarHBondContact O-N 2.78Å
728	K	80.9	Confident	80.8	Confident	166 Å²	166	104 Å²	104	72%	0.722	54%	0.535	S	S	*	.	H	α-helix	trans	-63.1	-40	171.3	-79.9	-175.6	178.5	-179	0	112.2	A724 K725 D726 R732	A724-K728 PolarHBondContact O-N 2.58Å; K725-K728 PolarHBondContact O-N 3.12Å; D726-K728 PolarHBondContact O-N 3.42Å; K728-R732 WeakPolarHBondContact O-CB 3.21Å; K728-R732 PolarHBondContact O-N 3.29Å
729	F	85	Confident	81.5	Confident	132 Å²	132	106.2 Å²	106.2	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-47	176.8	179.3	-98.7	0	0	0	111.6	K725 D726 M731 R732 C733	K725-F729 WeakPolarHBondContact O-CB 3.47Å; K725-F729 PolarHBondContact O-N 2.99Å; D726-F729 CarbonylContact O-C 3.55Å; D726-F729 WeakPolarHBondContact O-CB 3.23Å; D726-F729 PolarHBondContact O-N 2.8Å; D726-F729 VanDerWaalsContact O-N 3.11Å; F729-M731 PolarHBondContact O-N 3.42Å; F729-R732 PolarHBondContact O-N 3.45Å; F729-C733 WeakPolarHBondContact O-CB 3.24Å; F729-C733 PolarHBondContact O-N 3.27Å; F729-C733 PolarHBondContact O-SG 2.81Å; F729-C733 VanDerWaalsContact O-SG 3.41Å
730	I	82.4	Confident	82.4	Confident	92 Å²	92	111.3 Å²	111.3	47%	0.472	55%	0.548	S	S	.	.	H	α-helix	trans	-59.2	-48.7	176.9	-68.7	164.6	0	0	0	110.3	D726 Q727 R732 C733 Q734	D726-I730 WeakPolarHBondContact O-CB 3.4Å; D726-I730 VanDerWaalsContact O-CG1 3.25Å; D726-I730 WeakPolarHBondContact O-CG1 3.37Å; D726-I730 PolarHBondContact O-N 2.72Å; Q727-I730 PolarHBondContact O-N 3.23Å; I730-R732 VanDerWaalsContact C-N 3.32Å; I730-R732 PolarHBondContact O-N 2.69Å; I730-C733 PolarHBondContact O-N 2.86Å; I730-Q734 HydrophobicContact CG2-CG 4.35Å; I730-Q734 WeakPolarHBondContact O-CB 3.19Å; I730-Q734 WeakPolarHBondContact O-CG 3.37Å; I730-Q734 PolarHBondContact O-N 2.98Å
731	M	80.4	Confident	83.3	Confident	124 Å²	124	112.3 Å²	112.3	61%	0.611	55%	0.554	S	S	*	*	H	α-helix	trans	-61	-40.4	177.4	-77.5	-159.6	156.9	0	0	112.3	Q727 F729 Q734 A735	Q727-M731 WeakPolarHBondContact O-CB 3.31Å; Q727-M731 WeakPolarHBondContact O-CG 3.49Å; Q727-M731 PolarHBondContact O-N 2.78Å; F729-M731 PolarHBondContact O-N 3.42Å; M731-Q734 PolarHBondContact O-N 3.44Å; M731-A735 VanDerWaalsContact O-CB 3.29Å; M731-A735 WeakPolarHBondContact O-CB 3.5Å; M731-A735 PolarHBondContact O-N 3.48Å
732	R	87.3	Confident	84	Confident	193 Å²	193	110.2 Å²	110.2	73%	0.728	55%	0.549	S	S	*	.	H	α-helix	trans	-65.2	-40.5	176.3	-169.2	-177.6	-84.9	163.1	-9.7	111.6	K728 F729 I730 K736	K728-R732 WeakPolarHBondContact O-CB 3.21Å; K728-R732 PolarHBondContact O-N 3.29Å; F729-R732 PolarHBondContact O-N 3.45Å; I730-R732 VanDerWaalsContact C-N 3.32Å; I730-R732 PolarHBondContact O-N 2.69Å; R732-K736 WeakPolarHBondContact O-CB 3.31Å; R732-K736 PolarHBondContact O-N 2.88Å
