A0A077Z9Q1_TRITR Loading...

ATP binding cassette sub family F

AlphaFold DB , UniProt , Accession A0A077Z9Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 637 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	43.5	Very low	244 Å²	244	114 Å²	114	100%	1.202	62%	0.616	S	S	*	*				0	92.9	0	-70.7	-172.3	178.5	0	0	107.2
2	I	32.8	Very low	44.9	Very low	110 Å²	110	113.3 Å²	113.3	56%	0.564	60%	0.603	S	S	*	*			trans	-102	126.4	165.9	-62	174	0	0	0	104.1
3	P	34	Very low	46.2	Very low	98 Å²	98	119.5 Å²	119.5	64%	0.636	61%	0.613	S	S	*	*			trans	-65.5	140.2	-171.4	24.4	-31.5	0	0	0	111.3
4	S	38	Very low	47.4	Very low	100 Å²	100	114.6 Å²	114.6	70%	0.699	58%	0.583	S	S	*	*	S	Bend	trans	-38.5	135.7	169.4	54.1	0	0	0	0	112.1	M6	S4-M6 PolarHBondContact O-N 3.01Å
5	E	43.5	Very low	48.7	Very low	197 Å²	197	110.9 Å²	110.9	92%	0.921	57%	0.565	S	S	*	*			trans	-29.8	71.4	-179.8	-67.5	179.1	152.7	0	0	115.5
6	M	36	Very low	50	Low	135 Å²	135	107.3 Å²	107.3	67%	0.665	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-76.7	133.9	161.7	-73.9	-163.2	-72.2	0	0	106.5	S4 S8	S4-M6 PolarHBondContact O-N 3.01Å; M6-S8 PolarHBondContact O-N 3.46Å
7	P	45.1	Very low	51	Low	58 Å²	58	105.9 Å²	105.9	38%	0.377	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-54.6	124	172.7	20.7	-29.6	0	0	0	107.8	R11 K12	P7-R11 HydrophobicContact CB-CB 4.3Å; P7-R11 HydrophobicContact CB-CG 4.29Å; P7-K12 HydrophobicContact CB-CG 4.39Å; P7-K12 HydrophobicContact CG-CG 4.4Å; P7-K12 WeakPolarHBondContact O-CE 3.5Å
8	S	51.9	Low	51.7	Low	41 Å²	41	101.8 Å²	101.8	29%	0.287	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-55.6	153.2	-178.6	74.8	0	0	0	0	109.6	M6 A10 R11 K12	M6-S8 PolarHBondContact O-N 3.46Å; S8-A10 PolarHBondContact O-N 2.86Å; S8-A10 VanDerWaalsContact O-N 3.07Å; S8-R11 WeakPolarHBondContact O-CA 3.46Å; S8-R11 WeakPolarHBondContact O-CB 3.29Å; S8-R11 PolarHBondContact O-N 2.87Å; S8-R11 PolarHBondContact OG-N 2.93Å; S8-K12 PolarHBondContact O-N 3.44Å
9	D	54.7	Low	52.5	Low	116 Å²	116	104.2 Å²	104.2	62%	0.62	53%	0.529	S	S	*	.	H	α-helix	trans	-57	-27.1	176.4	-73.2	-25.5	0	0	0	111.7	R13	D9-R13 WeakPolarHBondContact O-CB 3.37Å; D9-R13 VanDerWaalsContact O-CG 3.25Å; D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 2.91Å
10	A	54.4	Low	53.3	Low	49 Å²	49	105.4 Å²	105.4	41%	0.405	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-46.1	171.1	0	0	0	0	0	112.3	S8 R13 R14	S8-A10 PolarHBondContact O-N 2.86Å; S8-A10 VanDerWaalsContact O-N 3.07Å; A10-R13 PolarHBondContact O-N 3.39Å; A10-R14 WeakPolarHBondContact O-CG 3.42Å; A10-R14 PolarHBondContact O-N 3.05Å
11	R	58.3	Low	53.7	Low	106 Å²	106	101.8 Å²	101.8	40%	0.4	52%	0.515	S	S	.	.	H	α-helix	trans	-62	-45.3	176.2	-174.6	172	177.5	177.7	5.7	111.7	P7 S8 R13 R14 D15	P7-R11 HydrophobicContact CB-CB 4.3Å; P7-R11 HydrophobicContact CB-CG 4.29Å; S8-R11 WeakPolarHBondContact O-CA 3.46Å; S8-R11 WeakPolarHBondContact O-CB 3.29Å; S8-R11 PolarHBondContact O-N 2.87Å; S8-R11 PolarHBondContact OG-N 2.93Å; R11-R13 VanDerWaalsContact C-N 3.33Å; R11-R13 PolarHBondContact O-N 2.96Å; R11-R14 PolarHBondContact O-N 3Å; R11-D15 WeakPolarHBondContact O-CB 3.27Å; R11-D15 VanDerWaalsContact O-CG 3.29Å; R11-D15 PolarHBondContact O-N 3.3Å
12	K	60.9	Low	55.3	Low	106 Å²	106	92.7 Å²	92.7	46%	0.461	48%	0.479	S	S	.	.	H	α-helix	trans	-59.3	-42.4	175.8	-69.9	177.6	-173.1	165.4	0	112.4	P7 S8 A16	P7-K12 HydrophobicContact CB-CG 4.39Å; P7-K12 HydrophobicContact CG-CG 4.4Å; P7-K12 WeakPolarHBondContact O-CE 3.5Å; S8-K12 PolarHBondContact O-N 3.44Å; K12-A16 VanDerWaalsContact O-CB 3.3Å; K12-A16 WeakPolarHBondContact O-CB 3.45Å; K12-A16 PolarHBondContact O-N 3.26Å
13	R	62.1	Low	56.6	Low	194 Å²	194	94.8 Å²	94.8	73%	0.732	48%	0.484	S	S	*	.	H	α-helix	trans	-65.4	-41.8	176.3	-76.5	175.5	-178.2	-174.1	2.3	111.9	D9 A10 R11 A16 K17	D9-R13 WeakPolarHBondContact O-CB 3.37Å; D9-R13 VanDerWaalsContact O-CG 3.25Å; D9-R13 WeakPolarHBondContact O-CG 3.44Å; D9-R13 PolarHBondContact O-N 2.91Å; A10-R13 PolarHBondContact O-N 3.39Å; R11-R13 VanDerWaalsContact C-N 3.33Å; R11-R13 PolarHBondContact O-N 2.96Å; R13-A16 PolarHBondContact O-N 2.89Å; R13-K17 PolarHBondContact O-N 3.11Å
14	R	62.2	Low	57.8	Low	51 Å²	51	96.4 Å²	96.4	19%	0.192	48%	0.483	C	S	.	.	H	α-helix	trans	-65.2	-45.4	175.5	-74.3	-175.6	-177.3	167.3	5.7	111.8	A10 R11 A16 K17 K18 Y214	A10-R14 WeakPolarHBondContact O-CG 3.42Å; A10-R14 PolarHBondContact O-N 3.05Å; R11-R14 PolarHBondContact O-N 3Å; R14-A16 VanDerWaalsContact C-N 3.32Å; R14-A16 PolarHBondContact O-N 2.83Å; R14-K17 CarbonylContact O-C 3.6Å; R14-K17 PolarHBondContact O-N 3.21Å; R14-K18 WeakPolarHBondContact O-CB 3.33Å; R14-K18 PolarHBondContact O-N 2.83Å; R14-Y214 HydrophobicContact CG-CD1 3.92Å; R14-Y214 HydrophobicContact CG-CE1 3.61Å
15	D	67.3	Low	58.6	Low	59 Å²	59	101.2 Å²	101.2	32%	0.316	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-37.8	177.4	-70.9	-20.4	0	0	0	112	R11 K19	R11-D15 WeakPolarHBondContact O-CB 3.27Å; R11-D15 VanDerWaalsContact O-CG 3.29Å; R11-D15 PolarHBondContact O-N 3.3Å; D15-K19 WeakPolarHBondContact O-CB 3.4Å; D15-K19 WeakPolarHBondContact O-CG 3.36Å; D15-K19 PolarHBondContact O-N 3.29Å
16	A	68.8	Low	58.7	Low	53 Å²	53	98.8 Å²	98.8	44%	0.438	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-45.1	173.4	0	0	0	0	0	111.5	K12 R13 R14 K19 E20	K12-A16 VanDerWaalsContact O-CB 3.3Å; K12-A16 WeakPolarHBondContact O-CB 3.45Å; K12-A16 PolarHBondContact O-N 3.26Å; R13-A16 PolarHBondContact O-N 2.89Å; R14-A16 VanDerWaalsContact C-N 3.32Å; R14-A16 PolarHBondContact O-N 2.83Å; A16-K19 PolarHBondContact O-N 3.35Å; A16-E20 PolarHBondContact O-N 3.38Å
17	K	66.9	Low	58.7	Low	83 Å²	83	102.1 Å²	102.1	36%	0.361	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-45	174.2	-94.2	-174.7	178.7	-173.2	0	112.6	R13 R14 K19 E20 L21 A199	R13-K17 PolarHBondContact O-N 3.11Å; R14-K17 CarbonylContact O-C 3.6Å; R14-K17 PolarHBondContact O-N 3.21Å; K17-K19 PolarHBondContact O-N 3.48Å; K17-E20 PolarHBondContact O-N 2.98Å; K17-E20 VanDerWaalsContact O-N 3.09Å; K17-L21 WeakPolarHBondContact O-CB 3.21Å; K17-L21 WeakPolarHBondContact O-CG 3.42Å; K17-L21 PolarHBondContact O-N 2.83Å; K17-A199 VanDerWaalsContact NZ-CB 3.32Å
18	K	64.2	Low	58.1	Low	33 Å²	33	105.7 Å²	105.7	14%	0.143	51%	0.507	C	S	.	.	H	α-helix	trans	-53.9	-43.3	173	-79.9	-168.9	170.3	-175.6	0	110.2	R14 A22 M211 Y214 D215 E218	R14-K18 WeakPolarHBondContact O-CB 3.33Å; R14-K18 PolarHBondContact O-N 2.83Å; K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.95Å; K18-M211 HydrophobicContact CB-CE 4.46Å; K18-M211 HydrophobicContact CB-SD 4.4Å; K18-M211 HydrophobicContact CD-CE 4.17Å; K18-M211 HydrophobicContact CG-CE 3.95Å; K18-M211 HydrophobicContact CG-SD 3.85Å; K18-Y214 HydrophobicContact CG-CD2 4.38Å; K18-D215 WeakPolarHBondContact CE-OD1 3.49Å; K18-D215 IonicContact NZ-OD1 2.71Å; K18-D215 PolarHBondContact NZ-OD1 3.44Å; K18-E218 IonicContact NZ-OE2 2.68Å; K18-E218 PolarHBondContact NZ-OE2 2.99Å; K18-E218 VanDerWaalsContact NZ-OE2 3.1Å
19	K	67.4	Low	57.3	Low	146 Å²	146	108.7 Å²	108.7	64%	0.635	53%	0.534	S	S	*	.	H	α-helix	trans	-67.7	-38.1	175.9	-76.6	179.2	-176.3	178.4	0	113.6	D15 A16 K17 K23	D15-K19 WeakPolarHBondContact O-CB 3.4Å; D15-K19 WeakPolarHBondContact O-CG 3.36Å; D15-K19 PolarHBondContact O-N 3.29Å; A16-K19 PolarHBondContact O-N 3.35Å; K17-K19 PolarHBondContact O-N 3.48Å; K19-K23 VanDerWaalsContact O-CG 3.3Å; K19-K23 WeakPolarHBondContact O-CG 3.22Å; K19-K23 PolarHBondContact O-N 2.9Å; K19-K23 VanDerWaalsContact O-N 3.15Å
20	E	67.3	Low	56.2	Low	128 Å²	128	106.6 Å²	106.6	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-46.3	174.9	-87	-167.2	138.7	0	0	112	A16 K17 K23 Q24	A16-E20 PolarHBondContact O-N 3.38Å; K17-E20 PolarHBondContact O-N 2.98Å; K17-E20 VanDerWaalsContact O-N 3.09Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 3.05Å; E20-Q24 PolarHBondContact O-N 2.91Å
21	L	63.5	Low	54.9	Low	30 Å²	30	111 Å²	111	16%	0.157	56%	0.562	C	S	.	*	H	α-helix	trans	-65.3	-40.5	178.4	-65	170.2	0	0	0	111.4	K17 K23 Q24 R25 L210 M211	K17-L21 WeakPolarHBondContact O-CB 3.21Å; K17-L21 WeakPolarHBondContact O-CG 3.42Å; K17-L21 PolarHBondContact O-N 2.83Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.37Å; L21-Q24 WeakPolarHBondContact O-CB 3.49Å; L21-Q24 PolarHBondContact O-N 3.47Å; L21-Q24 VanDerWaalsContact O-N 3.09Å; L21-R25 PolarHBondContact O-N 3.35Å; L21-L210 HydrophobicContact CD1-CD2 4.01Å; L21-M211 HydrophobicContact CD1-SD 4.36Å
22	A	61.5	Low	53.4	Low	54 Å²	54	111 Å²	111	45%	0.446	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-37.2	173.7	0	0	0	0	0	112.5	K18 Q24 R25	K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.95Å; A22-Q24 VanDerWaalsContact C-N 3.29Å; A22-Q24 PolarHBondContact O-N 2.94Å; A22-R25 PolarHBondContact O-N 3.01Å
23	K	60.7	Low	51.9	Low	154 Å²	154	115.8 Å²	115.8	67%	0.67	61%	0.606	S	S	*	*	H	α-helix	trans	-67.6	-26.8	174.7	-77	175.5	-178.6	-178.6	0	113.2	K19 E20 L21	K19-K23 VanDerWaalsContact O-CG 3.3Å; K19-K23 WeakPolarHBondContact O-CG 3.22Å; K19-K23 PolarHBondContact O-N 2.9Å; K19-K23 VanDerWaalsContact O-N 3.15Å; E20-K23 WeakPolarHBondContact O-CB 3.42Å; E20-K23 PolarHBondContact O-N 3.05Å; L21-K23 VanDerWaalsContact C-N 3.3Å; L21-K23 PolarHBondContact O-N 3.37Å
24	Q	59.1	Low	50.1	Low	131 Å²	131	116.2 Å²	116.2	61%	0.612	62%	0.616	S	S	*	*	H	α-helix	trans	-73	-28.9	175.6	-67.3	-177.9	12.2	0	0	112	E20 L21 A22 D26 R27	E20-Q24 PolarHBondContact O-N 2.91Å; L21-Q24 WeakPolarHBondContact O-CB 3.49Å; L21-Q24 PolarHBondContact O-N 3.47Å; L21-Q24 VanDerWaalsContact O-N 3.09Å; A22-Q24 VanDerWaalsContact C-N 3.29Å; A22-Q24 PolarHBondContact O-N 2.94Å; Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 2.85Å; Q24-R27 PolarHBondContact O-N 3.1Å
25	R	54.6	Low	48.5	Very low	201 Å²	201	117.6 Å²	117.6	76%	0.758	65%	0.646	S	S	*	*	H	α-helix	trans	-66.4	-26	173.5	-89.7	177.5	70.8	172.8	2.9	114.4	L21 A22 R27	L21-R25 PolarHBondContact O-N 3.35Å; A22-R25 PolarHBondContact O-N 3.01Å; R25-R27 PolarHBondContact O-N 3.37Å; R25-R27 VanDerWaalsContact O-N 3.11Å
26	D	46.2	Very low	46.7	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	6.9	178.3	-81.9	-21.7	0	0	0	113.6	Q24	Q24-D26 VanDerWaalsContact C-N 3.32Å; Q24-D26 PolarHBondContact O-N 2.85Å
27	R	35.8	Very low	44.6	Very low	204 Å²	204	132.1 Å²	132.1	77%	0.77	70%	0.698	S	S	*	*	S	Bend	trans	-94.3	131.5	169.3	-69.9	-175.3	176	-173.2	0	110.7	Q24 R25 A29	Q24-R27 PolarHBondContact O-N 3.1Å; R25-R27 PolarHBondContact O-N 3.37Å; R25-R27 VanDerWaalsContact O-N 3.11Å; R27-A29 PolarHBondContact O-N 3.04Å
28	P	32	Very low	42.9	Very low	133 Å²	133	133 Å²	133	86%	0.864	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-64.9	126.1	-171.2	25.7	-33.3	0	0	0	111.5	G30	P28-G30 PolarHBondContact O-N 3.36Å
29	A	36.3	Very low	41.2	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.5	120.8	177.7	0	0	0	0	0	111.2	R27	R27-A29 PolarHBondContact O-N 3.04Å
30	G	30.6	Very low	39.3	Very low	72 Å²	72	135.1 Å²	135.1	74%	0.742	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-75.4	118.8	169.7	0	0	0	0	0	111.1	P28	P28-G30 PolarHBondContact O-N 3.36Å
31	T	27.1	Very low	37.5	Very low	141 Å²	141	133.7 Å²	133.7	87%	0.865	77%	0.774	S	S	*	*			trans	6.6	107.2	161.7	52.5	0	0	0	0	117.9
32	A	27.3	Very low	35.6	Very low	106 Å²	106	139.2 Å²	139.2	88%	0.876	80%	0.804	S	S	*	*			trans	-64.8	138.6	167.7	0	0	0	0	0	112.1
33	K	28.9	Very low	33.8	Very low	207 Å²	207	142.8 Å²	142.8	90%	0.9	82%	0.82	S	S	*	*			trans	-107.4	120.3	165.2	-93.6	-177.6	174.6	178.1	0	109
34	E	24.7	Very low	32.3	Very low	204 Å²	204	140.4 Å²	140.4	95%	0.953	83%	0.829	S	S	*	*			trans	-63.6	127.9	173.6	-70.4	174.5	138.6	0	0	111.1
35	G	29	Very low	30.5	Very low	79 Å²	79	139.3 Å²	139.3	81%	0.814	84%	0.836	S	S	*	*			trans	-128	99.9	175.2	0	0	0	0	0	110.9
36	N	28.3	Very low	29.2	Very low	165 Å²	165	138.8 Å²	138.8	88%	0.882	84%	0.842	S	S	*	*			trans	-0.4	123.6	168.6	-83.7	-21.7	0	0	0	120.8
37	R	24.6	Very low	28.2	Very low	253 Å²	253	139.3 Å²	139.3	96%	0.955	85%	0.845	S	S	*	*			trans	-64	131.6	156.6	-74.8	172.2	166.6	172.7	-3.9	111.1
38	A	32.3	Very low	27.9	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	85%	0.845	S	S	*	*			trans	-126.9	115.1	166.4	0	0	0	0	0	111.2
39	G	28.4	Very low	27.5	Very low	81 Å²	81	136 Å²	136	84%	0.835	85%	0.845	S	S	*	*			trans	51.6	93.9	142.8	0	0	0	0	0	119.9
40	V	26.5	Very low	27.1	Very low	142 Å²	142	135.3 Å²	135.3	86%	0.861	83%	0.834	S	S	*	*			trans	-82.8	115	156.4	178.1	0	0	0	0	107.9
41	A	29.5	Very low	27.2	Very low	99 Å²	99	136.8 Å²	136.8	82%	0.818	83%	0.833	S	S	*	*			trans	-86.8	128	173.3	0	0	0	0	0	110.4
42	N	24.9	Very low	27.3	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	83%	0.832	S	S	*	*			trans	-81.4	136.4	-179.5	-97	-26	0	0	0	112.5
43	V	23.6	Very low	27.5	Very low	129 Å²	129	137 Å²	137	78%	0.782	82%	0.818	S	S	*	*			trans	45.2	111.7	133.9	-169.1	0	0	0	0	118.2
44	A	28	Very low	27.5	Very low	104 Å²	104	134.8 Å²	134.8	86%	0.86	81%	0.809	S	S	*	*			trans	-132.3	126.9	146.5	0	0	0	0	0	109.4
45	S	22.9	Very low	27.7	Very low	109 Å²	109	133.6 Å²	133.6	76%	0.762	80%	0.801	S	S	*	*			trans	-80.5	127.8	180	50.7	0	0	0	0	111.6
46	E	27.4	Very low	27.8	Very low	189 Å²	189	135.9 Å²	135.9	88%	0.883	79%	0.793	S	S	*	*			trans	-134.5	112	159	-80.3	-172.2	167.1	0	0	110.4	N48	E46-N48 PolarHBondContact O-N 2.88Å
47	N	24.5	Very low	27.8	Very low	158 Å²	158	135.8 Å²	135.8	85%	0.845	79%	0.785	S	S	*	*			trans	-61.5	123.9	160.4	-77.8	-30.1	0	0	0	108.2
48	N	28.9	Very low	28	Very low	145 Å²	145	131 Å²	131	78%	0.775	77%	0.774	S	S	*	*			trans	-161.6	131.9	147.7	-99.3	-27.8	0	0	0	112.7	E46 S50	E46-N48 PolarHBondContact O-N 2.88Å; N48-S50 PolarHBondContact O-N 3.46Å
49	S	25	Very low	27.9	Very low	123 Å²	123	130.7 Å²	130.7	86%	0.86	76%	0.761	S	S	*	*			trans	-74.9	69.3	-172.2	52.7	0	0	0	0	113.3
50	S	27.7	Very low	27.8	Very low	90 Å²	90	133.1 Å²	133.1	63%	0.629	76%	0.755	S	S	*	*			trans	-131.9	19.2	177.3	60.9	0	0	0	0	115.1	N48	N48-S50 PolarHBondContact O-N 3.46Å
51	S	31	Very low	27.8	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	75%	0.747	S	S	*	*	S	Bend	trans	-80.3	-14	-176.6	42.3	0	0	0	0	115.5
52	Q	30.9	Very low	27.6	Very low	180 Å²	180	138.4 Å²	138.4	84%	0.841	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-22.2	177.2	-77.7	-176.8	-2.1	0	0	114
53	A	30.2	Very low	27.7	Very low	72 Å²	72	137.7 Å²	137.7	60%	0.595	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-13.7	179.5	0	0	0	0	0	113.6
54	F	30.1	Very low	27.8	Very low	159 Å²	159	135.3 Å²	135.3	70%	0.697	74%	0.742	S	S	*	*	H	α-helix	trans	-77.9	-30.7	-175.9	-156.9	-97.3	0	0	0	112.5	L56 K57	F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.31Å; F54-K57 PolarHBondContact O-N 2.97Å
55	F	28.8	Very low	27.8	Very low	180 Å²	180	140.7 Å²	140.7	79%	0.789	74%	0.742	S	S	*	*	H	α-helix	trans	-71	-28.2	179.5	-128.8	-93.7	0	0	0	113.1	T59	F55-T59 PolarHBondContact O-OG1 3.48Å
56	L	29.9	Very low	28.2	Very low	126 Å²	126	140.1 Å²	140.1	66%	0.66	73%	0.734	S	S	*	*	H	α-helix	trans	-77	-22.2	-179.9	-100.9	149.7	0	0	0	114.1	F54	F54-L56 VanDerWaalsContact C-N 3.33Å; F54-L56 PolarHBondContact O-N 3.31Å
57	K	28.5	Very low	28.3	Very low	164 Å²	164	137.4 Å²	137.4	71%	0.713	73%	0.73	S	S	*	*	H	α-helix	trans	-85.1	-24.3	-177.1	-91.9	-175.5	175.2	-179.5	0	114.1	F54 T59	F54-K57 PolarHBondContact O-N 2.97Å; K57-T59 VanDerWaalsContact C-N 3.32Å
58	Q	29.9	Very low	29	Very low	152 Å²	152	138.9 Å²	138.9	71%	0.71	73%	0.732	S	S	*	*	H	α-helix	trans	-77	-22.7	179.7	-149.8	165.4	28.7	0	0	112.5
59	T	29.4	Very low	29.6	Very low	94 Å²	94	135.3 Å²	135.3	58%	0.577	72%	0.722	S	S	*	*	H	α-helix	trans	-78.5	-23.5	176.3	-20.6	0	0	0	0	113.2	F55 K57	F55-T59 PolarHBondContact O-OG1 3.48Å; K57-T59 VanDerWaalsContact C-N 3.32Å
60	L	27.3	Very low	30.6	Very low	133 Å²	133	133.1 Å²	133.1	70%	0.696	70%	0.701	S	S	*	*	S	Bend	trans	-87.1	-8.5	-175.6	-116.4	120.4	0	0	0	114.9
61	I	26.7	Very low	31.6	Very low	135 Å²	135	133.1 Å²	133.1	69%	0.692	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-87.7	-11.3	-176.1	-63.6	177.3	0	0	0	112.8	V63	I61-V63 PolarHBondContact O-N 3.28Å
62	Y	24.7	Very low	32.6	Very low	217 Å²	217	130.6 Å²	130.6	85%	0.851	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-85.3	-0.3	-179.6	-98.5	-84.5	0	0	0	115.9
63	V	27.4	Very low	33.8	Very low	130 Å²	130	126.7 Å²	126.7	79%	0.788	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-90.4	-2.3	-173.9	-171.5	0	0	0	0	113.6	I61	I61-V63 PolarHBondContact O-N 3.28Å
64	A	24.8	Very low	35	Very low	78 Å²	78	127.6 Å²	127.6	65%	0.645	65%	0.654	S	S	*	*	S	Bend	trans	-93.7	0.2	-168.1	0	0	0	0	0	117.1
65	Y	27.1	Very low	36.4	Very low	218 Å²	218	124.9 Å²	124.9	86%	0.855	65%	0.647	S	S	*	*			trans	-144.5	76.6	-176.3	-72	-83.2	0	0	0	113.8
66	V	31.5	Very low	38	Very low	96 Å²	96	119.2 Å²	119.2	58%	0.582	62%	0.624	S	S	*	*			trans	-144.4	97.9	154	-170.9	0	0	0	0	110.4
67	T	30.5	Very low	39.7	Very low	133 Å²	133	117.5 Å²	117.5	82%	0.816	62%	0.615	S	S	*	*			trans	-65.1	145.7	156.7	44.1	0	0	0	0	110.4
68	E	38.6	Very low	41.6	Very low	189 Å²	189	112.2 Å²	112.2	88%	0.883	60%	0.603	S	S	*	*	S	Bend	trans	59.9	88.1	179.9	-67.3	-177.4	174.4	0	0	114.3	D70	E68-D70 PolarHBondContact O-N 3.42Å
69	A	42.4	Very low	43.3	Very low	69 Å²	69	110.8 Å²	110.8	57%	0.57	59%	0.594	S	S	*	*			trans	-65.2	101.9	-172.2	0	0	0	0	0	112.6	P71	A69-P71 WeakPolarHBondContact O-CD 3.27Å
70	D	45.7	Very low	45.4	Very low	77 Å²	77	111 Å²	111	41%	0.412	59%	0.589	S	S	.	*			trans	-63	115.9	164.6	-162.2	-24.7	0	0	0	108.2	E68 T72 K73 N74	E68-D70 PolarHBondContact O-N 3.42Å; D70-T72 PolarHBondContact O-N 2.93Å; D70-T72 PolarHBondContact OD1-N 3.27Å; D70-T72 PolarHBondContact OD1-OG1 2.91Å; D70-T72 PolarHBondContact OD2-OG1 3.41Å; D70-K73 HydrophobicContact CB-CB 4.43Å; D70-K73 HydrophobicContact CB-CD 4.39Å; D70-K73 HydrophobicContact CB-CG 4.26Å; D70-K73 PolarHBondContact O-N 2.88Å; D70-N74 PolarHBondContact O-N 3.47Å
71	P	48.5	Very low	47.7	Very low	91 Å²	91	107.3 Å²	107.3	59%	0.591	58%	0.577	S	S	*	*	H	α-helix	trans	-59.2	-23	-175.6	21.8	-32.3	0	0	0	112.6	A69 L75	A69-P71 WeakPolarHBondContact O-CD 3.27Å; P71-L75 WeakPolarHBondContact O-CG 3.45Å; P71-L75 PolarHBondContact O-N 2.97Å
72	T	52.2	Low	49.9	Very low	49 Å²	49	104.2 Å²	104.2	30%	0.301	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-42.8	174.4	58.1	0	0	0	0	112.5	D70 L75 I76	D70-T72 PolarHBondContact O-N 2.93Å; D70-T72 PolarHBondContact OD1-N 3.27Å; D70-T72 PolarHBondContact OD1-OG1 2.91Å; D70-T72 PolarHBondContact OD2-OG1 3.41Å; T72-L75 PolarHBondContact O-N 3.26Å; T72-I76 VanDerWaalsContact O-CG1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 3.29Å; T72-I76 PolarHBondContact O-N 3.45Å
73	K	55.1	Low	52.2	Low	99 Å²	99	95.7 Å²	95.7	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-46.9	176.2	-75.5	-175	176.1	179.1	0	111.3	D70 L75 I76 D77	D70-K73 HydrophobicContact CB-CB 4.43Å; D70-K73 HydrophobicContact CB-CD 4.39Å; D70-K73 HydrophobicContact CB-CG 4.26Å; D70-K73 PolarHBondContact O-N 2.88Å; K73-L75 PolarHBondContact O-N 3.46Å; K73-I76 PolarHBondContact O-N 3.42Å; K73-I76 VanDerWaalsContact O-N 3.08Å; K73-D77 WeakPolarHBondContact O-CB 3.4Å; K73-D77 PolarHBondContact O-N 3.13Å
74	N	56.5	Low	54.7	Low	90 Å²	90	93.7 Å²	93.7	48%	0.481	52%	0.516	S	S	.	.	H	α-helix	trans	-57	-38.1	177.7	-72	-12.4	0	0	0	112.7	D70 A78	D70-N74 PolarHBondContact O-N 3.47Å; N74-A78 VanDerWaalsContact O-CB 3.28Å; N74-A78 WeakPolarHBondContact O-CB 3.39Å; N74-A78 PolarHBondContact O-N 3.16Å
75	L	58.7	Low	57.2	Low	103 Å²	103	95.4 Å²	95.4	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-69.4	-45.8	176	-75.3	167.2	0	0	0	111.6	P71 T72 K73 D77 A78 F79	P71-L75 WeakPolarHBondContact O-CG 3.45Å; P71-L75 PolarHBondContact O-N 2.97Å; T72-L75 PolarHBondContact O-N 3.26Å; K73-L75 PolarHBondContact O-N 3.46Å; L75-D77 PolarHBondContact O-N 3.42Å; L75-A78 PolarHBondContact O-N 3.45Å; L75-F79 HydrophobicContact CB-CE2 4.36Å; L75-F79 WeakPolarHBondContact O-CD2 3.3Å; L75-F79 PolarHBondContact O-N 2.79Å
76	I	62.5	Low	59.7	Low	60 Å²	60	87 Å²	87	31%	0.308	48%	0.481	S	S	.	.	H	α-helix	trans	-58.5	-48.9	177.3	-66.5	163.6	0	0	0	110.1	T72 K73 A78 F79 E80 P171	T72-I76 VanDerWaalsContact O-CG1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 3.29Å; T72-I76 PolarHBondContact O-N 3.45Å; K73-I76 PolarHBondContact O-N 3.42Å; K73-I76 VanDerWaalsContact O-N 3.08Å; I76-A78 VanDerWaalsContact C-N 3.32Å; I76-A78 PolarHBondContact O-N 2.85Å; I76-F79 PolarHBondContact O-N 3.15Å; I76-F79 VanDerWaalsContact O-N 3.15Å; I76-E80 HydrophobicContact CG2-CG 4.49Å; I76-E80 WeakPolarHBondContact O-CG 3.35Å; I76-E80 PolarHBondContact O-N 2.92Å; I76-P171 HydrophobicContact CD1-CB 4.31Å
77	D	66.8	Low	62.2	Low	90 Å²	90	83.7 Å²	83.7	48%	0.481	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-40.9	178.9	-64	-19.1	0	0	0	111.3	K73 L75 E80 A81	K73-D77 WeakPolarHBondContact O-CB 3.4Å; K73-D77 PolarHBondContact O-N 3.13Å; L75-D77 PolarHBondContact O-N 3.42Å; D77-E80 PolarHBondContact O-N 2.85Å; D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.87Å
78	A	66.5	Low	64.7	Low	54 Å²	54	83.7 Å²	83.7	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-41	175.7	0	0	0	0	0	112.4	N74 L75 I76 A81 V82	N74-A78 VanDerWaalsContact O-CB 3.28Å; N74-A78 WeakPolarHBondContact O-CB 3.39Å; N74-A78 PolarHBondContact O-N 3.16Å; L75-A78 PolarHBondContact O-N 3.45Å; I76-A78 VanDerWaalsContact C-N 3.32Å; I76-A78 PolarHBondContact O-N 2.85Å; A78-A81 PolarHBondContact O-N 3.31Å; A78-V82 WeakPolarHBondContact O-CG2 3.41Å; A78-V82 PolarHBondContact O-N 3.26Å; A78-V82 VanDerWaalsContact O-N 3.1Å
79	F	67.5	Low	66.9	Low	121 Å²	121	75.9 Å²	75.9	53%	0.531	43%	0.426	S	S	.	.	H	α-helix	trans	-68.7	-40.6	176.5	-74.8	-62.8	0	0	0	112.4	L75 I76 A81 V82 E83	L75-F79 HydrophobicContact CB-CE2 4.36Å; L75-F79 WeakPolarHBondContact O-CD2 3.3Å; L75-F79 PolarHBondContact O-N 2.79Å; I76-F79 PolarHBondContact O-N 3.15Å; I76-F79 VanDerWaalsContact O-N 3.15Å; F79-A81 VanDerWaalsContact C-N 3.33Å; F79-V82 PolarHBondContact O-N 3.34Å; F79-E83 PolarHBondContact O-N 2.97Å; F79-E83 VanDerWaalsContact O-N 3.14Å
80	E	72.5	Confident	69.1	Low	100 Å²	100	73.5 Å²	73.5	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-61.8	-42.1	173.7	-73.1	-175.6	-178.3	0	0	111.3	I76 D77 V82 E83 I84	I76-E80 HydrophobicContact CG2-CG 4.49Å; I76-E80 WeakPolarHBondContact O-CG 3.35Å; I76-E80 PolarHBondContact O-N 2.92Å; D77-E80 PolarHBondContact O-N 2.85Å; E80-V82 PolarHBondContact O-N 3.26Å; E80-E83 PolarHBondContact O-N 2.92Å; E80-E83 VanDerWaalsContact O-N 3.15Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.36Å
81	A	75.3	Confident	71.3	Confident	55 Å²	55	73.2 Å²	73.2	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.2	0	0	0	0	0	112.7	D77 A78 F79 E83 I84 Q85	D77-A81 WeakPolarHBondContact O-CB 3.37Å; D77-A81 PolarHBondContact O-N 2.87Å; A78-A81 PolarHBondContact O-N 3.31Å; F79-A81 VanDerWaalsContact C-N 3.33Å; A81-E83 PolarHBondContact O-N 3.49Å; A81-I84 PolarHBondContact O-N 2.86Å; A81-Q85 WeakPolarHBondContact O-CB 3.46Å; A81-Q85 PolarHBondContact O-N 3.11Å
82	V	72.4	Confident	73.4	Confident	70 Å²	70	70.5 Å²	70.5	42%	0.424	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-34.6	176.1	170.2	0	0	0	0	111.5	A78 F79 E80 Q85 N86	A78-V82 WeakPolarHBondContact O-CG2 3.41Å; A78-V82 PolarHBondContact O-N 3.26Å; A78-V82 VanDerWaalsContact O-N 3.1Å; F79-V82 PolarHBondContact O-N 3.34Å; E80-V82 PolarHBondContact O-N 3.26Å; V82-Q85 WeakPolarHBondContact O-CB 2.97Å; V82-Q85 PolarHBondContact O-N 3.39Å; V82-N86 WeakPolarHBondContact O-CB 3.23Å; V82-N86 VanDerWaalsContact O-CG 3.25Å; V82-N86 PolarHBondContact O-N 3.19Å; V82-N86 PolarHBondContact O-ND2 2.94Å
83	E	73.4	Confident	75.3	Confident	37 Å²	37	72 Å²	72	17%	0.173	40%	0.397	C	S	.	.	H	α-helix	trans	-81.4	-35.5	-179.1	-79.2	-117.3	-128.2	0	0	114.1	F79 E80 A81 Q85 N86 A87 H148 R168	F79-E83 PolarHBondContact O-N 2.97Å; F79-E83 VanDerWaalsContact O-N 3.14Å; E80-E83 PolarHBondContact O-N 2.92Å; E80-E83 VanDerWaalsContact O-N 3.15Å; A81-E83 PolarHBondContact O-N 3.49Å; E83-Q85 PolarHBondContact O-N 2.95Å; E83-N86 PolarHBondContact O-N 2.87Å; E83-A87 VanDerWaalsContact O-CB 3.26Å; E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 2.75Å; E83-H148 IonicContact OE1-CE1 3.65Å; E83-H148 PolarHBondContact OE1-CE1 3.43Å; E83-H148 VanDerWaalsContact OE1-CE1 3.31Å; E83-H148 IonicContact OE1-ND1 3.83Å; E83-H148 IonicContact OE2-CE1 3.31Å; E83-H148 PolarHBondContact OE2-CE1 3.42Å; E83-H148 IonicContact OE2-ND1 2.74Å; E83-H148 PolarHBondContact OE2-ND1 3.47Å; E83-R168 IonicContact OE1-CZ 3.54Å; E83-R168 IonicContact OE1-NE 3.68Å; E83-R168 IonicContact OE1-NH2 3.41Å; E83-R168 PolarHBondContact OE1-NH2 2.77Å
84	I	79.7	Confident	77.1	Confident	89 Å²	89	68.3 Å²	68.3	46%	0.456	39%	0.387	S	S	.	.	H	α-helix	trans	-58.8	-42.8	165.8	-65.8	166.5	0	0	0	109.1	E80 A81 A87 N88	E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.36Å; A81-I84 PolarHBondContact O-N 2.86Å; I84-A87 PolarHBondContact O-N 3.1Å; I84-N88 WeakPolarHBondContact O-CB 3.48Å; I84-N88 PolarHBondContact O-N 2.8Å; I84-N88 PolarHBondContact O-ND2 2.84Å
85	Q	78	Confident	78.9	Confident	114 Å²	114	68.8 Å²	68.8	53%	0.533	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-46.3	175.7	-174	-176.3	-11.9	0	0	112	A81 V82 E83 N88 A89	A81-Q85 WeakPolarHBondContact O-CB 3.46Å; A81-Q85 PolarHBondContact O-N 3.11Å; V82-Q85 WeakPolarHBondContact O-CB 2.97Å; V82-Q85 PolarHBondContact O-N 3.39Å; E83-Q85 PolarHBondContact O-N 2.95Å; Q85-N88 PolarHBondContact O-N 2.91Å; Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 3.45Å
86	N	80.2	Confident	80.6	Confident	42 Å²	42	66 Å²	66	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-66.1	-37.1	177.7	-73.7	-25	0	0	0	112.4	V82 E83 A89 R90 F114 Y115	V82-N86 WeakPolarHBondContact O-CB 3.23Å; V82-N86 VanDerWaalsContact O-CG 3.25Å; V82-N86 PolarHBondContact O-N 3.19Å; V82-N86 PolarHBondContact O-ND2 2.94Å; E83-N86 PolarHBondContact O-N 2.87Å; N86-A89 PolarHBondContact O-N 2.97Å; N86-R90 WeakPolarHBondContact O-CG 3.39Å; N86-R90 PolarHBondContact O-N 3.42Å; N86-R90 PolarHBondContact O-NH1 3.32Å; N86-F114 HydrophobicContact CB-CE2 4.2Å; N86-F114 HydrophobicContact CB-CZ 4.4Å; N86-F114 WeakPolarHBondContact O-CE2 3.28Å; N86-Y115 PolarHBondContact OD1-OH 3.49Å
87	A	82.2	Confident	82.2	Confident	26 Å²	26	66.3 Å²	66.3	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-45.9	174.6	0	0	0	0	0	111.3	E83 I84 A89 R90	E83-A87 VanDerWaalsContact O-CB 3.26Å; E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 2.75Å; I84-A87 PolarHBondContact O-N 3.1Å; A87-A89 PolarHBondContact O-N 3.38Å; A87-R90 VanDerWaalsContact CA-NH2 3.33Å; A87-R90 PolarHBondContact O-N 2.92Å
88	N	84.8	Confident	83.3	Confident	133 Å²	133	62.7 Å²	62.7	71%	0.711	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-26.8	175.5	-68.7	-21.7	0	0	0	112.9	I84 Q85 R90	I84-N88 WeakPolarHBondContact O-CB 3.48Å; I84-N88 PolarHBondContact O-N 2.8Å; I84-N88 PolarHBondContact O-ND2 2.84Å; Q85-N88 PolarHBondContact O-N 2.91Å; N88-R90 VanDerWaalsContact C-N 3.35Å
89	A	84	Confident	84.5	Confident	24 Å²	24	66.1 Å²	66.1	20%	0.198	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.5	176	0	0	0	0	0	113.7	Q85 N86 A87 F114 Y115	Q85-A89 WeakPolarHBondContact O-CB 3.27Å; Q85-A89 PolarHBondContact O-N 3.45Å; N86-A89 PolarHBondContact O-N 2.97Å; A87-A89 PolarHBondContact O-N 3.38Å; A89-F114 HydrophobicContact CB-CD2 4.3Å; A89-F114 HydrophobicContact CB-CE2 4.15Å; A89-F114 WeakPolarHBondContact O-CA 3.46Å; A89-Y115 HydrophobicContact CB-CD1 3.74Å; A89-Y115 HydrophobicContact CB-CD2 3.86Å; A89-Y115 HydrophobicContact CB-CE1 3.44Å; A89-Y115 VanDerWaalsContact CB-CE1 3.44Å; A89-Y115 HydrophobicContact CB-CE2 3.58Å; A89-Y115 HydrophobicContact CB-CG 3.94Å; A89-Y115 PolarHBondContact O-N 2.93Å
90	R	89.5	Confident	85.4	Confident	20 Å²	20	64.3 Å²	64.3	8%	0.075	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.7	172.4	-72.4	-175.2	-60.8	-96.2	6	110	N86 A87 N88 L112 T113 F114 T145 T149 N152 E154	N86-R90 WeakPolarHBondContact O-CG 3.39Å; N86-R90 PolarHBondContact O-N 3.42Å; N86-R90 PolarHBondContact O-NH1 3.32Å; A87-R90 VanDerWaalsContact CA-NH2 3.33Å; A87-R90 PolarHBondContact O-N 2.92Å; N88-R90 VanDerWaalsContact C-N 3.35Å; R90-L112 HydrophobicContact CG-CD1 4.47Å; R90-T113 VanDerWaalsContact CA-O 3.32Å; R90-T113 WeakPolarHBondContact CA-O 3.49Å; R90-F114 HydrophobicContact CB-CD2 4.45Å; R90-F114 HydrophobicContact CG-CB 4.47Å; R90-F114 HydrophobicContact CG-CD2 3.36Å; R90-F114 HydrophobicContact CG-CE2 3.9Å; R90-F114 HydrophobicContact CG-CG 4.27Å; R90-T145 VanDerWaalsContact CD-CG2 3.49Å; R90-T145 HydrophobicContact CG-CG2 4Å; R90-T149 WeakPolarHBondContact CD-OG1 3.34Å; R90-N152 PolarHBondContact NH2-ND2 3.25Å; R90-E154 IonicContact CZ-OE1 2.85Å; R90-E154 VanDerWaalsContact CZ-OE1 3.31Å; R90-E154 IonicContact NE-OE1 2.95Å; R90-E154 PolarHBondContact NE-OE1 3.3Å; R90-E154 IonicContact NE-OE2 3.33Å; R90-E154 PolarHBondContact NE-OE2 2.86Å; R90-E154 IonicContact NH2-OE1 3.19Å; R90-E154 PolarHBondContact NH2-OE1 3.22Å
91	S	91.5	Very high	86.2	Confident	71 Å²	71	68.2 Å²	68.2	50%	0.497	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.7	167	173.6	0	0	0	0	109.3	T113	S91-T113 WeakPolarHBondContact CB-OG1 3.24Å; S91-T113 PolarHBondContact N-O 3.26Å; S91-T113 PolarHBondContact O-N 2.93Å; S91-T113 PolarHBondContact O-OG1 2.87Å; S91-T113 VanDerWaalsContact O-OG1 3.04Å
92	T	92.5	Very high	86.9	Confident	33 Å²	33	67 Å²	67	20%	0.202	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	-172.8	50.6	0	0	0	0	110.2	T111 L112 T149 E154 L155	T92-T111 CarbonylContact C-O 3.57Å; T92-T111 WeakPolarHBondContact CA-O 3.32Å; T92-L112 HydrophobicContact CG2-CB 4.48Å; T92-L112 HydrophobicContact CG2-CD1 3.39Å; T92-L112 HydrophobicContact CG2-CG 4.49Å; T92-T149 HydrophobicContact CG2-CG2 3.48Å; T92-T149 VanDerWaalsContact CG2-CG2 3.48Å; T92-E154 HydrophobicContact CG2-CB 4.39Å; T92-E154 PolarHBondContact OG1-O 2.96Å; T92-L155 HydrophobicContact CG2-CD2 4.27Å
93	T	92.8	Very high	87.9	Confident	80 Å²	80	71.6 Å²	71.6	49%	0.491	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.8	168.1	58.2	0	0	0	0	108.1	L110 T111	T93-L110 VanDerWaalsContact O-CA 3.26Å; T93-L110 WeakPolarHBondContact O-CA 3.42Å; T93-L110 WeakPolarHBondContact O-CD1 3.37Å; T93-T111 PolarHBondContact N-O 3.41Å; T93-T111 PolarHBondContact O-N 3.12Å; T93-T111 WeakPolarHBondContact OG1-CB 3.37Å
94	G	92.7	Very high	88.9	Confident	22 Å²	22	72.3 Å²	72.3	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	149.4	179.2	0	0	0	0	0	110.2
95	V	94.3	Very high	89.6	Confident	101 Å²	101	68 Å²	68	61%	0.612	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	126	-179	-178.3	0	0	0	0	108.9	T97 I107 E108	V95-T97 PolarHBondContact O-N 3.47Å; V95-I107 WeakPolarHBondContact O-CA 3.31Å; V95-E108 PolarHBondContact N-O 2.85Å; V95-E108 PolarHBondContact O-N 3.43Å
96	L	94.4	Very high	90.5	Very high	44 Å²	44	66.4 Å²	66.4	23%	0.23	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	116	171.8	-175.4	73.1	0	0	0	109	S98 I107 P156 P158	L96-S98 WeakPolarHBondContact CD1-OG 3.43Å; L96-I107 HydrophobicContact CD1-CG1 4.1Å; L96-P156 HydrophobicContact CB-CB 4.14Å; L96-P156 HydrophobicContact CB-CG 3.97Å; L96-P156 WeakPolarHBondContact CD1-O 3.28Å; L96-P158 HydrophobicContact CD2-CG 3.93Å
97	T	94.5	Very high	91.3	Very high	67 Å²	67	64.5 Å²	64.5	41%	0.411	35%	0.35	S	S	.	.			trans	-103.2	-16.3	178.1	55.4	0	0	0	0	112.7	V95 K106 E108	V95-T97 PolarHBondContact O-N 3.47Å; T97-K106 PolarHBondContact N-O 3.32Å; T97-K106 WeakPolarHBondContact OG1-CB 3.34Å; T97-K106 PolarHBondContact OG1-O 3.16Å; T97-E108 HydrophobicContact CG2-CB 3.94Å; T97-E108 HydrophobicContact CG2-CG 3.81Å
98	S	91.6	Very high	91.9	Very high	13 Å²	13	68.7 Å²	68.7	9%	0.091	37%	0.365	C	S	.	.	S	Bend	trans	-73.9	153.3	169.1	58.4	0	0	0	0	111.5	L96 D104 K106	L96-S98 WeakPolarHBondContact CD1-OG 3.43Å; S98-D104 WeakPolarHBondContact CB-O 3.4Å; S98-D104 PolarHBondContact OG-O 3.12Å; S98-K106 PolarHBondContact N-O 3.46Å; S98-K106 PolarHBondContact OG-N 3.27Å; S98-K106 VanDerWaalsContact OG-N 3.1Å
99	H	90.7	Very high	92.4	Very high	127 Å²	127	63.7 Å²	63.7	59%	0.588	34%	0.344	S	S	*	.			trans	-60.4	138	177.1	-175.8	-88.9	0	0	0	110.4	K101 S102	H99-K101 PolarHBondContact ND1-N 3.43Å; H99-K101 VanDerWaalsContact ND1-N 3.19Å; H99-K101 PolarHBondContact O-N 3.35Å; H99-S102 WeakPolarHBondContact O-CA 3.19Å; H99-S102 WeakPolarHBondContact O-CB 3.46Å; H99-S102 PolarHBondContact O-N 2.99Å
100	P	86.1	Confident	93	Very high	83 Å²	83	62.5 Å²	62.5	54%	0.539	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.2	-174.7	-28.8	35.3	0	0	0	115.2	P158 H160	P100-P158 WeakPolarHBondContact O-CB 3.44Å; P100-H160 PolarHBondContact O-CE1 3.31Å
101	K	88.5	Confident	93.3	Very high	182 Å²	182	63.1 Å²	63.1	79%	0.791	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	8.3	175.3	-58	-175	177.8	-178.1	0	114.2	H99	H99-K101 PolarHBondContact ND1-N 3.43Å; H99-K101 VanDerWaalsContact ND1-N 3.19Å; H99-K101 PolarHBondContact O-N 3.35Å
102	S	91.7	Very high	93.5	Very high	30 Å²	30	59.8 Å²	59.8	21%	0.21	32%	0.317	C	S	.	.			trans	-69.1	152.6	179.9	-172	0	0	0	0	111.1	H99 D104 H160 F161	H99-S102 WeakPolarHBondContact O-CA 3.19Å; H99-S102 WeakPolarHBondContact O-CB 3.46Å; H99-S102 PolarHBondContact O-N 2.99Å; S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 PolarHBondContact OG-N 3.48Å; S102-D104 PolarHBondContact OG-O 3.46Å; S102-H160 PolarHBondContact O-CE1 3.4Å; S102-H160 PolarHBondContact O-NE2 2.94Å; S102-F161 WeakPolarHBondContact O-CE2 3.33Å
103	R	92	Very high	93.5	Very high	166 Å²	166	60 Å²	60	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-86.1	-2.5	167.3	-63.8	-176.1	179.4	177.3	-0.9	112.8	W129 F161	R103-W129 HydrophobicContact CB-CB 4.07Å; R103-W129 HydrophobicContact CB-CD2 4.28Å; R103-W129 HydrophobicContact CB-CE3 4.22Å; R103-W129 HydrophobicContact CB-CG 4.24Å; R103-F161 WeakPolarHBondContact O-CZ 3.42Å
104	D	94.7	Very high	93.3	Very high	51 Å²	51	58.4 Å²	58.4	27%	0.273	31%	0.305	S	S	.	.	S	Bend	trans	-109.6	143.9	177	-58.2	-30	0	0	0	110.7	S98 S102 N128 W129	S98-D104 WeakPolarHBondContact CB-O 3.4Å; S98-D104 PolarHBondContact OG-O 3.12Å; S102-D104 VanDerWaalsContact C-N 3.27Å; S102-D104 PolarHBondContact OG-N 3.48Å; S102-D104 PolarHBondContact OG-O 3.46Å; D104-N128 VanDerWaalsContact OD1-CA 3.28Å; D104-N128 WeakPolarHBondContact OD1-CA 3.23Å; D104-W129 PolarHBondContact OD1-N 2.74Å
105	I	95.4	Very high	92.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.5	177.2	-55.7	171	0	0	0	107.9	I107 E126 L127 I157 F161 L270	I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 4.15Å; I105-E126 WeakPolarHBondContact O-CA 3.33Å; I105-L127 HydrophobicContact CB-CB 4.29Å; I105-L127 PolarHBondContact N-O 3.19Å; I105-L127 PolarHBondContact O-N 2.82Å; I105-I157 HydrophobicContact CD1-CG2 3.85Å; I105-I157 HydrophobicContact CG1-CG2 4.48Å; I105-I157 HydrophobicContact CG2-CG1 4.4Å; I105-F161 HydrophobicContact CD1-CD1 3.89Å; I105-F161 HydrophobicContact CD1-CD2 4.5Å; I105-F161 HydrophobicContact CD1-CE1 3.81Å; I105-F161 HydrophobicContact CD1-CE2 4.42Å; I105-F161 HydrophobicContact CD1-CG 4.23Å; I105-F161 HydrophobicContact CD1-CZ 4.07Å; I105-F161 HydrophobicContact CG1-CD1 4.28Å; I105-F161 HydrophobicContact CG1-CD2 4.41Å; I105-F161 HydrophobicContact CG1-CE1 3.75Å; I105-F161 HydrophobicContact CG1-CE2 3.89Å; I105-F161 HydrophobicContact CG1-CZ 3.53Å; I105-L270 HydrophobicContact CD1-CD2 4.06Å
106	K	96.7	Very high	92.1	Very high	80 Å²	80	62.2 Å²	62.2	35%	0.348	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.1	171.3	-64.9	-175.5	176	-170.3	0	109	T97 S98 L125 E126	T97-K106 PolarHBondContact N-O 3.32Å; T97-K106 WeakPolarHBondContact OG1-CB 3.34Å; T97-K106 PolarHBondContact OG1-O 3.16Å; S98-K106 PolarHBondContact N-O 3.46Å; S98-K106 PolarHBondContact OG-N 3.27Å; S98-K106 VanDerWaalsContact OG-N 3.1Å; K106-L125 WeakPolarHBondContact CA-O 3.17Å; K106-E126 VanDerWaalsContact CE-OE1 3.23Å; K106-E126 WeakPolarHBondContact CE-OE1 3.31Å; K106-E126 HydrophobicContact CG-CG 4.16Å; K106-E126 IonicContact NZ-OE1 3.21Å; K106-E126 PolarHBondContact NZ-OE1 3.34Å
107	I	96.5	Very high	91.7	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.9	178	-64	160	0	0	0	107.6	V95 L96 I105 L110 R124 L125 L155 I157	V95-I107 WeakPolarHBondContact O-CA 3.31Å; L96-I107 HydrophobicContact CD1-CG1 4.1Å; I105-I107 HydrophobicContact CG2-CD1 3.83Å; I105-I107 HydrophobicContact CG2-CG1 4.15Å; I107-L110 HydrophobicContact CG2-CB 4.42Å; I107-R124 CarbonylContact O-C 3.58Å; I107-R124 WeakPolarHBondContact O-CA 3.41Å; I107-L125 HydrophobicContact CB-CB 4.3Å; I107-L125 HydrophobicContact CD1-CD2 4.22Å; I107-L125 PolarHBondContact N-O 3.01Å; I107-L125 PolarHBondContact O-N 2.58Å; I107-L155 HydrophobicContact CD1-CB 3.88Å; I107-L155 HydrophobicContact CD1-CD1 4.09Å; I107-I157 HydrophobicContact CD1-CG1 4.26Å
108	E	95.8	Very high	91.6	Very high	115 Å²	115	64 Å²	64	54%	0.537	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.4	175.8	-64.6	-169.8	164.7	0	0	110.7	V95 T97 L110	V95-E108 PolarHBondContact N-O 2.85Å; V95-E108 PolarHBondContact O-N 3.43Å; T97-E108 HydrophobicContact CG2-CB 3.94Å; T97-E108 HydrophobicContact CG2-CG 3.81Å; E108-L110 VanDerWaalsContact C-N 3.25Å; E108-L110 PolarHBondContact O-N 3.39Å
109	G	94.5	Very high	91.6	Very high	27 Å²	27	64.2 Å²	64.2	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.9	30.9	-176.4	0	0	0	0	0	113.2	T111 D122 A123	G109-T111 PolarHBondContact O-N 2.99Å; G109-D122 WeakPolarHBondContact CA-OD1 3.36Å; G109-A123 PolarHBondContact N-O 3.16Å
110	L	95.9	Very high	91.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	107.3	-179.7	175.8	61.5	0	0	0	110.5	T93 I107 E108 L120 D122 A123 L125 L146 L155 L324	T93-L110 VanDerWaalsContact O-CA 3.26Å; T93-L110 WeakPolarHBondContact O-CA 3.42Å; T93-L110 WeakPolarHBondContact O-CD1 3.37Å; I107-L110 HydrophobicContact CG2-CB 4.42Å; E108-L110 VanDerWaalsContact C-N 3.25Å; E108-L110 PolarHBondContact O-N 3.39Å; L110-L120 HydrophobicContact CD2-CD1 3.78Å; L110-L120 HydrophobicContact CG-CD1 4.16Å; L110-D122 PolarHBondContact O-N 3.46Å; L110-A123 HydrophobicContact CB-CB 4.24Å; L110-A123 VanDerWaalsContact CB-O 3.28Å; L110-A123 WeakPolarHBondContact CB-O 3.46Å; L110-A123 PolarHBondContact N-O 3.18Å; L110-A123 WeakPolarHBondContact O-CB 3.47Å; L110-A123 PolarHBondContact O-N 3.27Å; L110-L125 HydrophobicContact CD2-CB 3.82Å; L110-L125 HydrophobicContact CD2-CD2 4.38Å; L110-L146 HydrophobicContact CD2-CD1 4.19Å; L110-L155 HydrophobicContact CD1-CD1 4.02Å; L110-L155 HydrophobicContact CD1-CD2 3.37Å; L110-L155 HydrophobicContact CD1-CG 4.36Å; L110-L155 HydrophobicContact CD2-CD1 4.47Å; L110-L324 HydrophobicContact CD2-CD1 4.34Å
111	T	96.4	Very high	92.3	Very high	33 Å²	33	56.1 Å²	56.1	20%	0.202	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.6	169	-62.4	0	0	0	0	108.7	T92 T93 G109 T113 E118 L120 D122	T92-T111 CarbonylContact C-O 3.57Å; T92-T111 WeakPolarHBondContact CA-O 3.32Å; T93-T111 PolarHBondContact N-O 3.41Å; T93-T111 PolarHBondContact O-N 3.12Å; T93-T111 WeakPolarHBondContact OG1-CB 3.37Å; G109-T111 PolarHBondContact O-N 2.99Å; T111-T113 HydrophobicContact CG2-CG2 4.32Å; T111-E118 HydrophobicContact CG2-CG 4.44Å; T111-L120 CarbonylContact C-O 3.6Å; T111-L120 VanDerWaalsContact CA-O 3.28Å; T111-L120 WeakPolarHBondContact CA-O 3.44Å; T111-L120 WeakPolarHBondContact CG2-O 3.4Å; T111-D122 PolarHBondContact OG1-N 3.47Å
112	L	95.3	Very high	92.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.2	178.9	169	63.3	0	0	0	108.5	R90 T92 L119 L120 T145 L146 T149	R90-L112 HydrophobicContact CG-CD1 4.47Å; T92-L112 HydrophobicContact CG2-CB 4.48Å; T92-L112 HydrophobicContact CG2-CD1 3.39Å; T92-L112 HydrophobicContact CG2-CG 4.49Å; L112-L119 HydrophobicContact CD2-CB 4.44Å; L112-L119 HydrophobicContact CD2-CD1 4.31Å; L112-L119 HydrophobicContact CG-CB 4.36Å; L112-L119 HydrophobicContact CG-CD1 4.4Å; L112-L119 PolarHBondContact O-N 3.31Å; L112-L120 HydrophobicContact CB-CB 3.98Å; L112-L120 HydrophobicContact CB-CD1 4.18Å; L112-L120 HydrophobicContact CB-CG 4.35Å; L112-L120 HydrophobicContact CD2-CD1 4.33Å; L112-L120 PolarHBondContact N-O 3.48Å; L112-L120 PolarHBondContact O-N 2.98Å; L112-L120 VanDerWaalsContact O-N 3.12Å; L112-T145 HydrophobicContact CD1-CG2 4.43Å; L112-T145 HydrophobicContact CD2-CG2 4.14Å; L112-L146 HydrophobicContact CD2-CB 4.35Å; L112-T149 WeakPolarHBondContact CD1-OG1 3.43Å
113	T	93	Very high	92.8	Very high	38 Å²	38	51 Å²	51	23%	0.233	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.9	174.8	62.4	0	0	0	0	109.8	R90 S91 T111 S117 E118	R90-T113 VanDerWaalsContact CA-O 3.32Å; R90-T113 WeakPolarHBondContact CA-O 3.49Å; S91-T113 WeakPolarHBondContact CB-OG1 3.24Å; S91-T113 PolarHBondContact N-O 3.26Å; S91-T113 PolarHBondContact O-N 2.93Å; S91-T113 PolarHBondContact O-OG1 2.87Å; S91-T113 VanDerWaalsContact O-OG1 3.04Å; T111-T113 HydrophobicContact CG2-CG2 4.32Å; T113-S117 CarbonylContact C-O 3.45Å; T113-S117 WeakPolarHBondContact CA-O 3.15Å; T113-E118 HydrophobicContact CG2-CB 4.34Å; T113-E118 HydrophobicContact CG2-CG 4.29Å
114	F	88.4	Confident	93	Very high	47 Å²	47	49.7 Å²	49.7	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	121.1	179.1	-176.5	-125.1	0	0	0	109.8	N86 A89 R90 G116 S117 L119 T145	N86-F114 HydrophobicContact CB-CE2 4.2Å; N86-F114 HydrophobicContact CB-CZ 4.4Å; N86-F114 WeakPolarHBondContact O-CE2 3.28Å; A89-F114 HydrophobicContact CB-CD2 4.3Å; A89-F114 HydrophobicContact CB-CE2 4.15Å; A89-F114 WeakPolarHBondContact O-CA 3.46Å; R90-F114 HydrophobicContact CB-CD2 4.45Å; R90-F114 HydrophobicContact CG-CB 4.47Å; R90-F114 HydrophobicContact CG-CD2 3.36Å; R90-F114 HydrophobicContact CG-CE2 3.9Å; R90-F114 HydrophobicContact CG-CG 4.27Å; F114-G116 PolarHBondContact O-N 3.17Å; F114-G116 VanDerWaalsContact O-N 3.16Å; F114-S117 PolarHBondContact N-O 3.46Å; F114-S117 WeakPolarHBondContact O-CB 3.5Å; F114-S117 PolarHBondContact O-N 2.81Å; F114-L119 HydrophobicContact CB-CD1 3.63Å; F114-L119 HydrophobicContact CB-CG 4.23Å; F114-L119 HydrophobicContact CG-CD1 4.45Å; F114-T145 HydrophobicContact CB-CG2 4.13Å; F114-T145 HydrophobicContact CD1-CG2 4.41Å; F114-T145 HydrophobicContact CD2-CG2 4.27Å; F114-T145 HydrophobicContact CG-CG2 4.03Å
115	Y	81.2	Confident	93.1	Very high	124 Å²	124	47.4 Å²	47.4	49%	0.486	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	40.9	-173.7	-70.6	-76.9	0	0	0	113.1	N86 A89 S117	N86-Y115 PolarHBondContact OD1-OH 3.49Å; A89-Y115 HydrophobicContact CB-CD1 3.74Å; A89-Y115 HydrophobicContact CB-CD2 3.86Å; A89-Y115 HydrophobicContact CB-CE1 3.44Å; A89-Y115 VanDerWaalsContact CB-CE1 3.44Å; A89-Y115 HydrophobicContact CB-CE2 3.58Å; A89-Y115 HydrophobicContact CB-CG 3.94Å; A89-Y115 PolarHBondContact O-N 2.93Å; Y115-S117 PolarHBondContact O-N 2.9Å
116	G	81.8	Confident	93.1	Very high	79 Å²	79	49.7 Å²	49.7	81%	0.814	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	-6	-179.2	0	0	0	0	0	115.5	F114	F114-G116 PolarHBondContact O-N 3.17Å; F114-G116 VanDerWaalsContact O-N 3.16Å
117	S	86.1	Confident	93.1	Very high	68 Å²	68	46 Å²	46	48%	0.476	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	172.8	-174	0	0	0	0	110.3	T113 F114 Y115 L119	T113-S117 CarbonylContact C-O 3.45Å; T113-S117 WeakPolarHBondContact CA-O 3.15Å; F114-S117 PolarHBondContact N-O 3.46Å; F114-S117 WeakPolarHBondContact O-CB 3.5Å; F114-S117 PolarHBondContact O-N 2.81Å; Y115-S117 PolarHBondContact O-N 2.9Å; S117-L119 PolarHBondContact O-N 3.07Å
118	E	90.4	Very high	93.1	Very high	79 Å²	79	46.5 Å²	46.5	37%	0.369	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.4	175	-168.3	172.6	175.9	0	0	110.1	T111 T113 S121	T111-E118 HydrophobicContact CG2-CG 4.44Å; T113-E118 HydrophobicContact CG2-CB 4.34Å; T113-E118 HydrophobicContact CG2-CG 4.29Å; E118-S121 VanDerWaalsContact OE1-CA 3.27Å; E118-S121 WeakPolarHBondContact OE1-CA 3.35Å; E118-S121 WeakPolarHBondContact OE1-CB 3.5Å; E118-S121 PolarHBondContact OE1-OG 2.84Å
119	L	92.5	Very high	93.1	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-38	-178.3	-57.9	-179.9	0	0	0	111.4	L112 F114 S117 T145 Q322	L112-L119 HydrophobicContact CD2-CB 4.44Å; L112-L119 HydrophobicContact CD2-CD1 4.31Å; L112-L119 HydrophobicContact CG-CB 4.36Å; L112-L119 HydrophobicContact CG-CD1 4.4Å; L112-L119 PolarHBondContact O-N 3.31Å; F114-L119 HydrophobicContact CB-CD1 3.63Å; F114-L119 HydrophobicContact CB-CG 4.23Å; F114-L119 HydrophobicContact CG-CD1 4.45Å; S117-L119 PolarHBondContact O-N 3.07Å; L119-T145 HydrophobicContact CD1-CG2 3.69Å; L119-Q322 WeakPolarHBondContact O-CA 3.46Å
120	L	96.1	Very high	93.1	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.6	172	-67.6	170.5	0	0	0	109.3	L110 T111 L112 A123 L146 L319 Q322 L324	L110-L120 HydrophobicContact CD2-CD1 3.78Å; L110-L120 HydrophobicContact CG-CD1 4.16Å; T111-L120 CarbonylContact C-O 3.6Å; T111-L120 VanDerWaalsContact CA-O 3.28Å; T111-L120 WeakPolarHBondContact CA-O 3.44Å; T111-L120 WeakPolarHBondContact CG2-O 3.4Å; L112-L120 HydrophobicContact CB-CB 3.98Å; L112-L120 HydrophobicContact CB-CD1 4.18Å; L112-L120 HydrophobicContact CB-CG 4.35Å; L112-L120 HydrophobicContact CD2-CD1 4.33Å; L112-L120 PolarHBondContact N-O 3.48Å; L112-L120 PolarHBondContact O-N 2.98Å; L112-L120 VanDerWaalsContact O-N 3.12Å; L120-A123 HydrophobicContact CB-CB 4.25Å; L120-A123 HydrophobicContact CD2-CB 4.04Å; L120-L146 HydrophobicContact CD1-CD1 3.87Å; L120-L146 HydrophobicContact CD1-CD2 4.33Å; L120-L319 HydrophobicContact CD2-CD1 3.3Å; L120-L319 HydrophobicContact CG-CD1 4.33Å; L120-Q322 WeakPolarHBondContact CA-O 3.4Å; L120-L324 HydrophobicContact CD1-CD1 4.35Å; L120-L324 HydrophobicContact CD2-CD2 4.09Å; L120-L324 HydrophobicContact CD2-CG 3.93Å
121	S	95.3	Very high	93.2	Very high	37 Å²	37	50.1 Å²	50.1	26%	0.259	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.4	179.2	-168.9	0	0	0	0	108.9	E118 A123 Q322 K323	E118-S121 VanDerWaalsContact OE1-CA 3.27Å; E118-S121 WeakPolarHBondContact OE1-CA 3.35Å; E118-S121 WeakPolarHBondContact OE1-CB 3.5Å; E118-S121 PolarHBondContact OE1-OG 2.84Å; S121-A123 PolarHBondContact O-N 3.22Å; S121-Q322 PolarHBondContact N-O 2.77Å; S121-K323 WeakPolarHBondContact O-CD 3.34Å; S121-K323 WeakPolarHBondContact O-CE 3.47Å; S121-K323 PolarHBondContact O-NZ 2.79Å
122	D	94.5	Very high	93.3	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.2	42.6	176.2	176.4	52	0	0	0	113	G109 L110 T111 K323	G109-D122 WeakPolarHBondContact CA-OD1 3.36Å; L110-D122 PolarHBondContact O-N 3.46Å; T111-D122 PolarHBondContact OG1-N 3.47Å; D122-K323 PolarHBondContact O-NZ 3.44Å; D122-K323 IonicContact OD2-NZ 3.4Å; D122-K323 PolarHBondContact OD2-NZ 3.2Å
123	A	95.9	Very high	93.4	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	164.4	-178.7	0	0	0	0	0	110.8	G109 L110 L120 S121 L324	G109-A123 PolarHBondContact N-O 3.16Å; L110-A123 HydrophobicContact CB-CB 4.24Å; L110-A123 VanDerWaalsContact CB-O 3.28Å; L110-A123 WeakPolarHBondContact CB-O 3.46Å; L110-A123 PolarHBondContact N-O 3.18Å; L110-A123 WeakPolarHBondContact O-CB 3.47Å; L110-A123 PolarHBondContact O-N 3.27Å; L120-A123 HydrophobicContact CB-CB 4.25Å; L120-A123 HydrophobicContact CD2-CB 4.04Å; S121-A123 PolarHBondContact O-N 3.22Å; A123-L324 HydrophobicContact CB-CD1 4.5Å; A123-L324 HydrophobicContact CB-CG 4.34Å
124	R	96	Very high	93.6	Very high	138 Å²	138	48.8 Å²	48.8	52%	0.521	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	168.4	65.1	-177	-177.5	173.3	2.4	109	I107 Y326	I107-R124 CarbonylContact O-C 3.58Å; I107-R124 WeakPolarHBondContact O-CA 3.41Å; R124-Y326 HydrophobicContact CG-CE2 4.12Å; R124-Y326 WeakPolarHBondContact O-CE2 3.2Å; R124-Y326 PolarHBondContact O-OH 3.41Å
125	L	97.2	Very high	94	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.3	171.7	177.4	64.9	0	0	0	108.9	K106 I107 L110 L127 I150 L155 L324 Y326	K106-L125 WeakPolarHBondContact CA-O 3.17Å; I107-L125 HydrophobicContact CB-CB 4.3Å; I107-L125 HydrophobicContact CD1-CD2 4.22Å; I107-L125 PolarHBondContact N-O 3.01Å; I107-L125 PolarHBondContact O-N 2.58Å; L110-L125 HydrophobicContact CD2-CB 3.82Å; L110-L125 HydrophobicContact CD2-CD2 4.38Å; L125-L127 HydrophobicContact CD1-CD1 4.3Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD1-CG 4.04Å; L125-L127 HydrophobicContact CG-CG 4.38Å; L125-I150 HydrophobicContact CD1-CD1 4.49Å; L125-I150 HydrophobicContact CD2-CD1 3.9Å; L125-I150 HydrophobicContact CD2-CG1 4.05Å; L125-L155 HydrophobicContact CD2-CD1 3.75Å; L125-L324 HydrophobicContact CB-CD1 4.37Å; L125-L324 HydrophobicContact CD1-CD1 4.15Å; L125-Y326 VanDerWaalsContact CA-OH 3.29Å; L125-Y326 WeakPolarHBondContact CA-OH 3.3Å
126	E	96.3	Very high	94.6	Very high	48 Å²	48	41.5 Å²	41.5	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.1	175.4	179	172.4	-173.5	0	0	110.3	I105 K106 N128 Y326	I105-E126 WeakPolarHBondContact O-CA 3.33Å; K106-E126 VanDerWaalsContact CE-OE1 3.23Å; K106-E126 WeakPolarHBondContact CE-OE1 3.31Å; K106-E126 HydrophobicContact CG-CG 4.16Å; K106-E126 IonicContact NZ-OE1 3.21Å; K106-E126 PolarHBondContact NZ-OE1 3.34Å; E126-N128 PolarHBondContact OE1-ND2 3.45Å; E126-Y326 HydrophobicContact CB-CE1 4.25Å; E126-Y326 PolarHBondContact N-OH 3.47Å; E126-Y326 WeakPolarHBondContact O-CE1 3.41Å
127	L	97.2	Very high	94.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.4	174.8	-57.5	176.4	0	0	0	108.2	I105 L125 Y133 L270 I298 V300 I317	I105-L127 HydrophobicContact CB-CB 4.29Å; I105-L127 PolarHBondContact N-O 3.19Å; I105-L127 PolarHBondContact O-N 2.82Å; L125-L127 HydrophobicContact CD1-CD1 4.3Å; L125-L127 HydrophobicContact CD1-CD2 4.24Å; L125-L127 HydrophobicContact CD1-CG 4.04Å; L125-L127 HydrophobicContact CG-CG 4.38Å; L127-Y133 HydrophobicContact CB-CE2 4.26Å; L127-Y133 HydrophobicContact CD2-CD2 3.72Å; L127-Y133 HydrophobicContact CD2-CE2 3.84Å; L127-Y133 HydrophobicContact CD2-CG 4.15Å; L127-L270 HydrophobicContact CD1-CD1 4.19Å; L127-L270 HydrophobicContact CD1-CD2 4.3Å; L127-I298 HydrophobicContact CB-CD1 4.29Å; L127-I298 HydrophobicContact CB-CG2 3.96Å; L127-V300 HydrophobicContact CD1-CG2 4.22Å; L127-V300 HydrophobicContact CD2-CG2 3.83Å; L127-I317 HydrophobicContact CD2-CD1 3.97Å
128	N	96.1	Very high	94.7	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.064	19%	0.186	C	C	.	.			trans	-118	145.2	-172.6	-61	-31.5	0	0	0	109.1	D104 E126 R131 Y133	D104-N128 VanDerWaalsContact OD1-CA 3.28Å; D104-N128 WeakPolarHBondContact OD1-CA 3.23Å; E126-N128 PolarHBondContact OE1-ND2 3.45Å; N128-R131 HydrophobicContact CB-CG 4.41Å; N128-R131 PolarHBondContact ND2-NH1 3.31Å; N128-R131 VanDerWaalsContact ND2-NH1 3.14Å; N128-R131 WeakPolarHBondContact O-CB 3.38Å; N128-R131 PolarHBondContact O-N 3.48Å; N128-Y133 PolarHBondContact N-OH 3.11Å
