A0A3Q0KGF1_SCHMA Loading...

Tubby-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KGF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 524 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	54.5	Low	77.6	Confident	217 Å²	217	135.5 Å²	135.5	100%	1.069	65%	0.646	S	S	*	*				0	-34.5	0	-151.3	179	-68.5	0	0	112.5	N3 V4	M1-N3 PolarHBondContact O-N 2.88Å; M1-V4 PolarHBondContact O-N 3.33Å
2	E	63.4	Low	78.5	Confident	162 Å²	162	133.9 Å²	133.9	76%	0.757	64%	0.638	S	S	*	*	H	α-helix	trans	-60.8	-36.9	-169.4	-66.9	165.4	119.5	0	0	115.8	V4 R5 F6	E2-V4 PolarHBondContact O-N 2.78Å; E2-V4 VanDerWaalsContact O-N 3.12Å; E2-R5 CarbonylContact O-C 3.56Å; E2-R5 WeakPolarHBondContact O-CA 3.21Å; E2-R5 WeakPolarHBondContact O-CB 3.38Å; E2-R5 PolarHBondContact O-N 3.28Å; E2-F6 PolarHBondContact O-N 3.12Å
3	N	73.4	Confident	79.2	Confident	136 Å²	136	134.2 Å²	134.2	73%	0.727	63%	0.629	S	S	*	*	H	α-helix	trans	-55.1	-32.7	177.1	-81.3	-11.9	0	0	0	113.8	M1 T7	M1-N3 PolarHBondContact O-N 2.88Å; N3-T7 WeakPolarHBondContact O-CB 3.38Å; N3-T7 WeakPolarHBondContact O-CG2 3.4Å; N3-T7 PolarHBondContact O-N 3.24Å; N3-T7 PolarHBondContact O-OG1 2.83Å
4	V	78	Confident	79.9	Confident	106 Å²	106	134.2 Å²	134.2	64%	0.642	63%	0.629	S	S	*	*	H	α-helix	trans	-73.3	-32.8	176.1	-175.3	0	0	0	0	111.3	M1 E2 T7 K8	M1-V4 PolarHBondContact O-N 3.33Å; E2-V4 PolarHBondContact O-N 2.78Å; E2-V4 VanDerWaalsContact O-N 3.12Å; V4-T7 PolarHBondContact O-OG1 3Å; V4-K8 VanDerWaalsContact O-CB 3.3Å; V4-K8 WeakPolarHBondContact O-CB 3.47Å; V4-K8 PolarHBondContact O-N 3.03Å
5	R	78.5	Confident	80.3	Confident	195 Å²	195	132.3 Å²	132.3	74%	0.736	62%	0.624	S	S	*	*	H	α-helix	trans	-72.7	-39.8	173.9	-168.1	176.8	-175.2	172.2	1.7	111.3	E2 L9	E2-R5 CarbonylContact O-C 3.56Å; E2-R5 WeakPolarHBondContact O-CA 3.21Å; E2-R5 WeakPolarHBondContact O-CB 3.38Å; E2-R5 PolarHBondContact O-N 3.28Å; R5-L9 HydrophobicContact CG-CD1 4.41Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 3.26Å
6	F	81.9	Confident	80.7	Confident	120 Å²	120	131.2 Å²	131.2	53%	0.526	62%	0.622	S	S	.	*	H	α-helix	trans	-65	-52.7	178.2	-164.5	-88.4	0	0	0	111.4	E2 K8 L9 E10	E2-F6 PolarHBondContact O-N 3.12Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.29Å; F6-L9 CarbonylContact O-C 3.59Å; F6-L9 WeakPolarHBondContact O-CA 3.5Å; F6-L9 WeakPolarHBondContact O-CB 3.5Å; F6-L9 PolarHBondContact O-N 2.83Å; F6-E10 WeakPolarHBondContact CE1-OE2 3.3Å; F6-E10 PolarHBondContact O-N 3.07Å
7	T	82	Confident	80.9	Confident	81 Å²	81	133.7 Å²	133.7	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-60.7	-33.3	176.8	49.3	0	0	0	0	113.4	N3 V4 E10 K11	N3-T7 WeakPolarHBondContact O-CB 3.38Å; N3-T7 WeakPolarHBondContact O-CG2 3.4Å; N3-T7 PolarHBondContact O-N 3.24Å; N3-T7 PolarHBondContact O-OG1 2.83Å; V4-T7 PolarHBondContact O-OG1 3Å; T7-E10 PolarHBondContact O-N 3.21Å; T7-K11 PolarHBondContact O-N 3.29Å; T7-K11 VanDerWaalsContact O-N 3.1Å
8	K	83.4	Confident	81	Confident	155 Å²	155	129.5 Å²	129.5	67%	0.674	61%	0.612	S	S	*	*	H	α-helix	trans	-70.7	-35.9	174	-166.1	169.5	-175.4	174.7	0	112.7	V4 F6 Q12	V4-K8 VanDerWaalsContact O-CB 3.3Å; V4-K8 WeakPolarHBondContact O-CB 3.47Å; V4-K8 PolarHBondContact O-N 3.03Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.29Å; K8-Q12 PolarHBondContact O-N 3.1Å
9	L	85.5	Confident	81.4	Confident	78 Å²	78	130 Å²	130	41%	0.408	61%	0.612	S	S	.	*	H	α-helix	trans	-68.5	-39.1	171.1	-85	163.1	0	0	0	112.3	R5 F6 Q12 R13	R5-L9 HydrophobicContact CG-CD1 4.41Å; R5-L9 WeakPolarHBondContact O-CB 3.42Å; R5-L9 PolarHBondContact O-N 3.26Å; F6-L9 CarbonylContact O-C 3.59Å; F6-L9 WeakPolarHBondContact O-CA 3.5Å; F6-L9 WeakPolarHBondContact O-CB 3.5Å; F6-L9 PolarHBondContact O-N 2.83Å; L9-Q12 PolarHBondContact O-N 3.48Å; L9-R13 WeakPolarHBondContact O-CG 3.36Å; L9-R13 PolarHBondContact O-N 3.26Å
10	E	86	Confident	81.5	Confident	87 Å²	87	130.3 Å²	130.3	41%	0.407	61%	0.613	S	S	.	*	H	α-helix	trans	-59.1	-51.8	176.1	-154	85.1	-85.3	0	0	110.6	F6 T7 Q12 R13 E14	F6-E10 WeakPolarHBondContact CE1-OE2 3.3Å; F6-E10 PolarHBondContact O-N 3.07Å; T7-E10 PolarHBondContact O-N 3.21Å; E10-Q12 VanDerWaalsContact C-N 3.29Å; E10-Q12 PolarHBondContact O-N 2.93Å; E10-R13 WeakPolarHBondContact O-CB 3.47Å; E10-R13 PolarHBondContact O-N 2.97Å; E10-R13 IonicContact OE1-NH1 3.96Å; E10-E14 WeakPolarHBondContact O-CB 3.39Å; E10-E14 PolarHBondContact O-N 3.04Å
11	K	87.2	Confident	81.5	Confident	153 Å²	153	133.5 Å²	133.5	67%	0.665	62%	0.619	S	S	*	*	H	α-helix	trans	-60.4	-34.3	176.2	-73.3	-173.1	174.2	-172.5	0	113	T7 L15	T7-K11 PolarHBondContact O-N 3.29Å; T7-K11 VanDerWaalsContact O-N 3.1Å; K11-L15 VanDerWaalsContact O-CB 3.32Å; K11-L15 WeakPolarHBondContact O-CB 3.45Å; K11-L15 PolarHBondContact O-N 3.21Å
12	Q	87.9	Confident	82.8	Confident	117 Å²	117	127.8 Å²	127.8	55%	0.547	59%	0.59	S	S	.	*	H	α-helix	trans	-67.7	-41.2	172.4	-82.2	-172.2	-42.2	0	0	112.7	K8 L9 E10 L16	K8-Q12 PolarHBondContact O-N 3.1Å; L9-Q12 PolarHBondContact O-N 3.48Å; E10-Q12 VanDerWaalsContact C-N 3.29Å; E10-Q12 PolarHBondContact O-N 2.93Å; Q12-L16 WeakPolarHBondContact O-CB 3.43Å; Q12-L16 PolarHBondContact O-N 2.87Å
13	R	88.1	Confident	83.6	Confident	138 Å²	138	127.9 Å²	127.9	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-64.5	-41.4	175.9	-72.9	167.4	168	-179.3	-3.9	111.7	L9 E10 L16 R17	L9-R13 WeakPolarHBondContact O-CG 3.36Å; L9-R13 PolarHBondContact O-N 3.26Å; E10-R13 WeakPolarHBondContact O-CB 3.47Å; E10-R13 PolarHBondContact O-N 2.97Å; E10-R13 IonicContact OE1-NH1 3.96Å; R13-L16 PolarHBondContact O-N 3.38Å; R13-R17 WeakPolarHBondContact O-CG 3.48Å; R13-R17 PolarHBondContact O-N 3.05Å
14	E	88.4	Confident	84	Confident	134 Å²	134	129.1 Å²	129.1	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-65.6	-45.4	177.4	-172.9	167.9	-134.4	0	0	111.9	E10 L16 R17 S18	E10-E14 WeakPolarHBondContact O-CB 3.39Å; E10-E14 PolarHBondContact O-N 3.04Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.39Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.4Å
15	L	86.1	Confident	83.9	Confident	106 Å²	106	125.9 Å²	125.9	56%	0.555	57%	0.568	S	S	*	*	H	α-helix	trans	-59.6	-39.3	173.8	-169.9	73.7	0	0	0	112.2	K11 S18 K19	K11-L15 VanDerWaalsContact O-CB 3.32Å; K11-L15 WeakPolarHBondContact O-CB 3.45Å; K11-L15 PolarHBondContact O-N 3.21Å; L15-S18 PolarHBondContact O-N 2.99Å; L15-K19 PolarHBondContact O-N 3.47Å
16	L	87.1	Confident	83.9	Confident	114 Å²	114	123.3 Å²	123.3	60%	0.597	56%	0.564	S	S	*	*	H	α-helix	trans	-64.8	-45.4	174.6	-90.5	162.5	0	0	0	112.3	Q12 R13 E14 S18 K19 Q20	Q12-L16 WeakPolarHBondContact O-CB 3.43Å; Q12-L16 PolarHBondContact O-N 2.87Å; R13-L16 PolarHBondContact O-N 3.38Å; E14-L16 VanDerWaalsContact C-N 3.3Å; E14-L16 PolarHBondContact O-N 3.39Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.97Å; L16-K19 PolarHBondContact O-N 3.37Å; L16-Q20 WeakPolarHBondContact O-CG 3.42Å; L16-Q20 PolarHBondContact O-N 2.99Å
17	R	84.9	Confident	83.7	Confident	174 Å²	174	122.8 Å²	122.8	66%	0.657	56%	0.563	S	S	*	*	H	α-helix	trans	-61.5	-40.4	175	-72.8	175.8	-179.9	-172.8	1	111.7	R13 E14 Q20 R21	R13-R17 WeakPolarHBondContact O-CG 3.48Å; R13-R17 PolarHBondContact O-N 3.05Å; E14-R17 PolarHBondContact O-N 3.08Å; R17-Q20 PolarHBondContact O-N 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.45Å; R17-R21 PolarHBondContact O-N 2.89Å
18	S	82.6	Confident	83.5	Confident	58 Å²	58	121.6 Å²	121.6	41%	0.406	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-50.4	175.8	-173.6	0	0	0	0	111.7	E14 L15 L16 Q20 R21 Q22	E14-S18 WeakPolarHBondContact O-CB 3.39Å; E14-S18 PolarHBondContact O-N 3.4Å; L15-S18 PolarHBondContact O-N 2.99Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.97Å; S18-Q20 VanDerWaalsContact C-N 3.3Å; S18-Q20 PolarHBondContact O-N 3.41Å; S18-R21 WeakPolarHBondContact O-CB 3.47Å; S18-R21 PolarHBondContact O-N 3.21Å; S18-R21 VanDerWaalsContact O-N 3.08Å; S18-Q22 PolarHBondContact O-N 3.05Å
19	K	87.4	Confident	83	Confident	139 Å²	139	119.7 Å²	119.7	60%	0.604	55%	0.552	S	S	*	*	H	α-helix	trans	-61.8	-33.9	176.2	-74.1	-172.7	174.5	-169.6	0	113.4	L15 L16 K23	L15-K19 PolarHBondContact O-N 3.47Å; L16-K19 PolarHBondContact O-N 3.37Å; K19-K23 WeakPolarHBondContact O-CB 3.45Å; K19-K23 PolarHBondContact O-N 3.38Å
20	Q	84	Confident	82.4	Confident	136 Å²	136	118.1 Å²	118.1	64%	0.636	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-42.5	172.2	-77.3	-179.6	-26	0	0	112.2	L16 R17 S18 K23 Y24	L16-Q20 WeakPolarHBondContact O-CG 3.42Å; L16-Q20 PolarHBondContact O-N 2.99Å; R17-Q20 PolarHBondContact O-N 3.31Å; S18-Q20 VanDerWaalsContact C-N 3.3Å; S18-Q20 PolarHBondContact O-N 3.41Å; Q20-K23 PolarHBondContact O-N 3.18Å; Q20-Y24 PolarHBondContact O-N 3.07Å
21	R	82.4	Confident	81.6	Confident	197 Å²	197	118.5 Å²	118.5	74%	0.743	55%	0.552	S	S	*	*	H	α-helix	trans	-61.5	-47.9	175.6	-74.3	175.5	175.6	-178	-2.8	111.9	R17 S18 K23 Y24 A25	R17-R21 WeakPolarHBondContact O-CG 3.45Å; R17-R21 PolarHBondContact O-N 2.89Å; S18-R21 WeakPolarHBondContact O-CB 3.47Å; S18-R21 PolarHBondContact O-N 3.21Å; S18-R21 VanDerWaalsContact O-N 3.08Å; R21-K23 PolarHBondContact O-N 3.26Å; R21-Y24 PolarHBondContact O-N 3.01Å; R21-A25 PolarHBondContact O-N 2.98Å
22	Q	80.5	Confident	80.7	Confident	97 Å²	97	115.9 Å²	115.9	45%	0.453	54%	0.542	S	S	.	.	H	α-helix	trans	-62	-41.3	176.8	-73.5	-173.1	-50.4	0	0	112.4	S18 Y24 A25 H26 D81	S18-Q22 PolarHBondContact O-N 3.05Å; Q22-Y24 VanDerWaalsContact C-N 3.31Å; Q22-Y24 PolarHBondContact O-N 3.46Å; Q22-A25 PolarHBondContact O-N 3.06Å; Q22-H26 WeakPolarHBondContact O-CB 3.44Å; Q22-H26 PolarHBondContact O-N 3.45Å; Q22-D81 PolarHBondContact NE2-OD1 3.09Å
23	K	81.4	Confident	79.7	Confident	164 Å²	164	116.5 Å²	116.5	71%	0.713	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-38.4	175	-172.9	175.7	179.6	-179.2	0	112.2	K19 Q20 R21 Q27	K19-K23 WeakPolarHBondContact O-CB 3.45Å; K19-K23 PolarHBondContact O-N 3.38Å; Q20-K23 PolarHBondContact O-N 3.18Å; R21-K23 PolarHBondContact O-N 3.26Å; K23-Q27 WeakPolarHBondContact O-CB 3.48Å; K23-Q27 PolarHBondContact O-N 2.73Å; K23-Q27 VanDerWaalsContact O-N 3.07Å
24	Y	79.9	Confident	78.5	Confident	162 Å²	162	118.3 Å²	118.3	64%	0.635	55%	0.55	S	S	*	.	H	α-helix	trans	-68.7	-45.6	175.4	-177.6	-102.6	0	0	0	112.1	Q20 R21 Q22 H26 Q27 V28	Q20-Y24 PolarHBondContact O-N 3.07Å; R21-Y24 PolarHBondContact O-N 3.01Å; Q22-Y24 VanDerWaalsContact C-N 3.31Å; Q22-Y24 PolarHBondContact O-N 3.46Å; Y24-H26 PolarHBondContact O-N 2.88Å; Y24-Q27 WeakPolarHBondContact O-CA 3.41Å; Y24-Q27 WeakPolarHBondContact O-CB 3.47Å; Y24-Q27 PolarHBondContact O-N 3.01Å; Y24-V28 HydrophobicContact CD1-CG2 4.17Å; Y24-V28 HydrophobicContact CE1-CG2 3.75Å; Y24-V28 HydrophobicContact CE2-CG2 4.32Å; Y24-V28 WeakPolarHBondContact O-CG2 3.32Å; Y24-V28 PolarHBondContact O-N 3.01Å
25	A	77.6	Confident	77	Confident	39 Å²	39	116.5 Å²	116.5	32%	0.322	55%	0.548	S	S	.	.	H	α-helix	trans	-58.2	-47.1	176.3	0	0	0	0	0	111.9	R21 Q22 Q27 V28 L29	R21-A25 PolarHBondContact O-N 2.98Å; Q22-A25 PolarHBondContact O-N 3.06Å; A25-Q27 VanDerWaalsContact C-N 3.28Å; A25-Q27 PolarHBondContact O-N 3.45Å; A25-V28 PolarHBondContact O-N 3.34Å; A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.35Å
26	H	77.7	Confident	75.5	Confident	141 Å²	141	116.9 Å²	116.9	65%	0.653	55%	0.547	S	S	*	.	H	α-helix	trans	-61.5	-35	174.1	-171.6	-62.8	0	0	0	112.3	Q22 Y24 S30	Q22-H26 WeakPolarHBondContact O-CB 3.44Å; Q22-H26 PolarHBondContact O-N 3.45Å; Y24-H26 PolarHBondContact O-N 2.88Å; H26-S30 VanDerWaalsContact O-CB 3.28Å; H26-S30 WeakPolarHBondContact O-CB 3.49Å; H26-S30 PolarHBondContact O-N 3.35Å; H26-S30 PolarHBondContact O-OG 2.87Å
27	Q	77.4	Confident	73.8	Confident	109 Å²	109	115.8 Å²	115.8	51%	0.509	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-45.8	174.3	-173.3	173.2	-0.8	0	0	111.4	K23 Y24 A25 S30 L31	K23-Q27 WeakPolarHBondContact O-CB 3.48Å; K23-Q27 PolarHBondContact O-N 2.73Å; K23-Q27 VanDerWaalsContact O-N 3.07Å; Y24-Q27 WeakPolarHBondContact O-CA 3.41Å; Y24-Q27 WeakPolarHBondContact O-CB 3.47Å; Y24-Q27 PolarHBondContact O-N 3.01Å; A25-Q27 VanDerWaalsContact C-N 3.28Å; A25-Q27 PolarHBondContact O-N 3.45Å; Q27-S30 PolarHBondContact O-N 2.94Å; Q27-S30 PolarHBondContact O-OG 2.93Å; Q27-L31 HydrophobicContact CG-CD1 4.49Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 3.35Å; Q27-L31 VanDerWaalsContact O-N 3.09Å
28	V	77.5	Confident	72.2	Confident	56 Å²	56	110.9 Å²	110.9	34%	0.339	55%	0.546	S	S	.	.	H	α-helix	trans	-59.6	-50.9	176.4	173.7	0	0	0	0	111.1	Y24 A25 S30 L31 Q32	Y24-V28 HydrophobicContact CD1-CG2 4.17Å; Y24-V28 HydrophobicContact CE1-CG2 3.75Å; Y24-V28 HydrophobicContact CE2-CG2 4.32Å; Y24-V28 WeakPolarHBondContact O-CG2 3.32Å; Y24-V28 PolarHBondContact O-N 3.01Å; A25-V28 PolarHBondContact O-N 3.34Å; V28-S30 VanDerWaalsContact C-N 3.27Å; V28-S30 PolarHBondContact O-N 3.41Å; V28-L31 WeakPolarHBondContact O-CB 3.29Å; V28-L31 PolarHBondContact O-N 3.04Å; V28-Q32 PolarHBondContact O-N 3.12Å
29	L	73.9	Confident	70.3	Confident	115 Å²	115	110.7 Å²	110.7	60%	0.602	55%	0.553	S	S	*	*	H	α-helix	trans	-58.1	-38.8	176.6	-68.7	169.9	0	0	0	112.2	A25 L31 Q32 K33	A25-L29 WeakPolarHBondContact O-CG 3.43Å; A25-L29 PolarHBondContact O-N 3.35Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.3Å; L29-Q32 PolarHBondContact O-N 2.99Å; L29-K33 PolarHBondContact O-N 2.93Å
30	S	72.1	Confident	68.1	Low	45 Å²	45	111.5 Å²	111.5	32%	0.315	56%	0.563	S	S	.	*	H	α-helix	trans	-69.6	-23.5	177.2	77.5	0	0	0	0	114.3	H26 Q27 V28 R34	H26-S30 VanDerWaalsContact O-CB 3.28Å; H26-S30 WeakPolarHBondContact O-CB 3.49Å; H26-S30 PolarHBondContact O-N 3.35Å; H26-S30 PolarHBondContact O-OG 2.87Å; Q27-S30 PolarHBondContact O-N 2.94Å; Q27-S30 PolarHBondContact O-OG 2.93Å; V28-S30 VanDerWaalsContact C-N 3.27Å; V28-S30 PolarHBondContact O-N 3.41Å; S30-R34 WeakPolarHBondContact O-CD 3.28Å; S30-R34 VanDerWaalsContact O-CG 3.29Å; S30-R34 WeakPolarHBondContact O-CG 3.39Å
31	L	69.9	Low	65.7	Low	95 Å²	95	110.4 Å²	110.4	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-81.3	-41.5	171.9	-69.4	168.3	0	0	0	110.8	Q27 V28 L29 R34 T35	Q27-L31 HydrophobicContact CG-CD1 4.49Å; Q27-L31 WeakPolarHBondContact O-CG 3.45Å; Q27-L31 PolarHBondContact O-N 3.35Å; Q27-L31 VanDerWaalsContact O-N 3.09Å; V28-L31 WeakPolarHBondContact O-CB 3.29Å; V28-L31 PolarHBondContact O-N 3.04Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.3Å; L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 3.01Å; L31-R34 VanDerWaalsContact O-N 3.11Å; L31-T35 PolarHBondContact O-N 3.32Å; L31-T35 PolarHBondContact O-OG1 3Å
32	Q	68.1	Low	63.4	Low	98 Å²	98	106 Å²	106	46%	0.458	57%	0.569	S	S	.	*	H	α-helix	trans	-64	-45.7	-179.2	-167.2	164.3	-17.2	0	0	112	V28 L29 R34 T35 E36	V28-Q32 PolarHBondContact O-N 3.12Å; L29-Q32 PolarHBondContact O-N 2.99Å; Q32-R34 PolarHBondContact O-N 2.76Å; Q32-T35 WeakPolarHBondContact CA-OG1 3.36Å; Q32-T35 PolarHBondContact O-N 2.77Å; Q32-T35 VanDerWaalsContact O-N 3.12Å; Q32-T35 PolarHBondContact O-OG1 3.24Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.43Å; Q32-E36 WeakPolarHBondContact O-CG 3.46Å; Q32-E36 PolarHBondContact O-N 3.11Å
33	K	66.3	Low	61.1	Low	130 Å²	130	106.8 Å²	106.8	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-62.4	-27.3	173.3	-166.6	164.1	-172.7	167.5	0	112.9	L29 S37	L29-K33 PolarHBondContact O-N 2.93Å; K33-S37 WeakPolarHBondContact O-CB 3.46Å; K33-S37 PolarHBondContact O-N 3.2Å; K33-S37 PolarHBondContact O-OG 3.29Å
34	R	62.8	Low	58.8	Low	175 Å²	175	108.7 Å²	108.7	66%	0.66	59%	0.593	S	S	*	*	H	α-helix	trans	-72.4	-45.5	171.8	-74.6	174.1	-173.2	-157.5	1.6	111.8	S30 L31 Q32 E36 S37 A38	S30-R34 WeakPolarHBondContact O-CD 3.28Å; S30-R34 VanDerWaalsContact O-CG 3.29Å; S30-R34 WeakPolarHBondContact O-CG 3.39Å; L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 3.01Å; L31-R34 VanDerWaalsContact O-N 3.11Å; Q32-R34 PolarHBondContact O-N 2.76Å; R34-E36 VanDerWaalsContact C-N 3.32Å; R34-E36 PolarHBondContact O-N 3.26Å; R34-S37 WeakPolarHBondContact CA-OG 3.38Å; R34-S37 PolarHBondContact O-N 3.28Å; R34-S37 PolarHBondContact O-OG 3.28Å; R34-A38 WeakPolarHBondContact O-CB 3.44Å; R34-A38 PolarHBondContact O-N 3.45Å; R34-A38 VanDerWaalsContact O-N 3.08Å
35	T	58.4	Low	56.6	Low	97 Å²	97	104.9 Å²	104.9	60%	0.595	59%	0.594	S	S	*	*	H	α-helix	trans	-62.1	-39.2	177.8	40.2	0	0	0	0	112.4	L31 Q32 A38 G39	L31-T35 PolarHBondContact O-N 3.32Å; L31-T35 PolarHBondContact O-OG1 3Å; Q32-T35 WeakPolarHBondContact CA-OG1 3.36Å; Q32-T35 PolarHBondContact O-N 2.77Å; Q32-T35 VanDerWaalsContact O-N 3.12Å; Q32-T35 PolarHBondContact O-OG1 3.24Å; T35-A38 PolarHBondContact O-N 3.18Å; T35-G39 PolarHBondContact O-N 3.18Å
36	E	53.1	Low	54.7	Low	113 Å²	113	110.4 Å²	110.4	53%	0.528	62%	0.618	S	S	.	*	H	α-helix	trans	-63.4	-46.6	174.7	-70.9	156.7	-173.7	0	0	111.2	Q32 R34 A38 G39	Q32-E36 WeakPolarHBondContact CG-OE1 3.43Å; Q32-E36 WeakPolarHBondContact O-CG 3.46Å; Q32-E36 PolarHBondContact O-N 3.11Å; R34-E36 VanDerWaalsContact C-N 3.32Å; R34-E36 PolarHBondContact O-N 3.26Å; E36-A38 PolarHBondContact O-N 3.36Å; E36-G39 PolarHBondContact O-N 3.08Å
37	S	52.9	Low	52.7	Low	92 Å²	92	108.9 Å²	108.9	64%	0.643	62%	0.624	S	S	*	*	H	α-helix	trans	-64.8	-18.4	176.7	71.5	0	0	0	0	114.9	K33 R34	K33-S37 WeakPolarHBondContact O-CB 3.46Å; K33-S37 PolarHBondContact O-N 3.2Å; K33-S37 PolarHBondContact O-OG 3.29Å; R34-S37 WeakPolarHBondContact CA-OG 3.38Å; R34-S37 PolarHBondContact O-N 3.28Å; R34-S37 PolarHBondContact O-OG 3.28Å
38	A	50.8	Low	50.5	Low	70 Å²	70	113.9 Å²	113.9	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-96.8	-14.9	-179.9	0	0	0	0	0	113.7	R34 T35 E36 I40	R34-A38 WeakPolarHBondContact O-CB 3.44Å; R34-A38 PolarHBondContact O-N 3.45Å; R34-A38 VanDerWaalsContact O-N 3.08Å; T35-A38 PolarHBondContact O-N 3.18Å; E36-A38 PolarHBondContact O-N 3.36Å; A38-I40 VanDerWaalsContact C-N 3.34Å; A38-I40 PolarHBondContact O-N 3.3Å