733	C	88.1	Confident	84.7	Confident	57 Å²	57	111.6 Å²	111.6	39%	0.385	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-44.5	175.4	-74.9	0	0	0	0	112.2	F729 I730 K736 A737	F729-C733 WeakPolarHBondContact O-CB 3.24Å; F729-C733 PolarHBondContact O-N 3.27Å; F729-C733 PolarHBondContact O-SG 2.81Å; F729-C733 VanDerWaalsContact O-SG 3.41Å; I730-C733 PolarHBondContact O-N 2.86Å; C733-K736 PolarHBondContact O-N 3.08Å; C733-A737 WeakPolarHBondContact O-CB 3.32Å; C733-A737 PolarHBondContact O-N 3.48Å
734	Q	86.8	Confident	85.6	Confident	126 Å²	126	111.6 Å²	111.6	59%	0.589	56%	0.557	S	S	*	*	H	α-helix	trans	-62.3	-46.4	175.6	-76.4	179.3	-15.6	0	0	111.6	I730 M731 K736 A737 H738	I730-Q734 HydrophobicContact CG2-CG 4.35Å; I730-Q734 WeakPolarHBondContact O-CB 3.19Å; I730-Q734 WeakPolarHBondContact O-CG 3.37Å; I730-Q734 PolarHBondContact O-N 2.98Å; M731-Q734 PolarHBondContact O-N 3.44Å; Q734-K736 VanDerWaalsContact C-N 3.33Å; Q734-K736 PolarHBondContact O-N 3.19Å; Q734-A737 PolarHBondContact O-N 3.31Å; Q734-H738 WeakPolarHBondContact O-CB 3.44Å; Q734-H738 PolarHBondContact O-N 3.47Å
735	A	87.9	Confident	86.2	Confident	63 Å²	63	112 Å²	112	52%	0.521	56%	0.557	S	S	.	*	H	α-helix	trans	-60.6	-42.5	176.5	0	0	0	0	0	111.8	M731 H738 L739	M731-A735 VanDerWaalsContact O-CB 3.29Å; M731-A735 WeakPolarHBondContact O-CB 3.5Å; M731-A735 PolarHBondContact O-N 3.48Å; A735-H738 PolarHBondContact O-N 3Å; A735-L739 WeakPolarHBondContact O-CB 3.38Å; A735-L739 PolarHBondContact O-N 3.05Å
736	K	92.2	Very high	86.6	Confident	132 Å²	132	110.3 Å²	110.3	57%	0.574	56%	0.555	S	S	*	*	H	α-helix	trans	-65.4	-40.9	176	-168.8	174.2	-175.7	175.9	0	111.8	R732 C733 Q734 R740	R732-K736 WeakPolarHBondContact O-CB 3.31Å; R732-K736 PolarHBondContact O-N 2.88Å; C733-K736 PolarHBondContact O-N 3.08Å; Q734-K736 VanDerWaalsContact C-N 3.33Å; Q734-K736 PolarHBondContact O-N 3.19Å; K736-R740 VanDerWaalsContact O-CB 3.32Å; K736-R740 WeakPolarHBondContact O-CB 3.44Å; K736-R740 PolarHBondContact O-N 3.02Å
737	A	89.4	Confident	86.7	Confident	50 Å²	50	110.6 Å²	110.6	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-45.9	176.7	0	0	0	0	0	111.6	C733 Q734 L739 R740 V741	C733-A737 WeakPolarHBondContact O-CB 3.32Å; C733-A737 PolarHBondContact O-N 3.48Å; Q734-A737 PolarHBondContact O-N 3.31Å; A737-L739 PolarHBondContact O-N 3.11Å; A737-R740 WeakPolarHBondContact O-CB 3.41Å; A737-R740 PolarHBondContact O-N 3.38Å; A737-R740 VanDerWaalsContact O-N 3.13Å; A737-V741 WeakPolarHBondContact O-CG2 3.46Å; A737-V741 PolarHBondContact O-N 3.37Å