129	W	95.5	Very high	94.3	Very high	89 Å²	89	37.9 Å²	37.9	34%	0.337	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	137.3	-178.8	-171.5	-95.2	0	0	0	112	R103 D104 R131 C269 K296 R297 I298	R103-W129 HydrophobicContact CB-CB 4.07Å; R103-W129 HydrophobicContact CB-CD2 4.28Å; R103-W129 HydrophobicContact CB-CE3 4.22Å; R103-W129 HydrophobicContact CB-CG 4.24Å; D104-W129 PolarHBondContact OD1-N 2.74Å; W129-R131 VanDerWaalsContact C-N 3.26Å; W129-R131 PolarHBondContact O-N 3.09Å; W129-C269 HydrophobicContact CZ3-CB 4.24Å; W129-K296 PolarHBondContact NE1-O 3.31Å; W129-R297 HydrophobicContact CE3-CB 4.37Å; W129-R297 HydrophobicContact CH2-CB 3.64Å; W129-R297 HydrophobicContact CH2-CG 3.42Å; W129-R297 VanDerWaalsContact CH2-CG 3.42Å; W129-R297 HydrophobicContact CZ2-CB 3.98Å; W129-R297 HydrophobicContact CZ2-CG 3.58Å; W129-R297 HydrophobicContact CZ3-CB 3.84Å; W129-R297 HydrophobicContact CZ3-CG 4.15Å; W129-I298 HydrophobicContact CE3-CG1 4.21Å
130	G	94.5	Very high	93.6	Very high	30 Å²	30	40.6 Å²	40.6	31%	0.309	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	2	179.8	0	0	0	0	0	115.4	K296 R297	G130-K296 VanDerWaalsContact CA-O 3.23Å; G130-K296 WeakPolarHBondContact CA-O 3.18Å; G130-R297 WeakPolarHBondContact CA-O 3.4Å; G130-R297 PolarHBondContact N-O 3.23Å
131	R	97.3	Very high	93.1	Very high	100 Å²	100	42 Å²	42	38%	0.377	23%	0.229	S	C	.	.			trans	-99.7	147.5	176.5	-62.3	-171.3	-177.9	177.2	-0.9	111.9	N128 W129 Y133 L299 N315	N128-R131 HydrophobicContact CB-CG 4.41Å; N128-R131 PolarHBondContact ND2-NH1 3.31Å; N128-R131 VanDerWaalsContact ND2-NH1 3.14Å; N128-R131 WeakPolarHBondContact O-CB 3.38Å; N128-R131 PolarHBondContact O-N 3.48Å; W129-R131 VanDerWaalsContact C-N 3.26Å; W129-R131 PolarHBondContact O-N 3.09Å; R131-Y133 HydrophobicContact CB-CD2 4.23Å; R131-Y133 HydrophobicContact CB-CE2 3.57Å; R131-Y133 VanDerWaalsContact CD-OH 3.3Å; R131-Y133 WeakPolarHBondContact CD-OH 3.38Å; R131-L299 PolarHBondContact O-N 2.93Å; R131-N315 WeakPolarHBondContact CD-OD1 3.44Å
132	R	98	Very high	92.8	Very high	41 Å²	41	40.6 Å²	40.6	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.2	178.6	-58.2	178.3	-68	-81.1	0.2	108.2	L292 K293 Y295 L299 V312 C313 T314 N315	R132-L292 WeakPolarHBondContact CD-O 3.31Å; R132-K293 PolarHBondContact NH1-O 2.87Å; R132-K293 PolarHBondContact NH2-O 3.42Å; R132-Y295 PolarHBondContact NH1-O 2.96Å; R132-Y295 VanDerWaalsContact NH1-O 3.16Å; R132-L299 CarbonylContact C-O 3.57Å; R132-L299 WeakPolarHBondContact CA-O 3.43Å; R132-L299 HydrophobicContact CB-CB 4.21Å; R132-L299 HydrophobicContact CB-CD2 4.18Å; R132-L299 HydrophobicContact CG-CB 3.94Å; R132-L299 HydrophobicContact CG-CD2 3.89Å; R132-L299 HydrophobicContact CG-CG 4.47Å; R132-V312 WeakPolarHBondContact CD-O 3.25Å; R132-V312 PolarHBondContact NE-O 3.26Å; R132-C313 CarbonylContact O-C 3.59Å; R132-C313 WeakPolarHBondContact O-CA 3.25Å; R132-T314 PolarHBondContact N-OG1 3.36Å; R132-T314 PolarHBondContact O-N 2.88Å; R132-T314 PolarHBondContact O-OG1 3.23Å; R132-N315 PolarHBondContact O-N 2.9Å; R132-N315 VanDerWaalsContact O-N 3.13Å
133	Y	98.4	Very high	92.7	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123	-171.4	-66.3	-82.3	0	0	0	110.8	L127 N128 R131 I298 L299 V300 I301 N315 I317 Y326	L127-Y133 HydrophobicContact CB-CE2 4.26Å; L127-Y133 HydrophobicContact CD2-CD2 3.72Å; L127-Y133 HydrophobicContact CD2-CE2 3.84Å; L127-Y133 HydrophobicContact CD2-CG 4.15Å; N128-Y133 PolarHBondContact N-OH 3.11Å; R131-Y133 HydrophobicContact CB-CD2 4.23Å; R131-Y133 HydrophobicContact CB-CE2 3.57Å; R131-Y133 VanDerWaalsContact CD-OH 3.3Å; R131-Y133 WeakPolarHBondContact CD-OH 3.38Å; Y133-I298 HydrophobicContact CD2-CG2 4.39Å; Y133-I298 HydrophobicContact CE2-CG2 4.36Å; Y133-L299 PolarHBondContact N-O 2.68Å; Y133-V300 CarbonylContact O-C 3.57Å; Y133-V300 WeakPolarHBondContact O-CA 3.48Å; Y133-I301 PolarHBondContact O-N 2.96Å; Y133-N315 CarbonylContact C-O 3.58Å; Y133-N315 VanDerWaalsContact CA-O 3.31Å; Y133-N315 WeakPolarHBondContact CA-O 3.4Å; Y133-N315 HydrophobicContact CD1-CB 3.44Å; Y133-N315 VanDerWaalsContact CD1-CB 3.44Å; Y133-N315 HydrophobicContact CE1-CB 3.6Å; Y133-N315 HydrophobicContact CG-CB 4.35Å; Y133-I317 HydrophobicContact CD1-CD1 3.7Å; Y133-I317 HydrophobicContact CD1-CG1 3.68Å; Y133-I317 HydrophobicContact CE1-CD1 4.46Å; Y133-I317 HydrophobicContact CG-CD1 3.88Å; Y133-I317 HydrophobicContact CG-CG1 4.22Å; Y133-Y326 HydrophobicContact CE1-CD1 4.41Å; Y133-Y326 HydrophobicContact CE1-CE1 4.48Å
134	G	97.6	Very high	92.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	112.9	165.6	0	0	0	0	0	110	I301 C313 N315 I316 I317	G134-I301 CarbonylContact C-O 3.58Å; G134-I301 WeakPolarHBondContact CA-O 3.46Å; G134-C313 VanDerWaalsContact CA-SG 3.59Å; G134-C313 PolarHBondContact N-SG 2.99Å; G134-N315 PolarHBondContact N-O 3.14Å; G134-I316 CarbonylContact O-C 3.56Å; G134-I316 WeakPolarHBondContact O-CA 3.28Å; G134-I317 PolarHBondContact O-N 3.05Å
135	L	96.6	Very high	92.2	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.5	175.8	177.2	62.4	0	0	0	109.8	K143 L146 L147 V300 I301 V302 I317 L319 L324	L135-K143 HydrophobicContact CD2-CB 4.09Å; L135-K143 HydrophobicContact CG-CB 4.41Å; L135-K143 HydrophobicContact CG-CG 4.38Å; L135-L146 HydrophobicContact CD2-CD2 4.13Å; L135-L147 HydrophobicContact CD2-CD2 4.22Å; L135-V300 HydrophobicContact CB-CG1 4.12Å; L135-I301 PolarHBondContact N-O 3.39Å; L135-V302 HydrophobicContact CB-CG2 3.86Å; L135-V302 HydrophobicContact CD2-CG2 3.83Å; L135-V302 HydrophobicContact CG-CG2 4.03Å; L135-I317 WeakPolarHBondContact CA-O 3.47Å; L135-I317 HydrophobicContact CD1-CB 4.01Å; L135-I317 HydrophobicContact CD1-CG2 3.85Å; L135-L319 HydrophobicContact CD1-CB 4.32Å; L135-L324 HydrophobicContact CD1-CD2 4.43Å
136	I	92.8	Very high	92	Very high	17 Å²	17	33 Å²	33	9%	0.087	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.4	-177.2	65.5	170.2	0	0	0	111.5	L309 I316 I317 H318 L319 Y331 F334	I136-L309 HydrophobicContact CG2-CD1 3.85Å; I136-I316 HydrophobicContact CD1-CG2 3.41Å; I136-I316 VanDerWaalsContact CD1-CG2 3.41Å; I136-I316 HydrophobicContact CG1-CG2 3.65Å; I136-I316 HydrophobicContact CG2-CG2 4.39Å; I136-I317 PolarHBondContact N-O 2.63Å; I136-H318 HydrophobicContact CD1-CB 4.19Å; I136-H318 HydrophobicContact CG1-CB 3.98Å; I136-L319 PolarHBondContact O-N 3.07Å; I136-Y331 HydrophobicContact CD1-CE2 4.16Å; I136-Y331 HydrophobicContact CG2-CD2 4.5Å; I136-Y331 HydrophobicContact CG2-CE2 4.37Å; I136-F334 HydrophobicContact CD1-CD1 3.73Å; I136-F334 HydrophobicContact CD1-CD2 4.47Å; I136-F334 HydrophobicContact CD1-CE1 3.17Å; I136-F334 HydrophobicContact CD1-CE2 4Å; I136-F334 HydrophobicContact CD1-CG 4.36Å; I136-F334 HydrophobicContact CD1-CZ 3.34Å
137	G	88.7	Confident	92	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	18%	0.183	C	C	.	.			trans	161.8	168.2	178	0	0	0	0	0	110.7	K143	G137-K143 PolarHBondContact O-NZ 2.79Å
138	L	82.9	Confident	91.8	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.366	19%	0.189	S	C	.	.			trans	-62.1	161.3	179.6	-64.3	174.7	0	0	0	112.3	G140 C141 K143	L138-G140 PolarHBondContact O-N 3.26Å; L138-C141 PolarHBondContact O-N 3.17Å; L138-C141 PolarHBondContact O-SG 3.39Å; L138-K143 PolarHBondContact O-NZ 2.7Å
139	N	80.4	Confident	91.7	Very high	67 Å²	67	31.6 Å²	31.6	36%	0.358	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	136.4	174	-73.2	-13.8	0	0	0	111.2	C141 K143 H304	N139-C141 VanDerWaalsContact C-N 3.34Å; N139-K143 PolarHBondContact OD1-NZ 2.64Å; N139-H304 PolarHBondContact OD1-NE2 3.47Å
140	G	78.7	Confident	91.7	Very high	77 Å²	77	27.5 Å²	27.5	79%	0.794	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	4.6	-176.4	0	0	0	0	0	115.7	L138 G142	L138-G140 PolarHBondContact O-N 3.26Å; G140-G142 VanDerWaalsContact C-N 3.25Å; G140-G142 PolarHBondContact O-N 3.33Å
141	C	85.5	Confident	91.6	Very high	32 Å²	32	26.9 Å²	26.9	22%	0.216	16%	0.163	C	C	.	.	S	Bend	trans	-76.4	-8.3	178	70.4	0	0	0	0	114.7	L138 N139 L319	L138-C141 PolarHBondContact O-N 3.17Å; L138-C141 PolarHBondContact O-SG 3.39Å; N139-C141 VanDerWaalsContact C-N 3.34Å; C141-L319 HydrophobicContact CB-CD2 4.26Å; C141-L319 HydrophobicContact CB-CG 4.24Å; C141-L319 WeakPolarHBondContact O-CD2 3.23Å; C141-L319 WeakPolarHBondContact SG-CD2 3.29Å
142	G	88.4	Confident	91.3	Very high	6 Å²	6	25.9 Å²	25.9	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	108.7	15.5	176.8	0	0	0	0	0	116.2	G140 T145 L146	G140-G142 VanDerWaalsContact C-N 3.25Å; G140-G142 PolarHBondContact O-N 3.33Å; G142-T145 PolarHBondContact O-N 3.13Å; G142-L146 WeakPolarHBondContact O-CB 3.16Å; G142-L146 PolarHBondContact O-N 3.34Å
143	K	92.3	Very high	90.9	Very high	14 Å²	14	28.3 Å²	28.3	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-59.8	-179.5	-56.4	-173.8	-64.1	-90.5	0	112.5	L135 G137 L138 N139 T145 L146 L147 V302 L319	L135-K143 HydrophobicContact CD2-CB 4.09Å; L135-K143 HydrophobicContact CG-CB 4.41Å; L135-K143 HydrophobicContact CG-CG 4.38Å; G137-K143 PolarHBondContact O-NZ 2.79Å; L138-K143 PolarHBondContact O-NZ 2.7Å; N139-K143 PolarHBondContact OD1-NZ 2.64Å; K143-T145 VanDerWaalsContact C-N 3.3Å; K143-T145 PolarHBondContact O-N 3Å; K143-L146 WeakPolarHBondContact O-CB 3.39Å; K143-L146 PolarHBondContact O-N 3.44Å; K143-L147 PolarHBondContact O-N 2.63Å; K143-L147 VanDerWaalsContact O-N 3.1Å; K143-V302 HydrophobicContact CB-CG2 4.13Å; K143-V302 HydrophobicContact CD-CG1 4.04Å; K143-L319 HydrophobicContact CG-CD2 4.12Å
144	S	89.9	Confident	90.6	Very high	48 Å²	48	30.5 Å²	30.5	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-61.1	-41.3	178.9	-46.5	0	0	0	0	111.1	L146 L147 H148 D274	S144-L146 VanDerWaalsContact C-N 3.31Å; S144-L146 PolarHBondContact O-N 3.3Å; S144-L147 WeakPolarHBondContact O-CB 3.48Å; S144-L147 PolarHBondContact O-N 2.73Å; S144-L147 VanDerWaalsContact O-N 3.08Å; S144-H148 PolarHBondContact O-CD2 3.26Å; S144-H148 VanDerWaalsContact O-CD2 3.25Å; S144-H148 PolarHBondContact O-N 2.92Å; S144-D274 WeakPolarHBondContact CB-OD2 3.5Å; S144-D274 PolarHBondContact OG-OD2 2.79Å
145	T	91.1	Very high	90.3	Very high	23 Å²	23	30.8 Å²	30.8	14%	0.141	19%	0.189	C	C	.	.	H	α-helix	trans	-57.6	-43.2	176.1	-43.9	0	0	0	0	111.9	R90 L112 F114 L119 G142 K143 H148 T149	R90-T145 VanDerWaalsContact CD-CG2 3.49Å; R90-T145 HydrophobicContact CG-CG2 4Å; L112-T145 HydrophobicContact CD1-CG2 4.43Å; L112-T145 HydrophobicContact CD2-CG2 4.14Å; F114-T145 HydrophobicContact CB-CG2 4.13Å; F114-T145 HydrophobicContact CD1-CG2 4.41Å; F114-T145 HydrophobicContact CD2-CG2 4.27Å; F114-T145 HydrophobicContact CG-CG2 4.03Å; L119-T145 HydrophobicContact CD1-CG2 3.69Å; G142-T145 PolarHBondContact O-N 3.13Å; K143-T145 VanDerWaalsContact C-N 3.3Å; K143-T145 PolarHBondContact O-N 3Å; T145-H148 PolarHBondContact O-N 3.31Å; T145-T149 WeakPolarHBondContact O-CB 3.35Å; T145-T149 PolarHBondContact O-N 2.96Å; T145-T149 PolarHBondContact O-OG1 3.15Å
146	L	95	Very high	90.1	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-62.6	-42	175	176.6	61.9	0	0	0	111.7	L110 L112 L120 L135 G142 K143 S144 T149 I150 L324	L110-L146 HydrophobicContact CD2-CD1 4.19Å; L112-L146 HydrophobicContact CD2-CB 4.35Å; L120-L146 HydrophobicContact CD1-CD1 3.87Å; L120-L146 HydrophobicContact CD1-CD2 4.33Å; L135-L146 HydrophobicContact CD2-CD2 4.13Å; G142-L146 WeakPolarHBondContact O-CB 3.16Å; G142-L146 PolarHBondContact O-N 3.34Å; K143-L146 WeakPolarHBondContact O-CB 3.39Å; K143-L146 PolarHBondContact O-N 3.44Å; S144-L146 VanDerWaalsContact C-N 3.31Å; S144-L146 PolarHBondContact O-N 3.3Å; L146-T149 PolarHBondContact O-N 3.05Å; L146-I150 HydrophobicContact CD1-CD1 4.09Å; L146-I150 HydrophobicContact CD1-CG1 4.34Å; L146-I150 HydrophobicContact CG-CD1 4.03Å; L146-I150 VanDerWaalsContact O-CG1 3.26Å; L146-I150 WeakPolarHBondContact O-CG1 3.11Å; L146-I150 PolarHBondContact O-N 2.94Å; L146-L324 HydrophobicContact CD2-CD1 4.2Å; L146-L324 HydrophobicContact CD2-CD2 4.05Å
147	L	95.4	Very high	90.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-44.8	176.4	-63	-175.9	0	0	0	112	L135 K143 S144 I150 A151 L165 L272 D274 V300 V302	L135-L147 HydrophobicContact CD2-CD2 4.22Å; K143-L147 PolarHBondContact O-N 2.63Å; K143-L147 VanDerWaalsContact O-N 3.1Å; S144-L147 WeakPolarHBondContact O-CB 3.48Å; S144-L147 PolarHBondContact O-N 2.73Å; S144-L147 VanDerWaalsContact O-N 3.08Å; L147-I150 PolarHBondContact O-N 3.36Å; L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.29Å; L147-L165 HydrophobicContact CB-CD1 3.93Å; L147-L165 HydrophobicContact CD1-CD1 4.26Å; L147-L272 HydrophobicContact CB-CD1 4.47Å; L147-L272 HydrophobicContact CD2-CB 4.27Å; L147-L272 HydrophobicContact CD2-CD1 4.48Å; L147-L272 HydrophobicContact CD2-CD2 4.15Å; L147-L272 WeakPolarHBondContact O-CD1 3.36Å; L147-D274 HydrophobicContact CD1-CB 3.87Å; L147-V300 HydrophobicContact CD2-CB 4.43Å; L147-V300 HydrophobicContact CD2-CG1 3.85Å; L147-V302 HydrophobicContact CD1-CG2 3.8Å; L147-V302 HydrophobicContact CG-CG2 4.42Å
148	H	93.4	Very high	90.2	Very high	29 Å²	29	33.4 Å²	33.4	13%	0.134	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-42.2	176.1	-81.8	-89.4	0	0	0	112.2	E83 S144 T145 I150 A151 N152 L165	E83-H148 IonicContact OE1-CE1 3.65Å; E83-H148 PolarHBondContact OE1-CE1 3.43Å; E83-H148 VanDerWaalsContact OE1-CE1 3.31Å; E83-H148 IonicContact OE1-ND1 3.83Å; E83-H148 IonicContact OE2-CE1 3.31Å; E83-H148 PolarHBondContact OE2-CE1 3.42Å; E83-H148 IonicContact OE2-ND1 2.74Å; E83-H148 PolarHBondContact OE2-ND1 3.47Å; S144-H148 PolarHBondContact O-CD2 3.26Å; S144-H148 VanDerWaalsContact O-CD2 3.25Å; S144-H148 PolarHBondContact O-N 2.92Å; T145-H148 PolarHBondContact O-N 3.31Å; H148-I150 VanDerWaalsContact C-N 3.31Å; H148-I150 PolarHBondContact O-N 3.12Å; H148-A151 PolarHBondContact O-N 3.34Å; H148-N152 WeakPolarHBondContact O-CB 3.28Å; H148-N152 PolarHBondContact O-N 3.29Å; H148-L165 HydrophobicContact CB-CD2 4.44Å
149	T	93.8	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.3	-40.8	175.2	-79.6	0	0	0	0	112.6	R90 T92 L112 T145 L146 E154 L155	R90-T149 WeakPolarHBondContact CD-OG1 3.34Å; T92-T149 HydrophobicContact CG2-CG2 3.48Å; T92-T149 VanDerWaalsContact CG2-CG2 3.48Å; L112-T149 WeakPolarHBondContact CD1-OG1 3.43Å; T145-T149 WeakPolarHBondContact O-CB 3.35Å; T145-T149 PolarHBondContact O-N 2.96Å; T145-T149 PolarHBondContact O-OG1 3.15Å; L146-T149 PolarHBondContact O-N 3.05Å; T149-E154 WeakPolarHBondContact CA-OE2 3.5Å; T149-E154 WeakPolarHBondContact CB-OE2 3.22Å; T149-E154 HydrophobicContact CG2-CB 4.16Å; T149-E154 WeakPolarHBondContact O-CB 3.32Å; T149-E154 PolarHBondContact O-N 3.43Å; T149-E154 VanDerWaalsContact O-N 3.16Å; T149-E154 PolarHBondContact OG1-OE2 3.04Å; T149-L155 HydrophobicContact CG2-CD1 3.88Å; T149-L155 HydrophobicContact CG2-CD2 3.85Å; T149-L155 HydrophobicContact CG2-CG 3.56Å
150	I	94.6	Very high	90.8	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-48	175	-67.5	166.6	0	0	0	110.2	L125 L146 L147 H148 N152 H153 L155 I157 I163 L270 L272	L125-I150 HydrophobicContact CD1-CD1 4.49Å; L125-I150 HydrophobicContact CD2-CD1 3.9Å; L125-I150 HydrophobicContact CD2-CG1 4.05Å; L146-I150 HydrophobicContact CD1-CD1 4.09Å; L146-I150 HydrophobicContact CD1-CG1 4.34Å; L146-I150 HydrophobicContact CG-CD1 4.03Å; L146-I150 VanDerWaalsContact O-CG1 3.26Å; L146-I150 WeakPolarHBondContact O-CG1 3.11Å; L146-I150 PolarHBondContact O-N 2.94Å; L147-I150 PolarHBondContact O-N 3.36Å; H148-I150 VanDerWaalsContact C-N 3.31Å; H148-I150 PolarHBondContact O-N 3.12Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.45Å; I150-H153 PolarHBondContact O-N 2.85Å; I150-L155 HydrophobicContact CG1-CD1 4.01Å; I150-I157 HydrophobicContact CB-CD1 4.33Å; I150-I157 HydrophobicContact CG2-CD1 3.67Å; I150-I163 HydrophobicContact CG2-CD1 4.38Å; I150-I163 VanDerWaalsContact O-CD1 3.29Å; I150-I163 WeakPolarHBondContact O-CD1 3.36Å; I150-L270 HydrophobicContact CG2-CD2 3.55Å; I150-L272 HydrophobicContact CB-CD1 4.03Å; I150-L272 HydrophobicContact CG2-CD1 3.76Å; I150-L272 HydrophobicContact CG2-CD2 4.39Å
151	A	92.9	Very high	91.3	Very high	18 Å²	18	36.7 Å²	36.7	15%	0.149	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-36.9	-176.1	0	0	0	0	0	113.8	L147 H148 H153 I163 L165 L272	L147-A151 WeakPolarHBondContact O-CB 3.29Å; L147-A151 PolarHBondContact O-N 3.29Å; H148-A151 PolarHBondContact O-N 3.34Å; A151-H153 PolarHBondContact O-CD2 3.05Å; A151-H153 PolarHBondContact O-N 3.02Å; A151-I163 HydrophobicContact CB-CG2 4.42Å; A151-L165 HydrophobicContact CB-CB 3.55Å; A151-L165 HydrophobicContact CB-CD2 3.71Å; A151-L165 HydrophobicContact CB-CG 4.26Å; A151-L272 HydrophobicContact CB-CD1 4.1Å
152	N	90.7	Very high	91.6	Very high	79 Å²	79	39.9 Å²	39.9	42%	0.422	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	8.5	-178.3	-70	-8.3	0	0	0	113.4	R90 H148 I150 E154	R90-N152 PolarHBondContact NH2-ND2 3.25Å; H148-N152 WeakPolarHBondContact O-CB 3.28Å; H148-N152 PolarHBondContact O-N 3.29Å; I150-N152 VanDerWaalsContact C-N 3.35Å; I150-N152 PolarHBondContact O-N 3.45Å; N152-E154 HydrophobicContact CB-CG 3.97Å; N152-E154 PolarHBondContact ND2-OE1 2.8Å; N152-E154 PolarHBondContact O-N 2.73Å; N152-E154 VanDerWaalsContact O-N 3.15Å
153	H	90.6	Very high	91.9	Very high	91 Å²	91	41 Å²	41	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.3	-175.6	-63.9	-97.2	0	0	0	113.2	I150 A151 L155 I163	I150-H153 PolarHBondContact O-N 2.85Å; A151-H153 PolarHBondContact O-CD2 3.05Å; A151-H153 PolarHBondContact O-N 3.02Å; H153-L155 CarbonylContact C-O 3.54Å; H153-L155 PolarHBondContact O-N 3.31Å; H153-I163 VanDerWaalsContact CE1-CD1 3.48Å; H153-I163 WeakPolarHBondContact CE1-CD1 3.22Å
154	E	91.1	Very high	92	Very high	48 Å²	48	42.2 Å²	42.2	22%	0.224	22%	0.219	C	C	.	.			trans	-72.7	-8.9	172.4	-64	168.3	-163.6	0	0	111.6	R90 T92 T149 N152	R90-E154 IonicContact CZ-OE1 2.85Å; R90-E154 VanDerWaalsContact CZ-OE1 3.31Å; R90-E154 IonicContact NE-OE1 2.95Å; R90-E154 PolarHBondContact NE-OE1 3.3Å; R90-E154 IonicContact NE-OE2 3.33Å; R90-E154 PolarHBondContact NE-OE2 2.86Å; R90-E154 IonicContact NH2-OE1 3.19Å; R90-E154 PolarHBondContact NH2-OE1 3.22Å; T92-E154 HydrophobicContact CG2-CB 4.39Å; T92-E154 PolarHBondContact OG1-O 2.96Å; T149-E154 WeakPolarHBondContact CA-OE2 3.5Å; T149-E154 WeakPolarHBondContact CB-OE2 3.22Å; T149-E154 HydrophobicContact CG2-CB 4.16Å; T149-E154 WeakPolarHBondContact O-CB 3.32Å; T149-E154 PolarHBondContact O-N 3.43Å; T149-E154 VanDerWaalsContact O-N 3.16Å; T149-E154 PolarHBondContact OG1-OE2 3.04Å; N152-E154 HydrophobicContact CB-CG 3.97Å; N152-E154 PolarHBondContact ND2-OE1 2.8Å; N152-E154 PolarHBondContact O-N 2.73Å; N152-E154 VanDerWaalsContact O-N 3.15Å
155	L	92.5	Very high	92.3	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.21	C	C	.	.	S	Bend	trans	-108.3	154.5	169.8	-60	-176.7	0	0	0	109.6	T92 I107 L110 L125 T149 I150 H153 I157	T92-L155 HydrophobicContact CG2-CD2 4.27Å; I107-L155 HydrophobicContact CD1-CB 3.88Å; I107-L155 HydrophobicContact CD1-CD1 4.09Å; L110-L155 HydrophobicContact CD1-CD1 4.02Å; L110-L155 HydrophobicContact CD1-CD2 3.37Å; L110-L155 HydrophobicContact CD1-CG 4.36Å; L110-L155 HydrophobicContact CD2-CD1 4.47Å; L125-L155 HydrophobicContact CD2-CD1 3.75Å; T149-L155 HydrophobicContact CG2-CD1 3.88Å; T149-L155 HydrophobicContact CG2-CD2 3.85Å; T149-L155 HydrophobicContact CG2-CG 3.56Å; I150-L155 HydrophobicContact CG1-CD1 4.01Å; H153-L155 CarbonylContact C-O 3.54Å; H153-L155 PolarHBondContact O-N 3.31Å; L155-I157 HydrophobicContact CB-CD1 4.36Å; L155-I157 HydrophobicContact CB-CG1 4.18Å; L155-I157 PolarHBondContact O-N 3.42Å
156	P	91.8	Very high	92.3	Very high	58 Å²	58	40.5 Å²	40.5	38%	0.377	21%	0.205	S	C	.	.			trans	-73	61	-179	32.6	-38.2	0	0	0	112.1	L96	L96-P156 HydrophobicContact CB-CB 4.14Å; L96-P156 HydrophobicContact CB-CG 3.97Å; L96-P156 WeakPolarHBondContact CD1-O 3.28Å
157	I	92.3	Very high	91.7	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	22%	0.221	C	C	.	.			trans	-83.7	129.5	176.1	-60.2	169.9	0	0	0	108	I105 I107 I150 L155 F161 I163	I105-I157 HydrophobicContact CD1-CG2 3.85Å; I105-I157 HydrophobicContact CG1-CG2 4.48Å; I105-I157 HydrophobicContact CG2-CG1 4.4Å; I107-I157 HydrophobicContact CD1-CG1 4.26Å; I150-I157 HydrophobicContact CB-CD1 4.33Å; I150-I157 HydrophobicContact CG2-CD1 3.67Å; L155-I157 HydrophobicContact CB-CD1 4.36Å; L155-I157 HydrophobicContact CB-CG1 4.18Å; L155-I157 PolarHBondContact O-N 3.42Å; I157-F161 HydrophobicContact CG2-CB 3.91Å; I157-F161 HydrophobicContact CG2-CD2 4.12Å; I157-F161 HydrophobicContact CG2-CG 4.12Å; I157-I163 HydrophobicContact CB-CD1 4.47Å; I157-I163 HydrophobicContact CD1-CD1 3.75Å; I157-I163 HydrophobicContact CG2-CD1 4.03Å
158	P	91	Very high	91.1	Very high	17 Å²	17	47.2 Å²	47.2	11%	0.11	24%	0.238	C	C	.	.			trans	-58	144.5	-178.9	-25	33.6	0	0	0	113.6	L96 P100 H160 F161	L96-P158 HydrophobicContact CD2-CG 3.93Å; P100-P158 WeakPolarHBondContact O-CB 3.44Å; P158-H160 WeakPolarHBondContact CB-CE1 3.19Å; P158-H160 WeakPolarHBondContact CB-ND1 3.43Å; P158-H160 PolarHBondContact O-N 3.03Å; P158-H160 VanDerWaalsContact O-N 3.12Å; P158-F161 HydrophobicContact CB-CD2 3.98Å; P158-F161 HydrophobicContact CB-CE2 4.26Å; P158-F161 HydrophobicContact CG-CD2 4.14Å; P158-F161 HydrophobicContact CG-CE2 4.05Å; P158-F161 PolarHBondContact O-N 2.91Å
159	E	87.8	Confident	90.7	Very high	188 Å²	188	49.5 Å²	49.5	88%	0.879	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.7	-174.8	-64.3	179.8	175.2	0	0	114.3	F161	E159-F161 PolarHBondContact O-N 3.07Å
160	H	88	Confident	90.5	Very high	91 Å²	91	50 Å²	50	42%	0.421	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.8	177.6	71.4	-91.3	0	0	0	113.7	P100 S102 P158 D162	P100-H160 PolarHBondContact O-CE1 3.31Å; S102-H160 PolarHBondContact O-CE1 3.4Å; S102-H160 PolarHBondContact O-NE2 2.94Å; P158-H160 WeakPolarHBondContact CB-CE1 3.19Å; P158-H160 WeakPolarHBondContact CB-ND1 3.43Å; P158-H160 PolarHBondContact O-N 3.03Å; P158-H160 VanDerWaalsContact O-N 3.12Å; H160-D162 PolarHBondContact O-N 2.98Å
161	F	90.1	Very high	90.1	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.018	27%	0.266	C	S	.	.			trans	-86.2	106.6	171.9	-78.2	-92.6	0	0	0	110.2	S102 R103 I105 I157 P158 E159 I163 C269 I298	S102-F161 WeakPolarHBondContact O-CE2 3.33Å; R103-F161 WeakPolarHBondContact O-CZ 3.42Å; I105-F161 HydrophobicContact CD1-CD1 3.89Å; I105-F161 HydrophobicContact CD1-CD2 4.5Å; I105-F161 HydrophobicContact CD1-CE1 3.81Å; I105-F161 HydrophobicContact CD1-CE2 4.42Å; I105-F161 HydrophobicContact CD1-CG 4.23Å; I105-F161 HydrophobicContact CD1-CZ 4.07Å; I105-F161 HydrophobicContact CG1-CD1 4.28Å; I105-F161 HydrophobicContact CG1-CD2 4.41Å; I105-F161 HydrophobicContact CG1-CE1 3.75Å; I105-F161 HydrophobicContact CG1-CE2 3.89Å; I105-F161 HydrophobicContact CG1-CZ 3.53Å; I157-F161 HydrophobicContact CG2-CB 3.91Å; I157-F161 HydrophobicContact CG2-CD2 4.12Å; I157-F161 HydrophobicContact CG2-CG 4.12Å; P158-F161 HydrophobicContact CB-CD2 3.98Å; P158-F161 HydrophobicContact CB-CE2 4.26Å; P158-F161 HydrophobicContact CG-CD2 4.14Å; P158-F161 HydrophobicContact CG-CE2 4.05Å; P158-F161 PolarHBondContact O-N 2.91Å; E159-F161 PolarHBondContact O-N 3.07Å; F161-I163 HydrophobicContact CB-CG1 4.42Å; F161-I163 PolarHBondContact O-N 3.14Å; F161-C269 HydrophobicContact CD1-CB 4.11Å; F161-I298 HydrophobicContact CE1-CD1 3.91Å
162	D	90.8	Very high	89.9	Confident	99 Å²	99	53 Å²	53	53%	0.529	27%	0.272	S	S	.	.			trans	-69.2	117.8	163.4	-49	-45.4	0	0	0	108.8	H160 P268 C269 L270	H160-D162 PolarHBondContact O-N 2.98Å; D162-P268 HydrophobicContact CB-CB 4.33Å; D162-P268 WeakPolarHBondContact O-CB 3.43Å; D162-C269 PolarHBondContact O-N 3.28Å; D162-L270 PolarHBondContact O-N 3.21Å
163	I	94.6	Very high	89.9	Confident	30 Å²	30	52.7 Å²	52.7	15%	0.154	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	177.6	-47.2	178.3	0	0	0	108.8	I150 A151 H153 I157 F161 L270 L272	I150-I163 HydrophobicContact CG2-CD1 4.38Å; I150-I163 VanDerWaalsContact O-CD1 3.29Å; I150-I163 WeakPolarHBondContact O-CD1 3.36Å; A151-I163 HydrophobicContact CB-CG2 4.42Å; H153-I163 VanDerWaalsContact CE1-CD1 3.48Å; H153-I163 WeakPolarHBondContact CE1-CD1 3.22Å; I157-I163 HydrophobicContact CB-CD1 4.47Å; I157-I163 HydrophobicContact CD1-CD1 3.75Å; I157-I163 HydrophobicContact CG2-CD1 4.03Å; F161-I163 HydrophobicContact CB-CG1 4.42Å; F161-I163 PolarHBondContact O-N 3.14Å; I163-L270 WeakPolarHBondContact CA-O 3.37Å; I163-L270 HydrophobicContact CD1-CD2 4.2Å; I163-L270 HydrophobicContact CG1-CB 4.23Å; I163-L270 HydrophobicContact CG1-CD2 4.14Å; I163-L270 HydrophobicContact CG2-CB 4.29Å; I163-L270 HydrophobicContact CG2-CD2 4.04Å; I163-L270 HydrophobicContact CG2-CG 4.06Å; I163-L272 HydrophobicContact CG2-CD1 3.89Å; I163-L272 HydrophobicContact CG2-CG 4.23Å
164	Y	94.7	Very high	89.9	Confident	39 Å²	39	55.2 Å²	55.2	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.4	170.4	-163	-86.4	0	0	0	109.7	V184 A263 L266 L270 L271 L272	Y164-V184 HydrophobicContact CE2-CG2 4.01Å; Y164-A263 HydrophobicContact CD1-CB 3.6Å; Y164-A263 HydrophobicContact CE1-CB 3.42Å; Y164-A263 VanDerWaalsContact CE1-CB 3.42Å; Y164-L266 HydrophobicContact CD2-CD2 3.59Å; Y164-L266 HydrophobicContact CE2-CD2 4.1Å; Y164-L266 HydrophobicContact CG-CD2 4.4Å; Y164-L270 PolarHBondContact N-O 2.78Å; Y164-L271 HydrophobicContact CD1-CD1 4.2Å; Y164-L272 PolarHBondContact O-N 3.4Å
165	L	95.3	Very high	90	Very high	29 Å²	29	58 Å²	58	15%	0.152	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.3	171	174.3	61.5	0	0	0	109.8	L147 H148 A151 S167 L272	L147-L165 HydrophobicContact CB-CD1 3.93Å; L147-L165 HydrophobicContact CD1-CD1 4.26Å; H148-L165 HydrophobicContact CB-CD2 4.44Å; A151-L165 HydrophobicContact CB-CB 3.55Å; A151-L165 HydrophobicContact CB-CD2 3.71Å; A151-L165 HydrophobicContact CB-CG 4.26Å; L165-S167 PolarHBondContact O-N 2.84Å; L165-L272 HydrophobicContact CB-CB 4.33Å; L165-L272 HydrophobicContact CB-CD1 4.41Å; L165-L272 HydrophobicContact CD1-CB 3.64Å; L165-L272 HydrophobicContact CD1-CD1 4.41Å
166	L	92.4	Very high	90.2	Very high	6 Å²	6	58.6 Å²	58.6	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	96.2	167.1	-178.6	68.9	0	0	0	109.2	M256 S259 L260 L272 L273	L166-M256 HydrophobicContact CD1-SD 4.35Å; L166-S259 VanDerWaalsContact CD1-C 3.47Å; L166-S259 WeakPolarHBondContact CD1-OG 3.43Å; L166-L260 HydrophobicContact CD2-CB 3.77Å; L166-L260 HydrophobicContact CD2-CD1 3.52Å; L166-L260 HydrophobicContact CD2-CG 4.21Å; L166-L272 PolarHBondContact N-O 2.88Å; L166-L273 HydrophobicContact CB-CD2 3.58Å; L166-L273 HydrophobicContact CD2-CD2 3.76Å; L166-L273 HydrophobicContact CG-CD2 4.33Å
167	S	81.9	Confident	90.3	Very high	51 Å²	51	55.8 Å²	55.8	36%	0.357	28%	0.279	S	S	.	.			trans	-120.2	-15.6	175.9	56.5	0	0	0	0	114	L165	L165-S167 PolarHBondContact O-N 2.84Å
168	R	83.1	Confident	90.4	Very high	95 Å²	95	55.4 Å²	55.4	36%	0.358	28%	0.277	S	S	.	.	S	Bend	trans	-129.6	150.3	-172.5	-59.4	-174.3	-169.2	173.1	7.5	112.8	E83 S259	E83-R168 IonicContact OE1-CZ 3.54Å; E83-R168 IonicContact OE1-NE 3.68Å; E83-R168 IonicContact OE1-NH2 3.41Å; E83-R168 PolarHBondContact OE1-NH2 2.77Å; R168-S259 VanDerWaalsContact O-CB 3.23Å; R168-S259 WeakPolarHBondContact O-CB 3.34Å; R168-S259 PolarHBondContact O-OG 3.44Å
169	E	84.9	Confident	90.6	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-68.3	153.6	167.5	59.3	174.3	-134.2	0	0	111.4	G252 R255 M256	E169-G252 VanDerWaalsContact OE2-C 3.3Å; E169-G252 WeakPolarHBondContact OE2-CA 3.47Å; E169-R255 HydrophobicContact CB-CB 4.07Å; E169-R255 IonicContact OE1-CZ 3.86Å; E169-R255 IonicContact OE1-NE 3.85Å; E169-R255 PolarHBondContact OE1-NE 3.01Å; E169-R255 IonicContact OE1-NH2 2.73Å; E169-R255 PolarHBondContact OE1-NH2 2.96Å; E169-M256 HydrophobicContact CB-CB 4.23Å; E169-M256 HydrophobicContact CB-CE 4.08Å; E169-M256 VanDerWaalsContact N-CE 3.34Å
170	M	88.8	Confident	90.8	Very high	11 Å²	11	49 Å²	49	5%	0.054	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.4	133.8	172	-176	65.9	-165.4	0	0	109.6	I173 A180 C247 R255 I258 R262	M170-I173 HydrophobicContact CE-CD1 3.98Å; M170-A180 HydrophobicContact CE-CB 3.72Å; M170-A180 HydrophobicContact SD-CB 4.33Å; M170-C247 HydrophobicContact CG-CB 4.37Å; M170-R255 HydrophobicContact CB-CB 4.03Å; M170-R255 VanDerWaalsContact CB-O 3.22Å; M170-R255 WeakPolarHBondContact CB-O 3.46Å; M170-R255 PolarHBondContact N-O 3.13Å; M170-R255 WeakPolarHBondContact O-CB 3.33Å; M170-R255 WeakPolarHBondContact O-CD 3.37Å; M170-R255 PolarHBondContact O-NE 3.45Å; M170-I258 HydrophobicContact CB-CB 4.04Å; M170-I258 HydrophobicContact CB-CG2 4.14Å; M170-I258 HydrophobicContact CG-CB 4.39Å; M170-I258 HydrophobicContact CG-CG2 3.99Å; M170-R262 PolarHBondContact SD-NH1 3.01Å
171	P	86.9	Confident	91.1	Very high	49 Å²	49	44.7 Å²	44.7	32%	0.318	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-62.1	154.1	175.1	-20.8	31.6	0	0	0	111.9	I76 I173	I76-P171 HydrophobicContact CD1-CB 4.31Å; P171-I173 VanDerWaalsContact C-N 3.27Å; P171-I173 HydrophobicContact CB-CD1 4.04Å; P171-I173 HydrophobicContact CB-CG1 3.94Å; P171-I173 HydrophobicContact CG-CD1 4.45Å; P171-I173 PolarHBondContact O-N 3.43Å
172	A	88.3	Confident	91.2	Very high	34 Å²	34	45.4 Å²	45.4	28%	0.281	23%	0.232	S	C	.	.			trans	-75	75.9	180	0	0	0	0	0	111.1	K248	A172-K248 HydrophobicContact CB-CB 4.05Å
173	I	90.7	Very high	91.1	Very high	72 Å²	72	42.1 Å²	42.1	37%	0.369	21%	0.214	S	C	.	.			trans	-104.2	158.4	-176.5	-51.7	176.1	0	0	0	110.7	M170 P171 K175 C247 K248	M170-I173 HydrophobicContact CE-CD1 3.98Å; P171-I173 VanDerWaalsContact C-N 3.27Å; P171-I173 HydrophobicContact CB-CD1 4.04Å; P171-I173 HydrophobicContact CB-CG1 3.94Å; P171-I173 HydrophobicContact CG-CD1 4.45Å; P171-I173 PolarHBondContact O-N 3.43Å; I173-K175 HydrophobicContact CG2-CB 4.49Å; I173-K175 HydrophobicContact CG2-CG 4.22Å; I173-K175 PolarHBondContact O-N 3.41Å; I173-C247 CarbonylContact O-C 3.53Å; I173-C247 WeakPolarHBondContact O-CA 3.34Å; I173-C247 WeakPolarHBondContact O-CB 3.34Å; I173-C247 PolarHBondContact O-N 3.49Å; I173-C247 VanDerWaalsContact O-N 3.13Å; I173-K248 PolarHBondContact O-N 2.89Å
174	E	92	Very high	90.8	Very high	145 Å²	145	41.4 Å²	41.4	68%	0.678	21%	0.211	S	C	*	.	S	Bend	trans	-70.9	-11.7	178.1	-51.2	-151.9	129.6	0	0	115	P246 K248	E174-P246 VanDerWaalsContact O-CB 3.28Å; E174-P246 WeakPolarHBondContact O-CB 2.97Å; E174-K248 HydrophobicContact CG-CD 4.24Å; E174-K248 IonicContact OE1-NZ 3.25Å; E174-K248 PolarHBondContact OE1-NZ 2.8Å
175	K	92.4	Very high	90.4	Very high	107 Å²	107	40.7 Å²	40.7	47%	0.465	21%	0.21	S	C	.	.	S	Bend	trans	-68.5	144	178.9	-67.6	-172.9	174.5	-175.2	0	111.1	I173 D183 P246 C247	I173-K175 HydrophobicContact CG2-CB 4.49Å; I173-K175 HydrophobicContact CG2-CG 4.22Å; I173-K175 PolarHBondContact O-N 3.41Å; K175-D183 WeakPolarHBondContact CD-OD2 3.2Å; K175-D183 WeakPolarHBondContact CE-OD2 3.35Å; K175-D183 IonicContact NZ-OD2 3.31Å; K175-D183 PolarHBondContact NZ-OD2 3Å; K175-P246 CarbonylContact O-C 3.58Å; K175-P246 WeakPolarHBondContact O-CA 3.38Å; K175-C247 PolarHBondContact O-N 3.18Å; K175-C247 PolarHBondContact O-SG 2.83Å
176	S	95.8	Very high	90	Very high	16 Å²	16	45.4 Å²	45.4	11%	0.112	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-61	154.1	173.9	62.7	0	0	0	0	111.5	I178 N179 A180 R245	S176-I178 VanDerWaalsContact C-N 3.29Å; S176-I178 PolarHBondContact O-N 3.35Å; S176-N179 PolarHBondContact O-N 3.07Å; S176-N179 WeakPolarHBondContact OG-CB 3.28Å; S176-N179 PolarHBondContact OG-N 2.9Å; S176-N179 PolarHBondContact OG-ND2 2.89Å; S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 3.33Å; S176-R245 WeakPolarHBondContact CA-O 2.88Å
177	A	94.2	Very high	89.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.1	-41.8	179.3	0	0	0	0	0	112.3	A180 V181 L233 F238 M243 R245 F250 I258	A177-A180 PolarHBondContact O-N 2.86Å; A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.17Å; A177-V181 VanDerWaalsContact O-N 3.1Å; A177-L233 HydrophobicContact CB-CD1 4.47Å; A177-F238 HydrophobicContact CB-CD1 4.4Å; A177-F238 HydrophobicContact CB-CE1 4.11Å; A177-M243 PolarHBondContact N-O 3Å; A177-R245 PolarHBondContact N-O 3.2Å; A177-R245 VanDerWaalsContact N-O 3.1Å; A177-F250 HydrophobicContact CB-CE2 4.08Å; A177-F250 HydrophobicContact CB-CZ 4.47Å; A177-I258 HydrophobicContact CB-CD1 3.7Å; A177-I258 HydrophobicContact CB-CG1 4.15Å
178	I	95.3	Very high	90.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.9	-165.7	167.7	0	0	0	112.7	S176 V181 M182 E226 A229 A230 L233 M243	S176-I178 VanDerWaalsContact C-N 3.29Å; S176-I178 PolarHBondContact O-N 3.35Å; I178-V181 WeakPolarHBondContact O-CB 3.41Å; I178-V181 PolarHBondContact O-N 3.22Å; I178-M182 HydrophobicContact CG1-CE 4.3Å; I178-M182 WeakPolarHBondContact O-CG 3.28Å; I178-M182 PolarHBondContact O-N 3.42Å; I178-E226 HydrophobicContact CD1-CG 3.6Å; I178-E226 HydrophobicContact CG1-CG 4.4Å; I178-A229 HydrophobicContact CG1-CB 3.99Å; I178-A230 HydrophobicContact CD1-CB 3.96Å; I178-L233 HydrophobicContact CB-CD1 4.03Å; I178-L233 HydrophobicContact CG1-CD1 4.34Å; I178-M243 HydrophobicContact CB-CB 4.38Å; I178-M243 PolarHBondContact N-O 3.19Å
179	N	94.4	Very high	90.3	Very high	69 Å²	69	44.8 Å²	44.8	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-38.9	177.9	-69.2	-10.8	0	0	0	110.8	S176 V181 M182 D183	S176-N179 PolarHBondContact O-N 3.07Å; S176-N179 WeakPolarHBondContact OG-CB 3.28Å; S176-N179 PolarHBondContact OG-N 2.9Å; S176-N179 PolarHBondContact OG-ND2 2.89Å; N179-V181 PolarHBondContact O-N 3.17Å; N179-M182 PolarHBondContact O-N 3.4Å; N179-M182 WeakPolarHBondContact OD1-CE 3.32Å; N179-D183 VanDerWaalsContact O-CB 3.24Å; N179-D183 WeakPolarHBondContact O-CB 3.23Å; N179-D183 PolarHBondContact O-N 3.04Å
180	A	93	Very high	90.6	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-33.3	173.9	0	0	0	0	0	112.9	M170 S176 A177 C247 I258 R262	M170-A180 HydrophobicContact CE-CB 3.72Å; M170-A180 HydrophobicContact SD-CB 4.33Å; S176-A180 WeakPolarHBondContact O-CB 3.47Å; S176-A180 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 2.86Å; A180-C247 VanDerWaalsContact CB-SG 3.52Å; A180-I258 HydrophobicContact CB-CG2 4.05Å; A180-R262 VanDerWaalsContact O-CD 3.31Å; A180-R262 WeakPolarHBondContact O-CD 3.3Å; A180-R262 WeakPolarHBondContact O-CG 3.22Å; A180-R262 PolarHBondContact O-NE 3.15Å
181	V	94.1	Very high	90.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-52.5	172.6	175.4	0	0	0	0	111.3	A177 I178 N179 D183 V184 A229 L233 I258 A261 R262 F265	A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.17Å; A177-V181 VanDerWaalsContact O-N 3.1Å; I178-V181 WeakPolarHBondContact O-CB 3.41Å; I178-V181 PolarHBondContact O-N 3.22Å; N179-V181 PolarHBondContact O-N 3.17Å; V181-D183 VanDerWaalsContact C-N 3.27Å; V181-D183 PolarHBondContact O-N 3.17Å; V181-V184 WeakPolarHBondContact O-CG1 3.47Å; V181-V184 PolarHBondContact O-N 3.31Å; V181-A229 HydrophobicContact CB-CB 4.22Å; V181-A229 HydrophobicContact CG1-CB 3.82Å; V181-L233 HydrophobicContact CG2-CD1 4.03Å; V181-L233 HydrophobicContact CG2-CD2 3.92Å; V181-L233 HydrophobicContact CG2-CG 4.05Å; V181-I258 HydrophobicContact CG2-CG2 4.13Å; V181-A261 HydrophobicContact CG1-CB 4.39Å; V181-A261 HydrophobicContact CG2-CB 3.56Å; V181-R262 HydrophobicContact CB-CG 4.44Å; V181-R262 HydrophobicContact CG2-CG 4.27Å; V181-F265 HydrophobicContact CG1-CB 3.62Å; V181-F265 HydrophobicContact CG1-CD1 4.36Å; V181-F265 HydrophobicContact CG1-CD2 4.17Å; V181-F265 HydrophobicContact CG1-CG 3.8Å
182	M	92	Very high	90.8	Very high	18 Å²	18	50 Å²	50	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-27.8	-177.1	-66.1	-172.3	-65.3	0	0	113.9	I178 N179 V184 D185 R188 A225 E226 A229 F265	I178-M182 HydrophobicContact CG1-CE 4.3Å; I178-M182 WeakPolarHBondContact O-CG 3.28Å; I178-M182 PolarHBondContact O-N 3.42Å; N179-M182 PolarHBondContact O-N 3.4Å; N179-M182 WeakPolarHBondContact OD1-CE 3.32Å; M182-V184 PolarHBondContact O-N 2.95Å; M182-D185 PolarHBondContact O-N 3.38Å; M182-R188 PolarHBondContact O-NH2 2.89Å; M182-A225 HydrophobicContact SD-CB 4.43Å; M182-E226 HydrophobicContact CE-CG 4.39Å; M182-E226 WeakPolarHBondContact SD-CA 3.19Å; M182-E226 HydrophobicContact SD-CB 3.78Å; M182-E226 HydrophobicContact SD-CG 4.19Å; M182-A229 HydrophobicContact CG-CB 3.69Å; M182-F265 HydrophobicContact CG-CZ 4.44Å
183	D	89.2	Confident	90.8	Very high	30 Å²	30	55.5 Å²	55.5	16%	0.16	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.9	-177.7	-77.5	-10.6	0	0	0	113.6	K175 N179 V181 D185 Q186 L189	K175-D183 WeakPolarHBondContact CD-OD2 3.2Å; K175-D183 WeakPolarHBondContact CE-OD2 3.35Å; K175-D183 IonicContact NZ-OD2 3.31Å; K175-D183 PolarHBondContact NZ-OD2 3Å; N179-D183 VanDerWaalsContact O-CB 3.24Å; N179-D183 WeakPolarHBondContact O-CB 3.23Å; N179-D183 PolarHBondContact O-N 3.04Å; V181-D183 VanDerWaalsContact C-N 3.27Å; V181-D183 PolarHBondContact O-N 3.17Å; D183-D185 PolarHBondContact O-N 3.44Å; D183-Q186 PolarHBondContact O-NE2 2.79Å; D183-L189 HydrophobicContact CB-CD1 4.37Å
184	V	86.3	Confident	90.7	Very high	16 Å²	16	55 Å²	55	10%	0.097	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.2	175.3	79.5	0	0	0	0	112	Y164 V181 M182 Q186 R262 F265 L266	Y164-V184 HydrophobicContact CE2-CG2 4.01Å; V181-V184 WeakPolarHBondContact O-CG1 3.47Å; V181-V184 PolarHBondContact O-N 3.31Å; M182-V184 PolarHBondContact O-N 2.95Å; V184-Q186 PolarHBondContact O-N 3.01Å; V184-R262 HydrophobicContact CB-CB 4.2Å; V184-R262 HydrophobicContact CB-CG 4.3Å; V184-R262 HydrophobicContact CG1-CB 4.29Å; V184-R262 HydrophobicContact CG2-CB 4.26Å; V184-F265 HydrophobicContact CG1-CD1 3.86Å; V184-L266 HydrophobicContact CG1-CB 4.08Å; V184-L266 HydrophobicContact CG1-CD1 4.48Å; V184-L266 HydrophobicContact CG2-CD2 4.41Å
185	D	87.4	Confident	90.6	Very high	23 Å²	23	48.3 Å²	48.3	12%	0.123	22%	0.219	C	C	.	.			trans	-82.2	83.2	178.8	-170.2	-14.5	0	0	0	110.4	M182 D183 E187 R188 L189 F265	M182-D185 PolarHBondContact O-N 3.38Å; D183-D185 PolarHBondContact O-N 3.44Å; D185-E187 VanDerWaalsContact C-N 3.28Å; D185-E187 PolarHBondContact O-N 2.85Å; D185-E187 PolarHBondContact OD1-N 2.83Å; D185-R188 HydrophobicContact CB-CB 4.04Å; D185-R188 PolarHBondContact O-N 3.16Å; D185-R188 WeakPolarHBondContact OD1-CB 3.49Å; D185-R188 PolarHBondContact OD1-N 3.12Å; D185-R188 WeakPolarHBondContact OD2-CB 3.48Å; D185-L189 PolarHBondContact O-N 3.31Å; D185-L189 VanDerWaalsContact O-N 3.13Å; D185-F265 HydrophobicContact CB-CE1 3.97Å
186	Q	86.3	Confident	90.4	Very high	128 Å²	128	49.4 Å²	49.4	60%	0.598	23%	0.226	S	C	*	.	H	α-helix	trans	-66	-30.6	-178.7	-65.3	-62.3	-51.4	0	0	112.5	D183 V184 R190	D183-Q186 PolarHBondContact O-NE2 2.79Å; V184-Q186 PolarHBondContact O-N 3.01Å; Q186-R190 VanDerWaalsContact O-CB 3.31Å; Q186-R190 WeakPolarHBondContact O-CB 3.2Å; Q186-R190 PolarHBondContact O-N 3.07Å
187	E	86.8	Confident	90	Very high	85 Å²	85	54.7 Å²	54.7	40%	0.397	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-50.3	176	-174.8	-179.3	-179.6	0	0	109.9	D185 L189 R190 L191 R216	D185-E187 VanDerWaalsContact C-N 3.28Å; D185-E187 PolarHBondContact O-N 2.85Å; D185-E187 PolarHBondContact OD1-N 2.83Å; E187-L189 PolarHBondContact O-N 3.04Å; E187-R190 PolarHBondContact O-N 2.84Å; E187-L191 HydrophobicContact CG-CD1 3.9Å; E187-L191 HydrophobicContact CG-CG 4.45Å; E187-L191 WeakPolarHBondContact O-CB 3.49Å; E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 3.15Å; E187-R216 IonicContact OE1-CZ 3.74Å; E187-R216 IonicContact OE1-NE 3.09Å; E187-R216 PolarHBondContact OE1-NE 3.36Å; E187-R216 IonicContact OE1-NH2 3.52Å; E187-R216 PolarHBondContact OE1-NH2 2.84Å; E187-R216 IonicContact OE2-NH2 3.45Å; E187-R216 PolarHBondContact OE2-NH2 3.07Å
188	R	89.7	Confident	89.7	Confident	17 Å²	17	56 Å²	56	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-55.8	-49	175.6	-176.4	-171.6	66.4	76.8	7.8	111.9	M182 D185 R190 L191 E192 L217 I220 A222	M182-R188 PolarHBondContact O-NH2 2.89Å; D185-R188 HydrophobicContact CB-CB 4.04Å; D185-R188 PolarHBondContact O-N 3.16Å; D185-R188 WeakPolarHBondContact OD1-CB 3.49Å; D185-R188 PolarHBondContact OD1-N 3.12Å; D185-R188 WeakPolarHBondContact OD2-CB 3.48Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.24Å; R188-L191 PolarHBondContact O-N 2.75Å; R188-E192 HydrophobicContact CG-CG 4.42Å; R188-E192 WeakPolarHBondContact CG-OE1 3.31Å; R188-E192 IonicContact CZ-OE1 2.7Å; R188-E192 IonicContact CZ-OE2 3.83Å; R188-E192 IonicContact NH1-OE1 3.1Å; R188-E192 PolarHBondContact NH1-OE1 3.27Å; R188-E192 IonicContact NH1-OE2 2.79Å; R188-E192 PolarHBondContact NH1-OE2 2.91Å; R188-E192 WeakPolarHBondContact O-CB 3.41Å; R188-E192 VanDerWaalsContact O-CG 3.32Å; R188-E192 WeakPolarHBondContact O-CG 3.23Å; R188-E192 PolarHBondContact O-N 3.43Å; R188-L217 HydrophobicContact CG-CD2 4.39Å; R188-I220 HydrophobicContact CB-CD1 3.78Å; R188-I220 HydrophobicContact CG-CD1 4.17Å; R188-A222 HydrophobicContact CG-CB 3.92Å
189	L	88.1	Confident	89.1	Confident	38 Å²	38	57.3 Å²	57.3	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-40.1	179.9	-74.8	177.5	0	0	0	112.7	D183 D185 E187 R193	D183-L189 HydrophobicContact CB-CD1 4.37Å; D185-L189 PolarHBondContact O-N 3.31Å; D185-L189 VanDerWaalsContact O-N 3.13Å; E187-L189 PolarHBondContact O-N 3.04Å; L189-R193 WeakPolarHBondContact O-CB 3.45Å; L189-R193 PolarHBondContact O-N 2.9Å; L189-R193 VanDerWaalsContact O-N 3.12Å
190	R	90.2	Very high	88.6	Confident	172 Å²	172	61 Å²	61	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-64	-49.5	176.9	178.1	-175.7	168	179.6	-1.8	110.7	Q186 E187 R188 E192 R193 E194	Q186-R190 VanDerWaalsContact O-CB 3.31Å; Q186-R190 WeakPolarHBondContact O-CB 3.2Å; Q186-R190 PolarHBondContact O-N 3.07Å; E187-R190 PolarHBondContact O-N 2.84Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.24Å; R190-E192 VanDerWaalsContact C-N 3.35Å; R190-E192 PolarHBondContact O-N 3.03Å; R190-R193 PolarHBondContact O-N 2.85Å; R190-E194 WeakPolarHBondContact O-CB 3.2Å; R190-E194 PolarHBondContact O-N 3.32Å
191	L	90.1	Very high	88.2	Confident	20 Å²	20	62.9 Å²	62.9	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-38	-179.6	-70.4	171.5	0	0	0	112.1	E187 R188 A195 I213 R216 L217 I220	E187-L191 HydrophobicContact CG-CD1 3.9Å; E187-L191 HydrophobicContact CG-CG 4.45Å; E187-L191 WeakPolarHBondContact O-CB 3.49Å; E187-L191 WeakPolarHBondContact O-CG 3.49Å; E187-L191 PolarHBondContact O-N 3.15Å; R188-L191 PolarHBondContact O-N 2.75Å; L191-A195 VanDerWaalsContact O-CB 3.24Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.16Å; L191-I213 HydrophobicContact CB-CG2 4.06Å; L191-I213 HydrophobicContact CD2-CG1 4.17Å; L191-I213 HydrophobicContact CD2-CG2 4.08Å; L191-I213 VanDerWaalsContact O-CG2 3.31Å; L191-I213 WeakPolarHBondContact O-CG2 3.38Å; L191-R216 HydrophobicContact CD1-CB 4.17Å; L191-R216 HydrophobicContact CD1-CG 3.46Å; L191-R216 VanDerWaalsContact CD1-CG 3.46Å; L191-R216 HydrophobicContact CD2-CG 4.41Å; L191-L217 HydrophobicContact CB-CD1 4.26Å; L191-L217 HydrophobicContact CB-CD2 3.6Å; L191-L217 HydrophobicContact CB-CG 3.85Å; L191-L217 HydrophobicContact CD1-CD2 4.24Å; L191-L217 HydrophobicContact CD1-CG 4.39Å; L191-I220 HydrophobicContact CD1-CD1 4.12Å
192	E	89.4	Confident	87.4	Confident	55 Å²	55	71.3 Å²	71.3	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-41.6	175	-78.1	173.3	-178.6	0	0	112.3	R188 R190 A195 E196 L217	R188-E192 HydrophobicContact CG-CG 4.42Å; R188-E192 WeakPolarHBondContact CG-OE1 3.31Å; R188-E192 IonicContact CZ-OE1 2.7Å; R188-E192 IonicContact CZ-OE2 3.83Å; R188-E192 IonicContact NH1-OE1 3.1Å; R188-E192 PolarHBondContact NH1-OE1 3.27Å; R188-E192 IonicContact NH1-OE2 2.79Å; R188-E192 PolarHBondContact NH1-OE2 2.91Å; R188-E192 WeakPolarHBondContact O-CB 3.41Å; R188-E192 VanDerWaalsContact O-CG 3.32Å; R188-E192 WeakPolarHBondContact O-CG 3.23Å; R188-E192 PolarHBondContact O-N 3.43Å; R190-E192 VanDerWaalsContact C-N 3.35Å; R190-E192 PolarHBondContact O-N 3.03Å; E192-A195 PolarHBondContact O-N 3.2Å; E192-E196 PolarHBondContact O-N 3.12Å; E192-E196 VanDerWaalsContact O-N 3.07Å; E192-L217 HydrophobicContact CG-CD2 3.95Å
193	R	90.2	Very high	87.1	Confident	148 Å²	148	74 Å²	74	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-67.2	-45.8	176.2	-169.7	-175.8	-56.7	141.4	7.6	111.8	L189 R190 A195 E196 E197	L189-R193 WeakPolarHBondContact O-CB 3.45Å; L189-R193 PolarHBondContact O-N 2.9Å; L189-R193 VanDerWaalsContact O-N 3.12Å; R190-R193 PolarHBondContact O-N 2.85Å; R193-A195 VanDerWaalsContact C-N 3.28Å; R193-A195 PolarHBondContact O-N 3.36Å; R193-E196 PolarHBondContact O-N 2.86Å; R193-E196 VanDerWaalsContact O-N 3.12Å; R193-E197 WeakPolarHBondContact O-CG 3.23Å; R193-E197 PolarHBondContact O-N 3Å
194	E	88.5	Confident	86.8	Confident	63 Å²	63	76.3 Å²	76.3	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-37.9	177.7	-164.7	175	167.5	0	0	111.1	R190 E197 L198 I213	R190-E194 WeakPolarHBondContact O-CB 3.2Å; R190-E194 PolarHBondContact O-N 3.32Å; E194-E197 PolarHBondContact O-N 2.73Å; E194-L198 HydrophobicContact CG-CD1 4.1Å; E194-L198 WeakPolarHBondContact O-CB 3.34Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.36Å; E194-L198 PolarHBondContact O-N 3.1Å; E194-I213 HydrophobicContact CB-CD1 3.99Å; E194-I213 HydrophobicContact CG-CD1 3.54Å
195	A	88.5	Confident	86.7	Confident	4 Å²	4	81.3 Å²	81.3	3%	0.033	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-36.7	173.5	0	0	0	0	0	113.2	L191 E192 R193 A199 L210 I213 Y214 L217	L191-A195 VanDerWaalsContact O-CB 3.24Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.16Å; E192-A195 PolarHBondContact O-N 3.2Å; R193-A195 VanDerWaalsContact C-N 3.28Å; R193-A195 PolarHBondContact O-N 3.36Å; A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 3.25Å; A195-L210 HydrophobicContact CB-CD1 3.76Å; A195-L210 WeakPolarHBondContact O-CD1 3.41Å; A195-I213 HydrophobicContact CB-CG2 3.84Å; A195-Y214 HydrophobicContact CB-CE1 4.06Å; A195-L217 HydrophobicContact CB-CD1 4.36Å
196	E	88.7	Confident	86.5	Confident	130 Å²	130	80.8 Å²	80.8	61%	0.607	40%	0.401	S	S	*	.	H	α-helix	trans	-69.4	-44.3	176	-172.8	172.1	-160.7	0	0	111.4	E192 R193 A199 H200	E192-E196 PolarHBondContact O-N 3.12Å; E192-E196 VanDerWaalsContact O-N 3.07Å; R193-E196 PolarHBondContact O-N 2.86Å; R193-E196 VanDerWaalsContact O-N 3.12Å; E196-A199 WeakPolarHBondContact O-CB 3.31Å; E196-A199 PolarHBondContact O-N 3.05Å; E196-H200 PolarHBondContact O-CD2 3.43Å
197	E	87.9	Confident	86.4	Confident	126 Å²	126	75.9 Å²	75.9	59%	0.589	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-49.1	177.3	-71.1	173	-170.2	0	0	111.8	R193 E194 A199 H200	R193-E197 WeakPolarHBondContact O-CG 3.23Å; R193-E197 PolarHBondContact O-N 3Å; E194-E197 PolarHBondContact O-N 2.73Å; E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.19Å; E197-H200 PolarHBondContact O-N 3.35Å
198	L	87.2	Confident	86.4	Confident	29 Å²	29	76 Å²	76	15%	0.152	38%	0.384	C	S	.	.	H	α-helix	trans	-69.3	-25.9	178.8	-68.2	173	0	0	0	112.8	E194 H200 A201 K209 L210 I213	E194-L198 HydrophobicContact CG-CD1 4.1Å; E194-L198 WeakPolarHBondContact O-CB 3.34Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.36Å; E194-L198 PolarHBondContact O-N 3.1Å; L198-H200 PolarHBondContact O-N 3.13Å; L198-A201 PolarHBondContact O-N 3.08Å; L198-A201 VanDerWaalsContact O-N 3.12Å; L198-K209 HydrophobicContact CD1-CB 3.84Å; L198-L210 HydrophobicContact CB-CB 4.32Å; L198-L210 HydrophobicContact CB-CD1 4.28Å; L198-I213 HydrophobicContact CD1-CD1 3.51Å
199	A	83.4	Confident	86.3	Confident	30 Å²	30	79.5 Å²	79.5	25%	0.248	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	174.5	0	0	0	0	0	114	K17 A195 E196 E197 L210	K17-A199 VanDerWaalsContact NZ-CB 3.32Å; A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 3.25Å; E196-A199 WeakPolarHBondContact O-CB 3.31Å; E196-A199 PolarHBondContact O-N 3.05Å; E197-A199 VanDerWaalsContact C-N 3.28Å; E197-A199 PolarHBondContact O-N 3.19Å; A199-L210 HydrophobicContact CB-CD2 4.4Å
200	H	84.5	Confident	86.3	Confident	148 Å²	148	78 Å²	78	69%	0.685	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.8	175	-67.7	-61.7	0	0	0	113.6	E196 E197 L198	E196-H200 PolarHBondContact O-CD2 3.43Å; E197-H200 PolarHBondContact O-N 3.35Å; L198-H200 PolarHBondContact O-N 3.13Å
201	A	83.3	Confident	86.1	Confident	40 Å²	40	72.2 Å²	72.2	33%	0.331	37%	0.372	S	S	.	.			trans	-94.5	137.1	178.9	0	0	0	0	0	111.1	L198 D203 S206	L198-A201 PolarHBondContact O-N 3.08Å; L198-A201 VanDerWaalsContact O-N 3.12Å; A201-D203 WeakPolarHBondContact CB-OD1 3.32Å; A201-S206 WeakPolarHBondContact CB-OG 3.48Å
202	D	78.4	Confident	86.2	Confident	178 Å²	178	76.7 Å²	76.7	95%	0.952	40%	0.397	S	S	*	.			trans	-100	16.9	-174.1	-79.5	-27.8	0	0	0	113.8
203	D	85.5	Confident	86.2	Confident	73 Å²	73	74.6 Å²	74.6	39%	0.39	39%	0.387	S	S	.	.	S	Bend	trans	-102.3	151.7	-178.9	68.5	-64.3	0	0	0	113.5	A201 E205 S206 S207	A201-D203 WeakPolarHBondContact CB-OD1 3.32Å; D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 PolarHBondContact O-N 3.19Å; D203-S206 PolarHBondContact O-N 3Å; D203-S206 WeakPolarHBondContact OD1-CB 3.31Å; D203-S206 PolarHBondContact OD1-OG 3.38Å; D203-S206 PolarHBondContact OD2-N 3.3Å; D203-S206 VanDerWaalsContact OD2-N 3.14Å; D203-S206 PolarHBondContact OD2-OG 3.04Å; D203-S207 PolarHBondContact O-N 3.42Å
204	A	82.3	Confident	86.2	Confident	79 Å²	79	68.3 Å²	68.3	65%	0.653	36%	0.363	S	S	*	.	H	α-helix	trans	-63.3	-33.7	-176.5	0	0	0	0	0	113.2	S207 D208	A204-S207 WeakPolarHBondContact O-CB 3.49Å; A204-S207 PolarHBondContact O-N 2.84Å; A204-D208 PolarHBondContact O-N 3.22Å; A204-D208 VanDerWaalsContact O-N 3.12Å
205	E	83.9	Confident	86.3	Confident	121 Å²	121	68.6 Å²	68.6	57%	0.565	37%	0.367	S	S	*	.	H	α-helix	trans	-68.5	-40.9	179.3	-166.5	-173.5	153.8	0	0	111.3	D203 S207 D208 K209	D203-E205 VanDerWaalsContact C-N 3.3Å; D203-E205 PolarHBondContact O-N 3.19Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.42Å; E205-D208 PolarHBondContact O-N 2.84Å; E205-K209 PolarHBondContact O-N 3.29Å; E205-K209 VanDerWaalsContact O-N 3.09Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å; E205-K209 IonicContact OE1-NZ 4Å; E205-K209 PolarHBondContact OE1-NZ 2.94Å
206	S	83.1	Confident	86.5	Confident	12 Å²	12	73.3 Å²	73.3	8%	0.084	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-38.9	172.6	-64.9	0	0	0	0	112.6	A201 D203 L210	A201-S206 WeakPolarHBondContact CB-OG 3.48Å; D203-S206 PolarHBondContact O-N 3Å; D203-S206 WeakPolarHBondContact OD1-CB 3.31Å; D203-S206 PolarHBondContact OD1-OG 3.38Å; D203-S206 PolarHBondContact OD2-N 3.3Å; D203-S206 VanDerWaalsContact OD2-N 3.14Å; D203-S206 PolarHBondContact OD2-OG 3.04Å; S206-L210 WeakPolarHBondContact O-CB 3.47Å; S206-L210 PolarHBondContact O-N 2.69Å
207	S	84.1	Confident	86.4	Confident	25 Å²	25	67.1 Å²	67.1	18%	0.175	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-43.5	175.1	173.7	0	0	0	0	112.4	D203 A204 E205 L210 M211	D203-S207 PolarHBondContact O-N 3.42Å; A204-S207 WeakPolarHBondContact O-CB 3.49Å; A204-S207 PolarHBondContact O-N 2.84Å; E205-S207 VanDerWaalsContact C-N 3.33Å; E205-S207 PolarHBondContact O-N 3.42Å; S207-L210 PolarHBondContact O-N 3.22Å; S207-M211 WeakPolarHBondContact O-CG 3.31Å; S207-M211 PolarHBondContact O-N 3.33Å; S207-M211 VanDerWaalsContact O-N 3.11Å