39	G	43.3	Very low	48.4	Very low	55 Å²	55	120.5 Å²	120.5	57%	0.567	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-4.4	-171	0	0	0	0	0	116.4	T35 E36	T35-G39 PolarHBondContact O-N 3.18Å; E36-G39 PolarHBondContact O-N 3.08Å
40	I	41	Very low	46.6	Very low	156 Å²	156	121.1 Å²	121.1	80%	0.8	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-5.3	-162.9	-60.7	177.6	0	0	0	113.4	A38	A38-I40 VanDerWaalsContact C-N 3.34Å; A38-I40 PolarHBondContact O-N 3.3Å
41	S	33.1	Very low	44.9	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	67%	0.67	S	S	*	*	S	Bend	trans	-120.5	28	-173.1	62.5	0	0	0	0	116.6
42	S	33.2	Very low	43.2	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	68%	0.684	S	S	*	*			trans	-162.8	136.3	165.5	-168.9	0	0	0	0	108.6
43	C	32.4	Very low	41.7	Very low	114 Å²	114	131.6 Å²	131.6	77%	0.77	70%	0.703	S	S	*	*			cis	-145.9	160	12	49.5	0	0	0	0	111.7
44	K	32.7	Very low	40.1	Very low	204 Å²	204	130.5 Å²	130.5	89%	0.887	71%	0.712	S	S	*	*			trans	-85.1	140.9	165	-66.4	177.1	178.7	176.1	0	110.1
45	A	34.7	Very low	38.5	Very low	81 Å²	81	129.4 Å²	129.4	67%	0.669	72%	0.719	S	S	*	*				148.1	145.1	116.5	0	0	0	0	0	115.9
46	N	37.3	Very low	37.5	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	74%	0.735	S	S	*	*			trans	90.1	142.2	149.6	-59.2	-26	0	0	0	122.3
47	S	35.8	Very low	36.3	Very low	109 Å²	109	134.2 Å²	134.2	76%	0.762	75%	0.747	S	S	*	*			trans	72.1	111.6	170.5	-136.4	0	0	0	0	117.2
48	W	31.4	Very low	35.3	Very low	214 Å²	214	134.6 Å²	134.6	81%	0.811	76%	0.756	S	S	*	*			cis	114	124.9	17.3	-88.3	108.1	0	0	0	112.3
49	R	32.7	Very low	34.2	Very low	196 Å²	196	140 Å²	140	74%	0.74	77%	0.774	S	S	*	*			trans	70	152.9	164.5	-58.6	-179.1	174.3	-105.4	-6.9	117.4
50	E	37.1	Very low	33.6	Very low	127 Å²	127	142.6 Å²	142.6	59%	0.593	78%	0.784	S	S	*	*			cis	-168.2	157.6	-22.8	-107.8	175.5	-106.8	0	0	105.5
51	N	35.3	Very low	33	Very low	113 Å²	113	145.1 Å²	145.1	60%	0.604	79%	0.789	S	S	*	*			cis	-136.6	170.5	0.4	-100.6	-52.4	0	0	0	107.5
52	K	34.7	Very low	33	Very low	180 Å²	180	145.4 Å²	145.4	78%	0.783	79%	0.789	S	S	*	*			cis	83.4	140.5	37.5	-143.2	-174.9	-172.3	-176.1	0	114.6
53	L	36	Very low	32.7	Very low	166 Å²	166	146.5 Å²	146.5	87%	0.869	79%	0.791	S	S	*	*			trans	81.9	133.4	-168.5	-56.7	163.4	0	0	0	113.9
54	S	34.2	Very low	32.5	Very low	106 Å²	106	149.2 Å²	149.2	74%	0.741	79%	0.79	S	S	*	*			cis	-160.6	145.8	-11.7	47.7	0	0	0	0	112
55	N	29.1	Very low	32.2	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	78%	0.784	S	S	*	*			trans	-71.9	143.7	174.8	-62.3	-16.5	0	0	0	112.4
56	Q	35.7	Very low	32	Very low	196 Å²	196	147.7 Å²	147.7	92%	0.916	78%	0.784	S	S	*	*				-166.2	160.8	118.8	-110	159.4	97.2	0	0	114.6
57	S	28.3	Very low	31.9	Very low	114 Å²	114	147 Å²	147	80%	0.797	79%	0.786	S	S	*	*			trans	-82.6	145.8	-171.5	50.1	0	0	0	0	114.9
58	A	32.5	Very low	32.1	Very low	100 Å²	100	145.8 Å²	145.8	83%	0.826	77%	0.771	S	S	*	*			trans	-151.3	145.8	149.1	0	0	0	0	0	110.7
59	L	28.2	Very low	32.7	Very low	184 Å²	184	137 Å²	137	96%	0.963	75%	0.747	S	S	*	*			trans	-89.4	127.4	172.2	-77.2	154	0	0	0	109.8
60	S	29.6	Very low	33.3	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	73%	0.725	S	S	*	*			trans	-158.5	133.8	158.8	51.3	0	0	0	0	111.9
61	F	30	Very low	33.6	Very low	209 Å²	209	128.9 Å²	128.9	92%	0.917	72%	0.715	S	S	*	*			trans	-82.8	144.4	158.6	-75.6	-91.6	0	0	0	109
62	P	31.8	Very low	34.2	Very low	119 Å²	119	124.3 Å²	124.3	77%	0.773	69%	0.689	S	S	*	*			trans	-123.3	160.4	143.2	26.6	-11.1	0	0	0	112
63	T	26.3	Very low	34.6	Very low	127 Å²	127	117.3 Å²	117.3	78%	0.779	67%	0.666	S	S	*	*			trans	-102.9	170.4	-175.7	45.3	0	0	0	0	112.8
64	K	29	Very low	34.9	Very low	172 Å²	172	110.3 Å²	110.3	75%	0.748	63%	0.628	S	S	*	*			trans	104.4	112.7	160.5	-59.8	-172	176.2	-172.5	0	118.6
65	D	27.5	Very low	35.5	Very low	144 Å²	144	106.8 Å²	106.8	77%	0.77	60%	0.6	S	S	*	*				58.1	77.3	120.5	-43.7	-29.3	0	0	0	120.1
66	T	30.5	Very low	36.3	Very low	109 Å²	109	99.8 Å²	99.8	67%	0.669	57%	0.565	S	S	*	*			trans	-145.9	132.1	141	-2	0	0	0	0	110.8	D68 P102	T66-D68 PolarHBondContact O-N 2.82Å; T66-P102 HydrophobicContact CG2-CB 4.35Å; T66-P102 HydrophobicContact CG2-CG 3.8Å
67	T	34.6	Very low	36.3	Very low	141 Å²	141	92.7 Å²	92.7	87%	0.865	54%	0.536	S	S	*	.			trans	-98.4	85.5	-176.4	51.6	0	0	0	0	112.1	G69	T67-G69 PolarHBondContact O-N 3.28Å
68	D	40.7	Very low	36.8	Very low	83 Å²	83	90.6 Å²	90.6	44%	0.444	51%	0.513	S	S	.	.			trans	-71.5	111.8	168.6	-83.2	-16.5	0	0	0	110.5	T66 N70	T66-D68 PolarHBondContact O-N 2.82Å; D68-N70 PolarHBondContact O-N 3Å
69	G	42.3	Very low	36.9	Very low	29 Å²	29	88.1 Å²	88.1	30%	0.299	49%	0.49	S	S	.	.			trans	-84.9	104.2	178.9	0	0	0	0	0	112.1	T67 Y71	T67-G69 PolarHBondContact O-N 3.28Å; G69-Y71 WeakPolarHBondContact O-CD2 3.48Å; G69-Y71 PolarHBondContact O-N 2.88Å
70	N	45.7	Very low	37	Very low	54 Å²	54	83 Å²	83	29%	0.289	47%	0.469	S	S	.	.			trans	-67.4	98.8	172.3	-75	-70	0	0	0	110.9	D68 Y72 H97	D68-N70 PolarHBondContact O-N 3Å; N70-Y72 HydrophobicContact CB-CE2 3.59Å; N70-Y72 VanDerWaalsContact O-CD2 3.31Å; N70-Y72 WeakPolarHBondContact O-CD2 3.24Å; N70-Y72 VanDerWaalsContact O-CE2 3.27Å; N70-Y72 WeakPolarHBondContact O-CE2 3.35Å; N70-H97 PolarHBondContact OD1-CE1 2.82Å; N70-H97 PolarHBondContact OD1-ND1 3.19Å
71	Y	43.2	Very low	37.4	Very low	99 Å²	99	83.4 Å²	83.4	39%	0.388	46%	0.462	S	S	.	.			trans	-77.5	145.6	168.8	-72.6	-89.8	0	0	0	111.2	G69 V458 N460	G69-Y71 WeakPolarHBondContact O-CD2 3.48Å; G69-Y71 PolarHBondContact O-N 2.88Å; Y71-V458 HydrophobicContact CD1-CG2 4.17Å; Y71-N460 HydrophobicContact CD1-CB 4.13Å; Y71-N460 HydrophobicContact CE1-CB 3.87Å
72	Y	49	Very low	37.5	Very low	16 Å²	16	78.6 Å²	78.6	6%	0.063	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.8	175.7	-63.1	-85.5	0	0	0	110.6	N70 V95 L459 V465 T466	N70-Y72 HydrophobicContact CB-CE2 3.59Å; N70-Y72 VanDerWaalsContact O-CD2 3.31Å; N70-Y72 WeakPolarHBondContact O-CD2 3.24Å; N70-Y72 VanDerWaalsContact O-CE2 3.27Å; N70-Y72 WeakPolarHBondContact O-CE2 3.35Å; Y72-V95 HydrophobicContact CE1-CG1 4.28Å; Y72-L459 PolarHBondContact O-N 3.14Å; Y72-V465 WeakPolarHBondContact CD2-O 3.39Å; Y72-V465 WeakPolarHBondContact CE2-O 3.09Å; Y72-V465 VanDerWaalsContact CG-O 3.3Å; Y72-T466 HydrophobicContact CE1-CG2 4.47Å
73	A	42.2	Very low	37.5	Very low	34 Å²	34	76.6 Å²	76.6	28%	0.281	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134	-174.3	0	0	0	0	0	112.5	D75 A468	A73-D75 PolarHBondContact O-N 2.79Å; A73-A468 HydrophobicContact CB-CB 4.39Å
74	Y	43.2	Very low	38.2	Very low	18 Å²	18	73.2 Å²	73.2	7%	0.071	42%	0.416	C	S	.	.			trans	-84.3	90.1	164.4	171.6	-96.2	0	0	0	107.2	G76 P401 R402 P448 Y457 L459 N472	Y74-G76 PolarHBondContact O-N 2.97Å; Y74-P401 HydrophobicContact CE1-CB 3.94Å; Y74-R402 PolarHBondContact OH-N 3.4Å; Y74-P448 HydrophobicContact CD1-CB 3.7Å; Y74-P448 HydrophobicContact CD1-CG 3.54Å; Y74-P448 HydrophobicContact CE1-CB 4.46Å; Y74-P448 HydrophobicContact CE1-CG 3.85Å; Y74-P448 HydrophobicContact CG-CB 3.95Å; Y74-P448 HydrophobicContact CG-CG 4.25Å; Y74-Y457 CarbonylContact C-O 3.21Å; Y74-Y457 WeakPolarHBondContact CA-O 3.48Å; Y74-Y457 WeakPolarHBondContact CB-O 3.09Å; Y74-Y457 PolarHBondContact N-O 3.38Å; Y74-Y457 VanDerWaalsContact O-O 3.14Å; Y74-L459 HydrophobicContact CD2-CD1 4.45Å; Y74-N472 WeakPolarHBondContact CD2-O 3.43Å; Y74-N472 VanDerWaalsContact CE2-O 3.27Å; Y74-N472 WeakPolarHBondContact CE2-O 3.32Å
75	D	46	Very low	38.5	Very low	32 Å²	32	66.4 Å²	66.4	17%	0.171	39%	0.389	C	S	.	.			trans	-75.4	64.3	175.1	-177.5	34.5	0	0	0	110.6	A73 S79 A468 S469 V470	A73-D75 PolarHBondContact O-N 2.79Å; D75-S79 WeakPolarHBondContact OD1-CB 3.46Å; D75-S79 PolarHBondContact OD1-OG 2.87Å; D75-A468 HydrophobicContact CB-CB 4.12Å; D75-S469 CarbonylContact O-C 3.55Å; D75-V470 WeakPolarHBondContact O-CA 3.21Å; D75-V470 WeakPolarHBondContact O-CG1 3.36Å; D75-V470 PolarHBondContact O-N 2.97Å
76	G	45.2	Very low	39.3	Very low	7 Å²	7	61.4 Å²	61.4	7%	0.072	36%	0.363	C	S	.	.			trans	-81.8	174	170.2	0	0	0	0	0	112.3	Y74 Q78 S79	Y74-G76 PolarHBondContact O-N 2.97Å; G76-Q78 PolarHBondContact O-N 3.04Å; G76-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.92Å
77	P	36.8	Very low	39.9	Very low	46 Å²	46	61.4 Å²	61.4	30%	0.299	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	36	-168.3	30.1	-36.6	0	0	0	116.2	R402	P77-R402 HydrophobicContact CG-CB 4.31Å
78	Q	37.7	Very low	40.1	Very low	71 Å²	71	59.7 Å²	59.7	33%	0.332	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.8	160.2	-73	-158.6	-7.7	0	0	113.6	G76 C80 K399	G76-Q78 PolarHBondContact O-N 3.04Å; Q78-C80 PolarHBondContact O-N 3.28Å; Q78-K399 HydrophobicContact CG-CB 4.39Å; Q78-K399 PolarHBondContact NE2-O 2.92Å
79	S	35.2	Very low	40.1	Very low	48 Å²	48	61.6 Å²	61.6	34%	0.336	36%	0.356	S	S	.	.			trans	-72.1	56.8	172.5	47.3	0	0	0	0	113.3	D75 G76 D81	D75-S79 WeakPolarHBondContact OD1-CB 3.46Å; D75-S79 PolarHBondContact OD1-OG 2.87Å; G76-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.92Å; S79-D81 PolarHBondContact O-N 2.71Å
80	C	29.9	Very low	39.9	Very low	77 Å²	77	65.3 Å²	65.3	52%	0.52	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	73.5	-169.4	63.2	0	0	0	0	114.7	Q78 K399	Q78-C80 PolarHBondContact O-N 3.28Å; C80-K399 PolarHBondContact SG-NZ 3.35Å
81	D	38.1	Very low	39.2	Very low	116 Å²	116	65.8 Å²	65.8	62%	0.62	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.9	-4.9	142.1	-106.9	-16.7	0	0	0	114.3	Q22 S79	Q22-D81 PolarHBondContact NE2-OD1 3.09Å; S79-D81 PolarHBondContact O-N 2.71Å
82	T	32.6	Very low	38.6	Very low	108 Å²	108	69.4 Å²	69.4	66%	0.663	40%	0.401	S	S	*	.	S	Bend	trans	-100	132.5	169.4	43.9	0	0	0	0	111.9
83	S	31.5	Very low	37.8	Very low	78 Å²	78	71.9 Å²	71.9	55%	0.545	42%	0.415	S	S	.	.			trans	-65.2	154.1	165.9	27.7	0	0	0	0	110.5	P85 F88	S83-P85 VanDerWaalsContact O-N 3.15Å; S83-F88 WeakPolarHBondContact OG-CE2 3.01Å
84	N	40.9	Very low	37.1	Very low	55 Å²	55	78 Å²	78	29%	0.294	44%	0.438	S	S	.	.			trans	-38.4	116.5	-176.7	166.2	34.6	0	0	0	112.2	D86 D87	N84-D86 PolarHBondContact O-N 3.16Å; N84-D86 PolarHBondContact OD1-N 2.76Å; N84-D87 WeakPolarHBondContact CB-OD2 3.13Å; N84-D87 PolarHBondContact ND2-OD1 3.24Å; N84-D87 PolarHBondContact ND2-OD2 3Å; N84-D87 PolarHBondContact O-N 3.21Å
85	P	36	Very low	36.5	Very low	29 Å²	29	80 Å²	80	19%	0.188	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10	-172.1	25.2	-34.3	0	0	0	113.9	S83	S83-P85 VanDerWaalsContact O-N 3.15Å
86	D	44.9	Very low	35.8	Very low	40 Å²	40	84.7 Å²	84.7	21%	0.214	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-14.6	171.8	-80.5	-46	0	0	0	114.8	N84 K471 R490	N84-D86 PolarHBondContact O-N 3.16Å; N84-D86 PolarHBondContact OD1-N 2.76Å; D86-K471 IonicContact OD2-NZ 3.1Å; D86-K471 PolarHBondContact OD2-NZ 3.2Å; D86-R490 IonicContact OD1-CZ 2.88Å; D86-R490 IonicContact OD1-NH1 3.79Å; D86-R490 PolarHBondContact OD1-NH1 3.28Å; D86-R490 IonicContact OD1-NH2 2.74Å; D86-R490 PolarHBondContact OD1-NH2 2.59Å; D86-R490 IonicContact OD2-NH1 3.97Å
87	D	43.4	Very low	35.2	Very low	109 Å²	109	89.7 Å²	89.7	58%	0.583	50%	0.497	S	S	*	.	S	Bend	trans	-90.9	-4.3	-175	-66.1	-34.2	0	0	0	114.2	N84	N84-D87 WeakPolarHBondContact CB-OD2 3.13Å; N84-D87 PolarHBondContact ND2-OD1 3.24Å; N84-D87 PolarHBondContact ND2-OD2 3Å; N84-D87 PolarHBondContact O-N 3.21Å
88	F	37.3	Very low	35.2	Very low	105 Å²	105	88.8 Å²	88.8	46%	0.461	49%	0.49	S	S	.	.			trans	-124.4	100.9	-176.4	-72.3	-83.9	0	0	0	112.7	S83 T90 S91	S83-F88 WeakPolarHBondContact OG-CE2 3.01Å; F88-T90 PolarHBondContact O-N 3.46Å; F88-S91 WeakPolarHBondContact CB-OG 3.4Å; F88-S91 PolarHBondContact O-N 3.44Å
89	P	41.4	Very low	34.9	Very low	122 Å²	122	91.5 Å²	91.5	79%	0.792	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	19.2	-177.1	32.4	-37.4	0	0	0	114.6
90	T	37.6	Very low	35	Very low	108 Å²	108	91.6 Å²	91.6	66%	0.663	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	22.6	179.7	55	0	0	0	0	113.1	F88	F88-T90 PolarHBondContact O-N 3.46Å
91	S	32.2	Very low	35.1	Very low	63 Å²	63	97 Å²	97	44%	0.441	52%	0.519	S	S	.	.			trans	-90.1	115.7	169.4	-66.6	0	0	0	0	110	F88 I93	F88-S91 WeakPolarHBondContact CB-OG 3.4Å; F88-S91 PolarHBondContact O-N 3.44Å; S91-I93 PolarHBondContact O-N 2.9Å; S91-I93 VanDerWaalsContact O-N 3.1Å
92	E	29.9	Very low	34.8	Very low	176 Å²	176	95.6 Å²	95.6	82%	0.822	52%	0.517	S	S	*	.			trans	-77.3	93.5	175.2	-171.8	167	-140.1	0	0	109.3	Q94	E92-Q94 PolarHBondContact O-N 3Å; E92-Q94 VanDerWaalsContact O-N 3.08Å
93	I	31.7	Very low	35	Very low	67 Å²	67	96.6 Å²	96.6	34%	0.344	52%	0.523	S	S	.	.			trans	-72.4	101.3	-177.3	-58	177.1	0	0	0	109.3	S91 V95	S91-I93 PolarHBondContact O-N 2.9Å; S91-I93 VanDerWaalsContact O-N 3.1Å; I93-V95 PolarHBondContact O-N 3.39Å
94	Q	27.3	Very low	35.2	Very low	163 Å²	163	98.5 Å²	98.5	76%	0.762	53%	0.533	S	S	*	.			trans	-71.9	107.2	172.8	-66.4	-174.3	-1.2	0	0	110.3	E92 I96	E92-Q94 PolarHBondContact O-N 3Å; E92-Q94 VanDerWaalsContact O-N 3.08Å; Q94-I96 PolarHBondContact O-N 3Å
95	V	30.7	Very low	34.8	Very low	61 Å²	61	104.3 Å²	104.3	37%	0.37	56%	0.564	S	S	.	*			trans	-81	104.2	170.4	178.7	0	0	0	0	108.5	Y72 I93 H97 T466 Q467	Y72-V95 HydrophobicContact CE1-CG1 4.28Å; I93-V95 PolarHBondContact O-N 3.39Å; V95-H97 PolarHBondContact O-N 2.91Å; V95-T466 WeakPolarHBondContact CG1-O 3.45Å; V95-Q467 HydrophobicContact CG2-CG 4.31Å
96	I	31	Very low	34.6	Very low	130 Å²	130	106.3 Å²	106.3	67%	0.667	59%	0.589	S	S	*	*			trans	-75.9	107.2	174.9	-57	177	0	0	0	108.7	Q94 V98	Q94-I96 PolarHBondContact O-N 3Å; I96-V98 HydrophobicContact CG2-CG2 4.36Å; I96-V98 PolarHBondContact O-N 3.08Å
97	H	32.8	Very low	34.1	Very low	112 Å²	112	112.9 Å²	112.9	52%	0.519	62%	0.619	S	S	.	*			trans	-72.7	114.7	164.1	-93.4	-87.9	0	0	0	109.5	N70 V95 L99	N70-H97 PolarHBondContact OD1-CE1 2.82Å; N70-H97 PolarHBondContact OD1-ND1 3.19Å; V95-H97 PolarHBondContact O-N 2.91Å; H97-L99 PolarHBondContact O-N 3.1Å
98	V	37.5	Very low	33.4	Very low	27 Å²	27	113.8 Å²	113.8	16%	0.164	63%	0.631	C	S	.	*			trans	-86.6	104	172.9	-174.2	0	0	0	0	108.9	I96 T100 T454	I96-V98 HydrophobicContact CG2-CG2 4.36Å; I96-V98 PolarHBondContact O-N 3.08Å; V98-T100 HydrophobicContact CG1-CG2 4.17Å; V98-T454 HydrophobicContact CG2-CG2 3.66Å
99	L	30.8	Very low	33.2	Very low	127 Å²	127	115.4 Å²	115.4	67%	0.665	65%	0.649	S	S	*	*			trans	-91.1	93.5	172.6	-81.5	163.9	0	0	0	110	H97 K101	H97-L99 PolarHBondContact O-N 3.1Å; L99-K101 PolarHBondContact O-N 3.34Å; L99-K101 VanDerWaalsContact O-N 3.14Å
100	T	38.1	Very low	32.6	Very low	51 Å²	51	117.7 Å²	117.7	31%	0.313	65%	0.647	S	S	.	*			trans	-72.4	98	174.9	50.7	0	0	0	0	110.7	V98	V98-T100 HydrophobicContact CG1-CG2 4.17Å
101	K	32.5	Very low	32.5	Very low	189 Å²	189	119.9 Å²	119.9	82%	0.822	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-57.9	133.4	176.8	-71.2	-177.2	179.6	177.1	0	111	L99 T103	L99-K101 PolarHBondContact O-N 3.34Å; L99-K101 VanDerWaalsContact O-N 3.14Å; K101-T103 PolarHBondContact O-N 2.9Å
102	P	31.9	Very low	32.4	Very low	87 Å²	87	123.6 Å²	123.6	57%	0.565	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.1	116.9	174.9	-21.3	31.6	0	0	0	111.6	T66	T66-P102 HydrophobicContact CG2-CB 4.35Å; T66-P102 HydrophobicContact CG2-CG 3.8Å
103	T	35	Very low	32.5	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-74.5	125.8	169.5	-61.5	0	0	0	0	109.1	K101 L105	K101-T103 PolarHBondContact O-N 2.9Å; T103-L105 PolarHBondContact O-N 2.94Å
104	P	35.8	Very low	32.3	Very low	117 Å²	117	124.6 Å²	124.6	76%	0.76	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-69.1	132.9	-177.9	27.3	-34.1	0	0	0	111.8	G106	P104-G106 PolarHBondContact O-N 3.23Å; P104-G106 VanDerWaalsContact O-N 3.1Å
105	L	32.3	Very low	32.5	Very low	177 Å²	177	126.6 Å²	126.6	93%	0.927	69%	0.693	S	S	*	*			trans	-66.2	104.1	174.9	-84.9	156.5	0	0	0	111	T103	T103-L105 PolarHBondContact O-N 2.94Å
106	G	33.7	Very low	32.3	Very low	71 Å²	71	135 Å²	135	73%	0.732	72%	0.718	S	S	*	*			trans	-69.8	131.9	168.3	0	0	0	0	0	111.3	P104	P104-G106 PolarHBondContact O-N 3.23Å; P104-G106 VanDerWaalsContact O-N 3.1Å
107	Q	32.4	Very low	32.2	Very low	178 Å²	178	139 Å²	139	83%	0.832	73%	0.73	S	S	*	*			trans	-72.3	143.9	-179.3	-63.7	171.4	-59.1	0	0	111.7	T109	Q107-T109 PolarHBondContact O-N 2.92Å
108	P	29.9	Very low	32.1	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	74%	0.737	S	S	*	*			trans	-76.3	104.9	173.2	30.4	-32.6	0	0	0	110.7	F110	P108-F110 PolarHBondContact O-N 3.49Å
109	T	33.8	Very low	31.9	Very low	138 Å²	138	144 Å²	144	85%	0.847	77%	0.768	S	S	*	*			trans	-73.4	108.6	167.6	48.6	0	0	0	0	109.8	Q107	Q107-T109 PolarHBondContact O-N 2.92Å
110	F	27.9	Very low	31.8	Very low	171 Å²	171	143.5 Å²	143.5	75%	0.75	77%	0.773	S	S	*	*			trans	-76.9	120.1	176.1	-176.3	-87.2	0	0	0	109.9	P108 Q112	P108-F110 PolarHBondContact O-N 3.49Å; F110-Q112 HydrophobicContact CD1-CG 4.42Å; F110-Q112 HydrophobicContact CE1-CG 3.68Å; F110-Q112 HydrophobicContact CZ-CG 3.99Å; F110-Q112 VanDerWaalsContact CZ-NE2 3.31Å
111	D	34.5	Very low	31.6	Very low	154 Å²	154	150.1 Å²	150.1	82%	0.824	80%	0.801	S	S	*	*			trans	-139.2	130.3	169.7	-140.5	-23.7	0	0	0	110.8
112	Q	30.3	Very low	31.4	Very low	141 Å²	141	146.8 Å²	146.8	66%	0.659	80%	0.796	S	S	*	*			trans	-105.7	126.6	-176.2	-73.9	-175.1	-6.8	0	0	110.1	F110	F110-Q112 HydrophobicContact CD1-CG 4.42Å; F110-Q112 HydrophobicContact CE1-CG 3.68Å; F110-Q112 HydrophobicContact CZ-CG 3.99Å; F110-Q112 VanDerWaalsContact CZ-NE2 3.31Å
113	T	32.8	Very low	31.6	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	81%	0.809	S	S	*	*			trans	-145.8	104.7	155.8	-30.1	0	0	0	0	112
114	V	27.3	Very low	31.4	Very low	127 Å²	127	151.9 Å²	151.9	77%	0.77	81%	0.806	S	S	*	*			trans	-78.3	129.4	176.7	175.7	0	0	0	0	110.4