738	H	87.7	Confident	87.2	Confident	154 Å²	154	110.4 Å²	110.4	71%	0.713	57%	0.571	S	S	*	*	H	α-helix	trans	-60.6	-44	176.9	-168.9	-96.7	0	0	0	111.6	Q734 A735 R740 V741 G742	Q734-H738 WeakPolarHBondContact O-CB 3.44Å; Q734-H738 PolarHBondContact O-N 3.47Å; A735-H738 PolarHBondContact O-N 3Å; H738-R740 PolarHBondContact O-N 3.13Å; H738-V741 PolarHBondContact O-N 3.49Å; H738-G742 PolarHBondContact O-N 2.97Å
739	L	91.1	Very high	87.4	Confident	111 Å²	111	108.1 Å²	108.1	58%	0.581	56%	0.562	S	S	*	*	H	α-helix	trans	-60.6	-44	172.9	-174.9	74	0	0	0	111.6	A735 A737 V741 G742 L743	A735-L739 WeakPolarHBondContact O-CB 3.38Å; A735-L739 PolarHBondContact O-N 3.05Å; A737-L739 PolarHBondContact O-N 3.11Å; L739-V741 PolarHBondContact O-N 3.45Å; L739-G742 PolarHBondContact O-N 3.29Å; L739-L743 HydrophobicContact CG-CD1 4.19Å; L739-L743 WeakPolarHBondContact O-CB 3.43Å; L739-L743 WeakPolarHBondContact O-CG 3.31Å; L739-L743 PolarHBondContact O-N 2.99Å
740	R	91	Very high	87.4	Confident	146 Å²	146	112.1 Å²	112.1	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-38.9	-179.4	-148.7	-174.5	-83.1	170.8	-14.5	111.7	K736 A737 H738 K744	K736-R740 VanDerWaalsContact O-CB 3.32Å; K736-R740 WeakPolarHBondContact O-CB 3.44Å; K736-R740 PolarHBondContact O-N 3.02Å; A737-R740 WeakPolarHBondContact O-CB 3.41Å; A737-R740 PolarHBondContact O-N 3.38Å; A737-R740 VanDerWaalsContact O-N 3.13Å; H738-R740 PolarHBondContact O-N 3.13Å; R740-K744 WeakPolarHBondContact O-CG 3.38Å; R740-K744 PolarHBondContact O-N 3.11Å
741	V	87.4	Confident	87.6	Confident	99 Å²	99	116.3 Å²	116.3	60%	0.6	59%	0.591	S	S	*	*	H	α-helix	trans	-68.5	-44.8	173.9	173.4	0	0	0	0	110.5	A737 H738 L739 L743 K744 S745	A737-V741 WeakPolarHBondContact O-CG2 3.46Å; A737-V741 PolarHBondContact O-N 3.37Å; H738-V741 PolarHBondContact O-N 3.49Å; L739-V741 PolarHBondContact O-N 3.45Å; V741-L743 PolarHBondContact O-N 2.91Å; V741-K744 PolarHBondContact O-N 3.28Å; V741-S745 WeakPolarHBondContact O-CB 3.07Å; V741-S745 PolarHBondContact O-N 2.88Å
742	G	89.6	Confident	88	Confident	37 Å²	37	117 Å²	117	38%	0.381	59%	0.591	S	S	.	*	H	α-helix	trans	-58.9	-44.4	176.5	0	0	0	0	0	113.1	H738 L739 K744 S745 N746	H738-G742 PolarHBondContact O-N 2.97Å; L739-G742 PolarHBondContact O-N 3.29Å; G742-K744 PolarHBondContact O-N 2.89Å; G742-S745 VanDerWaalsContact O-CB 3.29Å; G742-S745 WeakPolarHBondContact O-CB 3.45Å; G742-S745 PolarHBondContact O-N 3.3Å; G742-N746 PolarHBondContact O-N 3.29Å