208	D	87.4	Confident	86.4	Confident	87 Å²	87	65.6 Å²	65.6	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-66.3	-45.7	179.1	-74.6	-20.7	0	0	0	111.3	A204 E205 L210 M211 D212	A204-D208 PolarHBondContact O-N 3.22Å; A204-D208 VanDerWaalsContact O-N 3.12Å; E205-D208 PolarHBondContact O-N 2.84Å; D208-L210 VanDerWaalsContact C-N 3.3Å; D208-L210 PolarHBondContact O-N 3.05Å; D208-M211 WeakPolarHBondContact O-CB 3.04Å; D208-M211 PolarHBondContact O-N 3.49Å; D208-M211 VanDerWaalsContact O-N 3.15Å; D208-D212 PolarHBondContact O-N 2.93Å; D208-D212 VanDerWaalsContact O-N 3.15Å
209	K	87.5	Confident	86.3	Confident	91 Å²	91	70 Å²	70	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-39.1	174.4	-71	175.7	-172.8	161.5	0	112.3	L198 E205 M211 D212 I213	L198-K209 HydrophobicContact CD1-CB 3.84Å; E205-K209 PolarHBondContact O-N 3.29Å; E205-K209 VanDerWaalsContact O-N 3.09Å; E205-K209 WeakPolarHBondContact OE1-CE 3.36Å; E205-K209 IonicContact OE1-NZ 4Å; E205-K209 PolarHBondContact OE1-NZ 2.94Å; K209-M211 VanDerWaalsContact C-N 3.28Å; K209-M211 PolarHBondContact O-N 2.48Å; K209-D212 PolarHBondContact O-N 3.14Å; K209-I213 WeakPolarHBondContact O-CD1 3.38Å; K209-I213 VanDerWaalsContact O-CG1 3.28Å; K209-I213 WeakPolarHBondContact O-CG1 3.2Å; K209-I213 PolarHBondContact O-N 3Å
210	L	87.5	Confident	86.4	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-35.4	177.4	-177.6	62.6	0	0	0	111.8	L21 A195 L198 A199 S206 S207 D208 Y214	L21-L210 HydrophobicContact CD1-CD2 4.01Å; A195-L210 HydrophobicContact CB-CD1 3.76Å; A195-L210 WeakPolarHBondContact O-CD1 3.41Å; L198-L210 HydrophobicContact CB-CB 4.32Å; L198-L210 HydrophobicContact CB-CD1 4.28Å; A199-L210 HydrophobicContact CB-CD2 4.4Å; S206-L210 WeakPolarHBondContact O-CB 3.47Å; S206-L210 PolarHBondContact O-N 2.69Å; S207-L210 PolarHBondContact O-N 3.22Å; D208-L210 VanDerWaalsContact C-N 3.3Å; D208-L210 PolarHBondContact O-N 3.05Å; L210-Y214 HydrophobicContact CD1-CD2 4.3Å; L210-Y214 HydrophobicContact CD1-CE1 4.28Å; L210-Y214 HydrophobicContact CD1-CE2 3.72Å; L210-Y214 HydrophobicContact CD2-CE2 3.94Å; L210-Y214 HydrophobicContact CG-CD2 4.01Å; L210-Y214 HydrophobicContact CG-CE2 3.51Å; L210-Y214 VanDerWaalsContact O-CD2 3.25Å; L210-Y214 WeakPolarHBondContact O-CD2 3.25Å; L210-Y214 PolarHBondContact O-N 3.37Å
211	M	87.8	Confident	86.5	Confident	51 Å²	51	65.4 Å²	65.4	25%	0.251	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-47.5	173.9	-70.6	-64.9	-62.8	0	0	111.6	K18 L21 S207 D208 K209 I213 Y214 D215	K18-M211 HydrophobicContact CB-CE 4.46Å; K18-M211 HydrophobicContact CB-SD 4.4Å; K18-M211 HydrophobicContact CD-CE 4.17Å; K18-M211 HydrophobicContact CG-CE 3.95Å; K18-M211 HydrophobicContact CG-SD 3.85Å; L21-M211 HydrophobicContact CD1-SD 4.36Å; S207-M211 WeakPolarHBondContact O-CG 3.31Å; S207-M211 PolarHBondContact O-N 3.33Å; S207-M211 VanDerWaalsContact O-N 3.11Å; D208-M211 WeakPolarHBondContact O-CB 3.04Å; D208-M211 PolarHBondContact O-N 3.49Å; D208-M211 VanDerWaalsContact O-N 3.15Å; K209-M211 VanDerWaalsContact C-N 3.28Å; K209-M211 PolarHBondContact O-N 2.48Å; M211-I213 VanDerWaalsContact C-N 3.27Å; M211-I213 PolarHBondContact O-N 3.06Å; M211-Y214 PolarHBondContact O-N 2.87Å; M211-Y214 VanDerWaalsContact O-N 3.13Å; M211-D215 PolarHBondContact O-N 3.07Å
212	D	90.8	Very high	86.4	Confident	114 Å²	114	64 Å²	64	61%	0.61	34%	0.339	S	S	*	.	H	α-helix	trans	-58.1	-40.8	176.5	-69.7	-19.8	0	0	0	111.5	D208 K209 D215 R216	D208-D212 PolarHBondContact O-N 2.93Å; D208-D212 VanDerWaalsContact O-N 3.15Å; K209-D212 PolarHBondContact O-N 3.14Å; D212-D215 PolarHBondContact O-N 3.44Å; D212-R216 WeakPolarHBondContact O-CB 3.29Å; D212-R216 PolarHBondContact O-N 3.11Å
213	I	90	Very high	86.7	Confident	11 Å²	11	58 Å²	58	6%	0.056	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-42.9	176.1	-69.5	163.2	0	0	0	111.4	L191 E194 A195 L198 K209 M211 D215 R216 L217	L191-I213 HydrophobicContact CB-CG2 4.06Å; L191-I213 HydrophobicContact CD2-CG1 4.17Å; L191-I213 HydrophobicContact CD2-CG2 4.08Å; L191-I213 VanDerWaalsContact O-CG2 3.31Å; L191-I213 WeakPolarHBondContact O-CG2 3.38Å; E194-I213 HydrophobicContact CB-CD1 3.99Å; E194-I213 HydrophobicContact CG-CD1 3.54Å; A195-I213 HydrophobicContact CB-CG2 3.84Å; L198-I213 HydrophobicContact CD1-CD1 3.51Å; K209-I213 WeakPolarHBondContact O-CD1 3.38Å; K209-I213 VanDerWaalsContact O-CG1 3.28Å; K209-I213 WeakPolarHBondContact O-CG1 3.2Å; K209-I213 PolarHBondContact O-N 3Å; M211-I213 VanDerWaalsContact C-N 3.27Å; M211-I213 PolarHBondContact O-N 3.06Å; I213-D215 VanDerWaalsContact C-N 3.32Å; I213-D215 PolarHBondContact O-N 3.43Å; I213-R216 PolarHBondContact O-N 2.99Å; I213-L217 HydrophobicContact CG2-CD1 3.72Å; I213-L217 HydrophobicContact CG2-CG 4.26Å; I213-L217 WeakPolarHBondContact O-CB 3.4Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 3.12Å
214	Y	90.6	Very high	86.9	Confident	16 Å²	16	57 Å²	57	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-37.6	176.9	-74.9	-39.5	0	0	0	112.6	R14 K18 A195 L210 M211 L217 E218	R14-Y214 HydrophobicContact CG-CD1 3.92Å; R14-Y214 HydrophobicContact CG-CE1 3.61Å; K18-Y214 HydrophobicContact CG-CD2 4.38Å; A195-Y214 HydrophobicContact CB-CE1 4.06Å; L210-Y214 HydrophobicContact CD1-CD2 4.3Å; L210-Y214 HydrophobicContact CD1-CE1 4.28Å; L210-Y214 HydrophobicContact CD1-CE2 3.72Å; L210-Y214 HydrophobicContact CD2-CE2 3.94Å; L210-Y214 HydrophobicContact CG-CD2 4.01Å; L210-Y214 HydrophobicContact CG-CE2 3.51Å; L210-Y214 VanDerWaalsContact O-CD2 3.25Å; L210-Y214 WeakPolarHBondContact O-CD2 3.25Å; L210-Y214 PolarHBondContact O-N 3.37Å; M211-Y214 PolarHBondContact O-N 2.87Å; M211-Y214 VanDerWaalsContact O-N 3.13Å; Y214-L217 HydrophobicContact CD1-CD1 4.21Å; Y214-L217 PolarHBondContact O-N 2.99Å; Y214-E218 WeakPolarHBondContact O-CB 3.45Å; Y214-E218 PolarHBondContact O-N 3.35Å
215	D	90.5	Very high	87.2	Confident	70 Å²	70	53.3 Å²	53.3	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-42.8	174.7	-69.4	-10.3	0	0	0	110.4	K18 M211 D212 I213 L217 E218 D219	K18-D215 WeakPolarHBondContact CE-OD1 3.49Å; K18-D215 IonicContact NZ-OD1 2.71Å; K18-D215 PolarHBondContact NZ-OD1 3.44Å; M211-D215 PolarHBondContact O-N 3.07Å; D212-D215 PolarHBondContact O-N 3.44Å; I213-D215 VanDerWaalsContact C-N 3.32Å; I213-D215 PolarHBondContact O-N 3.43Å; D215-L217 PolarHBondContact O-N 3.38Å; D215-E218 WeakPolarHBondContact O-CB 3.3Å; D215-E218 PolarHBondContact O-N 3.43Å; D215-D219 PolarHBondContact O-N 3.26Å
216	R	91.3	Very high	87.6	Confident	103 Å²	103	52.7 Å²	52.7	39%	0.389	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-39.4	174.1	-174.8	61	-179.3	161.4	3.6	112.9	E187 L191 D212 I213 E218 D219 I220	E187-R216 IonicContact OE1-CZ 3.74Å; E187-R216 IonicContact OE1-NE 3.09Å; E187-R216 PolarHBondContact OE1-NE 3.36Å; E187-R216 IonicContact OE1-NH2 3.52Å; E187-R216 PolarHBondContact OE1-NH2 2.84Å; E187-R216 IonicContact OE2-NH2 3.45Å; E187-R216 PolarHBondContact OE2-NH2 3.07Å; L191-R216 HydrophobicContact CD1-CB 4.17Å; L191-R216 HydrophobicContact CD1-CG 3.46Å; L191-R216 VanDerWaalsContact CD1-CG 3.46Å; L191-R216 HydrophobicContact CD2-CG 4.41Å; D212-R216 WeakPolarHBondContact O-CB 3.29Å; D212-R216 PolarHBondContact O-N 3.11Å; I213-R216 PolarHBondContact O-N 2.99Å; R216-E218 VanDerWaalsContact C-N 3.29Å; R216-E218 PolarHBondContact O-N 3.47Å; R216-D219 WeakPolarHBondContact O-CB 3.33Å; R216-D219 PolarHBondContact O-N 2.91Å; R216-I220 WeakPolarHBondContact O-CG1 3.01Å; R216-I220 PolarHBondContact O-N 2.77Å; R216-I220 VanDerWaalsContact O-N 3.09Å
217	L	88.1	Confident	88.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.3	-31.7	176	-76.3	166.5	0	0	0	112.2	R188 L191 E192 A195 I213 Y214 D215 I220 S221 A222	R188-L217 HydrophobicContact CG-CD2 4.39Å; L191-L217 HydrophobicContact CB-CD1 4.26Å; L191-L217 HydrophobicContact CB-CD2 3.6Å; L191-L217 HydrophobicContact CB-CG 3.85Å; L191-L217 HydrophobicContact CD1-CD2 4.24Å; L191-L217 HydrophobicContact CD1-CG 4.39Å; E192-L217 HydrophobicContact CG-CD2 3.95Å; A195-L217 HydrophobicContact CB-CD1 4.36Å; I213-L217 HydrophobicContact CG2-CD1 3.72Å; I213-L217 HydrophobicContact CG2-CG 4.26Å; I213-L217 WeakPolarHBondContact O-CB 3.4Å; I213-L217 VanDerWaalsContact O-CG 3.26Å; I213-L217 WeakPolarHBondContact O-CG 3.3Å; I213-L217 PolarHBondContact O-N 3.12Å; Y214-L217 HydrophobicContact CD1-CD1 4.21Å; Y214-L217 PolarHBondContact O-N 2.99Å; D215-L217 PolarHBondContact O-N 3.38Å; L217-I220 HydrophobicContact CD2-CD1 4.14Å; L217-S221 PolarHBondContact O-N 2.77Å; L217-A222 HydrophobicContact CB-CB 4.21Å; L217-A222 HydrophobicContact CD2-CB 3.82Å; L217-A222 VanDerWaalsContact O-CB 3.27Å; L217-A222 WeakPolarHBondContact O-CB 3.42Å; L217-A222 PolarHBondContact O-N 3.08Å
218	E	87	Confident	88.5	Confident	94 Å²	94	56.2 Å²	56.2	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-71.2	-44.1	173.3	-169.4	167.2	-175.2	0	0	110.8	K18 Y214 D215 R216 I220 S221	K18-E218 IonicContact NZ-OE2 2.68Å; K18-E218 PolarHBondContact NZ-OE2 2.99Å; K18-E218 VanDerWaalsContact NZ-OE2 3.1Å; Y214-E218 WeakPolarHBondContact O-CB 3.45Å; Y214-E218 PolarHBondContact O-N 3.35Å; D215-E218 WeakPolarHBondContact O-CB 3.3Å; D215-E218 PolarHBondContact O-N 3.43Å; R216-E218 VanDerWaalsContact C-N 3.29Å; R216-E218 PolarHBondContact O-N 3.47Å; E218-I220 VanDerWaalsContact C-N 3.33Å; E218-I220 PolarHBondContact O-N 3.33Å; E218-S221 WeakPolarHBondContact O-CA 3.25Å; E218-S221 PolarHBondContact O-N 2.91Å
219	D	86.1	Confident	88.8	Confident	122 Å²	122	52 Å²	52	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-58	-40.9	175.9	-77.5	-17.8	0	0	0	112.9	D215 R216 S221	D215-D219 PolarHBondContact O-N 3.26Å; R216-D219 WeakPolarHBondContact O-CB 3.33Å; R216-D219 PolarHBondContact O-N 2.91Å; D219-S221 PolarHBondContact O-N 3.4Å
220	I	84.9	Confident	89.2	Confident	31 Å²	31	48.3 Å²	48.3	16%	0.159	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.5	176.3	71.6	179.4	0	0	0	113	R188 L191 R216 L217 E218 A222 R228	R188-I220 HydrophobicContact CB-CD1 3.78Å; R188-I220 HydrophobicContact CG-CD1 4.17Å; L191-I220 HydrophobicContact CD1-CD1 4.12Å; R216-I220 WeakPolarHBondContact O-CG1 3.01Å; R216-I220 PolarHBondContact O-N 2.77Å; R216-I220 VanDerWaalsContact O-N 3.09Å; L217-I220 HydrophobicContact CD2-CD1 4.14Å; E218-I220 VanDerWaalsContact C-N 3.33Å; E218-I220 PolarHBondContact O-N 3.33Å; I220-A222 VanDerWaalsContact C-N 3.34Å; I220-A222 HydrophobicContact CG1-CB 4.19Å; I220-A222 PolarHBondContact O-N 3.18Å; I220-R228 PolarHBondContact O-NH2 2.84Å
221	S	85.5	Confident	89.4	Confident	50 Å²	50	52.4 Å²	52.4	35%	0.35	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	50.7	-179.4	-50	0	0	0	0	112.1	L217 E218 D219 D223 T224 R228	L217-S221 PolarHBondContact O-N 2.77Å; E218-S221 WeakPolarHBondContact O-CA 3.25Å; E218-S221 PolarHBondContact O-N 2.91Å; D219-S221 PolarHBondContact O-N 3.4Å; S221-D223 PolarHBondContact O-N 2.69Å; S221-T224 WeakPolarHBondContact CB-OG1 3.34Å; S221-T224 PolarHBondContact O-N 3.42Å; S221-T224 PolarHBondContact O-OG1 3.39Å; S221-T224 VanDerWaalsContact O-OG1 3.05Å; S221-R228 PolarHBondContact O-NH2 2.82Å; S221-R228 VanDerWaalsContact O-NH2 3.09Å
222	A	81.9	Confident	89.7	Confident	9 Å²	9	50.4 Å²	50.4	7%	0.074	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.8	-28.7	-177.9	0	0	0	0	0	112.8	R188 L217 I220 A225	R188-A222 HydrophobicContact CG-CB 3.92Å; L217-A222 HydrophobicContact CB-CB 4.21Å; L217-A222 HydrophobicContact CD2-CB 3.82Å; L217-A222 VanDerWaalsContact O-CB 3.27Å; L217-A222 WeakPolarHBondContact O-CB 3.42Å; L217-A222 PolarHBondContact O-N 3.08Å; I220-A222 VanDerWaalsContact C-N 3.34Å; I220-A222 HydrophobicContact CG1-CB 4.19Å; I220-A222 PolarHBondContact O-N 3.18Å; A222-A225 WeakPolarHBondContact O-CB 3.48Å; A222-A225 PolarHBondContact O-N 3.36Å
223	D	84.1	Confident	90	Very high	53 Å²	53	45 Å²	45	28%	0.283	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-69	-31.1	178.9	65.3	-35.9	0	0	0	113.6	S221	S221-D223 PolarHBondContact O-N 2.69Å
224	T	89.7	Confident	90.1	Very high	52 Å²	52	50.2 Å²	50.2	32%	0.319	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-90.1	1	176.1	64.1	0	0	0	0	113.2	S221 E226 A227 R228	S221-T224 WeakPolarHBondContact CB-OG1 3.34Å; S221-T224 PolarHBondContact O-N 3.42Å; S221-T224 PolarHBondContact O-OG1 3.39Å; S221-T224 VanDerWaalsContact O-OG1 3.05Å; T224-E226 VanDerWaalsContact C-N 3.35Å; T224-E226 PolarHBondContact O-N 3.42Å; T224-A227 PolarHBondContact O-N 3.35Å; T224-R228 WeakPolarHBondContact O-CG 3.35Å; T224-R228 PolarHBondContact O-N 3.25Å; T224-R228 PolarHBondContact OG1-NE 3.08Å
225	A	90.5	Very high	90.1	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-55.8	-45.9	-174.3	0	0	0	0	0	112.8	M182 A222 R228 A229 F265	M182-A225 HydrophobicContact SD-CB 4.43Å; A222-A225 WeakPolarHBondContact O-CB 3.48Å; A222-A225 PolarHBondContact O-N 3.36Å; A225-R228 PolarHBondContact O-N 2.95Å; A225-A229 WeakPolarHBondContact O-CB 3.35Å; A225-A229 PolarHBondContact O-N 3.2Å; A225-F265 HydrophobicContact CB-CE2 4.43Å; A225-F265 HydrophobicContact CB-CZ 3.98Å; A225-F265 WeakPolarHBondContact O-CE2 3.31Å
226	E	91.9	Very high	90.2	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-44.6	179.6	-169.8	176.7	-178.8	0	0	111.9	I178 M182 T224 R228 A229 A230	I178-E226 HydrophobicContact CD1-CG 3.6Å; I178-E226 HydrophobicContact CG1-CG 4.4Å; M182-E226 HydrophobicContact CE-CG 4.39Å; M182-E226 WeakPolarHBondContact SD-CA 3.19Å; M182-E226 HydrophobicContact SD-CB 3.78Å; M182-E226 HydrophobicContact SD-CG 4.19Å; T224-E226 VanDerWaalsContact C-N 3.35Å; T224-E226 PolarHBondContact O-N 3.42Å; E226-R228 PolarHBondContact O-N 3.38Å; E226-A229 PolarHBondContact O-N 2.85Å; E226-A230 WeakPolarHBondContact O-CB 3.32Å; E226-A230 PolarHBondContact O-N 3.41Å
227	A	92.5	Very high	90.2	Very high	53 Å²	53	42.6 Å²	42.6	44%	0.438	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-43.7	177.1	0	0	0	0	0	111.7	T224 A230 E231	T224-A227 PolarHBondContact O-N 3.35Å; A227-A230 PolarHBondContact O-N 3.39Å; A227-E231 WeakPolarHBondContact O-CB 3.21Å; A227-E231 PolarHBondContact O-N 2.87Å
228	R	92.7	Very high	90.4	Very high	58 Å²	58	42.7 Å²	42.7	22%	0.219	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-42.9	175.8	-71.2	-171.9	-68.3	128.3	-11	111.9	I220 S221 T224 A225 E226 E231 I232 F265	I220-R228 PolarHBondContact O-NH2 2.84Å; S221-R228 PolarHBondContact O-NH2 2.82Å; S221-R228 VanDerWaalsContact O-NH2 3.09Å; T224-R228 WeakPolarHBondContact O-CG 3.35Å; T224-R228 PolarHBondContact O-N 3.25Å; T224-R228 PolarHBondContact OG1-NE 3.08Å; A225-R228 PolarHBondContact O-N 2.95Å; E226-R228 PolarHBondContact O-N 3.38Å; R228-E231 PolarHBondContact O-N 2.97Å; R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.42Å; R228-I232 PolarHBondContact O-N 2.74Å; R228-I232 VanDerWaalsContact O-N 3.14Å; R228-F265 HydrophobicContact CB-CD2 4.37Å; R228-F265 HydrophobicContact CB-CE2 4.08Å
229	A	94.5	Very high	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-43.1	176.8	0	0	0	0	0	111.4	I178 V181 M182 A225 E226 I232 L233 F265	I178-A229 HydrophobicContact CG1-CB 3.99Å; V181-A229 HydrophobicContact CB-CB 4.22Å; V181-A229 HydrophobicContact CG1-CB 3.82Å; M182-A229 HydrophobicContact CG-CB 3.69Å; A225-A229 WeakPolarHBondContact O-CB 3.35Å; A225-A229 PolarHBondContact O-N 3.2Å; E226-A229 PolarHBondContact O-N 2.85Å; A229-I232 PolarHBondContact O-N 3.43Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 WeakPolarHBondContact O-CG 3.16Å; A229-L233 PolarHBondContact O-N 3.05Å; A229-F265 HydrophobicContact CB-CD2 4.18Å; A229-F265 HydrophobicContact CB-CE2 4.18Å
230	A	94.5	Very high	90.8	Very high	12 Å²	12	41 Å²	41	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176.3	0	0	0	0	0	112.3	I178 E226 A227 I232 L233 F234 M243	I178-A230 HydrophobicContact CD1-CB 3.96Å; E226-A230 WeakPolarHBondContact O-CB 3.32Å; E226-A230 PolarHBondContact O-N 3.41Å; A227-A230 PolarHBondContact O-N 3.39Å; A230-I232 PolarHBondContact O-N 3.08Å; A230-L233 PolarHBondContact O-N 3.39Å; A230-F234 VanDerWaalsContact O-CB 3.29Å; A230-F234 WeakPolarHBondContact O-CB 3.43Å; A230-F234 PolarHBondContact O-N 2.81Å; A230-M243 HydrophobicContact CB-SD 3.96Å; A230-M243 VanDerWaalsContact O-CE 3.32Å; A230-M243 WeakPolarHBondContact O-CE 3.43Å
231	E	93	Very high	91.2	Very high	93 Å²	93	47.6 Å²	47.6	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176.9	-171.2	-171.2	173.6	0	0	111.7	A227 R228 F234 G235	A227-E231 WeakPolarHBondContact O-CB 3.21Å; A227-E231 PolarHBondContact O-N 2.87Å; R228-E231 PolarHBondContact O-N 2.97Å; E231-F234 PolarHBondContact O-N 2.87Å; E231-G235 PolarHBondContact O-N 2.81Å
232	I	94.6	Very high	91.5	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.046	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-46.9	178.4	-66.4	168.4	0	0	0	110.7	R228 A229 A230 F234 G235 L236 A261 L264 F265 W287	R228-I232 VanDerWaalsContact O-CG1 3.29Å; R228-I232 WeakPolarHBondContact O-CG1 3.42Å; R228-I232 PolarHBondContact O-N 2.74Å; R228-I232 VanDerWaalsContact O-N 3.14Å; A229-I232 PolarHBondContact O-N 3.43Å; A230-I232 PolarHBondContact O-N 3.08Å; I232-F234 VanDerWaalsContact C-N 3.33Å; I232-F234 PolarHBondContact O-N 2.7Å; I232-G235 PolarHBondContact O-N 3.14Å; I232-L236 HydrophobicContact CG2-CD1 4.21Å; I232-L236 WeakPolarHBondContact O-CG 3.12Å; I232-L236 PolarHBondContact O-N 2.84Å; I232-L236 VanDerWaalsContact O-N 3.09Å; I232-A261 HydrophobicContact CG2-CB 3.69Å; I232-L264 HydrophobicContact CD1-CB 4.29Å; I232-L264 HydrophobicContact CG2-CB 4.08Å; I232-L264 HydrophobicContact CG2-CD1 4.11Å; I232-F265 HydrophobicContact CD1-CB 3.94Å; I232-F265 HydrophobicContact CD1-CD2 4.27Å; I232-W287 HydrophobicContact CB-CH2 4.19Å; I232-W287 HydrophobicContact CG1-CH2 4.32Å; I232-W287 HydrophobicContact CG2-CH2 4.02Å
233	L	95.4	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-42.5	177.4	-75.7	171.6	0	0	0	111.2	A177 I178 V181 A229 A230 G235 L236 G237 F238 M243 A261	A177-L233 HydrophobicContact CB-CD1 4.47Å; I178-L233 HydrophobicContact CB-CD1 4.03Å; I178-L233 HydrophobicContact CG1-CD1 4.34Å; V181-L233 HydrophobicContact CG2-CD1 4.03Å; V181-L233 HydrophobicContact CG2-CD2 3.92Å; V181-L233 HydrophobicContact CG2-CG 4.05Å; A229-L233 WeakPolarHBondContact O-CB 3.35Å; A229-L233 WeakPolarHBondContact O-CG 3.16Å; A229-L233 PolarHBondContact O-N 3.05Å; A230-L233 PolarHBondContact O-N 3.39Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 2.99Å; L233-L236 CarbonylContact O-C 3.58Å; L233-L236 PolarHBondContact O-N 3.36Å; L233-G237 PolarHBondContact O-N 2.82Å; L233-F238 HydrophobicContact CB-CB 4.02Å; L233-F238 HydrophobicContact CB-CD2 4.14Å; L233-F238 HydrophobicContact CB-CG 4.14Å; L233-F238 HydrophobicContact CD2-CD1 4.3Å; L233-F238 HydrophobicContact CD2-CD2 3.69Å; L233-F238 HydrophobicContact CD2-CE1 4.33Å; L233-F238 HydrophobicContact CD2-CE2 3.7Å; L233-F238 HydrophobicContact CD2-CG 4Å; L233-F238 HydrophobicContact CD2-CZ 4.05Å; L233-F238 WeakPolarHBondContact O-CB 3.38Å; L233-F238 VanDerWaalsContact O-CD2 3.25Å; L233-F238 WeakPolarHBondContact O-CD2 3.45Å; L233-F238 PolarHBondContact O-N 3.19Å; L233-M243 HydrophobicContact CB-CE 4.01Å; L233-M243 HydrophobicContact CB-CG 4.08Å; L233-M243 HydrophobicContact CB-SD 4.29Å; L233-M243 HydrophobicContact CD1-CG 4.1Å; L233-A261 HydrophobicContact CD2-CB 3.79Å; L233-A261 HydrophobicContact CG-CB 4.33Å
234	F	93	Very high	92.6	Very high	121 Å²	121	49.3 Å²	49.3	53%	0.531	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-45.1	177.2	-175	-104.1	0	0	0	111.4	A230 E231 I232 L236 G237 M243	A230-F234 VanDerWaalsContact O-CB 3.29Å; A230-F234 WeakPolarHBondContact O-CB 3.43Å; A230-F234 PolarHBondContact O-N 2.81Å; E231-F234 PolarHBondContact O-N 2.87Å; I232-F234 VanDerWaalsContact C-N 3.33Å; I232-F234 PolarHBondContact O-N 2.7Å; F234-L236 VanDerWaalsContact C-N 3.27Å; F234-L236 PolarHBondContact O-N 2.81Å; F234-G237 WeakPolarHBondContact O-CA 3.38Å; F234-G237 PolarHBondContact O-N 3.17Å; F234-M243 HydrophobicContact CB-CE 3.7Å; F234-M243 HydrophobicContact CD2-CE 4.36Å
235	G	91.4	Very high	92.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-35.9	175.9	0	0	0	0	0	114.3	E231 I232 L233 G237 W287	E231-G235 PolarHBondContact O-N 2.81Å; I232-G235 PolarHBondContact O-N 3.14Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 2.99Å; G235-G237 PolarHBondContact O-N 3.29Å; G235-W287 VanDerWaalsContact CA-CD2 3.45Å
236	L	92.6	Very high	93.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.3	174.1	-63.5	173.9	0	0	0	113.5	I232 L233 F234 F238 R257 L260 A261 L280 W287	I232-L236 HydrophobicContact CG2-CD1 4.21Å; I232-L236 WeakPolarHBondContact O-CG 3.12Å; I232-L236 PolarHBondContact O-N 2.84Å; I232-L236 VanDerWaalsContact O-N 3.09Å; L233-L236 CarbonylContact O-C 3.58Å; L233-L236 PolarHBondContact O-N 3.36Å; F234-L236 VanDerWaalsContact C-N 3.27Å; F234-L236 PolarHBondContact O-N 2.81Å; L236-F238 HydrophobicContact CB-CD2 4.34Å; L236-F238 HydrophobicContact CB-CE2 4.42Å; L236-R257 WeakPolarHBondContact CD1-O 3.41Å; L236-R257 WeakPolarHBondContact O-CD 3.39Å; L236-R257 PolarHBondContact O-NH1 3.05Å; L236-L260 HydrophobicContact CD1-CB 4.45Å; L236-L260 HydrophobicContact CD1-CD2 4.37Å; L236-L260 HydrophobicContact CD1-CG 4.3Å; L236-L260 HydrophobicContact CD2-CD2 3.79Å; L236-L260 HydrophobicContact CD2-CG 4.48Å; L236-A261 HydrophobicContact CD1-CB 3.76Å; L236-L280 HydrophobicContact CD2-CD2 4.44Å; L236-W287 HydrophobicContact CD2-CE3 4.03Å; L236-W287 HydrophobicContact CD2-CZ3 3.88Å; L236-W287 HydrophobicContact CG-CE3 4.31Å; L236-W287 HydrophobicContact CG-CZ3 3.88Å
237	G	89.9	Confident	93.1	Very high	28 Å²	28	48.8 Å²	48.8	29%	0.289	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	11.3	171.7	0	0	0	0	0	115.5	L233 F234 G235 W254	L233-G237 PolarHBondContact O-N 2.82Å; F234-G237 WeakPolarHBondContact O-CA 3.38Å; F234-G237 PolarHBondContact O-N 3.17Å; G235-G237 PolarHBondContact O-N 3.29Å; G237-W254 WeakPolarHBondContact O-CH2 3.32Å
238	F	92.6	Very high	93.1	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	25%	0.249	C	C	.	.			trans	-75.3	131.5	174.6	-70.6	-105.8	0	0	0	110.5	A177 L233 L236 M242 M243 F250 W254 R257 I258	A177-F238 HydrophobicContact CB-CD1 4.4Å; A177-F238 HydrophobicContact CB-CE1 4.11Å; L233-F238 HydrophobicContact CB-CB 4.02Å; L233-F238 HydrophobicContact CB-CD2 4.14Å; L233-F238 HydrophobicContact CB-CG 4.14Å; L233-F238 HydrophobicContact CD2-CD1 4.3Å; L233-F238 HydrophobicContact CD2-CD2 3.69Å; L233-F238 HydrophobicContact CD2-CE1 4.33Å; L233-F238 HydrophobicContact CD2-CE2 3.7Å; L233-F238 HydrophobicContact CD2-CG 4Å; L233-F238 HydrophobicContact CD2-CZ 4.05Å; L233-F238 WeakPolarHBondContact O-CB 3.38Å; L233-F238 VanDerWaalsContact O-CD2 3.25Å; L233-F238 WeakPolarHBondContact O-CD2 3.45Å; L233-F238 PolarHBondContact O-N 3.19Å; L236-F238 HydrophobicContact CB-CD2 4.34Å; L236-F238 HydrophobicContact CB-CE2 4.42Å; F238-M242 HydrophobicContact CB-CB 4.44Å; F238-M242 HydrophobicContact CD1-CB 4.05Å; F238-M242 HydrophobicContact CD1-CE 4.44Å; F238-M243 HydrophobicContact CB-CE 4.15Å; F238-M243 HydrophobicContact CB-CG 3.94Å; F238-M243 WeakPolarHBondContact O-CE 3.19Å; F238-F250 HydrophobicContact CD1-CE1 4.24Å; F238-F250 HydrophobicContact CD1-CZ 4.14Å; F238-F250 HydrophobicContact CE1-CD1 4.39Å; F238-F250 AromaticContact CE1-CE1 3.8Å; F238-F250 HydrophobicContact CE1-CE1 3.8Å; F238-F250 HydrophobicContact CE1-CE2 4.43Å; F238-F250 AromaticContact CE1-CZ 3.81Å; F238-F250 HydrophobicContact CE1-CZ 3.81Å; F238-W254 HydrophobicContact CD1-CE3 4.26Å; F238-W254 HydrophobicContact CD1-CZ3 4.29Å; F238-W254 HydrophobicContact CD2-CE3 4.17Å; F238-W254 AromaticContact CD2-CZ3 3.85Å; F238-W254 HydrophobicContact CD2-CZ3 3.85Å; F238-W254 AromaticContact CE1-CE3 3.82Å; F238-W254 HydrophobicContact CE1-CE3 3.82Å; F238-W254 HydrophobicContact CE1-CZ3 4.29Å; F238-W254 AromaticContact CE2-CE3 3.75Å; F238-W254 HydrophobicContact CE2-CE3 3.75Å; F238-W254 AromaticContact CE2-CZ3 3.87Å; F238-W254 HydrophobicContact CE2-CZ3 3.87Å; F238-W254 HydrophobicContact CG-CE3 4.41Å; F238-W254 HydrophobicContact CG-CZ3 4.06Å; F238-W254 AromaticContact CZ-CE3 3.53Å; F238-W254 HydrophobicContact CZ-CE3 3.53Å; F238-W254 HydrophobicContact CZ-CZ3 4.08Å; F238-R257 HydrophobicContact CE2-CB 3.73Å; F238-R257 HydrophobicContact CZ-CB 4.13Å; F238-I258 HydrophobicContact CE1-CD1 4.23Å; F238-I258 HydrophobicContact CE1-CG1 3.87Å; F238-I258 HydrophobicContact CE2-CG1 4.44Å; F238-I258 HydrophobicContact CZ-CD1 4.26Å; F238-I258 HydrophobicContact CZ-CG1 3.46Å; F238-I258 VanDerWaalsContact CZ-CG1 3.46Å
239	T	90.6	Very high	93	Very high	69 Å²	69	51.5 Å²	51.5	42%	0.423	26%	0.257	S	S	.	.			trans	-77.4	163	165.9	69.8	0	0	0	0	110.3	E241 M242 M243	T239-E241 VanDerWaalsContact C-N 3.26Å; T239-E241 PolarHBondContact O-N 3.01Å; T239-M242 HydrophobicContact CG2-SD 4Å; T239-M242 WeakPolarHBondContact O-CB 3.33Å; T239-M242 PolarHBondContact O-N 2.67Å; T239-M242 VanDerWaalsContact OG1-CG 3.23Å; T239-M242 WeakPolarHBondContact OG1-CG 3.48Å; T239-M242 PolarHBondContact OG1-N 2.68Å; T239-M242 PolarHBondContact OG1-SD 2.92Å; T239-M243 WeakPolarHBondContact O-CG 3.04Å; T239-M243 PolarHBondContact O-N 3.25Å
240	N	91.3	Very high	92.8	Very high	112 Å²	112	52 Å²	52	60%	0.599	26%	0.259	S	S	*	.	H	α-helix	trans	-56.5	-41.7	177.4	-163.9	54.1	0	0	0	112.2	M242 M243 H244	N240-M242 VanDerWaalsContact C-N 3.33Å; N240-M242 PolarHBondContact O-N 3.04Å; N240-M243 PolarHBondContact O-N 2.95Å; N240-H244 PolarHBondContact O-CD2 3.09Å
241	E	92.3	Very high	92.3	Very high	169 Å²	169	55 Å²	55	79%	0.79	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-40.4	175.5	-64.9	176.7	-177.5	0	0	112.2	T239 H244 R245	T239-E241 VanDerWaalsContact C-N 3.26Å; T239-E241 PolarHBondContact O-N 3.01Å; E241-H244 PolarHBondContact O-N 3.05Å; E241-R245 PolarHBondContact O-N 3.27Å
242	M	92.1	Very high	91.8	Very high	41 Å²	41	51.5 Å²	51.5	20%	0.202	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-38.2	178.1	-68.6	168.5	72.2	0	0	111.8	F238 T239 N240 H244 R245 F250 W254	F238-M242 HydrophobicContact CB-CB 4.44Å; F238-M242 HydrophobicContact CD1-CB 4.05Å; F238-M242 HydrophobicContact CD1-CE 4.44Å; T239-M242 HydrophobicContact CG2-SD 4Å; T239-M242 WeakPolarHBondContact O-CB 3.33Å; T239-M242 PolarHBondContact O-N 2.67Å; T239-M242 VanDerWaalsContact OG1-CG 3.23Å; T239-M242 WeakPolarHBondContact OG1-CG 3.48Å; T239-M242 PolarHBondContact OG1-N 2.68Å; T239-M242 PolarHBondContact OG1-SD 2.92Å; N240-M242 VanDerWaalsContact C-N 3.33Å; N240-M242 PolarHBondContact O-N 3.04Å; M242-H244 PolarHBondContact O-N 2.6Å; M242-H244 VanDerWaalsContact O-N 3.17Å; M242-R245 VanDerWaalsContact O-CB 3.31Å; M242-R245 WeakPolarHBondContact O-CB 3.43Å; M242-R245 PolarHBondContact O-N 3.04Å; M242-F250 HydrophobicContact CB-CE1 4.2Å; M242-F250 HydrophobicContact CB-CZ 4.03Å; M242-F250 HydrophobicContact CE-CE1 3.73Å; M242-F250 HydrophobicContact CG-CE1 4.47Å; M242-F250 VanDerWaalsContact O-CZ 3.27Å; M242-F250 WeakPolarHBondContact O-CZ 3.34Å; M242-W254 HydrophobicContact CE-CD2 3.88Å; M242-W254 HydrophobicContact CE-CE3 3.71Å; M242-W254 HydrophobicContact CE-CH2 3.43Å; M242-W254 VanDerWaalsContact CE-CH2 3.43Å; M242-W254 HydrophobicContact CE-CZ2 3.58Å; M242-W254 HydrophobicContact CE-CZ3 3.48Å; M242-W254 VanDerWaalsContact CE-CZ3 3.48Å; M242-W254 HydrophobicContact SD-CH2 4.49Å
243	M	95.1	Very high	91.3	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-57.6	-33.1	-179.6	-68.1	176.9	-162.9	0	0	113.1	A177 I178 A230 L233 F234 F238 T239 N240	A177-M243 PolarHBondContact N-O 3Å; I178-M243 HydrophobicContact CB-CB 4.38Å; I178-M243 PolarHBondContact N-O 3.19Å; A230-M243 HydrophobicContact CB-SD 3.96Å; A230-M243 VanDerWaalsContact O-CE 3.32Å; A230-M243 WeakPolarHBondContact O-CE 3.43Å; L233-M243 HydrophobicContact CB-CE 4.01Å; L233-M243 HydrophobicContact CB-CG 4.08Å; L233-M243 HydrophobicContact CB-SD 4.29Å; L233-M243 HydrophobicContact CD1-CG 4.1Å; F234-M243 HydrophobicContact CB-CE 3.7Å; F234-M243 HydrophobicContact CD2-CE 4.36Å; F238-M243 HydrophobicContact CB-CE 4.15Å; F238-M243 HydrophobicContact CB-CG 3.94Å; F238-M243 WeakPolarHBondContact O-CE 3.19Å; T239-M243 WeakPolarHBondContact O-CG 3.04Å; T239-M243 PolarHBondContact O-N 3.25Å; N240-M243 PolarHBondContact O-N 2.95Å
244	H	95.3	Very high	91.1	Very high	101 Å²	101	54.3 Å²	54.3	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-6.1	179	-61.5	-66	0	0	0	113.8	N240 E241 M242	N240-H244 PolarHBondContact O-CD2 3.09Å; E241-H244 PolarHBondContact O-N 3.05Å; M242-H244 PolarHBondContact O-N 2.6Å; M242-H244 VanDerWaalsContact O-N 3.17Å
245	R	94.7	Very high	91	Very high	117 Å²	117	50.7 Å²	50.7	44%	0.442	27%	0.266	S	S	.	.	S	Bend	trans	-75.5	142.7	176.8	-165.5	177.5	-175.6	-170	-6.8	110.9	S176 A177 E241 M242 D249 F250	S176-R245 WeakPolarHBondContact CA-O 2.88Å; A177-R245 PolarHBondContact N-O 3.2Å; A177-R245 VanDerWaalsContact N-O 3.1Å; E241-R245 PolarHBondContact O-N 3.27Å; M242-R245 VanDerWaalsContact O-CB 3.31Å; M242-R245 WeakPolarHBondContact O-CB 3.43Å; M242-R245 PolarHBondContact O-N 3.04Å; R245-D249 HydrophobicContact CG-CB 4.06Å; R245-D249 IonicContact CZ-OD2 3.96Å; R245-D249 IonicContact NE-OD2 3.77Å; R245-D249 PolarHBondContact NE-OD2 3.36Å; R245-D249 IonicContact NH2-OD2 3.22Å; R245-D249 PolarHBondContact NH2-OD2 3.37Å; R245-F250 HydrophobicContact CB-CE2 3.98Å; R245-F250 HydrophobicContact CB-CZ 4.01Å; R245-F250 HydrophobicContact CG-CE2 4.4Å
246	P	95	Very high	91	Very high	34 Å²	34	53 Å²	53	22%	0.221	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-63.2	147.5	177.9	26.6	-38.2	0	0	0	113.3	E174 K175 K248 D249 F250	E174-P246 VanDerWaalsContact O-CB 3.28Å; E174-P246 WeakPolarHBondContact O-CB 2.97Å; K175-P246 CarbonylContact O-C 3.58Å; K175-P246 WeakPolarHBondContact O-CA 3.38Å; P246-K248 VanDerWaalsContact C-N 3.28Å; P246-K248 HydrophobicContact CB-CG 4.25Å; P246-K248 PolarHBondContact O-N 2.89Å; P246-D249 HydrophobicContact CG-CB 4.28Å; P246-D249 WeakPolarHBondContact O-CB 3.27Å; P246-D249 PolarHBondContact O-N 2.8Å; P246-F250 WeakPolarHBondContact O-CD2 3.4Å
247	C	92.4	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-60.1	-34.6	-178.3	-67.7	0	0	0	0	113.2	M170 I173 K175 A180 D249 F250 R255 I258	M170-C247 HydrophobicContact CG-CB 4.37Å; I173-C247 CarbonylContact O-C 3.53Å; I173-C247 WeakPolarHBondContact O-CA 3.34Å; I173-C247 WeakPolarHBondContact O-CB 3.34Å; I173-C247 PolarHBondContact O-N 3.49Å; I173-C247 VanDerWaalsContact O-N 3.13Å; K175-C247 PolarHBondContact O-N 3.18Å; K175-C247 PolarHBondContact O-SG 2.83Å; A180-C247 VanDerWaalsContact CB-SG 3.52Å; C247-D249 PolarHBondContact O-N 3.24Å; C247-F250 PolarHBondContact O-N 2.84Å; C247-F250 VanDerWaalsContact O-N 3.17Å; C247-R255 WeakPolarHBondContact O-CD 3.2Å; C247-I258 HydrophobicContact CB-CD1 4.49Å
248	K	91.3	Very high	91.3	Very high	96 Å²	96	51.9 Å²	51.9	42%	0.417	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.1	-25.3	179.6	69.6	179.7	177	-177.9	0	114.2	A172 I173 E174 P246 F250	A172-K248 HydrophobicContact CB-CB 4.05Å; I173-K248 PolarHBondContact O-N 2.89Å; E174-K248 HydrophobicContact CG-CD 4.24Å; E174-K248 IonicContact OE1-NZ 3.25Å; E174-K248 PolarHBondContact OE1-NZ 2.8Å; P246-K248 VanDerWaalsContact C-N 3.28Å; P246-K248 HydrophobicContact CB-CG 4.25Å; P246-K248 PolarHBondContact O-N 2.89Å; K248-F250 VanDerWaalsContact C-N 3.34Å
249	D	91.7	Very high	91.4	Very high	72 Å²	72	52.2 Å²	52.2	39%	0.385	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-83.1	-13.3	-177.8	-82.9	23.1	0	0	0	113.6	R245 P246 C247	R245-D249 HydrophobicContact CG-CB 4.06Å; R245-D249 IonicContact CZ-OD2 3.96Å; R245-D249 IonicContact NE-OD2 3.77Å; R245-D249 PolarHBondContact NE-OD2 3.36Å; R245-D249 IonicContact NH2-OD2 3.22Å; R245-D249 PolarHBondContact NH2-OD2 3.37Å; P246-D249 HydrophobicContact CG-CB 4.28Å; P246-D249 WeakPolarHBondContact O-CB 3.27Å; P246-D249 PolarHBondContact O-N 2.8Å; C247-D249 PolarHBondContact O-N 3.24Å
250	F	89.1	Confident	91.6	Very high	10 Å²	10	49 Å²	49	4%	0.044	25%	0.247	C	C	.	.	S	Bend	trans	-84.7	147.3	179	-73.5	-77.5	0	0	0	111.4	A177 F238 M242 R245 P246 C247 K248 W254 R255 I258	A177-F250 HydrophobicContact CB-CE2 4.08Å; A177-F250 HydrophobicContact CB-CZ 4.47Å; F238-F250 HydrophobicContact CD1-CE1 4.24Å; F238-F250 HydrophobicContact CD1-CZ 4.14Å; F238-F250 HydrophobicContact CE1-CD1 4.39Å; F238-F250 AromaticContact CE1-CE1 3.8Å; F238-F250 HydrophobicContact CE1-CE1 3.8Å; F238-F250 HydrophobicContact CE1-CE2 4.43Å; F238-F250 AromaticContact CE1-CZ 3.81Å; F238-F250 HydrophobicContact CE1-CZ 3.81Å; M242-F250 HydrophobicContact CB-CE1 4.2Å; M242-F250 HydrophobicContact CB-CZ 4.03Å; M242-F250 HydrophobicContact CE-CE1 3.73Å; M242-F250 HydrophobicContact CG-CE1 4.47Å; M242-F250 VanDerWaalsContact O-CZ 3.27Å; M242-F250 WeakPolarHBondContact O-CZ 3.34Å; R245-F250 HydrophobicContact CB-CE2 3.98Å; R245-F250 HydrophobicContact CB-CZ 4.01Å; R245-F250 HydrophobicContact CG-CE2 4.4Å; P246-F250 WeakPolarHBondContact O-CD2 3.4Å; C247-F250 PolarHBondContact O-N 2.84Å; C247-F250 VanDerWaalsContact O-N 3.17Å; K248-F250 VanDerWaalsContact C-N 3.34Å; F250-W254 HydrophobicContact CB-CB 3.78Å; F250-W254 HydrophobicContact CD1-CB 3.57Å; F250-W254 HydrophobicContact CD1-CD2 4.34Å; F250-W254 AromaticContact CD1-CG 3.87Å; F250-W254 HydrophobicContact CD1-CG 3.87Å; F250-W254 HydrophobicContact CG-CB 4.02Å; F250-R255 HydrophobicContact CB-CG 3.81Å; F250-R255 PolarHBondContact O-NH1 3.07Å; F250-I258 HydrophobicContact CD2-CD1 4.04Å; F250-I258 HydrophobicContact CE2-CD1 4.33Å; F250-I258 HydrophobicContact CG-CD1 4.5Å
251	S	85.1	Confident	91.8	Very high	74 Å²	74	43.7 Å²	43.7	52%	0.517	22%	0.218	S	C	.	.			trans	-67.8	161.9	168	70.7	0	0	0	0	111	G253 W254 R255	S251-G253 VanDerWaalsContact C-N 3.29Å; S251-G253 PolarHBondContact O-N 2.73Å; S251-W254 PolarHBondContact O-N 3.38Å; S251-R255 WeakPolarHBondContact O-CG 3.3Å; S251-R255 PolarHBondContact O-N 2.89Å
252	G	82.2	Confident	91.9	Very high	20 Å²	20	38.3 Å²	38.3	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-53.2	-42.8	-179.1	0	0	0	0	0	113.9	E169 W254 R255 M256	E169-G252 VanDerWaalsContact OE2-C 3.3Å; E169-G252 WeakPolarHBondContact OE2-CA 3.47Å; G252-W254 PolarHBondContact O-N 3.45Å; G252-R255 CarbonylContact O-C 3.56Å; G252-R255 WeakPolarHBondContact O-CA 3.46Å; G252-R255 WeakPolarHBondContact O-CB 3.46Å; G252-R255 PolarHBondContact O-N 2.86Å; G252-R255 VanDerWaalsContact O-N 3.11Å; G252-M256 PolarHBondContact O-N 3.07Å
253	G	85	Confident	92	Very high	16 Å²	16	36.3 Å²	36.3	17%	0.165	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-43.5	175.1	0	0	0	0	0	113.5	S251 M256 R257	S251-G253 VanDerWaalsContact C-N 3.29Å; S251-G253 PolarHBondContact O-N 2.73Å; G253-M256 WeakPolarHBondContact O-CB 3.4Å; G253-M256 PolarHBondContact O-N 3.41Å; G253-R257 WeakPolarHBondContact O-CG 3.41Å; G253-R257 PolarHBondContact O-N 3.31Å; G253-R257 VanDerWaalsContact O-N 3.11Å
254	W	90.2	Very high	92	Very high	53 Å²	53	36.6 Å²	36.6	20%	0.201	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-38.2	174.1	-80.6	105.8	0	0	0	111.8	G237 F238 M242 F250 S251 G252 M256 R257 I258	G237-W254 WeakPolarHBondContact O-CH2 3.32Å; F238-W254 HydrophobicContact CD1-CE3 4.26Å; F238-W254 HydrophobicContact CD1-CZ3 4.29Å; F238-W254 HydrophobicContact CD2-CE3 4.17Å; F238-W254 AromaticContact CD2-CZ3 3.85Å; F238-W254 HydrophobicContact CD2-CZ3 3.85Å; F238-W254 AromaticContact CE1-CE3 3.82Å; F238-W254 HydrophobicContact CE1-CE3 3.82Å; F238-W254 HydrophobicContact CE1-CZ3 4.29Å; F238-W254 AromaticContact CE2-CE3 3.75Å; F238-W254 HydrophobicContact CE2-CE3 3.75Å; F238-W254 AromaticContact CE2-CZ3 3.87Å; F238-W254 HydrophobicContact CE2-CZ3 3.87Å; F238-W254 HydrophobicContact CG-CE3 4.41Å; F238-W254 HydrophobicContact CG-CZ3 4.06Å; F238-W254 AromaticContact CZ-CE3 3.53Å; F238-W254 HydrophobicContact CZ-CE3 3.53Å; F238-W254 HydrophobicContact CZ-CZ3 4.08Å; M242-W254 HydrophobicContact CE-CD2 3.88Å; M242-W254 HydrophobicContact CE-CE3 3.71Å; M242-W254 HydrophobicContact CE-CH2 3.43Å; M242-W254 VanDerWaalsContact CE-CH2 3.43Å; M242-W254 HydrophobicContact CE-CZ2 3.58Å; M242-W254 HydrophobicContact CE-CZ3 3.48Å; M242-W254 VanDerWaalsContact CE-CZ3 3.48Å; M242-W254 HydrophobicContact SD-CH2 4.49Å; F250-W254 HydrophobicContact CB-CB 3.78Å; F250-W254 HydrophobicContact CD1-CB 3.57Å; F250-W254 HydrophobicContact CD1-CD2 4.34Å; F250-W254 AromaticContact CD1-CG 3.87Å; F250-W254 HydrophobicContact CD1-CG 3.87Å; F250-W254 HydrophobicContact CG-CB 4.02Å; S251-W254 PolarHBondContact O-N 3.38Å; G252-W254 PolarHBondContact O-N 3.45Å; W254-M256 VanDerWaalsContact C-N 3.3Å; W254-M256 PolarHBondContact O-N 3.07Å; W254-R257 WeakPolarHBondContact O-CA 3.49Å; W254-R257 WeakPolarHBondContact O-CB 3.44Å; W254-R257 PolarHBondContact O-N 2.85Å; W254-R257 VanDerWaalsContact O-N 3.08Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 2.86Å
255	R	91.6	Very high	92	Very high	45 Å²	45	32.1 Å²	32.1	17%	0.17	16%	0.162	C	C	.	.	H	α-helix	trans	-64.9	-33.2	174.3	-68.4	-167.9	-53.4	-119	7.2	112.5	E169 M170 C247 F250 S251 G252 R257 I258 S259	E169-R255 HydrophobicContact CB-CB 4.07Å; E169-R255 IonicContact OE1-CZ 3.86Å; E169-R255 IonicContact OE1-NE 3.85Å; E169-R255 PolarHBondContact OE1-NE 3.01Å; E169-R255 IonicContact OE1-NH2 2.73Å; E169-R255 PolarHBondContact OE1-NH2 2.96Å; M170-R255 HydrophobicContact CB-CB 4.03Å; M170-R255 VanDerWaalsContact CB-O 3.22Å; M170-R255 WeakPolarHBondContact CB-O 3.46Å; M170-R255 PolarHBondContact N-O 3.13Å; M170-R255 WeakPolarHBondContact O-CB 3.33Å; M170-R255 WeakPolarHBondContact O-CD 3.37Å; M170-R255 PolarHBondContact O-NE 3.45Å; C247-R255 WeakPolarHBondContact O-CD 3.2Å; F250-R255 HydrophobicContact CB-CG 3.81Å; F250-R255 PolarHBondContact O-NH1 3.07Å; S251-R255 WeakPolarHBondContact O-CG 3.3Å; S251-R255 PolarHBondContact O-N 2.89Å; G252-R255 CarbonylContact O-C 3.56Å; G252-R255 WeakPolarHBondContact O-CA 3.46Å; G252-R255 WeakPolarHBondContact O-CB 3.46Å; G252-R255 PolarHBondContact O-N 2.86Å; G252-R255 VanDerWaalsContact O-N 3.11Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R255-I258 PolarHBondContact O-N 2.91Å; R255-S259 PolarHBondContact O-N 3.21Å
256	M	91	Very high	91.8	Very high	49 Å²	49	29.6 Å²	29.6	24%	0.241	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-40.4	170	-172.7	60.4	77.8	0	0	111.1	L166 E169 G252 G253 W254 I258 S259 L260	L166-M256 HydrophobicContact CD1-SD 4.35Å; E169-M256 HydrophobicContact CB-CB 4.23Å; E169-M256 HydrophobicContact CB-CE 4.08Å; E169-M256 VanDerWaalsContact N-CE 3.34Å; G252-M256 PolarHBondContact O-N 3.07Å; G253-M256 WeakPolarHBondContact O-CB 3.4Å; G253-M256 PolarHBondContact O-N 3.41Å; W254-M256 VanDerWaalsContact C-N 3.3Å; W254-M256 PolarHBondContact O-N 3.07Å; M256-I258 VanDerWaalsContact C-N 3.34Å; M256-I258 PolarHBondContact O-N 2.92Å; M256-S259 WeakPolarHBondContact O-CB 3.41Å; M256-S259 PolarHBondContact O-N 3.24Å; M256-S259 VanDerWaalsContact O-N 3.12Å; M256-L260 PolarHBondContact O-N 2.83Å
257	R	93.8	Very high	91.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-62	-38.6	173.1	-58	-170.6	-175.3	-164	-0.5	112.7	L236 F238 G253 W254 R255 S259 L260 A261 H279 L280 D281 N453	L236-R257 WeakPolarHBondContact CD1-O 3.41Å; L236-R257 WeakPolarHBondContact O-CD 3.39Å; L236-R257 PolarHBondContact O-NH1 3.05Å; F238-R257 HydrophobicContact CE2-CB 3.73Å; F238-R257 HydrophobicContact CZ-CB 4.13Å; G253-R257 WeakPolarHBondContact O-CG 3.41Å; G253-R257 PolarHBondContact O-N 3.31Å; G253-R257 VanDerWaalsContact O-N 3.11Å; W254-R257 WeakPolarHBondContact O-CA 3.49Å; W254-R257 WeakPolarHBondContact O-CB 3.44Å; W254-R257 PolarHBondContact O-N 2.85Å; W254-R257 VanDerWaalsContact O-N 3.08Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R257-S259 VanDerWaalsContact C-N 3.31Å; R257-L260 PolarHBondContact O-N 3.37Å; R257-A261 WeakPolarHBondContact O-CB 3.39Å; R257-A261 PolarHBondContact O-N 2.81Å; R257-H279 PolarHBondContact NE-O 3.34Å; R257-H279 PolarHBondContact NH2-O 3.1Å; R257-L280 HydrophobicContact CG-CD2 3.6Å; R257-D281 VanDerWaalsContact NH2-N 3.18Å; R257-N453 PolarHBondContact NH2-ND2 2.93Å
258	I	95	Very high	91.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.1	-58.2	175.4	0	0	0	110.3	M170 A177 A180 V181 F238 C247 F250 W254 R255 M256 A261 R262	M170-I258 HydrophobicContact CB-CB 4.04Å; M170-I258 HydrophobicContact CB-CG2 4.14Å; M170-I258 HydrophobicContact CG-CB 4.39Å; M170-I258 HydrophobicContact CG-CG2 3.99Å; A177-I258 HydrophobicContact CB-CD1 3.7Å; A177-I258 HydrophobicContact CB-CG1 4.15Å; A180-I258 HydrophobicContact CB-CG2 4.05Å; V181-I258 HydrophobicContact CG2-CG2 4.13Å; F238-I258 HydrophobicContact CE1-CD1 4.23Å; F238-I258 HydrophobicContact CE1-CG1 3.87Å; F238-I258 HydrophobicContact CE2-CG1 4.44Å; F238-I258 HydrophobicContact CZ-CD1 4.26Å; F238-I258 HydrophobicContact CZ-CG1 3.46Å; F238-I258 VanDerWaalsContact CZ-CG1 3.46Å; C247-I258 HydrophobicContact CB-CD1 4.49Å; F250-I258 HydrophobicContact CD2-CD1 4.04Å; F250-I258 HydrophobicContact CE2-CD1 4.33Å; F250-I258 HydrophobicContact CG-CD1 4.5Å; W254-I258 WeakPolarHBondContact O-CG1 3.37Å; W254-I258 PolarHBondContact O-N 2.86Å; R255-I258 PolarHBondContact O-N 2.91Å; M256-I258 VanDerWaalsContact C-N 3.34Å; M256-I258 PolarHBondContact O-N 2.92Å; I258-A261 WeakPolarHBondContact O-CB 3.41Å; I258-A261 PolarHBondContact O-N 3.13Å; I258-R262 WeakPolarHBondContact O-CG 3.28Å; I258-R262 PolarHBondContact O-N 2.87Å
259	S	93.9	Very high	91.8	Very high	8 Å²	8	30.2 Å²	30.2	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-42.2	177.7	-160.2	0	0	0	0	111.9	L166 R168 R255 M256 R257 A261 R262 A263	L166-S259 VanDerWaalsContact CD1-C 3.47Å; L166-S259 WeakPolarHBondContact CD1-OG 3.43Å; R168-S259 VanDerWaalsContact O-CB 3.23Å; R168-S259 WeakPolarHBondContact O-CB 3.34Å; R168-S259 PolarHBondContact O-OG 3.44Å; R255-S259 PolarHBondContact O-N 3.21Å; M256-S259 WeakPolarHBondContact O-CB 3.41Å; M256-S259 PolarHBondContact O-N 3.24Å; M256-S259 VanDerWaalsContact O-N 3.12Å; R257-S259 VanDerWaalsContact C-N 3.31Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 3.05Å; S259-R262 WeakPolarHBondContact O-CB 3.49Å; S259-R262 PolarHBondContact O-N 3.32Å; S259-A263 PolarHBondContact O-N 3.28Å; S259-A263 VanDerWaalsContact O-N 3.1Å
260	L	95.2	Very high	92.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-42.4	171.5	179.2	61.3	0	0	0	111.6	L166 L236 M256 R257 R262 A263 L264 L273 P276 L280 L288	L166-L260 HydrophobicContact CD2-CB 3.77Å; L166-L260 HydrophobicContact CD2-CD1 3.52Å; L166-L260 HydrophobicContact CD2-CG 4.21Å; L236-L260 HydrophobicContact CD1-CB 4.45Å; L236-L260 HydrophobicContact CD1-CD2 4.37Å; L236-L260 HydrophobicContact CD1-CG 4.3Å; L236-L260 HydrophobicContact CD2-CD2 3.79Å; L236-L260 HydrophobicContact CD2-CG 4.48Å; M256-L260 PolarHBondContact O-N 2.83Å; R257-L260 PolarHBondContact O-N 3.37Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.2Å; L260-A263 WeakPolarHBondContact O-CB 3.27Å; L260-A263 PolarHBondContact O-N 3.23Å; L260-L264 HydrophobicContact CD1-CD1 4.38Å; L260-L264 HydrophobicContact CD1-CG 4.34Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 WeakPolarHBondContact O-CG 3.41Å; L260-L264 PolarHBondContact O-N 3.35Å; L260-L273 HydrophobicContact CD1-CD1 4.42Å; L260-L273 HydrophobicContact CD1-CD2 4.15Å; L260-P276 HydrophobicContact CD1-CB 4.33Å; L260-L280 HydrophobicContact CD2-CD1 4.13Å; L260-L288 HydrophobicContact CD1-CD1 4.24Å; L260-L288 HydrophobicContact CD2-CD1 4.02Å; L260-L288 HydrophobicContact CD2-CD2 3.87Å; L260-L288 HydrophobicContact CG-CD1 4.4Å
261	A	95.8	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-41.8	175.3	0	0	0	0	0	112	V181 I232 L233 L236 R257 I258 S259 A263 L264 F265	V181-A261 HydrophobicContact CG1-CB 4.39Å; V181-A261 HydrophobicContact CG2-CB 3.56Å; I232-A261 HydrophobicContact CG2-CB 3.69Å; L233-A261 HydrophobicContact CD2-CB 3.79Å; L233-A261 HydrophobicContact CG-CB 4.33Å; L236-A261 HydrophobicContact CD1-CB 3.76Å; R257-A261 WeakPolarHBondContact O-CB 3.39Å; R257-A261 PolarHBondContact O-N 2.81Å; I258-A261 WeakPolarHBondContact O-CB 3.41Å; I258-A261 PolarHBondContact O-N 3.13Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 3.05Å; A261-A263 PolarHBondContact O-N 3.05Å; A261-L264 PolarHBondContact O-N 3.4Å; A261-F265 VanDerWaalsContact O-CB 3.24Å; A261-F265 WeakPolarHBondContact O-CB 3.09Å; A261-F265 PolarHBondContact O-N 2.82Å
262	R	94.7	Very high	93.1	Very high	55 Å²	55	22.8 Å²	22.8	21%	0.208	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-46.6	174	-71.6	171.8	79.5	-157.5	-3.2	111.6	M170 A180 V181 V184 I258 S259 L260 L264 F265 L266	M170-R262 PolarHBondContact SD-NH1 3.01Å; A180-R262 VanDerWaalsContact O-CD 3.31Å; A180-R262 WeakPolarHBondContact O-CD 3.3Å; A180-R262 WeakPolarHBondContact O-CG 3.22Å; A180-R262 PolarHBondContact O-NE 3.15Å; V181-R262 HydrophobicContact CB-CG 4.44Å; V181-R262 HydrophobicContact CG2-CG 4.27Å; V184-R262 HydrophobicContact CB-CB 4.2Å; V184-R262 HydrophobicContact CB-CG 4.3Å; V184-R262 HydrophobicContact CG1-CB 4.29Å; V184-R262 HydrophobicContact CG2-CB 4.26Å; I258-R262 WeakPolarHBondContact O-CG 3.28Å; I258-R262 PolarHBondContact O-N 2.87Å; S259-R262 WeakPolarHBondContact O-CB 3.49Å; S259-R262 PolarHBondContact O-N 3.32Å; L260-R262 VanDerWaalsContact C-N 3.32Å; L260-R262 PolarHBondContact O-N 3.2Å; R262-L264 PolarHBondContact O-N 2.99Å; R262-F265 PolarHBondContact O-N 3.37Å; R262-L266 WeakPolarHBondContact O-CB 3.41Å; R262-L266 PolarHBondContact O-N 3.47Å
263	A	94.1	Very high	93.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.3	-43.9	179	0	0	0	0	0	112.1	Y164 S259 L260 A261 R267 L271	Y164-A263 HydrophobicContact CD1-CB 3.6Å; Y164-A263 HydrophobicContact CE1-CB 3.42Å; Y164-A263 VanDerWaalsContact CE1-CB 3.42Å; S259-A263 PolarHBondContact O-N 3.28Å; S259-A263 VanDerWaalsContact O-N 3.1Å; L260-A263 WeakPolarHBondContact O-CB 3.27Å; L260-A263 PolarHBondContact O-N 3.23Å; A261-A263 PolarHBondContact O-N 3.05Å; A263-R267 PolarHBondContact O-N 3.31Å; A263-L271 HydrophobicContact CB-CD1 3.91Å
264	L	95.1	Very high	94.1	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	10%	0.103	C	C	.	.	H	α-helix	trans	-70.6	-31.4	177.8	-66.3	174.1	0	0	0	113.1	I232 L260 A261 R262 R267 W287 L288 L292	I232-L264 HydrophobicContact CD1-CB 4.29Å; I232-L264 HydrophobicContact CG2-CB 4.08Å; I232-L264 HydrophobicContact CG2-CD1 4.11Å; L260-L264 HydrophobicContact CD1-CD1 4.38Å; L260-L264 HydrophobicContact CD1-CG 4.34Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 WeakPolarHBondContact O-CG 3.41Å; L260-L264 PolarHBondContact O-N 3.35Å; A261-L264 PolarHBondContact O-N 3.4Å; R262-L264 PolarHBondContact O-N 2.99Å; L264-R267 WeakPolarHBondContact O-CG 3.23Å; L264-W287 HydrophobicContact CD1-CH2 4.3Å; L264-W287 HydrophobicContact CD1-CZ3 3.92Å; L264-L288 HydrophobicContact CD1-CD1 3.79Å; L264-L288 HydrophobicContact CD2-CD1 4.32Å; L264-L292 HydrophobicContact CD2-CD2 3.68Å; L264-L292 HydrophobicContact CD2-CG 4.49Å
265	F	94.6	Very high	94.1	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-71.2	-46.1	176.9	179.7	-99.3	0	0	0	111.4	V181 M182 V184 D185 A225 R228 A229 I232 A261 R262 R267	V181-F265 HydrophobicContact CG1-CB 3.62Å; V181-F265 HydrophobicContact CG1-CD1 4.36Å; V181-F265 HydrophobicContact CG1-CD2 4.17Å; V181-F265 HydrophobicContact CG1-CG 3.8Å; M182-F265 HydrophobicContact CG-CZ 4.44Å; V184-F265 HydrophobicContact CG1-CD1 3.86Å; D185-F265 HydrophobicContact CB-CE1 3.97Å; A225-F265 HydrophobicContact CB-CE2 4.43Å; A225-F265 HydrophobicContact CB-CZ 3.98Å; A225-F265 WeakPolarHBondContact O-CE2 3.31Å; R228-F265 HydrophobicContact CB-CD2 4.37Å; R228-F265 HydrophobicContact CB-CE2 4.08Å; A229-F265 HydrophobicContact CB-CD2 4.18Å; A229-F265 HydrophobicContact CB-CE2 4.18Å; I232-F265 HydrophobicContact CD1-CB 3.94Å; I232-F265 HydrophobicContact CD1-CD2 4.27Å; A261-F265 VanDerWaalsContact O-CB 3.24Å; A261-F265 WeakPolarHBondContact O-CB 3.09Å; A261-F265 PolarHBondContact O-N 2.82Å; R262-F265 PolarHBondContact O-N 3.37Å; F265-R267 VanDerWaalsContact C-N 3.35Å; F265-R267 PolarHBondContact O-N 3.44Å
266	L	91.8	Very high	94.1	Very high	64 Å²	64	20.2 Å²	20.2	34%	0.335	9%	0.094	S	C	.	.	H	α-helix	trans	-65.5	-36.9	-179.6	-174.2	66	0	0	0	112.4	Y164 V184 R262	Y164-L266 HydrophobicContact CD2-CD2 3.59Å; Y164-L266 HydrophobicContact CE2-CD2 4.1Å; Y164-L266 HydrophobicContact CG-CD2 4.4Å; V184-L266 HydrophobicContact CG1-CB 4.08Å; V184-L266 HydrophobicContact CG1-CD1 4.48Å; V184-L266 HydrophobicContact CG2-CD2 4.41Å; R262-L266 WeakPolarHBondContact O-CB 3.41Å; R262-L266 PolarHBondContact O-N 3.47Å
267	R	90.9	Very high	94	Very high	123 Å²	123	18.8 Å²	18.8	46%	0.464	9%	0.089	S	C	.	.			trans	48.5	62.7	-176.7	-58.9	-175.9	171.5	168.9	-4.5	112	A263 L264 F265 R297	A263-R267 PolarHBondContact O-N 3.31Å; L264-R267 WeakPolarHBondContact O-CG 3.23Å; F265-R267 VanDerWaalsContact C-N 3.35Å; F265-R267 PolarHBondContact O-N 3.44Å; R267-R297 PolarHBondContact O-NH1 3.02Å
268	P	93.7	Very high	93.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.013	10%	0.1	C	C	.	.			trans	-61.3	173.4	-177.6	33.8	-44.8	0	0	0	113.1	D162 L271 Y295 R297	D162-P268 HydrophobicContact CB-CB 4.33Å; D162-P268 WeakPolarHBondContact O-CB 3.43Å; P268-L271 HydrophobicContact CG-CB 3.83Å; P268-L271 HydrophobicContact CG-CD1 4.08Å; P268-L271 HydrophobicContact CG-CG 4.5Å; P268-Y295 PolarHBondContact O-OH 3.47Å; P268-R297 WeakPolarHBondContact O-CD 3.43Å; P268-R297 PolarHBondContact O-NH1 2.84Å
269	C	94.4	Very high	92.8	Very high	19 Å²	19	25.1 Å²	25.1	13%	0.128	12%	0.12	C	C	.	.	S	Bend	trans	-68.6	-38.6	173.9	-73.6	0	0	0	0	112.5	W129 F161 D162 R297 I298	W129-C269 HydrophobicContact CZ3-CB 4.24Å; F161-C269 HydrophobicContact CD1-CB 4.11Å; D162-C269 PolarHBondContact O-N 3.28Å; C269-R297 WeakPolarHBondContact O-CB 3.46Å; C269-I298 PolarHBondContact O-N 3.28Å; C269-I298 VanDerWaalsContact O-N 3.13Å
270	L	96.8	Very high	92.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	110.4	175.2	176.3	57.6	0	0	0	109.8	I105 L127 I150 D162 I163 Y164 L272 I298 V300	I105-L270 HydrophobicContact CD1-CD2 4.06Å; L127-L270 HydrophobicContact CD1-CD1 4.19Å; L127-L270 HydrophobicContact CD1-CD2 4.3Å; I150-L270 HydrophobicContact CG2-CD2 3.55Å; D162-L270 PolarHBondContact O-N 3.21Å; I163-L270 WeakPolarHBondContact CA-O 3.37Å; I163-L270 HydrophobicContact CD1-CD2 4.2Å; I163-L270 HydrophobicContact CG1-CB 4.23Å; I163-L270 HydrophobicContact CG1-CD2 4.14Å; I163-L270 HydrophobicContact CG2-CB 4.29Å; I163-L270 HydrophobicContact CG2-CD2 4.04Å; I163-L270 HydrophobicContact CG2-CG 4.06Å; Y164-L270 PolarHBondContact N-O 2.78Å; L270-L272 HydrophobicContact CD1-CD2 3.73Å; L270-L272 HydrophobicContact CD2-CD2 4.23Å; L270-L272 HydrophobicContact CG-CD2 3.81Å; L270-L272 HydrophobicContact CG-CG 4.25Å; L270-I298 WeakPolarHBondContact CA-O 3.46Å; L270-I298 HydrophobicContact CD1-CB 3.75Å; L270-I298 HydrophobicContact CD1-CG2 3.39Å; L270-V300 HydrophobicContact CD1-CG2 4.13Å