115	K	32.4	Very low	31.4	Very low	205 Å²	205	152.7 Å²	152.7	89%	0.891	81%	0.805	S	S	*	*			trans	-149.7	109.6	157	-110.4	164	-172.4	172	0	111.4
116	R	24.7	Very low	31.6	Very low	239 Å²	239	150.9 Å²	150.9	90%	0.902	80%	0.796	S	S	*	*			trans	-86.1	143.2	168.2	-71.1	175.4	169.9	167	-4.9	110.1
117	K	30.9	Very low	31.7	Very low	213 Å²	213	153.1 Å²	153.1	93%	0.926	80%	0.795	S	S	*	*			trans	-160.6	172.2	138.4	-113.7	175.7	-177.6	-173.7	0	110.5
118	S	30.5	Very low	31.9	Very low	96 Å²	96	150.8 Å²	150.8	67%	0.671	79%	0.792	S	S	*	*			trans	-143.2	-178.7	-155.6	61.7	0	0	0	0	113.1
119	N	33	Very low	32.2	Very low	149 Å²	149	151 Å²	151	80%	0.797	79%	0.787	S	S	*	*			trans	83.5	126.7	174.5	-48.7	8.4	0	0	0	112.1
120	C	28.2	Very low	32.3	Very low	115 Å²	115	149.6 Å²	149.6	78%	0.777	78%	0.782	S	S	*	*			cis	97.2	113.2	30.5	-174.4	0	0	0	0	112.1
121	E	33.8	Very low	32.7	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	79%	0.786	S	S	*	*			trans	-156.4	155.1	158.1	-131.4	161.9	-141.2	0	0	109.9
122	V	28.5	Very low	32.7	Very low	119 Å²	119	143.8 Å²	143.8	72%	0.721	78%	0.778	S	S	*	*			trans	-139.3	133.9	-173.3	171.9	0	0	0	0	108.8
123	I	36.2	Very low	32.9	Very low	164 Å²	164	147.7 Å²	147.7	84%	0.841	79%	0.788	S	S	*	*			trans	-134.7	132.6	167.1	-63.9	-177.4	0	0	0	108.4
124	Q	30.3	Very low	33	Very low	159 Å²	159	148.8 Å²	148.8	74%	0.743	78%	0.782	S	S	*	*			trans	-94.3	164.6	172.3	-61.5	169.7	-106.6	0	0	109.3
125	D	36.3	Very low	33.2	Very low	135 Å²	135	147.3 Å²	147.3	72%	0.722	78%	0.777	S	S	*	*				174.3	148.2	118.6	-94.9	-2.4	0	0	0	115
126	N	35.9	Very low	33.2	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	78%	0.776	S	S	*	*			trans	64	152	155.2	-59.6	-37	0	0	0	121.3
127	V	36	Very low	33.5	Very low	118 Å²	118	142 Å²	142	72%	0.715	78%	0.776	S	S	*	*			cis	165.9	122.7	-44.5	147.4	0	0	0	0	108.3
128	V	37.7	Very low	33.6	Very low	128 Å²	128	135.5 Å²	135.5	78%	0.776	77%	0.77	S	S	*	*			trans	67.9	149.4	158.8	165.7	0	0	0	0	115.6
129	D	36	Very low	33.5	Very low	134 Å²	134	139 Å²	139	72%	0.717	78%	0.78	S	S	*	*			cis	-143.6	164.8	17.1	-151	-2.3	0	0	0	116.1
130	S	35.3	Very low	33.6	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	78%	0.783	S	S	*	*			trans	8.1	146.1	151.2	-62.5	0	0	0	0	123.9
131	G	36.6	Very low	33.5	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	78%	0.783	S	S	*	*			trans	-174	65.5	169.7	0	0	0	0	0	114.8
132	D	33.5	Very low	33.4	Very low	122 Å²	122	140 Å²	140	65%	0.652	78%	0.783	S	S	*	*			trans	-86.7	126.2	-165.7	-146.8	14.7	0	0	0	115
133	Y	35.5	Very low	33.1	Very low	223 Å²	223	139.9 Å²	139.9	88%	0.875	78%	0.783	S	S	*	*			trans	-160	106.1	156.4	-85.4	-72.3	0	0	0	107.6
134	K	34.8	Very low	32.7	Very low	160 Å²	160	139.4 Å²	139.4	70%	0.696	78%	0.78	S	S	*	*				44.8	132.3	66.9	-66.4	-178.6	-177.9	168.2	0	114.4
135	S	30.8	Very low	32.5	Very low	96 Å²	96	137 Å²	137	67%	0.671	78%	0.776	S	S	*	*			cis	178.8	145	-14.8	43.7	0	0	0	0	107.5
136	N	32.4	Very low	31.9	Very low	164 Å²	164	141.2 Å²	141.2	88%	0.877	78%	0.782	S	S	*	*			trans	-172.2	142.1	146.7	-105.3	-12.4	0	0	0	113.2
137	D	32.1	Very low	31.6	Very low	167 Å²	167	140 Å²	140	89%	0.893	79%	0.785	S	S	*	*			trans	-77.6	162.4	176	-59.3	-81.4	0	0	0	113.1
138	G	31.3	Very low	31.2	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	79%	0.789	S	S	*	*			trans	-162.5	25.6	-175.4	0	0	0	0	0	115.8	N140	G138-N140 PolarHBondContact O-N 3.35Å
139	L	30.3	Very low	30.9	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	79%	0.794	S	S	*	*			trans	-71.6	113.2	175.3	-168.7	85.6	0	0	0	110.1
140	N	33.1	Very low	30.5	Very low	158 Å²	158	142.3 Å²	142.3	85%	0.845	80%	0.8	S	S	*	*			trans	-165.5	153.7	157.7	-107.6	-46.2	0	0	0	114	G138	G138-N140 PolarHBondContact O-N 3.35Å
141	N	27	Very low	30.2	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	81%	0.809	S	S	*	*			trans	-74	147	-178.7	-61.5	-62.6	0	0	0	112.4
142	L	31.1	Very low	29.7	Very low	173 Å²	173	146.3 Å²	146.3	91%	0.906	80%	0.8	S	S	*	*			trans	-141.2	100.7	158.9	-144.3	77.1	0	0	0	112.5
143	T	23.3	Very low	29.4	Very low	116 Å²	116	145.3 Å²	145.3	71%	0.712	80%	0.802	S	S	*	*			trans	-66.1	-179.7	157.6	-38.3	0	0	0	0	109.7
144	I	26.4	Very low	29.5	Very low	153 Å²	153	141 Å²	141	79%	0.785	79%	0.794	S	S	*	*			trans	76.5	133	165.4	-61.7	163.6	0	0	0	114
145	T	26.7	Very low	29.4	Very low	108 Å²	108	140.2 Å²	140.2	66%	0.663	80%	0.797	S	S	*	*			cis	-163.4	151.5	-9.6	-102.8	0	0	0	0	112
146	R	24.8	Very low	29.5	Very low	224 Å²	224	142.9 Å²	142.9	85%	0.845	80%	0.799	S	S	*	*			trans	12	126.3	157.3	-54.3	160	85.7	172.6	7.4	119.8
147	S	29.1	Very low	29.5	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	79%	0.79	S	S	*	*			trans	-166	82.9	137.4	-77.8	0	0	0	0	109.4
148	S	27.2	Very low	29.9	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	77%	0.773	S	S	*	*				74.3	74.1	85.1	73.6	0	0	0	0	115.3
149	T	31.4	Very low	30.1	Very low	145 Å²	145	142.7 Å²	142.7	89%	0.89	78%	0.775	S	S	*	*			trans	-126.4	129.8	149.1	-42.7	0	0	0	0	107.3
150	M	26.9	Very low	30.2	Very low	170 Å²	170	142.1 Å²	142.1	84%	0.837	77%	0.772	S	S	*	*			trans	-82	130.3	-174.1	-62.7	-90.4	-84.7	0	0	110.8
151	L	29.3	Very low	30.2	Very low	179 Å²	179	140.5 Å²	140.5	94%	0.937	76%	0.763	S	S	*	*			trans	-170.1	77.9	147.4	-106.1	170.2	0	0	0	108.4
152	S	27	Very low	30.3	Very low	93 Å²	93	139 Å²	139	65%	0.65	76%	0.764	S	S	*	*			trans	-90.8	143	177.4	50.9	0	0	0	0	111.4
153	S	26.9	Very low	30.4	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	76%	0.756	S	S	*	*			trans	43.5	102.9	152.1	60.3	0	0	0	0	117.9
154	L	37.1	Very low	30.7	Very low	132 Å²	132	140.4 Å²	140.4	69%	0.691	76%	0.763	S	S	*	*			trans	-138.2	39.7	157.3	-147	74.6	0	0	0	113.3	Q156	L154-Q156 PolarHBondContact O-N 3.24Å; L154-Q156 VanDerWaalsContact O-N 3.08Å
155	D	34.1	Very low	30.9	Very low	144 Å²	144	141.2 Å²	141.2	77%	0.77	77%	0.769	S	S	*	*			trans	-77.4	71.4	158.3	-68.7	-71.1	0	0	0	109.1
156	Q	32.9	Very low	31.1	Very low	152 Å²	152	140.6 Å²	140.6	71%	0.71	77%	0.769	S	S	*	*			trans	-137.1	5.9	177.8	-75.6	-161.8	-27.6	0	0	115.1	L154 T158	L154-Q156 PolarHBondContact O-N 3.24Å; L154-Q156 VanDerWaalsContact O-N 3.08Å; Q156-T158 PolarHBondContact O-N 2.82Å
157	D	31.2	Very low	31.5	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	46.5	-171.8	-75.9	-42.2	0	0	0	115.2
158	T	40.1	Very low	31.5	Very low	88 Å²	88	135.2 Å²	135.2	54%	0.54	76%	0.764	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.4	4.7	169.7	-20.7	0	0	0	0	114.1	Q156 T426	Q156-T158 PolarHBondContact O-N 2.82Å; T158-T426 HydrophobicContact CG2-CG2 4.18Å
159	F	35.9	Very low	31.9	Very low	189 Å²	189	138.2 Å²	138.2	83%	0.829	77%	0.766	S	S	*	*	S	Bend	trans	-122.9	9.9	-172.2	-117.6	-94.4	0	0	0	115.5
160	L	33.6	Very low	31.9	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	76%	0.763	S	S	*	*	S	Bend	trans	-133.3	51.3	-173.7	-78.3	171.6	0	0	0	114.2
161	D	32.2	Very low	32.2	Very low	124 Å²	124	140.6 Å²	140.6	66%	0.663	76%	0.762	S	S	*	*			trans	-149.2	51.3	161.6	-153.8	-2.2	0	0	0	111.6	R339	D161-R339 IonicContact OD2-NH1 2.69Å
162	S	29.3	Very low	32.2	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	76%	0.758	S	S	*	*			trans	-123.2	25	-177.4	-62.3	0	0	0	0	113.1
163	T	33.1	Very low	32.5	Very low	122 Å²	122	147.5 Å²	147.5	75%	0.748	77%	0.769	S	S	*	*	S	Bend	trans	-122.8	87.7	-171.6	48.9	0	0	0	0	113.1	D165	T163-D165 PolarHBondContact O-N 3.29Å
164	K	30.6	Very low	32.7	Very low	196 Å²	196	149.1 Å²	149.1	85%	0.852	77%	0.77	S	S	*	*			trans	27.2	82.8	148.2	-59.2	177.8	-178.1	176.2	0	116.8	S166	K164-S166 VanDerWaalsContact C-N 3.31Å; K164-S166 PolarHBondContact O-N 3.06Å
165	D	30.4	Very low	32.6	Very low	171 Å²	171	152.8 Å²	152.8	91%	0.914	78%	0.781	S	S	*	*			trans	-80.6	81.9	163.3	-162.1	6.6	0	0	0	109.5	T163	T163-D165 PolarHBondContact O-N 3.29Å
166	S	30.5	Very low	32.3	Very low	94 Å²	94	153.1 Å²	153.1	66%	0.657	78%	0.782	S	S	*	*			trans	-152.8	87.1	177.9	65.8	0	0	0	0	110.8	K164	K164-S166 VanDerWaalsContact C-N 3.31Å; K164-S166 PolarHBondContact O-N 3.06Å
167	G	32.9	Very low	32.3	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	79%	0.789	S	S	*	*			trans	-161.1	121.3	173.5	0	0	0	0	0	110.3
168	D	29.7	Very low	32.2	Very low	157 Å²	157	153.1 Å²	153.1	84%	0.84	80%	0.796	S	S	*	*			trans	-76.3	160.7	174.4	-54.7	-86.3	0	0	0	110.9
169	E	35.5	Very low	31.8	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	81%	0.81	S	S	*	*				174.4	157.7	112.3	-94.4	-173	-172.7	0	0	112.8
170	N	31	Very low	31.5	Very low	155 Å²	155	154.6 Å²	154.6	83%	0.829	81%	0.812	S	S	*	*			trans	-88.2	138.3	-178.1	-66	-72	0	0	0	111.8
171	Y	33.3	Very low	31.5	Very low	210 Å²	210	153.1 Å²	153.1	82%	0.824	82%	0.815	S	S	*	*			trans	-139.6	94.9	158.8	-96.3	-80.5	0	0	0	112.1
172	E	29.9	Very low	31.4	Very low	183 Å²	183	150.9 Å²	150.9	86%	0.855	82%	0.821	S	S	*	*			trans	-78	133.3	156.8	-70.8	-168	129.6	0	0	110.1
173	R	33.4	Very low	31.4	Very low	233 Å²	233	155.6 Å²	155.6	88%	0.879	83%	0.827	S	S	*	*			trans	-152.6	117.1	149.5	-168.4	159	-72.3	-166.3	-2.2	111.9
174	N	29.4	Very low	31.2	Very low	135 Å²	135	157.9 Å²	157.9	72%	0.722	83%	0.832	S	S	*	*			trans	-56.4	144.2	177.8	-65.7	-39.7	0	0	0	113.5
175	K	35.1	Very low	31	Very low	210 Å²	210	155.6 Å²	155.6	91%	0.913	83%	0.827	S	S	*	*			trans	-139.1	118.1	136.6	-77	-160.8	175.5	-176.1	0	110
176	N	28.3	Very low	30.9	Very low	150 Å²	150	156.8 Å²	156.8	80%	0.802	83%	0.827	S	S	*	*			trans	-77.3	143.3	169.9	-62.6	-7.4	0	0	0	109.7
177	A	33.9	Very low	30.6	Very low	103 Å²	103	161.3 Å²	161.3	85%	0.851	84%	0.835	S	S	*	*			trans	-152.7	130.9	153.3	0	0	0	0	0	107.8
178	E	28.1	Very low	30.4	Very low	179 Å²	179	167.1 Å²	167.1	84%	0.836	84%	0.844	S	S	*	*			trans	-94.4	146.2	-170.5	-61.8	152.2	123.1	0	0	112.2
179	S	32.4	Very low	30.2	Very low	119 Å²	119	165.7 Å²	165.7	83%	0.832	84%	0.84	S	S	*	*			trans	-159.2	120.4	150.8	58.3	0	0	0	0	110.2
180	H	29.5	Very low	29.9	Very low	188 Å²	188	163.5 Å²	163.5	87%	0.87	84%	0.839	S	S	*	*			trans	-79.9	134.5	-178	-72.6	-103.1	0	0	0	112.8
181	S	33.8	Very low	29.9	Very low	126 Å²	126	165.2 Å²	165.2	88%	0.881	84%	0.839	S	S	*	*			trans	-150.1	143.6	131.6	63.7	0	0	0	0	108.5
182	G	28.6	Very low	29.6	Very low	77 Å²	77	162.1 Å²	162.1	79%	0.794	84%	0.835	S	S	*	*			trans	-145.1	158.6	-171.9	0	0	0	0	0	112.9
183	F	30.5	Very low	29.7	Very low	213 Å²	213	159 Å²	159	93%	0.934	83%	0.831	S	S	*	*			trans	-144.1	155.6	162.9	-155.9	-99.4	0	0	0	110.8
184	M	28.8	Very low	29.5	Very low	171 Å²	171	154.5 Å²	154.5	84%	0.842	82%	0.824	S	S	*	*			trans	-89.7	148.7	-162.5	-94.9	-175.1	167.8	0	0	115.9
185	I	25.6	Very low	29.7	Very low	147 Å²	147	155.5 Å²	155.5	75%	0.754	83%	0.83	S	S	*	*			trans	-41.1	140.3	162	-61.5	153.5	0	0	0	113.2
186	Q	28.5	Very low	29.8	Very low	197 Å²	197	150 Å²	150	92%	0.921	82%	0.815	S	S	*	*			trans	-140.8	115.4	130.6	-110.1	177.6	15	0	0	110.7
187	K	25.4	Very low	29.9	Very low	189 Å²	189	148.3 Å²	148.3	82%	0.822	82%	0.815	S	S	*	*			trans	-90.6	138.2	163.2	-77.2	-177.9	175.2	179.4	0	107.8
188	Q	28.5	Very low	29.8	Very low	191 Å²	191	147.8 Å²	147.8	89%	0.893	81%	0.805	S	S	*	*			trans	-117.2	128.5	163.3	-141.9	172.2	11.9	0	0	109
189	V	25	Very low	30	Very low	126 Å²	126	146.7 Å²	146.7	76%	0.764	80%	0.8	S	S	*	*			trans	-112.8	130.1	177.2	174.4	0	0	0	0	107.1
190	V	29.7	Very low	29.8	Very low	132 Å²	132	147.9 Å²	147.9	80%	0.8	80%	0.796	S	S	*	*			trans	-120.2	138.9	172.1	-178.1	0	0	0	0	108.1
191	K	29.9	Very low	29.9	Very low	191 Å²	191	146.8 Å²	146.8	83%	0.83	79%	0.791	S	S	*	*			trans	-92.2	153.3	-173.8	-69.6	-178.3	175.1	-177.8	0	112.3
192	I	26.8	Very low	29.6	Very low	145 Å²	145	149.6 Å²	149.6	74%	0.744	79%	0.787	S	S	*	*			trans	-83.8	149.2	164	-60.4	163.7	0	0	0	109.2
193	P	32.3	Very low	29.8	Very low	117 Å²	117	153.1 Å²	153.1	76%	0.76	79%	0.788	S	S	*	*			trans	-124.3	161.5	143.7	36.7	-26.8	0	0	0	112.4
194	D	30.2	Very low	29.5	Very low	139 Å²	139	147.7 Å²	147.7	74%	0.743	78%	0.776	S	S	*	*			trans	-111.7	155.1	-154.1	-47.4	-87.4	0	0	0	117.1
195	N	33	Very low	29.6	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	78%	0.78	S	S	*	*			trans	66	175.6	147	-112	-7.8	0	0	0	119.4
196	P	37.2	Very low	29.6	Very low	93 Å²	93	149 Å²	149	60%	0.604	78%	0.781	S	S	*	*			cis	-130.6	166.6	-33.6	28.5	-9.9	0	0	0	115
197	S	30.2	Very low	29.7	Very low	115 Å²	115	145.6 Å²	145.6	80%	0.804	77%	0.774	S	S	*	*			trans	68.4	153.7	154.8	77.3	0	0	0	0	118
198	S	32.8	Very low	29.8	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	77%	0.77	S	S	*	*			cis	-165.6	169.3	29.1	58.5	0	0	0	0	113.7
199	H	31.3	Very low	29.9	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.727	76%	0.763	S	S	*	*			trans	51.2	117.7	158.2	-63.1	-56.8	0	0	0	121.6
200	L	28.7	Very low	30	Very low	144 Å²	144	140 Å²	140	75%	0.754	76%	0.764	S	S	*	*				60.8	122.4	101.8	-61.1	171.8	0	0	0	114.2
201	H	31.2	Very low	30	Very low	164 Å²	164	143.5 Å²	143.5	76%	0.759	77%	0.768	S	S	*	*				-150.3	162.1	54.2	-127.3	-99.3	0	0	0	113.6
202	K	26.8	Very low	29.9	Very low	185 Å²	185	139 Å²	139	80%	0.804	77%	0.766	S	S	*	*			trans	-89.4	149.9	152.7	-70.4	-179.5	177.4	-179.5	0	108.4
203	D	32.5	Very low	30.2	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	77%	0.77	S	S	*	*			trans	-158.6	162.9	134.2	-99.4	-41.7	0	0	0	111.3
204	S	25.5	Very low	30.1	Very low	98 Å²	98	145.6 Å²	145.6	69%	0.685	77%	0.774	S	S	*	*			trans	-122.3	135.3	-160.8	-46.7	0	0	0	0	112.3
205	Y	30.7	Very low	30.3	Very low	235 Å²	235	145.8 Å²	145.8	92%	0.922	78%	0.775	S	S	*	*			trans	-137.8	122.2	161.9	-85.8	-73.2	0	0	0	112.7
206	S	26.4	Very low	30.2	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	77%	0.768	S	S	*	*			trans	-103.3	129.5	172.7	55.1	0	0	0	0	110.2
207	T	29.8	Very low	30.5	Very low	126 Å²	126	148.9 Å²	148.9	77%	0.773	78%	0.78	S	S	*	*			trans	-130.1	109.4	169.3	-54.8	0	0	0	0	109.3	T209	T207-T209 HydrophobicContact CG2-CG2 4.42Å
208	V	26.7	Very low	30.5	Very low	122 Å²	122	150 Å²	150	74%	0.739	78%	0.777	S	S	*	*			trans	-112	121.1	170.9	177.5	0	0	0	0	107.7
209	T	30.4	Very low	30.7	Very low	122 Å²	122	151.1 Å²	151.1	75%	0.748	79%	0.785	S	S	*	*			trans	-114.6	88.7	176.7	39	0	0	0	0	110.5	T207	T207-T209 HydrophobicContact CG2-CG2 4.42Å
210	N	27	Very low	30.9	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	79%	0.786	S	S	*	*			trans	-72.4	133.9	168.3	-73.6	-13.2	0	0	0	110.3
211	F	30	Very low	31.1	Very low	205 Å²	205	149.7 Å²	149.7	90%	0.899	79%	0.789	S	S	*	*			trans	-119.1	99.6	162	-107.6	-84.9	0	0	0	109
212	A	28.6	Very low	31.3	Very low	95 Å²	95	145.6 Å²	145.6	79%	0.785	79%	0.79	S	S	*	*			trans	-109.9	141.3	166.6	0	0	0	0	0	108.5
213	K	32	Very low	31.5	Very low	191 Å²	191	144.4 Å²	144.4	83%	0.83	79%	0.793	S	S	*	*			trans	-144.5	110.6	-179.7	-150.9	176.6	-174.5	-174.5	0	110.4
214	Y	30.4	Very low	31.8	Very low	211 Å²	211	145.4 Å²	145.4	83%	0.827	80%	0.798	S	S	*	*			trans	24.7	130.3	137.5	-74.5	-85.5	0	0	0	117.8
215	N	35	Very low	32.2	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	80%	0.799	S	S	*	*			cis	-147.5	169.7	48.1	-103.4	-12.8	0	0	0	114.4
216	D	30.4	Very low	32.9	Very low	130 Å²	130	141.2 Å²	141.2	70%	0.695	80%	0.796	S	S	*	*			trans	-135.6	127.7	173.8	175.3	26.9	0	0	0	108.3
217	E	43	Very low	33.5	Very low	183 Å²	183	141 Å²	141	86%	0.855	79%	0.792	S	S	*	*			trans	-143.7	131.4	172.9	-74.6	-166.1	164.2	0	0	110.4
218	N	30.7	Very low	33.8	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	79%	0.794	S	S	*	*			trans	-103.5	147.3	-180	-76	-100.1	0	0	0	110.8
219	S	37.1	Very low	34.1	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	79%	0.79	S	S	*	*			trans	-167	130.4	138	13.3	0	0	0	0	114.8
220	D	36	Very low	34.1	Very low	139 Å²	139	144 Å²	144	74%	0.743	79%	0.787	S	S	*	*			trans	44.8	109.4	142.9	-79.7	-66	0	0	0	125.3
221	T	32.3	Very low	34.3	Very low	132 Å²	132	147 Å²	147	81%	0.81	79%	0.793	S	S	*	*				42.6	123.2	114.8	65.5	0	0	0	0	121
222	G	35.2	Very low	34.3	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	79%	0.786	S	S	*	*			trans	-179.2	77.2	170.3	0	0	0	0	0	114.3
223	N	31.2	Very low	34.5	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	79%	0.786	S	S	*	*			trans	-73.2	137.6	176.2	-69.1	-32.1	0	0	0	112
224	N	38.6	Very low	34.7	Very low	174 Å²	174	140.1 Å²	140.1	93%	0.93	78%	0.777	S	S	*	*				-164.7	156.7	129.7	-98.6	-42.4	0	0	0	110.8
225	A	34.6	Very low	34.9	Very low	84 Å²	84	134.8 Å²	134.8	69%	0.694	77%	0.767	S	S	*	*			trans	-102.4	154.8	-174	0	0	0	0	0	112.4
226	D	45.5	Very low	35.2	Very low	161 Å²	161	135.2 Å²	135.2	86%	0.861	76%	0.764	S	S	*	*				-160.5	157.1	113.4	-104.5	-27.9	0	0	0	111.2
227	P	37.9	Very low	35.6	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	76%	0.758	S	S	*	*			trans	-96.2	157.7	-172.4	37.1	-34.9	0	0	0	113.4
228	V	37.4	Very low	35.6	Very low	133 Å²	133	129.7 Å²	129.7	81%	0.806	74%	0.743	S	S	*	*			trans	-178.5	133	137.4	136.8	0	0	0	0	113.6
229	E	32.7	Very low	36.3	Very low	142 Å²	142	128.7 Å²	128.7	66%	0.664	73%	0.733	S	S	*	*			trans	58.6	129.2	155.5	-72.9	-166.9	162.1	0	0	125.9
230	K	30.2	Very low	36.7	Very low	158 Å²	158	127.7 Å²	127.7	69%	0.687	72%	0.719	S	S	*	*			trans	60.9	95.5	134.6	-62.6	168.9	-170.7	150.8	0	120
231	K	32.2	Very low	37.4	Very low	206 Å²	206	124.1 Å²	124.1	90%	0.896	70%	0.699	S	S	*	*				-176.8	103.3	121.7	-99.5	158.1	-175.1	175.8	0	111.5
232	T	28.2	Very low	38.1	Very low	125 Å²	125	125.4 Å²	125.4	77%	0.767	69%	0.694	S	S	*	*			trans	-97.4	168.7	167	51.2	0	0	0	0	111
233	N	33.3	Very low	38.4	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	69%	0.692	S	S	*	*	S	Bend	trans	78.1	32.3	171.9	-46.2	12	0	0	0	116.8
234	A	36.5	Very low	38.7	Very low	78 Å²	78	125.9 Å²	125.9	65%	0.645	67%	0.669	S	S	*	*	S	Bend	trans	-133.2	-33.5	168.5	0	0	0	0	0	114
235	T	35	Very low	38.5	Very low	100 Å²	100	123.7 Å²	123.7	61%	0.613	66%	0.662	S	S	*	*	S	Bend	trans	-85.2	-20.4	-169.2	-32.3	0	0	0	0	115	S238	T235-S238 PolarHBondContact O-OG 2.85Å