743	L	89.7	Confident	87.9	Confident	110 Å²	110	118.5 Å²	118.5	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-63.7	-38.3	175.8	-71.8	171	0	0	0	112.6	L739 V741 S745	L739-L743 HydrophobicContact CG-CD1 4.19Å; L739-L743 WeakPolarHBondContact O-CB 3.43Å; L739-L743 WeakPolarHBondContact O-CG 3.31Å; L739-L743 PolarHBondContact O-N 2.99Å; V741-L743 PolarHBondContact O-N 2.91Å; L743-S745 VanDerWaalsContact C-N 3.34Å
744	K	89.2	Confident	88	Confident	153 Å²	153	123 Å²	123	67%	0.665	61%	0.609	S	S	*	*	H	α-helix	trans	-70.7	-30.6	174.3	-73.5	-177.8	177.9	-169.6	0	112.5	R740 V741 G742 N746 A747	R740-K744 WeakPolarHBondContact O-CG 3.38Å; R740-K744 PolarHBondContact O-N 3.11Å; V741-K744 PolarHBondContact O-N 3.28Å; G742-K744 PolarHBondContact O-N 2.89Å; K744-N746 PolarHBondContact O-N 3.37Å; K744-A747 WeakPolarHBondContact O-CB 3.32Å; K744-A747 PolarHBondContact O-N 3.43Å; K744-A747 VanDerWaalsContact O-N 3.1Å
745	S	89.1	Confident	87.9	Confident	56 Å²	56	126.3 Å²	126.3	39%	0.392	63%	0.625	S	S	.	*	H	α-helix	trans	-62.3	-28	177.4	-164.7	0	0	0	0	112.6	V741 G742 L743 A747 L748	V741-S745 WeakPolarHBondContact O-CB 3.07Å; V741-S745 PolarHBondContact O-N 2.88Å; G742-S745 VanDerWaalsContact O-CB 3.29Å; G742-S745 WeakPolarHBondContact O-CB 3.45Å; G742-S745 PolarHBondContact O-N 3.3Å; L743-S745 VanDerWaalsContact C-N 3.34Å; S745-A747 PolarHBondContact O-N 2.76Å; S745-L748 VanDerWaalsContact O-CB 3.26Å; S745-L748 WeakPolarHBondContact O-CB 3.49Å; S745-L748 PolarHBondContact O-N 2.83Å
746	N	86.1	Confident	87.9	Confident	109 Å²	109	127.6 Å²	127.6	58%	0.583	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-58.4	-29.9	174.2	-67.4	-15.2	0	0	0	112.5	G742 K744 L748	G742-N746 PolarHBondContact O-N 3.29Å; K744-N746 PolarHBondContact O-N 3.37Å; N746-L748 VanDerWaalsContact C-N 3.3Å
747	A	86.5	Confident	87.1	Confident	85 Å²	85	127.6 Å²	127.6	70%	0.702	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-79.7	-8.4	175.5	0	0	0	0	0	113.7	K744 S745 Q749	K744-A747 WeakPolarHBondContact O-CB 3.32Å; K744-A747 PolarHBondContact O-N 3.43Å; K744-A747 VanDerWaalsContact O-N 3.1Å; S745-A747 PolarHBondContact O-N 2.76Å; A747-Q749 PolarHBondContact O-N 2.93Å
748	L	83.4	Confident	86.7	Confident	123 Å²	123	138.3 Å²	138.3	64%	0.644	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-77.2	-7.9	176.1	-64.9	173.7	0	0	0	112.9	S745 N746 R750	S745-L748 VanDerWaalsContact O-CB 3.26Å; S745-L748 WeakPolarHBondContact O-CB 3.49Å; S745-L748 PolarHBondContact O-N 2.83Å; N746-L748 VanDerWaalsContact C-N 3.3Å; L748-R750 PolarHBondContact O-N 2.82Å