271	L	97.6	Very high	92	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.3	175.4	-179.6	57.6	0	0	0	110.1	Y164 A263 P268 L273 L292 Y295 I298 L299 V300	Y164-L271 HydrophobicContact CD1-CD1 4.2Å; A263-L271 HydrophobicContact CB-CD1 3.91Å; P268-L271 HydrophobicContact CG-CB 3.83Å; P268-L271 HydrophobicContact CG-CD1 4.08Å; P268-L271 HydrophobicContact CG-CG 4.5Å; L271-L273 HydrophobicContact CD1-CD2 3.82Å; L271-L273 HydrophobicContact CD1-CG 4.38Å; L271-L273 HydrophobicContact CD2-CD1 4.34Å; L271-L273 HydrophobicContact CD2-CD2 4.33Å; L271-L273 HydrophobicContact CD2-CG 4.38Å; L271-L273 HydrophobicContact CG-CD2 4.02Å; L271-L273 HydrophobicContact CG-CG 4.05Å; L271-L292 HydrophobicContact CD2-CD2 4.35Å; L271-Y295 HydrophobicContact CB-CE1 4.17Å; L271-Y295 WeakPolarHBondContact CB-OH 3.46Å; L271-Y295 HydrophobicContact CD2-CE2 3.95Å; L271-I298 PolarHBondContact N-O 3.17Å; L271-L299 HydrophobicContact CB-CD1 3.95Å; L271-L299 HydrophobicContact CD2-CD1 3.92Å; L271-L299 HydrophobicContact CG-CD1 3.84Å; L271-L299 WeakPolarHBondContact O-CA 3.23Å; L271-V300 PolarHBondContact O-N 2.99Å
272	L	97.8	Very high	91.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.8	177.4	-50.6	178	0	0	0	108.8	L147 I150 A151 I163 Y164 L165 L166 L270 V300	L147-L272 HydrophobicContact CB-CD1 4.47Å; L147-L272 HydrophobicContact CD2-CB 4.27Å; L147-L272 HydrophobicContact CD2-CD1 4.48Å; L147-L272 HydrophobicContact CD2-CD2 4.15Å; L147-L272 WeakPolarHBondContact O-CD1 3.36Å; I150-L272 HydrophobicContact CB-CD1 4.03Å; I150-L272 HydrophobicContact CG2-CD1 3.76Å; I150-L272 HydrophobicContact CG2-CD2 4.39Å; A151-L272 HydrophobicContact CB-CD1 4.1Å; I163-L272 HydrophobicContact CG2-CD1 3.89Å; I163-L272 HydrophobicContact CG2-CG 4.23Å; Y164-L272 PolarHBondContact O-N 3.4Å; L165-L272 HydrophobicContact CB-CB 4.33Å; L165-L272 HydrophobicContact CB-CD1 4.41Å; L165-L272 HydrophobicContact CD1-CB 3.64Å; L165-L272 HydrophobicContact CD1-CD1 4.41Å; L166-L272 PolarHBondContact N-O 2.88Å; L270-L272 HydrophobicContact CD1-CD2 3.73Å; L270-L272 HydrophobicContact CD2-CD2 4.23Å; L270-L272 HydrophobicContact CG-CD2 3.81Å; L270-L272 HydrophobicContact CG-CG 4.25Å; L272-V300 WeakPolarHBondContact CA-O 3.49Å; L272-V300 HydrophobicContact CD2-CB 3.64Å; L272-V300 HydrophobicContact CD2-CG2 3.78Å
273	L	96.2	Very high	91.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.6	178.8	-57.7	180	0	0	0	109.5	L166 L260 L271 P276 L292 L299 V300 I301 V302	L166-L273 HydrophobicContact CB-CD2 3.58Å; L166-L273 HydrophobicContact CD2-CD2 3.76Å; L166-L273 HydrophobicContact CG-CD2 4.33Å; L260-L273 HydrophobicContact CD1-CD1 4.42Å; L260-L273 HydrophobicContact CD1-CD2 4.15Å; L271-L273 HydrophobicContact CD1-CD2 3.82Å; L271-L273 HydrophobicContact CD1-CG 4.38Å; L271-L273 HydrophobicContact CD2-CD1 4.34Å; L271-L273 HydrophobicContact CD2-CD2 4.33Å; L271-L273 HydrophobicContact CD2-CG 4.38Å; L271-L273 HydrophobicContact CG-CD2 4.02Å; L271-L273 HydrophobicContact CG-CG 4.05Å; L273-P276 HydrophobicContact CB-CB 4.12Å; L273-P276 HydrophobicContact CB-CG 3.89Å; L273-P276 HydrophobicContact CD1-CB 4.2Å; L273-P276 HydrophobicContact CD1-CG 4.12Å; L273-L292 HydrophobicContact CD1-CD1 3.74Å; L273-L292 HydrophobicContact CD1-CD2 4.04Å; L273-L299 HydrophobicContact CD1-CD1 4.13Å; L273-L299 HydrophobicContact CG-CD1 4.31Å; L273-V300 PolarHBondContact N-O 2.78Å; L273-I301 HydrophobicContact CB-CG1 4.23Å; L273-I301 HydrophobicContact CD1-CG1 4.25Å; L273-I301 CarbonylContact O-C 3.59Å; L273-I301 WeakPolarHBondContact O-CA 3.4Å; L273-V302 PolarHBondContact O-N 2.93Å
274	D	92.9	Very high	91.2	Very high	43 Å²	43	25.5 Å²	25.5	23%	0.23	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.5	174.3	-158.3	-4.4	0	0	0	109.8	S144 L147 V302	S144-D274 WeakPolarHBondContact CB-OD2 3.5Å; S144-D274 PolarHBondContact OG-OD2 2.79Å; L147-D274 HydrophobicContact CD1-CB 3.87Å; D274-V302 WeakPolarHBondContact OD1-CB 3.42Å; D274-V302 WeakPolarHBondContact OD1-CG1 3.16Å
275	E	90.2	Very high	91.1	Very high	25 Å²	25	25.3 Å²	25.3	12%	0.117	12%	0.123	C	C	.	.	S	Bend	trans	45.4	55.5	-176.5	-62.5	-62.8	151.2	0	0	114.7	T277 N278 V302 S303 H304	E275-T277 PolarHBondContact O-N 2.62Å; E275-T277 VanDerWaalsContact O-N 3.08Å; E275-N278 VanDerWaalsContact CB-ND2 3.29Å; E275-N278 WeakPolarHBondContact CB-ND2 3.19Å; E275-N278 WeakPolarHBondContact O-CB 3.12Å; E275-N278 PolarHBondContact O-N 2.62Å; E275-N278 VanDerWaalsContact O-N 3.11Å; E275-V302 VanDerWaalsContact CA-O 3.32Å; E275-V302 WeakPolarHBondContact CA-O 3.42Å; E275-V302 PolarHBondContact N-O 2.87Å; E275-S303 VanDerWaalsContact CD-CA 3.5Å; E275-S303 WeakPolarHBondContact OE1-CA 3.38Å; E275-S303 PolarHBondContact OE1-N 3.37Å; E275-S303 WeakPolarHBondContact OE2-CA 3.37Å; E275-H304 VanDerWaalsContact CD-CD2 3.48Å; E275-H304 IonicContact OE1-CD2 3.61Å; E275-H304 PolarHBondContact OE1-CD2 2.93Å; E275-H304 IonicContact OE1-CG 2.73Å; E275-H304 PolarHBondContact OE1-N 2.88Å; E275-H304 IonicContact OE1-NE2 3.13Å; E275-H304 IonicContact OE2-CD2 3.32Å; E275-H304 PolarHBondContact OE2-N 3.24Å
276	P	91.2	Very high	91	Very high	11 Å²	11	25 Å²	25	7%	0.071	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.3	-173.4	30.7	-38	0	0	0	114	L260 L273 N278 L280 L288 I301 F308	L260-P276 HydrophobicContact CD1-CB 4.33Å; L273-P276 HydrophobicContact CB-CB 4.12Å; L273-P276 HydrophobicContact CB-CG 3.89Å; L273-P276 HydrophobicContact CD1-CB 4.2Å; L273-P276 HydrophobicContact CD1-CG 4.12Å; P276-N278 VanDerWaalsContact C-N 3.3Å; P276-L280 WeakPolarHBondContact O-CD1 3.33Å; P276-L288 HydrophobicContact CB-CD2 4.18Å; P276-L288 HydrophobicContact CG-CD2 4.48Å; P276-I301 HydrophobicContact CG-CG2 4.36Å; P276-F308 HydrophobicContact CG-CE1 4Å; P276-F308 HydrophobicContact CG-CZ 4.24Å
277	T	88.2	Confident	91.1	Very high	20 Å²	20	22.4 Å²	22.4	12%	0.123	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-14.8	177.3	49.4	0	0	0	0	112.7	E275 H279 L280 F308	E275-T277 PolarHBondContact O-N 2.62Å; E275-T277 VanDerWaalsContact O-N 3.08Å; T277-H279 PolarHBondContact O-N 2.69Å; T277-L280 WeakPolarHBondContact O-CB 3.47Å; T277-L280 PolarHBondContact O-N 3.06Å; T277-L280 VanDerWaalsContact O-N 3.12Å; T277-F308 HydrophobicContact CG2-CB 4.38Å; T277-F308 HydrophobicContact CG2-CD1 3.92Å; T277-F308 HydrophobicContact CG2-CD2 3.75Å; T277-F308 HydrophobicContact CG2-CE1 4.02Å; T277-F308 HydrophobicContact CG2-CE2 3.86Å; T277-F308 HydrophobicContact CG2-CG 3.76Å; T277-F308 HydrophobicContact CG2-CZ 3.98Å
278	N	82.9	Confident	91.3	Very high	48 Å²	48	16.6 Å²	16.6	26%	0.257	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133	177.9	-71.3	-12.4	0	0	0	110.2	E275 P276 L280	E275-N278 VanDerWaalsContact CB-ND2 3.29Å; E275-N278 WeakPolarHBondContact CB-ND2 3.19Å; E275-N278 WeakPolarHBondContact O-CB 3.12Å; E275-N278 PolarHBondContact O-N 2.62Å; E275-N278 VanDerWaalsContact O-N 3.11Å; P276-N278 VanDerWaalsContact C-N 3.3Å; N278-L280 PolarHBondContact O-N 3.49Å
279	H	80.2	Confident	91.4	Very high	88 Å²	88	16.7 Å²	16.7	41%	0.407	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	7	-176.6	-42.9	-73.9	0	0	0	116	R257 T277	R257-H279 PolarHBondContact NE-O 3.34Å; R257-H279 PolarHBondContact NH2-O 3.1Å; T277-H279 PolarHBondContact O-N 2.69Å
280	L	86.6	Confident	91.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.083	C	C	.	.			trans	-85.5	144.5	168.8	-63.3	-169.7	0	0	0	110.4	L236 R257 L260 P276 T277 N278 A284 C285 L288 H592	L236-L280 HydrophobicContact CD2-CD2 4.44Å; R257-L280 HydrophobicContact CG-CD2 3.6Å; L260-L280 HydrophobicContact CD2-CD1 4.13Å; P276-L280 WeakPolarHBondContact O-CD1 3.33Å; T277-L280 WeakPolarHBondContact O-CB 3.47Å; T277-L280 PolarHBondContact O-N 3.06Å; T277-L280 VanDerWaalsContact O-N 3.12Å; N278-L280 PolarHBondContact O-N 3.49Å; L280-A284 HydrophobicContact CB-CB 4.16Å; L280-A284 HydrophobicContact CD2-CB 4.13Å; L280-C285 WeakPolarHBondContact CB-SG 3.35Å; L280-L288 HydrophobicContact CD1-CB 4.4Å; L280-L288 HydrophobicContact CD1-CD2 3.64Å; L280-H592 PolarHBondContact O-CD2 3.38Å; L280-H592 VanDerWaalsContact O-CG 3.31Å; L280-H592 PolarHBondContact O-NE2 2.94Å
281	D	86.8	Confident	91.3	Very high	11 Å²	11	18 Å²	18	6%	0.059	9%	0.09	C	C	.	.			trans	-83.4	170.3	168.2	59.6	15.5	0	0	0	110.7	R257 H283 A284 C285 N453	R257-D281 VanDerWaalsContact NH2-N 3.18Å; D281-H283 PolarHBondContact O-N 2.77Å; D281-A284 PolarHBondContact O-N 2.88Å; D281-A284 VanDerWaalsContact O-N 3.17Å; D281-A284 WeakPolarHBondContact OD1-CB 3.27Å; D281-A284 PolarHBondContact OD1-N 3.35Å; D281-C285 WeakPolarHBondContact O-CB 3.3Å; D281-C285 PolarHBondContact O-N 3.27Å; D281-C285 PolarHBondContact O-SG 2.86Å; D281-C285 VanDerWaalsContact O-SG 3.36Å; D281-N453 PolarHBondContact OD2-N 3.39Å
282	L	87.4	Confident	91.2	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-55.4	-37.6	-178.6	-71.8	167.4	0	0	0	112.6	V286 V450 H592 F594 Y622 L626	L282-V286 VanDerWaalsContact O-CG2 3.23Å; L282-V286 WeakPolarHBondContact O-CG2 3.49Å; L282-V286 PolarHBondContact O-N 3.39Å; L282-V286 VanDerWaalsContact O-N 3.08Å; L282-V450 HydrophobicContact CD1-CB 3.64Å; L282-V450 HydrophobicContact CD1-CG1 3.53Å; L282-H592 HydrophobicContact CD2-CB 4.33Å; L282-H592 WeakPolarHBondContact CD2-O 3.49Å; L282-F594 HydrophobicContact CB-CZ 4.36Å; L282-F594 HydrophobicContact CD2-CD2 4.07Å; L282-F594 HydrophobicContact CD2-CE1 3.98Å; L282-F594 HydrophobicContact CD2-CE2 3.54Å; L282-F594 HydrophobicContact CD2-CZ 3.47Å; L282-F594 VanDerWaalsContact CD2-CZ 3.47Å; L282-F594 HydrophobicContact CG-CZ 4.46Å; L282-Y622 HydrophobicContact CD1-CE1 4.08Å; L282-L626 HydrophobicContact CB-CD1 4.33Å
283	H	89.3	Confident	91.1	Very high	58 Å²	58	22.4 Å²	22.4	27%	0.269	11%	0.109	S	C	.	.	H	α-helix	trans	-66.1	-50.1	178.3	-177.8	-77	0	0	0	111.3	D281 C285 V286 W287	D281-H283 PolarHBondContact O-N 2.77Å; H283-C285 VanDerWaalsContact C-N 3.33Å; H283-C285 PolarHBondContact O-N 2.89Å; H283-V286 PolarHBondContact O-N 3.33Å; H283-W287 PolarHBondContact O-N 2.87Å
284	A	91.1	Very high	90.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-36.7	177.9	0	0	0	0	0	112.3	L280 D281 W287 L288	L280-A284 HydrophobicContact CB-CB 4.16Å; L280-A284 HydrophobicContact CD2-CB 4.13Å; D281-A284 PolarHBondContact O-N 2.88Å; D281-A284 VanDerWaalsContact O-N 3.17Å; D281-A284 WeakPolarHBondContact OD1-CB 3.27Å; D281-A284 PolarHBondContact OD1-N 3.35Å; A284-W287 PolarHBondContact O-N 3.39Å; A284-L288 VanDerWaalsContact O-CB 3.24Å; A284-L288 WeakPolarHBondContact O-CB 3.18Å; A284-L288 PolarHBondContact O-N 3.12Å
285	C	92	Very high	91	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.054	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-48	173.6	-75.2	0	0	0	0	111.7	L280 D281 H283 L288 E289	L280-C285 WeakPolarHBondContact CB-SG 3.35Å; D281-C285 WeakPolarHBondContact O-CB 3.3Å; D281-C285 PolarHBondContact O-N 3.27Å; D281-C285 PolarHBondContact O-SG 2.86Å; D281-C285 VanDerWaalsContact O-SG 3.36Å; H283-C285 VanDerWaalsContact C-N 3.33Å; H283-C285 PolarHBondContact O-N 2.89Å; C285-L288 PolarHBondContact O-N 3.38Å; C285-E289 WeakPolarHBondContact O-CB 3.1Å; C285-E289 PolarHBondContact O-N 2.76Å
286	V	93	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-41	179.1	173.4	0	0	0	0	111.1	L282 H283 E289 E290 F594 K623 L626 R627 I630	L282-V286 VanDerWaalsContact O-CG2 3.23Å; L282-V286 WeakPolarHBondContact O-CG2 3.49Å; L282-V286 PolarHBondContact O-N 3.39Å; L282-V286 VanDerWaalsContact O-N 3.08Å; H283-V286 PolarHBondContact O-N 3.33Å; V286-E289 PolarHBondContact O-N 2.85Å; V286-E290 PolarHBondContact O-N 3.03Å; V286-E290 VanDerWaalsContact O-N 3.14Å; V286-F594 HydrophobicContact CG2-CE2 4.07Å; V286-F594 HydrophobicContact CG2-CZ 3.63Å; V286-K623 HydrophobicContact CG2-CG 3.85Å; V286-L626 HydrophobicContact CG1-CB 4.39Å; V286-L626 HydrophobicContact CG2-CD1 4.32Å; V286-R627 HydrophobicContact CG1-CB 4.38Å; V286-R627 HydrophobicContact CG1-CG 3.34Å; V286-I630 HydrophobicContact CB-CD1 4.24Å; V286-I630 HydrophobicContact CG1-CD1 3.82Å
287	W	94.5	Very high	91.4	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-45	175.7	-178.7	96.8	0	0	0	111.9	I232 G235 L236 L264 H283 A284 E289 E290 E291 I630 R634	I232-W287 HydrophobicContact CB-CH2 4.19Å; I232-W287 HydrophobicContact CG1-CH2 4.32Å; I232-W287 HydrophobicContact CG2-CH2 4.02Å; G235-W287 VanDerWaalsContact CA-CD2 3.45Å; L236-W287 HydrophobicContact CD2-CE3 4.03Å; L236-W287 HydrophobicContact CD2-CZ3 3.88Å; L236-W287 HydrophobicContact CG-CE3 4.31Å; L236-W287 HydrophobicContact CG-CZ3 3.88Å; L264-W287 HydrophobicContact CD1-CH2 4.3Å; L264-W287 HydrophobicContact CD1-CZ3 3.92Å; H283-W287 PolarHBondContact O-N 2.87Å; A284-W287 PolarHBondContact O-N 3.39Å; W287-E289 VanDerWaalsContact C-N 3.31Å; W287-E289 PolarHBondContact O-N 3.37Å; W287-E290 PolarHBondContact O-N 3.42Å; W287-E291 HydrophobicContact CD2-CG 3.95Å; W287-E291 HydrophobicContact CE3-CG 3.95Å; W287-E291 HydrophobicContact CH2-CB 4.48Å; W287-E291 HydrophobicContact CH2-CG 3.44Å; W287-E291 VanDerWaalsContact CH2-CG 3.44Å; W287-E291 HydrophobicContact CZ2-CG 3.43Å; W287-E291 VanDerWaalsContact CZ2-CG 3.43Å; W287-E291 HydrophobicContact CZ3-CB 4.4Å; W287-E291 HydrophobicContact CZ3-CG 3.71Å; W287-E291 PolarHBondContact O-N 2.97Å; W287-I630 HydrophobicContact CB-CD1 3.91Å; W287-R634 VanDerWaalsContact NE1-NH2 3.16Å
288	L	95.4	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-41.2	178.4	179.3	65.5	0	0	0	111.3	L260 L264 P276 L280 A284 C285 E290 E291 L292 F308	L260-L288 HydrophobicContact CD1-CD1 4.24Å; L260-L288 HydrophobicContact CD2-CD1 4.02Å; L260-L288 HydrophobicContact CD2-CD2 3.87Å; L260-L288 HydrophobicContact CG-CD1 4.4Å; L264-L288 HydrophobicContact CD1-CD1 3.79Å; L264-L288 HydrophobicContact CD2-CD1 4.32Å; P276-L288 HydrophobicContact CB-CD2 4.18Å; P276-L288 HydrophobicContact CG-CD2 4.48Å; L280-L288 HydrophobicContact CD1-CB 4.4Å; L280-L288 HydrophobicContact CD1-CD2 3.64Å; A284-L288 VanDerWaalsContact O-CB 3.24Å; A284-L288 WeakPolarHBondContact O-CB 3.18Å; A284-L288 PolarHBondContact O-N 3.12Å; C285-L288 PolarHBondContact O-N 3.38Å; L288-E290 PolarHBondContact O-N 3.29Å; L288-E291 PolarHBondContact O-N 3.09Å; L288-L292 HydrophobicContact CD1-CD1 3.8Å; L288-L292 HydrophobicContact CD1-CG 3.88Å; L288-L292 HydrophobicContact CD2-CD1 4.26Å; L288-L292 HydrophobicContact CG-CD1 3.76Å; L288-L292 HydrophobicContact CG-CG 4.2Å; L288-L292 WeakPolarHBondContact O-CB 3.42Å; L288-L292 WeakPolarHBondContact O-CG 3.35Å; L288-L292 PolarHBondContact O-N 2.94Å; L288-F308 HydrophobicContact CB-CE2 4.43Å; L288-F308 HydrophobicContact CD2-CE2 3.99Å; L288-F308 HydrophobicContact CD2-CZ 3.74Å; L288-F308 HydrophobicContact CG-CE2 4.08Å; L288-F308 HydrophobicContact CG-CZ 4.03Å
289	E	94.8	Very high	92.6	Very high	4 Å²	4	34 Å²	34	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-48	174.8	-174.3	-169.8	146	0	0	111.1	C285 V286 W287 E291 L292 K293 F308 G311 V312 K623 R627	C285-E289 WeakPolarHBondContact O-CB 3.1Å; C285-E289 PolarHBondContact O-N 2.76Å; V286-E289 PolarHBondContact O-N 2.85Å; W287-E289 VanDerWaalsContact C-N 3.31Å; W287-E289 PolarHBondContact O-N 3.37Å; E289-E291 VanDerWaalsContact C-N 3.33Å; E289-E291 PolarHBondContact O-N 2.85Å; E289-L292 PolarHBondContact O-N 2.74Å; E289-K293 WeakPolarHBondContact O-CB 3.18Å; E289-K293 PolarHBondContact O-N 2.67Å; E289-F308 HydrophobicContact CB-CD2 4.1Å; E289-F308 HydrophobicContact CB-CE2 4.09Å; E289-F308 HydrophobicContact CG-CD2 4.46Å; E289-G311 VanDerWaalsContact OE1-CA 3.27Å; E289-G311 WeakPolarHBondContact OE1-CA 3.28Å; E289-V312 HydrophobicContact CB-CG2 4.34Å; E289-V312 HydrophobicContact CG-CG2 3.86Å; E289-K623 IonicContact OE1-NZ 3.05Å; E289-K623 PolarHBondContact OE1-NZ 3.3Å; E289-K623 WeakPolarHBondContact OE2-CE 3.5Å; E289-K623 IonicContact OE2-NZ 3.09Å; E289-K623 PolarHBondContact OE2-NZ 2.95Å; E289-R627 IonicContact OE1-CZ 3.52Å; E289-R627 IonicContact OE1-NH2 3.55Å; E289-R627 PolarHBondContact OE1-NH2 3.21Å; E289-R627 IonicContact OE2-NH2 3.92Å
290	E	94.1	Very high	93.4	Very high	18 Å²	18	30 Å²	30	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-31.1	178.8	-71.2	-57.2	145.7	0	0	113.3	V286 W287 L288 K293 K294 R627	V286-E290 PolarHBondContact O-N 3.03Å; V286-E290 VanDerWaalsContact O-N 3.14Å; W287-E290 PolarHBondContact O-N 3.42Å; L288-E290 PolarHBondContact O-N 3.29Å; E290-K293 IonicContact OE1-NZ 2.62Å; E290-K293 IonicContact OE2-NZ 3.78Å; E290-K294 WeakPolarHBondContact O-CD 3.39Å; E290-K294 WeakPolarHBondContact O-CE 3.44Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E290-R627 IonicContact OE1-CZ 2.81Å; E290-R627 IonicContact OE1-NE 3.6Å; E290-R627 PolarHBondContact OE1-NE 3.16Å
291	E	94.3	Very high	93.9	Very high	29 Å²	29	29.9 Å²	29.9	14%	0.136	13%	0.131	C	C	.	.	H	α-helix	trans	-70.1	-51.3	172	-79.7	-53.1	102.9	0	0	112.5	W287 L288 E289 K293 K294 R634	W287-E291 HydrophobicContact CD2-CG 3.95Å; W287-E291 HydrophobicContact CE3-CG 3.95Å; W287-E291 HydrophobicContact CH2-CB 4.48Å; W287-E291 HydrophobicContact CH2-CG 3.44Å; W287-E291 VanDerWaalsContact CH2-CG 3.44Å; W287-E291 HydrophobicContact CZ2-CG 3.43Å; W287-E291 VanDerWaalsContact CZ2-CG 3.43Å; W287-E291 HydrophobicContact CZ3-CB 4.4Å; W287-E291 HydrophobicContact CZ3-CG 3.71Å; W287-E291 PolarHBondContact O-N 2.97Å; L288-E291 PolarHBondContact O-N 3.09Å; E289-E291 VanDerWaalsContact C-N 3.33Å; E289-E291 PolarHBondContact O-N 2.85Å; E291-K293 VanDerWaalsContact C-N 3.31Å; E291-K293 PolarHBondContact O-N 2.88Å; E291-K294 PolarHBondContact O-N 2.84Å; E291-K294 VanDerWaalsContact O-N 3.13Å; E291-R634 IonicContact OE1-CZ 2.78Å; E291-R634 IonicContact OE1-NH1 3.76Å; E291-R634 PolarHBondContact OE1-NH1 2.96Å; E291-R634 IonicContact OE1-NH2 2.63Å; E291-R634 PolarHBondContact OE1-NH2 3.12Å
292	L	96.2	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-69.6	-30.1	-176.2	-69.3	177.8	0	0	0	112.4	R132 L264 L271 L273 L288 E289 K294 Y295 L299 I301 F308 V312	R132-L292 WeakPolarHBondContact CD-O 3.31Å; L264-L292 HydrophobicContact CD2-CD2 3.68Å; L264-L292 HydrophobicContact CD2-CG 4.49Å; L271-L292 HydrophobicContact CD2-CD2 4.35Å; L273-L292 HydrophobicContact CD1-CD1 3.74Å; L273-L292 HydrophobicContact CD1-CD2 4.04Å; L288-L292 HydrophobicContact CD1-CD1 3.8Å; L288-L292 HydrophobicContact CD1-CG 3.88Å; L288-L292 HydrophobicContact CD2-CD1 4.26Å; L288-L292 HydrophobicContact CG-CD1 3.76Å; L288-L292 HydrophobicContact CG-CG 4.2Å; L288-L292 WeakPolarHBondContact O-CB 3.42Å; L288-L292 WeakPolarHBondContact O-CG 3.35Å; L288-L292 PolarHBondContact O-N 2.94Å; E289-L292 PolarHBondContact O-N 2.74Å; L292-K294 PolarHBondContact O-N 3.46Å; L292-Y295 WeakPolarHBondContact O-CB 3.42Å; L292-Y295 PolarHBondContact O-N 3.12Å; L292-L299 HydrophobicContact CB-CD2 4.06Å; L292-L299 HydrophobicContact CD2-CD1 4.35Å; L292-L299 HydrophobicContact CD2-CD2 4.01Å; L292-L299 HydrophobicContact CG-CD2 4.48Å; L292-I301 HydrophobicContact CD1-CD1 4.03Å; L292-F308 HydrophobicContact CD1-CE1 4.41Å; L292-F308 HydrophobicContact CD1-CZ 3.71Å; L292-V312 HydrophobicContact CB-CG1 3.65Å; L292-V312 HydrophobicContact CB-CG2 3.99Å
293	K	94.8	Very high	94.4	Very high	93 Å²	93	29.5 Å²	29.5	40%	0.404	13%	0.129	S	C	.	.	H	α-helix	trans	-57.5	-30.4	172.4	179.4	178.5	175.3	-171.8	0	112.7	R132 E289 E290 E291 Y295	R132-K293 PolarHBondContact NH1-O 2.87Å; R132-K293 PolarHBondContact NH2-O 3.42Å; E289-K293 WeakPolarHBondContact O-CB 3.18Å; E289-K293 PolarHBondContact O-N 2.67Å; E290-K293 IonicContact OE1-NZ 2.62Å; E290-K293 IonicContact OE2-NZ 3.78Å; E291-K293 VanDerWaalsContact C-N 3.31Å; E291-K293 PolarHBondContact O-N 2.88Å; K293-Y295 VanDerWaalsContact C-N 3.33Å
294	K	93.2	Very high	94.2	Very high	115 Å²	115	28 Å²	28	50%	0.5	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.3	178.8	-61.6	170	-167.9	172.2	0	112.9	E290 E291 L292 K296 R634	E290-K294 WeakPolarHBondContact O-CD 3.39Å; E290-K294 WeakPolarHBondContact O-CE 3.44Å; E290-K294 WeakPolarHBondContact O-CG 3.5Å; E291-K294 PolarHBondContact O-N 2.84Å; E291-K294 VanDerWaalsContact O-N 3.13Å; L292-K294 PolarHBondContact O-N 3.46Å; K294-K296 WeakPolarHBondContact O-CG 3.36Å; K294-K296 PolarHBondContact O-N 2.71Å; K294-R634 VanDerWaalsContact NZ-NH1 3.16Å
295	Y	95.2	Very high	94.1	Very high	19 Å²	19	28.7 Å²	28.7	8%	0.075	13%	0.127	C	C	.	.			trans	-65.9	119.4	-178.6	-158.5	-96.7	0	0	0	110.9	R132 P268 L271 L292 K293 R297 I298 L299	R132-Y295 PolarHBondContact NH1-O 2.96Å; R132-Y295 VanDerWaalsContact NH1-O 3.16Å; P268-Y295 PolarHBondContact O-OH 3.47Å; L271-Y295 HydrophobicContact CB-CE1 4.17Å; L271-Y295 WeakPolarHBondContact CB-OH 3.46Å; L271-Y295 HydrophobicContact CD2-CE2 3.95Å; L292-Y295 WeakPolarHBondContact O-CB 3.42Å; L292-Y295 PolarHBondContact O-N 3.12Å; K293-Y295 VanDerWaalsContact C-N 3.33Å; Y295-R297 HydrophobicContact CD1-CB 4.26Å; Y295-R297 HydrophobicContact CE1-CB 3.66Å; Y295-R297 HydrophobicContact CE1-CG 4.44Å; Y295-I298 WeakPolarHBondContact CE1-O 3.48Å; Y295-L299 HydrophobicContact CD1-CB 3.76Å; Y295-L299 HydrophobicContact CD1-CD2 4.42Å; Y295-L299 HydrophobicContact CE1-CB 4.15Å; Y295-L299 HydrophobicContact CG-CD2 4.38Å
296	K	93.7	Very high	93.9	Very high	171 Å²	171	29.8 Å²	29.8	74%	0.743	13%	0.131	S	C	*	.			trans	-96.4	-6	-170.9	-59.2	-174.5	-178.9	175.7	0	114.5	W129 G130 K294	W129-K296 PolarHBondContact NE1-O 3.31Å; G130-K296 VanDerWaalsContact CA-O 3.23Å; G130-K296 WeakPolarHBondContact CA-O 3.18Å; K294-K296 WeakPolarHBondContact O-CG 3.36Å; K294-K296 PolarHBondContact O-N 2.71Å
297	R	95.3	Very high	93.8	Very high	85 Å²	85	31 Å²	31	32%	0.321	14%	0.137	S	C	.	.	S	Bend	trans	-103.3	-151.8	-177.5	-47.9	-176.4	173.6	-167.1	6.2	109.1	W129 G130 R267 P268 C269 Y295	W129-R297 HydrophobicContact CE3-CB 4.37Å; W129-R297 HydrophobicContact CH2-CB 3.64Å; W129-R297 HydrophobicContact CH2-CG 3.42Å; W129-R297 VanDerWaalsContact CH2-CG 3.42Å; W129-R297 HydrophobicContact CZ2-CB 3.98Å; W129-R297 HydrophobicContact CZ2-CG 3.58Å; W129-R297 HydrophobicContact CZ3-CB 3.84Å; W129-R297 HydrophobicContact CZ3-CG 4.15Å; G130-R297 WeakPolarHBondContact CA-O 3.4Å; G130-R297 PolarHBondContact N-O 3.23Å; R267-R297 PolarHBondContact O-NH1 3.02Å; P268-R297 WeakPolarHBondContact O-CD 3.43Å; P268-R297 PolarHBondContact O-NH1 2.84Å; C269-R297 WeakPolarHBondContact O-CB 3.46Å; Y295-R297 HydrophobicContact CD1-CB 4.26Å; Y295-R297 HydrophobicContact CE1-CB 3.66Å; Y295-R297 HydrophobicContact CE1-CG 4.44Å
298	I	97.6	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.3	176.4	-50.9	-178.5	0	0	0	109.4	L127 W129 Y133 F161 C269 L270 L271 Y295	L127-I298 HydrophobicContact CB-CD1 4.29Å; L127-I298 HydrophobicContact CB-CG2 3.96Å; W129-I298 HydrophobicContact CE3-CG1 4.21Å; Y133-I298 HydrophobicContact CD2-CG2 4.39Å; Y133-I298 HydrophobicContact CE2-CG2 4.36Å; F161-I298 HydrophobicContact CE1-CD1 3.91Å; C269-I298 PolarHBondContact O-N 3.28Å; C269-I298 VanDerWaalsContact O-N 3.13Å; L270-I298 WeakPolarHBondContact CA-O 3.46Å; L270-I298 HydrophobicContact CD1-CB 3.75Å; L270-I298 HydrophobicContact CD1-CG2 3.39Å; L271-I298 PolarHBondContact N-O 3.17Å; Y295-I298 WeakPolarHBondContact CE1-O 3.48Å
299	L	98.2	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.1	176.2	176.7	59.4	0	0	0	109.1	R131 R132 Y133 L271 L273 L292 Y295 I301 V312	R131-L299 PolarHBondContact O-N 2.93Å; R132-L299 CarbonylContact C-O 3.57Å; R132-L299 WeakPolarHBondContact CA-O 3.43Å; R132-L299 HydrophobicContact CB-CB 4.21Å; R132-L299 HydrophobicContact CB-CD2 4.18Å; R132-L299 HydrophobicContact CG-CB 3.94Å; R132-L299 HydrophobicContact CG-CD2 3.89Å; R132-L299 HydrophobicContact CG-CG 4.47Å; Y133-L299 PolarHBondContact N-O 2.68Å; L271-L299 HydrophobicContact CB-CD1 3.95Å; L271-L299 HydrophobicContact CD2-CD1 3.92Å; L271-L299 HydrophobicContact CG-CD1 3.84Å; L271-L299 WeakPolarHBondContact O-CA 3.23Å; L273-L299 HydrophobicContact CD1-CD1 4.13Å; L273-L299 HydrophobicContact CG-CD1 4.31Å; L292-L299 HydrophobicContact CB-CD2 4.06Å; L292-L299 HydrophobicContact CD2-CD1 4.35Å; L292-L299 HydrophobicContact CD2-CD2 4.01Å; L292-L299 HydrophobicContact CG-CD2 4.48Å; Y295-L299 HydrophobicContact CD1-CB 3.76Å; Y295-L299 HydrophobicContact CD1-CD2 4.42Å; Y295-L299 HydrophobicContact CE1-CB 4.15Å; Y295-L299 HydrophobicContact CG-CD2 4.38Å; L299-I301 HydrophobicContact CD1-CD1 4.08Å; L299-I301 HydrophobicContact CD1-CG1 3.8Å; L299-I301 HydrophobicContact CD2-CD1 3.62Å; L299-I301 HydrophobicContact CD2-CG1 4.25Å; L299-I301 HydrophobicContact CG-CD1 3.75Å; L299-I301 HydrophobicContact CG-CG1 3.81Å; L299-V312 HydrophobicContact CD2-CG1 3.87Å
300	V	98.3	Very high	93.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	170.2	-174.2	0	0	0	0	107.9	L127 Y133 L135 L147 L270 L271 L272 L273	L127-V300 HydrophobicContact CD1-CG2 4.22Å; L127-V300 HydrophobicContact CD2-CG2 3.83Å; Y133-V300 CarbonylContact O-C 3.57Å; Y133-V300 WeakPolarHBondContact O-CA 3.48Å; L135-V300 HydrophobicContact CB-CG1 4.12Å; L147-V300 HydrophobicContact CD2-CB 4.43Å; L147-V300 HydrophobicContact CD2-CG1 3.85Å; L270-V300 HydrophobicContact CD1-CG2 4.13Å; L271-V300 PolarHBondContact O-N 2.99Å; L272-V300 WeakPolarHBondContact CA-O 3.49Å; L272-V300 HydrophobicContact CD2-CB 3.64Å; L272-V300 HydrophobicContact CD2-CG2 3.78Å; L273-V300 PolarHBondContact N-O 2.78Å
301	I	96.7	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.9	-178.6	-65.5	162.6	0	0	0	108.6	Y133 G134 L135 L273 P276 L292 L299 F308 L309 V312	Y133-I301 PolarHBondContact O-N 2.96Å; G134-I301 CarbonylContact C-O 3.58Å; G134-I301 WeakPolarHBondContact CA-O 3.46Å; L135-I301 PolarHBondContact N-O 3.39Å; L273-I301 HydrophobicContact CB-CG1 4.23Å; L273-I301 HydrophobicContact CD1-CG1 4.25Å; L273-I301 CarbonylContact O-C 3.59Å; L273-I301 WeakPolarHBondContact O-CA 3.4Å; P276-I301 HydrophobicContact CG-CG2 4.36Å; L292-I301 HydrophobicContact CD1-CD1 4.03Å; L299-I301 HydrophobicContact CD1-CD1 4.08Å; L299-I301 HydrophobicContact CD1-CG1 3.8Å; L299-I301 HydrophobicContact CD2-CD1 3.62Å; L299-I301 HydrophobicContact CD2-CG1 4.25Å; L299-I301 HydrophobicContact CG-CD1 3.75Å; L299-I301 HydrophobicContact CG-CG1 3.81Å; I301-F308 HydrophobicContact CD1-CE1 4.33Å; I301-F308 HydrophobicContact CG2-CD1 4.5Å; I301-F308 HydrophobicContact CG2-CE1 4.04Å; I301-L309 HydrophobicContact CG2-CD2 4.48Å; I301-V312 HydrophobicContact CD1-CB 4.31Å; I301-V312 HydrophobicContact CD1-CG1 3.56Å
302	V	94.1	Very high	93.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123	158.1	178.3	0	0	0	0	106.5	L135 K143 L147 L273 D274 E275	L135-V302 HydrophobicContact CB-CG2 3.86Å; L135-V302 HydrophobicContact CD2-CG2 3.83Å; L135-V302 HydrophobicContact CG-CG2 4.03Å; K143-V302 HydrophobicContact CB-CG2 4.13Å; K143-V302 HydrophobicContact CD-CG1 4.04Å; L147-V302 HydrophobicContact CD1-CG2 3.8Å; L147-V302 HydrophobicContact CG-CG2 4.42Å; L273-V302 PolarHBondContact O-N 2.93Å; D274-V302 WeakPolarHBondContact OD1-CB 3.42Å; D274-V302 WeakPolarHBondContact OD1-CG1 3.16Å; E275-V302 VanDerWaalsContact CA-O 3.32Å; E275-V302 WeakPolarHBondContact CA-O 3.42Å; E275-V302 PolarHBondContact N-O 2.87Å
303	S	91	Very high	93.7	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	15%	0.146	C	C	.	.			trans	-148.3	138.1	174.3	-177.8	0	0	0	0	110.2	E275 S305	E275-S303 VanDerWaalsContact CD-CA 3.5Å; E275-S303 WeakPolarHBondContact OE1-CA 3.38Å; E275-S303 PolarHBondContact OE1-N 3.37Å; E275-S303 WeakPolarHBondContact OE2-CA 3.37Å; S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact OG-N 3.16Å; S303-S305 VanDerWaalsContact OG-N 3.15Å
304	H	84.6	Confident	93.8	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.13	14%	0.14	C	C	.	.	S	Bend	trans	-89.3	9.5	171	-70.1	-59	0	0	0	113	N139 E275	N139-H304 PolarHBondContact OD1-NE2 3.47Å; E275-H304 VanDerWaalsContact CD-CD2 3.48Å; E275-H304 IonicContact OE1-CD2 3.61Å; E275-H304 PolarHBondContact OE1-CD2 2.93Å; E275-H304 IonicContact OE1-CG 2.73Å; E275-H304 PolarHBondContact OE1-N 2.88Å; E275-H304 IonicContact OE1-NE2 3.13Å; E275-H304 IonicContact OE2-CD2 3.32Å; E275-H304 PolarHBondContact OE2-N 3.24Å
305	S	88.3	Confident	94	Very high	14 Å²	14	24.2 Å²	24.2	10%	0.098	12%	0.12	C	C	.	.			trans	-103.1	113.8	174.8	-179.5	0	0	0	0	111.9	S303 D307 F308 L309	S303-S305 VanDerWaalsContact C-N 3.29Å; S303-S305 PolarHBondContact OG-N 3.16Å; S303-S305 VanDerWaalsContact OG-N 3.15Å; S305-D307 PolarHBondContact O-N 2.81Å; S305-F308 PolarHBondContact O-N 2.8Å; S305-F308 PolarHBondContact OG-N 2.85Å; S305-L309 WeakPolarHBondContact O-CG 3.47Å; S305-L309 PolarHBondContact O-N 3.12Å
306	Q	89.3	Confident	94.2	Very high	30 Å²	30	23.3 Å²	23.3	14%	0.14	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-43.7	177.9	169	167.5	-0.2	0	0	112.4	F308 L309 N310 Y331 D332 M570 R595	Q306-F308 VanDerWaalsContact C-N 3.31Å; Q306-F308 PolarHBondContact O-N 3.34Å; Q306-L309 PolarHBondContact O-N 2.96Å; Q306-N310 WeakPolarHBondContact CG-ND2 3.4Å; Q306-N310 VanDerWaalsContact O-CB 3.3Å; Q306-N310 WeakPolarHBondContact O-CB 3.39Å; Q306-N310 PolarHBondContact O-N 2.86Å; Q306-N310 PolarHBondContact O-ND2 3.02Å; Q306-Y331 HydrophobicContact CB-CD1 4.08Å; Q306-Y331 HydrophobicContact CB-CE1 4.14Å; Q306-Y331 HydrophobicContact CG-CD1 3.44Å; Q306-Y331 VanDerWaalsContact CG-CD1 3.44Å; Q306-Y331 HydrophobicContact CG-CE1 3.81Å; Q306-Y331 HydrophobicContact CG-CG 4.28Å; Q306-D332 PolarHBondContact NE2-OD1 3.26Å; Q306-M570 HydrophobicContact CB-CE 3.81Å; Q306-M570 HydrophobicContact CB-SD 4.18Å; Q306-M570 VanDerWaalsContact N-CE 3.26Å; Q306-R595 VanDerWaalsContact OE1-CD 3.22Å
307	D	90.1	Very high	94.4	Very high	25 Å²	25	15.4 Å²	15.4	13%	0.134	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-40.9	-179	178.2	59.6	0	0	0	111	S305 N310 G311 F594 K623	S305-D307 PolarHBondContact O-N 2.81Å; D307-N310 PolarHBondContact O-N 3.38Å; D307-G311 PolarHBondContact O-N 3.15Å; D307-F594 HydrophobicContact CB-CB 4.18Å; D307-F594 WeakPolarHBondContact OD2-CD2 3.31Å; D307-F594 WeakPolarHBondContact OD2-CG 3.43Å; D307-K623 IonicContact OD1-NZ 3.29Å; D307-K623 PolarHBondContact OD1-NZ 3.02Å; D307-K623 IonicContact OD2-NZ 3.17Å; D307-K623 PolarHBondContact OD2-NZ 2.93Å
308	F	92.3	Very high	94.4	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.022	7%	0.073	C	C	.	.	H	α-helix	trans	-65.4	-47.4	174	-170.5	-107.9	0	0	0	112.5	P276 T277 L288 E289 L292 I301 S305 Q306 N310 G311 V312	P276-F308 HydrophobicContact CG-CE1 4Å; P276-F308 HydrophobicContact CG-CZ 4.24Å; T277-F308 HydrophobicContact CG2-CB 4.38Å; T277-F308 HydrophobicContact CG2-CD1 3.92Å; T277-F308 HydrophobicContact CG2-CD2 3.75Å; T277-F308 HydrophobicContact CG2-CE1 4.02Å; T277-F308 HydrophobicContact CG2-CE2 3.86Å; T277-F308 HydrophobicContact CG2-CG 3.76Å; T277-F308 HydrophobicContact CG2-CZ 3.98Å; L288-F308 HydrophobicContact CB-CE2 4.43Å; L288-F308 HydrophobicContact CD2-CE2 3.99Å; L288-F308 HydrophobicContact CD2-CZ 3.74Å; L288-F308 HydrophobicContact CG-CE2 4.08Å; L288-F308 HydrophobicContact CG-CZ 4.03Å; E289-F308 HydrophobicContact CB-CD2 4.1Å; E289-F308 HydrophobicContact CB-CE2 4.09Å; E289-F308 HydrophobicContact CG-CD2 4.46Å; L292-F308 HydrophobicContact CD1-CE1 4.41Å; L292-F308 HydrophobicContact CD1-CZ 3.71Å; I301-F308 HydrophobicContact CD1-CE1 4.33Å; I301-F308 HydrophobicContact CG2-CD1 4.5Å; I301-F308 HydrophobicContact CG2-CE1 4.04Å; S305-F308 PolarHBondContact O-N 2.8Å; S305-F308 PolarHBondContact OG-N 2.85Å; Q306-F308 VanDerWaalsContact C-N 3.31Å; Q306-F308 PolarHBondContact O-N 3.34Å; F308-N310 VanDerWaalsContact C-N 3.27Å; F308-N310 PolarHBondContact O-N 3.01Å; F308-G311 PolarHBondContact O-N 3.16Å; F308-V312 HydrophobicContact CD2-CG2 4.45Å; F308-V312 HydrophobicContact CE1-CG2 4.47Å; F308-V312 HydrophobicContact CE2-CG2 4.22Å; F308-V312 HydrophobicContact CZ-CG2 4.25Å; F308-V312 WeakPolarHBondContact O-CG2 3.41Å; F308-V312 PolarHBondContact O-N 2.9Å; F308-V312 VanDerWaalsContact O-N 3.07Å
309	L	94.6	Very high	94.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-38.4	176.2	-70.2	-179.9	0	0	0	111.8	I136 I301 S305 Q306 C313 Y331 M570	I136-L309 HydrophobicContact CG2-CD1 3.85Å; I301-L309 HydrophobicContact CG2-CD2 4.48Å; S305-L309 WeakPolarHBondContact O-CG 3.47Å; S305-L309 PolarHBondContact O-N 3.12Å; Q306-L309 PolarHBondContact O-N 2.96Å; L309-C313 WeakPolarHBondContact O-CB 3.32Å; L309-C313 PolarHBondContact O-N 3.18Å; L309-Y331 HydrophobicContact CD1-CD2 3.73Å; L309-Y331 HydrophobicContact CD1-CE2 4.29Å; L309-Y331 HydrophobicContact CD1-CG 4.37Å; L309-M570 HydrophobicContact CD1-CE 3.79Å
310	N	94.3	Very high	93.8	Very high	33 Å²	33	15.8 Å²	15.8	18%	0.176	9%	0.085	C	C	.	.	H	α-helix	trans	-66.9	-37.8	178	-84.3	-29.8	0	0	0	113.3	Q306 D307 F308 N330 Y331 D332	Q306-N310 WeakPolarHBondContact CG-ND2 3.4Å; Q306-N310 VanDerWaalsContact O-CB 3.3Å; Q306-N310 WeakPolarHBondContact O-CB 3.39Å; Q306-N310 PolarHBondContact O-N 2.86Å; Q306-N310 PolarHBondContact O-ND2 3.02Å; D307-N310 PolarHBondContact O-N 3.38Å; F308-N310 VanDerWaalsContact C-N 3.27Å; F308-N310 PolarHBondContact O-N 3.01Å; N310-N330 PolarHBondContact OD1-ND2 2.84Å; N310-Y331 WeakPolarHBondContact OD1-CA 3.38Å; N310-Y331 VanDerWaalsContact OD1-CB 3.3Å; N310-Y331 WeakPolarHBondContact OD1-CB 3.37Å; N310-Y331 PolarHBondContact OD1-N 3.46Å; N310-D332 PolarHBondContact ND2-OD1 3.33Å; N310-D332 PolarHBondContact ND2-OD2 3.18Å; N310-D332 PolarHBondContact OD1-N 3.28Å
311	G	93.2	Very high	93.3	Very high	20 Å²	20	21.9 Å²	21.9	21%	0.206	11%	0.111	C	C	.	.	H	α-helix	trans	-71.2	-37	178.5	0	0	0	0	0	113.7	E289 D307 F308	E289-G311 VanDerWaalsContact OE1-CA 3.27Å; E289-G311 WeakPolarHBondContact OE1-CA 3.28Å; D307-G311 PolarHBondContact O-N 3.15Å; F308-G311 PolarHBondContact O-N 3.16Å
312	V	96.5	Very high	93.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-99.2	-46.5	-172.3	-177.2	0	0	0	0	113.1	R132 E289 L292 L299 I301 F308	R132-V312 WeakPolarHBondContact CD-O 3.25Å; R132-V312 PolarHBondContact NE-O 3.26Å; E289-V312 HydrophobicContact CB-CG2 4.34Å; E289-V312 HydrophobicContact CG-CG2 3.86Å; L292-V312 HydrophobicContact CB-CG1 3.65Å; L292-V312 HydrophobicContact CB-CG2 3.99Å; L299-V312 HydrophobicContact CD2-CG1 3.87Å; I301-V312 HydrophobicContact CD1-CB 4.31Å; I301-V312 HydrophobicContact CD1-CG1 3.56Å; F308-V312 HydrophobicContact CD2-CG2 4.45Å; F308-V312 HydrophobicContact CE1-CG2 4.47Å; F308-V312 HydrophobicContact CE2-CG2 4.22Å; F308-V312 HydrophobicContact CZ-CG2 4.25Å; F308-V312 WeakPolarHBondContact O-CG2 3.41Å; F308-V312 PolarHBondContact O-N 2.9Å; F308-V312 VanDerWaalsContact O-N 3.07Å
313	C	97.2	Very high	93.1	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.054	15%	0.147	C	C	.	.			trans	-81.4	138.4	-162.4	-59.6	0	0	0	0	113.1	R132 G134 L309 I316	R132-C313 CarbonylContact O-C 3.59Å; R132-C313 WeakPolarHBondContact O-CA 3.25Å; G134-C313 VanDerWaalsContact CA-SG 3.59Å; G134-C313 PolarHBondContact N-SG 2.99Å; L309-C313 WeakPolarHBondContact O-CB 3.32Å; L309-C313 PolarHBondContact O-N 3.18Å; C313-I316 HydrophobicContact CB-CD1 4.1Å
314	T	96.9	Very high	93.4	Very high	44 Å²	44	30.1 Å²	30.1	27%	0.27	15%	0.148	S	C	.	.	S	Bend	trans	-98.2	-17.3	170.9	59.6	0	0	0	0	112.5	R132 G329	R132-T314 PolarHBondContact N-OG1 3.36Å; R132-T314 PolarHBondContact O-N 2.88Å; R132-T314 PolarHBondContact O-OG1 3.23Å; T314-G329 CarbonylContact C-O 3.59Å; T314-G329 CarbonylContact O-C 3.52Å; T314-G329 VanDerWaalsContact O-CA 3.29Å; T314-G329 WeakPolarHBondContact O-CA 3.43Å; T314-G329 PolarHBondContact O-N 3.32Å; T314-G329 VanDerWaalsContact O-O 3.1Å
315	N	98	Very high	93.9	Very high	17 Å²	17	30.4 Å²	30.4	9%	0.091	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149.8	-177	-66.3	84.5	0	0	0	109.4	R131 R132 Y133 G134 Y327 G329	R131-N315 WeakPolarHBondContact CD-OD1 3.44Å; R132-N315 PolarHBondContact O-N 2.9Å; R132-N315 VanDerWaalsContact O-N 3.13Å; Y133-N315 CarbonylContact C-O 3.58Å; Y133-N315 VanDerWaalsContact CA-O 3.31Å; Y133-N315 WeakPolarHBondContact CA-O 3.4Å; Y133-N315 HydrophobicContact CD1-CB 3.44Å; Y133-N315 VanDerWaalsContact CD1-CB 3.44Å; Y133-N315 HydrophobicContact CE1-CB 3.6Å; Y133-N315 HydrophobicContact CG-CB 4.35Å; G134-N315 PolarHBondContact N-O 3.14Å; N315-Y327 CarbonylContact C-O 3.36Å; N315-Y327 VanDerWaalsContact CA-O 3.3Å; N315-Y327 WeakPolarHBondContact CA-O 3.4Å; N315-G329 CarbonylContact C-O 3.58Å; N315-G329 VanDerWaalsContact CA-O 3.27Å; N315-G329 WeakPolarHBondContact CA-O 3.4Å; N315-G329 PolarHBondContact N-O 3.03Å
316	I	97.9	Very high	94.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.9	174	-59.9	-62.1	0	0	0	109.1	G134 I136 C313 Y327 Y331 F334	G134-I316 CarbonylContact O-C 3.56Å; G134-I316 WeakPolarHBondContact O-CA 3.28Å; I136-I316 HydrophobicContact CD1-CG2 3.41Å; I136-I316 VanDerWaalsContact CD1-CG2 3.41Å; I136-I316 HydrophobicContact CG1-CG2 3.65Å; I136-I316 HydrophobicContact CG2-CG2 4.39Å; C313-I316 HydrophobicContact CB-CD1 4.1Å; I316-Y327 PolarHBondContact N-O 3.44Å; I316-Y327 PolarHBondContact O-N 3.12Å; I316-Y331 HydrophobicContact CD1-CD2 4.49Å; I316-F334 HydrophobicContact CB-CB 3.94Å; I316-F334 HydrophobicContact CB-CD2 4.38Å; I316-F334 HydrophobicContact CB-CG 4.12Å; I316-F334 HydrophobicContact CG1-CB 3.76Å; I316-F334 HydrophobicContact CG1-CG 4.3Å; I316-F334 HydrophobicContact CG2-CB 4.18Å; I316-F334 HydrophobicContact CG2-CD1 4.18Å; I316-F334 HydrophobicContact CG2-CD2 3.98Å; I316-F334 HydrophobicContact CG2-CE2 4.48Å; I316-F334 HydrophobicContact CG2-CG 3.81Å
317	I	97.6	Very high	94.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.2	170.2	-52.7	179.4	0	0	0	106.9	L127 Y133 G134 L135 I136 L324 A325 Y326	L127-I317 HydrophobicContact CD2-CD1 3.97Å; Y133-I317 HydrophobicContact CD1-CD1 3.7Å; Y133-I317 HydrophobicContact CD1-CG1 3.68Å; Y133-I317 HydrophobicContact CE1-CD1 4.46Å; Y133-I317 HydrophobicContact CG-CD1 3.88Å; Y133-I317 HydrophobicContact CG-CG1 4.22Å; G134-I317 PolarHBondContact O-N 3.05Å; L135-I317 WeakPolarHBondContact CA-O 3.47Å; L135-I317 HydrophobicContact CD1-CB 4.01Å; L135-I317 HydrophobicContact CD1-CG2 3.85Å; I136-I317 PolarHBondContact N-O 2.63Å; I317-L324 HydrophobicContact CG2-CB 4.09Å; I317-L324 HydrophobicContact CG2-CD2 3.78Å; I317-L324 HydrophobicContact CG2-CG 4.41Å; I317-A325 CarbonylContact C-O 3.55Å; I317-A325 WeakPolarHBondContact CA-O 3.46Å; I317-Y326 HydrophobicContact CD1-CD1 4.4Å; I317-Y326 HydrophobicContact CD1-CE1 3.64Å; I317-Y326 HydrophobicContact CG1-CD1 3.91Å; I317-Y326 HydrophobicContact CG1-CE1 3.61Å; I317-Y326 HydrophobicContact CG2-CE1 4.26Å
318	H	95.4	Very high	94.9	Very high	26 Å²	26	34.9 Å²	34.9	12%	0.12	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.7	178.8	-173.9	-176.4	0	0	0	110	I136 R320 A325 Y327 F334	I136-H318 HydrophobicContact CD1-CB 4.19Å; I136-H318 HydrophobicContact CG1-CB 3.98Å; H318-R320 PolarHBondContact O-N 3.27Å; H318-A325 HydrophobicContact CB-CB 4.44Å; H318-A325 PolarHBondContact N-O 2.89Å; H318-A325 PolarHBondContact O-N 2.82Å; H318-Y327 HydrophobicContact CB-CD2 4.39Å; H318-Y327 HydrophobicContact CB-CE2 3.86Å; H318-F334 HydrophobicContact CB-CE2 4.1Å; H318-F334 HydrophobicContact CB-CZ 4.45Å; H318-F334 AromaticContact ND1-CE2 3.6Å; H318-F334 AromaticContact ND1-CZ 3.51Å
319	L	94	Very high	95	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.2	174.3	178.6	52.7	0	0	0	110.1	L120 L135 I136 C141 K143 L324	L120-L319 HydrophobicContact CD2-CD1 3.3Å; L120-L319 HydrophobicContact CG-CD1 4.33Å; L135-L319 HydrophobicContact CD1-CB 4.32Å; I136-L319 PolarHBondContact O-N 3.07Å; C141-L319 HydrophobicContact CB-CD2 4.26Å; C141-L319 HydrophobicContact CB-CG 4.24Å; C141-L319 WeakPolarHBondContact O-CD2 3.23Å; C141-L319 WeakPolarHBondContact SG-CD2 3.29Å; K143-L319 HydrophobicContact CG-CD2 4.12Å; L319-L324 HydrophobicContact CB-CD2 4.18Å; L319-L324 HydrophobicContact CD1-CD2 3.83Å
320	R	89.1	Confident	95	Very high	61 Å²	61	37 Å²	37	23%	0.23	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.2	-179.4	-171.5	-179.3	170.7	168.3	-2	110.9	H318 Q322 K323 V397 D399	H318-R320 PolarHBondContact O-N 3.27Å; R320-Q322 PolarHBondContact O-N 2.84Å; R320-K323 PolarHBondContact N-O 2.9Å; R320-K323 PolarHBondContact O-N 2.87Å; R320-K323 VanDerWaalsContact O-O 3.14Å; R320-V397 PolarHBondContact NH2-O 3.46Å; R320-D399 IonicContact CZ-OD2 2.58Å; R320-D399 IonicContact NH2-OD2 3.97Å
321	K	87.8	Confident	95	Very high	132 Å²	132	36.4 Å²	36.4	57%	0.574	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	42.5	-179	-64.9	-179.2	-179.8	-172.3	0	112	K323 E394	K321-K323 PolarHBondContact O-N 3.48Å; K321-K323 VanDerWaalsContact O-N 3.1Å; K321-E394 IonicContact NZ-OE2 3.83Å; K321-E394 PolarHBondContact NZ-OE2 2.88Å
322	Q	93.1	Very high	95	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	20.9	-179.8	-52.3	169.2	22.3	0	0	114.6	L119 L120 S121 R320	L119-Q322 WeakPolarHBondContact O-CA 3.46Å; L120-Q322 WeakPolarHBondContact CA-O 3.4Å; S121-Q322 PolarHBondContact N-O 2.77Å; R320-Q322 PolarHBondContact O-N 2.84Å
323	K	94.8	Very high	95	Very high	85 Å²	85	44 Å²	44	37%	0.37	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.2	176.5	-64.5	-71.2	-171.5	-177.7	0	110.4	S121 D122 R320 K321	S121-K323 WeakPolarHBondContact O-CD 3.34Å; S121-K323 WeakPolarHBondContact O-CE 3.47Å; S121-K323 PolarHBondContact O-NZ 2.79Å; D122-K323 PolarHBondContact O-NZ 3.44Å; D122-K323 IonicContact OD2-NZ 3.4Å; D122-K323 PolarHBondContact OD2-NZ 3.2Å; R320-K323 PolarHBondContact N-O 2.9Å; R320-K323 PolarHBondContact O-N 2.87Å; R320-K323 VanDerWaalsContact O-O 3.14Å; K321-K323 PolarHBondContact O-N 3.48Å; K321-K323 VanDerWaalsContact O-N 3.1Å
324	L	96.5	Very high	94.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112	173.9	-62.2	173.7	0	0	0	109.6	L110 L120 A123 L125 L135 L146 I317 L319 Y326	L110-L324 HydrophobicContact CD2-CD1 4.34Å; L120-L324 HydrophobicContact CD1-CD1 4.35Å; L120-L324 HydrophobicContact CD2-CD2 4.09Å; L120-L324 HydrophobicContact CD2-CG 3.93Å; A123-L324 HydrophobicContact CB-CD1 4.5Å; A123-L324 HydrophobicContact CB-CG 4.34Å; L125-L324 HydrophobicContact CB-CD1 4.37Å; L125-L324 HydrophobicContact CD1-CD1 4.15Å; L135-L324 HydrophobicContact CD1-CD2 4.43Å; L146-L324 HydrophobicContact CD2-CD1 4.2Å; L146-L324 HydrophobicContact CD2-CD2 4.05Å; I317-L324 HydrophobicContact CG2-CB 4.09Å; I317-L324 HydrophobicContact CG2-CD2 3.78Å; I317-L324 HydrophobicContact CG2-CG 4.41Å; L319-L324 HydrophobicContact CB-CD2 4.18Å; L319-L324 HydrophobicContact CD1-CD2 3.83Å; L324-Y326 HydrophobicContact CB-CE2 3.85Å
325	A	95.3	Very high	94.6	Very high	35 Å²	35	44.4 Å²	44.4	29%	0.289	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.2	174.9	0	0	0	0	0	110.5	I317 H318 Y327	I317-A325 CarbonylContact C-O 3.55Å; I317-A325 WeakPolarHBondContact CA-O 3.46Å; H318-A325 HydrophobicContact CB-CB 4.44Å; H318-A325 PolarHBondContact N-O 2.89Å; H318-A325 PolarHBondContact O-N 2.82Å; A325-Y327 HydrophobicContact CB-CE2 3.66Å
326	Y	96.7	Very high	94.4	Very high	47 Å²	47	50 Å²	50	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132	-173.5	-69.9	-95.6	0	0	0	111	R124 L125 E126 Y133 I317 L324	R124-Y326 HydrophobicContact CG-CE2 4.12Å; R124-Y326 WeakPolarHBondContact O-CE2 3.2Å; R124-Y326 PolarHBondContact O-OH 3.41Å; L125-Y326 VanDerWaalsContact CA-OH 3.29Å; L125-Y326 WeakPolarHBondContact CA-OH 3.3Å; E126-Y326 HydrophobicContact CB-CE1 4.25Å; E126-Y326 PolarHBondContact N-OH 3.47Å; E126-Y326 WeakPolarHBondContact O-CE1 3.41Å; Y133-Y326 HydrophobicContact CE1-CD1 4.41Å; Y133-Y326 HydrophobicContact CE1-CE1 4.48Å; I317-Y326 HydrophobicContact CD1-CD1 4.4Å; I317-Y326 HydrophobicContact CD1-CE1 3.64Å; I317-Y326 HydrophobicContact CG1-CD1 3.91Å; I317-Y326 HydrophobicContact CG1-CE1 3.61Å; I317-Y326 HydrophobicContact CG2-CE1 4.26Å; L324-Y326 HydrophobicContact CB-CE2 3.85Å
327	Y	96.9	Very high	94.3	Very high	18 Å²	18	52.4 Å²	52.4	7%	0.071	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.8	178.2	-57.9	-100.1	0	0	0	108.9	N315 I316 H318 A325 F334 T337 Q341	N315-Y327 CarbonylContact C-O 3.36Å; N315-Y327 VanDerWaalsContact CA-O 3.3Å; N315-Y327 WeakPolarHBondContact CA-O 3.4Å; I316-Y327 PolarHBondContact N-O 3.44Å; I316-Y327 PolarHBondContact O-N 3.12Å; H318-Y327 HydrophobicContact CB-CD2 4.39Å; H318-Y327 HydrophobicContact CB-CE2 3.86Å; A325-Y327 HydrophobicContact CB-CE2 3.66Å; Y327-F334 AromaticContact CD1-CD2 3.89Å; Y327-F334 HydrophobicContact CD1-CD2 3.89Å; Y327-F334 HydrophobicContact CD1-CE2 4.46Å; Y327-F334 AromaticContact CD2-CD2 3.56Å; Y327-F334 HydrophobicContact CD2-CD2 3.56Å; Y327-F334 AromaticContact CD2-CE2 3.86Å; Y327-F334 HydrophobicContact CD2-CE2 3.86Å; Y327-F334 HydrophobicContact CE1-CD2 4.17Å; Y327-F334 HydrophobicContact CE1-CE2 4.29Å; Y327-F334 AromaticContact CE2-CD2 3.89Å; Y327-F334 HydrophobicContact CE2-CD2 3.89Å; Y327-F334 AromaticContact CE2-CE2 3.71Å; Y327-F334 HydrophobicContact CE2-CE2 3.71Å; Y327-F334 AromaticContact CG-CD2 3.58Å; Y327-F334 HydrophobicContact CG-CD2 3.58Å; Y327-F334 HydrophobicContact CG-CE2 4.26Å; Y327-F334 AromaticContact CZ-CE2 3.94Å; Y327-T337 HydrophobicContact CD1-CG2 4.03Å; Y327-T337 HydrophobicContact CE1-CG2 4.33Å; Y327-Q341 PolarHBondContact OH-OE1 2.7Å
328	S	95.6	Very high	93.9	Very high	97 Å²	97	54.3 Å²	54.3	68%	0.678	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.4	170.4	54.7	0	0	0	0	109.5
329	G	94.4	Very high	93.7	Very high	10 Å²	10	57.8 Å²	57.8	10%	0.103	29%	0.29	C	S	.	.	S	Bend	trans	112.4	177.5	-179.6	0	0	0	0	0	113.9	T314 N315	T314-G329 CarbonylContact C-O 3.59Å; T314-G329 CarbonylContact O-C 3.52Å; T314-G329 VanDerWaalsContact O-CA 3.29Å; T314-G329 WeakPolarHBondContact O-CA 3.43Å; T314-G329 PolarHBondContact O-N 3.32Å; T314-G329 VanDerWaalsContact O-O 3.1Å; N315-G329 CarbonylContact C-O 3.58Å; N315-G329 VanDerWaalsContact CA-O 3.27Å; N315-G329 WeakPolarHBondContact CA-O 3.4Å; N315-G329 PolarHBondContact N-O 3.03Å
330	N	93.8	Very high	93.7	Very high	39 Å²	39	62 Å²	62	21%	0.209	31%	0.309	C	S	.	.			trans	-77.7	-175.5	175.2	73.1	-3.7	0	0	0	111.6	N310 D332 Q333 F334	N310-N330 PolarHBondContact OD1-ND2 2.84Å; N330-D332 PolarHBondContact O-N 3.39Å; N330-D332 PolarHBondContact OD1-N 3.31Å; N330-Q333 PolarHBondContact O-N 3.15Å; N330-Q333 WeakPolarHBondContact OD1-CB 3.37Å; N330-Q333 VanDerWaalsContact OD1-CG 3.3Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.36Å; N330-Q333 PolarHBondContact OD1-N 2.94Å; N330-Q333 VanDerWaalsContact OD1-N 3.08Å; N330-F334 PolarHBondContact O-N 2.74Å
331	Y	93.7	Very high	93.8	Very high	22 Å²	22	62.8 Å²	62.8	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-176.3	-175.4	-91.1	0	0	0	112.7	I136 Q306 L309 N310 I316 Q333 F334 V335 M570	I136-Y331 HydrophobicContact CD1-CE2 4.16Å; I136-Y331 HydrophobicContact CG2-CD2 4.5Å; I136-Y331 HydrophobicContact CG2-CE2 4.37Å; Q306-Y331 HydrophobicContact CB-CD1 4.08Å; Q306-Y331 HydrophobicContact CB-CE1 4.14Å; Q306-Y331 HydrophobicContact CG-CD1 3.44Å; Q306-Y331 VanDerWaalsContact CG-CD1 3.44Å; Q306-Y331 HydrophobicContact CG-CE1 3.81Å; Q306-Y331 HydrophobicContact CG-CG 4.28Å; L309-Y331 HydrophobicContact CD1-CD2 3.73Å; L309-Y331 HydrophobicContact CD1-CE2 4.29Å; L309-Y331 HydrophobicContact CD1-CG 4.37Å; N310-Y331 WeakPolarHBondContact OD1-CA 3.38Å; N310-Y331 VanDerWaalsContact OD1-CB 3.3Å; N310-Y331 WeakPolarHBondContact OD1-CB 3.37Å; N310-Y331 PolarHBondContact OD1-N 3.46Å; I316-Y331 HydrophobicContact CD1-CD2 4.49Å; Y331-Q333 VanDerWaalsContact C-N 3.32Å; Y331-Q333 PolarHBondContact O-N 3.49Å; Y331-F334 HydrophobicContact CD2-CD1 4.03Å; Y331-F334 HydrophobicContact CE2-CD1 4Å; Y331-F334 HydrophobicContact CE2-CE1 4.13Å; Y331-F334 WeakPolarHBondContact O-CA 3.32Å; Y331-F334 VanDerWaalsContact O-CB 3.31Å; Y331-F334 WeakPolarHBondContact O-CB 3.32Å; Y331-F334 PolarHBondContact O-N 3.07Å; Y331-F334 VanDerWaalsContact O-N 3.12Å; Y331-V335 HydrophobicContact CD1-CG2 3.75Å; Y331-V335 HydrophobicContact CE1-CG2 3.36Å; Y331-V335 WeakPolarHBondContact O-CG2 3.11Å; Y331-V335 PolarHBondContact O-N 2.95Å; Y331-M570 HydrophobicContact CD2-CE 4.36Å; Y331-M570 HydrophobicContact CE1-CE 4.33Å; Y331-M570 HydrophobicContact CE2-CE 3.89Å
332	D	94	Very high	93.8	Very high	76 Å²	76	57.9 Å²	57.9	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-42.5	177.7	-68.1	-11.8	0	0	0	112	Q306 N310 N330 F334 V335 K336	Q306-D332 PolarHBondContact NE2-OD1 3.26Å; N310-D332 PolarHBondContact ND2-OD1 3.33Å; N310-D332 PolarHBondContact ND2-OD2 3.18Å; N310-D332 PolarHBondContact OD1-N 3.28Å; N330-D332 PolarHBondContact O-N 3.39Å; N330-D332 PolarHBondContact OD1-N 3.31Å; D332-F334 VanDerWaalsContact C-N 3.33Å; D332-V335 PolarHBondContact O-N 3.49Å; D332-K336 PolarHBondContact O-N 3.17Å
333	Q	95.8	Very high	93.8	Very high	105 Å²	105	59.3 Å²	59.3	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-39.2	175.7	-72.2	171.5	-25.1	0	0	111.5	N330 Y331 T337	N330-Q333 PolarHBondContact O-N 3.15Å; N330-Q333 WeakPolarHBondContact OD1-CB 3.37Å; N330-Q333 VanDerWaalsContact OD1-CG 3.3Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.36Å; N330-Q333 PolarHBondContact OD1-N 2.94Å; N330-Q333 VanDerWaalsContact OD1-N 3.08Å; Y331-Q333 VanDerWaalsContact C-N 3.32Å; Y331-Q333 PolarHBondContact O-N 3.49Å; Q333-T337 VanDerWaalsContact O-CB 3.32Å; Q333-T337 WeakPolarHBondContact O-CB 3.44Å; Q333-T337 PolarHBondContact O-N 2.94Å; Q333-T337 PolarHBondContact O-OG1 3.29Å
334	F	95	Very high	93.7	Very high	11 Å²	11	59 Å²	59	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-50.9	171.6	155.5	-101.2	0	0	0	111.6	I136 I316 H318 Y327 N330 Y331 D332 K336 T337 R338	I136-F334 HydrophobicContact CD1-CD1 3.73Å; I136-F334 HydrophobicContact CD1-CD2 4.47Å; I136-F334 HydrophobicContact CD1-CE1 3.17Å; I136-F334 HydrophobicContact CD1-CE2 4Å; I136-F334 HydrophobicContact CD1-CG 4.36Å; I136-F334 HydrophobicContact CD1-CZ 3.34Å; I316-F334 HydrophobicContact CB-CB 3.94Å; I316-F334 HydrophobicContact CB-CD2 4.38Å; I316-F334 HydrophobicContact CB-CG 4.12Å; I316-F334 HydrophobicContact CG1-CB 3.76Å; I316-F334 HydrophobicContact CG1-CG 4.3Å; I316-F334 HydrophobicContact CG2-CB 4.18Å; I316-F334 HydrophobicContact CG2-CD1 4.18Å; I316-F334 HydrophobicContact CG2-CD2 3.98Å; I316-F334 HydrophobicContact CG2-CE2 4.48Å; I316-F334 HydrophobicContact CG2-CG 3.81Å; H318-F334 HydrophobicContact CB-CE2 4.1Å; H318-F334 HydrophobicContact CB-CZ 4.45Å; H318-F334 AromaticContact ND1-CE2 3.6Å; H318-F334 AromaticContact ND1-CZ 3.51Å; Y327-F334 AromaticContact CD1-CD2 3.89Å; Y327-F334 HydrophobicContact CD1-CD2 3.89Å; Y327-F334 HydrophobicContact CD1-CE2 4.46Å; Y327-F334 AromaticContact CD2-CD2 3.56Å; Y327-F334 HydrophobicContact CD2-CD2 3.56Å; Y327-F334 AromaticContact CD2-CE2 3.86Å; Y327-F334 HydrophobicContact CD2-CE2 3.86Å; Y327-F334 HydrophobicContact CE1-CD2 4.17Å; Y327-F334 HydrophobicContact CE1-CE2 4.29Å; Y327-F334 AromaticContact CE2-CD2 3.89Å; Y327-F334 HydrophobicContact CE2-CD2 3.89Å; Y327-F334 AromaticContact CE2-CE2 3.71Å; Y327-F334 HydrophobicContact CE2-CE2 3.71Å; Y327-F334 AromaticContact CG-CD2 3.58Å; Y327-F334 HydrophobicContact CG-CD2 3.58Å; Y327-F334 HydrophobicContact CG-CE2 4.26Å; Y327-F334 AromaticContact CZ-CE2 3.94Å; N330-F334 PolarHBondContact O-N 2.74Å; Y331-F334 HydrophobicContact CD2-CD1 4.03Å; Y331-F334 HydrophobicContact CE2-CD1 4Å; Y331-F334 HydrophobicContact CE2-CE1 4.13Å; Y331-F334 WeakPolarHBondContact O-CA 3.32Å; Y331-F334 VanDerWaalsContact O-CB 3.31Å; Y331-F334 WeakPolarHBondContact O-CB 3.32Å; Y331-F334 PolarHBondContact O-N 3.07Å; Y331-F334 VanDerWaalsContact O-N 3.12Å; D332-F334 VanDerWaalsContact C-N 3.33Å; F334-K336 VanDerWaalsContact C-N 3.35Å; F334-K336 PolarHBondContact O-N 3.1Å; F334-T337 PolarHBondContact O-N 3.38Å; F334-R338 HydrophobicContact CE2-CB 4.15Å; F334-R338 HydrophobicContact CE2-CG 4.4Å; F334-R338 HydrophobicContact CZ-CB 4.31Å; F334-R338 HydrophobicContact CZ-CG 4.33Å; F334-R338 WeakPolarHBondContact O-CB 3.42Å; F334-R338 PolarHBondContact O-N 3.08Å