236	Q	40.4	Very low	38.8	Very low	152 Å²	152	122.8 Å²	122.8	71%	0.71	65%	0.654	S	S	*	*	S	Bend	trans	-77.3	-29.9	-175.6	-76.5	-179	-68	0	0	113.7	S238 E239	Q236-S238 PolarHBondContact O-N 3.29Å; Q236-E239 PolarHBondContact O-N 2.82Å
237	E	38.7	Very low	38.4	Very low	120 Å²	120	119.8 Å²	119.8	56%	0.561	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-20.2	-178.1	-62.6	-173.8	167.7	0	0	113.2
238	S	42.9	Very low	38.5	Very low	77 Å²	77	124.1 Å²	124.1	54%	0.538	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-15.7	178.5	40.7	0	0	0	0	114.9	T235 Q236	T235-S238 PolarHBondContact O-OG 2.85Å; Q236-S238 PolarHBondContact O-N 3.29Å
239	E	45.9	Very low	38.6	Very low	117 Å²	117	122.2 Å²	122.2	55%	0.547	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-22	-177	-59.5	-164.8	130.5	0	0	112.9	Q236 L241 K242	Q236-E239 PolarHBondContact O-N 2.82Å; E239-L241 PolarHBondContact O-N 3.29Å; E239-L241 VanDerWaalsContact O-N 3.14Å; E239-K242 VanDerWaalsContact O-CB 3.28Å; E239-K242 WeakPolarHBondContact O-CB 3.46Å; E239-K242 PolarHBondContact O-N 2.82Å
240	D	45.6	Very low	39.3	Very low	95 Å²	95	121.8 Å²	121.8	51%	0.508	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.7	-24	-178	-86.6	-22	0	0	0	114.8	R410	D240-R410 IonicContact OD1-CZ 2.85Å; D240-R410 IonicContact OD1-NH2 2.75Å; D240-R410 PolarHBondContact OD1-NH2 2.96Å; D240-R410 IonicContact OD2-CZ 2.77Å; D240-R410 VanDerWaalsContact OD2-CZ 3.26Å; D240-R410 IonicContact OD2-NH1 2.74Å; D240-R410 PolarHBondContact OD2-NH1 3.17Å; D240-R410 IonicContact OD2-NH2 2.77Å; D240-R410 PolarHBondContact OD2-NH2 2.87Å
241	L	52	Low	40.4	Very low	64 Å²	64	120.2 Å²	120.2	34%	0.335	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	-4	177.3	-83.7	158.6	0	0	0	113.8	E239	E239-L241 PolarHBondContact O-N 3.29Å; E239-L241 VanDerWaalsContact O-N 3.14Å
242	K	47	Very low	41.7	Very low	159 Å²	159	112.2 Å²	112.2	69%	0.691	61%	0.614	S	S	*	*	S	Bend	trans	-105.5	-2.1	-162.2	-152	173.5	-178.3	179.6	0	115.6	E239	E239-K242 VanDerWaalsContact O-CB 3.28Å; E239-K242 WeakPolarHBondContact O-CB 3.46Å; E239-K242 PolarHBondContact O-N 2.82Å
243	Y	39.8	Very low	43.6	Very low	193 Å²	193	110.8 Å²	110.8	76%	0.757	60%	0.601	S	S	*	*			trans	-100.8	158.4	177.9	-87.5	-93.8	0	0	0	112.8	Q268	Y243-Q268 PolarHBondContact O-NE2 2.99Å
244	C	37.4	Very low	45.4	Very low	55 Å²	55	104.9 Å²	104.9	37%	0.372	57%	0.571	S	S	.	*			trans	75.7	45.3	-176	-57	0	0	0	0	116.6	A246 Q268 A413	C244-A246 PolarHBondContact O-N 2.7Å; C244-Q268 VanDerWaalsContact C-OE1 3.32Å; C244-Q268 PolarHBondContact O-OE1 3.36Å; C244-Q268 VanDerWaalsContact O-OE1 3.12Å; C244-A413 PolarHBondContact SG-O 2.97Å
245	V	36.2	Very low	47	Very low	128 Å²	128	105.8 Å²	105.8	78%	0.776	57%	0.568	S	S	*	*			trans	-61.4	91.4	165.1	-177.1	0	0	0	0	110.6
246	A	39.3	Very low	48.9	Very low	64 Å²	64	104.4 Å²	104.4	53%	0.529	57%	0.574	S	S	.	*			trans	-76.9	146.8	167.1	0	0	0	0	0	110.2	C244	C244-A246 PolarHBondContact O-N 2.7Å
247	P	37.5	Very low	50.9	Low	99 Å²	99	100.3 Å²	100.3	64%	0.643	56%	0.557	S	S	*	*			trans	-61.4	140	174.7	26	-33.9	0	0	0	110.9	S249	P247-S249 PolarHBondContact O-N 2.73Å
248	Q	41.2	Very low	53.3	Low	198 Å²	198	96.6 Å²	96.6	93%	0.925	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	19.8	-170	-62.5	173.4	-19.1	0	0	114.9
249	S	37.6	Very low	55.4	Low	92 Å²	92	96 Å²	96	64%	0.643	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-10.1	-167.5	53.9	0	0	0	0	115.3	P247 L251	P247-S249 PolarHBondContact O-N 2.73Å; S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 3.32Å
250	L	48.4	Very low	57.3	Low	133 Å²	133	94.4 Å²	94.4	70%	0.696	52%	0.522	S	S	*	.			trans	-81.7	76.2	170.2	-67.1	-175.3	0	0	0	110.6	L252	L250-L252 WeakPolarHBondContact O-CD1 3.46Å; L250-L252 PolarHBondContact O-N 2.59Å; L250-L252 VanDerWaalsContact O-N 3.08Å
251	L	53	Low	59.4	Low	126 Å²	126	90.2 Å²	90.2	66%	0.66	50%	0.499	S	S	*	.			trans	-66.1	103.3	164.3	-169.3	155.8	0	0	0	107.5	S249 D253	S249-L251 VanDerWaalsContact C-N 3.28Å; S249-L251 PolarHBondContact O-N 3.32Å; L251-D253 PolarHBondContact O-N 3.2Å
252	L	60.7	Low	61.3	Low	38 Å²	38	87.2 Å²	87.2	20%	0.199	48%	0.483	C	S	.	.			trans	-59.1	112.3	179.7	-83.6	72.1	0	0	0	109.4	L250 P254 F261 K264 P267	L250-L252 WeakPolarHBondContact O-CD1 3.46Å; L250-L252 PolarHBondContact O-N 2.59Å; L250-L252 VanDerWaalsContact O-N 3.08Å; L252-P254 WeakPolarHBondContact O-CD 3.46Å; L252-F261 HydrophobicContact CB-CD2 3.8Å; L252-F261 HydrophobicContact CB-CE2 3.63Å; L252-F261 HydrophobicContact CD2-CD2 4.06Å; L252-F261 HydrophobicContact CD2-CE2 4.23Å; L252-K264 HydrophobicContact CD2-CB 4.41Å; L252-K264 HydrophobicContact CD2-CD 3.94Å; L252-K264 HydrophobicContact CD2-CG 4.24Å; L252-P267 HydrophobicContact CD1-CG 3.52Å
253	D	68.2	Low	63.4	Low	94 Å²	94	81.5 Å²	81.5	50%	0.503	46%	0.459	S	S	.	.			trans	-87.3	114.3	173.9	-165.2	-35	0	0	0	109.7	L251 T255 G256	L251-D253 PolarHBondContact O-N 3.2Å; D253-T255 PolarHBondContact O-N 3.25Å; D253-T255 VanDerWaalsContact OD1-CB 3.28Å; D253-T255 WeakPolarHBondContact OD1-CB 3.46Å; D253-T255 WeakPolarHBondContact OD1-CG2 3.37Å; D253-T255 PolarHBondContact OD1-N 3.14Å; D253-T255 PolarHBondContact OD1-OG1 3.39Å; D253-T255 PolarHBondContact OD2-OG1 3.43Å; D253-G256 PolarHBondContact O-N 3.17Å
254	P	70.6	Confident	65.8	Low	20 Å²	20	76.3 Å²	76.3	13%	0.13	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.3	179.8	30.9	-37.2	0	0	0	113.2	L252 G256 F261 L295 F302 L304	L252-P254 WeakPolarHBondContact O-CD 3.46Å; P254-G256 VanDerWaalsContact C-N 3.34Å; P254-F261 HydrophobicContact CB-CD2 3.89Å; P254-F261 HydrophobicContact CB-CE2 4.03Å; P254-F261 HydrophobicContact CB-CG 4.18Å; P254-F261 HydrophobicContact CB-CZ 4.46Å; P254-L295 HydrophobicContact CG-CD2 3.94Å; P254-F302 HydrophobicContact CG-CB 4.23Å; P254-F302 HydrophobicContact CG-CG 4.34Å; P254-L304 HydrophobicContact CB-CD2 4.04Å
255	T	69.8	Low	68.4	Low	98 Å²	98	74.5 Å²	74.5	60%	0.601	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-20.7	-179.6	65	0	0	0	0	113.8	D253 F302	D253-T255 PolarHBondContact O-N 3.25Å; D253-T255 VanDerWaalsContact OD1-CB 3.28Å; D253-T255 WeakPolarHBondContact OD1-CB 3.46Å; D253-T255 WeakPolarHBondContact OD1-CG2 3.37Å; D253-T255 PolarHBondContact OD1-N 3.14Å; D253-T255 PolarHBondContact OD1-OG1 3.39Å; D253-T255 PolarHBondContact OD2-OG1 3.43Å; T255-F302 HydrophobicContact CG2-CE1 4.34Å
256	G	74.3	Confident	71.1	Confident	70 Å²	70	68.5 Å²	68.5	72%	0.722	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-59.4	-178.3	0	0	0	0	0	113.5	D253 P254	D253-G256 PolarHBondContact O-N 3.17Å; P254-G256 VanDerWaalsContact C-N 3.34Å
257	N	83.1	Confident	73.6	Confident	67 Å²	67	67.1 Å²	67.1	36%	0.358	38%	0.378	S	S	.	.			trans	-147.5	98.8	179.1	-176.9	0.4	0	0	0	110.7	E259 E260 F261	N257-E259 VanDerWaalsContact C-N 3.34Å; N257-E259 PolarHBondContact O-N 3.08Å; N257-E259 PolarHBondContact OD1-N 2.68Å; N257-E260 HydrophobicContact CB-CB 4.08Å; N257-E260 VanDerWaalsContact ND2-CB 3.34Å; N257-E260 WeakPolarHBondContact ND2-CB 3.3Å; N257-E260 PolarHBondContact O-N 3.33Å; N257-E260 PolarHBondContact OD1-N 2.95Å; N257-F261 WeakPolarHBondContact O-CB 3.14Å; N257-F261 PolarHBondContact O-N 3.22Å
258	L	88.7	Confident	76	Confident	41 Å²	41	64.7 Å²	64.7	22%	0.215	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-36.5	-179.3	179.2	59.1	0	0	0	112.6	E260 F261 I262 L304 C322	L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 2.75Å; L258-F261 PolarHBondContact O-N 3.17Å; L258-I262 HydrophobicContact CD1-CG2 3.79Å; L258-I262 HydrophobicContact CG-CG2 4.48Å; L258-I262 WeakPolarHBondContact O-CD1 3Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 WeakPolarHBondContact O-CG2 3.4Å; L258-I262 PolarHBondContact O-N 3.39Å; L258-L304 HydrophobicContact CD1-CB 4.44Å; L258-L304 HydrophobicContact CD1-CD2 3.78Å; L258-C322 HydrophobicContact CD2-CB 4.11Å
259	E	86.7	Confident	78.3	Confident	65 Å²	65	58.7 Å²	58.7	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-29.9	-179.2	-56.1	-162.6	148.3	0	0	112.3	N257 M263 L354	N257-E259 VanDerWaalsContact C-N 3.34Å; N257-E259 PolarHBondContact O-N 3.08Å; N257-E259 PolarHBondContact OD1-N 2.68Å; E259-M263 WeakPolarHBondContact O-CG 3.32Å; E259-L354 HydrophobicContact CB-CD1 3.76Å
260	E	86.6	Confident	80.9	Confident	83 Å²	83	57 Å²	57	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-75.2	-48.9	168.9	-177.5	-169.8	153	0	0	111.4	N257 L258 I262 M263 K264 L354	N257-E260 HydrophobicContact CB-CB 4.08Å; N257-E260 VanDerWaalsContact ND2-CB 3.34Å; N257-E260 WeakPolarHBondContact ND2-CB 3.3Å; N257-E260 PolarHBondContact O-N 3.33Å; N257-E260 PolarHBondContact OD1-N 2.95Å; L258-E260 VanDerWaalsContact C-N 3.31Å; L258-E260 PolarHBondContact O-N 2.75Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 3.26Å; E260-M263 PolarHBondContact O-N 3.04Å; E260-M263 VanDerWaalsContact O-N 3.07Å; E260-K264 HydrophobicContact CG-CD 4.31Å; E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 3.39Å; E260-K264 IonicContact OE1-NZ 2.93Å; E260-K264 PolarHBondContact OE1-NZ 2.68Å; E260-L354 HydrophobicContact CB-CD2 4.17Å
261	F	90.2	Very high	83	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-51	-44.9	-176.3	179.3	-79.5	0	0	0	112.6	L252 P254 N257 L258 M263 L295 L304	L252-F261 HydrophobicContact CB-CD2 3.8Å; L252-F261 HydrophobicContact CB-CE2 3.63Å; L252-F261 HydrophobicContact CD2-CD2 4.06Å; L252-F261 HydrophobicContact CD2-CE2 4.23Å; P254-F261 HydrophobicContact CB-CD2 3.89Å; P254-F261 HydrophobicContact CB-CE2 4.03Å; P254-F261 HydrophobicContact CB-CG 4.18Å; P254-F261 HydrophobicContact CB-CZ 4.46Å; N257-F261 WeakPolarHBondContact O-CB 3.14Å; N257-F261 PolarHBondContact O-N 3.22Å; L258-F261 PolarHBondContact O-N 3.17Å; F261-M263 VanDerWaalsContact C-N 3.35Å; F261-M263 PolarHBondContact O-N 2.69Å; F261-L295 HydrophobicContact CZ-CD1 4.42Å; F261-L295 HydrophobicContact CZ-CD2 4.39Å; F261-L304 HydrophobicContact CD1-CD2 3.84Å; F261-L304 HydrophobicContact CE1-CD1 3.89Å; F261-L304 HydrophobicContact CE1-CD2 3.65Å; F261-L304 HydrophobicContact CE1-CG 4.43Å; F261-L304 HydrophobicContact CZ-CD2 4.38Å
262	I	92.1	Very high	85	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-21.3	-175.8	64	-159.2	0	0	0	114.4	L258 E260 L305 C322 T335 C505 A506 L507	L258-I262 HydrophobicContact CD1-CG2 3.79Å; L258-I262 HydrophobicContact CG-CG2 4.48Å; L258-I262 WeakPolarHBondContact O-CD1 3Å; L258-I262 VanDerWaalsContact O-CG1 3.31Å; L258-I262 WeakPolarHBondContact O-CG1 3.04Å; L258-I262 WeakPolarHBondContact O-CG2 3.4Å; L258-I262 PolarHBondContact O-N 3.39Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 3.26Å; I262-L305 HydrophobicContact CB-CD1 4.46Å; I262-L305 HydrophobicContact CD1-CD2 3.9Å; I262-L305 HydrophobicContact CG2-CD1 4.36Å; I262-L305 HydrophobicContact CG2-CD2 4.31Å; I262-L305 HydrophobicContact CG2-CG 4.06Å; I262-C322 WeakPolarHBondContact CD1-SG 3.31Å; I262-T335 HydrophobicContact CD1-CG2 3.49Å; I262-T335 VanDerWaalsContact CD1-CG2 3.49Å; I262-T335 HydrophobicContact CG1-CG2 4.21Å; I262-C505 WeakPolarHBondContact O-CB 3.46Å; I262-C505 PolarHBondContact O-SG 3.18Å; I262-C505 VanDerWaalsContact O-SG 3.42Å; I262-A506 HydrophobicContact CB-CB 4.18Å; I262-A506 HydrophobicContact CG2-CB 4.24Å; I262-A506 PolarHBondContact O-N 2.61Å; I262-L507 PolarHBondContact O-N 3.32Å
263	M	89.7	Confident	86.6	Confident	39 Å²	39	53.5 Å²	53.5	19%	0.192	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-25.6	179.2	-72.5	-64.5	-69.3	0	0	112.6	E259 E260 F261 L386 C505 L507	E259-M263 WeakPolarHBondContact O-CG 3.32Å; E260-M263 PolarHBondContact O-N 3.04Å; E260-M263 VanDerWaalsContact O-N 3.07Å; F261-M263 VanDerWaalsContact C-N 3.35Å; F261-M263 PolarHBondContact O-N 2.69Å; M263-L386 HydrophobicContact CE-CD1 4Å; M263-L386 HydrophobicContact CE-CD2 4.21Å; M263-L386 HydrophobicContact SD-CD1 3.91Å; M263-C505 VanDerWaalsContact O-CB 3.25Å; M263-C505 WeakPolarHBondContact O-CB 3.45Å; M263-L507 HydrophobicContact SD-CD2 3.66Å
264	K	89.9	Confident	88	Confident	85 Å²	85	49 Å²	49	37%	0.37	29%	0.287	S	S	.	.	S	Bend	trans	-71.7	132.2	179.8	-164.9	163	-172.6	166.7	0	110.9	L252 E260 C505	L252-K264 HydrophobicContact CD2-CB 4.41Å; L252-K264 HydrophobicContact CD2-CD 3.94Å; L252-K264 HydrophobicContact CD2-CG 4.24Å; E260-K264 HydrophobicContact CG-CD 4.31Å; E260-K264 WeakPolarHBondContact O-CB 3.34Å; E260-K264 PolarHBondContact O-N 3.39Å; E260-K264 IonicContact OE1-NZ 2.93Å; E260-K264 PolarHBondContact OE1-NZ 2.68Å; K264-C505 WeakPolarHBondContact O-CA 3.28Å; K264-C505 VanDerWaalsContact O-CB 3.25Å; K264-C505 WeakPolarHBondContact O-CB 3.42Å
265	P	92.6	Very high	89.2	Confident	17 Å²	17	51.4 Å²	51.4	11%	0.11	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-57.3	147.1	170	-27.5	36.8	0	0	0	112	L411 F502 M504	P265-L411 HydrophobicContact CB-CD1 4.32Å; P265-L411 HydrophobicContact CG-CD1 4.03Å; P265-L411 HydrophobicContact CG-CD2 3.88Å; P265-F502 HydrophobicContact CB-CD2 4.33Å; P265-M504 WeakPolarHBondContact CA-O 3.49Å
266	A	93.1	Very high	90.4	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.4	145	169.5	0	0	0	0	0	110.8	I272 Y500 F502 M504	A266-I272 HydrophobicContact CB-CG1 3.77Å; A266-Y500 HydrophobicContact CB-CD2 3.97Å; A266-Y500 HydrophobicContact CB-CE2 3.76Å; A266-F502 WeakPolarHBondContact O-CB 3.12Å; A266-F502 WeakPolarHBondContact O-CD2 3.47Å; A266-M504 PolarHBondContact N-O 3.18Å
267	P	91	Very high	91.4	Very high	35 Å²	35	45.6 Å²	45.6	23%	0.227	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.7	146.8	175	-21.8	32.8	0	0	0	112.4	L252 G269 V270	L252-P267 HydrophobicContact CD1-CG 3.52Å; P267-G269 PolarHBondContact O-N 2.92Å; P267-V270 HydrophobicContact CB-CB 4.08Å; P267-V270 HydrophobicContact CB-CG2 3.92Å; P267-V270 HydrophobicContact CG-CB 4.4Å; P267-V270 HydrophobicContact CG-CG2 4.46Å; P267-V270 PolarHBondContact O-N 2.68Å; P267-V270 VanDerWaalsContact O-N 3.08Å
268	Q	88.7	Confident	91.9	Very high	48 Å²	48	44.2 Å²	44.2	22%	0.224	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	136	173.8	-70.7	-177.1	-1.8	0	0	110.8	Y243 C244 V270 F502	Y243-Q268 PolarHBondContact O-NE2 2.99Å; C244-Q268 VanDerWaalsContact C-OE1 3.32Å; C244-Q268 PolarHBondContact O-OE1 3.36Å; C244-Q268 VanDerWaalsContact O-OE1 3.12Å; Q268-V270 PolarHBondContact O-N 3.18Å; Q268-F502 HydrophobicContact CG-CB 4.03Å; Q268-F502 HydrophobicContact CG-CD1 3.74Å; Q268-F502 HydrophobicContact CG-CD2 3.79Å; Q268-F502 HydrophobicContact CG-CE1 4.09Å; Q268-F502 HydrophobicContact CG-CE2 4.13Å; Q268-F502 HydrophobicContact CG-CG 3.58Å; Q268-F502 HydrophobicContact CG-CZ 4.27Å; Q268-F502 VanDerWaalsContact NE2-CE1 3.34Å; Q268-F502 VanDerWaalsContact NE2-CZ 3.35Å
269	G	89.7	Confident	92	Very high	71 Å²	71	44.6 Å²	44.6	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-0.5	-175.6	0	0	0	0	0	115.7	P267	P267-G269 PolarHBondContact O-N 2.92Å
270	V	91.4	Very high	91.9	Very high	58 Å²	58	44.4 Å²	44.4	35%	0.352	23%	0.234	S	C	.	.			trans	-111	124.3	179.9	-178.8	0	0	0	0	111.1	P267 Q268 I272	P267-V270 HydrophobicContact CB-CB 4.08Å; P267-V270 HydrophobicContact CB-CG2 3.92Å; P267-V270 HydrophobicContact CG-CB 4.4Å; P267-V270 HydrophobicContact CG-CG2 4.46Å; P267-V270 PolarHBondContact O-N 2.68Å; P267-V270 VanDerWaalsContact O-N 3.08Å; Q268-V270 PolarHBondContact O-N 3.18Å; V270-I272 HydrophobicContact CG1-CD1 3.95Å
271	T	93.8	Very high	91.5	Very high	78 Å²	78	51.5 Å²	51.5	48%	0.479	26%	0.257	S	S	.	.			trans	-92.1	112.5	170.1	-50	0	0	0	0	110.3	R273 D499 T501	T271-R273 HydrophobicContact CG2-CG 4.43Å; T271-R273 PolarHBondContact O-N 2.96Å; T271-D499 HydrophobicContact CG2-CB 3.94Å; T271-T501 HydrophobicContact CG2-CG2 4.03Å; T271-T501 WeakPolarHBondContact OG1-CG2 3.37Å
272	I	94.3	Very high	90.3	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.1	171.9	-53.7	-60.8	0	0	0	108	A266 V270 L295 D499 Y500	A266-I272 HydrophobicContact CB-CG1 3.77Å; V270-I272 HydrophobicContact CG1-CD1 3.95Å; I272-L295 HydrophobicContact CG2-CD1 3.55Å; I272-D499 WeakPolarHBondContact O-CA 3.36Å; I272-Y500 HydrophobicContact CB-CD1 4.03Å; I272-Y500 HydrophobicContact CB-CE1 3.58Å; I272-Y500 HydrophobicContact CB-CE2 4.15Å; I272-Y500 HydrophobicContact CB-CG 4.49Å; I272-Y500 HydrophobicContact CG1-CE1 4.41Å; I272-Y500 HydrophobicContact CG1-CE2 4.15Å; I272-Y500 HydrophobicContact CG2-CD1 4.33Å; I272-Y500 HydrophobicContact CG2-CE1 3.51Å; I272-Y500 PolarHBondContact N-O 2.94Å; I272-Y500 PolarHBondContact O-N 2.73Å
273	R	95.1	Very high	88.6	Confident	123 Å²	123	58.2 Å²	58.2	46%	0.464	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.1	-178.9	-68.1	-173.3	-71.5	144.2	-2.9	110.7	T271 E296 D499	T271-R273 HydrophobicContact CG2-CG 4.43Å; T271-R273 PolarHBondContact O-N 2.96Å; R273-E296 PolarHBondContact O-N 2.84Å; R273-D499 WeakPolarHBondContact CA-OD1 3.39Å; R273-D499 WeakPolarHBondContact CB-OD1 3.18Å; R273-D499 HydrophobicContact CG-CB 4.47Å; R273-D499 WeakPolarHBondContact CG-OD1 3.43Å
274	C	96.1	Very high	87.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	165.6	-179.9	-63.2	0	0	0	0	112.2	L293 H294 M498	C274-L293 HydrophobicContact CB-CD1 3.65Å; C274-L293 HydrophobicContact CB-CG 4.35Å; C274-H294 CarbonylContact C-O 3.54Å; C274-H294 WeakPolarHBondContact CA-O 3.27Å; C274-H294 VanDerWaalsContact CB-O 3.28Å; C274-H294 WeakPolarHBondContact CB-O 3.21Å; C274-M498 CarbonylContact C-O 3.49Å; C274-M498 WeakPolarHBondContact CA-O 3.43Å; C274-M498 HydrophobicContact CB-CE 4.27Å; C274-M498 VanDerWaalsContact CB-O 3.25Å; C274-M498 WeakPolarHBondContact CB-O 3.3Å; C274-M498 PolarHBondContact N-O 3.5Å; C274-M498 PolarHBondContact O-N 3.04Å