749	Q	86.2	Confident	86.7	Confident	118 Å²	118	137.6 Å²	137.6	55%	0.551	67%	0.667	S	S	*	*			trans	-73	62.7	172.1	-60.3	-173.3	-25.5	0	0	111.1	A747 H751 F752	A747-Q749 PolarHBondContact O-N 2.93Å; Q749-H751 PolarHBondContact O-N 3.19Å; Q749-H751 VanDerWaalsContact O-N 3.11Å; Q749-F752 HydrophobicContact CB-CB 4.04Å; Q749-F752 WeakPolarHBondContact O-CB 3.43Å; Q749-F752 PolarHBondContact O-N 3.49Å
750	R	84.1	Confident	86.4	Confident	216 Å²	216	138.9 Å²	138.9	82%	0.815	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-26.7	-175.9	-71.7	-175.7	169	-170.2	-3.3	114	L748	L748-R750 PolarHBondContact O-N 2.82Å
751	H	87	Confident	86.2	Confident	181 Å²	181	138.6 Å²	138.6	84%	0.838	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	35.1	179.6	-56.4	-66.6	0	0	0	111.6	Q749 R753	Q749-H751 PolarHBondContact O-N 3.19Å; Q749-H751 VanDerWaalsContact O-N 3.11Å; H751-R753 PolarHBondContact O-N 2.71Å; H751-R753 VanDerWaalsContact O-N 3.13Å
752	F	88.1	Confident	86.1	Confident	137 Å²	137	140.9 Å²	140.9	60%	0.601	68%	0.683	S	S	*	*			trans	-61.2	115.5	176	-178.8	-100.7	0	0	0	110.7	Q749 K754	Q749-F752 HydrophobicContact CB-CB 4.04Å; Q749-F752 WeakPolarHBondContact O-CB 3.43Å; Q749-F752 PolarHBondContact O-N 3.49Å; F752-K754 HydrophobicContact CD1-CG 4.47Å; F752-K754 HydrophobicContact CE1-CG 3.78Å
753	R	86.3	Confident	85.9	Confident	226 Å²	226	147.4 Å²	147.4	85%	0.853	70%	0.702	S	S	*	*			trans	-99.4	117.4	173.7	-177.7	178.9	177.1	-178.8	-0.4	108.7	H751 Q755	H751-R753 PolarHBondContact O-N 2.71Å; H751-R753 VanDerWaalsContact O-N 3.13Å; R753-Q755 PolarHBondContact O-N 2.99Å
754	K	88.7	Confident	85.6	Confident	150 Å²	150	149.9 Å²	149.9	65%	0.652	71%	0.71	S	S	*	*			trans	-61.1	127.8	167.9	-78.4	-177.5	176.8	179.3	0	108.8	F752	F752-K754 HydrophobicContact CD1-CG 4.47Å; F752-K754 HydrophobicContact CE1-CG 3.78Å
755	Q	84.8	Confident	85.4	Confident	196 Å²	196	149.6 Å²	149.6	92%	0.916	71%	0.713	S	S	*	*	S	Bend	trans	-72.1	-30.8	-179.2	-169	173.8	-7.5	0	0	112.4	R753	R753-Q755 PolarHBondContact O-N 2.99Å
756	V	87.7	Confident	85.1	Confident	91 Å²	91	156.8 Å²	156.8	55%	0.552	74%	0.738	S	S	*	*			trans	-109.7	120.7	177.1	-174.7	0	0	0	0	109
757	T	76.6	Confident	85	Confident	131 Å²	131	160.8 Å²	160.8	80%	0.804	75%	0.751	S	S	*	*			trans	-91.1	122.8	163.7	40.3	0	0	0	0	107.9
758	Y	80.9	Confident	84.9	Confident	276 Å²	276	167.7 Å²	167.7	100%	1.082	76%	0.755	S	S	*	*			trans	-80.4	0	173.9	-64.2	-82.9	0	0	0	111.3

Retrieved 758 of 758 residues in 1194 ms (Link to these results)

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