335	V	91.6	Very high	93.4	Very high	49 Å²	49	60.9 Å²	60.9	30%	0.297	31%	0.313	S	S	.	.	H	α-helix	trans	-58.8	-47.5	-178.9	172.4	0	0	0	0	110.5	Y331 D332 R338 L339	Y331-V335 HydrophobicContact CD1-CG2 3.75Å; Y331-V335 HydrophobicContact CE1-CG2 3.36Å; Y331-V335 WeakPolarHBondContact O-CG2 3.11Å; Y331-V335 PolarHBondContact O-N 2.95Å; D332-V335 PolarHBondContact O-N 3.49Å; V335-R338 WeakPolarHBondContact O-CB 3.4Å; V335-R338 PolarHBondContact O-N 3.36Å; V335-L339 HydrophobicContact CG1-CD1 4.17Å; V335-L339 WeakPolarHBondContact O-CG 3.2Å; V335-L339 PolarHBondContact O-N 2.88Å
336	K	94.5	Very high	93.2	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-58.7	-52.5	177	-177.2	179.9	176.3	-177.1	0	111.9	D332 F334 R338 L339 E340	D332-K336 PolarHBondContact O-N 3.17Å; F334-K336 VanDerWaalsContact C-N 3.35Å; F334-K336 PolarHBondContact O-N 3.1Å; K336-R338 PolarHBondContact O-N 3.22Å; K336-L339 PolarHBondContact O-N 3.09Å; K336-E340 WeakPolarHBondContact CE-OE1 3.37Å; K336-E340 WeakPolarHBondContact O-CG 3.44Å; K336-E340 PolarHBondContact O-N 3.25Å; K336-E340 VanDerWaalsContact O-N 3.09Å
337	T	94.2	Very high	93	Very high	51 Å²	51	66 Å²	66	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-37.3	178.7	-55.3	0	0	0	0	111	Y327 Q333 F334 Q341	Y327-T337 HydrophobicContact CD1-CG2 4.03Å; Y327-T337 HydrophobicContact CE1-CG2 4.33Å; Q333-T337 VanDerWaalsContact O-CB 3.32Å; Q333-T337 WeakPolarHBondContact O-CB 3.44Å; Q333-T337 PolarHBondContact O-N 2.94Å; Q333-T337 PolarHBondContact O-OG1 3.29Å; F334-T337 PolarHBondContact O-N 3.38Å; T337-Q341 WeakPolarHBondContact O-CB 3.49Å; T337-Q341 VanDerWaalsContact O-CG 3.28Å; T337-Q341 WeakPolarHBondContact O-CG 3.15Å; T337-Q341 PolarHBondContact O-N 3.33Å
338	R	90.7	Very high	92.7	Very high	44 Å²	44	73.1 Å²	73.1	17%	0.166	36%	0.358	C	S	.	.	H	α-helix	trans	-68.2	-44.9	179.8	-175.8	60.5	-179	160	3.5	111.7	F334 V335 K336 E340 Q341 L342	F334-R338 HydrophobicContact CE2-CB 4.15Å; F334-R338 HydrophobicContact CE2-CG 4.4Å; F334-R338 HydrophobicContact CZ-CB 4.31Å; F334-R338 HydrophobicContact CZ-CG 4.33Å; F334-R338 WeakPolarHBondContact O-CB 3.42Å; F334-R338 PolarHBondContact O-N 3.08Å; V335-R338 WeakPolarHBondContact O-CB 3.4Å; V335-R338 PolarHBondContact O-N 3.36Å; K336-R338 PolarHBondContact O-N 3.22Å; R338-E340 VanDerWaalsContact C-N 3.34Å; R338-E340 PolarHBondContact O-N 3.45Å; R338-Q341 PolarHBondContact O-N 2.9Å; R338-L342 HydrophobicContact CG-CD1 4.18Å; R338-L342 HydrophobicContact CG-CG 4.48Å; R338-L342 VanDerWaalsContact O-CG 3.24Å; R338-L342 WeakPolarHBondContact O-CG 3.29Å; R338-L342 PolarHBondContact O-N 2.91Å
339	L	90	Very high	92.5	Very high	100 Å²	100	71 Å²	71	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-45.7	176.4	-71.2	172.8	0	0	0	111.1	V335 K336 Q341 L342 E343	V335-L339 HydrophobicContact CG1-CD1 4.17Å; V335-L339 WeakPolarHBondContact O-CG 3.2Å; V335-L339 PolarHBondContact O-N 2.88Å; K336-L339 PolarHBondContact O-N 3.09Å; L339-Q341 PolarHBondContact O-N 2.72Å; L339-L342 PolarHBondContact O-N 2.98Å; L339-E343 PolarHBondContact O-N 3.29Å
340	E	94.1	Very high	92.4	Very high	93 Å²	93	75.2 Å²	75.2	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-60	-42.6	175.8	-68.4	172.4	-171.6	0	0	112.1	K336 R338 E343 N344	K336-E340 WeakPolarHBondContact CE-OE1 3.37Å; K336-E340 WeakPolarHBondContact O-CG 3.44Å; K336-E340 PolarHBondContact O-N 3.25Å; K336-E340 VanDerWaalsContact O-N 3.09Å; R338-E340 VanDerWaalsContact C-N 3.34Å; R338-E340 PolarHBondContact O-N 3.45Å; E340-E343 PolarHBondContact O-N 2.75Å; E340-N344 WeakPolarHBondContact O-CB 3.35Å; E340-N344 PolarHBondContact O-N 2.86Å; E340-N344 PolarHBondContact O-ND2 3.39Å; E340-N344 VanDerWaalsContact O-ND2 3.12Å
341	Q	91.2	Very high	92.3	Very high	78 Å²	78	80.8 Å²	80.8	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175	-76	176.7	1.7	0	0	112.6	Y327 T337 R338 L339 N344 Q345	Y327-Q341 PolarHBondContact OH-OE1 2.7Å; T337-Q341 WeakPolarHBondContact O-CB 3.49Å; T337-Q341 VanDerWaalsContact O-CG 3.28Å; T337-Q341 WeakPolarHBondContact O-CG 3.15Å; T337-Q341 PolarHBondContact O-N 3.33Å; R338-Q341 PolarHBondContact O-N 2.9Å; L339-Q341 PolarHBondContact O-N 2.72Å; Q341-N344 PolarHBondContact O-N 3.28Å; Q341-Q345 WeakPolarHBondContact O-CB 3.35Å; Q341-Q345 PolarHBondContact O-N 3.24Å
342	L	89.3	Confident	92.1	Very high	29 Å²	29	81.3 Å²	81.3	15%	0.152	38%	0.377	C	S	.	.	H	α-helix	trans	-67.1	-42.2	178.7	-68.9	172.4	0	0	0	111.4	R338 L339 Q345 M346 V396	R338-L342 HydrophobicContact CG-CD1 4.18Å; R338-L342 HydrophobicContact CG-CG 4.48Å; R338-L342 VanDerWaalsContact O-CG 3.24Å; R338-L342 WeakPolarHBondContact O-CG 3.29Å; R338-L342 PolarHBondContact O-N 2.91Å; L339-L342 PolarHBondContact O-N 2.98Å; L342-Q345 PolarHBondContact O-N 3Å; L342-M346 PolarHBondContact O-N 2.88Å; L342-V396 HydrophobicContact CB-CG1 4.47Å; L342-V396 HydrophobicContact CB-CG2 4.48Å; L342-V396 HydrophobicContact CD2-CG1 3.7Å; L342-V396 HydrophobicContact CD2-CG2 3.99Å
343	E	91.2	Very high	91.9	Very high	115 Å²	115	80.8 Å²	80.8	54%	0.537	37%	0.372	S	S	.	.	H	α-helix	trans	-61.4	-45.2	173.8	-74.2	-174.2	-171.8	0	0	111.8	L339 E340 Q345 M346 K347	L339-E343 PolarHBondContact O-N 3.29Å; E340-E343 PolarHBondContact O-N 2.75Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.78Å; E343-M346 PolarHBondContact O-N 2.86Å; E343-K347 WeakPolarHBondContact O-CG 3.42Å; E343-K347 PolarHBondContact O-N 3.25Å
344	N	93.2	Very high	91.8	Very high	79 Å²	79	78.6 Å²	78.6	42%	0.422	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-40	177.6	-73.5	-28.7	0	0	0	111.9	E340 Q341 K347 R348	E340-N344 WeakPolarHBondContact O-CB 3.35Å; E340-N344 PolarHBondContact O-N 2.86Å; E340-N344 PolarHBondContact O-ND2 3.39Å; E340-N344 VanDerWaalsContact O-ND2 3.12Å; Q341-N344 PolarHBondContact O-N 3.28Å; N344-K347 PolarHBondContact O-N 3.21Å; N344-R348 WeakPolarHBondContact O-CB 3.48Å; N344-R348 VanDerWaalsContact O-CG 3.31Å; N344-R348 WeakPolarHBondContact O-CG 3.47Å; N344-R348 PolarHBondContact O-N 3.04Å
345	Q	90.2	Very high	91.5	Very high	48 Å²	48	81.3 Å²	81.3	22%	0.224	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-44.5	173.9	-175.7	-179.2	-10.4	0	0	111.2	Q341 L342 E343 R348 Y349 T393 E394 V396	Q341-Q345 WeakPolarHBondContact O-CB 3.35Å; Q341-Q345 PolarHBondContact O-N 3.24Å; L342-Q345 PolarHBondContact O-N 3Å; E343-Q345 VanDerWaalsContact C-N 3.33Å; E343-Q345 PolarHBondContact O-N 2.78Å; Q345-R348 PolarHBondContact O-N 3.49Å; Q345-Y349 VanDerWaalsContact O-CB 3.31Å; Q345-Y349 WeakPolarHBondContact O-CB 3.49Å; Q345-Y349 PolarHBondContact O-N 3.34Å; Q345-T393 HydrophobicContact CG-CG2 3.73Å; Q345-E394 PolarHBondContact NE2-O 3.18Å; Q345-V396 HydrophobicContact CB-CG2 3.84Å; Q345-V396 HydrophobicContact CG-CG2 3.75Å
346	M	90.6	Very high	91.4	Very high	61 Å²	61	79.4 Å²	79.4	30%	0.3	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-40.8	177	-78.5	-65.1	-108	0	0	112.8	L342 E343 Y349 N350 K395 V396	L342-M346 PolarHBondContact O-N 2.88Å; E343-M346 PolarHBondContact O-N 2.86Å; M346-Y349 PolarHBondContact O-N 2.96Å; M346-N350 WeakPolarHBondContact O-CB 3.33Å; M346-N350 PolarHBondContact O-N 2.89Å; M346-N350 PolarHBondContact O-ND2 3.26Å; M346-K395 HydrophobicContact CE-CG 4.48Å; M346-K395 HydrophobicContact SD-CG 4.11Å; M346-V396 HydrophobicContact CE-CB 4.41Å; M346-V396 HydrophobicContact CG-CB 3.64Å; M346-V396 HydrophobicContact CG-CG2 3.58Å; M346-V396 HydrophobicContact SD-CB 3.59Å; M346-V396 VanDerWaalsContact SD-CB 3.59Å; M346-V396 HydrophobicContact SD-CG2 3.96Å
347	K	93.4	Very high	91.2	Very high	128 Å²	128	75.7 Å²	75.7	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-62.8	-45.4	175.3	-71.2	173	-172.2	168.5	0	111.4	E343 N344 N350 W351	E343-K347 WeakPolarHBondContact O-CG 3.42Å; E343-K347 PolarHBondContact O-N 3.25Å; N344-K347 PolarHBondContact O-N 3.21Å; K347-N350 PolarHBondContact O-N 3.18Å; K347-W351 WeakPolarHBondContact O-CB 3.46Å; K347-W351 PolarHBondContact O-N 2.98Å
348	R	90.4	Very high	90.9	Very high	168 Å²	168	78.3 Å²	78.3	63%	0.634	38%	0.376	S	S	*	.	H	α-helix	trans	-61.7	-46.8	175.5	-73.6	177.8	-174.6	-174.6	1.9	111.7	N344 Q345 N350 W351 E352 T393	N344-R348 WeakPolarHBondContact O-CB 3.48Å; N344-R348 VanDerWaalsContact O-CG 3.31Å; N344-R348 WeakPolarHBondContact O-CG 3.47Å; N344-R348 PolarHBondContact O-N 3.04Å; Q345-R348 PolarHBondContact O-N 3.49Å; R348-N350 PolarHBondContact O-N 3.38Å; R348-W351 PolarHBondContact O-N 3.23Å; R348-E352 WeakPolarHBondContact O-CB 3.23Å; R348-E352 WeakPolarHBondContact O-CG 3.46Å; R348-E352 PolarHBondContact O-N 3.45Å; R348-T393 HydrophobicContact CB-CG2 4.37Å
349	Y	91.3	Very high	90.7	Very high	52 Å²	52	77 Å²	77	20%	0.204	37%	0.372	C	S	.	.	H	α-helix	trans	-54.4	-53.9	174.7	175.1	-102	0	0	0	111.4	Q345 M346 W351 E352 Q353 T393 K395	Q345-Y349 VanDerWaalsContact O-CB 3.31Å; Q345-Y349 WeakPolarHBondContact O-CB 3.49Å; Q345-Y349 PolarHBondContact O-N 3.34Å; M346-Y349 PolarHBondContact O-N 2.96Å; Y349-W351 VanDerWaalsContact C-N 3.3Å; Y349-W351 PolarHBondContact O-N 2.95Å; Y349-E352 PolarHBondContact O-N 2.8Å; Y349-Q353 HydrophobicContact CD1-CG 4.24Å; Y349-Q353 HydrophobicContact CD2-CG 4.05Å; Y349-Q353 HydrophobicContact CE1-CG 3.81Å; Y349-Q353 HydrophobicContact CE2-CG 3.66Å; Y349-Q353 HydrophobicContact CG-CG 4.35Å; Y349-Q353 WeakPolarHBondContact O-CB 3.44Å; Y349-Q353 VanDerWaalsContact O-CG 3.27Å; Y349-Q353 WeakPolarHBondContact O-CG 3.27Å; Y349-Q353 PolarHBondContact O-N 3.13Å; Y349-T393 WeakPolarHBondContact CD2-O 3.46Å; Y349-K395 HydrophobicContact CD1-CB 4.24Å; Y349-K395 HydrophobicContact CD1-CG 4.16Å; Y349-K395 HydrophobicContact CD2-CB 4.2Å; Y349-K395 HydrophobicContact CE1-CB 3.93Å; Y349-K395 HydrophobicContact CE1-CD 4.15Å; Y349-K395 HydrophobicContact CE1-CG 3.87Å; Y349-K395 HydrophobicContact CE2-CB 3.85Å; Y349-K395 HydrophobicContact CG-CB 4.37Å
350	N	93.3	Very high	90.7	Very high	98 Å²	98	78.3 Å²	78.3	52%	0.524	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-39.6	-179.1	-70.3	-18.8	0	0	0	112.1	M346 K347 R348 A354	M346-N350 WeakPolarHBondContact O-CB 3.33Å; M346-N350 PolarHBondContact O-N 2.89Å; M346-N350 PolarHBondContact O-ND2 3.26Å; K347-N350 PolarHBondContact O-N 3.18Å; R348-N350 PolarHBondContact O-N 3.38Å; N350-A354 WeakPolarHBondContact O-CB 3.34Å; N350-A354 PolarHBondContact O-N 3.1Å
351	W	91.6	Very high	90.4	Very high	156 Å²	156	77 Å²	77	59%	0.591	37%	0.369	S	S	*	.	H	α-helix	trans	-65.4	-47.2	176.3	179.7	85.8	0	0	0	112.1	K347 R348 Y349 Q353 A354 Q355	K347-W351 WeakPolarHBondContact O-CB 3.46Å; K347-W351 PolarHBondContact O-N 2.98Å; R348-W351 PolarHBondContact O-N 3.23Å; Y349-W351 VanDerWaalsContact C-N 3.3Å; Y349-W351 PolarHBondContact O-N 2.95Å; W351-Q353 PolarHBondContact O-N 2.85Å; W351-A354 PolarHBondContact O-N 3.16Å; W351-Q355 HydrophobicContact CD2-CG 4.15Å; W351-Q355 HydrophobicContact CE3-CG 4.4Å; W351-Q355 HydrophobicContact CH2-CG 4.16Å; W351-Q355 HydrophobicContact CZ2-CG 3.9Å; W351-Q355 HydrophobicContact CZ3-CG 4.4Å; W351-Q355 WeakPolarHBondContact O-CG 3.44Å; W351-Q355 PolarHBondContact O-N 3.24Å
352	E	88.9	Confident	90	Very high	33 Å²	33	74.7 Å²	74.7	15%	0.154	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-42.6	176.9	-73.8	176.1	-168.2	0	0	111.6	R348 Y349 A354 Q355 V356 L392 T393	R348-E352 WeakPolarHBondContact O-CB 3.23Å; R348-E352 WeakPolarHBondContact O-CG 3.46Å; R348-E352 PolarHBondContact O-N 3.45Å; Y349-E352 PolarHBondContact O-N 2.8Å; E352-A354 VanDerWaalsContact C-N 3.34Å; E352-A354 PolarHBondContact O-N 3.05Å; E352-Q355 PolarHBondContact O-N 3.01Å; E352-V356 WeakPolarHBondContact O-CB 3.44Å; E352-V356 VanDerWaalsContact O-CG2 3.23Å; E352-V356 WeakPolarHBondContact O-CG2 3.5Å; E352-V356 PolarHBondContact O-N 3.31Å; E352-L392 HydrophobicContact CB-CD2 4.4Å; E352-T393 VanDerWaalsContact CD-OG1 3.23Å; E352-T393 PolarHBondContact OE1-OG1 2.73Å; E352-T393 WeakPolarHBondContact OE2-CB 3.34Å; E352-T393 PolarHBondContact OE2-N 3.18Å; E352-T393 PolarHBondContact OE2-OG1 3.07Å; E352-T393 VanDerWaalsContact OE2-OG1 3.1Å
353	Q	90.1	Very high	89.7	Confident	65 Å²	65	75 Å²	75	30%	0.304	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-39	176.3	-67.8	-51.8	-50.9	0	0	111.9	Y349 W351 V356 A357	Y349-Q353 HydrophobicContact CD1-CG 4.24Å; Y349-Q353 HydrophobicContact CD2-CG 4.05Å; Y349-Q353 HydrophobicContact CE1-CG 3.81Å; Y349-Q353 HydrophobicContact CE2-CG 3.66Å; Y349-Q353 HydrophobicContact CG-CG 4.35Å; Y349-Q353 WeakPolarHBondContact O-CB 3.44Å; Y349-Q353 VanDerWaalsContact O-CG 3.27Å; Y349-Q353 WeakPolarHBondContact O-CG 3.27Å; Y349-Q353 PolarHBondContact O-N 3.13Å; W351-Q353 PolarHBondContact O-N 2.85Å; Q353-V356 PolarHBondContact O-N 2.81Å; Q353-A357 VanDerWaalsContact O-CB 3.3Å; Q353-A357 WeakPolarHBondContact O-CB 3.32Å; Q353-A357 PolarHBondContact O-N 2.92Å
354	A	92.2	Very high	89.4	Confident	59 Å²	59	73.3 Å²	73.3	49%	0.488	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-40.7	174.4	0	0	0	0	0	112.1	N350 W351 E352 A357 H358	N350-A354 WeakPolarHBondContact O-CB 3.34Å; N350-A354 PolarHBondContact O-N 3.1Å; W351-A354 PolarHBondContact O-N 3.16Å; E352-A354 VanDerWaalsContact C-N 3.34Å; E352-A354 PolarHBondContact O-N 3.05Å; A354-A357 PolarHBondContact O-N 2.97Å; A354-H358 WeakPolarHBondContact O-CB 3.47Å; A354-H358 PolarHBondContact O-N 3.09Å
355	Q	89.4	Confident	88.8	Confident	69 Å²	69	77.7 Å²	77.7	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-47.4	174.3	-71.9	-63.7	-23.4	0	0	111.5	W351 E352 A357 H358 M359	W351-Q355 HydrophobicContact CD2-CG 4.15Å; W351-Q355 HydrophobicContact CE3-CG 4.4Å; W351-Q355 HydrophobicContact CH2-CG 4.16Å; W351-Q355 HydrophobicContact CZ2-CG 3.9Å; W351-Q355 HydrophobicContact CZ3-CG 4.4Å; W351-Q355 WeakPolarHBondContact O-CG 3.44Å; W351-Q355 PolarHBondContact O-N 3.24Å; E352-Q355 PolarHBondContact O-N 3.01Å; Q355-A357 VanDerWaalsContact C-N 3.31Å; Q355-A357 PolarHBondContact O-N 3.01Å; Q355-H358 PolarHBondContact O-N 2.88Å; Q355-M359 WeakPolarHBondContact O-CB 3.26Å; Q355-M359 VanDerWaalsContact O-CG 3.27Å; Q355-M359 WeakPolarHBondContact O-CG 3.42Å; Q355-M359 PolarHBondContact O-N 2.86Å
356	V	88.7	Confident	88.3	Confident	9 Å²	9	79 Å²	79	6%	0.055	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-44.5	176.4	168.3	0	0	0	0	110.6	E352 Q353 M359 K360 L384 L392	E352-V356 WeakPolarHBondContact O-CB 3.44Å; E352-V356 VanDerWaalsContact O-CG2 3.23Å; E352-V356 WeakPolarHBondContact O-CG2 3.5Å; E352-V356 PolarHBondContact O-N 3.31Å; Q353-V356 PolarHBondContact O-N 2.81Å; V356-M359 PolarHBondContact O-N 3.5Å; V356-K360 HydrophobicContact CG1-CD 4.07Å; V356-K360 WeakPolarHBondContact O-CB 3.44Å; V356-K360 VanDerWaalsContact O-CG 3.29Å; V356-K360 WeakPolarHBondContact O-CG 3.31Å; V356-K360 PolarHBondContact O-N 3.04Å; V356-L384 HydrophobicContact CB-CD1 4.24Å; V356-L384 HydrophobicContact CG1-CD1 4.08Å; V356-L384 HydrophobicContact CG2-CD1 3.85Å; V356-L392 HydrophobicContact CG2-CD2 4.06Å
357	A	90.7	Very high	87.1	Confident	55 Å²	55	77.4 Å²	77.4	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-47.8	177.1	0	0	0	0	0	111.9	Q353 A354 Q355 M359 K360 D361	Q353-A357 VanDerWaalsContact O-CB 3.3Å; Q353-A357 WeakPolarHBondContact O-CB 3.32Å; Q353-A357 PolarHBondContact O-N 2.92Å; A354-A357 PolarHBondContact O-N 2.97Å; Q355-A357 VanDerWaalsContact C-N 3.31Å; Q355-A357 PolarHBondContact O-N 3.01Å; A357-M359 PolarHBondContact O-N 2.91Å; A357-K360 PolarHBondContact O-N 2.86Å; A357-D361 WeakPolarHBondContact O-CB 3.38Å; A357-D361 PolarHBondContact O-N 3.04Å
358	H	89.1	Confident	85.9	Confident	106 Å²	106	80.5 Å²	80.5	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-40.2	178.7	177.3	-109.8	0	0	0	112.4	A354 Q355 Y362	A354-H358 WeakPolarHBondContact O-CB 3.47Å; A354-H358 PolarHBondContact O-N 3.09Å; Q355-H358 PolarHBondContact O-N 2.88Å; H358-Y362 WeakPolarHBondContact O-CB 3.3Å; H358-Y362 PolarHBondContact O-N 3.34Å
359	M	85.9	Confident	84.8	Confident	15 Å²	15	75 Å²	75	7%	0.074	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-42.2	176.1	-69.5	178.1	78.6	0	0	111.9	Q355 V356 A357 Y362 I363 K380 V383 L384 M387	Q355-M359 WeakPolarHBondContact O-CB 3.26Å; Q355-M359 VanDerWaalsContact O-CG 3.27Å; Q355-M359 WeakPolarHBondContact O-CG 3.42Å; Q355-M359 PolarHBondContact O-N 2.86Å; V356-M359 PolarHBondContact O-N 3.5Å; A357-M359 PolarHBondContact O-N 2.91Å; M359-Y362 PolarHBondContact O-N 2.92Å; M359-I363 WeakPolarHBondContact O-CD1 3.35Å; M359-I363 VanDerWaalsContact O-CG1 3.22Å; M359-I363 WeakPolarHBondContact O-CG1 3.46Å; M359-I363 PolarHBondContact O-N 3.18Å; M359-K380 HydrophobicContact CE-CB 3.91Å; M359-K380 HydrophobicContact CE-CG 4.4Å; M359-K380 WeakPolarHBondContact CE-O 3.48Å; M359-V383 HydrophobicContact CE-CB 3.84Å; M359-V383 HydrophobicContact CE-CG1 3.85Å; M359-L384 HydrophobicContact CE-CB 3.83Å; M359-L384 HydrophobicContact SD-CB 4.42Å; M359-L384 HydrophobicContact SD-CD1 4.48Å; M359-M387 HydrophobicContact SD-SD 4.19Å
360	K	89.1	Confident	83.8	Confident	129 Å²	129	76 Å²	76	56%	0.561	41%	0.405	S	S	*	.	H	α-helix	trans	-62.7	-45.7	175.5	-76.6	179.4	176.9	-177	0	112	V356 A357 Y362 I363 A364 L384	V356-K360 HydrophobicContact CG1-CD 4.07Å; V356-K360 WeakPolarHBondContact O-CB 3.44Å; V356-K360 VanDerWaalsContact O-CG 3.29Å; V356-K360 WeakPolarHBondContact O-CG 3.31Å; V356-K360 PolarHBondContact O-N 3.04Å; A357-K360 PolarHBondContact O-N 2.86Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 2.94Å; K360-I363 PolarHBondContact O-N 2.81Å; K360-A364 WeakPolarHBondContact O-CB 3.45Å; K360-A364 PolarHBondContact O-N 3.25Å; K360-L384 HydrophobicContact CG-CD2 3.93Å
361	D	88.8	Confident	83.1	Confident	64 Å²	64	74.6 Å²	74.6	34%	0.342	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-41	176.1	179.9	59.6	0	0	0	111.3	A357 A364 R365	A357-D361 WeakPolarHBondContact O-CB 3.38Å; A357-D361 PolarHBondContact O-N 3.04Å; D361-A364 PolarHBondContact O-N 2.99Å; D361-R365 WeakPolarHBondContact O-CB 3.37Å; D361-R365 VanDerWaalsContact O-CG 3.29Å; D361-R365 WeakPolarHBondContact O-CG 3.34Å; D361-R365 PolarHBondContact O-N 2.85Å; D361-R365 IonicContact OD1-CZ 3.32Å; D361-R365 IonicContact OD1-NE 2.83Å; D361-R365 PolarHBondContact OD1-NE 3.29Å; D361-R365 IonicContact OD1-NH2 3.05Å; D361-R365 PolarHBondContact OD1-NH2 2.85Å; D361-R365 IonicContact OD2-CZ 3Å; D361-R365 IonicContact OD2-NE 3Å; D361-R365 PolarHBondContact OD2-NE 3.1Å; D361-R365 IonicContact OD2-NH1 3.76Å; D361-R365 IonicContact OD2-NH2 2.96Å; D361-R365 PolarHBondContact OD2-NH2 3.01Å
362	Y	83.5	Confident	82.5	Confident	31 Å²	31	75.4 Å²	75.4	12%	0.122	42%	0.415	C	S	.	.	H	α-helix	trans	-62.6	-44.8	174.9	-167.1	-82.8	0	0	0	112.7	H358 M359 K360 A364 R365 F366 Q376 K380	H358-Y362 WeakPolarHBondContact O-CB 3.3Å; H358-Y362 PolarHBondContact O-N 3.34Å; M359-Y362 PolarHBondContact O-N 2.92Å; K360-Y362 VanDerWaalsContact C-N 3.32Å; K360-Y362 PolarHBondContact O-N 2.94Å; Y362-A364 VanDerWaalsContact C-N 3.33Å; Y362-R365 PolarHBondContact O-N 2.8Å; Y362-F366 HydrophobicContact CD1-CB 4.4Å; Y362-F366 AromaticContact CD1-CD2 3.93Å; Y362-F366 HydrophobicContact CD1-CD2 3.93Å; Y362-F366 AromaticContact CD2-CD2 3.59Å; Y362-F366 HydrophobicContact CD2-CD2 3.59Å; Y362-F366 AromaticContact CD2-CE2 3.73Å; Y362-F366 HydrophobicContact CD2-CE2 3.73Å; Y362-F366 HydrophobicContact CE1-CB 4.09Å; Y362-F366 AromaticContact CE1-CD2 3.85Å; Y362-F366 HydrophobicContact CE1-CD2 3.85Å; Y362-F366 HydrophobicContact CE1-CG 4.3Å; Y362-F366 AromaticContact CE2-CD2 3.51Å; Y362-F366 HydrophobicContact CE2-CD2 3.51Å; Y362-F366 AromaticContact CE2-CE2 3.63Å; Y362-F366 HydrophobicContact CE2-CE2 3.63Å; Y362-F366 HydrophobicContact CE2-CG 4.48Å; Y362-F366 AromaticContact CG-CD2 3.8Å; Y362-F366 HydrophobicContact CG-CD2 3.8Å; Y362-F366 HydrophobicContact CG-CE2 4.36Å; Y362-F366 AromaticContact CZ-CD2 3.63Å; Y362-F366 WeakPolarHBondContact O-CB 3.5Å; Y362-F366 WeakPolarHBondContact O-CD2 3.26Å; Y362-F366 PolarHBondContact O-N 3.37Å; Y362-Q376 HydrophobicContact CE1-CG 4.33Å; Y362-Q376 PolarHBondContact OH-OE1 3.39Å; Y362-K380 HydrophobicContact CD1-CD 3.59Å; Y362-K380 HydrophobicContact CE1-CD 4.04Å; Y362-K380 VanDerWaalsContact CE2-NZ 3.34Å; Y362-K380 HydrophobicContact CG-CD 3.91Å; Y362-K380 VanDerWaalsContact CG-NZ 3.25Å
363	I	82.4	Confident	82	Confident	36 Å²	36	76.7 Å²	76.7	19%	0.185	42%	0.422	C	S	.	.	H	α-helix	trans	-63.6	-41.8	177.7	-67	160.7	0	0	0	110.1	M359 K360 G367 E381 L384	M359-I363 WeakPolarHBondContact O-CD1 3.35Å; M359-I363 VanDerWaalsContact O-CG1 3.22Å; M359-I363 WeakPolarHBondContact O-CG1 3.46Å; M359-I363 PolarHBondContact O-N 3.18Å; K360-I363 PolarHBondContact O-N 2.81Å; I363-G367 WeakPolarHBondContact O-CA 3.33Å; I363-G367 PolarHBondContact O-N 3.35Å; I363-E381 HydrophobicContact CD1-CB 3.84Å; I363-E381 HydrophobicContact CD1-CG 4.38Å; I363-E381 HydrophobicContact CG1-CB 4.45Å; I363-L384 HydrophobicContact CD1-CD2 4.31Å
364	A	83.9	Confident	81.6	Confident	78 Å²	78	74.5 Å²	74.5	65%	0.645	42%	0.416	S	S	*	.	H	α-helix	trans	-63.4	-42.8	176.9	0	0	0	0	0	112.3	K360 D361 Y362	K360-A364 WeakPolarHBondContact O-CB 3.45Å; K360-A364 PolarHBondContact O-N 3.25Å; D361-A364 PolarHBondContact O-N 2.99Å; Y362-A364 VanDerWaalsContact C-N 3.33Å
365	R	80.7	Confident	81.1	Confident	172 Å²	172	80.7 Å²	80.7	65%	0.649	43%	0.426	S	S	*	.	H	α-helix	trans	-74.5	-35.6	-178.6	-71.1	178.9	-167.7	-165.3	7.9	113.9	D361 Y362	D361-R365 WeakPolarHBondContact O-CB 3.37Å; D361-R365 VanDerWaalsContact O-CG 3.29Å; D361-R365 WeakPolarHBondContact O-CG 3.34Å; D361-R365 PolarHBondContact O-N 2.85Å; D361-R365 IonicContact OD1-CZ 3.32Å; D361-R365 IonicContact OD1-NE 2.83Å; D361-R365 PolarHBondContact OD1-NE 3.29Å; D361-R365 IonicContact OD1-NH2 3.05Å; D361-R365 PolarHBondContact OD1-NH2 2.85Å; D361-R365 IonicContact OD2-CZ 3Å; D361-R365 IonicContact OD2-NE 3Å; D361-R365 PolarHBondContact OD2-NE 3.1Å; D361-R365 IonicContact OD2-NH1 3.76Å; D361-R365 IonicContact OD2-NH2 2.96Å; D361-R365 PolarHBondContact OD2-NH2 3.01Å; Y362-R365 PolarHBondContact O-N 2.8Å
366	F	80.2	Confident	80.8	Confident	76 Å²	76	82 Å²	82	33%	0.333	43%	0.432	S	S	.	.	H	α-helix	trans	-119.6	2.4	-168.7	-58.1	-68.5	0	0	0	114.5	Y362 H368 L373	Y362-F366 HydrophobicContact CD1-CB 4.4Å; Y362-F366 AromaticContact CD1-CD2 3.93Å; Y362-F366 HydrophobicContact CD1-CD2 3.93Å; Y362-F366 AromaticContact CD2-CD2 3.59Å; Y362-F366 HydrophobicContact CD2-CD2 3.59Å; Y362-F366 AromaticContact CD2-CE2 3.73Å; Y362-F366 HydrophobicContact CD2-CE2 3.73Å; Y362-F366 HydrophobicContact CE1-CB 4.09Å; Y362-F366 AromaticContact CE1-CD2 3.85Å; Y362-F366 HydrophobicContact CE1-CD2 3.85Å; Y362-F366 HydrophobicContact CE1-CG 4.3Å; Y362-F366 AromaticContact CE2-CD2 3.51Å; Y362-F366 HydrophobicContact CE2-CD2 3.51Å; Y362-F366 AromaticContact CE2-CE2 3.63Å; Y362-F366 HydrophobicContact CE2-CE2 3.63Å; Y362-F366 HydrophobicContact CE2-CG 4.48Å; Y362-F366 AromaticContact CG-CD2 3.8Å; Y362-F366 HydrophobicContact CG-CD2 3.8Å; Y362-F366 HydrophobicContact CG-CE2 4.36Å; Y362-F366 AromaticContact CZ-CD2 3.63Å; Y362-F366 WeakPolarHBondContact O-CB 3.5Å; Y362-F366 WeakPolarHBondContact O-CD2 3.26Å; Y362-F366 PolarHBondContact O-N 3.37Å; F366-H368 VanDerWaalsContact C-N 3.32Å; F366-H368 PolarHBondContact O-N 3.18Å; F366-L373 HydrophobicContact CB-CB 4.44Å; F366-L373 HydrophobicContact CB-CD2 4.32Å; F366-L373 HydrophobicContact CD1-CD2 3.59Å; F366-L373 HydrophobicContact CE1-CD2 4.03Å; F366-L373 HydrophobicContact CG-CD2 3.99Å
367	G	65.6	Low	80.5	Confident	27 Å²	27	81.7 Å²	81.7	28%	0.278	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.5	180	0	0	0	0	0	114.4	I363	I363-G367 WeakPolarHBondContact O-CA 3.33Å; I363-G367 PolarHBondContact O-N 3.35Å
368	H	69	Low	80.2	Confident	193 Å²	193	85 Å²	85	89%	0.894	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	61.5	-177.5	-58.1	-71.9	0	0	0	111.5	F366	F366-H368 VanDerWaalsContact C-N 3.32Å; F366-H368 PolarHBondContact O-N 3.18Å
369	G	66.6	Low	79.8	Confident	51 Å²	51	83.3 Å²	83.3	53%	0.526	44%	0.437	S	S	.	.	S	Bend	trans	-150.2	-154.2	-176.4	0	0	0	0	0	114.2	A371	G369-A371 PolarHBondContact O-N 2.95Å
370	S	70.9	Confident	79.8	Confident	73 Å²	73	84.9 Å²	84.9	51%	0.51	44%	0.444	S	S	.	.			trans	-43.3	135.8	178.6	166.8	0	0	0	0	112.6	K372 L373 A374	S370-K372 PolarHBondContact O-N 2.8Å; S370-L373 WeakPolarHBondContact O-CA 3.36Å; S370-L373 WeakPolarHBondContact O-CB 3.32Å; S370-L373 PolarHBondContact O-N 3.08Å; S370-A374 PolarHBondContact O-N 3.38Å
371	A	77	Confident	79.7	Confident	69 Å²	69	84 Å²	84	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-52.2	-33.2	-175.7	0	0	0	0	0	113.7	G369 R375	G369-A371 PolarHBondContact O-N 2.95Å; A371-R375 VanDerWaalsContact O-CG 3.27Å; A371-R375 WeakPolarHBondContact O-CG 3.42Å; A371-R375 PolarHBondContact O-N 3.4Å
372	K	80.2	Confident	79.7	Confident	174 Å²	174	88 Å²	88	76%	0.757	46%	0.456	S	S	*	.	H	α-helix	trans	-68.9	-43.1	175.9	-169.7	-179.4	-179	-179.1	0	112	S370 Q376	S370-K372 PolarHBondContact O-N 2.8Å; K372-Q376 PolarHBondContact O-N 2.77Å
373	L	78.6	Confident	79.9	Confident	59 Å²	59	89.9 Å²	89.9	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-73.2	-40.3	-179.8	-79.1	136.4	0	0	0	111.7	F366 S370 R375 Q376 A377	F366-L373 HydrophobicContact CB-CB 4.44Å; F366-L373 HydrophobicContact CB-CD2 4.32Å; F366-L373 HydrophobicContact CD1-CD2 3.59Å; F366-L373 HydrophobicContact CE1-CD2 4.03Å; F366-L373 HydrophobicContact CG-CD2 3.99Å; S370-L373 WeakPolarHBondContact O-CA 3.36Å; S370-L373 WeakPolarHBondContact O-CB 3.32Å; S370-L373 PolarHBondContact O-N 3.08Å; L373-R375 PolarHBondContact O-N 2.61Å; L373-Q376 WeakPolarHBondContact O-CB 3.5Å; L373-Q376 PolarHBondContact O-N 3.25Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; L373-A377 PolarHBondContact O-N 3.25Å
374	A	80.4	Confident	80.1	Confident	20 Å²	20	89.1 Å²	89.1	17%	0.165	47%	0.467	C	S	.	.	H	α-helix	trans	-60.9	-43.6	175.3	0	0	0	0	0	111.9	S370 Q376 A377 Q378	S370-A374 PolarHBondContact O-N 3.38Å; A374-Q376 VanDerWaalsContact C-N 3.29Å; A374-Q376 PolarHBondContact O-N 3.22Å; A374-A377 PolarHBondContact O-N 3.21Å; A374-Q378 WeakPolarHBondContact O-CG 3.37Å; A374-Q378 PolarHBondContact O-N 3.1Å
375	R	82.2	Confident	80.2	Confident	189 Å²	189	87.4 Å²	87.4	71%	0.713	46%	0.456	S	S	*	.	H	α-helix	trans	-60.5	-37.5	173.1	-75	176.3	-177.6	-178.6	1.7	112.5	A371 L373 S379	A371-R375 VanDerWaalsContact O-CG 3.27Å; A371-R375 WeakPolarHBondContact O-CG 3.42Å; A371-R375 PolarHBondContact O-N 3.4Å; L373-R375 PolarHBondContact O-N 2.61Å; R375-S379 PolarHBondContact O-N 3.08Å
376	Q	83.7	Confident	80.5	Confident	95 Å²	95	85.9 Å²	85.9	44%	0.444	45%	0.454	S	S	.	.	H	α-helix	trans	-71.2	-37.3	177.3	-167.2	177.1	12	0	0	112.3	Y362 K372 L373 A374 S379 K380	Y362-Q376 HydrophobicContact CE1-CG 4.33Å; Y362-Q376 PolarHBondContact OH-OE1 3.39Å; K372-Q376 PolarHBondContact O-N 2.77Å; L373-Q376 WeakPolarHBondContact O-CB 3.5Å; L373-Q376 PolarHBondContact O-N 3.25Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; A374-Q376 VanDerWaalsContact C-N 3.29Å; A374-Q376 PolarHBondContact O-N 3.22Å; Q376-S379 PolarHBondContact O-N 2.84Å; Q376-K380 PolarHBondContact O-N 3Å
377	A	82.1	Confident	80.7	Confident	3 Å²	3	84.6 Å²	84.6	3%	0.025	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-47.4	173.9	0	0	0	0	0	111.3	L373 A374 S379 K380 E381	L373-A377 PolarHBondContact O-N 3.25Å; A374-A377 PolarHBondContact O-N 3.21Å; A377-S379 VanDerWaalsContact C-N 3.29Å; A377-S379 PolarHBondContact O-N 3.43Å; A377-K380 PolarHBondContact O-N 2.87Å; A377-K380 VanDerWaalsContact O-N 3.1Å; A377-E381 PolarHBondContact O-N 2.91Å
378	Q	84.4	Confident	81.5	Confident	124 Å²	124	87.1 Å²	87.1	58%	0.579	46%	0.46	S	S	*	.	H	α-helix	trans	-59.1	-38.7	174.2	-72.2	176.3	-6.2	0	0	112.5	A374 E381 K382	A374-Q378 WeakPolarHBondContact O-CG 3.37Å; A374-Q378 PolarHBondContact O-N 3.1Å; Q378-E381 WeakPolarHBondContact O-CB 3.32Å; Q378-E381 PolarHBondContact O-N 3.16Å; Q378-K382 PolarHBondContact O-N 3.11Å
379	S	81.6	Confident	82.1	Confident	72 Å²	72	82.1 Å²	82.1	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174.5	-174	0	0	0	0	112	R375 Q376 A377 K382 V383	R375-S379 PolarHBondContact O-N 3.08Å; Q376-S379 PolarHBondContact O-N 2.84Å; A377-S379 VanDerWaalsContact C-N 3.29Å; A377-S379 PolarHBondContact O-N 3.43Å; S379-K382 PolarHBondContact O-N 3.21Å; S379-V383 WeakPolarHBondContact O-CG2 3.32Å; S379-V383 PolarHBondContact O-N 3.4Å; S379-V383 VanDerWaalsContact O-N 3.13Å
380	K	85.1	Confident	82.9	Confident	47 Å²	47	84.4 Å²	84.4	20%	0.204	46%	0.46	C	S	.	.	H	α-helix	trans	-67	-37.9	175.9	-74.2	-174.3	-179.5	-179.7	0	111.5	M359 Y362 Q376 A377 K382 V383 L384	M359-K380 HydrophobicContact CE-CB 3.91Å; M359-K380 HydrophobicContact CE-CG 4.4Å; M359-K380 WeakPolarHBondContact CE-O 3.48Å; Y362-K380 HydrophobicContact CD1-CD 3.59Å; Y362-K380 HydrophobicContact CE1-CD 4.04Å; Y362-K380 VanDerWaalsContact CE2-NZ 3.34Å; Y362-K380 HydrophobicContact CG-CD 3.91Å; Y362-K380 VanDerWaalsContact CG-NZ 3.25Å; Q376-K380 PolarHBondContact O-N 3Å; A377-K380 PolarHBondContact O-N 2.87Å; A377-K380 VanDerWaalsContact O-N 3.1Å; K380-K382 VanDerWaalsContact C-N 3.33Å; K380-K382 PolarHBondContact O-N 3.13Å; K380-V383 PolarHBondContact O-N 2.91Å; K380-V383 VanDerWaalsContact O-N 3.16Å; K380-L384 WeakPolarHBondContact O-CB 3.26Å; K380-L384 PolarHBondContact O-N 3.5Å
381	E	87	Confident	83.4	Confident	111 Å²	111	83.2 Å²	83.2	52%	0.519	46%	0.459	S	S	.	.	H	α-helix	trans	-58.3	-45.1	174.2	-173.2	178.8	-171.2	0	0	111.6	I363 A377 Q378 V383 L384 G385	I363-E381 HydrophobicContact CD1-CB 3.84Å; I363-E381 HydrophobicContact CD1-CG 4.38Å; I363-E381 HydrophobicContact CG1-CB 4.45Å; A377-E381 PolarHBondContact O-N 2.91Å; Q378-E381 WeakPolarHBondContact O-CB 3.32Å; Q378-E381 PolarHBondContact O-N 3.16Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.43Å; E381-L384 PolarHBondContact O-N 3.21Å; E381-G385 PolarHBondContact O-N 3.43Å
382	K	88.4	Confident	83.6	Confident	149 Å²	149	82.9 Å²	82.9	65%	0.648	45%	0.447	S	S	*	.	H	α-helix	trans	-62.9	-37.6	174.9	-170.4	173.4	-180	173.6	0	112.7	Q378 S379 K380 K386	Q378-K382 PolarHBondContact O-N 3.11Å; S379-K382 PolarHBondContact O-N 3.21Å; K380-K382 VanDerWaalsContact C-N 3.33Å; K380-K382 PolarHBondContact O-N 3.13Å; K382-K386 WeakPolarHBondContact O-CG 3.28Å; K382-K386 PolarHBondContact O-N 3.35Å; K382-K386 VanDerWaalsContact O-N 3.11Å
383	V	88	Confident	83.7	Confident	70 Å²	70	76.2 Å²	76.2	42%	0.424	42%	0.421	S	S	.	.	H	α-helix	trans	-69.4	-43.2	175.8	173.8	0	0	0	0	111.1	M359 S379 K380 E381 G385 K386 M387	M359-V383 HydrophobicContact CE-CB 3.84Å; M359-V383 HydrophobicContact CE-CG1 3.85Å; S379-V383 WeakPolarHBondContact O-CG2 3.32Å; S379-V383 PolarHBondContact O-N 3.4Å; S379-V383 VanDerWaalsContact O-N 3.13Å; K380-V383 PolarHBondContact O-N 2.91Å; K380-V383 VanDerWaalsContact O-N 3.16Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-V383 PolarHBondContact O-N 3.43Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 2.97Å; V383-K386 WeakPolarHBondContact O-CB 3.47Å; V383-K386 PolarHBondContact O-N 2.87Å; V383-K386 VanDerWaalsContact O-N 3.15Å; V383-M387 HydrophobicContact CG1-SD 4.37Å; V383-M387 WeakPolarHBondContact O-CG 3.41Å; V383-M387 PolarHBondContact O-N 3.29Å
384	L	86.3	Confident	83.8	Confident	20 Å²	20	79.1 Å²	79.1	11%	0.105	43%	0.433	C	S	.	.	H	α-helix	trans	-60.3	-44.3	175.7	179.4	63.2	0	0	0	110.3	V356 M359 K360 I363 K380 E381 K386 M387 V388	V356-L384 HydrophobicContact CB-CD1 4.24Å; V356-L384 HydrophobicContact CG1-CD1 4.08Å; V356-L384 HydrophobicContact CG2-CD1 3.85Å; M359-L384 HydrophobicContact CE-CB 3.83Å; M359-L384 HydrophobicContact SD-CB 4.42Å; M359-L384 HydrophobicContact SD-CD1 4.48Å; K360-L384 HydrophobicContact CG-CD2 3.93Å; I363-L384 HydrophobicContact CD1-CD2 4.31Å; K380-L384 WeakPolarHBondContact O-CB 3.26Å; K380-L384 PolarHBondContact O-N 3.5Å; E381-L384 PolarHBondContact O-N 3.21Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 3.14Å; L384-M387 PolarHBondContact O-N 3.12Å; L384-V388 HydrophobicContact CD1-CG2 4.37Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.37Å
385	G	85.7	Confident	84	Confident	41 Å²	41	84 Å²	84	42%	0.423	45%	0.451	S	S	.	.	H	α-helix	trans	-57.8	-41.5	174.4	0	0	0	0	0	112.6	E381 V383 A389	E381-G385 PolarHBondContact O-N 3.43Å; V383-G385 VanDerWaalsContact C-N 3.31Å; V383-G385 PolarHBondContact O-N 2.97Å; G385-A389 VanDerWaalsContact O-CB 3.28Å; G385-A389 WeakPolarHBondContact O-CB 3.42Å; G385-A389 PolarHBondContact O-N 3.21Å
386	K	88.4	Confident	83.8	Confident	141 Å²	141	76 Å²	76	61%	0.613	42%	0.423	S	S	*	.	H	α-helix	trans	-65.4	-42.9	174	-74.1	-179.6	175.9	-170	0	112.9	K382 V383 L384 V388 A389 S390	K382-K386 WeakPolarHBondContact O-CG 3.28Å; K382-K386 PolarHBondContact O-N 3.35Å; K382-K386 VanDerWaalsContact O-N 3.11Å; V383-K386 WeakPolarHBondContact O-CB 3.47Å; V383-K386 PolarHBondContact O-N 2.87Å; V383-K386 VanDerWaalsContact O-N 3.15Å; L384-K386 VanDerWaalsContact C-N 3.31Å; L384-K386 PolarHBondContact O-N 3.14Å; K386-V388 VanDerWaalsContact C-N 3.33Å; K386-A389 PolarHBondContact O-N 2.95Å; K386-S390 PolarHBondContact O-N 3.44Å; K386-S390 PolarHBondContact O-OG 3.44Å
387	M	83	Confident	83.3	Confident	48 Å²	48	76.2 Å²	76.2	24%	0.236	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-39.1	177.6	-73.1	178.6	66.8	0	0	112.2	M359 V383 L384 S390	M359-M387 HydrophobicContact SD-SD 4.19Å; V383-M387 HydrophobicContact CG1-SD 4.37Å; V383-M387 WeakPolarHBondContact O-CG 3.41Å; V383-M387 PolarHBondContact O-N 3.29Å; L384-M387 PolarHBondContact O-N 3.12Å; M387-S390 PolarHBondContact O-OG 2.84Å
388	V	83.5	Confident	82.5	Confident	81 Å²	81	83.6 Å²	83.6	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-68.6	-40.7	175.1	174.4	0	0	0	0	110.4	L384 K386 S390 G391 L392	L384-V388 HydrophobicContact CD1-CG2 4.37Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 3.37Å; K386-V388 VanDerWaalsContact C-N 3.33Å; V388-S390 VanDerWaalsContact C-N 3.35Å; V388-S390 PolarHBondContact O-N 3.4Å; V388-G391 PolarHBondContact O-N 2.85Å; V388-G391 VanDerWaalsContact O-N 3.16Å; V388-L392 HydrophobicContact CG2-CD1 4.44Å
389	A	82	Confident	81.6	Confident	88 Å²	88	81.4 Å²	81.4	73%	0.727	46%	0.457	S	S	*	.	H	α-helix	trans	-66.5	-31.5	178.1	0	0	0	0	0	113.6	G385 K386 G391	G385-A389 VanDerWaalsContact O-CB 3.28Å; G385-A389 WeakPolarHBondContact O-CB 3.42Å; G385-A389 PolarHBondContact O-N 3.21Å; K386-A389 PolarHBondContact O-N 2.95Å; A389-G391 PolarHBondContact O-N 3.45Å
390	S	82.4	Confident	80.5	Confident	98 Å²	98	87.4 Å²	87.4	69%	0.685	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.7	174.6	55.4	0	0	0	0	114	K386 M387 V388	K386-S390 PolarHBondContact O-N 3.44Å; K386-S390 PolarHBondContact O-OG 3.44Å; M387-S390 PolarHBondContact O-OG 2.84Å; V388-S390 VanDerWaalsContact C-N 3.35Å; V388-S390 PolarHBondContact O-N 3.4Å
391	G	81.3	Confident	79.4	Confident	48 Å²	48	88.6 Å²	88.6	50%	0.495	49%	0.485	S	S	.	.			trans	85.5	128.5	-171.3	0	0	0	0	0	111.3	V388 A389	V388-G391 PolarHBondContact O-N 2.85Å; V388-G391 VanDerWaalsContact O-N 3.16Å; A389-G391 PolarHBondContact O-N 3.45Å
392	L	80.5	Confident	78.4	Confident	62 Å²	62	87.2 Å²	87.2	33%	0.325	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-83	148.7	172.1	-69.7	164.3	0	0	0	109.5	E352 V356 V388 E394	E352-L392 HydrophobicContact CB-CD2 4.4Å; V356-L392 HydrophobicContact CG2-CD2 4.06Å; V388-L392 HydrophobicContact CG2-CD1 4.44Å; L392-E394 PolarHBondContact O-N 3.17Å
393	T	83.4	Confident	77.7	Confident	34 Å²	34	86.2 Å²	86.2	21%	0.209	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-55.3	133.1	170.1	-63.2	0	0	0	0	108.6	Q345 R348 Y349 E352	Q345-T393 HydrophobicContact CG-CG2 3.73Å; R348-T393 HydrophobicContact CB-CG2 4.37Å; Y349-T393 WeakPolarHBondContact CD2-O 3.46Å; E352-T393 VanDerWaalsContact CD-OG1 3.23Å; E352-T393 PolarHBondContact OE1-OG1 2.73Å; E352-T393 WeakPolarHBondContact OE2-CB 3.34Å; E352-T393 PolarHBondContact OE2-N 3.18Å; E352-T393 PolarHBondContact OE2-OG1 3.07Å; E352-T393 VanDerWaalsContact OE2-OG1 3.1Å
394	E	80.4	Confident	77.6	Confident	121 Å²	121	83.2 Å²	83.2	57%	0.565	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-77.4	144.1	175.6	-68.9	-180	179.1	0	0	110.7	K321 Q345 L392 V396	K321-E394 IonicContact NZ-OE2 3.83Å; K321-E394 PolarHBondContact NZ-OE2 2.88Å; Q345-E394 PolarHBondContact NE2-O 3.18Å; L392-E394 PolarHBondContact O-N 3.17Å; E394-V396 PolarHBondContact O-N 2.83Å
395	K	84.2	Confident	77.7	Confident	122 Å²	122	85.9 Å²	85.9	53%	0.53	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.7	169.4	-169.6	178.8	179.6	-179.5	0	109.2	M346 Y349 V397	M346-K395 HydrophobicContact CE-CG 4.48Å; M346-K395 HydrophobicContact SD-CG 4.11Å; Y349-K395 HydrophobicContact CD1-CB 4.24Å; Y349-K395 HydrophobicContact CD1-CG 4.16Å; Y349-K395 HydrophobicContact CD2-CB 4.2Å; Y349-K395 HydrophobicContact CE1-CB 3.93Å; Y349-K395 HydrophobicContact CE1-CD 4.15Å; Y349-K395 HydrophobicContact CE1-CG 3.87Å; Y349-K395 HydrophobicContact CE2-CB 3.85Å; Y349-K395 HydrophobicContact CG-CB 4.37Å; K395-V397 PolarHBondContact O-N 3.19Å
396	V	79.1	Confident	78	Confident	21 Å²	21	84.2 Å²	84.2	13%	0.127	45%	0.446	C	S	.	.			trans	-64.9	111.9	170.6	174.3	0	0	0	0	108.5	L342 Q345 M346 E394	L342-V396 HydrophobicContact CB-CG1 4.47Å; L342-V396 HydrophobicContact CB-CG2 4.48Å; L342-V396 HydrophobicContact CD2-CG1 3.7Å; L342-V396 HydrophobicContact CD2-CG2 3.99Å; Q345-V396 HydrophobicContact CB-CG2 3.84Å; Q345-V396 HydrophobicContact CG-CG2 3.75Å; M346-V396 HydrophobicContact CE-CB 4.41Å; M346-V396 HydrophobicContact CG-CB 3.64Å; M346-V396 HydrophobicContact CG-CG2 3.58Å; M346-V396 HydrophobicContact SD-CB 3.59Å; M346-V396 VanDerWaalsContact SD-CB 3.59Å; M346-V396 HydrophobicContact SD-CG2 3.96Å; E394-V396 PolarHBondContact O-N 2.83Å
397	V	72.8	Confident	78	Confident	99 Å²	99	79.8 Å²	79.8	60%	0.6	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-98.8	116.9	165.3	-176.5	0	0	0	0	106.1	R320 K395	R320-V397 PolarHBondContact NH2-O 3.46Å; K395-V397 PolarHBondContact O-N 3.19Å
398	Q	65.6	Low	78.4	Confident	158 Å²	158	81 Å²	81	74%	0.738	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-70.4	133.3	164.9	-71.2	177.7	-10.1	0	0	107.3	K400	Q398-K400 PolarHBondContact O-N 3.31Å; Q398-K400 VanDerWaalsContact O-N 3.16Å
399	D	64.4	Low	78.6	Confident	79 Å²	79	77.9 Å²	77.9	42%	0.422	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-61	122.3	171.2	-62.1	-45.6	0	0	0	106.3	R320 V401	R320-D399 IonicContact CZ-OD2 2.58Å; R320-D399 IonicContact NH2-OD2 3.97Å; D399-V401 VanDerWaalsContact C-N 3.33Å; D399-V401 PolarHBondContact O-N 2.88Å
400	K	59	Low	79	Confident	197 Å²	197	75.1 Å²	75.1	86%	0.857	40%	0.396	S	S	*	.			trans	-65.1	97	-177.4	-76.9	-173.8	-179.4	-177.2	0	108.3	Q398 K402	Q398-K400 PolarHBondContact O-N 3.31Å; Q398-K400 VanDerWaalsContact O-N 3.16Å; K400-K402 PolarHBondContact O-N 3.02Å
401	V	62	Low	79.4	Confident	72 Å²	72	79.1 Å²	79.1	44%	0.436	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-67.5	128.7	169.7	-169.5	0	0	0	0	107.1	D399 E571 A575	D399-V401 VanDerWaalsContact C-N 3.33Å; D399-V401 PolarHBondContact O-N 2.88Å; V401-E571 HydrophobicContact CB-CB 4.49Å; V401-E571 HydrophobicContact CG1-CB 3.83Å; V401-E571 WeakPolarHBondContact CG1-O 3.13Å; V401-E571 HydrophobicContact CG2-CB 3.79Å; V401-E571 HydrophobicContact CG2-CG 4.1Å; V401-A575 HydrophobicContact CG1-CB 4.09Å
402	K	65.9	Low	79.9	Confident	82 Å²	82	77.1 Å²	77.1	36%	0.357	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-90.8	126.8	-176.2	-60	-175.1	-180	165.5	0	108.5	K400 G525	K400-K402 PolarHBondContact O-N 3.02Å; K402-G525 PolarHBondContact NZ-O 3.3Å
403	Q	73.7	Confident	80.3	Confident	128 Å²	128	77.2 Å²	77.2	60%	0.598	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-79.7	132.4	-170.8	-68.8	177.5	-25.6	0	0	112	R523	Q403-R523 VanDerWaalsContact O-O 3.11Å
404	F	85.8	Confident	80.5	Confident	7 Å²	7	79.4 Å²	79.4	3%	0.031	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-73	155.2	163.6	-63.9	-99.6	0	0	0	108.5	Y524 R545 F548 L568 S572 A575 L576 A579	F404-Y524 HydrophobicContact CB-CE1 4.03Å; F404-Y524 AromaticContact CD1-CD1 3.62Å; F404-Y524 HydrophobicContact CD1-CD1 3.62Å; F404-Y524 AromaticContact CD1-CE1 3.54Å; F404-Y524 HydrophobicContact CD1-CE1 3.54Å; F404-Y524 HydrophobicContact CE1-CD1 4.11Å; F404-Y524 HydrophobicContact CE1-CE1 4.4Å; F404-Y524 HydrophobicContact CG-CD1 4.33Å; F404-Y524 HydrophobicContact CG-CE1 4.15Å; F404-R545 HydrophobicContact CE1-CG 4.29Å; F404-R545 HydrophobicContact CZ-CG 4.22Å; F404-F548 HydrophobicContact CD1-CB 4.13Å; F404-F548 HydrophobicContact CD1-CD2 4.09Å; F404-F548 HydrophobicContact CD1-CG 4Å; F404-F548 HydrophobicContact CE1-CB 4.2Å; F404-F548 AromaticContact CE1-CD2 3.56Å; F404-F548 HydrophobicContact CE1-CD2 3.56Å; F404-F548 HydrophobicContact CE1-CE2 4.08Å; F404-F548 AromaticContact CE1-CG 3.93Å; F404-F548 HydrophobicContact CE1-CG 3.93Å; F404-L568 HydrophobicContact CZ-CD1 4.36Å; F404-L568 HydrophobicContact CZ-CD2 4.33Å; F404-S572 WeakPolarHBondContact CE2-O 3.17Å; F404-A575 HydrophobicContact CD2-CB 3.73Å; F404-A575 HydrophobicContact CE2-CB 4.12Å; F404-L576 HydrophobicContact CD1-CD1 4.21Å; F404-L576 HydrophobicContact CD2-CB 4.08Å; F404-L576 HydrophobicContact CE2-CB 4.28Å; F404-L576 HydrophobicContact CG-CB 4.35Å; F404-L576 HydrophobicContact CG-CD1 4.31Å; F404-A579 VanDerWaalsContact C-CB 3.47Å; F404-A579 HydrophobicContact CB-CB 3.49Å; F404-A579 VanDerWaalsContact CB-CB 3.49Å; F404-A579 WeakPolarHBondContact O-CB 3.47Å
405	Y	88.8	Confident	80.9	Confident	76 Å²	76	77.2 Å²	77.2	30%	0.298	39%	0.39	S	S	.	.			trans	-158.1	118.6	176.2	176.8	-95.7	0	0	0	112.4	F407 Y524	Y405-F407 HydrophobicContact CD1-CD1 4.29Å; Y405-F407 HydrophobicContact CD1-CE1 4.37Å; Y405-F407 HydrophobicContact CD1-CG 4.43Å; Y405-F407 HydrophobicContact CE1-CB 4.39Å; Y405-F407 AromaticContact CE1-CD1 3.58Å; Y405-F407 HydrophobicContact CE1-CD1 3.58Å; Y405-F407 AromaticContact CE1-CE1 3.93Å; Y405-F407 HydrophobicContact CE1-CE1 3.93Å; Y405-F407 AromaticContact CE1-CG 3.94Å; Y405-F407 HydrophobicContact CE1-CG 3.94Å; Y405-Y524 VanDerWaalsContact C-OH 3.32Å; Y405-Y524 PolarHBondContact N-OH 3.03Å; Y405-Y524 PolarHBondContact O-OH 3.25Å
406	F	91.3	Very high	81.3	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.026	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-93.3	132.6	171.3	-58.9	-74.4	0	0	0	110	F548 L551 A552 L559 L576 A579 I580 F583	F406-F548 HydrophobicContact CE1-CD1 4.3Å; F406-F548 AromaticContact CZ-CD1 3.97Å; F406-F548 HydrophobicContact CZ-CD1 3.97Å; F406-F548 HydrophobicContact CZ-CE1 4.25Å; F406-L551 HydrophobicContact CE1-CD2 4.35Å; F406-A552 HydrophobicContact CD1-CB 3.99Å; F406-A552 HydrophobicContact CE1-CB 4.46Å; F406-L559 HydrophobicContact CB-CD1 4.48Å; F406-L559 HydrophobicContact CD1-CD1 3.85Å; F406-L559 HydrophobicContact CD1-CD2 4.29Å; F406-L559 HydrophobicContact CD2-CD1 3.92Å; F406-L559 HydrophobicContact CE1-CD1 4.01Å; F406-L559 HydrophobicContact CE1-CD2 4.26Å; F406-L559 HydrophobicContact CE2-CD1 4.07Å; F406-L559 HydrophobicContact CG-CD1 3.81Å; F406-L559 HydrophobicContact CZ-CD1 4.11Å; F406-L576 HydrophobicContact CE2-CD1 4.21Å; F406-L576 HydrophobicContact CZ-CD1 4.23Å; F406-A579 HydrophobicContact CD2-CB 4.14Å; F406-A579 HydrophobicContact CE2-CB 4.15Å; F406-I580 HydrophobicContact CE2-CG1 3.97Å; F406-F583 HydrophobicContact CB-CB 4.11Å; F406-F583 HydrophobicContact CB-CD2 3.49Å; F406-F583 VanDerWaalsContact CB-CD2 3.49Å; F406-F583 HydrophobicContact CB-CE2 4.18Å; F406-F583 HydrophobicContact CB-CG 4.01Å; F406-F583 HydrophobicContact CD2-CB 4.35Å; F406-F583 HydrophobicContact CG-CD2 4.4Å
407	F	90.1	Very high	82.1	Confident	49 Å²	49	70.4 Å²	70.4	22%	0.215	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-70.5	147	177	-64.7	-85.4	0	0	0	110.9	Y405 P409 I520 A552 W553 R555	Y405-F407 HydrophobicContact CD1-CD1 4.29Å; Y405-F407 HydrophobicContact CD1-CE1 4.37Å; Y405-F407 HydrophobicContact CD1-CG 4.43Å; Y405-F407 HydrophobicContact CE1-CB 4.39Å; Y405-F407 AromaticContact CE1-CD1 3.58Å; Y405-F407 HydrophobicContact CE1-CD1 3.58Å; Y405-F407 AromaticContact CE1-CE1 3.93Å; Y405-F407 HydrophobicContact CE1-CE1 3.93Å; Y405-F407 AromaticContact CE1-CG 3.94Å; Y405-F407 HydrophobicContact CE1-CG 3.94Å; F407-P409 WeakPolarHBondContact O-CD 3.46Å; F407-I520 HydrophobicContact CE2-CD1 3.6Å; F407-I520 HydrophobicContact CZ-CD1 3.74Å; F407-A552 HydrophobicContact CD2-CB 4.41Å; F407-A552 WeakPolarHBondContact CD2-O 3.44Å; F407-W553 HydrophobicContact CE2-CE3 4.44Å; F407-R555 HydrophobicContact CB-CG 3.96Å; F407-R555 HydrophobicContact CD2-CG 4.48Å; F407-R555 HydrophobicContact CG-CG 4.42Å
408	D	89.9	Confident	83.2	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-53.3	121.1	168.6	172.6	14.3	0	0	0	109.8	G410 R555	D408-G410 VanDerWaalsContact C-N 3.33Å; D408-G410 PolarHBondContact OD1-N 3.06Å; D408-R555 PolarHBondContact O-NE 3.46Å; D408-R555 PolarHBondContact O-NH2 3Å
409	P	88.9	Confident	84.7	Confident	15 Å²	15	61.3 Å²	61.3	10%	0.097	31%	0.311	C	S	.	.			trans	-78.4	-16.5	179.5	32.3	-35	0	0	0	113.7	F407 P556 H557 F583	F407-P409 WeakPolarHBondContact O-CD 3.46Å; P409-P556 VanDerWaalsContact CB-O 3.31Å; P409-P556 WeakPolarHBondContact CB-O 3.42Å; P409-H557 HydrophobicContact CB-CB 4.28Å; P409-H557 PolarHBondContact O-NE2 2.8Å; P409-F583 HydrophobicContact CG-CE2 4.1Å; P409-F583 HydrophobicContact CG-CZ 4.43Å
410	G	89.9	Confident	86.1	Confident	30 Å²	30	60.8 Å²	60.8	31%	0.309	31%	0.306	S	S	.	.			trans	85.6	170.2	-167.5	0	0	0	0	0	112.9	D408	D408-G410 VanDerWaalsContact C-N 3.33Å; D408-G410 PolarHBondContact OD1-N 3.06Å
411	Y	90.9	Very high	87.9	Confident	181 Å²	181	56.1 Å²	56.1	71%	0.71	29%	0.287	S	S	*	.			trans	-85.9	137.2	-174.3	-179.5	-101.3	0	0	0	113	P413 L443	Y411-P413 HydrophobicContact CE1-CB 4.22Å; Y411-L443 HydrophobicContact CD2-CD1 4.48Å
412	I	91	Very high	89.4	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.036	27%	0.266	C	S	.	.			trans	-127.8	130.2	168.4	-66.1	-176.2	0	0	0	107.8	V416 L443 H478 V481 H557	I412-V416 HydrophobicContact CB-CG2 4.38Å; I412-V416 HydrophobicContact CG2-CG1 4.35Å; I412-V416 HydrophobicContact CG2-CG2 4.02Å; I412-L443 HydrophobicContact CB-CD1 4.24Å; I412-H478 HydrophobicContact CG2-CB 3.88Å; I412-H478 VanDerWaalsContact CG2-CG 3.44Å; I412-H478 WeakPolarHBondContact CG2-ND1 3.4Å; I412-V481 HydrophobicContact CD1-CB 4.16Å; I412-V481 HydrophobicContact CD1-CG2 4.38Å; I412-H557 HydrophobicContact CD1-CB 4.18Å; I412-H557 WeakPolarHBondContact CD1-CD2 3.48Å; I412-H557 WeakPolarHBondContact CD1-NE2 3.36Å
413	P	89.4	Confident	90.8	Very high	63 Å²	63	49.5 Å²	49.5	41%	0.409	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-66.3	142.1	177.7	27.9	-34.5	0	0	0	111.6	Y411	Y411-P413 HydrophobicContact CE1-CB 4.22Å
414	P	88.5	Confident	91.8	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	23%	0.228	S	C	.	.	S	Bend	trans	-68.2	154.3	172.9	29.5	-34.5	0	0	0	111.3	D442	P414-D442 WeakPolarHBondContact CB-OD1 3.4Å
415	P	87.8	Confident	92.2	Very high	74 Å²	74	47 Å²	47	48%	0.481	24%	0.24	S	C	.	.	P	Polyproline II helix	cis	-79.1	131.3	-4.5	31.1	-33.1	0	0	0	111.8	M418 D442	P415-M418 HydrophobicContact CB-CB 4.44Å; P415-M418 HydrophobicContact CB-CE 3.68Å; P415-M418 HydrophobicContact CG-CE 4.16Å; P415-D442 WeakPolarHBondContact CA-OD1 3.25Å
416	V	93.6	Very high	92.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	25%	0.249	C	C	.	.	S	Bend	trans	-76.5	-48.6	-178.9	-176.6	0	0	0	0	110.9	I412 I441 D442 L443 H478 V481 I558	I412-V416 HydrophobicContact CB-CG2 4.38Å; I412-V416 HydrophobicContact CG2-CG1 4.35Å; I412-V416 HydrophobicContact CG2-CG2 4.02Å; V416-I441 WeakPolarHBondContact CB-O 3.16Å; V416-D442 HydrophobicContact CG2-CB 4.43Å; V416-D442 PolarHBondContact N-OD1 2.91Å; V416-L443 HydrophobicContact CG2-CD2 4.25Å; V416-L443 HydrophobicContact CG2-CG 4.07Å; V416-H478 PolarHBondContact O-N 3.36Å; V416-V481 HydrophobicContact CG1-CB 4.08Å; V416-V481 HydrophobicContact CG1-CG2 3.42Å; V416-V481 VanDerWaalsContact CG1-CG2 3.42Å; V416-I558 HydrophobicContact CG1-CD1 4.36Å; V416-I558 HydrophobicContact CG1-CG1 4.36Å
417	I	96	Very high	92	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.1	170.7	-53.3	177.4	0	0	0	108.1	V419 G440 I441 I464 I475 R476 R477 I483 I558	I417-V419 HydrophobicContact CG2-CG2 4.43Å; I417-G440 WeakPolarHBondContact O-CA 3.38Å; I417-I441 HydrophobicContact CB-CB 4.2Å; I417-I441 PolarHBondContact N-O 2.8Å; I417-I441 PolarHBondContact O-N 3.16Å; I417-I464 HydrophobicContact CD1-CG2 3.78Å; I417-I464 HydrophobicContact CG2-CD1 4.42Å; I417-I475 HydrophobicContact CG2-CG2 3.96Å; I417-R476 CarbonylContact C-O 3.55Å; I417-R476 VanDerWaalsContact CA-O 3.31Å; I417-R476 WeakPolarHBondContact CA-O 3.23Å; I417-R477 HydrophobicContact CG1-CG 4.27Å; I417-R477 HydrophobicContact CG2-CG 4.25Å; I417-I483 HydrophobicContact CD1-CD1 3.67Å; I417-I483 HydrophobicContact CD1-CG1 4.32Å; I417-I558 HydrophobicContact CD1-CG1 4.33Å
418	M	95.8	Very high	91.8	Very high	64 Å²	64	52.6 Å²	52.6	32%	0.315	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	176.8	-174.5	64.6	69.4	0	0	109.4	P415 Q420 I475 R476	P415-M418 HydrophobicContact CB-CB 4.44Å; P415-M418 HydrophobicContact CB-CE 3.68Å; P415-M418 HydrophobicContact CG-CE 4.16Å; M418-Q420 HydrophobicContact CG-CG 3.77Å; M418-I475 CarbonylContact O-C 3.59Å; M418-I475 WeakPolarHBondContact O-CA 3.08Å; M418-R476 HydrophobicContact CB-CB 4.36Å; M418-R476 PolarHBondContact N-O 3.38Å; M418-R476 PolarHBondContact O-N 3.4Å
419	V	95.7	Very high	91.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.6	178.7	179.5	0	0	0	0	107.5	I417 I422 Y437 E438 C439 I464 I475	I417-V419 HydrophobicContact CG2-CG2 4.43Å; V419-I422 HydrophobicContact CG1-CB 4.05Å; V419-I422 HydrophobicContact CG1-CD1 3.55Å; V419-I422 HydrophobicContact CG1-CG1 3.5Å; V419-I422 HydrophobicContact CG1-CG2 3.43Å; V419-I422 VanDerWaalsContact CG1-CG2 3.43Å; V419-Y437 HydrophobicContact CG1-CD1 4.47Å; V419-E438 WeakPolarHBondContact O-CA 3.44Å; V419-C439 WeakPolarHBondContact CB-O 3.23Å; V419-C439 PolarHBondContact N-O 3.41Å; V419-C439 PolarHBondContact O-N 2.85Å; V419-I464 HydrophobicContact CG2-CD1 3.63Å; V419-I475 HydrophobicContact CG1-CG1 4.43Å; V419-I475 HydrophobicContact CG2-CG1 4.37Å; V419-I475 HydrophobicContact CG2-CG2 4.37Å