275	R	95.6	Very high	86.1	Confident	70 Å²	70	65.6 Å²	65.6	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.5	-177.8	-168.7	170	-179.3	149.4	-0.2	110	H294 E296 V495 F496	R275-H294 PolarHBondContact N-O 2.75Å; R275-H294 PolarHBondContact O-N 3.04Å; R275-E296 IonicContact NH1-OE1 2.7Å; R275-E296 PolarHBondContact NH1-OE1 3.32Å; R275-V495 HydrophobicContact CG-CG1 3.98Å; R275-F496 WeakPolarHBondContact CA-O 3.41Å
276	I	96.5	Very high	84.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.5	176.7	-63.9	172.2	0	0	0	108.7	Y291 Y292 L293 F488 V495 F496 M498 F510 A513 F517	I276-Y291 HydrophobicContact CG2-CD1 4.14Å; I276-Y292 WeakPolarHBondContact CA-O 3.19Å; I276-L293 HydrophobicContact CD1-CD1 4.2Å; I276-L293 HydrophobicContact CG1-CD1 3.55Å; I276-F488 HydrophobicContact CD1-CD2 4.49Å; I276-F488 HydrophobicContact CD1-CE2 4.03Å; I276-V495 WeakPolarHBondContact O-CA 3.41Å; I276-F496 HydrophobicContact CB-CB 4.39Å; I276-F496 PolarHBondContact N-O 2.79Å; I276-F496 PolarHBondContact O-N 3.45Å; I276-M498 HydrophobicContact CD1-CB 4.02Å; I276-M498 HydrophobicContact CD1-CG 4.35Å; I276-M498 HydrophobicContact CD1-SD 3.85Å; I276-M498 HydrophobicContact CG1-CB 4.34Å; I276-F510 HydrophobicContact CD1-CD2 3.71Å; I276-F510 HydrophobicContact CD1-CE2 3.87Å; I276-F510 HydrophobicContact CG1-CD2 4.18Å; I276-F510 HydrophobicContact CG1-CE2 4.03Å; I276-F510 HydrophobicContact CG2-CE2 4.37Å; I276-A513 HydrophobicContact CD1-CB 3.74Å; I276-F517 HydrophobicContact CG2-CE2 4.24Å; I276-F517 HydrophobicContact CG2-CZ 4.15Å
277	T	95.1	Very high	84.1	Confident	46 Å²	46	72 Å²	72	28%	0.282	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.9	171.5	50.5	0	0	0	0	110.2	Y292 V495	T277-Y292 PolarHBondContact N-O 3.11Å; T277-Y292 PolarHBondContact O-N 2.73Å; T277-Y292 PolarHBondContact OG1-O 3.15Å; T277-V495 HydrophobicContact CG2-CG1 4.21Å; T277-V495 HydrophobicContact CG2-CG2 4.4Å
278	R	93.1	Very high	83.6	Confident	39 Å²	39	72.1 Å²	72.1	15%	0.147	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	178.2	-178.4	174.9	64.5	-177.2	-4.1	109.8	P289 S290 Y291 E493 D494 F496	R278-P289 HydrophobicContact CG-CB 3.86Å; R278-P289 HydrophobicContact CG-CG 4.26Å; R278-S290 CarbonylContact C-O 3.58Å; R278-S290 WeakPolarHBondContact CA-O 2.98Å; R278-Y291 HydrophobicContact CB-CD1 4.04Å; R278-Y291 HydrophobicContact CB-CE1 3.91Å; R278-Y291 WeakPolarHBondContact CD-OH 3.27Å; R278-Y291 HydrophobicContact CG-CD1 4.1Å; R278-Y291 HydrophobicContact CG-CE1 3.61Å; R278-E493 PolarHBondContact NH2-O 3.33Å; R278-D494 HydrophobicContact CB-CB 4.28Å; R278-D494 IonicContact CZ-OD1 2.59Å; R278-D494 PolarHBondContact N-O 2.95Å; R278-D494 IonicContact NE-OD1 2.73Å; R278-D494 PolarHBondContact NE-OD1 3.49Å; R278-D494 IonicContact NH2-OD1 2.71Å; R278-D494 PolarHBondContact NH2-OD1 2.81Å; R278-D494 WeakPolarHBondContact O-CB 3.44Å; R278-F496 HydrophobicContact CB-CE2 4.43Å
279	D	90.9	Very high	83.6	Confident	48 Å²	48	70.7 Å²	70.7	26%	0.257	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.7	172.8	-174.4	22.6	0	0	0	111.9	R281 P289 S290 Y292	D279-R281 WeakPolarHBondContact OD1-CB 3.39Å; D279-R281 WeakPolarHBondContact OD1-CD 3.42Å; D279-R281 WeakPolarHBondContact OD1-CG 3.46Å; D279-R281 PolarHBondContact OD1-N 2.67Å; D279-P289 VanDerWaalsContact O-CA 3.25Å; D279-P289 WeakPolarHBondContact O-CA 3.47Å; D279-P289 VanDerWaalsContact O-CB 3.27Å; D279-P289 WeakPolarHBondContact O-CB 3.39Å; D279-S290 PolarHBondContact N-O 3.19Å; D279-S290 PolarHBondContact O-N 3.21Å; D279-Y292 HydrophobicContact CB-CE2 3.99Å
280	K	85.4	Confident	83.8	Confident	62 Å²	62	67.7 Å²	67.7	27%	0.27	33%	0.327	S	S	.	.			trans	-84	-14.1	173.4	-64.9	172	-179.5	135.5	0	113.4	G282 G286 E493 D494	K280-G282 PolarHBondContact O-N 3.25Å; K280-G282 VanDerWaalsContact O-N 3.15Å; K280-G286 VanDerWaalsContact O-CA 3.32Å; K280-G286 WeakPolarHBondContact O-CA 3.34Å; K280-G286 PolarHBondContact O-N 2.81Å; K280-G286 VanDerWaalsContact O-N 3.11Å; K280-E493 IonicContact NZ-OE1 3.91Å; K280-E493 PolarHBondContact NZ-OE1 3.21Å; K280-D494 WeakPolarHBondContact CE-OD1 3.42Å; K280-D494 WeakPolarHBondContact CE-OD2 3.1Å; K280-D494 IonicContact NZ-OD1 2.77Å; K280-D494 PolarHBondContact NZ-OD1 2.99Å; K280-D494 IonicContact NZ-OD2 3.2Å; K280-D494 PolarHBondContact NZ-OD2 3.13Å
281	R	76.8	Confident	83.9	Confident	231 Å²	231	65.3 Å²	65.3	87%	0.872	31%	0.312	S	S	*	.			trans	-70	-9.1	-172.7	-59.8	166.4	-179.2	-164.5	-0.2	114.1	D279	D279-R281 WeakPolarHBondContact OD1-CB 3.39Å; D279-R281 WeakPolarHBondContact OD1-CD 3.42Å; D279-R281 WeakPolarHBondContact OD1-CG 3.46Å; D279-R281 PolarHBondContact OD1-N 2.67Å
282	G	65.5	Low	84.1	Confident	21 Å²	21	64 Å²	64	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	-56	162.9	178.2	0	0	0	0	0	114.2	K280 D284 R285	K280-G282 PolarHBondContact O-N 3.25Å; K280-G282 VanDerWaalsContact O-N 3.15Å; G282-D284 PolarHBondContact O-N 3.45Å; G282-R285 PolarHBondContact O-N 2.89Å
283	V	56	Low	84.2	Confident	129 Å²	129	63 Å²	63	78%	0.782	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	-14.4	-167.8	-152.9	0	0	0	0	116.8
284	D	62.1	Low	84.2	Confident	32 Å²	32	59 Å²	59	17%	0.171	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	24.9	-172.4	-55.7	-74	0	0	0	113.5	G282 G286 I287 F288 R308 K311	G282-D284 PolarHBondContact O-N 3.45Å; D284-G286 VanDerWaalsContact C-N 3.29Å; D284-G286 PolarHBondContact O-N 3.13Å; D284-I287 HydrophobicContact CB-CB 4.38Å; D284-I287 VanDerWaalsContact O-CG1 3.3Å; D284-I287 WeakPolarHBondContact O-CG1 3.17Å; D284-I287 PolarHBondContact O-N 2.97Å; D284-I287 VanDerWaalsContact O-N 3.13Å; D284-F288 HydrophobicContact CB-CD2 4Å; D284-R308 IonicContact OD2-CZ 3.14Å; D284-R308 IonicContact OD2-NH2 2.75Å; D284-R308 PolarHBondContact OD2-NH2 3.48Å; D284-K311 WeakPolarHBondContact OD1-CE 3.25Å; D284-K311 IonicContact OD1-NZ 2.87Å; D284-K311 PolarHBondContact OD1-NZ 2.7Å; D284-K311 WeakPolarHBondContact OD2-CE 3.05Å; D284-K311 IonicContact OD2-NZ 2.68Å; D284-K311 PolarHBondContact OD2-NZ 3.39Å
285	R	65.1	Low	84.1	Confident	247 Å²	247	59.9 Å²	59.9	93%	0.932	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.9	176.6	-56.3	-179.4	-178.8	176	0.1	113.2	G282	G282-R285 PolarHBondContact O-N 2.89Å
286	G	68.1	Low	83.9	Confident	29 Å²	29	58.6 Å²	58.6	30%	0.299	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-8.6	177.8	0	0	0	0	0	117	K280 D284 F288 P289	K280-G286 VanDerWaalsContact O-CA 3.32Å; K280-G286 WeakPolarHBondContact O-CA 3.34Å; K280-G286 PolarHBondContact O-N 2.81Å; K280-G286 VanDerWaalsContact O-N 3.11Å; D284-G286 VanDerWaalsContact C-N 3.29Å; D284-G286 PolarHBondContact O-N 3.13Å; G286-F288 PolarHBondContact O-N 3.1Å; G286-P289 WeakPolarHBondContact O-CD 3.46Å
287	I	74.9	Confident	83.3	Confident	125 Å²	125	62.1 Å²	62.1	64%	0.641	30%	0.297	S	S	*	.	S	Bend	trans	-67	-36.7	-177.4	-57.7	167.8	0	0	0	112.2	D284 P289	D284-I287 HydrophobicContact CB-CB 4.38Å; D284-I287 VanDerWaalsContact O-CG1 3.3Å; D284-I287 WeakPolarHBondContact O-CG1 3.17Å; D284-I287 PolarHBondContact O-N 2.97Å; D284-I287 VanDerWaalsContact O-N 3.13Å; I287-P289 WeakPolarHBondContact O-CD 3.45Å
288	F	81.5	Confident	82.3	Confident	37 Å²	37	67.7 Å²	67.7	16%	0.162	32%	0.319	C	S	.	.	S	Bend	trans	-124.7	72.7	179.6	-63.1	-79.9	0	0	0	110.4	D284 G286 R308 R309 K311	D284-F288 HydrophobicContact CB-CD2 4Å; G286-F288 PolarHBondContact O-N 3.1Å; F288-R308 PolarHBondContact O-NE 2.93Å; F288-R309 HydrophobicContact CD1-CB 4.19Å; F288-R309 HydrophobicContact CD1-CG 4.07Å; F288-R309 WeakPolarHBondContact CD1-O 3.31Å; F288-R309 HydrophobicContact CE1-CG 4.27Å; F288-K311 HydrophobicContact CD1-CG 4.49Å; F288-K311 HydrophobicContact CD2-CB 4.37Å; F288-K311 HydrophobicContact CD2-CD 4.21Å; F288-K311 HydrophobicContact CD2-CG 3.84Å; F288-K311 HydrophobicContact CE1-CB 4.42Å; F288-K311 HydrophobicContact CE2-CB 3.97Å; F288-K311 HydrophobicContact CE2-CD 4.37Å; F288-K311 HydrophobicContact CE2-CG 3.95Å; F288-K311 HydrophobicContact CG-CG 4.13Å; F288-K311 HydrophobicContact CZ-CB 4Å; F288-K311 HydrophobicContact CZ-CG 4.33Å
289	P	89.3	Confident	81.3	Confident	18 Å²	18	73.8 Å²	73.8	12%	0.117	36%	0.355	C	S	.	.			trans	-68.6	150.8	-175.1	29.5	-33.8	0	0	0	111.6	R278 D279 G286 I287 Y291	R278-P289 HydrophobicContact CG-CB 3.86Å; R278-P289 HydrophobicContact CG-CG 4.26Å; D279-P289 VanDerWaalsContact O-CA 3.25Å; D279-P289 WeakPolarHBondContact O-CA 3.47Å; D279-P289 VanDerWaalsContact O-CB 3.27Å; D279-P289 WeakPolarHBondContact O-CB 3.39Å; G286-P289 WeakPolarHBondContact O-CD 3.46Å; I287-P289 WeakPolarHBondContact O-CD 3.45Å; P289-Y291 HydrophobicContact CB-CE2 4.44Å; P289-Y291 HydrophobicContact CG-CE2 3.87Å
290	S	92.2	Very high	80.6	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.049	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	149	169.3	-63.2	0	0	0	0	109.9	R278 D279 Y292 A307	R278-S290 CarbonylContact C-O 3.58Å; R278-S290 WeakPolarHBondContact CA-O 2.98Å; D279-S290 PolarHBondContact N-O 3.19Å; D279-S290 PolarHBondContact O-N 3.21Å; S290-Y292 VanDerWaalsContact CB-CE2 3.45Å; S290-Y292 WeakPolarHBondContact CB-OH 3.32Å; S290-A307 CarbonylContact C-O 3.53Å
291	Y	95.3	Very high	80.5	Confident	9 Å²	9	78.7 Å²	78.7	4%	0.035	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	175.4	-64	-94.6	0	0	0	108.5	I276 R278 P289 A306 A307 Y318 L514 F517	I276-Y291 HydrophobicContact CG2-CD1 4.14Å; R278-Y291 HydrophobicContact CB-CD1 4.04Å; R278-Y291 HydrophobicContact CB-CE1 3.91Å; R278-Y291 WeakPolarHBondContact CD-OH 3.27Å; R278-Y291 HydrophobicContact CG-CD1 4.1Å; R278-Y291 HydrophobicContact CG-CE1 3.61Å; P289-Y291 HydrophobicContact CB-CE2 4.44Å; P289-Y291 HydrophobicContact CG-CE2 3.87Å; Y291-A306 CarbonylContact O-C 3.52Å; Y291-A306 VanDerWaalsContact O-CA 3.31Å; Y291-A306 WeakPolarHBondContact O-CA 3.31Å; Y291-A307 PolarHBondContact N-O 3.4Å; Y291-A307 PolarHBondContact O-N 3.21Å; Y291-Y318 HydrophobicContact CD2-CE1 4.34Å; Y291-Y318 HydrophobicContact CE2-CE1 4.04Å; Y291-L514 HydrophobicContact CD1-CD2 4.3Å; Y291-L514 HydrophobicContact CD2-CD2 3.86Å; Y291-L514 HydrophobicContact CG-CD2 3.76Å; Y291-F517 AromaticContact CD1-CD2 3.66Å; Y291-F517 HydrophobicContact CD1-CD2 3.66Å; Y291-F517 AromaticContact CD1-CE2 3.44Å; Y291-F517 HydrophobicContact CD1-CE2 3.44Å; Y291-F517 VanDerWaalsContact CD1-CE2 3.44Å; Y291-F517 HydrophobicContact CD1-CG 4.43Å; Y291-F517 HydrophobicContact CD1-CZ 4.02Å; Y291-F517 HydrophobicContact CE1-CB 4.2Å; Y291-F517 AromaticContact CE1-CD1 3.99Å; Y291-F517 HydrophobicContact CE1-CD1 3.99Å; Y291-F517 AromaticContact CE1-CD2 3.19Å; Y291-F517 HydrophobicContact CE1-CD2 3.19Å; Y291-F517 HydrophobicContact CE1-CE1 4.12Å; Y291-F517 AromaticContact CE1-CE2 3.37Å; Y291-F517 HydrophobicContact CE1-CE2 3.37Å; Y291-F517 AromaticContact CE1-CG 3.55Å; Y291-F517 HydrophobicContact CE1-CG 3.55Å; Y291-F517 AromaticContact CE1-CZ 3.83Å; Y291-F517 HydrophobicContact CE1-CZ 3.83Å; Y291-F517 HydrophobicContact CG-CE2 4.44Å; Y291-F517 AromaticContact CZ-CD2 3.74Å; Y291-F517 AromaticContact CZ-CG 3.89Å
292	Y	96.2	Very high	81.2	Confident	49 Å²	49	71.2 Å²	71.2	19%	0.192	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.1	-179.1	-56.2	-86.9	0	0	0	109.9	I276 T277 D279 S290 H294 F303 A306 A324	I276-Y292 WeakPolarHBondContact CA-O 3.19Å; T277-Y292 PolarHBondContact N-O 3.11Å; T277-Y292 PolarHBondContact O-N 2.73Å; T277-Y292 PolarHBondContact OG1-O 3.15Å; D279-Y292 HydrophobicContact CB-CE2 3.99Å; S290-Y292 VanDerWaalsContact CB-CE2 3.45Å; S290-Y292 WeakPolarHBondContact CB-OH 3.32Å; Y292-H294 PolarHBondContact O-ND1 2.74Å; Y292-F303 AromaticContact CD1-CE2 3.97Å; Y292-F303 HydrophobicContact CD1-CE2 3.97Å; Y292-A306 HydrophobicContact CD1-CB 3.75Å; Y292-A306 HydrophobicContact CE1-CB 3.87Å; Y292-A324 HydrophobicContact CD1-CB 4.07Å; Y292-A324 HydrophobicContact CE1-CB 3.84Å
293	L	97	Very high	82.5	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.6	175	-176.5	72.3	0	0	0	109.8	C274 I276 L304 L305 M498 F510	C274-L293 HydrophobicContact CB-CD1 3.65Å; C274-L293 HydrophobicContact CB-CG 4.35Å; I276-L293 HydrophobicContact CD1-CD1 4.2Å; I276-L293 HydrophobicContact CG1-CD1 3.55Å; L293-L304 HydrophobicContact CD2-CB 4.04Å; L293-L304 HydrophobicContact CD2-CD1 4.03Å; L293-L304 HydrophobicContact CG-CB 4.25Å; L293-L304 HydrophobicContact CG-CD1 4.27Å; L293-L304 PolarHBondContact O-N 2.85Å; L293-L305 HydrophobicContact CB-CB 4.11Å; L293-L305 HydrophobicContact CD2-CB 4.22Å; L293-L305 HydrophobicContact CD2-CD1 4.23Å; L293-L305 HydrophobicContact CD2-CG 4.49Å; L293-L305 PolarHBondContact N-O 2.92Å; L293-L305 PolarHBondContact O-N 3Å; L293-M498 HydrophobicContact CD1-CE 3.68Å; L293-M498 HydrophobicContact CD1-SD 4.08Å; L293-M498 HydrophobicContact CD2-CE 4.19Å; L293-F510 HydrophobicContact CB-CD2 4.1Å; L293-F510 HydrophobicContact CB-CE1 4.44Å; L293-F510 HydrophobicContact CB-CE2 3.98Å; L293-F510 HydrophobicContact CB-CG 4.42Å; L293-F510 HydrophobicContact CB-CZ 4.14Å; L293-F510 HydrophobicContact CD1-CD2 4.23Å; L293-F510 HydrophobicContact CD2-CB 4.1Å; L293-F510 HydrophobicContact CD2-CD2 4.38Å; L293-F510 HydrophobicContact CD2-CG 4.15Å; L293-F510 HydrophobicContact CG-CD2 4.48Å
294	H	95.5	Very high	84.4	Confident	39 Å²	39	66.8 Å²	66.8	18%	0.181	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.3	173.4	-55.1	78.7	0	0	0	110.4	C274 R275 Y292 K301 F302	C274-H294 CarbonylContact C-O 3.54Å; C274-H294 WeakPolarHBondContact CA-O 3.27Å; C274-H294 VanDerWaalsContact CB-O 3.28Å; C274-H294 WeakPolarHBondContact CB-O 3.21Å; R275-H294 PolarHBondContact N-O 2.75Å; R275-H294 PolarHBondContact O-N 3.04Å; Y292-H294 PolarHBondContact O-ND1 2.74Å; H294-K301 HydrophobicContact CB-CB 4.21Å; H294-F302 CarbonylContact C-O 3.53Å; H294-F302 WeakPolarHBondContact CA-O 3.4Å
295	L	94.4	Very high	86	Confident	19 Å²	19	65.3 Å²	65.3	10%	0.099	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.8	164.6	-173.6	68	0	0	0	109.5	P254 F261 I272 K301 F302 L304	P254-L295 HydrophobicContact CG-CD2 3.94Å; F261-L295 HydrophobicContact CZ-CD1 4.42Å; F261-L295 HydrophobicContact CZ-CD2 4.39Å; I272-L295 HydrophobicContact CG2-CD1 3.55Å; L295-K301 WeakPolarHBondContact O-CA 3.1Å; L295-F302 HydrophobicContact CB-CB 4.24Å; L295-F302 PolarHBondContact N-O 3.03Å; L295-F302 PolarHBondContact O-N 3.14Å; L295-L304 HydrophobicContact CB-CD1 4.05Å; L295-L304 HydrophobicContact CB-CD2 4.4Å; L295-L304 HydrophobicContact CB-CG 4.23Å
296	E	90.8	Very high	87.5	Confident	44 Å²	44	53.5 Å²	53.5	21%	0.206	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	94.7	177.8	-171.3	167.2	-133.2	0	0	109.4	R273 R275 R464	R273-E296 PolarHBondContact O-N 2.84Å; R275-E296 IonicContact NH1-OE1 2.7Å; R275-E296 PolarHBondContact NH1-OE1 3.32Å; E296-R464 IonicContact OE2-CZ 2.69Å; E296-R464 IonicContact OE2-NH1 2.67Å; E296-R464 PolarHBondContact OE2-NH1 2.85Å; E296-R464 IonicContact OE2-NH2 2.68Å; E296-R464 PolarHBondContact OE2-NH2 3.42Å
297	K	84.3	Confident	88.8	Confident	73 Å²	73	52.1 Å²	52.1	32%	0.317	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.9	179.5	-178.1	-175.9	175.2	-176.4	0	110.5	D299 C300 F302	K297-D299 PolarHBondContact O-N 2.92Å; K297-D299 VanDerWaalsContact O-N 3.17Å; K297-C300 PolarHBondContact N-O 3.35Å; K297-C300 PolarHBondContact O-N 3.01Å; K297-C300 VanDerWaalsContact O-O 3.1Å; K297-F302 HydrophobicContact CB-CD2 4.49Å; K297-F302 HydrophobicContact CB-CE2 4.35Å; K297-F302 HydrophobicContact CD-CE2 4.49Å
298	E	73.7	Confident	89.6	Confident	163 Å²	163	48.7 Å²	48.7	76%	0.762	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	-118.6	-178.7	-66.6	125.4	-144.2	0	0	110.5
299	D	72.2	Confident	90.1	Very high	168 Å²	168	50.7 Å²	50.7	90%	0.898	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-3	179.6	-59.8	-64.9	0	0	0	114.1	K297	K297-D299 PolarHBondContact O-N 2.92Å; K297-D299 VanDerWaalsContact O-N 3.17Å
300	C	76.5	Confident	90.1	Very high	70 Å²	70	53.5 Å²	53.5	47%	0.473	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.1	-170.6	-77.3	0	0	0	0	113.5	K297 F302	K297-C300 PolarHBondContact N-O 3.35Å; K297-C300 PolarHBondContact O-N 3.01Å; K297-C300 VanDerWaalsContact O-O 3.1Å; C300-F302 HydrophobicContact CB-CD2 4.15Å; C300-F302 HydrophobicContact CB-CE2 3.45Å; C300-F302 VanDerWaalsContact CB-CE2 3.45Å; C300-F302 HydrophobicContact CB-CZ 3.88Å
301	K	84	Confident	89.7	Confident	143 Å²	143	58.4 Å²	58.4	62%	0.622	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	100.9	173.4	-66.7	172.7	-171.4	162.1	0	109.5	H294 L295	H294-K301 HydrophobicContact CB-CB 4.21Å; L295-K301 WeakPolarHBondContact O-CA 3.1Å
302	F	90.6	Very high	89.1	Confident	73 Å²	73	69.3 Å²	69.3	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.8	175.7	-61.7	-90.9	0	0	0	109.1	P254 T255 H294 L295 K297 C300	P254-F302 HydrophobicContact CG-CB 4.23Å; P254-F302 HydrophobicContact CG-CG 4.34Å; T255-F302 HydrophobicContact CG2-CE1 4.34Å; H294-F302 CarbonylContact C-O 3.53Å; H294-F302 WeakPolarHBondContact CA-O 3.4Å; L295-F302 HydrophobicContact CB-CB 4.24Å; L295-F302 PolarHBondContact N-O 3.03Å; L295-F302 PolarHBondContact O-N 3.14Å; K297-F302 HydrophobicContact CB-CD2 4.49Å; K297-F302 HydrophobicContact CB-CE2 4.35Å; K297-F302 HydrophobicContact CD-CE2 4.49Å; C300-F302 HydrophobicContact CB-CD2 4.15Å; C300-F302 HydrophobicContact CB-CE2 3.45Å; C300-F302 VanDerWaalsContact CB-CE2 3.45Å; C300-F302 HydrophobicContact CB-CZ 3.88Å
303	F	93.9	Very high	88.6	Confident	58 Å²	58	68.9 Å²	68.9	25%	0.254	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.2	176	170.4	-103.8	0	0	0	110.8	Y292 L305 A306 C322 A324	Y292-F303 AromaticContact CD1-CE2 3.97Å; Y292-F303 HydrophobicContact CD1-CE2 3.97Å; F303-L305 VanDerWaalsContact CE2-O 3.29Å; F303-L305 WeakPolarHBondContact CE2-O 3.41Å; F303-L305 VanDerWaalsContact CZ-C 3.44Å; F303-A306 HydrophobicContact CE2-CB 3.95Å; F303-A306 HydrophobicContact CZ-CB 3.73Å; F303-C322 WeakPolarHBondContact CE1-O 3.42Å; F303-A324 HydrophobicContact CE1-CB 4.07Å; F303-A324 HydrophobicContact CE2-CB 4Å; F303-A324 HydrophobicContact CZ-CB 3.76Å