420	Q	95.4	Very high	91.6	Very high	68 Å²	68	57.7 Å²	57.7	32%	0.318	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.5	-173.6	-51.7	-171.7	-80.7	0	0	110	M418 I422 G473 L474 R476	M418-Q420 HydrophobicContact CG-CG 3.77Å; Q420-I422 VanDerWaalsContact C-N 3.26Å; Q420-I422 PolarHBondContact O-N 3.09Å; Q420-I422 VanDerWaalsContact O-N 3.12Å; Q420-G473 WeakPolarHBondContact O-CA 3.42Å; Q420-L474 PolarHBondContact N-O 3.21Å; Q420-L474 PolarHBondContact O-N 2.92Å; Q420-R476 VanDerWaalsContact OE1-NH1 3.16Å
421	H	95	Very high	91.6	Very high	100 Å²	100	61.4 Å²	61.4	46%	0.463	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	42.3	44.5	176.6	-60.7	-65.9	0	0	0	115.1	S423 D436 Y437 E438 G473	H421-S423 PolarHBondContact O-N 3.33Å; H421-D436 WeakPolarHBondContact CA-OD1 3.09Å; H421-D436 VanDerWaalsContact CB-OD1 3.31Å; H421-D436 WeakPolarHBondContact CB-OD1 3.42Å; H421-D436 IonicContact CE1-OD1 3.27Å; H421-D436 IonicContact CG-OD1 3.92Å; H421-D436 IonicContact ND1-OD1 3.31Å; H421-D436 PolarHBondContact ND1-OD1 3.03Å; H421-Y437 PolarHBondContact N-O 2.73Å; H421-E438 IonicContact CD2-OE1 3.31Å; H421-E438 PolarHBondContact CD2-OE1 3.39Å; H421-E438 IonicContact CE1-OE1 3.43Å; H421-E438 PolarHBondContact CE1-OE1 3.46Å; H421-E438 IonicContact CE1-OE2 3.78Å; H421-E438 IonicContact CG-OE1 2.73Å; H421-E438 PolarHBondContact N-OE1 3.21Å; H421-E438 IonicContact ND1-OE1 3.04Å; H421-E438 PolarHBondContact ND1-OE1 2.77Å; H421-E438 IonicContact NE2-OE1 3.03Å; H421-E438 PolarHBondContact NE2-OE1 3.27Å; H421-E438 VanDerWaalsContact NE2-OE1 3.09Å; H421-E438 IonicContact NE2-OE2 3.83Å; H421-G473 WeakPolarHBondContact O-CA 3.15Å
422	I	94.5	Very high	91.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	133.5	-173.7	70.8	161.7	0	0	0	112	V419 Q420 D436 Y437 L463 P470 D472 I475	V419-I422 HydrophobicContact CG1-CB 4.05Å; V419-I422 HydrophobicContact CG1-CD1 3.55Å; V419-I422 HydrophobicContact CG1-CG1 3.5Å; V419-I422 HydrophobicContact CG1-CG2 3.43Å; V419-I422 VanDerWaalsContact CG1-CG2 3.43Å; Q420-I422 VanDerWaalsContact C-N 3.26Å; Q420-I422 PolarHBondContact O-N 3.09Å; Q420-I422 VanDerWaalsContact O-N 3.12Å; I422-D436 PolarHBondContact O-N 3.15Å; I422-D436 VanDerWaalsContact O-N 3.09Å; I422-Y437 HydrophobicContact CD1-CD1 4.33Å; I422-Y437 HydrophobicContact CG1-CD1 4.21Å; I422-Y437 WeakPolarHBondContact CG1-O 3.38Å; I422-Y437 PolarHBondContact N-O 3.03Å; I422-Y437 PolarHBondContact O-N 3.49Å; I422-L463 HydrophobicContact CD1-CD1 4.21Å; I422-P470 HydrophobicContact CB-CB 4.41Å; I422-P470 HydrophobicContact CG2-CB 4.41Å; I422-D472 CarbonylContact C-O 3.52Å; I422-D472 WeakPolarHBondContact CA-O 3.36Å; I422-I475 HydrophobicContact CG2-CD1 4.48Å; I422-I475 HydrophobicContact CG2-CG1 3.89Å
423	S	95	Very high	91.6	Very high	15 Å²	15	57.3 Å²	57.3	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137	166	-54.1	0	0	0	0	109.2	H421 W432 Y434 D436 T471 D472	H421-S423 PolarHBondContact O-N 3.33Å; S423-W432 VanDerWaalsContact CB-CZ3 3.47Å; S423-Y434 CarbonylContact C-O 3.52Å; S423-Y434 VanDerWaalsContact CA-O 3.28Å; S423-Y434 WeakPolarHBondContact CA-O 3.42Å; S423-D436 PolarHBondContact OG-N 3.16Å; S423-T471 WeakPolarHBondContact O-CA 3.24Å; S423-T471 WeakPolarHBondContact O-CB 3.33Å; S423-T471 PolarHBondContact O-N 3.38Å; S423-D472 PolarHBondContact N-O 3.24Å; S423-D472 PolarHBondContact O-N 2.91Å
424	F	95.3	Very high	91.8	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.044	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.6	-177	-178.4	-99	0	0	0	112.6	Y426 I433 Y434 T459 L463 L468 L469	F424-Y426 HydrophobicContact CE1-CD1 4.03Å; F424-Y426 HydrophobicContact CE1-CD2 4.12Å; F424-Y426 AromaticContact CE1-CE1 3.95Å; F424-Y426 HydrophobicContact CE1-CE1 3.95Å; F424-Y426 HydrophobicContact CE1-CE2 4.05Å; F424-Y426 HydrophobicContact CE1-CG 4.1Å; F424-Y426 AromaticContact CE1-CZ 3.94Å; F424-Y426 AromaticContact CZ-CD1 3.82Å; F424-Y426 HydrophobicContact CZ-CD1 3.82Å; F424-Y426 AromaticContact CZ-CE1 3.86Å; F424-Y426 HydrophobicContact CZ-CE1 3.86Å; F424-Y426 HydrophobicContact CZ-CG 4.23Å; F424-I433 HydrophobicContact CD1-CB 4.29Å; F424-I433 HydrophobicContact CD1-CD1 4.13Å; F424-I433 HydrophobicContact CE1-CD1 4.07Å; F424-I433 PolarHBondContact O-N 2.7Å; F424-Y434 HydrophobicContact CB-CD2 4.49Å; F424-Y434 PolarHBondContact N-O 2.77Å; F424-Y434 PolarHBondContact O-N 3.3Å; F424-T459 HydrophobicContact CD1-CG2 3.5Å; F424-T459 HydrophobicContact CE1-CG2 3.32Å; F424-T459 HydrophobicContact CZ-CG2 4.28Å; F424-L463 HydrophobicContact CB-CD1 3.98Å; F424-L463 HydrophobicContact CD1-CD1 4.31Å; F424-L463 HydrophobicContact CD2-CD2 3.84Å; F424-L463 HydrophobicContact CE2-CD2 4.25Å; F424-L463 HydrophobicContact CG-CD1 4Å; F424-L463 HydrophobicContact CG-CD2 4.16Å; F424-L468 HydrophobicContact CE1-CD1 4.3Å; F424-L468 HydrophobicContact CE2-CB 4.35Å; F424-L468 HydrophobicContact CZ-CB 4.46Å; F424-L468 HydrophobicContact CZ-CD1 3.88Å; F424-L468 HydrophobicContact CZ-CD2 4.5Å; F424-L469 WeakPolarHBondContact CD2-O 3.44Å; F424-L469 VanDerWaalsContact CE2-O 3.31Å; F424-L469 WeakPolarHBondContact CE2-O 3.44Å
425	R	93.7	Very high	92	Very high	73 Å²	73	55.9 Å²	55.9	28%	0.275	29%	0.291	S	S	.	.			trans	-147.7	148.2	167.8	63.3	-176.4	178.4	172.2	1.1	109.3	G427 P428 W432 T471	R425-G427 VanDerWaalsContact C-N 3.25Å; R425-G427 VanDerWaalsContact CD-O 3.25Å; R425-G427 WeakPolarHBondContact CD-O 3.44Å; R425-G427 WeakPolarHBondContact CG-O 3.38Å; R425-G427 PolarHBondContact O-N 2.68Å; R425-P428 VanDerWaalsContact CZ-O 3.29Å; R425-P428 PolarHBondContact NH1-O 3.14Å; R425-W432 HydrophobicContact CB-CD2 4.41Å; R425-W432 HydrophobicContact CB-CE3 4.1Å; R425-W432 HydrophobicContact CG-CE3 4.17Å; R425-W432 HydrophobicContact CG-CH2 4.47Å; R425-W432 HydrophobicContact CG-CZ3 4.13Å; R425-T471 HydrophobicContact CG-CG2 4.35Å; R425-T471 PolarHBondContact N-OG1 3.36Å; R425-T471 VanDerWaalsContact N-OG1 3.14Å; R425-T471 PolarHBondContact O-OG1 2.94Å
426	Y	88.9	Confident	92.2	Very high	126 Å²	126	57.2 Å²	57.2	49%	0.494	29%	0.294	S	S	.	.	S	Bend	trans	-69.7	-21.5	-177.7	-80.2	-70.7	0	0	0	113.9	F424 S430 I433 T459 L468	F424-Y426 HydrophobicContact CE1-CD1 4.03Å; F424-Y426 HydrophobicContact CE1-CD2 4.12Å; F424-Y426 AromaticContact CE1-CE1 3.95Å; F424-Y426 HydrophobicContact CE1-CE1 3.95Å; F424-Y426 HydrophobicContact CE1-CE2 4.05Å; F424-Y426 HydrophobicContact CE1-CG 4.1Å; F424-Y426 AromaticContact CE1-CZ 3.94Å; F424-Y426 AromaticContact CZ-CD1 3.82Å; F424-Y426 HydrophobicContact CZ-CD1 3.82Å; F424-Y426 AromaticContact CZ-CE1 3.86Å; F424-Y426 HydrophobicContact CZ-CE1 3.86Å; F424-Y426 HydrophobicContact CZ-CG 4.23Å; Y426-S430 PolarHBondContact N-OG 3.32Å; Y426-S430 VanDerWaalsContact N-OG 3.14Å; Y426-I433 HydrophobicContact CD2-CD1 3.42Å; Y426-I433 VanDerWaalsContact CD2-CD1 3.42Å; Y426-I433 HydrophobicContact CE2-CD1 3.24Å; Y426-T459 HydrophobicContact CE2-CG2 4.27Å; Y426-T459 WeakPolarHBondContact OH-CG2 3.46Å; Y426-T459 PolarHBondContact OH-OG1 3.29Å; Y426-L468 HydrophobicContact CE1-CD1 3.84Å; Y426-L468 HydrophobicContact CE1-CD2 4.41Å
427	G	88	Confident	92.2	Very high	23 Å²	23	57.9 Å²	57.9	24%	0.237	30%	0.296	C	S	.	.	S	Bend	trans	-163.6	169.9	177.5	0	0	0	0	0	112.6	R425 N429 S430	R425-G427 VanDerWaalsContact C-N 3.25Å; R425-G427 VanDerWaalsContact CD-O 3.25Å; R425-G427 WeakPolarHBondContact CD-O 3.44Å; R425-G427 WeakPolarHBondContact CG-O 3.38Å; R425-G427 PolarHBondContact O-N 2.68Å; G427-N429 VanDerWaalsContact C-N 3.25Å; G427-N429 PolarHBondContact O-N 3.25Å; G427-S430 PolarHBondContact N-OG 2.99Å; G427-S430 PolarHBondContact O-N 2.82Å; G427-S430 VanDerWaalsContact O-N 3.1Å; G427-S430 PolarHBondContact O-OG 3.25Å
428	P	85.2	Confident	92.1	Very high	98 Å²	98	62.4 Å²	62.4	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.3	-174.2	23.3	-33.3	0	0	0	113.7	R425	R425-P428 VanDerWaalsContact CZ-O 3.29Å; R425-P428 PolarHBondContact NH1-O 3.14Å
429	N	87.4	Confident	92	Very high	163 Å²	163	60.1 Å²	60.1	87%	0.872	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-3.2	178.9	-63.5	-12.2	0	0	0	113	G427	G427-N429 VanDerWaalsContact C-N 3.25Å; G427-N429 PolarHBondContact O-N 3.25Å
430	S	87.5	Confident	91.9	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	33%	0.325	C	S	.	.	S	Bend	trans	-78.2	148	176.5	70.8	0	0	0	0	110.3	Y426 G427	Y426-S430 PolarHBondContact N-OG 3.32Å; Y426-S430 VanDerWaalsContact N-OG 3.14Å; G427-S430 PolarHBondContact N-OG 2.99Å; G427-S430 PolarHBondContact O-N 2.82Å; G427-S430 VanDerWaalsContact O-N 3.1Å; G427-S430 PolarHBondContact O-OG 3.25Å
431	P	88.6	Confident	91.8	Very high	108 Å²	108	58.5 Å²	58.5	70%	0.701	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-59.1	148.2	173.9	26.5	-34.5	0	0	0	110.2
432	W	90.6	Very high	91.8	Very high	76 Å²	76	56 Å²	56	29%	0.288	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.9	139.3	170.8	-69.1	94.2	0	0	0	109.8	S423 R425 K435 T471 N610	S423-W432 VanDerWaalsContact CB-CZ3 3.47Å; R425-W432 HydrophobicContact CB-CD2 4.41Å; R425-W432 HydrophobicContact CB-CE3 4.1Å; R425-W432 HydrophobicContact CG-CE3 4.17Å; R425-W432 HydrophobicContact CG-CH2 4.47Å; R425-W432 HydrophobicContact CG-CZ3 4.13Å; W432-K435 HydrophobicContact CB-CD 4.27Å; W432-K435 VanDerWaalsContact CB-CE 3.47Å; W432-K435 HydrophobicContact CB-CG 3.82Å; W432-K435 HydrophobicContact CD2-CG 4.17Å; W432-K435 HydrophobicContact CE3-CG 4.44Å; W432-K435 HydrophobicContact CG-CD 4.21Å; W432-K435 HydrophobicContact CG-CG 3.93Å; W432-T471 HydrophobicContact CH2-CG2 4.15Å; W432-T471 HydrophobicContact CZ3-CG2 4.25Å; W432-N610 PolarHBondContact O-ND2 3.32Å
433	I	91.3	Very high	91.7	Very high	26 Å²	26	57 Å²	57	13%	0.133	31%	0.305	C	S	.	.	S	Bend	trans	-98.1	-41.7	170.5	-62.1	179.4	0	0	0	109.2	F424 Y426 T459 N610	F424-I433 HydrophobicContact CD1-CB 4.29Å; F424-I433 HydrophobicContact CD1-CD1 4.13Å; F424-I433 HydrophobicContact CE1-CD1 4.07Å; F424-I433 PolarHBondContact O-N 2.7Å; Y426-I433 HydrophobicContact CD2-CD1 3.42Å; Y426-I433 VanDerWaalsContact CD2-CD1 3.42Å; Y426-I433 HydrophobicContact CE2-CD1 3.24Å; I433-T459 HydrophobicContact CD1-CG2 4.07Å; I433-T459 HydrophobicContact CG2-CG2 4.44Å; I433-N610 CarbonylContact O-C 3.54Å; I433-N610 WeakPolarHBondContact O-CA 3.4Å
434	Y	94.2	Very high	91.6	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.9	173.6	-61.7	-61.4	0	0	0	110.2	S423 F424 G456 F460 L463 C607 N610 I612	S423-Y434 CarbonylContact C-O 3.52Å; S423-Y434 VanDerWaalsContact CA-O 3.28Å; S423-Y434 WeakPolarHBondContact CA-O 3.42Å; F424-Y434 HydrophobicContact CB-CD2 4.49Å; F424-Y434 PolarHBondContact N-O 2.77Å; F424-Y434 PolarHBondContact O-N 3.3Å; Y434-G456 WeakPolarHBondContact OH-CA 3.2Å; Y434-G456 PolarHBondContact OH-O 3.31Å; Y434-F460 HydrophobicContact CE2-CB 3.95Å; Y434-F460 WeakPolarHBondContact OH-CB 3.47Å; Y434-L463 HydrophobicContact CD2-CD1 3.98Å; Y434-L463 HydrophobicContact CE2-CD1 4.24Å; Y434-C607 PolarHBondContact OH-SG 3.07Å; Y434-N610 CarbonylContact C-O 3.59Å; Y434-N610 VanDerWaalsContact CA-O 3.3Å; Y434-N610 WeakPolarHBondContact CA-O 3.34Å; Y434-I612 HydrophobicContact CD1-CG1 4.31Å; Y434-I612 HydrophobicContact CE1-CD1 3.9Å; Y434-I612 HydrophobicContact CE1-CG1 3.61Å
435	K	92.7	Very high	91.6	Very high	112 Å²	112	62 Å²	62	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.7	170.5	-66.9	-173.5	-177.7	-177.7	0	109.5	W432 Y437 N610	W432-K435 HydrophobicContact CB-CD 4.27Å; W432-K435 VanDerWaalsContact CB-CE 3.47Å; W432-K435 HydrophobicContact CB-CG 3.82Å; W432-K435 HydrophobicContact CD2-CG 4.17Å; W432-K435 HydrophobicContact CE3-CG 4.44Å; W432-K435 HydrophobicContact CG-CD 4.21Å; W432-K435 HydrophobicContact CG-CG 3.93Å; K435-Y437 PolarHBondContact O-N 3.04Å; K435-N610 HydrophobicContact CG-CB 4.5Å; K435-N610 PolarHBondContact N-O 3.38Å
436	D	92.2	Very high	91.7	Very high	103 Å²	103	59.7 Å²	59.7	55%	0.551	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	45.8	54	172.7	-167.2	25.5	0	0	0	113.7	H421 I422 S423	H421-D436 WeakPolarHBondContact CA-OD1 3.09Å; H421-D436 VanDerWaalsContact CB-OD1 3.31Å; H421-D436 WeakPolarHBondContact CB-OD1 3.42Å; H421-D436 IonicContact CE1-OD1 3.27Å; H421-D436 IonicContact CG-OD1 3.92Å; H421-D436 IonicContact ND1-OD1 3.31Å; H421-D436 PolarHBondContact ND1-OD1 3.03Å; I422-D436 PolarHBondContact O-N 3.15Å; I422-D436 VanDerWaalsContact O-N 3.09Å; S423-D436 PolarHBondContact OG-N 3.16Å
437	Y	93	Very high	92	Very high	15 Å²	15	53.8 Å²	53.8	6%	0.059	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.4	-177.1	179	-113.6	0	0	0	112.4	V419 H421 I422 K435 C439 F460 W605 I612	V419-Y437 HydrophobicContact CG1-CD1 4.47Å; H421-Y437 PolarHBondContact N-O 2.73Å; I422-Y437 HydrophobicContact CD1-CD1 4.33Å; I422-Y437 HydrophobicContact CG1-CD1 4.21Å; I422-Y437 WeakPolarHBondContact CG1-O 3.38Å; I422-Y437 PolarHBondContact N-O 3.03Å; I422-Y437 PolarHBondContact O-N 3.49Å; K435-Y437 PolarHBondContact O-N 3.04Å; Y437-C439 HydrophobicContact CE1-CB 4.03Å; Y437-C439 VanDerWaalsContact CE1-SG 3.6Å; Y437-C439 WeakPolarHBondContact OH-CB 3.3Å; Y437-F460 HydrophobicContact CD1-CE2 4.21Å; Y437-F460 HydrophobicContact CE1-CD2 4.49Å; Y437-F460 AromaticContact CE1-CE2 3.69Å; Y437-F460 HydrophobicContact CE1-CE2 3.69Å; Y437-F460 HydrophobicContact CE1-CZ 4.1Å; Y437-W605 WeakPolarHBondContact OH-CZ3 3.42Å; Y437-I612 HydrophobicContact CD1-CD1 4.48Å; Y437-I612 HydrophobicContact CD2-CB 4.32Å; Y437-I612 HydrophobicContact CE1-CB 4.18Å; Y437-I612 HydrophobicContact CE1-CD1 3.92Å; Y437-I612 HydrophobicContact CE1-CG1 4.3Å; Y437-I612 HydrophobicContact CE2-CB 3.7Å; Y437-I612 WeakPolarHBondContact CE2-O 3.29Å
438	E	93.3	Very high	92.4	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.4	-179.2	-50.4	-147.3	106.8	0	0	111.7	V419 H421	V419-E438 WeakPolarHBondContact O-CA 3.44Å; H421-E438 IonicContact CD2-OE1 3.31Å; H421-E438 PolarHBondContact CD2-OE1 3.39Å; H421-E438 IonicContact CE1-OE1 3.43Å; H421-E438 PolarHBondContact CE1-OE1 3.46Å; H421-E438 IonicContact CE1-OE2 3.78Å; H421-E438 IonicContact CG-OE1 2.73Å; H421-E438 PolarHBondContact N-OE1 3.21Å; H421-E438 IonicContact ND1-OE1 3.04Å; H421-E438 PolarHBondContact ND1-OE1 2.77Å; H421-E438 IonicContact NE2-OE1 3.03Å; H421-E438 PolarHBondContact NE2-OE1 3.27Å; H421-E438 VanDerWaalsContact NE2-OE1 3.09Å; H421-E438 IonicContact NE2-OE2 3.83Å
439	C	94.4	Very high	92.8	Very high	16 Å²	16	48.1 Å²	48.1	11%	0.108	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	160.4	170.3	67.2	0	0	0	0	113	V419 Y437 W605	V419-C439 WeakPolarHBondContact CB-O 3.23Å; V419-C439 PolarHBondContact N-O 3.41Å; V419-C439 PolarHBondContact O-N 2.85Å; Y437-C439 HydrophobicContact CE1-CB 4.03Å; Y437-C439 VanDerWaalsContact CE1-SG 3.6Å; Y437-C439 WeakPolarHBondContact OH-CB 3.3Å; C439-W605 HydrophobicContact CB-CH2 3.63Å; C439-W605 HydrophobicContact CB-CZ3 4Å
440	G	93	Very high	93.1	Very high	35 Å²	35	40.4 Å²	40.4	36%	0.361	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.9	169.2	0	0	0	0	0	111.1	I417	I417-G440 WeakPolarHBondContact O-CA 3.38Å
441	I	95.1	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.2	173.3	-55.1	166.5	0	0	0	107.7	V416 I417 T445 I464 I558 L588	V416-I441 WeakPolarHBondContact CB-O 3.16Å; I417-I441 HydrophobicContact CB-CB 4.2Å; I417-I441 PolarHBondContact N-O 2.8Å; I417-I441 PolarHBondContact O-N 3.16Å; I441-T445 HydrophobicContact CG2-CG2 4.12Å; I441-I464 HydrophobicContact CD1-CD1 3.68Å; I441-I464 HydrophobicContact CD1-CG1 3.96Å; I441-I464 HydrophobicContact CD1-CG2 3.96Å; I441-I558 HydrophobicContact CG2-CD1 4.03Å; I441-I558 HydrophobicContact CG2-CG2 4.46Å; I441-L588 HydrophobicContact CD1-CD1 3.8Å
442	D	94.3	Very high	92.9	Very high	46 Å²	46	36.1 Å²	36.1	25%	0.246	19%	0.193	C	C	.	.			trans	-124.8	178.6	179.5	-67.9	-42.2	0	0	0	111	P414 P415 V416 T444 T445 G586	P414-D442 WeakPolarHBondContact CB-OD1 3.4Å; P415-D442 WeakPolarHBondContact CA-OD1 3.25Å; V416-D442 HydrophobicContact CG2-CB 4.43Å; V416-D442 PolarHBondContact N-OD1 2.91Å; D442-T444 PolarHBondContact O-N 3.28Å; D442-T445 PolarHBondContact N-OG1 3.25Å; D442-T445 VanDerWaalsContact O-CB 3.23Å; D442-T445 WeakPolarHBondContact O-CB 3.48Å; D442-T445 PolarHBondContact O-N 3.19Å; D442-T445 VanDerWaalsContact O-N 3.16Å; D442-T445 PolarHBondContact O-OG1 3.06Å; D442-G586 WeakPolarHBondContact O-CA 3.42Å
443	L	93	Very high	92.5	Very high	22 Å²	22	35.5 Å²	35.5	12%	0.115	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.8	179.8	-58.4	-176.9	0	0	0	113.1	Y411 I412 V416 T445 R446 H557 I558 G585 G586	Y411-L443 HydrophobicContact CD2-CD1 4.48Å; I412-L443 HydrophobicContact CB-CD1 4.24Å; V416-L443 HydrophobicContact CG2-CD2 4.25Å; V416-L443 HydrophobicContact CG2-CG 4.07Å; L443-T445 VanDerWaalsContact C-N 3.33Å; L443-R446 PolarHBondContact O-NH1 3.41Å; L443-H557 HydrophobicContact CD2-CB 3.91Å; L443-H557 WeakPolarHBondContact CD2-O 3.36Å; L443-I558 HydrophobicContact CD2-CD1 4.22Å; L443-G585 CarbonylContact O-C 3.36Å; L443-G585 VanDerWaalsContact O-O 3.09Å; L443-G586 VanDerWaalsContact O-CA 3.25Å; L443-G586 WeakPolarHBondContact O-CA 3.46Å; L443-G586 PolarHBondContact O-N 3.41Å
444	T	92.2	Very high	92	Very high	107 Å²	107	38.1 Å²	38.1	66%	0.656	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-8	177.8	55.3	0	0	0	0	113.4	D442 R446	D442-T444 PolarHBondContact O-N 3.28Å; T444-R446 PolarHBondContact O-N 3.42Å
445	T	94.6	Very high	91.6	Very high	22 Å²	22	39 Å²	39	14%	0.135	24%	0.237	C	C	.	.			trans	-66.4	128.9	-177	-61.3	0	0	0	0	110.5	I441 D442 L443 I447 G586 M587	I441-T445 HydrophobicContact CG2-CG2 4.12Å; D442-T445 PolarHBondContact N-OG1 3.25Å; D442-T445 VanDerWaalsContact O-CB 3.23Å; D442-T445 WeakPolarHBondContact O-CB 3.48Å; D442-T445 PolarHBondContact O-N 3.19Å; D442-T445 VanDerWaalsContact O-N 3.16Å; D442-T445 PolarHBondContact O-OG1 3.06Å; L443-T445 VanDerWaalsContact C-N 3.33Å; T445-I447 HydrophobicContact CG2-CD1 3.14Å; T445-I447 HydrophobicContact CG2-CG1 3.59Å; T445-G586 CarbonylContact O-C 3.49Å; T445-G586 WeakPolarHBondContact O-CA 3.19Å; T445-M587 PolarHBondContact O-N 2.95Å
446	R	96	Very high	91.4	Very high	25 Å²	25	34 Å²	34	9%	0.094	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	87.2	177.5	-65.6	-69.3	178	-72.6	-0.5	108.4	L443 T444 F583 G585 M587 K602 E603	L443-R446 PolarHBondContact O-NH1 3.41Å; T444-R446 PolarHBondContact O-N 3.42Å; R446-F583 PolarHBondContact NH2-O 2.96Å; R446-G585 PolarHBondContact NH1-O 3.41Å; R446-G585 PolarHBondContact NH2-O 2.87Å; R446-M587 HydrophobicContact CB-CE 4.42Å; R446-K602 HydrophobicContact CB-CB 4.03Å; R446-K602 HydrophobicContact CB-CD 4.09Å; R446-K602 HydrophobicContact CB-CG 3.85Å; R446-K602 HydrophobicContact CG-CD 4.13Å; R446-K602 HydrophobicContact CG-CG 4.3Å; R446-K602 PolarHBondContact O-N 2.68Å; R446-E603 PolarHBondContact O-N 2.91Å
447	I	96	Very high	91.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.5	-173.1	-63.7	158.6	0	0	0	109.9	T445 L449 M587 L588 L589 E603 W605	T445-I447 HydrophobicContact CG2-CD1 3.14Å; T445-I447 HydrophobicContact CG2-CG1 3.59Å; I447-L449 HydrophobicContact CG2-CG 4.4Å; I447-M587 PolarHBondContact N-O 3.3Å; I447-L588 HydrophobicContact CB-CD2 3.68Å; I447-L588 HydrophobicContact CD1-CD2 3.74Å; I447-L588 HydrophobicContact CG1-CD2 4.27Å; I447-L588 HydrophobicContact CG2-CD2 4.24Å; I447-L588 WeakPolarHBondContact O-CA 3.37Å; I447-L589 PolarHBondContact O-N 2.91Å; I447-E603 CarbonylContact C-O 3.56Å; I447-E603 WeakPolarHBondContact CA-O 3.28Å; I447-E603 HydrophobicContact CG1-CB 4.18Å; I447-W605 HydrophobicContact CD1-CD2 3.83Å; I447-W605 HydrophobicContact CD1-CE3 3.98Å; I447-W605 HydrophobicContact CD1-CH2 3.35Å; I447-W605 HydrophobicContact CD1-CZ2 3.18Å; I447-W605 HydrophobicContact CD1-CZ3 3.76Å; I447-W605 HydrophobicContact CG1-CD2 4.26Å; I447-W605 HydrophobicContact CG1-CZ2 4.1Å; I447-W605 HydrophobicContact CG2-CB 3.71Å; I447-W605 HydrophobicContact CG2-CD2 3.55Å; I447-W605 HydrophobicContact CG2-CE3 3.99Å; I447-W605 HydrophobicContact CG2-CG 3.41Å; I447-W605 VanDerWaalsContact CG2-CG 3.41Å
448	A	95.9	Very high	91.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.4	161	0	0	0	0	0	111	L589 V597 A601 E603 I604 W605	A448-L589 CarbonylContact C-O 3.52Å; A448-L589 WeakPolarHBondContact CA-O 3.38Å; A448-V597 HydrophobicContact CB-CB 4.37Å; A448-V597 HydrophobicContact CB-CG1 3.46Å; A448-V597 VanDerWaalsContact CB-CG1 3.46Å; A448-V597 HydrophobicContact CB-CG2 4.13Å; A448-A601 HydrophobicContact CB-CB 3.56Å; A448-E603 PolarHBondContact N-O 2.95Å; A448-I604 CarbonylContact O-C 3.57Å; A448-I604 WeakPolarHBondContact O-CA 3.43Å; A448-W605 PolarHBondContact O-N 3.01Å
449	L	94.6	Very high	91.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.9	175	-76.4	162.7	0	0	0	109.5	I447 F460 L461 L588 L589 V590 W605 I612	I447-L449 HydrophobicContact CG2-CG 4.4Å; L449-F460 HydrophobicContact CD1-CD1 3.62Å; L449-F460 HydrophobicContact CD1-CE1 4.04Å; L449-F460 HydrophobicContact CD2-CD1 4.31Å; L449-F460 HydrophobicContact CD2-CE1 4.47Å; L449-L461 HydrophobicContact CD1-CD2 4.03Å; L449-L588 HydrophobicContact CD1-CD1 4.46Å; L449-L589 PolarHBondContact N-O 3.48Å; L449-V590 HydrophobicContact CB-CG2 3.78Å; L449-V590 HydrophobicContact CD1-CG2 4.22Å; L449-W605 WeakPolarHBondContact CA-O 3.39Å; L449-W605 HydrophobicContact CD2-CB 3.8Å; L449-W605 HydrophobicContact CD2-CE3 4.19Å; L449-I612 HydrophobicContact CD2-CD1 4.17Å; L449-I612 HydrophobicContact CD2-CG2 4.05Å
450	V	92.3	Very high	91.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.7	-179.6	-60.1	0	0	0	0	110.3	L282 I604 W605 L606 C607 I619 Y622	L282-V450 HydrophobicContact CD1-CB 3.64Å; L282-V450 HydrophobicContact CD1-CG1 3.53Å; V450-I604 HydrophobicContact CB-CG2 4.47Å; V450-I604 HydrophobicContact CG1-CG2 4.12Å; V450-I604 HydrophobicContact CG2-CG2 3.5Å; V450-I604 VanDerWaalsContact CG2-CG2 3.5Å; V450-W605 PolarHBondContact N-O 3.38Å; V450-L606 HydrophobicContact CG2-CB 4.5Å; V450-L606 HydrophobicContact CG2-CD1 4.19Å; V450-L606 CarbonylContact O-C 3.58Å; V450-L606 WeakPolarHBondContact O-CA 3.43Å; V450-C607 PolarHBondContact O-N 2.97Å; V450-I619 HydrophobicContact CG1-CD1 3.95Å; V450-Y622 HydrophobicContact CB-CE1 4.28Å; V450-Y622 HydrophobicContact CG2-CD1 4.46Å; V450-Y622 HydrophobicContact CG2-CE1 4.07Å
451	G	88.4	Confident	91.3	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	17%	0.166	C	C	.	.			trans	154	170.9	179.2	0	0	0	0	0	112.1	K457	G451-K457 PolarHBondContact O-NZ 3.4Å
452	P	83.3	Confident	91.2	Very high	49 Å²	49	28.4 Å²	28.4	32%	0.318	18%	0.18	S	C	.	.			trans	-65.3	163.4	-179.1	24.1	-28.7	0	0	0	112.2	A455 K457	P452-A455 HydrophobicContact CG-CB 4.02Å; P452-A455 VanDerWaalsContact O-CB 3.23Å; P452-A455 WeakPolarHBondContact O-CB 3.5Å; P452-A455 PolarHBondContact O-N 3.27Å; P452-K457 PolarHBondContact O-NZ 2.93Å
453	N	82.8	Confident	91.2	Very high	63 Å²	63	26.2 Å²	26.2	34%	0.337	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	138.5	173.2	-81	-5.3	0	0	0	111.8	R257 D281 A455	R257-N453 PolarHBondContact NH2-ND2 2.93Å; D281-N453 PolarHBondContact OD2-N 3.39Å; N453-A455 VanDerWaalsContact C-N 3.28Å; N453-A455 PolarHBondContact O-N 3.05Å
454	G	80.1	Confident	91.3	Very high	81 Å²	81	25.1 Å²	25.1	84%	0.835	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-2.6	-174	0	0	0	0	0	115.3	G456	G454-G456 PolarHBondContact O-N 3.02Å; G454-G456 VanDerWaalsContact O-N 3.09Å
455	A	86	Confident	91.3	Very high	20 Å²	20	21.5 Å²	21.5	17%	0.165	14%	0.142	C	C	.	.	S	Bend	trans	-65.8	-12.1	-179.9	0	0	0	0	0	115	P452 N453 C607	P452-A455 HydrophobicContact CG-CB 4.02Å; P452-A455 VanDerWaalsContact O-CB 3.23Å; P452-A455 WeakPolarHBondContact O-CB 3.5Å; P452-A455 PolarHBondContact O-N 3.27Å; N453-A455 VanDerWaalsContact C-N 3.28Å; N453-A455 PolarHBondContact O-N 3.05Å; A455-C607 HydrophobicContact CB-CB 4.48Å; A455-C607 VanDerWaalsContact CB-O 3.26Å; A455-C607 WeakPolarHBondContact CB-O 3.25Å; A455-C607 PolarHBondContact O-SG 2.81Å
456	G	88.8	Confident	91.1	Very high	5 Å²	5	22 Å²	22	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	109.3	1.6	179.5	0	0	0	0	0	115.5	Y434 G454 T458 T459 F460	Y434-G456 WeakPolarHBondContact OH-CA 3.2Å; Y434-G456 PolarHBondContact OH-O 3.31Å; G454-G456 PolarHBondContact O-N 3.02Å; G454-G456 VanDerWaalsContact O-N 3.09Å; G456-T458 PolarHBondContact O-N 2.97Å; G456-T459 CarbonylContact O-C 3.59Å; G456-T459 VanDerWaalsContact O-CA 3.27Å; G456-T459 WeakPolarHBondContact O-CA 2.99Å; G456-T459 WeakPolarHBondContact O-CB 3.47Å; G456-T459 PolarHBondContact O-N 2.94Å; G456-F460 PolarHBondContact O-N 3.45Å
457	K	92	Very high	90.8	Very high	14 Å²	14	26.1 Å²	26.1	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-46.7	-57.2	-177.3	-55.2	-174.4	-64	-91.1	0	113.5	G451 P452 T459 F460 L461 V590 C607	G451-K457 PolarHBondContact O-NZ 3.4Å; P452-K457 PolarHBondContact O-NZ 2.93Å; K457-T459 VanDerWaalsContact C-N 3.29Å; K457-T459 PolarHBondContact O-N 3.13Å; K457-F460 WeakPolarHBondContact O-CB 3.48Å; K457-F460 PolarHBondContact O-N 2.94Å; K457-L461 PolarHBondContact O-N 3.43Å; K457-L461 VanDerWaalsContact O-N 3.12Å; K457-V590 HydrophobicContact CB-CG1 4.34Å; K457-V590 HydrophobicContact CB-CG2 4.14Å; K457-V590 HydrophobicContact CD-CG1 4.04Å; K457-C607 HydrophobicContact CG-CB 4.01Å
458	T	90.1	Very high	90.7	Very high	53 Å²	53	27.9 Å²	27.9	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-65	-32.3	176.2	-53.2	0	0	0	0	112.5	G456 L461 K462 D562	G456-T458 PolarHBondContact O-N 2.97Å; T458-L461 PolarHBondContact O-N 3.12Å; T458-K462 WeakPolarHBondContact O-CG 3.44Å; T458-K462 PolarHBondContact O-N 3.24Å; T458-D562 WeakPolarHBondContact CG2-OD2 3.39Å; T458-D562 PolarHBondContact OG1-OD2 3.31Å
459	T	92	Very high	90.6	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-41.9	174.3	-52.6	0	0	0	0	111	F424 Y426 I433 G456 K457 K462 L463 L468	F424-T459 HydrophobicContact CD1-CG2 3.5Å; F424-T459 HydrophobicContact CE1-CG2 3.32Å; F424-T459 HydrophobicContact CZ-CG2 4.28Å; Y426-T459 HydrophobicContact CE2-CG2 4.27Å; Y426-T459 WeakPolarHBondContact OH-CG2 3.46Å; Y426-T459 PolarHBondContact OH-OG1 3.29Å; I433-T459 HydrophobicContact CD1-CG2 4.07Å; I433-T459 HydrophobicContact CG2-CG2 4.44Å; G456-T459 CarbonylContact O-C 3.59Å; G456-T459 VanDerWaalsContact O-CA 3.27Å; G456-T459 WeakPolarHBondContact O-CA 2.99Å; G456-T459 WeakPolarHBondContact O-CB 3.47Å; G456-T459 PolarHBondContact O-N 2.94Å; K457-T459 VanDerWaalsContact C-N 3.29Å; K457-T459 PolarHBondContact O-N 3.13Å; T459-K462 WeakPolarHBondContact O-CB 3.29Å; T459-K462 PolarHBondContact O-N 3.11Å; T459-L463 HydrophobicContact CG2-CD1 4.31Å; T459-L463 WeakPolarHBondContact O-CG 3.33Å; T459-L463 PolarHBondContact O-N 2.86Å; T459-L468 HydrophobicContact CG2-CD1 4.05Å
460	F	94.7	Very high	90.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-45.3	174	-177.9	-110.8	0	0	0	111.3	Y434 Y437 L449 G456 K457 K462 L463 I464 L588 W605 I612	Y434-F460 HydrophobicContact CE2-CB 3.95Å; Y434-F460 WeakPolarHBondContact OH-CB 3.47Å; Y437-F460 HydrophobicContact CD1-CE2 4.21Å; Y437-F460 HydrophobicContact CE1-CD2 4.49Å; Y437-F460 AromaticContact CE1-CE2 3.69Å; Y437-F460 HydrophobicContact CE1-CE2 3.69Å; Y437-F460 HydrophobicContact CE1-CZ 4.1Å; L449-F460 HydrophobicContact CD1-CD1 3.62Å; L449-F460 HydrophobicContact CD1-CE1 4.04Å; L449-F460 HydrophobicContact CD2-CD1 4.31Å; L449-F460 HydrophobicContact CD2-CE1 4.47Å; G456-F460 PolarHBondContact O-N 3.45Å; K457-F460 WeakPolarHBondContact O-CB 3.48Å; K457-F460 PolarHBondContact O-N 2.94Å; F460-K462 VanDerWaalsContact C-N 3.27Å; F460-K462 PolarHBondContact O-N 3.23Å; F460-L463 WeakPolarHBondContact O-CB 3.45Å; F460-L463 PolarHBondContact O-N 3.11Å; F460-L463 VanDerWaalsContact O-N 3.09Å; F460-I464 HydrophobicContact CD1-CG1 4.2Å; F460-I464 HydrophobicContact CD2-CG1 4.36Å; F460-I464 HydrophobicContact CE1-CD1 4.37Å; F460-I464 HydrophobicContact CE1-CG1 3.87Å; F460-I464 HydrophobicContact CE2-CD1 3.86Å; F460-I464 HydrophobicContact CE2-CG1 4.01Å; F460-I464 HydrophobicContact CG-CG1 4.45Å; F460-I464 HydrophobicContact CZ-CD1 3.76Å; F460-I464 HydrophobicContact CZ-CG1 3.76Å; F460-I464 WeakPolarHBondContact O-CG1 3.4Å; F460-I464 PolarHBondContact O-N 3.08Å; F460-L588 HydrophobicContact CD1-CD1 4.45Å; F460-L588 HydrophobicContact CE1-CD1 3.88Å; F460-W605 HydrophobicContact CE1-CZ3 4.49Å; F460-W605 HydrophobicContact CZ-CZ3 4.31Å; F460-I612 HydrophobicContact CB-CD1 4.2Å; F460-I612 HydrophobicContact CD1-CD1 3.94Å; F460-I612 HydrophobicContact CD2-CD1 3.66Å; F460-I612 HydrophobicContact CE1-CD1 4.18Å; F460-I612 HydrophobicContact CE2-CD1 3.94Å; F460-I612 HydrophobicContact CG-CD1 3.66Å; F460-I612 HydrophobicContact CZ-CD1 4.18Å
461	L	94.6	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-39.9	174.5	-62.1	-177.4	0	0	0	112.3	L449 K457 T458 I464 S465 L560 D562 L588 V590	L449-L461 HydrophobicContact CD1-CD2 4.03Å; K457-L461 PolarHBondContact O-N 3.43Å; K457-L461 VanDerWaalsContact O-N 3.12Å; T458-L461 PolarHBondContact O-N 3.12Å; L461-I464 PolarHBondContact O-N 3.31Å; L461-S465 WeakPolarHBondContact O-CB 3.47Å; L461-S465 PolarHBondContact O-N 3.4Å; L461-S465 PolarHBondContact O-OG 3.03Å; L461-L560 HydrophobicContact CB-CD1 4.48Å; L461-L560 HydrophobicContact CD2-CB 4.23Å; L461-L560 HydrophobicContact CD2-CD2 4.11Å; L461-D562 HydrophobicContact CD1-CB 3.73Å; L461-L588 HydrophobicContact CD2-CB 4.01Å; L461-L588 HydrophobicContact CD2-CD1 4.04Å; L461-V590 HydrophobicContact CD1-CG2 3.85Å; L461-V590 HydrophobicContact CG-CG2 4.38Å
462	K	93.6	Very high	90.9	Very high	67 Å²	67	44.6 Å²	44.6	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-37.7	174.9	-74.5	178.4	174.9	-176.4	0	113.2	T458 T459 F460 S465 G466 E467 L468 R485	T458-K462 WeakPolarHBondContact O-CG 3.44Å; T458-K462 PolarHBondContact O-N 3.24Å; T459-K462 WeakPolarHBondContact O-CB 3.29Å; T459-K462 PolarHBondContact O-N 3.11Å; F460-K462 VanDerWaalsContact C-N 3.27Å; F460-K462 PolarHBondContact O-N 3.23Å; K462-S465 WeakPolarHBondContact CA-OG 3.42Å; K462-S465 PolarHBondContact O-OG 2.79Å; K462-G466 PolarHBondContact O-N 3.18Å; K462-E467 HydrophobicContact CB-CB 4.29Å; K462-E467 HydrophobicContact CG-CB 4.48Å; K462-E467 PolarHBondContact O-N 2.79Å; K462-L468 HydrophobicContact CB-CB 4.35Å; K462-L468 HydrophobicContact CB-CD1 3.64Å; K462-L468 HydrophobicContact CB-CG 3.86Å; K462-L468 HydrophobicContact CD-CD1 3.85Å; K462-L468 HydrophobicContact CD-CG 4.34Å; K462-L468 HydrophobicContact CG-CD1 4.37Å; K462-L468 PolarHBondContact O-N 3.43Å; K462-R485 VanDerWaalsContact CG-NH1 3.31Å
463	L	94.3	Very high	91.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-41.7	174.2	-73.2	166.8	0	0	0	110.6	I422 F424 Y434 T459 F460 G466 L468 I475 R477	I422-L463 HydrophobicContact CD1-CD1 4.21Å; F424-L463 HydrophobicContact CB-CD1 3.98Å; F424-L463 HydrophobicContact CD1-CD1 4.31Å; F424-L463 HydrophobicContact CD2-CD2 3.84Å; F424-L463 HydrophobicContact CE2-CD2 4.25Å; F424-L463 HydrophobicContact CG-CD1 4Å; F424-L463 HydrophobicContact CG-CD2 4.16Å; Y434-L463 HydrophobicContact CD2-CD1 3.98Å; Y434-L463 HydrophobicContact CE2-CD1 4.24Å; T459-L463 HydrophobicContact CG2-CD1 4.31Å; T459-L463 WeakPolarHBondContact O-CG 3.33Å; T459-L463 PolarHBondContact O-N 2.86Å; F460-L463 WeakPolarHBondContact O-CB 3.45Å; F460-L463 PolarHBondContact O-N 3.11Å; F460-L463 VanDerWaalsContact O-N 3.09Å; L463-G466 PolarHBondContact O-N 3.33Å; L463-L468 HydrophobicContact CD2-CB 3.84Å; L463-L468 HydrophobicContact CG-CB 4.28Å; L463-I475 HydrophobicContact CB-CD1 4.02Å; L463-I475 WeakPolarHBondContact O-CD1 3.43Å; L463-R477 PolarHBondContact O-NH2 3.04Å
464	I	94.1	Very high	91.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-43.5	176.3	-63.9	-53.3	0	0	0	111.4	I417 V419 I441 F460 L461 G466 R477 I483 L560 L588	I417-I464 HydrophobicContact CD1-CG2 3.78Å; I417-I464 HydrophobicContact CG2-CD1 4.42Å; V419-I464 HydrophobicContact CG2-CD1 3.63Å; I441-I464 HydrophobicContact CD1-CD1 3.68Å; I441-I464 HydrophobicContact CD1-CG1 3.96Å; I441-I464 HydrophobicContact CD1-CG2 3.96Å; F460-I464 HydrophobicContact CD1-CG1 4.2Å; F460-I464 HydrophobicContact CD2-CG1 4.36Å; F460-I464 HydrophobicContact CE1-CD1 4.37Å; F460-I464 HydrophobicContact CE1-CG1 3.87Å; F460-I464 HydrophobicContact CE2-CD1 3.86Å; F460-I464 HydrophobicContact CE2-CG1 4.01Å; F460-I464 HydrophobicContact CG-CG1 4.45Å; F460-I464 HydrophobicContact CZ-CD1 3.76Å; F460-I464 HydrophobicContact CZ-CG1 3.76Å; F460-I464 WeakPolarHBondContact O-CG1 3.4Å; F460-I464 PolarHBondContact O-N 3.08Å; L461-I464 PolarHBondContact O-N 3.31Å; I464-G466 VanDerWaalsContact C-N 3.27Å; I464-G466 PolarHBondContact O-N 3.09Å; I464-R477 VanDerWaalsContact O-CZ 3.3Å; I464-R477 PolarHBondContact O-NE 2.65Å; I464-R477 PolarHBondContact O-NH2 2.66Å; I464-I483 WeakPolarHBondContact O-CD1 3.42Å; I464-L560 HydrophobicContact CB-CD1 4.42Å; I464-L560 HydrophobicContact CG2-CD1 4.18Å; I464-L560 HydrophobicContact CG2-CD2 4.19Å; I464-L588 HydrophobicContact CG1-CD1 4.37Å
465	S	92.3	Very high	92.6	Very high	31 Å²	31	41.6 Å²	41.6	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-23.8	177.5	70.4	0	0	0	0	113.6	L461 K462 E467	L461-S465 WeakPolarHBondContact O-CB 3.47Å; L461-S465 PolarHBondContact O-N 3.4Å; L461-S465 PolarHBondContact O-OG 3.03Å; K462-S465 WeakPolarHBondContact CA-OG 3.42Å; K462-S465 PolarHBondContact O-OG 2.79Å; S465-E467 WeakPolarHBondContact OG-CG 3.36Å; S465-E467 PolarHBondContact OG-OE1 2.98Å
466	G	91	Very high	93.1	Very high	32 Å²	32	47.7 Å²	47.7	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	9	-179.7	0	0	0	0	0	114.4	K462 L463 I464 L468 R477	K462-G466 PolarHBondContact O-N 3.18Å; L463-G466 PolarHBondContact O-N 3.33Å; I464-G466 VanDerWaalsContact C-N 3.27Å; I464-G466 PolarHBondContact O-N 3.09Å; G466-L468 VanDerWaalsContact C-N 3.25Å; G466-R477 VanDerWaalsContact N-NH2 3.16Å
467	E	90.8	Very high	93.3	Very high	112 Å²	112	51.9 Å²	51.9	52%	0.523	27%	0.274	S	S	.	.	S	Bend	trans	-68.1	-27.6	171	-72.4	165.6	-129.4	0	0	112.4	K462 S465 R485	K462-E467 HydrophobicContact CB-CB 4.29Å; K462-E467 HydrophobicContact CG-CB 4.48Å; K462-E467 PolarHBondContact O-N 2.79Å; S465-E467 WeakPolarHBondContact OG-CG 3.36Å; S465-E467 PolarHBondContact OG-OE1 2.98Å; E467-R485 IonicContact OE1-CZ 3.34Å; E467-R485 IonicContact OE1-NH1 2.63Å; E467-R485 PolarHBondContact OE1-NH1 3.1Å; E467-R485 IonicContact OE2-CZ 3.35Å; E467-R485 IonicContact OE2-NH1 3.52Å; E467-R485 PolarHBondContact OE2-NH1 3.1Å
468	L	93	Very high	93.4	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.209	28%	0.283	C	S	.	.	S	Bend	trans	-118.9	141.6	174.2	-66.3	175.6	0	0	0	109.9	F424 Y426 T459 K462 L463 G466	F424-L468 HydrophobicContact CE1-CD1 4.3Å; F424-L468 HydrophobicContact CE2-CB 4.35Å; F424-L468 HydrophobicContact CZ-CB 4.46Å; F424-L468 HydrophobicContact CZ-CD1 3.88Å; F424-L468 HydrophobicContact CZ-CD2 4.5Å; Y426-L468 HydrophobicContact CE1-CD1 3.84Å; Y426-L468 HydrophobicContact CE1-CD2 4.41Å; T459-L468 HydrophobicContact CG2-CD1 4.05Å; K462-L468 HydrophobicContact CB-CB 4.35Å; K462-L468 HydrophobicContact CB-CD1 3.64Å; K462-L468 HydrophobicContact CB-CG 3.86Å; K462-L468 HydrophobicContact CD-CD1 3.85Å; K462-L468 HydrophobicContact CD-CG 4.34Å; K462-L468 HydrophobicContact CG-CD1 4.37Å; K462-L468 PolarHBondContact O-N 3.43Å; L463-L468 HydrophobicContact CD2-CB 3.84Å; L463-L468 HydrophobicContact CG-CB 4.28Å; G466-L468 VanDerWaalsContact C-N 3.25Å
469	L	93.6	Very high	93.4	Very high	145 Å²	145	56 Å²	56	76%	0.759	30%	0.301	S	S	*	.			trans	-93.9	138.5	171.3	-65.8	172.7	0	0	0	109.3	F424	F424-L469 WeakPolarHBondContact CD2-O 3.44Å; F424-L469 VanDerWaalsContact CE2-O 3.31Å; F424-L469 WeakPolarHBondContact CE2-O 3.44Å
470	P	94.1	Very high	93.4	Very high	33 Å²	33	61.9 Å²	61.9	21%	0.214	33%	0.328	C	S	.	.			trans	-62	150.6	173.1	28.7	-34.5	0	0	0	110.4	I422 D472	I422-P470 HydrophobicContact CB-CB 4.41Å; I422-P470 HydrophobicContact CG2-CB 4.41Å; P470-D472 WeakPolarHBondContact CB-O 3.47Å
471	T	93.6	Very high	93.4	Very high	71 Å²	71	63 Å²	63	44%	0.436	33%	0.334	S	S	.	.	S	Bend	trans	-74.3	-36.8	173.8	-52	0	0	0	0	110.6	S423 R425 W432	S423-T471 WeakPolarHBondContact O-CA 3.24Å; S423-T471 WeakPolarHBondContact O-CB 3.33Å; S423-T471 PolarHBondContact O-N 3.38Å; R425-T471 HydrophobicContact CG-CG2 4.35Å; R425-T471 PolarHBondContact N-OG1 3.36Å; R425-T471 VanDerWaalsContact N-OG1 3.14Å; R425-T471 PolarHBondContact O-OG1 2.94Å; W432-T471 HydrophobicContact CH2-CG2 4.15Å; W432-T471 HydrophobicContact CZ3-CG2 4.25Å
472	D	93.5	Very high	93.3	Very high	107 Å²	107	68.5 Å²	68.5	57%	0.572	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.5	173.6	-167.2	14.8	0	0	0	109.5	I422 S423 P470	I422-D472 CarbonylContact C-O 3.52Å; I422-D472 WeakPolarHBondContact CA-O 3.36Å; S423-D472 PolarHBondContact N-O 3.24Å; S423-D472 PolarHBondContact O-N 2.91Å; P470-D472 WeakPolarHBondContact CB-O 3.47Å
473	G	93.6	Very high	93.4	Very high	30 Å²	30	67.2 Å²	67.2	31%	0.309	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	84.6	-176.5	-173.8	0	0	0	0	0	114.1	Q420 H421	Q420-G473 WeakPolarHBondContact O-CA 3.42Å; H421-G473 WeakPolarHBondContact O-CA 3.15Å
474	L	94.1	Very high	93.4	Very high	79 Å²	79	67.2 Å²	67.2	41%	0.414	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.6	-170.7	-178.1	66.2	0	0	0	111.9	Q420 R476	Q420-L474 PolarHBondContact N-O 3.21Å; Q420-L474 PolarHBondContact O-N 2.92Å; L474-R476 HydrophobicContact CD2-CG 3.8Å; L474-R476 VanDerWaalsContact CD2-NH1 3.29Å; L474-R476 HydrophobicContact CG-CG 4.05Å
475	I	95.7	Very high	93.3	Very high	21 Å²	21	68.6 Å²	68.6	11%	0.108	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.8	169.9	-57.7	176.7	0	0	0	108.1	I417 M418 V419 I422 L463 R477	I417-I475 HydrophobicContact CG2-CG2 3.96Å; M418-I475 CarbonylContact O-C 3.59Å; M418-I475 WeakPolarHBondContact O-CA 3.08Å; V419-I475 HydrophobicContact CG1-CG1 4.43Å; V419-I475 HydrophobicContact CG2-CG1 4.37Å; V419-I475 HydrophobicContact CG2-CG2 4.37Å; I422-I475 HydrophobicContact CG2-CD1 4.48Å; I422-I475 HydrophobicContact CG2-CG1 3.89Å; L463-I475 HydrophobicContact CB-CD1 4.02Å; L463-I475 WeakPolarHBondContact O-CD1 3.43Å; I475-R477 HydrophobicContact CG2-CG 4.37Å
476	R	94.5	Very high	93.3	Very high	149 Å²	149	67.2 Å²	67.2	56%	0.562	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	133.6	173.6	-71.4	-175.2	144.3	107.5	-0.4	109.8	I417 M418 Q420 L474	I417-R476 CarbonylContact C-O 3.55Å; I417-R476 VanDerWaalsContact CA-O 3.31Å; I417-R476 WeakPolarHBondContact CA-O 3.23Å; M418-R476 HydrophobicContact CB-CB 4.36Å; M418-R476 PolarHBondContact N-O 3.38Å; M418-R476 PolarHBondContact O-N 3.4Å; Q420-R476 VanDerWaalsContact OE1-NH1 3.16Å; L474-R476 HydrophobicContact CD2-CG 3.8Å; L474-R476 VanDerWaalsContact CD2-NH1 3.29Å; L474-R476 HydrophobicContact CG-CG 4.05Å
477	R	94.4	Very high	93	Very high	92 Å²	92	67.7 Å²	67.7	35%	0.347	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.1	175.8	-61.6	-177.8	-172.5	93.9	8.9	109	I417 L463 I464 G466 I475 V481	I417-R477 HydrophobicContact CG1-CG 4.27Å; I417-R477 HydrophobicContact CG2-CG 4.25Å; L463-R477 PolarHBondContact O-NH2 3.04Å; I464-R477 VanDerWaalsContact O-CZ 3.3Å; I464-R477 PolarHBondContact O-NE 2.65Å; I464-R477 PolarHBondContact O-NH2 2.66Å; G466-R477 VanDerWaalsContact N-NH2 3.16Å; I475-R477 HydrophobicContact CG2-CG 4.37Å; R477-V481 HydrophobicContact CB-CG1 4Å
478	H	94.1	Very high	92.3	Very high	54 Å²	54	64.9 Å²	64.9	25%	0.25	33%	0.33	C	S	.	.			trans	-61.3	137.7	170.1	-171.8	-87.4	0	0	0	110.1	I412 V416 H480 V481	I412-H478 HydrophobicContact CG2-CB 3.88Å; I412-H478 VanDerWaalsContact CG2-CG 3.44Å; I412-H478 WeakPolarHBondContact CG2-ND1 3.4Å; V416-H478 PolarHBondContact O-N 3.36Å; H478-H480 AromaticContact CE1-CD2 3.82Å; H478-H480 PolarHBondContact ND1-N 2.77Å; H478-H480 PolarHBondContact O-N 3.49Å; H478-H480 VanDerWaalsContact O-N 3.12Å; H478-V481 HydrophobicContact CB-CB 4.38Å; H478-V481 WeakPolarHBondContact O-CB 3.39Å; H478-V481 WeakPolarHBondContact O-CG1 3.34Å; H478-V481 PolarHBondContact O-N 2.83Å
479	S	90.6	Very high	91.2	Very high	101 Å²	101	67.4 Å²	67.4	71%	0.706	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.9	-172.7	53.3	0	0	0	0	114.2
480	H	90.8	Very high	90	Very high	136 Å²	136	61 Å²	61	63%	0.63	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	-179.1	-61.5	-62.7	0	0	0	114.3	H478 K482 H557	H478-H480 AromaticContact CE1-CD2 3.82Å; H478-H480 PolarHBondContact ND1-N 2.77Å; H478-H480 PolarHBondContact O-N 3.49Å; H478-H480 VanDerWaalsContact O-N 3.12Å; H480-K482 PolarHBondContact O-N 3.14Å; H480-H557 PolarHBondContact O-CE1 3.34Å; H480-H557 VanDerWaalsContact O-CE1 3.31Å
481	V	94	Very high	88.7	Confident	24 Å²	24	59.7 Å²	59.7	15%	0.145	30%	0.298	C	S	.	.			trans	-64.9	136	179.5	77.4	0	0	0	0	110.3	I412 V416 R477 H478 I483 H557 I558	I412-V481 HydrophobicContact CD1-CB 4.16Å; I412-V481 HydrophobicContact CD1-CG2 4.38Å; V416-V481 HydrophobicContact CG1-CB 4.08Å; V416-V481 HydrophobicContact CG1-CG2 3.42Å; V416-V481 VanDerWaalsContact CG1-CG2 3.42Å; R477-V481 HydrophobicContact CB-CG1 4Å; H478-V481 HydrophobicContact CB-CB 4.38Å; H478-V481 WeakPolarHBondContact O-CB 3.39Å; H478-V481 WeakPolarHBondContact O-CG1 3.34Å; H478-V481 PolarHBondContact O-N 2.83Å; V481-I483 HydrophobicContact CG1-CG1 4.42Å; V481-I483 HydrophobicContact CG2-CG1 4.33Å; V481-H557 HydrophobicContact CG2-CB 4.05Å; V481-I558 HydrophobicContact CG2-CG1 4.1Å
482	K	94.1	Very high	87.6	Confident	115 Å²	115	61.5 Å²	61.5	50%	0.5	30%	0.301	S	S	.	.			trans	-114.1	124.1	171.3	-62.5	-179.7	-178.2	177.6	0	107.6	H480 P556 H557 I558	H480-K482 PolarHBondContact O-N 3.14Å; K482-P556 CarbonylContact O-C 3.59Å; K482-H557 WeakPolarHBondContact CB-ND1 3.37Å; K482-H557 PolarHBondContact N-ND1 3.42Å; K482-H557 PolarHBondContact O-N 3.49Å; K482-I558 PolarHBondContact O-N 3Å; K482-I558 VanDerWaalsContact O-N 3.15Å
483	I	95.1	Very high	86.6	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.205	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.4	-179.9	-56.6	175.5	0	0	0	106.9	I417 I464 V481 I558 L560	I417-I483 HydrophobicContact CD1-CD1 3.67Å; I417-I483 HydrophobicContact CD1-CG1 4.32Å; I464-I483 WeakPolarHBondContact O-CD1 3.42Å; V481-I483 HydrophobicContact CG1-CG1 4.42Å; V481-I483 HydrophobicContact CG2-CG1 4.33Å; I483-I558 WeakPolarHBondContact CA-O 3.27Å; I483-I558 HydrophobicContact CG1-CB 4.43Å; I483-L560 HydrophobicContact CG2-CD1 3.5Å; I483-L560 VanDerWaalsContact CG2-CD1 3.5Å; I483-L560 HydrophobicContact CG2-CG 3.67Å
484	G	93.4	Very high	86.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.1	174.7	0	0	0	0	0	108.7	L551 P556 I558 L559 L560	G484-L551 VanDerWaalsContact CA-CD1 3.49Å; G484-P556 VanDerWaalsContact CA-CB 3.5Å; G484-I558 PolarHBondContact N-O 2.79Å; G484-L559 CarbonylContact O-C 3.58Å; G484-L559 WeakPolarHBondContact O-CA 3.34Å; G484-L560 PolarHBondContact O-N 3.49Å
485	R	93	Very high	85.7	Confident	28 Å²	28	60.1 Å²	60.1	11%	0.106	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	-179.6	-175.5	178.4	178.2	-163.5	0.5	111.4	K462 E467 L560	K462-R485 VanDerWaalsContact CG-NH1 3.31Å; E467-R485 IonicContact OE1-CZ 3.34Å; E467-R485 IonicContact OE1-NH1 2.63Å; E467-R485 PolarHBondContact OE1-NH1 3.1Å; E467-R485 IonicContact OE2-CZ 3.35Å; E467-R485 IonicContact OE2-NH1 3.52Å; E467-R485 PolarHBondContact OE2-NH1 3.1Å; R485-L560 CarbonylContact C-O 3.44Å; R485-L560 WeakPolarHBondContact CA-O 3.36Å; R485-L560 HydrophobicContact CB-CB 4.22Å; R485-L560 HydrophobicContact CG-CB 4.06Å
486	Y	92	Very high	85.3	Confident	3 Å²	3	61.8 Å²	61.8	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.9	162	-166.2	-87.9	0	0	0	108.3	L490 C544 F548 L551 L560 L561 D562 P564	Y486-L490 HydrophobicContact CD2-CD2 3.9Å; Y486-L490 HydrophobicContact CE2-CD2 4.24Å; Y486-L490 HydrophobicContact CG-CD2 4.44Å; Y486-C544 WeakPolarHBondContact OH-CB 3.43Å; Y486-C544 PolarHBondContact OH-SG 3.41Å; Y486-F548 HydrophobicContact CD2-CD1 4.09Å; Y486-F548 AromaticContact CD2-CE1 3.81Å; Y486-F548 HydrophobicContact CD2-CE1 3.81Å; Y486-F548 HydrophobicContact CD2-CE2 4.3Å; Y486-F548 HydrophobicContact CD2-CG 4.45Å; Y486-F548 AromaticContact CD2-CZ 3.92Å; Y486-F548 HydrophobicContact CD2-CZ 3.92Å; Y486-F548 HydrophobicContact CE1-CZ 4.37Å; Y486-F548 HydrophobicContact CE2-CD1 4.23Å; Y486-F548 AromaticContact CE2-CD2 3.88Å; Y486-F548 HydrophobicContact CE2-CD2 3.88Å; Y486-F548 HydrophobicContact CE2-CE1 4.02Å; Y486-F548 AromaticContact CE2-CE2 3.65Å; Y486-F548 HydrophobicContact CE2-CE2 3.65Å; Y486-F548 HydrophobicContact CE2-CG 4.16Å; Y486-F548 AromaticContact CE2-CZ 3.72Å; Y486-F548 HydrophobicContact CE2-CZ 3.72Å; Y486-F548 HydrophobicContact CG-CE1 4.28Å; Y486-F548 HydrophobicContact CG-CZ 4.32Å; Y486-F548 AromaticContact CZ-CE2 3.83Å; Y486-F548 AromaticContact CZ-CZ 3.96Å; Y486-L551 HydrophobicContact CD2-CD2 4.33Å; Y486-L560 PolarHBondContact N-O 3.23Å; Y486-L561 HydrophobicContact CG-CD2 4.43Å; Y486-D562 WeakPolarHBondContact O-CB 3.34Å; Y486-D562 PolarHBondContact O-N 3.19Å; Y486-P564 HydrophobicContact CD1-CB 4.21Å; Y486-P564 HydrophobicContact CE1-CB 4.34Å
487	H	84.6	Confident	85	Confident	42 Å²	42	60.1 Å²	60.1	19%	0.194	30%	0.298	C	S	.	.			trans	-116.9	153.6	174.6	68.1	79.5	0	0	0	110.9	H489 L490 L493	H487-H489 VanDerWaalsContact C-N 3.31Å; H487-H489 VanDerWaalsContact CE1-C 3.44Å; H487-H489 PolarHBondContact ND1-N 3.44Å; H487-H489 PolarHBondContact O-N 3.44Å; H487-L490 WeakPolarHBondContact CE1-CA 3.46Å; H487-L490 PolarHBondContact CE1-N 3.18Å; H487-L490 PolarHBondContact ND1-N 3.36Å; H487-L490 VanDerWaalsContact ND1-N 3.15Å; H487-L490 VanDerWaalsContact NE2-CD1 3.33Å; H487-L490 WeakPolarHBondContact NE2-CD1 3.42Å; H487-L490 WeakPolarHBondContact O-CB 3.5Å; H487-L490 PolarHBondContact O-N 3.48Å; H487-L493 WeakPolarHBondContact CE1-CD1 3.38Å
488	Q	75.6	Confident	84.9	Confident	52 Å²	52	57.3 Å²	57.3	24%	0.243	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-46.7	-172.9	-171.1	168.7	18.5	0	0	113.7	L490 H491 D562 N566	Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.9Å; Q488-H491 PolarHBondContact O-CE1 3.07Å; Q488-H491 PolarHBondContact O-ND1 3.12Å; Q488-D562 PolarHBondContact N-O 3.03Å; Q488-N566 PolarHBondContact NE2-ND2 2.99Å; Q488-N566 VanDerWaalsContact NE2-ND2 3.1Å
489	H	71.3	Confident	84.8	Confident	93 Å²	93	54.9 Å²	54.9	43%	0.431	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	14.7	-179.5	-55.8	-68.5	0	0	0	114.9	H487 H491 E492 L493	H487-H489 VanDerWaalsContact C-N 3.31Å; H487-H489 VanDerWaalsContact CE1-C 3.44Å; H487-H489 PolarHBondContact ND1-N 3.44Å; H487-H489 PolarHBondContact O-N 3.44Å; H489-H491 VanDerWaalsContact C-N 3.28Å; H489-H491 PolarHBondContact O-N 3.4Å; H489-E492 IonicContact CE1-OE1 3.33Å; H489-E492 IonicContact CG-OE1 2.69Å; H489-E492 IonicContact ND1-OE1 3.43Å; H489-E492 PolarHBondContact ND1-OE1 2.89Å; H489-E492 IonicContact ND1-OE2 3.99Å; H489-E492 PolarHBondContact ND1-OE2 2.94Å; H489-E492 WeakPolarHBondContact O-CB 3.48Å; H489-E492 PolarHBondContact O-N 3.48Å; H489-E492 VanDerWaalsContact O-N 3.12Å; H489-L493 PolarHBondContact O-N 3.15Å
490	L	68.7	Low	84.8	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.5	-173.3	-177.6	63.9	0	0	0	112.2	Y486 H487 Q488 E492 L493 W550	Y486-L490 HydrophobicContact CD2-CD2 3.9Å; Y486-L490 HydrophobicContact CE2-CD2 4.24Å; Y486-L490 HydrophobicContact CG-CD2 4.44Å; H487-L490 WeakPolarHBondContact CE1-CA 3.46Å; H487-L490 PolarHBondContact CE1-N 3.18Å; H487-L490 PolarHBondContact ND1-N 3.36Å; H487-L490 VanDerWaalsContact ND1-N 3.15Å; H487-L490 VanDerWaalsContact NE2-CD1 3.33Å; H487-L490 WeakPolarHBondContact NE2-CD1 3.42Å; H487-L490 WeakPolarHBondContact O-CB 3.5Å; H487-L490 PolarHBondContact O-N 3.48Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.9Å; L490-E492 VanDerWaalsContact C-N 3.29Å; L490-E492 PolarHBondContact O-N 3.34Å; L490-L493 PolarHBondContact O-N 3.14Å; L490-W550 HydrophobicContact CD1-CZ3 4.15Å; L490-W550 HydrophobicContact CD2-CE3 4.17Å; L490-W550 HydrophobicContact CD2-CZ3 3.92Å
491	H	66.4	Low	85	Confident	6 Å²	6	44 Å²	44	3%	0.028	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.2	178	69.5	-83.4	0	0	0	112.9	Q488 H489 L494 R543 H567	Q488-H491 PolarHBondContact O-CE1 3.07Å; Q488-H491 PolarHBondContact O-ND1 3.12Å; H489-H491 VanDerWaalsContact C-N 3.28Å; H489-H491 PolarHBondContact O-N 3.4Å; H491-L494 HydrophobicContact CB-CD1 4.29Å; H491-L494 WeakPolarHBondContact O-CB 3.4Å; H491-L494 WeakPolarHBondContact O-CG 3.43Å; H491-R543 HydrophobicContact CB-CB 4.02Å; H491-H567 AromaticContact CE1-CD2 3.79Å; H491-H567 AromaticContact CE1-NE2 3.72Å; H491-H567 AromaticContact NE2-CD2 3.98Å; H491-H567 AromaticContact NE2-NE2 3.79Å
492	E	68.9	Low	84.9	Confident	110 Å²	110	47.9 Å²	47.9	51%	0.514	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-28.3	173.2	-62.2	172.8	-147.9	0	0	111.9	H489 L490 L494	H489-E492 IonicContact CE1-OE1 3.33Å; H489-E492 IonicContact CG-OE1 2.69Å; H489-E492 IonicContact ND1-OE1 3.43Å; H489-E492 PolarHBondContact ND1-OE1 2.89Å; H489-E492 IonicContact ND1-OE2 3.99Å; H489-E492 PolarHBondContact ND1-OE2 2.94Å; H489-E492 WeakPolarHBondContact O-CB 3.48Å; H489-E492 PolarHBondContact O-N 3.48Å; H489-E492 VanDerWaalsContact O-N 3.12Å; L490-E492 VanDerWaalsContact C-N 3.29Å; L490-E492 PolarHBondContact O-N 3.34Å; E492-L494 PolarHBondContact O-N 3.39Å
493	L	73.9	Confident	84.9	Confident	126 Å²	126	43.9 Å²	43.9	66%	0.66	22%	0.215	S	C	*	.	S	Bend	trans	-78.2	-6.4	174.7	-63.3	-177.8	0	0	0	113.4	H487 H489 L490	H487-L493 WeakPolarHBondContact CE1-CD1 3.38Å; H489-L493 PolarHBondContact O-N 3.15Å; L490-L493 PolarHBondContact O-N 3.14Å
494	L	82.3	Confident	84.7	Confident	5 Å²	5	42 Å²	42	3%	0.026	21%	0.206	C	C	.	.	S	Bend	trans	-65.5	136.7	173.8	-63.7	176.2	0	0	0	109.7	H491 E492 L496 Y503 M535 R543 V546	H491-L494 HydrophobicContact CB-CD1 4.29Å; H491-L494 WeakPolarHBondContact O-CB 3.4Å; H491-L494 WeakPolarHBondContact O-CG 3.43Å; E492-L494 PolarHBondContact O-N 3.39Å; L494-L496 HydrophobicContact CB-CD2 4.36Å; L494-L496 WeakPolarHBondContact O-CG 3.37Å; L494-L496 PolarHBondContact O-N 3.1Å; L494-Y503 HydrophobicContact CD2-CD1 4.14Å; L494-Y503 HydrophobicContact CD2-CD2 4.29Å; L494-Y503 HydrophobicContact CD2-CE1 3.58Å; L494-Y503 HydrophobicContact CD2-CE2 3.75Å; L494-Y503 HydrophobicContact CD2-CG 4.47Å; L494-M535 HydrophobicContact CB-CE 3.91Å; L494-M535 HydrophobicContact CB-SD 4.35Å; L494-M535 HydrophobicContact CD1-SD 4.12Å; L494-R543 HydrophobicContact CD1-CB 4.03Å; L494-V546 HydrophobicContact CD1-CB 4.41Å
495	D	86.3	Confident	84.6	Confident	55 Å²	55	43.7 Å²	43.7	29%	0.294	22%	0.215	S	C	.	.			trans	-68.9	95.8	173.1	-177.7	-7.9	0	0	0	109.4	N497 I498 K506 M535	D495-N497 PolarHBondContact O-N 3.45Å; D495-N497 VanDerWaalsContact O-N 3.07Å; D495-N497 PolarHBondContact OD1-N 3.45Å; D495-I498 HydrophobicContact CB-CD1 3.91Å; D495-I498 HydrophobicContact CB-CG1 3.82Å; D495-I498 VanDerWaalsContact O-CG1 3.28Å; D495-I498 WeakPolarHBondContact O-CG1 3.34Å; D495-I498 PolarHBondContact O-N 3.5Å; D495-K506 IonicContact OD2-NZ 3.06Å; D495-M535 WeakPolarHBondContact O-CE 3.44Å
496	L	86.4	Confident	84.5	Confident	56 Å²	56	49.2 Å²	49.2	29%	0.293	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.1	-171.9	-56.8	-177.6	0	0	0	113.7	L494 M535 K536	L494-L496 HydrophobicContact CB-CD2 4.36Å; L494-L496 WeakPolarHBondContact O-CG 3.37Å; L494-L496 PolarHBondContact O-N 3.1Å; L496-M535 HydrophobicContact CD2-CB 4.48Å; L496-M535 PolarHBondContact O-N 3.08Å; L496-K536 HydrophobicContact CB-CB 3.96Å; L496-K536 WeakPolarHBondContact O-CB 3.37Å; L496-K536 PolarHBondContact O-N 3.21Å
497	N	88.8	Confident	84.4	Confident	115 Å²	115	51.1 Å²	51.1	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-22.4	-179.3	-65.2	-51.1	0	0	0	113.1	D495	D495-N497 PolarHBondContact O-N 3.45Å; D495-N497 VanDerWaalsContact O-N 3.07Å; D495-N497 PolarHBondContact OD1-N 3.45Å
498	I	92.4	Very high	84.7	Confident	33 Å²	33	50 Å²	50	17%	0.169	25%	0.247	C	C	.	.	S	Bend	trans	-99.6	164.2	178.2	65.5	176	0	0	0	111	D495 E502 Y503 K506 M535	D495-I498 HydrophobicContact CB-CD1 3.91Å; D495-I498 HydrophobicContact CB-CG1 3.82Å; D495-I498 VanDerWaalsContact O-CG1 3.28Å; D495-I498 WeakPolarHBondContact O-CG1 3.34Å; D495-I498 PolarHBondContact O-N 3.5Å; I498-E502 HydrophobicContact CB-CB 4.18Å; I498-Y503 HydrophobicContact CD1-CD2 4.27Å; I498-K506 HydrophobicContact CD1-CD 4.29Å; I498-M535 HydrophobicContact CG1-CE 4.12Å; I498-M535 WeakPolarHBondContact O-CG 3.35Å; I498-M535 PolarHBondContact O-N 3.03Å
499	S	92.4	Very high	85.3	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.021	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-79.2	161	176.2	66	0	0	0	0	112.7	L501 E502 Y503 Q531 I532 C533	S499-L501 PolarHBondContact O-N 2.96Å; S499-E502 WeakPolarHBondContact CB-OE2 3.25Å; S499-E502 PolarHBondContact N-OE2 3.27Å; S499-E502 PolarHBondContact O-N 3.35Å; S499-E502 WeakPolarHBondContact OG-CB 3.35Å; S499-E502 WeakPolarHBondContact OG-CG 3.35Å; S499-E502 PolarHBondContact OG-N 2.81Å; S499-E502 PolarHBondContact OG-OE2 3.15Å; S499-Y503 WeakPolarHBondContact O-CB 3.43Å; S499-Y503 PolarHBondContact O-N 3.35Å; S499-Q531 WeakPolarHBondContact CB-O 3.43Å; S499-I532 VanDerWaalsContact CB-C 3.45Å; S499-I532 WeakPolarHBondContact CB-O 3.32Å; S499-C533 VanDerWaalsContact CA-O 3.3Å; S499-C533 WeakPolarHBondContact CA-O 3.29Å; S499-C533 WeakPolarHBondContact CB-O 3.35Å
500	A	91.1	Very high	86.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-36.9	176.6	0	0	0	0	0	112.1	M504 I521 M535 V546	A500-M504 VanDerWaalsContact O-CG 3.31Å; A500-M504 WeakPolarHBondContact O-CG 3.26Å; A500-M504 PolarHBondContact O-N 2.96Å; A500-I521 HydrophobicContact CB-CG2 4.43Å; A500-M535 HydrophobicContact CB-CG 4.33Å; A500-M535 HydrophobicContact CB-SD 4.26Å; A500-V546 HydrophobicContact CB-CG1 4.08Å; A500-V546 HydrophobicContact CB-CG2 3.72Å
501	L	93.3	Very high	87	Confident	9 Å²	9	54.6 Å²	54.6	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-45.2	176.8	-178.6	61.2	0	0	0	112	S499 Y503 M504 L505 M517 R518 I521 Q531 I532	S499-L501 PolarHBondContact O-N 2.96Å; L501-Y503 VanDerWaalsContact C-N 3.34Å; L501-M504 PolarHBondContact O-N 2.73Å; L501-L505 HydrophobicContact CD1-CD1 4.23Å; L501-L505 HydrophobicContact CD1-CG 4.49Å; L501-L505 HydrophobicContact CG-CD1 4.05Å; L501-L505 WeakPolarHBondContact O-CB 3.36Å; L501-L505 VanDerWaalsContact O-CG 3.32Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 3.47Å; L501-M517 HydrophobicContact CD1-CB 3.56Å; L501-R518 HydrophobicContact CD1-CG 3.72Å; L501-R518 HydrophobicContact CD2-CG 3.92Å; L501-R518 HydrophobicContact CG-CG 4.46Å; L501-I521 HydrophobicContact CB-CD1 4.22Å; L501-I521 HydrophobicContact CD1-CD1 4.07Å; L501-Q531 VanDerWaalsContact CB-O 3.23Å; L501-Q531 WeakPolarHBondContact CB-O 3.25Å; L501-Q531 PolarHBondContact N-O 3.39Å; L501-Q531 VanDerWaalsContact N-O 3.08Å; L501-I532 HydrophobicContact CD2-CG2 4.41Å
502	E	93.1	Very high	87.7	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-40.3	176.4	-73.3	162.5	161.6	0	0	111.6	I498 S499 L505 K506	I498-E502 HydrophobicContact CB-CB 4.18Å; S499-E502 WeakPolarHBondContact CB-OE2 3.25Å; S499-E502 PolarHBondContact N-OE2 3.27Å; S499-E502 PolarHBondContact O-N 3.35Å; S499-E502 WeakPolarHBondContact OG-CB 3.35Å; S499-E502 WeakPolarHBondContact OG-CG 3.35Å; S499-E502 PolarHBondContact OG-N 2.81Å; S499-E502 PolarHBondContact OG-OE2 3.15Å; E502-L505 PolarHBondContact O-N 3.22Å; E502-K506 VanDerWaalsContact O-CB 3.22Å; E502-K506 WeakPolarHBondContact O-CB 3.37Å; E502-K506 PolarHBondContact O-N 3.19Å
503	Y	92.8	Very high	88.5	Confident	32 Å²	32	64 Å²	64	13%	0.125	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-51.8	174.5	176.8	-99	0	0	0	111	L494 I498 S499 L501 L505 K506 S507 M535 V546 W550	L494-Y503 HydrophobicContact CD2-CD1 4.14Å; L494-Y503 HydrophobicContact CD2-CD2 4.29Å; L494-Y503 HydrophobicContact CD2-CE1 3.58Å; L494-Y503 HydrophobicContact CD2-CE2 3.75Å; L494-Y503 HydrophobicContact CD2-CG 4.47Å; I498-Y503 HydrophobicContact CD1-CD2 4.27Å; S499-Y503 WeakPolarHBondContact O-CB 3.43Å; S499-Y503 PolarHBondContact O-N 3.35Å; L501-Y503 VanDerWaalsContact C-N 3.34Å; Y503-L505 PolarHBondContact O-N 3.48Å; Y503-K506 PolarHBondContact O-N 3.1Å; Y503-S507 WeakPolarHBondContact O-CB 3.46Å; Y503-S507 PolarHBondContact O-N 3.29Å; Y503-S507 PolarHBondContact O-OG 2.78Å; Y503-S507 VanDerWaalsContact O-OG 3.07Å; Y503-M535 HydrophobicContact CD2-CE 4.06Å; Y503-M535 HydrophobicContact CG-CE 3.91Å; Y503-V546 HydrophobicContact CD1-CG1 4.11Å; Y503-W550 HydrophobicContact CE1-CB 4.2Å; Y503-W550 AromaticContact CE1-CD1 3.86Å; Y503-W550 HydrophobicContact CE1-CG 4.07Å
504	M	92.4	Very high	89.1	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-42.2	178.9	-73	-67.4	-67	0	0	112.7	A500 L501 S507 Y508 M517 I520 I521 W550 W553	A500-M504 VanDerWaalsContact O-CG 3.31Å; A500-M504 WeakPolarHBondContact O-CG 3.26Å; A500-M504 PolarHBondContact O-N 2.96Å; L501-M504 PolarHBondContact O-N 2.73Å; M504-S507 PolarHBondContact O-N 3.47Å; M504-Y508 HydrophobicContact CE-CD2 4.13Å; M504-Y508 HydrophobicContact CE-CE2 3.9Å; M504-Y508 WeakPolarHBondContact O-CD2 3.41Å; M504-Y508 PolarHBondContact O-N 2.97Å; M504-Y508 HydrophobicContact SD-CE2 4.29Å; M504-M517 HydrophobicContact CB-CG 4.39Å; M504-M517 HydrophobicContact CB-SD 3.66Å; M504-M517 HydrophobicContact CE-SD 3.84Å; M504-I520 HydrophobicContact CE-CG2 3.98Å; M504-I521 HydrophobicContact CB-CD1 4.08Å; M504-I521 HydrophobicContact CG-CD1 3.7Å; M504-I521 HydrophobicContact CG-CG1 3.83Å; M504-W550 VanDerWaalsContact SD-CA 3.52Å; M504-W550 HydrophobicContact SD-CB 3.68Å; M504-W550 HydrophobicContact SD-CG 4.43Å; M504-W553 HydrophobicContact CE-CB 4.12Å; M504-W553 HydrophobicContact CE-CG 4.41Å
505	L	91.7	Very high	89.5	Confident	36 Å²	36	69.2 Å²	69.2	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-66.4	-35.6	176	-72.5	167.1	0	0	0	112.8	L501 E502 Y503 Y508 K514 M517	L501-L505 HydrophobicContact CD1-CD1 4.23Å; L501-L505 HydrophobicContact CD1-CG 4.49Å; L501-L505 HydrophobicContact CG-CD1 4.05Å; L501-L505 WeakPolarHBondContact O-CB 3.36Å; L501-L505 VanDerWaalsContact O-CG 3.32Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 3.47Å; E502-L505 PolarHBondContact O-N 3.22Å; Y503-L505 PolarHBondContact O-N 3.48Å; L505-Y508 CarbonylContact O-C 3.58Å; L505-K514 HydrophobicContact CD1-CD 4.02Å; L505-K514 HydrophobicContact CD1-CG 3.88Å; L505-K514 HydrophobicContact CD2-CG 4.19Å; L505-M517 HydrophobicContact CD2-CB 4.44Å; L505-M517 HydrophobicContact CD2-CG 3.72Å; L505-M517 HydrophobicContact CG-CG 4.1Å
506	K	91.1	Very high	89.6	Confident	143 Å²	143	69 Å²	69	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-70.9	-36.8	175.6	-174.8	-177.8	179.4	-176.8	0	111.4	D495 I498 E502 Y503	D495-K506 IonicContact OD2-NZ 3.06Å; I498-K506 HydrophobicContact CD1-CD 4.29Å; E502-K506 VanDerWaalsContact O-CB 3.22Å; E502-K506 WeakPolarHBondContact O-CB 3.37Å; E502-K506 PolarHBondContact O-N 3.19Å; Y503-K506 PolarHBondContact O-N 3.1Å
507	S	89.6	Confident	89.8	Confident	43 Å²	43	66.4 Å²	66.4	30%	0.301	32%	0.324	S	S	.	.	H	α-helix	trans	-71.1	-29.7	176.2	-64.3	0	0	0	0	113.1	Y503 M504	Y503-S507 WeakPolarHBondContact O-CB 3.46Å; Y503-S507 PolarHBondContact O-N 3.29Å; Y503-S507 PolarHBondContact O-OG 2.78Å; Y503-S507 VanDerWaalsContact O-OG 3.07Å; M504-S507 PolarHBondContact O-N 3.47Å
508	Y	90.7	Very high	89.9	Confident	19 Å²	19	65.8 Å²	65.8	8%	0.075	31%	0.313	C	S	.	.			trans	-128.6	71.6	-178.8	-56.6	-67.5	0	0	0	112	M504 L505 E510 V511 W550 W553 Q554	M504-Y508 HydrophobicContact CE-CD2 4.13Å; M504-Y508 HydrophobicContact CE-CE2 3.9Å; M504-Y508 WeakPolarHBondContact O-CD2 3.41Å; M504-Y508 PolarHBondContact O-N 2.97Å; M504-Y508 HydrophobicContact SD-CE2 4.29Å; L505-Y508 CarbonylContact O-C 3.58Å; Y508-E510 VanDerWaalsContact CA-OE2 3.25Å; Y508-E510 WeakPolarHBondContact CA-OE2 3.48Å; Y508-E510 WeakPolarHBondContact CD1-OE1 3.35Å; Y508-E510 PolarHBondContact O-N 2.85Å; Y508-E510 VanDerWaalsContact O-N 3.14Å; Y508-V511 PolarHBondContact O-N 2.72Å; Y508-W550 AromaticContact CE2-CD1 3.64Å; Y508-W550 HydrophobicContact CE2-CG 4.48Å; Y508-W550 AromaticContact CZ-CD1 3.82Å; Y508-W550 AromaticContact CZ-NE1 3.91Å; Y508-W550 PolarHBondContact OH-NE1 3.17Å; Y508-W550 PolarHBondContact OH-O 2.99Å; Y508-W553 AromaticContact CD1-CD1 3.68Å; Y508-W553 AromaticContact CD2-CD1 3.47Å; Y508-W553 VanDerWaalsContact CD2-CD1 3.47Å; Y508-W553 HydrophobicContact CD2-CG 4.16Å; Y508-W553 AromaticContact CE1-CD1 3.75Å; Y508-W553 HydrophobicContact CE2-CB 3.93Å; Y508-W553 AromaticContact CE2-CD1 3.52Å; Y508-W553 AromaticContact CE2-CG 3.97Å; Y508-W553 HydrophobicContact CE2-CG 3.97Å; Y508-W553 AromaticContact CG-CD1 3.56Å; Y508-W553 AromaticContact CG-NE1 3.89Å; Y508-W553 AromaticContact CZ-CD1 3.67Å; Y508-Q554 HydrophobicContact CE1-CG 4.38Å; Y508-Q554 WeakPolarHBondContact OH-CG 2.96Å; Y508-Q554 PolarHBondContact OH-NE2 3.38Å
509	P	88.5	Confident	89.7	Confident	102 Å²	102	70.2 Å²	70.2	66%	0.662	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.3	-178.2	-21	33.4	0	0	0	114.3	V511	P509-V511 PolarHBondContact O-N 3.23Å
510	E	88.5	Confident	89.6	Confident	125 Å²	125	70.4 Å²	70.4	58%	0.584	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.5	175.8	71.1	-79.3	-172	0	0	113	Y508 K512	Y508-E510 VanDerWaalsContact CA-OE2 3.25Å; Y508-E510 WeakPolarHBondContact CA-OE2 3.48Å; Y508-E510 WeakPolarHBondContact CD1-OE1 3.35Å; Y508-E510 PolarHBondContact O-N 2.85Å; Y508-E510 VanDerWaalsContact O-N 3.14Å; E510-K512 PolarHBondContact O-N 3.46Å
511	V	86.9	Confident	89.6	Confident	24 Å²	24	70.4 Å²	70.4	15%	0.145	33%	0.332	C	S	.	.			trans	-83.8	106.7	-179.1	-176.3	0	0	0	0	110.1	Y508 P509 M517 W553	Y508-V511 PolarHBondContact O-N 2.72Å; P509-V511 PolarHBondContact O-N 3.23Å; V511-M517 HydrophobicContact CB-CE 4Å; V511-M517 HydrophobicContact CG1-CE 3.76Å; V511-M517 HydrophobicContact CG1-CG 4.35Å; V511-M517 HydrophobicContact CG2-CE 3.8Å; V511-W553 HydrophobicContact CG2-CZ2 3.8Å
512	K	81.6	Confident	89.4	Confident	199 Å²	199	71 Å²	71	87%	0.865	34%	0.34	S	S	*	.			trans	-76.7	-35.3	-179	-61.6	-177.4	-178.5	178.5	0	112.8	E510 K514	E510-K512 PolarHBondContact O-N 3.46Å; K512-K514 PolarHBondContact O-N 3.04Å
513	E	85.3	Confident	89.1	Confident	116 Å²	116	71 Å²	71	54%	0.542	34%	0.336	S	S	.	.			trans	-87.4	110	-174.8	-65	-165.6	-173.9	0	0	111.6	E515 D516	E513-E515 PolarHBondContact O-N 3.33Å; E513-D516 PolarHBondContact O-N 2.69Å
514	K	86.7	Confident	88.9	Confident	124 Å²	124	69.6 Å²	69.6	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-26.5	175.4	-61.5	-168.1	177.4	-178.2	0	112.6	L505 K512 D516 M517 R518	L505-K514 HydrophobicContact CD1-CD 4.02Å; L505-K514 HydrophobicContact CD1-CG 3.88Å; L505-K514 HydrophobicContact CD2-CG 4.19Å; K512-K514 PolarHBondContact O-N 3.04Å; K514-D516 VanDerWaalsContact C-N 3.33Å; K514-D516 PolarHBondContact O-N 2.83Å; K514-M517 PolarHBondContact O-N 3Å; K514-R518 WeakPolarHBondContact O-CG 3.36Å; K514-R518 PolarHBondContact O-N 3.42Å
515	E	89.5	Confident	88.6	Confident	115 Å²	115	69.8 Å²	69.8	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-35	-179.2	-67	-165	168.5	0	0	112.9	E513 R518 K519	E513-E515 PolarHBondContact O-N 3.33Å; E515-R518 WeakPolarHBondContact O-CB 3.44Å; E515-R518 PolarHBondContact O-N 3.36Å; E515-K519 VanDerWaalsContact O-CG 3.28Å; E515-K519 WeakPolarHBondContact O-CG 3.38Å; E515-K519 PolarHBondContact O-N 2.95Å
516	D	88.7	Confident	88.4	Confident	52 Å²	52	68.1 Å²	68.1	28%	0.278	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-39.8	178.9	-69	-21.1	0	0	0	111.5	E513 K514 R518 K519 I520 W553	E513-D516 PolarHBondContact O-N 2.69Å; K514-D516 VanDerWaalsContact C-N 3.33Å; K514-D516 PolarHBondContact O-N 2.83Å; D516-R518 VanDerWaalsContact C-N 3.33Å; D516-R518 PolarHBondContact O-N 3.33Å; D516-K519 PolarHBondContact O-N 3.2Å; D516-K519 IonicContact OD1-NZ 3.12Å; D516-K519 PolarHBondContact OD1-NZ 3.3Å; D516-K519 VanDerWaalsContact OD1-NZ 3.12Å; D516-I520 WeakPolarHBondContact O-CG2 3.01Å; D516-I520 PolarHBondContact O-N 3.03Å; D516-W553 HydrophobicContact CB-CH2 4.24Å
517	M	90.3	Very high	88.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-42.8	170.3	-67.9	-61.7	112.7	0	0	111.6	L501 M504 L505 V511 K514 K519 I520 I521 W553	L501-M517 HydrophobicContact CD1-CB 3.56Å; M504-M517 HydrophobicContact CB-CG 4.39Å; M504-M517 HydrophobicContact CB-SD 3.66Å; M504-M517 HydrophobicContact CE-SD 3.84Å; L505-M517 HydrophobicContact CD2-CB 4.44Å; L505-M517 HydrophobicContact CD2-CG 3.72Å; L505-M517 HydrophobicContact CG-CG 4.1Å; V511-M517 HydrophobicContact CB-CE 4Å; V511-M517 HydrophobicContact CG1-CE 3.76Å; V511-M517 HydrophobicContact CG1-CG 4.35Å; V511-M517 HydrophobicContact CG2-CE 3.8Å; K514-M517 PolarHBondContact O-N 3Å; M517-K519 VanDerWaalsContact C-N 3.34Å; M517-K519 PolarHBondContact O-N 2.88Å; M517-I520 WeakPolarHBondContact O-CG2 3.49Å; M517-I520 PolarHBondContact O-N 3.45Å; M517-I521 WeakPolarHBondContact O-CB 3.23Å; M517-I521 VanDerWaalsContact O-CD1 3.29Å; M517-I521 WeakPolarHBondContact O-CD1 3.44Å; M517-I521 WeakPolarHBondContact O-CG1 2.9Å; M517-I521 PolarHBondContact O-N 2.92Å; M517-W553 HydrophobicContact CE-CD2 3.69Å; M517-W553 HydrophobicContact CE-CE3 4.04Å; M517-W553 HydrophobicContact CE-CG 4.36Å; M517-W553 HydrophobicContact CE-CH2 3.66Å; M517-W553 HydrophobicContact CE-CZ2 3.29Å; M517-W553 HydrophobicContact CE-CZ3 4.02Å
518	R	91	Very high	88.1	Confident	102 Å²	102	65.1 Å²	65.1	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-38.1	175.5	-69.3	-169.3	-179.1	121.8	-1.9	112.7	L501 K514 E515 D516 G522 Q531	L501-R518 HydrophobicContact CD1-CG 3.72Å; L501-R518 HydrophobicContact CD2-CG 3.92Å; L501-R518 HydrophobicContact CG-CG 4.46Å; K514-R518 WeakPolarHBondContact O-CG 3.36Å; K514-R518 PolarHBondContact O-N 3.42Å; E515-R518 WeakPolarHBondContact O-CB 3.44Å; E515-R518 PolarHBondContact O-N 3.36Å; D516-R518 VanDerWaalsContact C-N 3.33Å; D516-R518 PolarHBondContact O-N 3.33Å; R518-G522 WeakPolarHBondContact O-CA 3.03Å; R518-G522 PolarHBondContact O-N 2.98Å; R518-Q531 PolarHBondContact O-NE2 2.84Å
519	K	89.4	Confident	87.8	Confident	127 Å²	127	74.7 Å²	74.7	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-65.2	-47.5	177.9	-73.1	168.1	-164.7	158	0	110.9	E515 D516 M517 G522 R523	E515-K519 VanDerWaalsContact O-CG 3.28Å; E515-K519 WeakPolarHBondContact O-CG 3.38Å; E515-K519 PolarHBondContact O-N 2.95Å; D516-K519 PolarHBondContact O-N 3.2Å; D516-K519 IonicContact OD1-NZ 3.12Å; D516-K519 PolarHBondContact OD1-NZ 3.3Å; D516-K519 VanDerWaalsContact OD1-NZ 3.12Å; M517-K519 VanDerWaalsContact C-N 3.34Å; M517-K519 PolarHBondContact O-N 2.88Å; K519-G522 PolarHBondContact O-N 3.01Å; K519-R523 PolarHBondContact O-N 3.31Å
520	I	89.5	Confident	87.6	Confident	6 Å²	6	72.9 Å²	72.9	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-65.6	-48.1	179.4	-172.3	61.4	0	0	0	111.4	F407 M504 D516 M517 G522 R523 Y524 A549 W553	F407-I520 HydrophobicContact CE2-CD1 3.6Å; F407-I520 HydrophobicContact CZ-CD1 3.74Å; M504-I520 HydrophobicContact CE-CG2 3.98Å; D516-I520 WeakPolarHBondContact O-CG2 3.01Å; D516-I520 PolarHBondContact O-N 3.03Å; M517-I520 WeakPolarHBondContact O-CG2 3.49Å; M517-I520 PolarHBondContact O-N 3.45Å; I520-G522 PolarHBondContact O-N 3.4Å; I520-R523 WeakPolarHBondContact O-CB 3.24Å; I520-R523 PolarHBondContact O-N 3.47Å; I520-R523 VanDerWaalsContact O-N 3.07Å; I520-Y524 HydrophobicContact CD1-CD2 4.16Å; I520-Y524 HydrophobicContact CD1-CE2 3.74Å; I520-Y524 HydrophobicContact CG1-CD2 4.43Å; I520-Y524 HydrophobicContact CG1-CE2 4.31Å; I520-Y524 WeakPolarHBondContact O-CD2 3.45Å; I520-Y524 PolarHBondContact O-N 3.14Å; I520-A549 HydrophobicContact CG1-CB 4.39Å; I520-W553 HydrophobicContact CB-CE3 4.05Å; I520-W553 HydrophobicContact CB-CZ3 4.22Å; I520-W553 HydrophobicContact CG1-CE3 4.06Å; I520-W553 HydrophobicContact CG2-CE3 3.97Å; I520-W553 HydrophobicContact CG2-CZ3 4.25Å
521	I	90.8	Very high	87.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.2	-40.4	176.1	-63.5	165.5	0	0	0	110.5	A500 L501 M504 M517 R523 Y524 G525 I526 Q531	A500-I521 HydrophobicContact CB-CG2 4.43Å; L501-I521 HydrophobicContact CB-CD1 4.22Å; L501-I521 HydrophobicContact CD1-CD1 4.07Å; M504-I521 HydrophobicContact CB-CD1 4.08Å; M504-I521 HydrophobicContact CG-CD1 3.7Å; M504-I521 HydrophobicContact CG-CG1 3.83Å; M517-I521 WeakPolarHBondContact O-CB 3.23Å; M517-I521 VanDerWaalsContact O-CD1 3.29Å; M517-I521 WeakPolarHBondContact O-CD1 3.44Å; M517-I521 WeakPolarHBondContact O-CG1 2.9Å; M517-I521 PolarHBondContact O-N 2.92Å; I521-R523 VanDerWaalsContact C-N 3.33Å; I521-R523 PolarHBondContact O-N 3.42Å; I521-Y524 PolarHBondContact O-N 2.86Å; I521-G525 PolarHBondContact O-N 3.49Å; I521-G525 VanDerWaalsContact O-N 3.12Å; I521-I526 CarbonylContact C-O 3.37Å; I521-I526 HydrophobicContact CG2-CB 3.58Å; I521-I526 HydrophobicContact CG2-CD1 4.47Å; I521-I526 HydrophobicContact CG2-CG2 3.78Å; I521-I526 PolarHBondContact O-N 2.82Å; I521-I526 VanDerWaalsContact O-N 3.15Å; I521-Q531 HydrophobicContact CG2-CG 3.84Å
522	G	89.7	Confident	87.9	Confident	21 Å²	21	71.3 Å²	71.3	22%	0.216	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-37.3	176.2	0	0	0	0	0	113.5	R518 K519 I520 G525 I526	R518-G522 WeakPolarHBondContact O-CA 3.03Å; R518-G522 PolarHBondContact O-N 2.98Å; K519-G522 PolarHBondContact O-N 3.01Å; I520-G522 PolarHBondContact O-N 3.4Å; G522-G525 WeakPolarHBondContact O-CA 3.39Å; G522-G525 PolarHBondContact O-N 3.38Å; G522-I526 WeakPolarHBondContact CA-O 3.48Å; G522-I526 PolarHBondContact N-O 2.94Å
523	R	87.3	Confident	88.3	Confident	106 Å²	106	63.1 Å²	63.1	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-41.5	177	-165.6	172.5	-173.2	169.9	0.2	111.9	Q403 K519 I520 I521 G525	Q403-R523 VanDerWaalsContact O-O 3.11Å; K519-R523 PolarHBondContact O-N 3.31Å; I520-R523 WeakPolarHBondContact O-CB 3.24Å; I520-R523 PolarHBondContact O-N 3.47Å; I520-R523 VanDerWaalsContact O-N 3.07Å; I521-R523 VanDerWaalsContact C-N 3.33Å; I521-R523 PolarHBondContact O-N 3.42Å; R523-G525 PolarHBondContact O-N 2.92Å
524	Y	88.6	Confident	88.3	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-77.5	-6.7	174.1	-75.4	-87.9	0	0	0	114.1	F404 Y405 I520 I521 R545 F548 A549 A552	F404-Y524 HydrophobicContact CB-CE1 4.03Å; F404-Y524 AromaticContact CD1-CD1 3.62Å; F404-Y524 HydrophobicContact CD1-CD1 3.62Å; F404-Y524 AromaticContact CD1-CE1 3.54Å; F404-Y524 HydrophobicContact CD1-CE1 3.54Å; F404-Y524 HydrophobicContact CE1-CD1 4.11Å; F404-Y524 HydrophobicContact CE1-CE1 4.4Å; F404-Y524 HydrophobicContact CG-CD1 4.33Å; F404-Y524 HydrophobicContact CG-CE1 4.15Å; Y405-Y524 VanDerWaalsContact C-OH 3.32Å; Y405-Y524 PolarHBondContact N-OH 3.03Å; Y405-Y524 PolarHBondContact O-OH 3.25Å; I520-Y524 HydrophobicContact CD1-CD2 4.16Å; I520-Y524 HydrophobicContact CD1-CE2 3.74Å; I520-Y524 HydrophobicContact CG1-CD2 4.43Å; I520-Y524 HydrophobicContact CG1-CE2 4.31Å; I520-Y524 WeakPolarHBondContact O-CD2 3.45Å; I520-Y524 PolarHBondContact O-N 3.14Å; I521-Y524 PolarHBondContact O-N 2.86Å; Y524-R545 WeakPolarHBondContact O-CD 3.36Å; Y524-R545 PolarHBondContact O-NH1 2.86Å; Y524-F548 HydrophobicContact CD1-CB 3.69Å; Y524-F548 HydrophobicContact CE1-CB 3.5Å; Y524-A549 HydrophobicContact CD2-CB 3.47Å; Y524-A549 VanDerWaalsContact CD2-CB 3.47Å; Y524-A549 HydrophobicContact CE2-CB 4.07Å; Y524-A549 HydrophobicContact CG-CB 3.81Å; Y524-A552 HydrophobicContact CE2-CB 4.09Å; Y524-A552 WeakPolarHBondContact OH-CB 3.5Å
525	G	84.7	Confident	88.4	Confident	5 Å²	5	53.5 Å²	53.5	5%	0.052	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	17.1	162.2	0	0	0	0	0	116.8	K402 I521 G522 R523	K402-G525 PolarHBondContact NZ-O 3.3Å; I521-G525 PolarHBondContact O-N 3.49Å; I521-G525 VanDerWaalsContact O-N 3.12Å; G522-G525 WeakPolarHBondContact O-CA 3.39Å; G522-G525 PolarHBondContact O-N 3.38Å; R523-G525 PolarHBondContact O-N 2.92Å
526	I	87.6	Confident	88.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.268	C	S	.	.			trans	-100.6	111.9	171.1	-63.7	167.5	0	0	0	105.6	I521 G522 Q530 Q531 Q542 R545 V546	I521-I526 CarbonylContact C-O 3.37Å; I521-I526 HydrophobicContact CG2-CB 3.58Å; I521-I526 HydrophobicContact CG2-CD1 4.47Å; I521-I526 HydrophobicContact CG2-CG2 3.78Å; I521-I526 PolarHBondContact O-N 2.82Å; I521-I526 VanDerWaalsContact O-N 3.15Å; G522-I526 WeakPolarHBondContact CA-O 3.48Å; G522-I526 PolarHBondContact N-O 2.94Å; I526-Q530 HydrophobicContact CG2-CB 3.73Å; I526-Q530 WeakPolarHBondContact CG2-O 3.36Å; I526-Q531 HydrophobicContact CG2-CG 3.91Å; I526-Q531 WeakPolarHBondContact O-CG 3.5Å; I526-Q531 PolarHBondContact O-NE2 3.5Å; I526-Q542 WeakPolarHBondContact CD1-O 3.49Å; I526-R545 HydrophobicContact CD1-CB 4.27Å; I526-V546 HydrophobicContact CD1-CB 4.25Å; I526-V546 HydrophobicContact CD1-CG2 3.14Å
527	T	87.4	Confident	87.8	Confident	69 Å²	69	58.1 Å²	58.1	42%	0.423	28%	0.284	S	S	.	.			trans	-130.6	153.5	-171.2	53.9	0	0	0	0	111.7	R529 Q530	T527-R529 PolarHBondContact O-N 2.78Å; T527-Q530 PolarHBondContact O-N 3.28Å
528	G	86.7	Confident	87.5	Confident	54 Å²	54	58.7 Å²	58.7	56%	0.557	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	60.8	-127.6	174.2	0	0	0	0	0	112.3	Q530 Q531	G528-Q530 PolarHBondContact O-N 3.04Å; G528-Q531 PolarHBondContact O-N 3.49Å; G528-Q531 VanDerWaalsContact O-N 3.13Å
529	R	85.2	Confident	87	Confident	220 Å²	220	56.4 Å²	56.4	83%	0.83	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-59.1	-30.6	-176.9	-70.8	-173.4	177.8	-179.3	-0.4	113.4	T527 Q531 I532 C533	T527-R529 PolarHBondContact O-N 2.78Å; R529-Q531 PolarHBondContact O-N 2.91Å; R529-I532 WeakPolarHBondContact O-CG1 3.29Å; R529-I532 PolarHBondContact O-N 3.45Å; R529-C533 PolarHBondContact O-N 2.88Å
530	Q	85.4	Confident	86.6	Confident	64 Å²	64	53.2 Å²	53.2	30%	0.299	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-66.2	-22.8	-179.5	-64.2	177.2	-32	0	0	113.2	I526 T527 G528 I532 L538	I526-Q530 HydrophobicContact CG2-CB 3.73Å; I526-Q530 WeakPolarHBondContact CG2-O 3.36Å; T527-Q530 PolarHBondContact O-N 3.28Å; G528-Q530 PolarHBondContact O-N 3.04Å; Q530-I532 VanDerWaalsContact C-N 3.34Å; Q530-L538 HydrophobicContact CB-CD2 4.15Å; Q530-L538 HydrophobicContact CG-CD2 4.49Å
531	Q	90.4	Very high	86.2	Confident	13 Å²	13	53.2 Å²	53.2	6%	0.061	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-76.6	-23.8	178.1	-65.8	-173.7	-11.3	0	0	113	S499 L501 R518 I521 I526 G528 R529	S499-Q531 WeakPolarHBondContact CB-O 3.43Å; L501-Q531 VanDerWaalsContact CB-O 3.23Å; L501-Q531 WeakPolarHBondContact CB-O 3.25Å; L501-Q531 PolarHBondContact N-O 3.39Å; L501-Q531 VanDerWaalsContact N-O 3.08Å; R518-Q531 PolarHBondContact O-NE2 2.84Å; I521-Q531 HydrophobicContact CG2-CG 3.84Å; I526-Q531 HydrophobicContact CG2-CG 3.91Å; I526-Q531 WeakPolarHBondContact O-CG 3.5Å; I526-Q531 PolarHBondContact O-NE2 3.5Å; G528-Q531 PolarHBondContact O-N 3.49Å; G528-Q531 VanDerWaalsContact O-N 3.13Å; R529-Q531 PolarHBondContact O-N 2.91Å
532	I	90.1	Very high	86	Confident	103 Å²	103	55.6 Å²	55.6	53%	0.528	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-12.9	-173.5	59.5	168.3	0	0	0	112.8	S499 L501 R529 Q530	S499-I532 VanDerWaalsContact CB-C 3.45Å; S499-I532 WeakPolarHBondContact CB-O 3.32Å; L501-I532 HydrophobicContact CD2-CG2 4.41Å; R529-I532 WeakPolarHBondContact O-CG1 3.29Å; R529-I532 PolarHBondContact O-N 3.45Å; Q530-I532 VanDerWaalsContact C-N 3.34Å
533	C	89.3	Confident	85.9	Confident	26 Å²	26	56.3 Å²	56.3	18%	0.176	28%	0.284	C	S	.	.	S	Bend	trans	-75.9	149.5	172.6	72.1	0	0	0	0	110.1	S499 R529	S499-C533 VanDerWaalsContact CA-O 3.3Å; S499-C533 WeakPolarHBondContact CA-O 3.29Å; S499-C533 WeakPolarHBondContact CB-O 3.35Å; R529-C533 PolarHBondContact O-N 2.88Å
534	P	87.3	Confident	85.9	Confident	38 Å²	38	51.2 Å²	51.2	25%	0.247	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-55.5	140.2	174.2	-27.5	36.6	0	0	0	112.3	K536 Q537	P534-K536 HydrophobicContact CB-CG 4.06Å; P534-K536 PolarHBondContact O-N 3.32Å; P534-K536 VanDerWaalsContact O-N 3.16Å; P534-Q537 WeakPolarHBondContact O-CB 3.23Å; P534-Q537 PolarHBondContact O-N 3.24Å
535	M	87.4	Confident	85.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.6	-175.5	-72	-171.5	-68.8	0	0	113.8	L494 D495 L496 I498 A500 Y503 Q537 L538 V546	L494-M535 HydrophobicContact CB-CE 3.91Å; L494-M535 HydrophobicContact CB-SD 4.35Å; L494-M535 HydrophobicContact CD1-SD 4.12Å; D495-M535 WeakPolarHBondContact O-CE 3.44Å; L496-M535 HydrophobicContact CD2-CB 4.48Å; L496-M535 PolarHBondContact O-N 3.08Å; I498-M535 HydrophobicContact CG1-CE 4.12Å; I498-M535 WeakPolarHBondContact O-CG 3.35Å; I498-M535 PolarHBondContact O-N 3.03Å; A500-M535 HydrophobicContact CB-CG 4.33Å; A500-M535 HydrophobicContact CB-SD 4.26Å; Y503-M535 HydrophobicContact CD2-CE 4.06Å; Y503-M535 HydrophobicContact CG-CE 3.91Å; M535-Q537 PolarHBondContact O-N 3.31Å; M535-Q537 VanDerWaalsContact O-N 3.15Å; M535-L538 HydrophobicContact CB-CD1 4.33Å; M535-L538 HydrophobicContact CG-CD1 3.96Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3.24Å; M535-V546 HydrophobicContact SD-CG1 4.07Å; M535-V546 HydrophobicContact SD-CG2 4.26Å
536	K	84.2	Confident	86.2	Confident	132 Å²	132	52.4 Å²	52.4	57%	0.574	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.6	-19.4	170.2	67.8	-173.4	-179.5	-176.5	0	114.6	L496 P534	L496-K536 HydrophobicContact CB-CB 3.96Å; L496-K536 WeakPolarHBondContact O-CB 3.37Å; L496-K536 PolarHBondContact O-N 3.21Å; P534-K536 HydrophobicContact CB-CG 4.06Å; P534-K536 PolarHBondContact O-N 3.32Å; P534-K536 VanDerWaalsContact O-N 3.16Å
537	Q	82.6	Confident	86.4	Confident	133 Å²	133	52.4 Å²	52.4	62%	0.621	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-91.6	-8.6	177	-60.8	-179.2	-2.2	0	0	112.6	P534 M535	P534-Q537 WeakPolarHBondContact O-CB 3.23Å; P534-Q537 PolarHBondContact O-N 3.24Å; M535-Q537 PolarHBondContact O-N 3.31Å; M535-Q537 VanDerWaalsContact O-N 3.15Å
538	L	83.5	Confident	86.6	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	25%	0.248	C	C	.	.	S	Bend	trans	-84.7	145.4	177.3	-59.8	-179.1	0	0	0	109.8	Q530 M535 Q542 R543 V546	Q530-L538 HydrophobicContact CB-CD2 4.15Å; Q530-L538 HydrophobicContact CG-CD2 4.49Å; M535-L538 HydrophobicContact CB-CD1 4.33Å; M535-L538 HydrophobicContact CG-CD1 3.96Å; M535-L538 WeakPolarHBondContact O-CB 3.33Å; M535-L538 PolarHBondContact O-N 3.24Å; L538-Q542 HydrophobicContact CB-CB 3.94Å; L538-R543 HydrophobicContact CB-CG 3.95Å; L538-V546 HydrophobicContact CD1-CG2 4.28Å
539	S	80.2	Confident	86.8	Confident	54 Å²	54	46.5 Å²	46.5	38%	0.378	22%	0.221	S	C	.	.			trans	-68.4	160.8	172.1	72.7	0	0	0	0	111.1	G541 Q542 R543	S539-G541 VanDerWaalsContact C-N 3.33Å; S539-G541 PolarHBondContact O-N 2.86Å; S539-Q542 VanDerWaalsContact N-OE1 3.1Å; S539-Q542 CarbonylContact O-C 3.57Å; S539-Q542 WeakPolarHBondContact O-CA 3.48Å; S539-Q542 WeakPolarHBondContact O-CB 3.27Å; S539-Q542 PolarHBondContact O-N 3.09Å; S539-Q542 WeakPolarHBondContact OG-CG 3.28Å; S539-Q542 PolarHBondContact OG-N 3.34Å; S539-R543 WeakPolarHBondContact O-CG 3.34Å; S539-R543 PolarHBondContact O-N 3.41Å
540	D	80	Confident	87.2	Confident	59 Å²	59	38.4 Å²	38.4	32%	0.316	19%	0.191	S	C	.	.	H	α-helix	trans	-54.8	-47.9	-179.8	-60.5	6.7	0	0	0	111.9	Q542 R543 C544 H567	D540-Q542 VanDerWaalsContact C-N 3.25Å; D540-Q542 PolarHBondContact O-N 3.33Å; D540-R543 CarbonylContact O-C 3.57Å; D540-R543 WeakPolarHBondContact O-CA 3.21Å; D540-R543 WeakPolarHBondContact O-CB 3.31Å; D540-R543 PolarHBondContact O-N 3.21Å; D540-R543 IonicContact OD1-CZ 3.27Å; D540-R543 IonicContact OD1-NE 3.97Å; D540-R543 IonicContact OD1-NH2 3.57Å; D540-R543 PolarHBondContact OD1-NH2 2.88Å; D540-R543 IonicContact OD2-NH2 2.91Å; D540-C544 PolarHBondContact O-N 3.29Å; D540-C544 PolarHBondContact O-SG 2.91Å; D540-H567 HydrophobicContact CB-CB 3.7Å; D540-H567 IonicContact OD2-CE1 3.33Å; D540-H567 IonicContact OD2-ND1 2.62Å; D540-H567 PolarHBondContact OD2-ND1 3.13Å
541	G	82.1	Confident	87.5	Confident	7 Å²	7	35.3 Å²	35.3	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-29.7	175.2	0	0	0	0	0	114.3	S539 R545 H567	S539-G541 VanDerWaalsContact C-N 3.33Å; S539-G541 PolarHBondContact O-N 2.86Å; G541-R545 VanDerWaalsContact O-CG 3.31Å; G541-R545 WeakPolarHBondContact O-CG 3.14Å; G541-R545 PolarHBondContact O-N 3.46Å; G541-H567 VanDerWaalsContact CA-O 3.23Å; G541-H567 WeakPolarHBondContact CA-O 3.47Å
542	Q	85.8	Confident	87.5	Confident	49 Å²	49	34.7 Å²	34.7	23%	0.229	17%	0.173	C	C	.	.	H	α-helix	trans	-73	-41.8	171.6	-71.7	169.9	-10.6	0	0	110.8	I526 L538 S539 D540 C544 R545 V546	I526-Q542 WeakPolarHBondContact CD1-O 3.49Å; L538-Q542 HydrophobicContact CB-CB 3.94Å; S539-Q542 VanDerWaalsContact N-OE1 3.1Å; S539-Q542 CarbonylContact O-C 3.57Å; S539-Q542 WeakPolarHBondContact O-CA 3.48Å; S539-Q542 WeakPolarHBondContact O-CB 3.27Å; S539-Q542 PolarHBondContact O-N 3.09Å; S539-Q542 WeakPolarHBondContact OG-CG 3.28Å; S539-Q542 PolarHBondContact OG-N 3.34Å; D540-Q542 VanDerWaalsContact C-N 3.25Å; D540-Q542 PolarHBondContact O-N 3.33Å; Q542-C544 VanDerWaalsContact C-N 3.33Å; Q542-C544 PolarHBondContact O-N 3.1Å; Q542-R545 WeakPolarHBondContact O-CB 3.39Å; Q542-R545 PolarHBondContact O-N 3.27Å; Q542-R545 VanDerWaalsContact O-N 3.07Å; Q542-V546 PolarHBondContact O-N 3.19Å; Q542-V546 VanDerWaalsContact O-N 3.07Å
543	R	87.7	Confident	87.6	Confident	36 Å²	36	33 Å²	33	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-42.7	174.9	-64.3	-172.1	-72.6	165.8	-3	111.4	H491 L494 L538 S539 D540 R545 V546 S547	H491-R543 HydrophobicContact CB-CB 4.02Å; L494-R543 HydrophobicContact CD1-CB 4.03Å; L538-R543 HydrophobicContact CB-CG 3.95Å; S539-R543 WeakPolarHBondContact O-CG 3.34Å; S539-R543 PolarHBondContact O-N 3.41Å; D540-R543 CarbonylContact O-C 3.57Å; D540-R543 WeakPolarHBondContact O-CA 3.21Å; D540-R543 WeakPolarHBondContact O-CB 3.31Å; D540-R543 PolarHBondContact O-N 3.21Å; D540-R543 IonicContact OD1-CZ 3.27Å; D540-R543 IonicContact OD1-NE 3.97Å; D540-R543 IonicContact OD1-NH2 3.57Å; D540-R543 PolarHBondContact OD1-NH2 2.88Å; D540-R543 IonicContact OD2-NH2 2.91Å; R543-R545 VanDerWaalsContact C-N 3.29Å; R543-R545 PolarHBondContact O-N 2.9Å; R543-V546 WeakPolarHBondContact O-CB 3.36Å; R543-V546 PolarHBondContact O-N 3.28Å; R543-S547 PolarHBondContact O-N 3.19Å; R543-S547 PolarHBondContact O-OG 3.17Å
544	C	88.1	Confident	87.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.4	-42.8	171.5	-66.2	0	0	0	0	111.9	Y486 D540 Q542 V546 S547 F548 L568	Y486-C544 WeakPolarHBondContact OH-CB 3.43Å; Y486-C544 PolarHBondContact OH-SG 3.41Å; D540-C544 PolarHBondContact O-N 3.29Å; D540-C544 PolarHBondContact O-SG 2.91Å; Q542-C544 VanDerWaalsContact C-N 3.33Å; Q542-C544 PolarHBondContact O-N 3.1Å; C544-V546 VanDerWaalsContact C-N 3.35Å; C544-V546 PolarHBondContact O-N 3.19Å; C544-S547 WeakPolarHBondContact O-CB 3.42Å; C544-S547 PolarHBondContact O-N 3.22Å; C544-S547 VanDerWaalsContact O-N 3.14Å; C544-F548 WeakPolarHBondContact O-CD2 3.22Å; C544-F548 PolarHBondContact O-N 3.31Å; C544-L568 HydrophobicContact CB-CD2 4.18Å
545	R	88.9	Confident	88	Confident	31 Å²	31	38.2 Å²	38.2	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-35.7	176.1	-72	164.7	176.8	-89.9	3.5	112.9	F404 Y524 I526 G541 Q542 R543 F548 A549 S572	F404-R545 HydrophobicContact CE1-CG 4.29Å; F404-R545 HydrophobicContact CZ-CG 4.22Å; Y524-R545 WeakPolarHBondContact O-CD 3.36Å; Y524-R545 PolarHBondContact O-NH1 2.86Å; I526-R545 HydrophobicContact CD1-CB 4.27Å; G541-R545 VanDerWaalsContact O-CG 3.31Å; G541-R545 WeakPolarHBondContact O-CG 3.14Å; G541-R545 PolarHBondContact O-N 3.46Å; Q542-R545 WeakPolarHBondContact O-CB 3.39Å; Q542-R545 PolarHBondContact O-N 3.27Å; Q542-R545 VanDerWaalsContact O-N 3.07Å; R543-R545 VanDerWaalsContact C-N 3.29Å; R543-R545 PolarHBondContact O-N 2.9Å; R545-F548 PolarHBondContact O-N 3.36Å; R545-A549 PolarHBondContact O-N 2.85Å; R545-S572 PolarHBondContact NH2-OG 2.91Å
546	V	90.7	Very high	88.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-47.5	170.8	-176	0	0	0	0	110	L494 A500 Y503 I526 M535 L538 Q542 R543 C544 F548 A549 W550	L494-V546 HydrophobicContact CD1-CB 4.41Å; A500-V546 HydrophobicContact CB-CG1 4.08Å; A500-V546 HydrophobicContact CB-CG2 3.72Å; Y503-V546 HydrophobicContact CD1-CG1 4.11Å; I526-V546 HydrophobicContact CD1-CB 4.25Å; I526-V546 HydrophobicContact CD1-CG2 3.14Å; M535-V546 HydrophobicContact SD-CG1 4.07Å; M535-V546 HydrophobicContact SD-CG2 4.26Å; L538-V546 HydrophobicContact CD1-CG2 4.28Å; Q542-V546 PolarHBondContact O-N 3.19Å; Q542-V546 VanDerWaalsContact O-N 3.07Å; R543-V546 WeakPolarHBondContact O-CB 3.36Å; R543-V546 PolarHBondContact O-N 3.28Å; C544-V546 VanDerWaalsContact C-N 3.35Å; C544-V546 PolarHBondContact O-N 3.19Å; V546-F548 VanDerWaalsContact C-N 3.3Å; V546-F548 PolarHBondContact O-N 3.45Å; V546-A549 WeakPolarHBondContact O-CB 3.36Å; V546-A549 PolarHBondContact O-N 3.3Å; V546-A549 VanDerWaalsContact O-N 3.11Å; V546-W550 PolarHBondContact O-N 3.03Å
547	S	91.6	Very high	88.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-38.8	179.2	-60.3	0	0	0	0	112.2	R543 C544 W550 L551	R543-S547 PolarHBondContact O-N 3.19Å; R543-S547 PolarHBondContact O-OG 3.17Å; C544-S547 WeakPolarHBondContact O-CB 3.42Å; C544-S547 PolarHBondContact O-N 3.22Å; C544-S547 VanDerWaalsContact O-N 3.14Å; S547-W550 PolarHBondContact O-N 3Å; S547-L551 WeakPolarHBondContact O-CB 3.41Å; S547-L551 PolarHBondContact O-N 3.1Å
548	F	91.6	Very high	89.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.5	-39.1	173	-80.2	-68	0	0	0	113.2	F404 F406 Y486 Y524 C544 R545 V546 W550 L551 A552 L561 P564 L568 L576	F404-F548 HydrophobicContact CD1-CB 4.13Å; F404-F548 HydrophobicContact CD1-CD2 4.09Å; F404-F548 HydrophobicContact CD1-CG 4Å; F404-F548 HydrophobicContact CE1-CB 4.2Å; F404-F548 AromaticContact CE1-CD2 3.56Å; F404-F548 HydrophobicContact CE1-CD2 3.56Å; F404-F548 HydrophobicContact CE1-CE2 4.08Å; F404-F548 AromaticContact CE1-CG 3.93Å; F404-F548 HydrophobicContact CE1-CG 3.93Å; F406-F548 HydrophobicContact CE1-CD1 4.3Å; F406-F548 AromaticContact CZ-CD1 3.97Å; F406-F548 HydrophobicContact CZ-CD1 3.97Å; F406-F548 HydrophobicContact CZ-CE1 4.25Å; Y486-F548 HydrophobicContact CD2-CD1 4.09Å; Y486-F548 AromaticContact CD2-CE1 3.81Å; Y486-F548 HydrophobicContact CD2-CE1 3.81Å; Y486-F548 HydrophobicContact CD2-CE2 4.3Å; Y486-F548 HydrophobicContact CD2-CG 4.45Å; Y486-F548 AromaticContact CD2-CZ 3.92Å; Y486-F548 HydrophobicContact CD2-CZ 3.92Å; Y486-F548 HydrophobicContact CE1-CZ 4.37Å; Y486-F548 HydrophobicContact CE2-CD1 4.23Å; Y486-F548 AromaticContact CE2-CD2 3.88Å; Y486-F548 HydrophobicContact CE2-CD2 3.88Å; Y486-F548 HydrophobicContact CE2-CE1 4.02Å; Y486-F548 AromaticContact CE2-CE2 3.65Å; Y486-F548 HydrophobicContact CE2-CE2 3.65Å; Y486-F548 HydrophobicContact CE2-CG 4.16Å; Y486-F548 AromaticContact CE2-CZ 3.72Å; Y486-F548 HydrophobicContact CE2-CZ 3.72Å; Y486-F548 HydrophobicContact CG-CE1 4.28Å; Y486-F548 HydrophobicContact CG-CZ 4.32Å; Y486-F548 AromaticContact CZ-CE2 3.83Å; Y486-F548 AromaticContact CZ-CZ 3.96Å; Y524-F548 HydrophobicContact CD1-CB 3.69Å; Y524-F548 HydrophobicContact CE1-CB 3.5Å; C544-F548 WeakPolarHBondContact O-CD2 3.22Å; C544-F548 PolarHBondContact O-N 3.31Å; R545-F548 PolarHBondContact O-N 3.36Å; V546-F548 VanDerWaalsContact C-N 3.3Å; V546-F548 PolarHBondContact O-N 3.45Å; F548-W550 VanDerWaalsContact C-N 3.32Å; F548-L551 PolarHBondContact O-N 2.95Å; F548-A552 WeakPolarHBondContact O-CB 3.38Å; F548-A552 PolarHBondContact O-N 3.43Å; F548-L561 HydrophobicContact CE1-CD2 4.38Å; F548-P564 HydrophobicContact CZ-CB 3.86Å; F548-L568 HydrophobicContact CE2-CD1 4.2Å; F548-L576 HydrophobicContact CD1-CD1 4.37Å; F548-L576 HydrophobicContact CE1-CD1 3.77Å; F548-L576 HydrophobicContact CZ-CD1 3.95Å; F548-L576 HydrophobicContact CZ-CD2 3.97Å
549	A	91.3	Very high	90.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-42.8	174.2	0	0	0	0	0	111.6	I520 Y524 R545 V546 W553	I520-A549 HydrophobicContact CG1-CB 4.39Å; Y524-A549 HydrophobicContact CD2-CB 3.47Å; Y524-A549 VanDerWaalsContact CD2-CB 3.47Å; Y524-A549 HydrophobicContact CE2-CB 4.07Å; Y524-A549 HydrophobicContact CG-CB 3.81Å; R545-A549 PolarHBondContact O-N 2.85Å; V546-A549 WeakPolarHBondContact O-CB 3.36Å; V546-A549 PolarHBondContact O-N 3.3Å; V546-A549 VanDerWaalsContact O-N 3.11Å; A549-W553 PolarHBondContact O-N 3.29Å
550	W	92.2	Very high	90.9	Very high	49 Å²	49	23.3 Å²	23.3	19%	0.186	10%	0.1	C	C	.	.	H	α-helix	trans	-60.7	-47.2	174.2	170.7	82.9	0	0	0	111.8	L490 Y503 M504 Y508 V546 S547 F548 W553	L490-W550 HydrophobicContact CD1-CZ3 4.15Å; L490-W550 HydrophobicContact CD2-CE3 4.17Å; L490-W550 HydrophobicContact CD2-CZ3 3.92Å; Y503-W550 HydrophobicContact CE1-CB 4.2Å; Y503-W550 AromaticContact CE1-CD1 3.86Å; Y503-W550 HydrophobicContact CE1-CG 4.07Å; M504-W550 VanDerWaalsContact SD-CA 3.52Å; M504-W550 HydrophobicContact SD-CB 3.68Å; M504-W550 HydrophobicContact SD-CG 4.43Å; Y508-W550 AromaticContact CE2-CD1 3.64Å; Y508-W550 HydrophobicContact CE2-CG 4.48Å; Y508-W550 AromaticContact CZ-CD1 3.82Å; Y508-W550 AromaticContact CZ-NE1 3.91Å; Y508-W550 PolarHBondContact OH-NE1 3.17Å; Y508-W550 PolarHBondContact OH-O 2.99Å; V546-W550 PolarHBondContact O-N 3.03Å; S547-W550 PolarHBondContact O-N 3Å; F548-W550 VanDerWaalsContact C-N 3.32Å; W550-W553 PolarHBondContact O-N 3.45Å
551	L	92.3	Very high	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-45.4	-179.9	178.8	61.9	0	0	0	112	F406 G484 Y486 S547 F548 W553 Q554 L559 L561	F406-L551 HydrophobicContact CE1-CD2 4.35Å; G484-L551 VanDerWaalsContact CA-CD1 3.49Å; Y486-L551 HydrophobicContact CD2-CD2 4.33Å; S547-L551 WeakPolarHBondContact O-CB 3.41Å; S547-L551 PolarHBondContact O-N 3.1Å; F548-L551 PolarHBondContact O-N 2.95Å; L551-W553 VanDerWaalsContact C-N 3.3Å; L551-W553 PolarHBondContact O-N 3.47Å; L551-Q554 WeakPolarHBondContact O-CB 3.43Å; L551-Q554 PolarHBondContact O-N 3.3Å; L551-L559 HydrophobicContact CD1-CD2 4.37Å; L551-L559 HydrophobicContact CD2-CD2 4.02Å; L551-L559 HydrophobicContact CG-CD2 4.14Å; L551-L561 HydrophobicContact CD2-CD2 4.18Å
552	A	91.6	Very high	92.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-35.4	-179.3	0	0	0	0	0	112.5	F406 F407 Y524 F548 Q554 R555	F406-A552 HydrophobicContact CD1-CB 3.99Å; F406-A552 HydrophobicContact CE1-CB 4.46Å; F407-A552 HydrophobicContact CD2-CB 4.41Å; F407-A552 WeakPolarHBondContact CD2-O 3.44Å; Y524-A552 HydrophobicContact CE2-CB 4.09Å; Y524-A552 WeakPolarHBondContact OH-CB 3.5Å; F548-A552 WeakPolarHBondContact O-CB 3.38Å; F548-A552 PolarHBondContact O-N 3.43Å; A552-Q554 PolarHBondContact O-N 3.48Å; A552-Q554 VanDerWaalsContact O-N 3.17Å; A552-R555 PolarHBondContact O-N 3.04Å
553	W	91.8	Very high	92.3	Very high	66 Å²	66	18.7 Å²	18.7	25%	0.25	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-26	177.8	-166.7	-98.3	0	0	0	113.5	F407 M504 Y508 V511 D516 M517 I520 A549 W550 L551 R555	F407-W553 HydrophobicContact CE2-CE3 4.44Å; M504-W553 HydrophobicContact CE-CB 4.12Å; M504-W553 HydrophobicContact CE-CG 4.41Å; Y508-W553 AromaticContact CD1-CD1 3.68Å; Y508-W553 AromaticContact CD2-CD1 3.47Å; Y508-W553 VanDerWaalsContact CD2-CD1 3.47Å; Y508-W553 HydrophobicContact CD2-CG 4.16Å; Y508-W553 AromaticContact CE1-CD1 3.75Å; Y508-W553 HydrophobicContact CE2-CB 3.93Å; Y508-W553 AromaticContact CE2-CD1 3.52Å; Y508-W553 AromaticContact CE2-CG 3.97Å; Y508-W553 HydrophobicContact CE2-CG 3.97Å; Y508-W553 AromaticContact CG-CD1 3.56Å; Y508-W553 AromaticContact CG-NE1 3.89Å; Y508-W553 AromaticContact CZ-CD1 3.67Å; V511-W553 HydrophobicContact CG2-CZ2 3.8Å; D516-W553 HydrophobicContact CB-CH2 4.24Å; M517-W553 HydrophobicContact CE-CD2 3.69Å; M517-W553 HydrophobicContact CE-CE3 4.04Å; M517-W553 HydrophobicContact CE-CG 4.36Å; M517-W553 HydrophobicContact CE-CH2 3.66Å; M517-W553 HydrophobicContact CE-CZ2 3.29Å; M517-W553 HydrophobicContact CE-CZ3 4.02Å; I520-W553 HydrophobicContact CB-CE3 4.05Å; I520-W553 HydrophobicContact CB-CZ3 4.22Å; I520-W553 HydrophobicContact CG1-CE3 4.06Å; I520-W553 HydrophobicContact CG2-CE3 3.97Å; I520-W553 HydrophobicContact CG2-CZ3 4.25Å; A549-W553 PolarHBondContact O-N 3.29Å; W550-W553 PolarHBondContact O-N 3.45Å; L551-W553 VanDerWaalsContact C-N 3.3Å; L551-W553 PolarHBondContact O-N 3.47Å; W553-R555 PolarHBondContact O-N 3.18Å
554	Q	90.9	Very high	92.4	Very high	53 Å²	53	17 Å²	17	25%	0.248	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.3	177.6	-58.9	178.8	1.5	0	0	113.4	Y508 L551 A552	Y508-Q554 HydrophobicContact CE1-CG 4.38Å; Y508-Q554 WeakPolarHBondContact OH-CG 2.96Å; Y508-Q554 PolarHBondContact OH-NE2 3.38Å; L551-Q554 WeakPolarHBondContact O-CB 3.43Å; L551-Q554 PolarHBondContact O-N 3.3Å; A552-Q554 PolarHBondContact O-N 3.48Å; A552-Q554 VanDerWaalsContact O-N 3.17Å
555	R	92.6	Very high	92.4	Very high	121 Å²	121	17.8 Å²	17.8	46%	0.457	7%	0.073	S	C	.	.			trans	47.7	59.5	-170.7	-55.3	-173.9	65.2	177.3	0.5	111.2	F407 D408 A552 W553	F407-R555 HydrophobicContact CB-CG 3.96Å; F407-R555 HydrophobicContact CD2-CG 4.48Å; F407-R555 HydrophobicContact CG-CG 4.42Å; D408-R555 PolarHBondContact O-NE 3.46Å; D408-R555 PolarHBondContact O-NH2 3Å; A552-R555 PolarHBondContact O-N 3.04Å; W553-R555 PolarHBondContact O-N 3.18Å
556	P	95.5	Very high	92.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.013	7%	0.073	C	C	.	.			trans	-70.8	141.3	-177.1	30.8	-34.6	0	0	0	111	P409 K482 G484 L559 F583	P409-P556 VanDerWaalsContact CB-O 3.31Å; P409-P556 WeakPolarHBondContact CB-O 3.42Å; K482-P556 CarbonylContact O-C 3.59Å; G484-P556 VanDerWaalsContact CA-CB 3.5Å; P556-L559 HydrophobicContact CB-CD2 4.28Å; P556-L559 HydrophobicContact CG-CD2 3.4Å; P556-L559 VanDerWaalsContact CG-CD2 3.4Å; P556-L559 HydrophobicContact CG-CG 4.2Å; P556-F583 WeakPolarHBondContact O-CE2 3.48Å; P556-F583 WeakPolarHBondContact O-CZ 3.39Å
557	H	96.3	Very high	91.6	Very high	17 Å²	17	20.5 Å²	20.5	8%	0.079	9%	0.088	C	C	.	.	S	Bend	trans	-78.4	-31.9	173	-60.4	88.9	0	0	0	111.9	P409 I412 L443 H480 V481 K482 G585 G586	P409-H557 HydrophobicContact CB-CB 4.28Å; P409-H557 PolarHBondContact O-NE2 2.8Å; I412-H557 HydrophobicContact CD1-CB 4.18Å; I412-H557 WeakPolarHBondContact CD1-CD2 3.48Å; I412-H557 WeakPolarHBondContact CD1-NE2 3.36Å; L443-H557 HydrophobicContact CD2-CB 3.91Å; L443-H557 WeakPolarHBondContact CD2-O 3.36Å; H480-H557 PolarHBondContact O-CE1 3.34Å; H480-H557 VanDerWaalsContact O-CE1 3.31Å; V481-H557 HydrophobicContact CG2-CB 4.05Å; K482-H557 WeakPolarHBondContact CB-ND1 3.37Å; K482-H557 PolarHBondContact N-ND1 3.42Å; K482-H557 PolarHBondContact O-N 3.49Å; H557-G585 CarbonylContact O-C 3.14Å; H557-G585 WeakPolarHBondContact O-CA 3.32Å; H557-G586 PolarHBondContact O-N 3.43Å
558	I	96.6	Very high	91.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.7	175.8	-54.9	-64.3	0	0	0	109	V416 I417 I441 L443 V481 K482 I483 G484 L560 G586	V416-I558 HydrophobicContact CG1-CD1 4.36Å; V416-I558 HydrophobicContact CG1-CG1 4.36Å; I417-I558 HydrophobicContact CD1-CG1 4.33Å; I441-I558 HydrophobicContact CG2-CD1 4.03Å; I441-I558 HydrophobicContact CG2-CG2 4.46Å; L443-I558 HydrophobicContact CD2-CD1 4.22Å; V481-I558 HydrophobicContact CG2-CG1 4.1Å; K482-I558 PolarHBondContact O-N 3Å; K482-I558 VanDerWaalsContact O-N 3.15Å; I483-I558 WeakPolarHBondContact CA-O 3.27Å; I483-I558 HydrophobicContact CG1-CB 4.43Å; G484-I558 PolarHBondContact N-O 2.79Å; I558-L560 HydrophobicContact CG2-CD2 3.85Å; I558-G586 CarbonylContact C-O 3.01Å; I558-G586 VanDerWaalsContact CA-O 3.23Å; I558-G586 WeakPolarHBondContact CA-O 3.27Å
559	L	96	Very high	90.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	172.5	-73.7	176.6	0	0	0	110.6	F406 G484 L551 P556 L561 F583 G586 M587 L588	F406-L559 HydrophobicContact CB-CD1 4.48Å; F406-L559 HydrophobicContact CD1-CD1 3.85Å; F406-L559 HydrophobicContact CD1-CD2 4.29Å; F406-L559 HydrophobicContact CD2-CD1 3.92Å; F406-L559 HydrophobicContact CE1-CD1 4.01Å; F406-L559 HydrophobicContact CE1-CD2 4.26Å; F406-L559 HydrophobicContact CE2-CD1 4.07Å; F406-L559 HydrophobicContact CG-CD1 3.81Å; F406-L559 HydrophobicContact CZ-CD1 4.11Å; G484-L559 CarbonylContact O-C 3.58Å; G484-L559 WeakPolarHBondContact O-CA 3.34Å; L551-L559 HydrophobicContact CD1-CD2 4.37Å; L551-L559 HydrophobicContact CD2-CD2 4.02Å; L551-L559 HydrophobicContact CG-CD2 4.14Å; P556-L559 HydrophobicContact CB-CD2 4.28Å; P556-L559 HydrophobicContact CG-CD2 3.4Å; P556-L559 VanDerWaalsContact CG-CD2 3.4Å; P556-L559 HydrophobicContact CG-CG 4.2Å; L559-L561 HydrophobicContact CB-CG 4.46Å; L559-F583 HydrophobicContact CB-CE1 4.11Å; L559-F583 HydrophobicContact CD1-CD1 3.54Å; L559-F583 HydrophobicContact CD1-CD2 4.34Å; L559-F583 HydrophobicContact CD1-CE1 3.49Å; L559-F583 VanDerWaalsContact CD1-CE1 3.49Å; L559-F583 HydrophobicContact CD1-CE2 4.31Å; L559-F583 HydrophobicContact CD1-CG 3.97Å; L559-F583 HydrophobicContact CD1-CZ 3.9Å; L559-F583 HydrophobicContact CG-CD1 4.15Å; L559-F583 HydrophobicContact CG-CE1 3.55Å; L559-F583 HydrophobicContact CG-CE2 4.49Å; L559-F583 HydrophobicContact CG-CZ 3.75Å; L559-G586 PolarHBondContact N-O 3.35Å; L559-M587 HydrophobicContact CB-CB 4.41Å; L559-M587 HydrophobicContact CB-CG 4.41Å; L559-M587 CarbonylContact O-C 3.47Å; L559-M587 VanDerWaalsContact O-CA 3.32Å; L559-M587 WeakPolarHBondContact O-CA 3.43Å; L559-L588 PolarHBondContact O-N 3.5Å
560	L	96.3	Very high	90.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	106	171.4	-55	-173.7	0	0	0	107.9	L461 I464 I483 G484 R485 Y486 I558 L588	L461-L560 HydrophobicContact CB-CD1 4.48Å; L461-L560 HydrophobicContact CD2-CB 4.23Å; L461-L560 HydrophobicContact CD2-CD2 4.11Å; I464-L560 HydrophobicContact CB-CD1 4.42Å; I464-L560 HydrophobicContact CG2-CD1 4.18Å; I464-L560 HydrophobicContact CG2-CD2 4.19Å; I483-L560 HydrophobicContact CG2-CD1 3.5Å; I483-L560 VanDerWaalsContact CG2-CD1 3.5Å; I483-L560 HydrophobicContact CG2-CG 3.67Å; G484-L560 PolarHBondContact O-N 3.49Å; R485-L560 CarbonylContact C-O 3.44Å; R485-L560 WeakPolarHBondContact CA-O 3.36Å; R485-L560 HydrophobicContact CB-CB 4.22Å; R485-L560 HydrophobicContact CG-CB 4.06Å; Y486-L560 PolarHBondContact N-O 3.23Å; I558-L560 HydrophobicContact CG2-CD2 3.85Å; L560-L588 HydrophobicContact CD2-CB 3.76Å; L560-L588 HydrophobicContact CD2-CD1 3.66Å; L560-L588 HydrophobicContact CD2-CG 3.84Å
561	L	95.1	Very high	89.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.1	-176.4	-58.1	178.6	0	0	0	109.6	Y486 F548 L551 L559 P564 I580 L588 L589 V590	Y486-L561 HydrophobicContact CG-CD2 4.43Å; F548-L561 HydrophobicContact CE1-CD2 4.38Å; L551-L561 HydrophobicContact CD2-CD2 4.18Å; L559-L561 HydrophobicContact CB-CG 4.46Å; L561-P564 HydrophobicContact CB-CB 4.4Å; L561-P564 HydrophobicContact CB-CG 4.07Å; L561-I580 HydrophobicContact CD1-CD1 3.48Å; L561-I580 VanDerWaalsContact CD1-CD1 3.48Å; L561-I580 HydrophobicContact CD1-CG1 4.08Å; L561-L588 PolarHBondContact N-O 2.63Å; L561-L589 HydrophobicContact CB-CD1 3.79Å; L561-L589 HydrophobicContact CD1-CD1 4.36Å; L561-L589 CarbonylContact O-C 3.59Å; L561-V590 PolarHBondContact O-N 3.2Å
562	D	92.5	Very high	89.3	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.043	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	104.6	178.8	-157.8	-0.5	0	0	0	110.2	T458 L461 Y486 Q488 V590	T458-D562 WeakPolarHBondContact CG2-OD2 3.39Å; T458-D562 PolarHBondContact OG1-OD2 3.31Å; L461-D562 HydrophobicContact CD1-CB 3.73Å; Y486-D562 WeakPolarHBondContact O-CB 3.34Å; Y486-D562 PolarHBondContact O-N 3.19Å; Q488-D562 PolarHBondContact N-O 3.03Å; D562-V590 WeakPolarHBondContact OD1-CB 3.26Å; D562-V590 WeakPolarHBondContact OD1-CG1 3.38Å
563	E	89.4	Confident	89.1	Confident	9 Å²	9	23.4 Å²	23.4	4%	0.042	11%	0.105	C	C	.	.	S	Bend	trans	47.6	60.6	-175.1	-62.6	-62	153	0	0	114	T565 N566 V590 S591 H592	E563-T565 PolarHBondContact O-N 3.46Å; E563-N566 WeakPolarHBondContact CB-ND2 3.39Å; E563-N566 PolarHBondContact O-ND2 2.78Å; E563-V590 WeakPolarHBondContact CA-O 3.31Å; E563-V590 PolarHBondContact N-O 2.74Å; E563-S591 VanDerWaalsContact CD-CA 3.5Å; E563-S591 VanDerWaalsContact OE1-C 3.24Å; E563-S591 WeakPolarHBondContact OE1-CA 3.37Å; E563-S591 PolarHBondContact OE1-N 2.97Å; E563-S591 WeakPolarHBondContact OE2-CA 3.47Å; E563-H592 VanDerWaalsContact CD-CD2 3.4Å; E563-H592 IonicContact OE1-CD2 3.34Å; E563-H592 PolarHBondContact OE1-CD2 2.82Å; E563-H592 IonicContact OE1-CE1 2.88Å; E563-H592 PolarHBondContact OE1-CE1 3.3Å; E563-H592 IonicContact OE1-CG 3.87Å; E563-H592 VanDerWaalsContact OE1-CG 3.31Å; E563-H592 PolarHBondContact OE1-N 3.44Å; E563-H592 IonicContact OE1-ND1 2.69Å; E563-H592 IonicContact OE1-NE2 2.71Å; E563-H592 PolarHBondContact OE1-NE2 2.73Å; E563-H592 IonicContact OE2-CD2 2.65Å; E563-H592 IonicContact OE2-CG 2.66Å; E563-H592 PolarHBondContact OE2-N 3.44Å
564	P	89.8	Confident	88.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14	-174.9	31.2	-37.6	0	0	0	114.5	Y486 F548 L561 N566 L568 L576 L589 L596	Y486-P564 HydrophobicContact CD1-CB 4.21Å; Y486-P564 HydrophobicContact CE1-CB 4.34Å; F548-P564 HydrophobicContact CZ-CB 3.86Å; L561-P564 HydrophobicContact CB-CB 4.4Å; L561-P564 HydrophobicContact CB-CG 4.07Å; P564-N566 VanDerWaalsContact C-N 3.33Å; P564-L568 VanDerWaalsContact O-CD1 3.25Å; P564-L568 WeakPolarHBondContact O-CD1 3.24Å; P564-L576 HydrophobicContact CB-CD2 3.92Å; P564-L576 HydrophobicContact CG-CD2 4.23Å; P564-L589 HydrophobicContact CG-CD1 3.56Å; P564-L596 HydrophobicContact CG-CD2 4.02Å