304	L	94.6	Very high	88.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	-52.8	-178.9	-64.7	-179.5	0	0	0	113.1	P254 L258 F261 L293 L295	P254-L304 HydrophobicContact CB-CD2 4.04Å; L258-L304 HydrophobicContact CD1-CB 4.44Å; L258-L304 HydrophobicContact CD1-CD2 3.78Å; F261-L304 HydrophobicContact CD1-CD2 3.84Å; F261-L304 HydrophobicContact CE1-CD1 3.89Å; F261-L304 HydrophobicContact CE1-CD2 3.65Å; F261-L304 HydrophobicContact CE1-CG 4.43Å; F261-L304 HydrophobicContact CZ-CD2 4.38Å; L293-L304 HydrophobicContact CD2-CB 4.04Å; L293-L304 HydrophobicContact CD2-CD1 4.03Å; L293-L304 HydrophobicContact CG-CB 4.25Å; L293-L304 HydrophobicContact CG-CD1 4.27Å; L293-L304 PolarHBondContact O-N 2.85Å; L295-L304 HydrophobicContact CB-CD1 4.05Å; L295-L304 HydrophobicContact CB-CD2 4.4Å; L295-L304 HydrophobicContact CB-CG 4.23Å
305	L	96.3	Very high	87.8	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139.9	-172	-75.3	176.2	0	0	0	111	I262 L293 F303 I320 L507 F510	I262-L305 HydrophobicContact CB-CD1 4.46Å; I262-L305 HydrophobicContact CD1-CD2 3.9Å; I262-L305 HydrophobicContact CG2-CD1 4.36Å; I262-L305 HydrophobicContact CG2-CD2 4.31Å; I262-L305 HydrophobicContact CG2-CG 4.06Å; L293-L305 HydrophobicContact CB-CB 4.11Å; L293-L305 HydrophobicContact CD2-CB 4.22Å; L293-L305 HydrophobicContact CD2-CD1 4.23Å; L293-L305 HydrophobicContact CD2-CG 4.49Å; L293-L305 PolarHBondContact N-O 2.92Å; L293-L305 PolarHBondContact O-N 3Å; F303-L305 VanDerWaalsContact CE2-O 3.29Å; F303-L305 WeakPolarHBondContact CE2-O 3.41Å; F303-L305 VanDerWaalsContact CZ-C 3.44Å; L305-I320 HydrophobicContact CB-CG2 4.42Å; L305-I320 HydrophobicContact CD1-CG2 4.2Å; L305-I320 HydrophobicContact CD2-CG2 3.95Å; L305-I320 HydrophobicContact CG-CG2 4.43Å; L305-L507 HydrophobicContact CD1-CB 4.36Å; L305-L507 HydrophobicContact CD1-CD1 3.97Å; L305-F510 HydrophobicContact CB-CD1 3.69Å; L305-F510 HydrophobicContact CB-CE1 3.66Å; L305-F510 HydrophobicContact CD1-CB 4.21Å; L305-F510 HydrophobicContact CD1-CD1 3.71Å; L305-F510 HydrophobicContact CD1-CG 4.34Å; L305-F510 HydrophobicContact CG-CD1 4.35Å
306	A	95.8	Very high	87.6	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.5	166.4	0	0	0	0	0	110.1	Y291 Y292 F303 I320 S321 L327	Y291-A306 CarbonylContact O-C 3.52Å; Y291-A306 VanDerWaalsContact O-CA 3.31Å; Y291-A306 WeakPolarHBondContact O-CA 3.31Å; Y292-A306 HydrophobicContact CD1-CB 3.75Å; Y292-A306 HydrophobicContact CE1-CB 3.87Å; F303-A306 HydrophobicContact CE2-CB 3.95Å; F303-A306 HydrophobicContact CZ-CB 3.73Å; A306-I320 WeakPolarHBondContact O-CA 3.36Å; A306-S321 PolarHBondContact N-O 3.42Å; A306-S321 PolarHBondContact O-N 3.46Å; A306-L327 HydrophobicContact CB-CD1 4.47Å; A306-L327 HydrophobicContact CB-CD2 3.92Å; A306-L327 HydrophobicContact CB-CG 4.48Å
307	A	95.5	Very high	87.7	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	150.7	175	0	0	0	0	0	113.2	S290 Y291 V319 I320 F510 L514	S290-A307 CarbonylContact C-O 3.53Å; Y291-A307 PolarHBondContact N-O 3.4Å; Y291-A307 PolarHBondContact O-N 3.21Å; A307-V319 WeakPolarHBondContact CA-O 3.25Å; A307-V319 WeakPolarHBondContact CB-O 3.13Å; A307-I320 HydrophobicContact CB-CG1 4.01Å; A307-F510 HydrophobicContact CB-CE1 3.56Å; A307-F510 HydrophobicContact CB-CZ 3.81Å; A307-L514 HydrophobicContact CB-CD1 3.52Å; A307-L514 HydrophobicContact CB-CD2 4.04Å; A307-L514 HydrophobicContact CB-CG 4.44Å
308	R	92.5	Very high	88.1	Confident	53 Å²	53	69.2 Å²	69.2	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138	176.3	-172.7	172.3	-178.4	-158.6	-3	112.1	D284 F288 Y318 V319 L327	D284-R308 IonicContact OD2-CZ 3.14Å; D284-R308 IonicContact OD2-NH2 2.75Å; D284-R308 PolarHBondContact OD2-NH2 3.48Å; F288-R308 PolarHBondContact O-NE 2.93Å; R308-Y318 WeakPolarHBondContact O-CA 3.4Å; R308-V319 PolarHBondContact N-O 2.85Å; R308-V319 VanDerWaalsContact N-O 3.09Å; R308-V319 PolarHBondContact O-N 2.9Å; R308-L327 HydrophobicContact CB-CD1 4.06Å
309	R	91.3	Very high	89.1	Confident	79 Å²	79	61.6 Å²	61.6	30%	0.298	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.4	173.6	-178.6	172.4	159	-176	-11.2	110.2	F288 S316 Y318 D518	F288-R309 HydrophobicContact CD1-CB 4.19Å; F288-R309 HydrophobicContact CD1-CG 4.07Å; F288-R309 WeakPolarHBondContact CD1-O 3.31Å; F288-R309 HydrophobicContact CE1-CG 4.27Å; R309-S316 VanDerWaalsContact CZ-OG 3.22Å; R309-S316 PolarHBondContact NE-OG 2.87Å; R309-S316 PolarHBondContact NH1-OG 3.06Å; R309-Y318 HydrophobicContact CB-CD1 4.05Å; R309-Y318 HydrophobicContact CB-CD2 4.27Å; R309-Y318 HydrophobicContact CB-CE1 3.86Å; R309-Y318 HydrophobicContact CB-CE2 4.05Å; R309-Y318 HydrophobicContact CB-CG 4.25Å; R309-Y318 HydrophobicContact CG-CE2 4.23Å; R309-D518 IonicContact CZ-OD1 2.7Å; R309-D518 IonicContact NH1-OD1 3.79Å; R309-D518 PolarHBondContact NH1-OD1 2.62Å
310	R	88.8	Confident	90.2	Very high	76 Å²	76	53.6 Å²	53.6	29%	0.287	25%	0.249	S	C	.	.			trans	-73.3	141.4	178	-67.8	174.8	67.5	86.8	-9.1	111.1	N317 V319	R310-N317 WeakPolarHBondContact CB-O 3.38Å; R310-N317 VanDerWaalsContact CD-OD1 3.26Å; R310-N317 WeakPolarHBondContact CD-OD1 3.31Å; R310-N317 WeakPolarHBondContact CG-O 3.3Å; R310-N317 PolarHBondContact N-O 3.47Å; R310-V319 HydrophobicContact CG-CG2 3.9Å
311	K	84.4	Confident	91	Very high	111 Å²	111	50.2 Å²	50.2	48%	0.483	23%	0.227	S	C	.	.	S	Bend	trans	-76.1	-35.6	177.5	-35.5	-173.4	-156.9	-175.3	0	113.5	D284 F288 S313	D284-K311 WeakPolarHBondContact OD1-CE 3.25Å; D284-K311 IonicContact OD1-NZ 2.87Å; D284-K311 PolarHBondContact OD1-NZ 2.7Å; D284-K311 WeakPolarHBondContact OD2-CE 3.05Å; D284-K311 IonicContact OD2-NZ 2.68Å; D284-K311 PolarHBondContact OD2-NZ 3.39Å; F288-K311 HydrophobicContact CD1-CG 4.49Å; F288-K311 HydrophobicContact CD2-CB 4.37Å; F288-K311 HydrophobicContact CD2-CD 4.21Å; F288-K311 HydrophobicContact CD2-CG 3.84Å; F288-K311 HydrophobicContact CE1-CB 4.42Å; F288-K311 HydrophobicContact CE2-CB 3.97Å; F288-K311 HydrophobicContact CE2-CD 4.37Å; F288-K311 HydrophobicContact CE2-CG 3.95Å; F288-K311 HydrophobicContact CG-CG 4.13Å; F288-K311 HydrophobicContact CZ-CB 4Å; F288-K311 HydrophobicContact CZ-CG 4.33Å; K311-S313 PolarHBondContact O-N 3.08Å
312	R	83.6	Confident	91.4	Very high	237 Å²	237	44.3 Å²	44.3	89%	0.894	20%	0.203	S	C	*	.	S	Bend	trans	-97.3	61.6	-177.3	-61.9	-175.6	-175.5	173.3	0.6	110.8
313	S	85.6	Confident	91.4	Very high	41 Å²	41	42.9 Å²	42.9	29%	0.287	20%	0.199	S	C	.	.			trans	-152.1	127.1	178.5	-62.5	0	0	0	0	110	K311 T315	K311-S313 PolarHBondContact O-N 3.08Å; S313-T315 CarbonylContact C-O 3.6Å; S313-T315 WeakPolarHBondContact CB-O 3.34Å
314	T	85.7	Confident	91.2	Very high	134 Å²	134	41.9 Å²	41.9	82%	0.822	20%	0.201	S	C	*	.	S	Bend	trans	-66.1	-38.2	-174.9	-44.9	0	0	0	0	112.2	F342	T314-F342 HydrophobicContact CG2-CE2 4.38Å
315	T	89.2	Confident	90.9	Very high	27 Å²	27	47.9 Å²	47.9	17%	0.166	24%	0.238	C	C	.	.	S	Bend	trans	-102.4	158.9	167.8	83.9	0	0	0	0	109.7	S313 N317 S340 F342	S313-T315 CarbonylContact C-O 3.6Å; S313-T315 WeakPolarHBondContact CB-O 3.34Å; T315-N317 PolarHBondContact O-N 3.37Å; T315-N317 VanDerWaalsContact O-N 3.1Å; T315-S340 VanDerWaalsContact CB-O 3.3Å; T315-S340 WeakPolarHBondContact CB-O 3.27Å; T315-S340 WeakPolarHBondContact CB-OG 3.25Å; T315-S340 PolarHBondContact OG1-O 2.9Å; T315-F342 HydrophobicContact CG2-CB 4.45Å
316	S	89.6	Confident	90.4	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.063	26%	0.255	C	S	.	.			trans	-62.1	114.3	177.8	-68.1	0	0	0	0	110.9	R309 S340 D518	R309-S316 VanDerWaalsContact CZ-OG 3.22Å; R309-S316 PolarHBondContact NE-OG 2.87Å; R309-S316 PolarHBondContact NH1-OG 3.06Å; S316-S340 PolarHBondContact N-OG 2.71Å; S316-S340 PolarHBondContact O-N 3.03Å; S316-S340 PolarHBondContact O-OG 3.21Å; S316-D518 WeakPolarHBondContact CB-OD2 3.32Å; S316-D518 PolarHBondContact OG-OD1 3.04Å; S316-D518 VanDerWaalsContact OG-OD1 3.04Å; S316-D518 PolarHBondContact OG-OD2 2.79Å
317	N	92.8	Very high	89.9	Confident	5 Å²	5	53 Å²	53	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.5	-178.6	-165.8	-104	0	0	0	109.3	R310 T315 R329 L338	R310-N317 WeakPolarHBondContact CB-O 3.38Å; R310-N317 VanDerWaalsContact CD-OD1 3.26Å; R310-N317 WeakPolarHBondContact CD-OD1 3.31Å; R310-N317 WeakPolarHBondContact CG-O 3.3Å; R310-N317 PolarHBondContact N-O 3.47Å; T315-N317 PolarHBondContact O-N 3.37Å; T315-N317 VanDerWaalsContact O-N 3.1Å; N317-R329 PolarHBondContact OD1-NH2 3.29Å; N317-L338 CarbonylContact C-O 3.59Å; N317-L338 VanDerWaalsContact CA-O 3.3Å; N317-L338 WeakPolarHBondContact CA-O 3.37Å
318	Y	94.2	Very high	89.3	Confident	6 Å²	6	55 Å²	55	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.5	177	-63.9	-118.3	0	0	0	109.5	Y291 R308 R309 K337 L338 L514	Y291-Y318 HydrophobicContact CD2-CE1 4.34Å; Y291-Y318 HydrophobicContact CE2-CE1 4.04Å; R308-Y318 WeakPolarHBondContact O-CA 3.4Å; R309-Y318 HydrophobicContact CB-CD1 4.05Å; R309-Y318 HydrophobicContact CB-CD2 4.27Å; R309-Y318 HydrophobicContact CB-CE1 3.86Å; R309-Y318 HydrophobicContact CB-CE2 4.05Å; R309-Y318 HydrophobicContact CB-CG 4.25Å; R309-Y318 HydrophobicContact CG-CE2 4.23Å; Y318-K337 VanDerWaalsContact O-CA 3.24Å; Y318-K337 WeakPolarHBondContact O-CA 3.49Å; Y318-L338 HydrophobicContact CD2-CB 4.36Å; Y318-L338 HydrophobicContact CD2-CD2 3.94Å; Y318-L338 HydrophobicContact CE2-CD2 4.28Å; Y318-L338 PolarHBondContact N-O 2.74Å; Y318-L338 PolarHBondContact O-N 2.93Å; Y318-L338 VanDerWaalsContact O-N 3.11Å; Y318-L514 HydrophobicContact CD1-CD2 4.02Å; Y318-L514 HydrophobicContact CE1-CD2 4.06Å
319	V	93.9	Very high	88.7	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	138.1	162.8	174	0	0	0	0	107.7	A307 R308 R310 R329 F334	A307-V319 WeakPolarHBondContact CA-O 3.25Å; A307-V319 WeakPolarHBondContact CB-O 3.13Å; R308-V319 PolarHBondContact N-O 2.85Å; R308-V319 VanDerWaalsContact N-O 3.09Å; R308-V319 PolarHBondContact O-N 2.9Å; R310-V319 HydrophobicContact CG-CG2 3.9Å; V319-R329 HydrophobicContact CG2-CG 4.01Å; V319-F334 HydrophobicContact CG1-CD2 3.88Å; V319-F334 HydrophobicContact CG1-CE2 4.05Å
320	I	95.4	Very high	88.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.3	175.4	-49.2	176.2	0	0	0	108.6	L305 A306 A307 T335 G336 L507 F510 L514	L305-I320 HydrophobicContact CB-CG2 4.42Å; L305-I320 HydrophobicContact CD1-CG2 4.2Å; L305-I320 HydrophobicContact CD2-CG2 3.95Å; L305-I320 HydrophobicContact CG-CG2 4.43Å; A306-I320 WeakPolarHBondContact O-CA 3.36Å; A307-I320 HydrophobicContact CB-CG1 4.01Å; I320-T335 PolarHBondContact O-N 3.05Å; I320-T335 VanDerWaalsContact O-N 3.09Å; I320-G336 PolarHBondContact N-O 2.92Å; I320-G336 PolarHBondContact O-N 2.85Å; I320-L507 HydrophobicContact CB-CD1 4.22Å; I320-L507 HydrophobicContact CD1-CD1 3.87Å; I320-L507 HydrophobicContact CG2-CD1 3.64Å; I320-F510 HydrophobicContact CG2-CD1 4.04Å; I320-F510 HydrophobicContact CG2-CE1 4.16Å; I320-L514 HydrophobicContact CD1-CD1 3.96Å; I320-L514 HydrophobicContact CG1-CD1 4.2Å
321	S	94.1	Very high	87.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.2	-169.7	-178	0	0	0	0	111.9	A306 D323 N326 S333	A306-S321 PolarHBondContact N-O 3.42Å; A306-S321 PolarHBondContact O-N 3.46Å; S321-D323 PolarHBondContact O-N 2.74Å; S321-D323 PolarHBondContact OG-N 2.94Å; S321-D323 VanDerWaalsContact OG-N 3.15Å; S321-D323 PolarHBondContact OG-O 3.03Å; S321-N326 PolarHBondContact OG-O 3.01Å; S321-S333 WeakPolarHBondContact CA-O 3.48Å; S321-S333 PolarHBondContact OG-O 3.24Å; S321-S333 PolarHBondContact OG-OG 3.4Å
322	C	91.9	Very high	87.8	Confident	18 Å²	18	55.8 Å²	55.8	12%	0.122	30%	0.297	C	S	.	.	S	Bend	trans	-75.3	3.6	168.9	-58.5	0	0	0	0	113.2	L258 I262 F303 S333 T335	L258-C322 HydrophobicContact CD2-CB 4.11Å; I262-C322 WeakPolarHBondContact CD1-SG 3.31Å; F303-C322 WeakPolarHBondContact CE1-O 3.42Å; C322-S333 PolarHBondContact N-O 2.67Å; C322-T335 PolarHBondContact N-OG1 2.69Å; C322-T335 PolarHBondContact SG-OG1 3.22Å
323	D	90.7	Very high	87.9	Confident	44 Å²	44	45.4 Å²	45.4	24%	0.235	26%	0.261	C	S	.	.			trans	-126.6	123.5	-177.2	177.7	0.2	0	0	0	110.3	S321 T325 N326 S333	S321-D323 PolarHBondContact O-N 2.74Å; S321-D323 PolarHBondContact OG-N 2.94Å; S321-D323 VanDerWaalsContact OG-N 3.15Å; S321-D323 PolarHBondContact OG-O 3.03Å; D323-T325 VanDerWaalsContact CG-OG1 3.31Å; D323-T325 PolarHBondContact O-N 2.85Å; D323-T325 WeakPolarHBondContact OD1-CA 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.37Å; D323-T325 PolarHBondContact OD1-N 2.82Å; D323-T325 PolarHBondContact OD1-OG1 2.84Å; D323-T325 PolarHBondContact OD2-OG1 2.84Å; D323-N326 PolarHBondContact OD1-N 2.81Å; D323-N326 WeakPolarHBondContact OD2-CB 3.15Å; D323-N326 PolarHBondContact OD2-N 3.43Å; D323-S333 VanDerWaalsContact CB-OG 3.29Å; D323-S333 WeakPolarHBondContact CB-OG 3.49Å
324	A	89.8	Confident	88.1	Confident	36 Å²	36	43.6 Å²	43.6	30%	0.298	25%	0.248	S	C	.	.	S	Bend	trans	-68.3	-20.3	178	0	0	0	0	0	113.8	Y292 F303	Y292-A324 HydrophobicContact CD1-CB 4.07Å; Y292-A324 HydrophobicContact CE1-CB 3.84Å; F303-A324 HydrophobicContact CE1-CB 4.07Å; F303-A324 HydrophobicContact CE2-CB 4Å; F303-A324 HydrophobicContact CZ-CB 3.76Å
325	T	87.3	Confident	88.4	Confident	127 Å²	127	37.5 Å²	37.5	78%	0.779	21%	0.211	S	C	*	.	S	Bend	trans	-94.8	-39.3	-176.3	74.1	0	0	0	0	112.5	D323	D323-T325 VanDerWaalsContact CG-OG1 3.31Å; D323-T325 PolarHBondContact O-N 2.85Å; D323-T325 WeakPolarHBondContact OD1-CA 3.25Å; D323-T325 WeakPolarHBondContact OD1-CB 3.37Å; D323-T325 PolarHBondContact OD1-N 2.82Å; D323-T325 PolarHBondContact OD1-OG1 2.84Å; D323-T325 PolarHBondContact OD2-OG1 2.84Å
326	N	86.5	Confident	88.5	Confident	67 Å²	67	36.2 Å²	36.2	36%	0.358	20%	0.203	S	C	.	.			trans	-109.3	98.8	-175.5	-163.5	-9.8	0	0	0	113	S321 D323 S328 A331	S321-N326 PolarHBondContact OG-O 3.01Å; D323-N326 PolarHBondContact OD1-N 2.81Å; D323-N326 WeakPolarHBondContact OD2-CB 3.15Å; D323-N326 PolarHBondContact OD2-N 3.43Å; N326-S328 PolarHBondContact OD1-N 3.43Å; N326-A331 HydrophobicContact CB-CB 4.34Å
327	L	84.8	Confident	88.7	Confident	39 Å²	39	38 Å²	38	20%	0.204	21%	0.209	C	C	.	.			trans	-104.8	36.3	178.1	-73.3	162.1	0	0	0	112.5	A306 R308	A306-L327 HydrophobicContact CB-CD1 4.47Å; A306-L327 HydrophobicContact CB-CD2 3.92Å; A306-L327 HydrophobicContact CB-CG 4.48Å; R308-L327 HydrophobicContact CB-CD1 4.06Å
328	S	82.6	Confident	88.8	Confident	42 Å²	42	37.8 Å²	37.8	29%	0.294	21%	0.208	S	C	.	.			trans	-85.5	164.9	169.3	-159.3	0	0	0	0	112.6	N326 D330	N326-S328 PolarHBondContact OD1-N 3.43Å; S328-D330 PolarHBondContact OG-OD2 3.1Å
329	R	80.7	Confident	88.8	Confident	87 Å²	87	42.9 Å²	42.9	33%	0.328	23%	0.227	S	C	.	.	S	Bend	trans	-75.5	-31.2	168.1	-78.7	-178.6	179.6	174.1	-1.2	111.9	N317 V319 A331 F334	N317-R329 PolarHBondContact OD1-NH2 3.29Å; V319-R329 HydrophobicContact CG2-CG 4.01Å; R329-A331 VanDerWaalsContact C-N 3.27Å; R329-F334 HydrophobicContact CG-CE2 4.5Å
330	D	81.2	Confident	88.7	Confident	106 Å²	106	43 Å²	43	57%	0.567	23%	0.229	S	C	*	.	S	Bend	trans	-89.5	2.1	-174.4	-31.3	-79.5	0	0	0	112	S328	S328-D330 PolarHBondContact OG-OD2 3.1Å
331	A	82.7	Confident	88.5	Confident	6 Å²	6	45.5 Å²	45.5	5%	0.05	24%	0.242	C	C	.	.			trans	-66.8	140	176.6	0	0	0	0	0	110.8	N326 R329 S333 F334	N326-A331 HydrophobicContact CB-CB 4.34Å; R329-A331 VanDerWaalsContact C-N 3.27Å; A331-S333 PolarHBondContact O-N 3.36Å; A331-F334 WeakPolarHBondContact O-CB 3.26Å; A331-F334 PolarHBondContact O-N 3.02Å
332	I	82.4	Confident	88	Confident	137 Å²	137	52.8 Å²	52.8	70%	0.703	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.4	176.3	-61.7	169.4	0	0	0	110.2	F334 K379	I332-F334 PolarHBondContact O-N 3.22Å; I332-K379 PolarHBondContact O-NZ 3.19Å
333	S	85.5	Confident	87.7	Confident	19 Å²	19	56.2 Å²	56.2	13%	0.133	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	3.4	176.1	41.3	0	0	0	0	115.5	S321 C322 D323 A331 T335	S321-S333 WeakPolarHBondContact CA-O 3.48Å; S321-S333 PolarHBondContact OG-O 3.24Å; S321-S333 PolarHBondContact OG-OG 3.4Å; C322-S333 PolarHBondContact N-O 2.67Å; D323-S333 VanDerWaalsContact CB-OG 3.29Å; D323-S333 WeakPolarHBondContact CB-OG 3.49Å; A331-S333 PolarHBondContact O-N 3.36Å; S333-T335 PolarHBondContact O-N 3.39Å; S333-T335 PolarHBondContact O-OG1 2.65Å
334	F	89.9	Confident	87.4	Confident	3 Å²	3	54.4 Å²	54.4	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	116	176.1	175.9	-101.1	0	0	0	111.6	V319 R329 A331 I332 G336 K337 M383	V319-F334 HydrophobicContact CG1-CD2 3.88Å; V319-F334 HydrophobicContact CG1-CE2 4.05Å; R329-F334 HydrophobicContact CG-CE2 4.5Å; A331-F334 WeakPolarHBondContact O-CB 3.26Å; A331-F334 PolarHBondContact O-N 3.02Å; I332-F334 PolarHBondContact O-N 3.22Å; F334-G336 WeakPolarHBondContact CE2-O 3.12Å; F334-G336 WeakPolarHBondContact CZ-O 3.18Å; F334-K337 HydrophobicContact CZ-CB 4.41Å; F334-M383 HydrophobicContact CE1-CE 3.68Å; F334-M383 HydrophobicContact CE1-SD 3.84Å; F334-M383 HydrophobicContact CZ-CE 3.71Å; F334-M383 HydrophobicContact CZ-SD 4.02Å
335	T	90.9	Very high	87.3	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-36.5	-176.9	-23	0	0	0	0	112.9	I262 I320 C322 S333 G351 C352 L507	I262-T335 HydrophobicContact CD1-CG2 3.49Å; I262-T335 VanDerWaalsContact CD1-CG2 3.49Å; I262-T335 HydrophobicContact CG1-CG2 4.21Å; I320-T335 PolarHBondContact O-N 3.05Å; I320-T335 VanDerWaalsContact O-N 3.09Å; C322-T335 PolarHBondContact N-OG1 2.69Å; C322-T335 PolarHBondContact SG-OG1 3.22Å; S333-T335 PolarHBondContact O-N 3.39Å; S333-T335 PolarHBondContact O-OG1 2.65Å; T335-G351 CarbonylContact O-C 3.57Å; T335-G351 WeakPolarHBondContact O-CA 3.28Å; T335-C352 PolarHBondContact O-N 2.81Å; T335-L507 HydrophobicContact CG2-CD2 4.06Å