565	T	86.5	Confident	88.8	Confident	17 Å²	17	20 Å²	20	10%	0.104	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.3	-176.6	51.9	0	0	0	0	113.3	E563 H567 L568 I573 D593 L596	E563-T565 PolarHBondContact O-N 3.46Å; T565-H567 PolarHBondContact O-N 3.05Å; T565-L568 WeakPolarHBondContact O-CB 3.43Å; T565-L568 PolarHBondContact O-N 3.42Å; T565-I573 HydrophobicContact CG2-CD1 4.26Å; T565-I573 HydrophobicContact CG2-CG1 4.15Å; T565-I573 HydrophobicContact CG2-CG2 4.24Å; T565-D593 HydrophobicContact CG2-CB 3.96Å; T565-L596 HydrophobicContact CG2-CB 4.38Å; T565-L596 HydrophobicContact CG2-CD2 3.44Å; T565-L596 VanDerWaalsContact CG2-CD2 3.44Å
566	N	83.5	Confident	88.7	Confident	22 Å²	22	14.2 Å²	14.2	12%	0.118	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.5	-179.4	-68.9	-38.1	0	0	0	110.9	Q488 E563 P564 L568	Q488-N566 PolarHBondContact NE2-ND2 2.99Å; Q488-N566 VanDerWaalsContact NE2-ND2 3.1Å; E563-N566 WeakPolarHBondContact CB-ND2 3.39Å; E563-N566 PolarHBondContact O-ND2 2.78Å; P564-N566 VanDerWaalsContact C-N 3.33Å; N566-L568 PolarHBondContact O-N 3.4Å
567	H	79.6	Confident	88.5	Confident	67 Å²	67	14.2 Å²	14.2	31%	0.31	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	6.8	-178.2	-42	-80.8	0	0	0	116.1	H491 D540 G541 T565	H491-H567 AromaticContact CE1-CD2 3.79Å; H491-H567 AromaticContact CE1-NE2 3.72Å; H491-H567 AromaticContact NE2-CD2 3.98Å; H491-H567 AromaticContact NE2-NE2 3.79Å; D540-H567 HydrophobicContact CB-CB 3.7Å; D540-H567 IonicContact OD2-CE1 3.33Å; D540-H567 IonicContact OD2-ND1 2.62Å; D540-H567 PolarHBondContact OD2-ND1 3.13Å; G541-H567 VanDerWaalsContact CA-O 3.23Å; G541-H567 WeakPolarHBondContact CA-O 3.47Å; T565-H567 PolarHBondContact O-N 3.05Å
568	L	82.8	Confident	88.3	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.094	C	C	.	.			trans	-89.4	141.6	171.5	-64.6	-172.9	0	0	0	110.4	F404 C544 F548 P564 T565 N566 I573 L576	F404-L568 HydrophobicContact CZ-CD1 4.36Å; F404-L568 HydrophobicContact CZ-CD2 4.33Å; C544-L568 HydrophobicContact CB-CD2 4.18Å; F548-L568 HydrophobicContact CE2-CD1 4.2Å; P564-L568 VanDerWaalsContact O-CD1 3.25Å; P564-L568 WeakPolarHBondContact O-CD1 3.24Å; T565-L568 WeakPolarHBondContact O-CB 3.43Å; T565-L568 PolarHBondContact O-N 3.42Å; N566-L568 PolarHBondContact O-N 3.4Å; L568-I573 HydrophobicContact CB-CG1 3.92Å; L568-L576 HydrophobicContact CD1-CD2 4.06Å
569	D	81.7	Confident	88.1	Confident	19 Å²	19	19 Å²	19	10%	0.102	10%	0.096	C	C	.	.			trans	-78.2	167.6	169.1	58.6	21.4	0	0	0	111.2	E571 S572 I573	D569-E571 VanDerWaalsContact C-N 3.27Å; D569-E571 PolarHBondContact O-N 3.38Å; D569-S572 WeakPolarHBondContact O-CB 3.49Å; D569-S572 PolarHBondContact O-N 3.09Å; D569-S572 WeakPolarHBondContact OD1-CA 3.36Å; D569-S572 WeakPolarHBondContact OD1-CB 3.5Å; D569-S572 PolarHBondContact OD1-N 3.43Å; D569-S572 PolarHBondContact OD1-OG 3.27Å; D569-I573 WeakPolarHBondContact O-CG1 3.4Å; D569-I573 PolarHBondContact O-N 3.32Å
570	M	82.6	Confident	88	Confident	11 Å²	11	19 Å²	19	5%	0.054	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-43.6	-176.7	-74.2	-83	-145.6	0	0	112.3	Q306 L309 Y331 S572 I573 D574	Q306-M570 HydrophobicContact CB-CE 3.81Å; Q306-M570 HydrophobicContact CB-SD 4.18Å; Q306-M570 VanDerWaalsContact N-CE 3.26Å; L309-M570 HydrophobicContact CD1-CE 3.79Å; Y331-M570 HydrophobicContact CD2-CE 4.36Å; Y331-M570 HydrophobicContact CE1-CE 4.33Å; Y331-M570 HydrophobicContact CE2-CE 3.89Å; M570-S572 VanDerWaalsContact C-N 3.33Å; M570-S572 PolarHBondContact O-N 3.35Å; M570-I573 PolarHBondContact O-N 2.9Å; M570-D574 PolarHBondContact O-N 2.98Å; M570-D574 VanDerWaalsContact O-N 3.07Å
571	E	81.3	Confident	87.9	Confident	74 Å²	74	23.1 Å²	23.1	35%	0.346	12%	0.117	S	C	.	.	H	α-helix	trans	-66.4	-36.4	179	-62.4	88	163.9	0	0	111.8	V401 D569 A575	V401-E571 HydrophobicContact CB-CB 4.49Å; V401-E571 HydrophobicContact CG1-CB 3.83Å; V401-E571 WeakPolarHBondContact CG1-O 3.13Å; V401-E571 HydrophobicContact CG2-CB 3.79Å; V401-E571 HydrophobicContact CG2-CG 4.1Å; D569-E571 VanDerWaalsContact C-N 3.27Å; D569-E571 PolarHBondContact O-N 3.38Å; E571-A575 WeakPolarHBondContact O-CB 3.33Å; E571-A575 PolarHBondContact O-N 3.35Å
572	S	83.7	Confident	87.8	Confident	2 Å²	2	29 Å²	29	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-68.5	-36.4	173.6	-61.1	0	0	0	0	112.4	F404 R545 D569 M570 A575 L576	F404-S572 WeakPolarHBondContact CE2-O 3.17Å; R545-S572 PolarHBondContact NH2-OG 2.91Å; D569-S572 WeakPolarHBondContact O-CB 3.49Å; D569-S572 PolarHBondContact O-N 3.09Å; D569-S572 WeakPolarHBondContact OD1-CA 3.36Å; D569-S572 WeakPolarHBondContact OD1-CB 3.5Å; D569-S572 PolarHBondContact OD1-N 3.43Å; D569-S572 PolarHBondContact OD1-OG 3.27Å; M570-S572 VanDerWaalsContact C-N 3.33Å; M570-S572 PolarHBondContact O-N 3.35Å; S572-A575 PolarHBondContact O-N 2.83Å; S572-L576 WeakPolarHBondContact O-CB 3.18Å; S572-L576 PolarHBondContact O-N 3.13Å
573	I	86.9	Confident	87.8	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-44	177	-65.6	166.4	0	0	0	109.8	T565 L568 D569 M570 L576 A577 L596	T565-I573 HydrophobicContact CG2-CD1 4.26Å; T565-I573 HydrophobicContact CG2-CG1 4.15Å; T565-I573 HydrophobicContact CG2-CG2 4.24Å; L568-I573 HydrophobicContact CB-CG1 3.92Å; D569-I573 WeakPolarHBondContact O-CG1 3.4Å; D569-I573 PolarHBondContact O-N 3.32Å; M570-I573 PolarHBondContact O-N 2.9Å; I573-L576 WeakPolarHBondContact O-CB 3.28Å; I573-L576 PolarHBondContact O-N 3.35Å; I573-A577 PolarHBondContact O-N 3.4Å; I573-L596 HydrophobicContact CG2-CB 4.23Å; I573-L596 HydrophobicContact CG2-CD1 4.39Å
574	D	87	Confident	88	Confident	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-44.7	175.6	-78.2	-32.5	0	0	0	111.7	M570 L576 A577 E578 R595 Q599	M570-D574 PolarHBondContact O-N 2.98Å; M570-D574 VanDerWaalsContact O-N 3.07Å; D574-L576 VanDerWaalsContact C-N 3.27Å; D574-L576 PolarHBondContact O-N 2.84Å; D574-A577 WeakPolarHBondContact O-CB 3.5Å; D574-A577 PolarHBondContact O-N 3.06Å; D574-E578 WeakPolarHBondContact O-CG 3.08Å; D574-E578 PolarHBondContact O-N 3.2Å; D574-R595 IonicContact OD1-CZ 3.29Å; D574-R595 IonicContact OD1-NE 2.84Å; D574-R595 IonicContact OD1-NH1 2.7Å; D574-R595 PolarHBondContact OD1-NH1 2.88Å; D574-R595 VanDerWaalsContact OD1-NH1 3.13Å; D574-R595 IonicContact OD1-NH2 2.84Å; D574-R595 PolarHBondContact OD1-NH2 3.19Å; D574-R595 IonicContact OD2-CZ 3.97Å; D574-R595 VanDerWaalsContact OD2-CZ 3.29Å; D574-R595 IonicContact OD2-NH1 2.72Å; D574-R595 PolarHBondContact OD2-NH1 3.34Å; D574-R595 IonicContact OD2-NH2 2.95Å; D574-R595 PolarHBondContact OD2-NH2 2.97Å; D574-Q599 PolarHBondContact OD1-NE2 3.26Å
575	A	88.2	Confident	88.1	Confident	6 Å²	6	34.7 Å²	34.7	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-31.4	175.7	0	0	0	0	0	112.9	V401 F404 E571 S572 A579	V401-A575 HydrophobicContact CG1-CB 4.09Å; F404-A575 HydrophobicContact CD2-CB 3.73Å; F404-A575 HydrophobicContact CE2-CB 4.12Å; E571-A575 WeakPolarHBondContact O-CB 3.33Å; E571-A575 PolarHBondContact O-N 3.35Å; S572-A575 PolarHBondContact O-N 2.83Å; A575-A579 WeakPolarHBondContact O-CB 3.32Å; A575-A579 PolarHBondContact O-N 3.33Å
576	L	91.1	Very high	88.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.3	-41.7	173.7	176.5	64.6	0	0	0	110.7	F404 F406 F548 P564 L568 S572 I573 D574 A579 I580	F404-L576 HydrophobicContact CD1-CD1 4.21Å; F404-L576 HydrophobicContact CD2-CB 4.08Å; F404-L576 HydrophobicContact CE2-CB 4.28Å; F404-L576 HydrophobicContact CG-CB 4.35Å; F404-L576 HydrophobicContact CG-CD1 4.31Å; F406-L576 HydrophobicContact CE2-CD1 4.21Å; F406-L576 HydrophobicContact CZ-CD1 4.23Å; F548-L576 HydrophobicContact CD1-CD1 4.37Å; F548-L576 HydrophobicContact CE1-CD1 3.77Å; F548-L576 HydrophobicContact CZ-CD1 3.95Å; F548-L576 HydrophobicContact CZ-CD2 3.97Å; P564-L576 HydrophobicContact CB-CD2 3.92Å; P564-L576 HydrophobicContact CG-CD2 4.23Å; L568-L576 HydrophobicContact CD1-CD2 4.06Å; S572-L576 WeakPolarHBondContact O-CB 3.18Å; S572-L576 PolarHBondContact O-N 3.13Å; I573-L576 WeakPolarHBondContact O-CB 3.28Å; I573-L576 PolarHBondContact O-N 3.35Å; D574-L576 VanDerWaalsContact C-N 3.27Å; D574-L576 PolarHBondContact O-N 2.84Å; L576-A579 PolarHBondContact O-N 3.37Å; L576-I580 HydrophobicContact CD1-CD1 4Å; L576-I580 HydrophobicContact CD1-CG1 4.22Å; L576-I580 HydrophobicContact CD2-CD1 4.45Å; L576-I580 HydrophobicContact CG-CD1 3.82Å; L576-I580 HydrophobicContact CG-CG1 4.45Å; L576-I580 VanDerWaalsContact O-CG1 3.28Å; L576-I580 WeakPolarHBondContact O-CG1 3.31Å; L576-I580 PolarHBondContact O-N 3.31Å
577	A	91.8	Very high	89.1	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-45.6	177.6	0	0	0	0	0	111.6	I573 D574 A579 I580 N581 L596 Q599 V600	I573-A577 PolarHBondContact O-N 3.4Å; D574-A577 WeakPolarHBondContact O-CB 3.5Å; D574-A577 PolarHBondContact O-N 3.06Å; A577-A579 PolarHBondContact O-N 3.33Å; A577-I580 PolarHBondContact O-N 3.23Å; A577-N581 WeakPolarHBondContact O-CB 3.45Å; A577-N581 PolarHBondContact O-N 3.38Å; A577-N581 PolarHBondContact O-ND2 3.05Å; A577-L596 HydrophobicContact CB-CD1 3.72Å; A577-Q599 HydrophobicContact CB-CB 4.24Å; A577-V600 HydrophobicContact CB-CG1 3.91Å
578	E	92	Very high	89.9	Confident	114 Å²	114	29.6 Å²	29.6	53%	0.533	15%	0.15	S	C	.	.	H	α-helix	trans	-56.1	-49.1	172.9	-72	177.6	-179.2	0	0	111.3	D574 I580 N581 D582	D574-E578 WeakPolarHBondContact O-CG 3.08Å; D574-E578 PolarHBondContact O-N 3.2Å; E578-I580 VanDerWaalsContact C-N 3.32Å; E578-I580 PolarHBondContact O-N 3.35Å; E578-N581 PolarHBondContact O-N 3.18Å; E578-N581 VanDerWaalsContact O-N 3.11Å; E578-D582 PolarHBondContact O-N 3.46Å
579	A	92.2	Very high	90.6	Very high	5 Å²	5	29.6 Å²	29.6	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-34.5	-179.5	0	0	0	0	0	113.8	F404 F406 A575 L576 A577 F583	F404-A579 VanDerWaalsContact C-CB 3.47Å; F404-A579 HydrophobicContact CB-CB 3.49Å; F404-A579 VanDerWaalsContact CB-CB 3.49Å; F404-A579 WeakPolarHBondContact O-CB 3.47Å; F406-A579 HydrophobicContact CD2-CB 4.14Å; F406-A579 HydrophobicContact CE2-CB 4.15Å; A575-A579 WeakPolarHBondContact O-CB 3.32Å; A575-A579 PolarHBondContact O-N 3.33Å; L576-A579 PolarHBondContact O-N 3.37Å; A577-A579 PolarHBondContact O-N 3.33Å; A579-F583 WeakPolarHBondContact O-CB 3.46Å; A579-F583 PolarHBondContact O-N 3.43Å
580	I	93.8	Very high	91.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.8	-35	175.5	-68.1	166.8	0	0	0	110.9	F406 L561 L576 A577 E578 F583 M587 V600	F406-I580 HydrophobicContact CE2-CG1 3.97Å; L561-I580 HydrophobicContact CD1-CD1 3.48Å; L561-I580 VanDerWaalsContact CD1-CD1 3.48Å; L561-I580 HydrophobicContact CD1-CG1 4.08Å; L576-I580 HydrophobicContact CD1-CD1 4Å; L576-I580 HydrophobicContact CD1-CG1 4.22Å; L576-I580 HydrophobicContact CD2-CD1 4.45Å; L576-I580 HydrophobicContact CG-CD1 3.82Å; L576-I580 HydrophobicContact CG-CG1 4.45Å; L576-I580 VanDerWaalsContact O-CG1 3.28Å; L576-I580 WeakPolarHBondContact O-CG1 3.31Å; L576-I580 PolarHBondContact O-N 3.31Å; A577-I580 PolarHBondContact O-N 3.23Å; E578-I580 VanDerWaalsContact C-N 3.32Å; E578-I580 PolarHBondContact O-N 3.35Å; I580-F583 WeakPolarHBondContact O-CB 3.33Å; I580-F583 PolarHBondContact O-N 3.24Å; I580-M587 HydrophobicContact CG2-CE 3.43Å; I580-M587 VanDerWaalsContact CG2-CE 3.43Å; I580-M587 HydrophobicContact CG2-CG 4.15Å; I580-M587 HydrophobicContact CG2-SD 4.48Å; I580-V600 HydrophobicContact CB-CG1 4.1Å; I580-V600 HydrophobicContact CD1-CG1 4.49Å; I580-V600 HydrophobicContact CG2-CB 3.87Å; I580-V600 HydrophobicContact CG2-CG1 4.03Å; I580-V600 HydrophobicContact CG2-CG2 4.39Å
581	N	93.9	Very high	91.4	Very high	85 Å²	85	28.3 Å²	28.3	46%	0.455	14%	0.143	S	C	.	.	H	α-helix	trans	-70	-36.6	177.3	-78	-25.5	0	0	0	112.3	A577 E578 F583 Q599	A577-N581 WeakPolarHBondContact O-CB 3.45Å; A577-N581 PolarHBondContact O-N 3.38Å; A577-N581 PolarHBondContact O-ND2 3.05Å; E578-N581 PolarHBondContact O-N 3.18Å; E578-N581 VanDerWaalsContact O-N 3.11Å; N581-F583 VanDerWaalsContact C-N 3.31Å; N581-Q599 PolarHBondContact ND2-O 3.06Å; N581-Q599 VanDerWaalsContact ND2-O 3.13Å; N581-Q599 PolarHBondContact OD1-O 2.66Å
582	D	92.9	Very high	91.6	Very high	123 Å²	123	26.4 Å²	26.4	66%	0.658	13%	0.134	S	C	*	.	H	α-helix	trans	-76.5	-16.4	174.8	-70.9	-12.8	0	0	0	113.2	E578 E584	E578-D582 PolarHBondContact O-N 3.46Å; D582-E584 PolarHBondContact O-N 3Å
583	F	94.1	Very high	91.8	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.013	14%	0.136	C	C	.	.			trans	-70.9	127.1	179	174.5	-118.2	0	0	0	111	F406 P409 R446 P556 L559 A579 I580 N581 G585	F406-F583 HydrophobicContact CB-CB 4.11Å; F406-F583 HydrophobicContact CB-CD2 3.49Å; F406-F583 VanDerWaalsContact CB-CD2 3.49Å; F406-F583 HydrophobicContact CB-CE2 4.18Å; F406-F583 HydrophobicContact CB-CG 4.01Å; F406-F583 HydrophobicContact CD2-CB 4.35Å; F406-F583 HydrophobicContact CG-CD2 4.4Å; P409-F583 HydrophobicContact CG-CE2 4.1Å; P409-F583 HydrophobicContact CG-CZ 4.43Å; R446-F583 PolarHBondContact NH2-O 2.96Å; P556-F583 WeakPolarHBondContact O-CE2 3.48Å; P556-F583 WeakPolarHBondContact O-CZ 3.39Å; L559-F583 HydrophobicContact CB-CE1 4.11Å; L559-F583 HydrophobicContact CD1-CD1 3.54Å; L559-F583 HydrophobicContact CD1-CD2 4.34Å; L559-F583 HydrophobicContact CD1-CE1 3.49Å; L559-F583 VanDerWaalsContact CD1-CE1 3.49Å; L559-F583 HydrophobicContact CD1-CE2 4.31Å; L559-F583 HydrophobicContact CD1-CG 3.97Å; L559-F583 HydrophobicContact CD1-CZ 3.9Å; L559-F583 HydrophobicContact CG-CD1 4.15Å; L559-F583 HydrophobicContact CG-CE1 3.55Å; L559-F583 HydrophobicContact CG-CE2 4.49Å; L559-F583 HydrophobicContact CG-CZ 3.75Å; A579-F583 WeakPolarHBondContact O-CB 3.46Å; A579-F583 PolarHBondContact O-N 3.43Å; I580-F583 WeakPolarHBondContact O-CB 3.33Å; I580-F583 PolarHBondContact O-N 3.24Å; N581-F583 VanDerWaalsContact C-N 3.31Å; F583-G585 WeakPolarHBondContact CD1-O 3.38Å; F583-G585 VanDerWaalsContact CE1-O 3.23Å; F583-G585 WeakPolarHBondContact CE1-O 3.45Å
584	E	92.1	Very high	91.9	Very high	134 Å²	134	26.9 Å²	26.9	63%	0.626	14%	0.136	S	C	*	.			trans	-89.6	-3.5	-176.3	-62.8	-168.8	164.8	0	0	114.7	D582	D582-E584 PolarHBondContact O-N 3Å
585	G	93.5	Very high	91.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-90.6	174.3	175	0	0	0	0	0	113.4	L443 R446 H557 F583	L443-G585 CarbonylContact O-C 3.36Å; L443-G585 VanDerWaalsContact O-O 3.09Å; R446-G585 PolarHBondContact NH1-O 3.41Å; R446-G585 PolarHBondContact NH2-O 2.87Å; H557-G585 CarbonylContact O-C 3.14Å; H557-G585 WeakPolarHBondContact O-CA 3.32Å; F583-G585 WeakPolarHBondContact CD1-O 3.38Å; F583-G585 VanDerWaalsContact CE1-O 3.23Å; F583-G585 WeakPolarHBondContact CE1-O 3.45Å
586	G	95	Very high	92.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	152	-178.9	0	0	0	0	0	112.4	D442 L443 T445 H557 I558 L559	D442-G586 WeakPolarHBondContact O-CA 3.42Å; L443-G586 VanDerWaalsContact O-CA 3.25Å; L443-G586 WeakPolarHBondContact O-CA 3.46Å; L443-G586 PolarHBondContact O-N 3.41Å; T445-G586 CarbonylContact O-C 3.49Å; T445-G586 WeakPolarHBondContact O-CA 3.19Å; H557-G586 PolarHBondContact O-N 3.43Å; I558-G586 CarbonylContact C-O 3.01Å; I558-G586 VanDerWaalsContact CA-O 3.23Å; I558-G586 WeakPolarHBondContact CA-O 3.27Å; L559-G586 PolarHBondContact N-O 3.35Å
587	M	95.3	Very high	92.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.9	-178	174.2	-85.5	-74.4	0	0	112.3	T445 R446 I447 L559 I580 L589 V600	T445-M587 PolarHBondContact O-N 2.95Å; R446-M587 HydrophobicContact CB-CE 4.42Å; I447-M587 PolarHBondContact N-O 3.3Å; L559-M587 HydrophobicContact CB-CB 4.41Å; L559-M587 HydrophobicContact CB-CG 4.41Å; L559-M587 CarbonylContact O-C 3.47Å; L559-M587 VanDerWaalsContact O-CA 3.32Å; L559-M587 WeakPolarHBondContact O-CA 3.43Å; I580-M587 HydrophobicContact CG2-CE 3.43Å; I580-M587 VanDerWaalsContact CG2-CE 3.43Å; I580-M587 HydrophobicContact CG2-CG 4.15Å; I580-M587 HydrophobicContact CG2-SD 4.48Å; M587-L589 HydrophobicContact SD-CB 3.57Å; M587-L589 VanDerWaalsContact SD-CB 3.57Å; M587-V600 HydrophobicContact CE-CB 3.85Å; M587-V600 HydrophobicContact CE-CG2 3.62Å
588	L	96.7	Very high	92.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121	165.5	-61.8	-173.3	0	0	0	108.7	I441 I447 L449 F460 L461 I464 L559 L560 L561	I441-L588 HydrophobicContact CD1-CD1 3.8Å; I447-L588 HydrophobicContact CB-CD2 3.68Å; I447-L588 HydrophobicContact CD1-CD2 3.74Å; I447-L588 HydrophobicContact CG1-CD2 4.27Å; I447-L588 HydrophobicContact CG2-CD2 4.24Å; I447-L588 WeakPolarHBondContact O-CA 3.37Å; L449-L588 HydrophobicContact CD1-CD1 4.46Å; F460-L588 HydrophobicContact CD1-CD1 4.45Å; F460-L588 HydrophobicContact CE1-CD1 3.88Å; L461-L588 HydrophobicContact CD2-CB 4.01Å; L461-L588 HydrophobicContact CD2-CD1 4.04Å; I464-L588 HydrophobicContact CG1-CD1 4.37Å; L559-L588 PolarHBondContact O-N 3.5Å; L560-L588 HydrophobicContact CD2-CB 3.76Å; L560-L588 HydrophobicContact CD2-CD1 3.66Å; L560-L588 HydrophobicContact CD2-CG 3.84Å; L561-L588 PolarHBondContact N-O 2.63Å
589	L	95.9	Very high	92.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.2	178.5	176.1	67.2	0	0	0	110.1	I447 A448 L449 L561 P564 M587 L596 V597 V600	I447-L589 PolarHBondContact O-N 2.91Å; A448-L589 CarbonylContact C-O 3.52Å; A448-L589 WeakPolarHBondContact CA-O 3.38Å; L449-L589 PolarHBondContact N-O 3.48Å; L561-L589 HydrophobicContact CB-CD1 3.79Å; L561-L589 HydrophobicContact CD1-CD1 4.36Å; L561-L589 CarbonylContact O-C 3.59Å; P564-L589 HydrophobicContact CG-CD1 3.56Å; M587-L589 HydrophobicContact SD-CB 3.57Å; M587-L589 VanDerWaalsContact SD-CB 3.57Å; L589-L596 HydrophobicContact CD1-CD2 4.19Å; L589-L596 HydrophobicContact CD2-CD2 4.07Å; L589-L596 HydrophobicContact CD2-CG 4Å; L589-V597 HydrophobicContact CD2-CG2 4Å; L589-V600 HydrophobicContact CD2-CG2 3.55Å
590	V	93.3	Very high	92.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.9	159.7	178.8	0	0	0	0	105.6	L449 K457 L461 L561 D562 E563	L449-V590 HydrophobicContact CB-CG2 3.78Å; L449-V590 HydrophobicContact CD1-CG2 4.22Å; K457-V590 HydrophobicContact CB-CG1 4.34Å; K457-V590 HydrophobicContact CB-CG2 4.14Å; K457-V590 HydrophobicContact CD-CG1 4.04Å; L461-V590 HydrophobicContact CD1-CG2 3.85Å; L461-V590 HydrophobicContact CG-CG2 4.38Å; L561-V590 PolarHBondContact O-N 3.2Å; D562-V590 WeakPolarHBondContact OD1-CB 3.26Å; D562-V590 WeakPolarHBondContact OD1-CG1 3.38Å; E563-V590 WeakPolarHBondContact CA-O 3.31Å; E563-V590 PolarHBondContact N-O 2.74Å
591	S	89.7	Confident	92.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.15	C	C	.	.			trans	-149.6	143.7	175.9	-173.8	0	0	0	0	111.2	E563 D593	E563-S591 VanDerWaalsContact CD-CA 3.5Å; E563-S591 VanDerWaalsContact OE1-C 3.24Å; E563-S591 WeakPolarHBondContact OE1-CA 3.37Å; E563-S591 PolarHBondContact OE1-N 2.97Å; E563-S591 WeakPolarHBondContact OE2-CA 3.47Å; S591-D593 VanDerWaalsContact C-N 3.33Å; S591-D593 PolarHBondContact OG-N 2.79Å; S591-D593 VanDerWaalsContact OG-N 3.1Å
592	H	84.9	Confident	92.3	Very high	34 Å²	34	32.7 Å²	32.7	16%	0.157	16%	0.163	C	C	.	.	S	Bend	trans	-87.7	-0.7	168.7	-62	-40.8	0	0	0	113.4	L280 L282 E563	L280-H592 PolarHBondContact O-CD2 3.38Å; L280-H592 VanDerWaalsContact O-CG 3.31Å; L280-H592 PolarHBondContact O-NE2 2.94Å; L282-H592 HydrophobicContact CD2-CB 4.33Å; L282-H592 WeakPolarHBondContact CD2-O 3.49Å; E563-H592 VanDerWaalsContact CD-CD2 3.4Å; E563-H592 IonicContact OE1-CD2 3.34Å; E563-H592 PolarHBondContact OE1-CD2 2.82Å; E563-H592 IonicContact OE1-CE1 2.88Å; E563-H592 PolarHBondContact OE1-CE1 3.3Å; E563-H592 IonicContact OE1-CG 3.87Å; E563-H592 VanDerWaalsContact OE1-CG 3.31Å; E563-H592 PolarHBondContact OE1-N 3.44Å; E563-H592 IonicContact OE1-ND1 2.69Å; E563-H592 IonicContact OE1-NE2 2.71Å; E563-H592 PolarHBondContact OE1-NE2 2.73Å; E563-H592 IonicContact OE2-CD2 2.65Å; E563-H592 IonicContact OE2-CG 2.66Å; E563-H592 PolarHBondContact OE2-N 3.44Å
593	D	88.5	Confident	92.4	Very high	10 Å²	10	30 Å²	30	5%	0.053	15%	0.146	C	C	.	.			trans	-89.4	106.6	176.3	-168.4	-29.1	0	0	0	111.5	T565 S591 R595 L596 V597	T565-D593 HydrophobicContact CG2-CB 3.96Å; S591-D593 VanDerWaalsContact C-N 3.33Å; S591-D593 PolarHBondContact OG-N 2.79Å; S591-D593 VanDerWaalsContact OG-N 3.1Å; D593-R595 PolarHBondContact O-N 3.03Å; D593-R595 WeakPolarHBondContact OD1-CB 3.48Å; D593-R595 PolarHBondContact OD1-N 2.7Å; D593-L596 HydrophobicContact CB-CB 4.11Å; D593-L596 PolarHBondContact O-N 3.34Å; D593-L596 PolarHBondContact OD1-N 3.44Å; D593-V597 WeakPolarHBondContact O-CG2 3.31Å; D593-V597 PolarHBondContact O-N 2.94Å; D593-V597 VanDerWaalsContact O-N 3.08Å
594	F	88.6	Confident	92.4	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.022	15%	0.148	C	C	.	.	H	α-helix	trans	-55.3	-35.9	177.2	-71.2	-88.7	0	0	0	113.1	L282 V286 D307 S598 I619 F620 K623	L282-F594 HydrophobicContact CB-CZ 4.36Å; L282-F594 HydrophobicContact CD2-CD2 4.07Å; L282-F594 HydrophobicContact CD2-CE1 3.98Å; L282-F594 HydrophobicContact CD2-CE2 3.54Å; L282-F594 HydrophobicContact CD2-CZ 3.47Å; L282-F594 VanDerWaalsContact CD2-CZ 3.47Å; L282-F594 HydrophobicContact CG-CZ 4.46Å; V286-F594 HydrophobicContact CG2-CE2 4.07Å; V286-F594 HydrophobicContact CG2-CZ 3.63Å; D307-F594 HydrophobicContact CB-CB 4.18Å; D307-F594 WeakPolarHBondContact OD2-CD2 3.31Å; D307-F594 WeakPolarHBondContact OD2-CG 3.43Å; F594-S598 VanDerWaalsContact O-CB 3.28Å; F594-S598 WeakPolarHBondContact O-CB 3.28Å; F594-S598 PolarHBondContact O-N 3.1Å; F594-I619 HydrophobicContact CD1-CD1 4.48Å; F594-I619 HydrophobicContact CD1-CG1 3.66Å; F594-I619 HydrophobicContact CE1-CG1 4.19Å; F594-I619 WeakPolarHBondContact O-CG2 3.49Å; F594-F620 HydrophobicContact CB-CE1 4.45Å; F594-K623 HydrophobicContact CD1-CB 4.01Å; F594-K623 HydrophobicContact CD1-CD 4.01Å; F594-K623 HydrophobicContact CD1-CG 4.28Å; F594-K623 HydrophobicContact CD2-CD 4.46Å; F594-K623 HydrophobicContact CE1-CB 3.5Å; F594-K623 VanDerWaalsContact CE1-CB 3.5Å; F594-K623 HydrophobicContact CE1-CD 3.9Å; F594-K623 HydrophobicContact CE1-CG 3.71Å; F594-K623 HydrophobicContact CE2-CD 4.3Å; F594-K623 HydrophobicContact CG-CD 4.34Å; F594-K623 HydrophobicContact CZ-CB 4.15Å; F594-K623 HydrophobicContact CZ-CD 4.03Å; F594-K623 HydrophobicContact CZ-CG 3.86Å
595	R	87.4	Confident	92.6	Very high	54 Å²	54	25 Å²	25	20%	0.204	12%	0.122	C	C	.	.	H	α-helix	trans	-72.1	-49.9	-177.2	-176.2	179.6	179.6	-149.6	-1	110.6	Q306 D574 D593 V597 S598 Q599	Q306-R595 VanDerWaalsContact OE1-CD 3.22Å; D574-R595 IonicContact OD1-CZ 3.29Å; D574-R595 IonicContact OD1-NE 2.84Å; D574-R595 IonicContact OD1-NH1 2.7Å; D574-R595 PolarHBondContact OD1-NH1 2.88Å; D574-R595 VanDerWaalsContact OD1-NH1 3.13Å; D574-R595 IonicContact OD1-NH2 2.84Å; D574-R595 PolarHBondContact OD1-NH2 3.19Å; D574-R595 IonicContact OD2-CZ 3.97Å; D574-R595 VanDerWaalsContact OD2-CZ 3.29Å; D574-R595 IonicContact OD2-NH1 2.72Å; D574-R595 PolarHBondContact OD2-NH1 3.34Å; D574-R595 IonicContact OD2-NH2 2.95Å; D574-R595 PolarHBondContact OD2-NH2 2.97Å; D593-R595 PolarHBondContact O-N 3.03Å; D593-R595 WeakPolarHBondContact OD1-CB 3.48Å; D593-R595 PolarHBondContact OD1-N 2.7Å; R595-V597 VanDerWaalsContact C-N 3.31Å; R595-V597 PolarHBondContact O-N 2.9Å; R595-S598 PolarHBondContact O-N 3.07Å; R595-Q599 WeakPolarHBondContact O-CG 3.24Å; R595-Q599 PolarHBondContact O-N 2.88Å
596	L	91.2	Very high	92.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-49.1	177.4	179.1	64.6	0	0	0	110	P564 T565 I573 A577 L589 D593 S598 Q599 V600	P564-L596 HydrophobicContact CG-CD2 4.02Å; T565-L596 HydrophobicContact CG2-CB 4.38Å; T565-L596 HydrophobicContact CG2-CD2 3.44Å; T565-L596 VanDerWaalsContact CG2-CD2 3.44Å; I573-L596 HydrophobicContact CG2-CB 4.23Å; I573-L596 HydrophobicContact CG2-CD1 4.39Å; A577-L596 HydrophobicContact CB-CD1 3.72Å; L589-L596 HydrophobicContact CD1-CD2 4.19Å; L589-L596 HydrophobicContact CD2-CD2 4.07Å; L589-L596 HydrophobicContact CD2-CG 4Å; D593-L596 HydrophobicContact CB-CB 4.11Å; D593-L596 PolarHBondContact O-N 3.34Å; D593-L596 PolarHBondContact OD1-N 3.44Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 3.15Å; L596-Q599 PolarHBondContact O-N 2.91Å; L596-Q599 VanDerWaalsContact O-N 3.12Å; L596-V600 HydrophobicContact CD1-CG1 4.02Å; L596-V600 WeakPolarHBondContact O-CG2 3.48Å; L596-V600 PolarHBondContact O-N 3.12Å; L596-V600 VanDerWaalsContact O-N 3.16Å
597	V	93	Very high	92.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-46.4	178	171.8	0	0	0	0	111.4	A448 L589 D593 R595 Q599 V600 A601 I619	A448-V597 HydrophobicContact CB-CB 4.37Å; A448-V597 HydrophobicContact CB-CG1 3.46Å; A448-V597 VanDerWaalsContact CB-CG1 3.46Å; A448-V597 HydrophobicContact CB-CG2 4.13Å; L589-V597 HydrophobicContact CD2-CG2 4Å; D593-V597 WeakPolarHBondContact O-CG2 3.31Å; D593-V597 PolarHBondContact O-N 2.94Å; D593-V597 VanDerWaalsContact O-N 3.08Å; R595-V597 VanDerWaalsContact C-N 3.31Å; R595-V597 PolarHBondContact O-N 2.9Å; V597-Q599 VanDerWaalsContact C-N 3.25Å; V597-Q599 PolarHBondContact O-N 3.29Å; V597-V600 PolarHBondContact O-N 3.49Å; V597-A601 HydrophobicContact CG1-CB 4.12Å; V597-A601 WeakPolarHBondContact O-CB 3.48Å; V597-A601 PolarHBondContact O-N 3.3Å; V597-I619 HydrophobicContact CB-CG1 4.21Å; V597-I619 HydrophobicContact CG1-CB 3.91Å; V597-I619 HydrophobicContact CG1-CD1 3.86Å; V597-I619 HydrophobicContact CG1-CG1 3.73Å; V597-I619 HydrophobicContact CG1-CG2 4.37Å
598	S	92.8	Very high	92.1	Very high	55 Å²	55	29.5 Å²	29.5	39%	0.385	15%	0.146	S	C	.	.	H	α-helix	trans	-62.5	-31.1	178.8	-175.2	0	0	0	0	113.5	F594 R595 L596 F620	F594-S598 VanDerWaalsContact O-CB 3.28Å; F594-S598 WeakPolarHBondContact O-CB 3.28Å; F594-S598 PolarHBondContact O-N 3.1Å; R595-S598 PolarHBondContact O-N 3.07Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 3.15Å; S598-F620 WeakPolarHBondContact OG-CE2 3.4Å
599	Q	91.9	Very high	91.6	Very high	69 Å²	69	37.5 Å²	37.5	32%	0.322	18%	0.181	S	C	.	.	H	α-helix	trans	-81.6	-29.8	-176.6	-75.6	173	-18.7	0	0	113.1	D574 A577 N581 R595 L596 V597	D574-Q599 PolarHBondContact OD1-NE2 3.26Å; A577-Q599 HydrophobicContact CB-CB 4.24Å; N581-Q599 PolarHBondContact ND2-O 3.06Å; N581-Q599 VanDerWaalsContact ND2-O 3.13Å; N581-Q599 PolarHBondContact OD1-O 2.66Å; R595-Q599 WeakPolarHBondContact O-CG 3.24Å; R595-Q599 PolarHBondContact O-N 2.88Å; L596-Q599 PolarHBondContact O-N 2.91Å; L596-Q599 VanDerWaalsContact O-N 3.12Å; V597-Q599 VanDerWaalsContact C-N 3.25Å; V597-Q599 PolarHBondContact O-N 3.29Å
600	V	93.7	Very high	91.4	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-116.6	-24.9	-169.2	-51.4	0	0	0	0	114.7	A577 I580 M587 L589 L596 V597	A577-V600 HydrophobicContact CB-CG1 3.91Å; I580-V600 HydrophobicContact CB-CG1 4.1Å; I580-V600 HydrophobicContact CD1-CG1 4.49Å; I580-V600 HydrophobicContact CG2-CB 3.87Å; I580-V600 HydrophobicContact CG2-CG1 4.03Å; I580-V600 HydrophobicContact CG2-CG2 4.39Å; M587-V600 HydrophobicContact CE-CB 3.85Å; M587-V600 HydrophobicContact CE-CG2 3.62Å; L589-V600 HydrophobicContact CD2-CG2 3.55Å; L596-V600 HydrophobicContact CD1-CG1 4.02Å; L596-V600 WeakPolarHBondContact O-CG2 3.48Å; L596-V600 PolarHBondContact O-N 3.12Å; L596-V600 VanDerWaalsContact O-N 3.16Å; V597-V600 PolarHBondContact O-N 3.49Å
601	A	94.1	Very high	91.3	Very high	22 Å²	22	43.1 Å²	43.1	18%	0.182	21%	0.212	C	C	.	.			trans	-88.8	133.2	-175.7	0	0	0	0	0	111.3	A448 V597	A448-A601 HydrophobicContact CB-CB 3.56Å; V597-A601 HydrophobicContact CG1-CB 4.12Å; V597-A601 WeakPolarHBondContact O-CB 3.48Å; V597-A601 PolarHBondContact O-N 3.3Å
602	K	93.8	Very high	91.5	Very high	166 Å²	166	43.5 Å²	43.5	72%	0.722	21%	0.214	S	C	*	.	S	Bend	trans	-91.9	-31.1	170.2	-66.8	-179.9	179.8	175.3	0	111.6	R446	R446-K602 HydrophobicContact CB-CB 4.03Å; R446-K602 HydrophobicContact CB-CD 4.09Å; R446-K602 HydrophobicContact CB-CG 3.85Å; R446-K602 HydrophobicContact CG-CD 4.13Å; R446-K602 HydrophobicContact CG-CG 4.3Å; R446-K602 PolarHBondContact O-N 2.68Å
603	E	94.6	Very high	91.9	Very high	66 Å²	66	44.6 Å²	44.6	31%	0.308	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.2	177.2	-57	-162.5	171	0	0	111	R446 I447 A448 W605 K614	R446-E603 PolarHBondContact O-N 2.91Å; I447-E603 CarbonylContact C-O 3.56Å; I447-E603 WeakPolarHBondContact CA-O 3.28Å; I447-E603 HydrophobicContact CG1-CB 4.18Å; A448-E603 PolarHBondContact N-O 2.95Å; E603-W605 PolarHBondContact OE2-NE1 2.92Å; E603-K614 IonicContact OE1-NZ 2.96Å; E603-K614 PolarHBondContact OE1-NZ 2.9Å; E603-K614 WeakPolarHBondContact OE2-CE 3.37Å; E603-K614 IonicContact OE2-NZ 2.77Å; E603-K614 PolarHBondContact OE2-NZ 3.41Å
604	I	95.1	Very high	92.1	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.051	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.8	175.7	-61.6	167.8	0	0	0	107.6	A448 V450 W615 I619	A448-I604 CarbonylContact O-C 3.57Å; A448-I604 WeakPolarHBondContact O-CA 3.43Å; V450-I604 HydrophobicContact CB-CG2 4.47Å; V450-I604 HydrophobicContact CG1-CG2 4.12Å; V450-I604 HydrophobicContact CG2-CG2 3.5Å; V450-I604 VanDerWaalsContact CG2-CG2 3.5Å; I604-W615 HydrophobicContact CB-CB 4.06Å; I604-W615 HydrophobicContact CG2-CB 3.98Å; I604-W615 PolarHBondContact O-N 3.49Å; I604-I619 HydrophobicContact CD1-CB 3.61Å; I604-I619 HydrophobicContact CD1-CD1 3.97Å; I604-I619 HydrophobicContact CD1-CG1 4.37Å; I604-I619 HydrophobicContact CG2-CD1 4.4Å
605	W	95.3	Very high	92.4	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.091	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.5	-178.4	-77.3	19.1	0	0	0	108.7	Y437 C439 I447 A448 L449 V450 F460 E603 I612 S613	Y437-W605 WeakPolarHBondContact OH-CZ3 3.42Å; C439-W605 HydrophobicContact CB-CH2 3.63Å; C439-W605 HydrophobicContact CB-CZ3 4Å; I447-W605 HydrophobicContact CD1-CD2 3.83Å; I447-W605 HydrophobicContact CD1-CE3 3.98Å; I447-W605 HydrophobicContact CD1-CH2 3.35Å; I447-W605 HydrophobicContact CD1-CZ2 3.18Å; I447-W605 HydrophobicContact CD1-CZ3 3.76Å; I447-W605 HydrophobicContact CG1-CD2 4.26Å; I447-W605 HydrophobicContact CG1-CZ2 4.1Å; I447-W605 HydrophobicContact CG2-CB 3.71Å; I447-W605 HydrophobicContact CG2-CD2 3.55Å; I447-W605 HydrophobicContact CG2-CE3 3.99Å; I447-W605 HydrophobicContact CG2-CG 3.41Å; I447-W605 VanDerWaalsContact CG2-CG 3.41Å; A448-W605 PolarHBondContact O-N 3.01Å; L449-W605 WeakPolarHBondContact CA-O 3.39Å; L449-W605 HydrophobicContact CD2-CB 3.8Å; L449-W605 HydrophobicContact CD2-CE3 4.19Å; V450-W605 PolarHBondContact N-O 3.38Å; F460-W605 HydrophobicContact CE1-CZ3 4.49Å; F460-W605 HydrophobicContact CZ-CZ3 4.31Å; E603-W605 PolarHBondContact OE2-NE1 2.92Å; W605-I612 HydrophobicContact CB-CG2 3.65Å; W605-I612 HydrophobicContact CD2-CG2 4.18Å; W605-I612 HydrophobicContact CE3-CG2 3.81Å; W605-I612 HydrophobicContact CG-CG2 4.18Å; W605-S613 CarbonylContact C-O 3.5Å; W605-S613 WeakPolarHBondContact CA-O 3.49Å
606	L	93.5	Very high	92.7	Very high	31 Å²	31	55.5 Å²	55.5	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112	177.3	179.3	66.3	0	0	0	109.7	V450 D608 I612 S613 Y622	V450-L606 HydrophobicContact CG2-CB 4.5Å; V450-L606 HydrophobicContact CG2-CD1 4.19Å; V450-L606 CarbonylContact O-C 3.58Å; V450-L606 WeakPolarHBondContact O-CA 3.43Å; L606-D608 HydrophobicContact CG-CB 4.3Å; L606-I612 WeakPolarHBondContact O-CA 3.43Å; L606-S613 PolarHBondContact N-O 3.13Å; L606-S613 PolarHBondContact O-N 3.38Å; L606-Y622 HydrophobicContact CD1-CE2 4.02Å; L606-Y622 WeakPolarHBondContact CD1-OH 3.08Å
607	C	91.7	Very high	92.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	105.2	172.1	-172.4	0	0	0	0	109	Y434 V450 A455 K457 I612	Y434-C607 PolarHBondContact OH-SG 3.07Å; V450-C607 PolarHBondContact O-N 2.97Å; A455-C607 HydrophobicContact CB-CB 4.48Å; A455-C607 VanDerWaalsContact CB-O 3.26Å; A455-C607 WeakPolarHBondContact CB-O 3.25Å; A455-C607 PolarHBondContact O-SG 2.81Å; K457-C607 HydrophobicContact CG-CB 4.01Å; C607-I612 HydrophobicContact CB-CG1 4.32Å
608	D	88.7	Confident	92.6	Very high	63 Å²	63	61.1 Å²	61.1	34%	0.337	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	163	178.5	-169	20.4	0	0	0	110.3	L606 N610 T611	L606-D608 HydrophobicContact CG-CB 4.3Å; D608-N610 VanDerWaalsContact C-N 3.27Å; D608-N610 PolarHBondContact O-N 3.21Å; D608-N610 VanDerWaalsContact O-N 3.16Å; D608-T611 PolarHBondContact N-O 3.15Å; D608-T611 VanDerWaalsContact N-O 3.1Å; D608-T611 CarbonylContact O-C 3.58Å; D608-T611 PolarHBondContact O-N 2.9Å
609	K	86.8	Confident	92.5	Very high	168 Å²	168	58.7 Å²	58.7	73%	0.73	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	44.4	173	-60	173.6	-173	175.3	0	113.8	T611	K609-T611 PolarHBondContact O-N 3.05Å
610	N	90	Very high	92.5	Very high	67 Å²	67	59.6 Å²	59.6	36%	0.358	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	18.2	176.9	-51	69.4	0	0	0	115.2	W432 I433 Y434 K435 D608	W432-N610 PolarHBondContact O-ND2 3.32Å; I433-N610 CarbonylContact O-C 3.54Å; I433-N610 WeakPolarHBondContact O-CA 3.4Å; Y434-N610 CarbonylContact C-O 3.59Å; Y434-N610 VanDerWaalsContact CA-O 3.3Å; Y434-N610 WeakPolarHBondContact CA-O 3.34Å; K435-N610 HydrophobicContact CG-CB 4.5Å; K435-N610 PolarHBondContact N-O 3.38Å; D608-N610 VanDerWaalsContact C-N 3.27Å; D608-N610 PolarHBondContact O-N 3.21Å; D608-N610 VanDerWaalsContact O-N 3.16Å
611	T	91.7	Very high	92.5	Very high	52 Å²	52	61.3 Å²	61.3	32%	0.319	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	175.7	178.5	-165.8	0	0	0	0	111	D608 K609	D608-T611 PolarHBondContact N-O 3.15Å; D608-T611 VanDerWaalsContact N-O 3.1Å; D608-T611 CarbonylContact O-C 3.58Å; D608-T611 PolarHBondContact O-N 2.9Å; K609-T611 PolarHBondContact O-N 3.05Å
612	I	93.5	Very high	92.4	Very high	10 Å²	10	61 Å²	61	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.9	171.9	-53.9	178.5	0	0	0	107.5	Y434 Y437 L449 F460 W605 L606 C607	Y434-I612 HydrophobicContact CD1-CG1 4.31Å; Y434-I612 HydrophobicContact CE1-CD1 3.9Å; Y434-I612 HydrophobicContact CE1-CG1 3.61Å; Y437-I612 HydrophobicContact CD1-CD1 4.48Å; Y437-I612 HydrophobicContact CD2-CB 4.32Å; Y437-I612 HydrophobicContact CE1-CB 4.18Å; Y437-I612 HydrophobicContact CE1-CD1 3.92Å; Y437-I612 HydrophobicContact CE1-CG1 4.3Å; Y437-I612 HydrophobicContact CE2-CB 3.7Å; Y437-I612 WeakPolarHBondContact CE2-O 3.29Å; L449-I612 HydrophobicContact CD2-CD1 4.17Å; L449-I612 HydrophobicContact CD2-CG2 4.05Å; F460-I612 HydrophobicContact CB-CD1 4.2Å; F460-I612 HydrophobicContact CD1-CD1 3.94Å; F460-I612 HydrophobicContact CD2-CD1 3.66Å; F460-I612 HydrophobicContact CE1-CD1 4.18Å; F460-I612 HydrophobicContact CE2-CD1 3.94Å; F460-I612 HydrophobicContact CG-CD1 3.66Å; F460-I612 HydrophobicContact CZ-CD1 4.18Å; W605-I612 HydrophobicContact CB-CG2 3.65Å; W605-I612 HydrophobicContact CD2-CG2 4.18Å; W605-I612 HydrophobicContact CE3-CG2 3.81Å; W605-I612 HydrophobicContact CG-CG2 4.18Å; L606-I612 WeakPolarHBondContact O-CA 3.43Å; C607-I612 HydrophobicContact CB-CG1 4.32Å
613	S	93.2	Very high	92.3	Very high	58 Å²	58	53.3 Å²	53.3	41%	0.406	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.2	-177.9	60.7	0	0	0	0	110.8	W605 L606	W605-S613 CarbonylContact C-O 3.5Å; W605-S613 WeakPolarHBondContact CA-O 3.49Å; L606-S613 PolarHBondContact N-O 3.13Å; L606-S613 PolarHBondContact O-N 3.38Å
614	K	93.8	Very high	92.2	Very high	126 Å²	126	56.3 Å²	56.3	55%	0.548	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.7	177.4	-175.8	171.6	177.9	169.3	0	110.1	E603	E603-K614 IonicContact OE1-NZ 2.96Å; E603-K614 PolarHBondContact OE1-NZ 2.9Å; E603-K614 WeakPolarHBondContact OE2-CE 3.37Å; E603-K614 IonicContact OE2-NZ 2.77Å; E603-K614 PolarHBondContact OE2-NZ 3.41Å
615	W	94.8	Very high	92	Very high	47 Å²	47	58 Å²	58	18%	0.178	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.9	170.4	-178.3	-108.1	0	0	0	109.3	I604 G617 D618 S621 Y622 N625	I604-W615 HydrophobicContact CB-CB 4.06Å; I604-W615 HydrophobicContact CG2-CB 3.98Å; I604-W615 PolarHBondContact O-N 3.49Å; W615-G617 VanDerWaalsContact C-N 3.29Å; W615-G617 VanDerWaalsContact CD1-O 3.24Å; W615-G617 PolarHBondContact O-N 3.42Å; W615-D618 PolarHBondContact NE1-O 3.09Å; W615-S621 PolarHBondContact NE1-OG 3.05Å; W615-Y622 AromaticContact CD2-CD2 3.93Å; W615-Y622 HydrophobicContact CD2-CD2 3.93Å; W615-Y622 HydrophobicContact CE3-CD2 4.04Å; W615-Y622 HydrophobicContact CG-CD2 4.49Å; W615-Y622 HydrophobicContact CH2-CD2 4.31Å; W615-Y622 HydrophobicContact CZ2-CD2 4.21Å; W615-Y622 HydrophobicContact CZ3-CD2 4.23Å; W615-N625 HydrophobicContact CH2-CB 3.77Å; W615-N625 HydrophobicContact CZ2-CB 4.04Å
616	P	92.4	Very high	91.8	Very high	125 Å²	125	57.2 Å²	57.2	81%	0.812	30%	0.301	S	S	*	.	S	Bend	trans	-75.1	-14.1	-173.1	28.8	-35.8	0	0	0	114.4
617	G	91.8	Very high	91.6	Very high	33 Å²	33	59 Å²	59	34%	0.34	31%	0.306	S	S	.	.	S	Bend	trans	-114.3	-167.8	-177.7	0	0	0	0	0	114.1	W615 S621	W615-G617 VanDerWaalsContact C-N 3.29Å; W615-G617 VanDerWaalsContact CD1-O 3.24Å; W615-G617 PolarHBondContact O-N 3.42Å; G617-S621 WeakPolarHBondContact CA-OG 3.25Å
618	D	92.2	Very high	91.6	Very high	87 Å²	87	62.5 Å²	62.5	47%	0.465	32%	0.322	S	S	.	.			trans	-83.2	179.7	172	68.4	-3.2	0	0	0	111.6	W615 F620 S621 Y622	W615-D618 PolarHBondContact NE1-O 3.09Å; D618-F620 VanDerWaalsContact C-N 3.28Å; D618-F620 PolarHBondContact O-N 2.96Å; D618-F620 PolarHBondContact OD1-N 3.48Å; D618-S621 PolarHBondContact N-OG 2.91Å; D618-S621 VanDerWaalsContact N-OG 3.14Å; D618-S621 PolarHBondContact O-N 3.12Å; D618-S621 PolarHBondContact O-OG 2.76Å; D618-S621 WeakPolarHBondContact OD1-CB 3.4Å; D618-S621 PolarHBondContact OD1-N 3.11Å; D618-S621 PolarHBondContact OD1-OG 3.09Å; D618-S621 VanDerWaalsContact OD1-OG 3.08Å; D618-Y622 PolarHBondContact O-N 3.49Å
619	I	90.1	Very high	91.6	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-71.2	-26.6	-176.7	-164.9	64.2	0	0	0	112.3	V450 F594 V597 I604 Y622 K623	V450-I619 HydrophobicContact CG1-CD1 3.95Å; F594-I619 HydrophobicContact CD1-CD1 4.48Å; F594-I619 HydrophobicContact CD1-CG1 3.66Å; F594-I619 HydrophobicContact CE1-CG1 4.19Å; F594-I619 WeakPolarHBondContact O-CG2 3.49Å; V597-I619 HydrophobicContact CB-CG1 4.21Å; V597-I619 HydrophobicContact CG1-CB 3.91Å; V597-I619 HydrophobicContact CG1-CD1 3.86Å; V597-I619 HydrophobicContact CG1-CG1 3.73Å; V597-I619 HydrophobicContact CG1-CG2 4.37Å; I604-I619 HydrophobicContact CD1-CB 3.61Å; I604-I619 HydrophobicContact CD1-CD1 3.97Å; I604-I619 HydrophobicContact CD1-CG1 4.37Å; I604-I619 HydrophobicContact CG2-CD1 4.4Å; I619-Y622 HydrophobicContact CD1-CD1 4.04Å; I619-Y622 WeakPolarHBondContact O-CB 3.44Å; I619-Y622 PolarHBondContact O-N 3.4Å; I619-K623 PolarHBondContact O-N 3.3Å
620	F	91.9	Very high	91.6	Very high	89 Å²	89	56.1 Å²	56.1	39%	0.39	29%	0.293	S	S	.	.	H	α-helix	trans	-75	-35.9	177.4	-64.2	-66	0	0	0	112.4	F594 S598 D618 Y622 K623 K624	F594-F620 HydrophobicContact CB-CE1 4.45Å; S598-F620 WeakPolarHBondContact OG-CE2 3.4Å; D618-F620 VanDerWaalsContact C-N 3.28Å; D618-F620 PolarHBondContact O-N 2.96Å; D618-F620 PolarHBondContact OD1-N 3.48Å; F620-Y622 VanDerWaalsContact C-N 3.29Å; F620-K623 WeakPolarHBondContact O-CB 3.18Å; F620-K623 PolarHBondContact O-N 2.94Å; F620-K624 PolarHBondContact O-N 3.49Å
621	S	92.9	Very high	91.3	Very high	40 Å²	40	57.8 Å²	57.8	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-38.1	169.1	70.4	0	0	0	0	111.5	W615 G617 D618 K624 N625	W615-S621 PolarHBondContact NE1-OG 3.05Å; G617-S621 WeakPolarHBondContact CA-OG 3.25Å; D618-S621 PolarHBondContact N-OG 2.91Å; D618-S621 VanDerWaalsContact N-OG 3.14Å; D618-S621 PolarHBondContact O-N 3.12Å; D618-S621 PolarHBondContact O-OG 2.76Å; D618-S621 WeakPolarHBondContact OD1-CB 3.4Å; D618-S621 PolarHBondContact OD1-N 3.11Å; D618-S621 PolarHBondContact OD1-OG 3.09Å; D618-S621 VanDerWaalsContact OD1-OG 3.08Å; S621-K624 PolarHBondContact O-N 2.96Å; S621-N625 PolarHBondContact O-N 3.12Å
622	Y	91.8	Very high	91	Very high	15 Å²	15	60.9 Å²	60.9	6%	0.059	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-45.8	172.3	-179.1	-112	0	0	0	111.1	L282 V450 L606 W615 D618 I619 F620 K624 N625 L626	L282-Y622 HydrophobicContact CD1-CE1 4.08Å; V450-Y622 HydrophobicContact CB-CE1 4.28Å; V450-Y622 HydrophobicContact CG2-CD1 4.46Å; V450-Y622 HydrophobicContact CG2-CE1 4.07Å; L606-Y622 HydrophobicContact CD1-CE2 4.02Å; L606-Y622 WeakPolarHBondContact CD1-OH 3.08Å; W615-Y622 AromaticContact CD2-CD2 3.93Å; W615-Y622 HydrophobicContact CD2-CD2 3.93Å; W615-Y622 HydrophobicContact CE3-CD2 4.04Å; W615-Y622 HydrophobicContact CG-CD2 4.49Å; W615-Y622 HydrophobicContact CH2-CD2 4.31Å; W615-Y622 HydrophobicContact CZ2-CD2 4.21Å; W615-Y622 HydrophobicContact CZ3-CD2 4.23Å; D618-Y622 PolarHBondContact O-N 3.49Å; I619-Y622 HydrophobicContact CD1-CD1 4.04Å; I619-Y622 WeakPolarHBondContact O-CB 3.44Å; I619-Y622 PolarHBondContact O-N 3.4Å; F620-Y622 VanDerWaalsContact C-N 3.29Å; Y622-K624 VanDerWaalsContact C-N 3.31Å; Y622-K624 PolarHBondContact O-N 2.71Å; Y622-N625 WeakPolarHBondContact O-CB 3.33Å; Y622-N625 PolarHBondContact O-N 3.35Å; Y622-N625 VanDerWaalsContact O-N 3.12Å; Y622-L626 HydrophobicContact CD1-CD1 4Å; Y622-L626 HydrophobicContact CD1-CG 4.45Å; Y622-L626 HydrophobicContact CE1-CD1 3.5Å; Y622-L626 HydrophobicContact CE1-CD2 4.47Å; Y622-L626 HydrophobicContact CE1-CG 4.07Å; Y622-L626 HydrophobicContact CE2-CD2 4.32Å; Y622-L626 HydrophobicContact CE2-CG 4.36Å; Y622-L626 WeakPolarHBondContact O-CG 3.33Å; Y622-L626 PolarHBondContact O-N 2.86Å
623	K	91.4	Very high	90.2	Very high	5 Å²	5	63.4 Å²	63.4	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-54.9	-46.1	173.9	-169.2	175.4	176.2	177	0	112	V286 E289 D307 F594 I619 F620 N625 L626 R627	V286-K623 HydrophobicContact CG2-CG 3.85Å; E289-K623 IonicContact OE1-NZ 3.05Å; E289-K623 PolarHBondContact OE1-NZ 3.3Å; E289-K623 WeakPolarHBondContact OE2-CE 3.5Å; E289-K623 IonicContact OE2-NZ 3.09Å; E289-K623 PolarHBondContact OE2-NZ 2.95Å; D307-K623 IonicContact OD1-NZ 3.29Å; D307-K623 PolarHBondContact OD1-NZ 3.02Å; D307-K623 IonicContact OD2-NZ 3.17Å; D307-K623 PolarHBondContact OD2-NZ 2.93Å; F594-K623 HydrophobicContact CD1-CB 4.01Å; F594-K623 HydrophobicContact CD1-CD 4.01Å; F594-K623 HydrophobicContact CD1-CG 4.28Å; F594-K623 HydrophobicContact CD2-CD 4.46Å; F594-K623 HydrophobicContact CE1-CB 3.5Å; F594-K623 VanDerWaalsContact CE1-CB 3.5Å; F594-K623 HydrophobicContact CE1-CD 3.9Å; F594-K623 HydrophobicContact CE1-CG 3.71Å; F594-K623 HydrophobicContact CE2-CD 4.3Å; F594-K623 HydrophobicContact CG-CD 4.34Å; F594-K623 HydrophobicContact CZ-CB 4.15Å; F594-K623 HydrophobicContact CZ-CD 4.03Å; F594-K623 HydrophobicContact CZ-CG 3.86Å; I619-K623 PolarHBondContact O-N 3.3Å; F620-K623 WeakPolarHBondContact O-CB 3.18Å; F620-K623 PolarHBondContact O-N 2.94Å; K623-N625 VanDerWaalsContact C-N 3.35Å; K623-L626 PolarHBondContact O-N 3.2Å; K623-R627 PolarHBondContact O-N 3.43Å
624	K	92.5	Very high	89.2	Confident	129 Å²	129	63.5 Å²	63.5	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-43.7	177.3	-172.4	-177.2	177.3	-170.2	0	111.3	F620 S621 Y622 L626 R627 E628	F620-K624 PolarHBondContact O-N 3.49Å; S621-K624 PolarHBondContact O-N 2.96Å; Y622-K624 VanDerWaalsContact C-N 3.31Å; Y622-K624 PolarHBondContact O-N 2.71Å; K624-L626 VanDerWaalsContact C-N 3.34Å; K624-L626 PolarHBondContact O-N 3.34Å; K624-R627 PolarHBondContact O-N 3.49Å; K624-E628 VanDerWaalsContact CE-OE1 3.23Å; K624-E628 WeakPolarHBondContact CE-OE1 3.14Å; K624-E628 WeakPolarHBondContact O-CG 3.19Å; K624-E628 PolarHBondContact O-N 3.4Å
625	N	92.8	Very high	88.1	Confident	47 Å²	47	65.1 Å²	65.1	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.3	-173.8	-100.3	0	0	0	112	W615 S621 Y622 K623 E628 Q629	W615-N625 HydrophobicContact CH2-CB 3.77Å; W615-N625 HydrophobicContact CZ2-CB 4.04Å; S621-N625 PolarHBondContact O-N 3.12Å; Y622-N625 WeakPolarHBondContact O-CB 3.33Å; Y622-N625 PolarHBondContact O-N 3.35Å; Y622-N625 VanDerWaalsContact O-N 3.12Å; K623-N625 VanDerWaalsContact C-N 3.35Å; N625-E628 PolarHBondContact O-N 3.35Å; N625-Q629 VanDerWaalsContact O-CG 3.32Å; N625-Q629 WeakPolarHBondContact O-CG 3.48Å; N625-Q629 PolarHBondContact O-N 3.05Å; N625-Q629 PolarHBondContact OD1-NE2 3.38Å
626	L	90	Very high	86.3	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-43.9	174.7	-68.3	177.7	0	0	0	111.9	L282 V286 Y622 K623 K624 E628 Q629 I630	L282-L626 HydrophobicContact CB-CD1 4.33Å; V286-L626 HydrophobicContact CG1-CB 4.39Å; V286-L626 HydrophobicContact CG2-CD1 4.32Å; Y622-L626 HydrophobicContact CD1-CD1 4Å; Y622-L626 HydrophobicContact CD1-CG 4.45Å; Y622-L626 HydrophobicContact CE1-CD1 3.5Å; Y622-L626 HydrophobicContact CE1-CD2 4.47Å; Y622-L626 HydrophobicContact CE1-CG 4.07Å; Y622-L626 HydrophobicContact CE2-CD2 4.32Å; Y622-L626 HydrophobicContact CE2-CG 4.36Å; Y622-L626 WeakPolarHBondContact O-CG 3.33Å; Y622-L626 PolarHBondContact O-N 2.86Å; K623-L626 PolarHBondContact O-N 3.2Å; K624-L626 VanDerWaalsContact C-N 3.34Å; K624-L626 PolarHBondContact O-N 3.34Å; L626-E628 PolarHBondContact O-N 3.2Å; L626-Q629 WeakPolarHBondContact O-CB 3.33Å; L626-Q629 PolarHBondContact O-N 3.27Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.3Å; L626-I630 WeakPolarHBondContact O-CG1 3.47Å; L626-I630 PolarHBondContact O-N 3.34Å
627	R	89.6	Confident	84.5	Confident	70 Å²	70	69.9 Å²	69.9	26%	0.264	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-47.5	175.4	-73.8	-176.2	179.6	157.5	-3	112	V286 E289 E290 K623 K624 Q629 I630 E631	V286-R627 HydrophobicContact CG1-CB 4.38Å; V286-R627 HydrophobicContact CG1-CG 3.34Å; E289-R627 IonicContact OE1-CZ 3.52Å; E289-R627 IonicContact OE1-NH2 3.55Å; E289-R627 PolarHBondContact OE1-NH2 3.21Å; E289-R627 IonicContact OE2-NH2 3.92Å; E290-R627 IonicContact OE1-CZ 2.81Å; E290-R627 IonicContact OE1-NE 3.6Å; E290-R627 PolarHBondContact OE1-NE 3.16Å; K623-R627 PolarHBondContact O-N 3.43Å; K624-R627 PolarHBondContact O-N 3.49Å; R627-Q629 VanDerWaalsContact C-N 3.29Å; R627-Q629 PolarHBondContact O-N 3.17Å; R627-I630 PolarHBondContact O-N 3.32Å; R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 2.59Å
628	E	91.3	Very high	84.2	Confident	73 Å²	73	71.8 Å²	71.8	34%	0.341	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-36.9	178.1	-71.8	174.9	-168.1	0	0	112.2	K624 N625 L626 K632	K624-E628 VanDerWaalsContact CE-OE1 3.23Å; K624-E628 WeakPolarHBondContact CE-OE1 3.14Å; K624-E628 WeakPolarHBondContact O-CG 3.19Å; K624-E628 PolarHBondContact O-N 3.4Å; N625-E628 PolarHBondContact O-N 3.35Å; L626-E628 PolarHBondContact O-N 3.2Å; E628-K632 WeakPolarHBondContact O-CB 3.3Å; E628-K632 VanDerWaalsContact O-CG 3.25Å; E628-K632 WeakPolarHBondContact O-CG 3.49Å; E628-K632 PolarHBondContact O-N 3.17Å
629	Q	88.1	Confident	83.8	Confident	89 Å²	89	70.9 Å²	70.9	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-46	173.9	-71.6	178.5	15	0	0	111.4	N625 L626 R627 E631 K632 C633	N625-Q629 VanDerWaalsContact O-CG 3.32Å; N625-Q629 WeakPolarHBondContact O-CG 3.48Å; N625-Q629 PolarHBondContact O-N 3.05Å; N625-Q629 PolarHBondContact OD1-NE2 3.38Å; L626-Q629 WeakPolarHBondContact O-CB 3.33Å; L626-Q629 PolarHBondContact O-N 3.27Å; R627-Q629 VanDerWaalsContact C-N 3.29Å; R627-Q629 PolarHBondContact O-N 3.17Å; Q629-E631 VanDerWaalsContact C-N 3.35Å; Q629-E631 PolarHBondContact O-N 3.09Å; Q629-K632 PolarHBondContact O-N 3.12Å; Q629-C633 PolarHBondContact O-N 3.34Å; Q629-C633 PolarHBondContact O-SG 3.43Å; Q629-C633 VanDerWaalsContact O-SG 3.4Å
630	I	86.7	Confident	83.4	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-44.6	177.6	-69.4	160.6	0	0	0	110.8	V286 W287 L626 R627 C633 R634	V286-I630 HydrophobicContact CB-CD1 4.24Å; V286-I630 HydrophobicContact CG1-CD1 3.82Å; W287-I630 HydrophobicContact CB-CD1 3.91Å; L626-I630 WeakPolarHBondContact O-CD1 3.45Å; L626-I630 VanDerWaalsContact O-CG1 3.3Å; L626-I630 WeakPolarHBondContact O-CG1 3.47Å; L626-I630 PolarHBondContact O-N 3.34Å; R627-I630 PolarHBondContact O-N 3.32Å; I630-C633 PolarHBondContact O-N 3.2Å; I630-R634 WeakPolarHBondContact O-CG 3.3Å; I630-R634 PolarHBondContact O-N 3.15Å
631	E	85	Confident	82.9	Confident	102 Å²	102	73.9 Å²	73.9	48%	0.477	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-43.2	177.4	-73.8	178.4	173.5	0	0	112.2	R627 Q629 R634 Q635	R627-E631 WeakPolarHBondContact O-CG 3.42Å; R627-E631 PolarHBondContact O-N 2.59Å; Q629-E631 VanDerWaalsContact C-N 3.35Å; Q629-E631 PolarHBondContact O-N 3.09Å; E631-R634 PolarHBondContact O-N 3.2Å; E631-Q635 WeakPolarHBondContact O-CG 3.5Å; E631-Q635 PolarHBondContact O-N 3.14Å
632	K	84.3	Confident	82.3	Confident	117 Å²	117	76 Å²	76	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-63	-42.9	175.5	-74.1	173.3	-172	176.8	0	112	E628 Q629 R634 Q635 Q636	E628-K632 WeakPolarHBondContact O-CB 3.3Å; E628-K632 VanDerWaalsContact O-CG 3.25Å; E628-K632 WeakPolarHBondContact O-CG 3.49Å; E628-K632 PolarHBondContact O-N 3.17Å; Q629-K632 PolarHBondContact O-N 3.12Å; K632-R634 VanDerWaalsContact C-N 3.26Å; K632-R634 PolarHBondContact O-N 3.4Å; K632-Q635 PolarHBondContact O-N 3.44Å; K632-Q636 WeakPolarHBondContact O-CG 3.47Å; K632-Q636 PolarHBondContact O-N 3.38Å; K632-Q636 VanDerWaalsContact O-N 3.1Å
633	C	76.8	Confident	81.6	Confident	64 Å²	64	80.1 Å²	80.1	43%	0.432	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-37.4	176.2	-75.1	0	0	0	0	111.9	Q629 I630 Q636 A637	Q629-C633 PolarHBondContact O-N 3.34Å; Q629-C633 PolarHBondContact O-SG 3.43Å; Q629-C633 VanDerWaalsContact O-SG 3.4Å; I630-C633 PolarHBondContact O-N 3.2Å; C633-Q636 PolarHBondContact O-N 3.31Å; C633-A637 WeakPolarHBondContact O-CB 3.46Å; C633-A637 PolarHBondContact O-N 3.11Å
634	R	73.3	Confident	80.9	Confident	60 Å²	60	85.4 Å²	85.4	23%	0.226	43%	0.425	C	S	.	.	H	α-helix	trans	-72.9	-27.8	175.9	-70.1	178.4	-171.1	-143.5	4.8	114.5	W287 E291 K294 I630 E631 K632 Q636 A637	W287-R634 VanDerWaalsContact NE1-NH2 3.16Å; E291-R634 IonicContact OE1-CZ 2.78Å; E291-R634 IonicContact OE1-NH1 3.76Å; E291-R634 PolarHBondContact OE1-NH1 2.96Å; E291-R634 IonicContact OE1-NH2 2.63Å; E291-R634 PolarHBondContact OE1-NH2 3.12Å; K294-R634 VanDerWaalsContact NZ-NH1 3.16Å; I630-R634 WeakPolarHBondContact O-CG 3.3Å; I630-R634 PolarHBondContact O-N 3.15Å; E631-R634 PolarHBondContact O-N 3.2Å; K632-R634 VanDerWaalsContact C-N 3.26Å; K632-R634 PolarHBondContact O-N 3.4Å; R634-Q636 VanDerWaalsContact C-N 3.34Å; R634-A637 VanDerWaalsContact O-OXT 3.1Å
635	Q	70.1	Confident	80.1	Confident	160 Å²	160	82.1 Å²	82.1	75%	0.748	41%	0.414	S	S	*	.	H	α-helix	trans	-79	-22.9	175.9	-72.1	173.6	5.1	0	0	112.4	E631 K632	E631-Q635 WeakPolarHBondContact O-CG 3.5Å; E631-Q635 PolarHBondContact O-N 3.14Å; K632-Q635 PolarHBondContact O-N 3.44Å
636	Q	57.9	Low	79	Confident	166 Å²	166	85 Å²	85	78%	0.776	43%	0.428	S	S	*	.	H	α-helix	trans	-91.9	-24.6	178.2	-70.2	178	0.8	0	0	113.4	K632 C633 R634	K632-Q636 WeakPolarHBondContact O-CG 3.47Å; K632-Q636 PolarHBondContact O-N 3.38Å; K632-Q636 VanDerWaalsContact O-N 3.1Å; C633-Q636 PolarHBondContact O-N 3.31Å; R634-Q636 VanDerWaalsContact C-N 3.34Å
637	A	54.8	Low	78	Confident	106 Å²	106	92.2 Å²	92.2	88%	0.876	46%	0.464	S	S	*	.			trans	-78.9	0	168.7	0	0	0	0	0	109.3	C633 R634	C633-A637 WeakPolarHBondContact O-CB 3.46Å; C633-A637 PolarHBondContact O-N 3.11Å; R634-A637 VanDerWaalsContact O-OXT 3.1Å

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