336	G	92.3	Very high	87.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	174.3	-166.9	0	0	0	0	0	115.8	I320 F334 Y350	I320-G336 PolarHBondContact N-O 2.92Å; I320-G336 PolarHBondContact O-N 2.85Å; F334-G336 WeakPolarHBondContact CE2-O 3.12Å; F334-G336 WeakPolarHBondContact CZ-O 3.18Å; G336-Y350 CarbonylContact C-O 3.56Å; G336-Y350 WeakPolarHBondContact CA-O 3.34Å
337	K	93.5	Very high	87.9	Confident	47 Å²	47	46 Å²	46	20%	0.204	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.3	178.3	72.5	-160.7	176.2	-154.6	0	111.2	Y318 F334 Y350 M383	Y318-K337 VanDerWaalsContact O-CA 3.24Å; Y318-K337 WeakPolarHBondContact O-CA 3.49Å; F334-K337 HydrophobicContact CZ-CB 4.41Å; K337-Y350 HydrophobicContact CD-CD2 4.08Å; K337-Y350 HydrophobicContact CD-CG 4.47Å; K337-Y350 VanDerWaalsContact CE-CG 3.4Å; K337-Y350 HydrophobicContact CG-CD2 3.64Å; K337-Y350 HydrophobicContact CG-CG 4.21Å; K337-Y350 PolarHBondContact N-O 2.82Å; K337-Y350 PolarHBondContact O-N 3.33Å; K337-M383 HydrophobicContact CB-CE 4.46Å; K337-M383 HydrophobicContact CD-CE 3.94Å; K337-M383 HydrophobicContact CD-SD 3.66Å; K337-M383 HydrophobicContact CG-CE 3.99Å; K337-M383 HydrophobicContact CG-SD 4.38Å; K337-M383 PolarHBondContact NZ-SD 3.3Å
338	L	94.6	Very high	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.4	161.8	-175.3	76.1	0	0	0	107.6	N317 Y318 F347 T348 V349 I389 L514	N317-L338 CarbonylContact C-O 3.59Å; N317-L338 VanDerWaalsContact CA-O 3.3Å; N317-L338 WeakPolarHBondContact CA-O 3.37Å; Y318-L338 HydrophobicContact CD2-CB 4.36Å; Y318-L338 HydrophobicContact CD2-CD2 3.94Å; Y318-L338 HydrophobicContact CE2-CD2 4.28Å; Y318-L338 PolarHBondContact N-O 2.74Å; Y318-L338 PolarHBondContact O-N 2.93Å; Y318-L338 VanDerWaalsContact O-N 3.11Å; L338-F347 HydrophobicContact CD1-CB 3.92Å; L338-F347 HydrophobicContact CD1-CD1 4.47Å; L338-F347 HydrophobicContact CD2-CD1 3.99Å; L338-F347 HydrophobicContact CG-CB 4.43Å; L338-F347 HydrophobicContact CG-CD1 4.14Å; L338-T348 WeakPolarHBondContact CA-O 3.41Å; L338-V349 HydrophobicContact CD1-CG2 3.58Å; L338-I389 HydrophobicContact CD1-CD1 4.49Å; L338-L514 HydrophobicContact CD2-CB 3.9Å
339	R	93.4	Very high	89	Confident	113 Å²	113	42.6 Å²	42.6	43%	0.426	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.5	172.6	-178.4	172.7	178.7	148.8	-2.6	109.6	D161 F347 T348 Y350	D161-R339 IonicContact OD2-NH1 2.69Å; R339-F347 CarbonylContact O-C 3.49Å; R339-F347 VanDerWaalsContact O-CA 3.31Å; R339-F347 WeakPolarHBondContact O-CA 3.29Å; R339-T348 PolarHBondContact N-O 2.91Å; R339-T348 PolarHBondContact O-N 3.5Å; R339-Y350 HydrophobicContact CB-CE2 4.21Å
340	S	92.5	Very high	89.6	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	159.1	169.6	78	0	0	0	0	112	T315 S316 H346 F347	T315-S340 VanDerWaalsContact CB-O 3.3Å; T315-S340 WeakPolarHBondContact CB-O 3.27Å; T315-S340 WeakPolarHBondContact CB-OG 3.25Å; T315-S340 PolarHBondContact OG1-O 2.9Å; S316-S340 PolarHBondContact N-OG 2.71Å; S316-S340 PolarHBondContact O-N 3.03Å; S316-S340 PolarHBondContact O-OG 3.21Å; S340-H346 CarbonylContact C-O 3.56Å; S340-H346 VanDerWaalsContact CA-O 3.31Å; S340-H346 WeakPolarHBondContact CA-O 2.99Å; S340-F347 VanDerWaalsContact CB-CD1 3.48Å; S340-F347 VanDerWaalsContact CB-CE1 3.45Å
341	N	90.4	Very high	90	Very high	52 Å²	52	34.2 Å²	34.2	28%	0.278	17%	0.166	S	C	.	.			trans	-71.7	174.1	157.2	75.2	-13.4	0	0	0	110.9	L343 G344 T345 H346	N341-L343 VanDerWaalsContact C-N 3.29Å; N341-L343 PolarHBondContact O-N 2.87Å; N341-G344 PolarHBondContact O-N 2.92Å; N341-G344 PolarHBondContact OD1-N 2.92Å; N341-T345 PolarHBondContact ND2-OG1 3.27Å; N341-T345 PolarHBondContact OD1-N 3.3Å; N341-H346 HydrophobicContact CB-CB 4.27Å; N341-H346 PolarHBondContact N-O 2.93Å; N341-H346 PolarHBondContact ND2-ND1 3.15Å; N341-H346 PolarHBondContact OD1-N 3.43Å; N341-H346 VanDerWaalsContact OD1-N 3.08Å; N341-H346 PolarHBondContact OD1-O 2.79Å
342	F	85.4	Confident	90	Very high	152 Å²	152	34.9 Å²	34.9	67%	0.667	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.4	-177.1	-175.3	-102.7	0	0	0	114	T314 T315	T314-F342 HydrophobicContact CG2-CE2 4.38Å; T315-F342 HydrophobicContact CG2-CB 4.45Å
343	L	84.6	Confident	89.4	Confident	90 Å²	90	32.3 Å²	32.3	47%	0.471	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.3	-179.1	-60.6	176.4	0	0	0	114	N341 T345	N341-L343 VanDerWaalsContact C-N 3.29Å; N341-L343 PolarHBondContact O-N 2.87Å; L343-T345 HydrophobicContact CB-CG2 3.73Å; L343-T345 PolarHBondContact O-N 2.92Å
344	G	85	Confident	88.2	Confident	6 Å²	6	35.1 Å²	35.1	6%	0.062	17%	0.168	C	C	.	.	S	Bend	trans	66.8	21.3	-170.8	0	0	0	0	0	113.7	N341 F347 K520	N341-G344 PolarHBondContact O-N 2.92Å; N341-G344 PolarHBondContact OD1-N 2.92Å; G344-F347 WeakPolarHBondContact O-CE2 3.42Å; G344-K520 WeakPolarHBondContact O-CG 3.35Å
345	T	88	Confident	86.4	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.031	19%	0.19	C	C	.	.	S	Bend	trans	-99.2	-27.4	-176.1	60.9	0	0	0	0	112.8	N341 L343 Y391 T393 A522	N341-T345 PolarHBondContact ND2-OG1 3.27Å; N341-T345 PolarHBondContact OD1-N 3.3Å; L343-T345 HydrophobicContact CB-CG2 3.73Å; L343-T345 PolarHBondContact O-N 2.92Å; T345-Y391 PolarHBondContact O-N 2.82Å; T345-T393 HydrophobicContact CG2-CG2 3.32Å; T345-A522 HydrophobicContact CG2-CB 3.93Å
346	H	91.8	Very high	83.9	Confident	48 Å²	48	44 Å²	44	22%	0.222	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.9	176.2	-62.8	54.5	0	0	0	108.7	S340 N341 I389	S340-H346 CarbonylContact C-O 3.56Å; S340-H346 VanDerWaalsContact CA-O 3.31Å; S340-H346 WeakPolarHBondContact CA-O 2.99Å; N341-H346 HydrophobicContact CB-CB 4.27Å; N341-H346 PolarHBondContact N-O 2.93Å; N341-H346 PolarHBondContact ND2-ND1 3.15Å; N341-H346 PolarHBondContact OD1-N 3.43Å; N341-H346 VanDerWaalsContact OD1-N 3.08Å; N341-H346 PolarHBondContact OD1-O 2.79Å; H346-I389 CarbonylContact C-O 3.53Å; H346-I389 WeakPolarHBondContact CA-O 3.16Å
347	F	94.5	Very high	81.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	175.2	-58.5	-107.1	0	0	0	110.4	L338 R339 S340 G344 A388 I389 Y391 D518	L338-F347 HydrophobicContact CD1-CB 3.92Å; L338-F347 HydrophobicContact CD1-CD1 4.47Å; L338-F347 HydrophobicContact CD2-CD1 3.99Å; L338-F347 HydrophobicContact CG-CB 4.43Å; L338-F347 HydrophobicContact CG-CD1 4.14Å; R339-F347 CarbonylContact O-C 3.49Å; R339-F347 VanDerWaalsContact O-CA 3.31Å; R339-F347 WeakPolarHBondContact O-CA 3.29Å; S340-F347 VanDerWaalsContact CB-CD1 3.48Å; S340-F347 VanDerWaalsContact CB-CE1 3.45Å; G344-F347 WeakPolarHBondContact O-CE2 3.42Å; F347-A388 CarbonylContact O-C 3.54Å; F347-A388 WeakPolarHBondContact O-CA 3.46Å; F347-I389 HydrophobicContact CB-CB 4.37Å; F347-I389 HydrophobicContact CB-CD1 4.41Å; F347-I389 PolarHBondContact N-O 3.3Å; F347-I389 PolarHBondContact O-N 3.06Å; F347-Y391 HydrophobicContact CD2-CD2 4.06Å; F347-Y391 AromaticContact CD2-CE2 3.93Å; F347-Y391 HydrophobicContact CD2-CE2 3.93Å; F347-Y391 AromaticContact CE2-CD2 3.77Å; F347-Y391 HydrophobicContact CE2-CD2 3.77Å; F347-Y391 AromaticContact CE2-CE2 3.68Å; F347-Y391 HydrophobicContact CE2-CE2 3.68Å; F347-D518 HydrophobicContact CE1-CB 4.14Å; F347-D518 HydrophobicContact CZ-CB 4.12Å
348	T	94.9	Very high	79	Confident	10 Å²	10	58.5 Å²	58.5	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128	173	-48.1	0	0	0	0	109.8	L338 R339 Y350 E385	L338-T348 WeakPolarHBondContact CA-O 3.41Å; R339-T348 PolarHBondContact N-O 2.91Å; R339-T348 PolarHBondContact O-N 3.5Å; T348-Y350 HydrophobicContact CG2-CD1 4.31Å; T348-Y350 HydrophobicContact CG2-CD2 4.16Å; T348-Y350 HydrophobicContact CG2-CE1 3.81Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 HydrophobicContact CG2-CG 4.47Å; T348-Y350 VanDerWaalsContact CG2-CZ 3.44Å; T348-E385 HydrophobicContact CG2-CB 4.41Å; T348-E385 HydrophobicContact CG2-CG 3.79Å
349	V	95.1	Very high	76.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.3	169.6	-175.8	0	0	0	0	107.5	L338 L386 A387 I389	L338-V349 HydrophobicContact CD1-CG2 3.58Å; V349-L386 HydrophobicContact CG1-CB 4.33Å; V349-L386 PolarHBondContact O-N 2.88Å; V349-A387 HydrophobicContact CB-CB 4.09Å; V349-A387 HydrophobicContact CG2-CB 4.01Å; V349-A387 PolarHBondContact N-O 2.85Å; V349-A387 PolarHBondContact O-N 3.38Å; V349-I389 HydrophobicContact CG2-CD1 3.85Å
350	Y	92.6	Very high	73.8	Confident	16 Å²	16	66.8 Å²	66.8	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.4	170.8	-44.3	-107.5	0	0	0	110	G336 K337 R339 T348 Q384 E385 T425	G336-Y350 CarbonylContact C-O 3.56Å; G336-Y350 WeakPolarHBondContact CA-O 3.34Å; K337-Y350 HydrophobicContact CD-CD2 4.08Å; K337-Y350 HydrophobicContact CD-CG 4.47Å; K337-Y350 VanDerWaalsContact CE-CG 3.4Å; K337-Y350 HydrophobicContact CG-CD2 3.64Å; K337-Y350 HydrophobicContact CG-CG 4.21Å; K337-Y350 PolarHBondContact N-O 2.82Å; K337-Y350 PolarHBondContact O-N 3.33Å; R339-Y350 HydrophobicContact CB-CE2 4.21Å; T348-Y350 HydrophobicContact CG2-CD1 4.31Å; T348-Y350 HydrophobicContact CG2-CD2 4.16Å; T348-Y350 HydrophobicContact CG2-CE1 3.81Å; T348-Y350 HydrophobicContact CG2-CE2 3.66Å; T348-Y350 HydrophobicContact CG2-CG 4.47Å; T348-Y350 VanDerWaalsContact CG2-CZ 3.44Å; Y350-Q384 CarbonylContact C-O 3.56Å; Y350-Q384 WeakPolarHBondContact CA-O 3.37Å; Y350-Q384 WeakPolarHBondContact CB-O 3.49Å; Y350-E385 HydrophobicContact CD1-CG 3.68Å; Y350-E385 HydrophobicContact CE1-CG 3.55Å; Y350-T425 PolarHBondContact OH-O 2.82Å
351	G	90.3	Very high	71.1	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	158.6	174.5	0	0	0	0	0	112.5	T335 M383 Q384	T335-G351 CarbonylContact O-C 3.57Å; T335-G351 WeakPolarHBondContact O-CA 3.28Å; G351-M383 CarbonylContact O-C 3.58Å; G351-M383 WeakPolarHBondContact O-CA 3.17Å; G351-Q384 PolarHBondContact N-O 3.4Å; G351-Q384 PolarHBondContact O-N 2.88Å
352	C	82.5	Confident	68.7	Low	21 Å²	21	75 Å²	75	14%	0.142	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.4	167.8	-62.3	0	0	0	0	109.4	T335	T335-C352 PolarHBondContact O-N 2.81Å
353	E	69.8	Low	66.1	Low	82 Å²	82	75.5 Å²	75.5	38%	0.383	39%	0.387	S	S	.	.			trans	-70.8	130.5	171.5	-179.7	177	-120	0	0	110.8	K355 Q384	E353-K355 VanDerWaalsContact C-N 3.25Å; E353-K355 HydrophobicContact CG-CG 4.19Å; E353-K355 PolarHBondContact O-N 2.99Å; E353-K355 WeakPolarHBondContact OE2-CE 3.16Å; E353-Q384 PolarHBondContact OE1-NE2 3.42Å; E353-Q384 PolarHBondContact OE2-NE2 2.78Å
354	L	60.6	Low	64	Low	78 Å²	78	75.7 Å²	75.7	41%	0.408	40%	0.396	S	S	.	.			trans	-80.4	69.4	179	-161.8	78	0	0	0	111.1	E259 E260 S356	E259-L354 HydrophobicContact CB-CD1 3.76Å; E260-L354 HydrophobicContact CB-CD2 4.17Å; L354-S356 PolarHBondContact O-N 3.36Å
355	K	51.4	Low	61.5	Low	110 Å²	110	78.8 Å²	78.8	48%	0.478	43%	0.428	S	S	.	.			trans	-61.3	121.9	171.4	-67.9	-174	178.1	-179.2	0	109.5	E353 R357	E353-K355 VanDerWaalsContact C-N 3.25Å; E353-K355 HydrophobicContact CG-CG 4.19Å; E353-K355 PolarHBondContact O-N 2.99Å; E353-K355 WeakPolarHBondContact OE2-CE 3.16Å; K355-R357 PolarHBondContact O-N 2.9Å
356	S	39.2	Very low	59.2	Low	86 Å²	86	85.9 Å²	85.9	60%	0.601	47%	0.465	S	S	*	.			trans	-51.8	122.8	-179.3	-51.9	0	0	0	0	110.6	L354 D358	L354-S356 PolarHBondContact O-N 3.36Å; S356-D358 PolarHBondContact O-N 2.62Å
357	R	42.2	Very low	56.6	Low	226 Å²	226	92.6 Å²	92.6	85%	0.853	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-0.3	-162.6	-138.5	170.7	73.7	-178.8	4.4	114.4	K355	K355-R357 PolarHBondContact O-N 2.9Å
358	D	40.5	Very low	54	Low	126 Å²	126	98.6 Å²	98.6	67%	0.674	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.7	-170.4	-44.1	-61.4	0	0	0	113.3	S356 S361	S356-D358 PolarHBondContact O-N 2.62Å; D358-S361 PolarHBondContact O-OG 3.45Å
359	N	36.4	Very low	51.6	Low	146 Å²	146	102.2 Å²	102.2	78%	0.781	55%	0.549	S	S	*	.	S	Bend	trans	-112.5	-2.3	-174.8	-80.8	-42.3	0	0	0	116.2
360	E	42.8	Very low	49.5	Very low	142 Å²	142	110.4 Å²	110.4	66%	0.664	59%	0.593	S	S	*	*	S	Bend	trans	-100	9	168.6	-73.3	-164.7	149.6	0	0	112.9	L362	E360-L362 PolarHBondContact O-N 2.88Å; E360-L362 VanDerWaalsContact O-N 3.15Å
361	S	35.9	Very low	47.8	Very low	88 Å²	88	114.1 Å²	114.1	62%	0.615	62%	0.621	S	S	*	*	S	Bend	trans	-79.4	18.6	179.4	58.7	0	0	0	0	114.5	D358	D358-S361 PolarHBondContact O-OG 3.45Å
362	L	38.7	Very low	45.6	Very low	142 Å²	142	117.5 Å²	117.5	74%	0.743	66%	0.656	S	S	*	*	S	Bend	trans	-161.3	152.5	159.9	-128.5	67.9	0	0	0	109	E360	E360-L362 PolarHBondContact O-N 2.88Å; E360-L362 VanDerWaalsContact O-N 3.15Å
363	N	32.2	Very low	43.6	Very low	162 Å²	162	121.2 Å²	121.2	87%	0.866	68%	0.678	S	S	*	*	S	Bend	trans	79.8	0.9	171.7	-53.8	-26.2	0	0	0	120.6
364	S	40.4	Very low	42.6	Very low	95 Å²	95	124.6 Å²	124.6	66%	0.664	70%	0.698	S	S	*	*	S	Bend	trans	-95.7	109.8	156.1	-164.5	0	0	0	0	109.4	N366	S364-N366 PolarHBondContact O-N 2.82Å; S364-N366 VanDerWaalsContact O-N 3.1Å
365	G	32.4	Very low	41.6	Very low	70 Å²	70	127.4 Å²	127.4	72%	0.722	71%	0.707	S	S	*	*			trans	-69	107.4	-171.5	0	0	0	0	0	112.4	K367	G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 2.8Å
366	N	38.5	Very low	41.4	Very low	154 Å²	154	125.4 Å²	125.4	82%	0.824	70%	0.704	S	S	*	*			trans	-58	91.5	171	-85.7	-25.4	0	0	0	110.8	S364 V368	S364-N366 PolarHBondContact O-N 2.82Å; S364-N366 VanDerWaalsContact O-N 3.1Å; N366-V368 PolarHBondContact O-N 2.93Å
367	K	37.1	Very low	41.7	Very low	190 Å²	190	125.6 Å²	125.6	83%	0.826	70%	0.701	S	S	*	*			trans	-69.8	84.1	162.9	-80.2	-169.5	172.8	-176.2	0	108.7	G365 N369	G365-K367 VanDerWaalsContact C-N 3.33Å; G365-K367 PolarHBondContact O-N 2.8Å; K367-N369 PolarHBondContact O-N 3.4Å
368	V	41.2	Very low	42.1	Very low	126 Å²	126	118.3 Å²	118.3	76%	0.764	69%	0.685	S	S	*	*			trans	-60.4	105.2	162.7	179.9	0	0	0	0	106.7	N366	N366-V368 PolarHBondContact O-N 2.93Å
369	N	43.6	Very low	42.8	Very low	85 Å²	85	115.9 Å²	115.9	46%	0.455	67%	0.669	S	S	.	*			trans	-70.2	150.4	164.5	-56.6	-46.5	0	0	0	107.9	K367 S371	K367-N369 PolarHBondContact O-N 3.4Å; N369-S371 PolarHBondContact O-N 3.15Å
370	D	52.3	Low	43.8	Very low	172 Å²	172	112.1 Å²	112.1	92%	0.92	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	44.3	-170.3	-155.6	21.1	0	0	0	113.5
371	S	55.3	Low	44.4	Very low	94 Å²	94	112.4 Å²	112.4	66%	0.657	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.6	17.3	-169.7	-42.4	0	0	0	0	112.6	N369 T373	N369-S371 PolarHBondContact O-N 3.15Å; S371-T373 PolarHBondContact O-N 2.95Å; S371-T373 PolarHBondContact O-OG1 2.87Å; S371-T373 VanDerWaalsContact O-OG1 3.05Å
372	G	45.7	Very low	45.8	Very low	72 Å²	72	112.1 Å²	112.1	74%	0.742	64%	0.644	S	S	*	*			trans	63.4	-7.5	171.5	0	0	0	0	0	117.9	I374	G372-I374 PolarHBondContact O-N 2.79Å
373	T	39.6	Very low	47.7	Very low	99 Å²	99	106.5 Å²	106.5	61%	0.607	61%	0.614	S	S	*	*			trans	-91.4	110.2	-167.5	-58	0	0	0	0	111.8	S371 K375	S371-T373 PolarHBondContact O-N 2.95Å; S371-T373 PolarHBondContact O-OG1 2.87Å; S371-T373 VanDerWaalsContact O-OG1 3.05Å; T373-K375 PolarHBondContact O-N 2.92Å
374	I	47.9	Very low	50.3	Low	154 Å²	154	100.7 Å²	100.7	79%	0.79	58%	0.581	S	S	*	*			trans	-69	107	171.8	-57.9	174.5	0	0	0	108.9	G372 T376	G372-I374 PolarHBondContact O-N 2.79Å; I374-T376 PolarHBondContact O-N 3.1Å
375	K	41.6	Very low	52.7	Low	137 Å²	137	96.6 Å²	96.6	60%	0.596	55%	0.552	S	S	*	*			trans	-78.1	108.4	174.7	-69	-169.5	175.8	-173.8	0	110	T373 T377	T373-K375 PolarHBondContact O-N 2.92Å; K375-T377 HydrophobicContact CB-CG2 4.27Å; K375-T377 PolarHBondContact O-N 3.08Å
376	T	46.4	Very low	55.5	Low	68 Å²	68	93.5 Å²	93.5	42%	0.417	52%	0.519	S	S	.	.			trans	-73.1	17.6	177.9	48.6	0	0	0	0	114.3	I374 S378 K379	I374-T376 PolarHBondContact O-N 3.1Å; T376-S378 PolarHBondContact O-N 2.8Å; T376-K379 PolarHBondContact O-N 3.32Å
377	T	46.1	Very low	58.2	Low	89 Å²	89	86.1 Å²	86.1	55%	0.546	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-3.9	-168	48.1	0	0	0	0	115.4	K375 T380	K375-T377 HydrophobicContact CB-CG2 4.27Å; K375-T377 PolarHBondContact O-N 3.08Å; T377-T380 PolarHBondContact O-OG1 3.11Å
378	S	49.8	Very low	60.9	Low	73 Å²	73	77.1 Å²	77.1	51%	0.51	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-32.7	177.4	52.7	0	0	0	0	113.5	T376 T380 Q381	T376-S378 PolarHBondContact O-N 2.8Å; S378-T380 PolarHBondContact O-N 2.87Å; S378-T380 VanDerWaalsContact O-N 3.13Å; S378-Q381 PolarHBondContact O-N 2.81Å; S378-Q381 VanDerWaalsContact O-N 3.13Å
379	K	55.1	Low	63.5	Low	76 Å²	76	71.1 Å²	71.1	33%	0.33	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.6	-175.8	-88.6	-157.7	166.7	-159.5	0	113.8	I332 T376	I332-K379 PolarHBondContact O-NZ 3.19Å; T376-K379 PolarHBondContact O-N 3.32Å
380	T	56.7	Low	65.9	Low	67 Å²	67	67.5 Å²	67.5	41%	0.411	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-15	-178.2	50.2	0	0	0	0	114.4	T377 S378	T377-T380 PolarHBondContact O-OG1 3.11Å; S378-T380 PolarHBondContact O-N 2.87Å; S378-T380 VanDerWaalsContact O-N 3.13Å
381	Q	55.3	Low	67.7	Low	148 Å²	148	59.8 Å²	59.8	69%	0.692	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-32.1	179.9	-65.5	-171.8	-46.2	0	0	112.7	S378 M383	S378-Q381 PolarHBondContact O-N 2.81Å; S378-Q381 VanDerWaalsContact O-N 3.13Å; Q381-M383 VanDerWaalsContact C-N 3.32Å; Q381-M383 PolarHBondContact O-N 3.44Å
382	N	66	Low	69.2	Low	81 Å²	81	57.5 Å²	57.5	43%	0.433	32%	0.323	S	S	.	.	S	Bend	trans	-93.3	37.4	-179.8	-64.6	-19.3	0	0	0	112.8
383	M	79.3	Confident	70.7	Confident	24 Å²	24	57 Å²	57	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.9	-178.7	-65.9	-163.4	81.4	0	0	111.9	F334 K337 G351 Q381	F334-M383 HydrophobicContact CE1-CE 3.68Å; F334-M383 HydrophobicContact CE1-SD 3.84Å; F334-M383 HydrophobicContact CZ-CE 3.71Å; F334-M383 HydrophobicContact CZ-SD 4.02Å; K337-M383 HydrophobicContact CB-CE 4.46Å; K337-M383 HydrophobicContact CD-CE 3.94Å; K337-M383 HydrophobicContact CD-SD 3.66Å; K337-M383 HydrophobicContact CG-CE 3.99Å; K337-M383 HydrophobicContact CG-SD 4.38Å; K337-M383 PolarHBondContact NZ-SD 3.3Å; G351-M383 CarbonylContact O-C 3.58Å; G351-M383 WeakPolarHBondContact O-CA 3.17Å; Q381-M383 VanDerWaalsContact C-N 3.32Å; Q381-M383 PolarHBondContact O-N 3.44Å
384	Q	86.4	Confident	72.1	Confident	40 Å²	40	54.7 Å²	54.7	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	148.3	178.2	-59.9	-176.6	14.6	0	0	111.1	Y350 G351 E353 S419	Y350-Q384 CarbonylContact C-O 3.56Å; Y350-Q384 WeakPolarHBondContact CA-O 3.37Å; Y350-Q384 WeakPolarHBondContact CB-O 3.49Å; G351-Q384 PolarHBondContact N-O 3.4Å; G351-Q384 PolarHBondContact O-N 2.88Å; E353-Q384 PolarHBondContact OE1-NE2 3.42Å; E353-Q384 PolarHBondContact OE2-NE2 2.78Å; Q384-S419 PolarHBondContact NE2-OG 2.89Å; Q384-S419 VanDerWaalsContact OE1-CB 3.28Å; Q384-S419 PolarHBondContact OE1-OG 3.5Å
385	E	90.2	Very high	72.7	Confident	10 Å²	10	53 Å²	53	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	128.3	168.8	-69.9	-174.1	-165.2	0	0	110.6	T348 Y350 P409 T425 T426 W427 L428	T348-E385 HydrophobicContact CG2-CB 4.41Å; T348-E385 HydrophobicContact CG2-CG 3.79Å; Y350-E385 HydrophobicContact CD1-CG 3.68Å; Y350-E385 HydrophobicContact CE1-CG 3.55Å; E385-P409 WeakPolarHBondContact O-CG 3.38Å; E385-T425 VanDerWaalsContact OE1-O 3.07Å; E385-T426 WeakPolarHBondContact OE1-CA 3.48Å; E385-T426 PolarHBondContact OE1-N 2.99Å; E385-W427 PolarHBondContact OE1-N 3.43Å; E385-W427 PolarHBondContact OE2-N 2.8Å; E385-L428 HydrophobicContact CB-CD1 3.79Å; E385-L428 HydrophobicContact CB-CG 4.02Å; E385-L428 VanDerWaalsContact OE2-CB 3.29Å; E385-L428 WeakPolarHBondContact OE2-CB 3.37Å; E385-L428 WeakPolarHBondContact OE2-CG 3.12Å; E385-L428 PolarHBondContact OE2-N 2.86Å
386	L	91.9	Very high	73.6	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-26.4	179.8	-62.6	-176.3	0	0	0	113.3	M263 V349 P409 L507 Q508	M263-L386 HydrophobicContact CE-CD1 4Å; M263-L386 HydrophobicContact CE-CD2 4.21Å; M263-L386 HydrophobicContact SD-CD1 3.91Å; V349-L386 HydrophobicContact CG1-CB 4.33Å; V349-L386 PolarHBondContact O-N 2.88Å; L386-P409 WeakPolarHBondContact O-CD 3.38Å; L386-L507 HydrophobicContact CD1-CD2 3.68Å; L386-L507 HydrophobicContact CD1-CG 4.13Å; L386-Q508 HydrophobicContact CB-CG 3.88Å; L386-Q508 WeakPolarHBondContact O-CG 3.15Å; L386-Q508 PolarHBondContact O-NE2 2.84Å
387	A	94.7	Very high	74	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	144.6	173.4	0	0	0	0	0	110.4	V349 I389 I407 L408 Q508	V349-A387 HydrophobicContact CB-CB 4.09Å; V349-A387 HydrophobicContact CG2-CB 4.01Å; V349-A387 PolarHBondContact N-O 2.85Å; V349-A387 PolarHBondContact O-N 3.38Å; A387-I389 HydrophobicContact CB-CD1 4.41Å; A387-I407 CarbonylContact C-O 3.44Å; A387-I407 WeakPolarHBondContact CA-O 3.26Å; A387-L408 HydrophobicContact CB-CD2 3.54Å; A387-Q508 HydrophobicContact CB-CG 4.45Å
388	A	94.9	Very high	74.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.2	161.4	0	0	0	0	0	109.8	F347 I406 I407 L428 I429	F347-A388 CarbonylContact O-C 3.54Å; F347-A388 WeakPolarHBondContact O-CA 3.46Å; A388-I406 CarbonylContact O-C 3.51Å; A388-I406 WeakPolarHBondContact O-CA 3.22Å; A388-I407 HydrophobicContact CB-CB 4.32Å; A388-I407 PolarHBondContact N-O 3.45Å; A388-I407 PolarHBondContact O-N 3.27Å; A388-L428 HydrophobicContact CB-CB 4.03Å; A388-L428 HydrophobicContact CB-CD1 4.38Å; A388-I429 HydrophobicContact CB-CD1 4.18Å; A388-I429 HydrophobicContact CB-CG1 3.6Å
389	I	95.1	Very high	74.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126	178.4	-57.7	91.7	0	0	0	107.8	L338 H346 F347 V349 A387 Y391 M404 I406 I512	L338-I389 HydrophobicContact CD1-CD1 4.49Å; H346-I389 CarbonylContact C-O 3.53Å; H346-I389 WeakPolarHBondContact CA-O 3.16Å; F347-I389 HydrophobicContact CB-CB 4.37Å; F347-I389 HydrophobicContact CB-CD1 4.41Å; F347-I389 PolarHBondContact N-O 3.3Å; F347-I389 PolarHBondContact O-N 3.06Å; V349-I389 HydrophobicContact CG2-CD1 3.85Å; A387-I389 HydrophobicContact CB-CD1 4.41Å; I389-Y391 HydrophobicContact CG2-CD2 4.19Å; I389-Y391 HydrophobicContact CG2-CE2 3.73Å; I389-M404 HydrophobicContact CG2-CE 3.52Å; I389-M404 HydrophobicContact CG2-CG 4.13Å; I389-I406 HydrophobicContact CG1-CG1 4.28Å; I389-I406 HydrophobicContact CG2-CG1 4.48Å; I389-I512 HydrophobicContact CD1-CG1 4.04Å; I389-I512 HydrophobicContact CG1-CG1 3.96Å
390	I	93.3	Very high	75.1	Confident	9 Å²	9	57 Å²	57	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	-179.6	-55.7	179.6	0	0	0	108.1	M404 T405 W432	I390-M404 CarbonylContact O-C 3.59Å; I390-M404 WeakPolarHBondContact O-CA 3.48Å; I390-T405 PolarHBondContact N-O 3.04Å; I390-T405 PolarHBondContact O-N 2.71Å; I390-W432 HydrophobicContact CD1-CD2 4.31Å; I390-W432 HydrophobicContact CD1-CE3 3.54Å; I390-W432 HydrophobicContact CD1-CH2 3.97Å; I390-W432 HydrophobicContact CD1-CZ3 3.35Å
391	Y	90.5	Very high	75.4	Confident	10 Å²	10	55.5 Å²	55.5	4%	0.039	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.1	173.9	-68.7	-72.9	0	0	0	110.7	T345 F347 I389 R402 M404 S515 K520	T345-Y391 PolarHBondContact O-N 2.82Å; F347-Y391 HydrophobicContact CD2-CD2 4.06Å; F347-Y391 AromaticContact CD2-CE2 3.93Å; F347-Y391 HydrophobicContact CD2-CE2 3.93Å; F347-Y391 AromaticContact CE2-CD2 3.77Å; F347-Y391 HydrophobicContact CE2-CD2 3.77Å; F347-Y391 AromaticContact CE2-CE2 3.68Å; F347-Y391 HydrophobicContact CE2-CE2 3.68Å; I389-Y391 HydrophobicContact CG2-CD2 4.19Å; I389-Y391 HydrophobicContact CG2-CE2 3.73Å; Y391-R402 VanDerWaalsContact CD1-NE 3.29Å; Y391-M404 HydrophobicContact CD1-CB 3.85Å; Y391-M404 HydrophobicContact CD1-CG 3.85Å; Y391-M404 HydrophobicContact CD1-SD 4.42Å; Y391-M404 HydrophobicContact CE1-CB 3.84Å; Y391-M404 HydrophobicContact CE1-CE 4.06Å; Y391-M404 HydrophobicContact CE1-CG 3.49Å; Y391-M404 VanDerWaalsContact CE1-CG 3.49Å; Y391-M404 HydrophobicContact CE1-SD 3.49Å; Y391-M404 WeakPolarHBondContact CE1-SD 3.42Å; Y391-M404 WeakPolarHBondContact OH-CE 3.37Å; Y391-S515 PolarHBondContact OH-O 2.8Å; Y391-S515 PolarHBondContact OH-OG 3.08Å; Y391-K520 VanDerWaalsContact CE2-CE 3.43Å
392	D	86	Confident	76.3	Confident	47 Å²	47	50.4 Å²	50.4	25%	0.251	28%	0.276	S	S	.	.			trans	-67.4	143.9	174.6	-76.5	20.9	0	0	0	111.3	R403 C523	D392-R403 HydrophobicContact CB-CB 4.14Å; D392-R403 PolarHBondContact N-O 3.35Å; D392-R403 VanDerWaalsContact N-O 3.17Å; D392-R403 IonicContact OD2-CZ 3.65Å; D392-R403 IonicContact OD2-NE 3.75Å; D392-R403 PolarHBondContact OD2-NE 2.83Å; D392-R403 IonicContact OD2-NH2 3.98Å; D392-R403 PolarHBondContact OD2-NH2 2.83Å; D392-C523 PolarHBondContact O-SG 2.9Å
393	T	77.3	Confident	77.2	Confident	60 Å²	60	53.8 Å²	53.8	37%	0.368	28%	0.283	S	S	.	.			trans	-99.2	130.4	176.7	45.2	0	0	0	0	110.6	T345 V395 A522	T345-T393 HydrophobicContact CG2-CG2 3.32Å; T393-V395 PolarHBondContact O-N 2.83Å; T393-V395 VanDerWaalsContact OG1-CG2 3.32Å; T393-V395 WeakPolarHBondContact OG1-CG2 3.22Å; T393-A522 HydrophobicContact CG2-CB 3.77Å
394	N	69.6	Low	77.8	Confident	51 Å²	51	53 Å²	53	27%	0.273	28%	0.278	S	S	.	.			trans	-81.7	37.7	-174.9	-70.6	-13	0	0	0	112.9	L396 G397	N394-L396 PolarHBondContact O-N 2.81Å; N394-G397 PolarHBondContact O-N 2.88Å
395	V	59.8	Low	78.2	Confident	119 Å²	119	52 Å²	52	72%	0.721	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.2	-164.3	-167.2	0	0	0	0	114.4	T393	T393-V395 PolarHBondContact O-N 2.83Å; T393-V395 VanDerWaalsContact OG1-CG2 3.32Å; T393-V395 WeakPolarHBondContact OG1-CG2 3.22Å
396	L	61.7	Low	78.4	Confident	147 Å²	147	51.5 Å²	51.5	77%	0.77	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	10.4	-177.2	-78.4	128.8	0	0	0	114.4	N394 F398	N394-L396 PolarHBondContact O-N 2.81Å; L396-F398 HydrophobicContact CB-CD2 3.69Å; L396-F398 HydrophobicContact CB-CE2 3.67Å; L396-F398 PolarHBondContact O-N 2.84Å
397	G	54.2	Low	78.6	Confident	61 Å²	61	51.3 Å²	51.3	63%	0.629	27%	0.272	S	S	*	.			trans	69.1	17.4	176.6	0	0	0	0	0	114.7	N394 K399	N394-G397 PolarHBondContact O-N 2.88Å; G397-K399 PolarHBondContact O-N 2.87Å
398	F	56.5	Low	78.5	Confident	161 Å²	161	51.4 Å²	51.4	71%	0.706	27%	0.272	S	S	*	.			trans	-63.8	101	167.7	-72	-74.7	0	0	0	109.2	L396 G400	L396-F398 HydrophobicContact CB-CD2 3.69Å; L396-F398 HydrophobicContact CB-CE2 3.67Å; L396-F398 PolarHBondContact O-N 2.84Å; F398-G400 PolarHBondContact O-N 3.08Å; F398-G400 VanDerWaalsContact O-N 3.17Å
399	K	54.6	Low	78.3	Confident	140 Å²	140	51.5 Å²	51.5	61%	0.609	27%	0.273	S	S	*	.			trans	-62.2	114.5	172.5	-67.7	-171.4	174	-167.6	0	109	Q78 C80 G397	Q78-K399 HydrophobicContact CG-CB 4.39Å; Q78-K399 PolarHBondContact NE2-O 2.92Å; C80-K399 PolarHBondContact SG-NZ 3.35Å; G397-K399 PolarHBondContact O-N 2.87Å
400	G	62.4	Low	78	Confident	18 Å²	18	55.1 Å²	55.1	19%	0.186	29%	0.287	C	S	.	.			trans	-161.4	155.7	-177.7	0	0	0	0	0	112.2	F398 R402	F398-G400 PolarHBondContact O-N 3.08Å; F398-G400 VanDerWaalsContact O-N 3.17Å; G400-R402 PolarHBondContact O-N 2.92Å
401	P	64.2	Low	77.5	Confident	36 Å²	36	56 Å²	56	23%	0.234	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-49.2	137.8	164.6	-28.4	37	0	0	0	111.3	Y74 R403 P448	Y74-P401 HydrophobicContact CE1-CB 3.94Å; P401-R403 PolarHBondContact O-N 2.95Å; P401-P448 HydrophobicContact CB-CG 3.98Å; P401-P448 HydrophobicContact CG-CG 3.82Å
402	R	73.6	Confident	76.8	Confident	40 Å²	40	57.4 Å²	57.4	15%	0.151	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69.9	117.2	-176	-176.6	-164.4	-173.5	96.8	15.7	109.7	Y74 P77 Y391 G400 K520 C523	Y74-R402 PolarHBondContact OH-N 3.4Å; P77-R402 HydrophobicContact CG-CB 4.31Å; Y391-R402 VanDerWaalsContact CD1-NE 3.29Å; G400-R402 PolarHBondContact O-N 2.92Å; R402-K520 VanDerWaalsContact NH2-CD 3.32Å; R402-K520 VanDerWaalsContact NH2-CG 3.31Å; R402-C523 PolarHBondContact NH1-O 3.15Å; R402-C523 PolarHBondContact NH2-SG 3.17Å
403	R	86	Confident	76.1	Confident	153 Å²	153	59.2 Å²	59.2	58%	0.577	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-79.4	141.6	175.5	-59.3	-166.5	-57.2	-153.3	2.4	112.1	D392 P401 N445	D392-R403 HydrophobicContact CB-CB 4.14Å; D392-R403 PolarHBondContact N-O 3.35Å; D392-R403 VanDerWaalsContact N-O 3.17Å; D392-R403 IonicContact OD2-CZ 3.65Å; D392-R403 IonicContact OD2-NE 3.75Å; D392-R403 PolarHBondContact OD2-NE 2.83Å; D392-R403 IonicContact OD2-NH2 3.98Å; D392-R403 PolarHBondContact OD2-NH2 2.83Å; P401-R403 PolarHBondContact O-N 2.95Å; R403-N445 WeakPolarHBondContact CA-OD1 3.34Å
404	M	91	Very high	75.8	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	117.1	-178.8	178.7	-177.8	-177.1	0	0	108.2	I389 I390 Y391 I406 N445 F473 I475 I512	I389-M404 HydrophobicContact CG2-CE 3.52Å; I389-M404 HydrophobicContact CG2-CG 4.13Å; I390-M404 CarbonylContact O-C 3.59Å; I390-M404 WeakPolarHBondContact O-CA 3.48Å; Y391-M404 HydrophobicContact CD1-CB 3.85Å; Y391-M404 HydrophobicContact CD1-CG 3.85Å; Y391-M404 HydrophobicContact CD1-SD 4.42Å; Y391-M404 HydrophobicContact CE1-CB 3.84Å; Y391-M404 HydrophobicContact CE1-CE 4.06Å; Y391-M404 HydrophobicContact CE1-CG 3.49Å; Y391-M404 VanDerWaalsContact CE1-CG 3.49Å; Y391-M404 HydrophobicContact CE1-SD 3.49Å; Y391-M404 WeakPolarHBondContact CE1-SD 3.42Å; Y391-M404 WeakPolarHBondContact OH-CE 3.37Å; M404-I406 HydrophobicContact CE-CD1 3.9Å; M404-I406 HydrophobicContact CE-CG1 4.08Å; M404-I406 HydrophobicContact CG-CG1 4.43Å; M404-N445 HydrophobicContact CB-CB 4.24Å; M404-N445 PolarHBondContact N-OD1 2.77Å; M404-N445 PolarHBondContact O-N 2.67Å; M404-N445 PolarHBondContact O-OD1 3.48Å; M404-F473 HydrophobicContact CE-CE2 4.46Å; M404-F473 HydrophobicContact CE-CZ 4.23Å; M404-F473 HydrophobicContact SD-CZ 4.48Å; M404-I475 HydrophobicContact SD-CD1 4.28Å; M404-I512 HydrophobicContact CE-CG2 3.63Å
405	T	94	Very high	75.7	Confident	20 Å²	20	60.2 Å²	60.2	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.7	172.5	-58.1	0	0	0	0	108.6	I390 I407 W432 Q442	I390-T405 PolarHBondContact N-O 3.04Å; I390-T405 PolarHBondContact O-N 2.71Å; T405-I407 HydrophobicContact CG2-CD1 3.72Å; T405-W432 HydrophobicContact CG2-CZ2 4.41Å; T405-Q442 HydrophobicContact CG2-CG 3.88Å
406	I	95.4	Very high	76	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.2	175.3	-61.6	161.7	0	0	0	108.1	A388 I389 M404 L408 L443 I475 I512	A388-I406 CarbonylContact O-C 3.51Å; A388-I406 WeakPolarHBondContact O-CA 3.22Å; I389-I406 HydrophobicContact CG1-CG1 4.28Å; I389-I406 HydrophobicContact CG2-CG1 4.48Å; M404-I406 HydrophobicContact CE-CD1 3.9Å; M404-I406 HydrophobicContact CE-CG1 4.08Å; M404-I406 HydrophobicContact CG-CG1 4.43Å; I406-L408 HydrophobicContact CG2-CD2 3.92Å; I406-L408 HydrophobicContact CG2-CG 4.28Å; I406-L443 HydrophobicContact CB-CB 4.27Å; I406-L443 PolarHBondContact N-O 2.9Å; I406-L443 PolarHBondContact O-N 3.49Å; I406-I475 HydrophobicContact CD1-CB 4.39Å; I406-I475 HydrophobicContact CD1-CD1 3.47Å; I406-I475 VanDerWaalsContact CD1-CD1 3.47Å; I406-I475 HydrophobicContact CD1-CG1 3.62Å; I406-I475 HydrophobicContact CD1-CG2 3.85Å; I406-I512 HydrophobicContact CD1-CD1 4.2Å; I406-I512 HydrophobicContact CD1-CG1 4.32Å; I406-I512 HydrophobicContact CD1-CG2 3.64Å; I406-I512 HydrophobicContact CG1-CG2 4.48Å; I406-I512 HydrophobicContact CG2-CD1 3.92Å; I406-I512 HydrophobicContact CG2-CG1 4.29Å
407	I	95	Very high	76.3	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.4	177.1	-48.9	-56.1	0	0	0	107.8	A387 A388 T405 L428 W432 V440 L441 Q442	A387-I407 CarbonylContact C-O 3.44Å; A387-I407 WeakPolarHBondContact CA-O 3.26Å; A388-I407 HydrophobicContact CB-CB 4.32Å; A388-I407 PolarHBondContact N-O 3.45Å; A388-I407 PolarHBondContact O-N 3.27Å; T405-I407 HydrophobicContact CG2-CD1 3.72Å; I407-L428 HydrophobicContact CG2-CB 4.18Å; I407-L428 HydrophobicContact CG2-CD2 4.31Å; I407-W432 HydrophobicContact CD1-CB 4.03Å; I407-W432 HydrophobicContact CD1-CD2 4.08Å; I407-W432 HydrophobicContact CD1-CG 3.52Å; I407-W432 HydrophobicContact CG1-CB 4.01Å; I407-W432 HydrophobicContact CG1-CD2 4.38Å; I407-W432 HydrophobicContact CG1-CG 3.91Å; I407-W432 HydrophobicContact CG2-CB 4.23Å; I407-V440 HydrophobicContact CG2-CB 3.59Å; I407-V440 HydrophobicContact CG2-CG1 3.96Å; I407-V440 HydrophobicContact CG2-CG2 3.78Å; I407-L441 WeakPolarHBondContact CA-O 3.47Å; I407-Q442 HydrophobicContact CD1-CB 3.99Å; I407-Q442 HydrophobicContact CD1-CG 3.86Å
408	L	93.7	Very high	76.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.7	174	-56.9	-178.9	0	0	0	109.9	A387 I406 R410 V440 L441 L443 M504 Q508	A387-L408 HydrophobicContact CB-CD2 3.54Å; I406-L408 HydrophobicContact CG2-CD2 3.92Å; I406-L408 HydrophobicContact CG2-CG 4.28Å; L408-R410 PolarHBondContact O-N 2.98Å; L408-V440 WeakPolarHBondContact O-CA 3.41Å; L408-L441 HydrophobicContact CB-CB 4.48Å; L408-L441 PolarHBondContact N-O 2.77Å; L408-L441 PolarHBondContact O-N 3.36Å; L408-L443 HydrophobicContact CD1-CD1 3.81Å; L408-L443 HydrophobicContact CG-CD1 4.32Å; L408-M504 HydrophobicContact CD1-CE 4.34Å; L408-M504 HydrophobicContact CD1-CG 3.95Å; L408-Q508 HydrophobicContact CD2-CG 4.43Å
409	P	91.2	Very high	76.9	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.019	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.7	163.4	-2.2	14.4	0	0	0	108.3	E385 L386 H417 F418 L428	E385-P409 WeakPolarHBondContact O-CG 3.38Å; L386-P409 WeakPolarHBondContact O-CD 3.38Å; P409-H417 HydrophobicContact CB-CB 4.22Å; P409-H417 HydrophobicContact CG-CB 4.43Å; P409-H417 PolarHBondContact O-ND1 2.98Å; P409-F418 WeakPolarHBondContact CB-O 3.31Å; P409-L428 HydrophobicContact CB-CD2 4.15Å; P409-L428 HydrophobicContact CG-CD1 4.24Å; P409-L428 HydrophobicContact CG-CD2 3.95Å
410	R	87.1	Confident	77.2	Confident	75 Å²	75	46.1 Å²	46.1	28%	0.283	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-60.6	155	178.2	-171.9	170.3	168.6	138.1	-4.1	110	D240 L408 F418 Q438 S439	D240-R410 IonicContact OD1-CZ 2.85Å; D240-R410 IonicContact OD1-NH2 2.75Å; D240-R410 PolarHBondContact OD1-NH2 2.96Å; D240-R410 IonicContact OD2-CZ 2.77Å; D240-R410 VanDerWaalsContact OD2-CZ 3.26Å; D240-R410 IonicContact OD2-NH1 2.74Å; D240-R410 PolarHBondContact OD2-NH1 3.17Å; D240-R410 IonicContact OD2-NH2 2.77Å; D240-R410 PolarHBondContact OD2-NH2 2.87Å; L408-R410 PolarHBondContact O-N 2.98Å; R410-F418 HydrophobicContact CB-CD2 4.06Å; R410-F418 HydrophobicContact CB-CE2 4.45Å; R410-F418 WeakPolarHBondContact O-CD2 3.49Å; R410-F418 PolarHBondContact O-N 2.7Å; R410-Q438 WeakPolarHBondContact CD-O 3.46Å; R410-S439 WeakPolarHBondContact CB-O 3.45Å; R410-S439 PolarHBondContact N-O 3.44Å
411	L	84.3	Confident	76.9	Confident	27 Å²	27	50.4 Å²	50.4	14%	0.141	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-85.3	139.9	174.8	-69	178.6	0	0	0	110.8	P265 Q416 H417 F502 P503	P265-L411 HydrophobicContact CB-CD1 4.32Å; P265-L411 HydrophobicContact CG-CD1 4.03Å; P265-L411 HydrophobicContact CG-CD2 3.88Å; L411-Q416 WeakPolarHBondContact CA-O 3.26Å; L411-H417 HydrophobicContact CD2-CB 4.45Å; L411-H417 VanDerWaalsContact CD2-CE1 3.44Å; L411-H417 WeakPolarHBondContact CD2-CE1 3.24Å; L411-H417 WeakPolarHBondContact CD2-ND1 3.3Å; L411-F502 HydrophobicContact CD1-CD2 4.31Å; L411-F502 HydrophobicContact CD1-CE2 3.45Å; L411-F502 VanDerWaalsContact CD1-CE2 3.45Å; L411-F502 HydrophobicContact CD1-CZ 3.58Å; L411-P503 HydrophobicContact CD1-CB 3.51Å; L411-P503 HydrophobicContact CG-CB 4.16Å
412	S	75.9	Confident	76.7	Confident	40 Å²	40	50.5 Å²	50.5	28%	0.28	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.1	162.4	159.5	177.8	0	0	0	0	110.5	T414 C415 Q416	S412-T414 PolarHBondContact O-N 2.96Å; S412-T414 PolarHBondContact OG-OG1 3.36Å; S412-C415 WeakPolarHBondContact O-CA 3.18Å; S412-C415 PolarHBondContact O-N 3.02Å; S412-Q416 WeakPolarHBondContact CB-O 3.39Å; S412-Q416 PolarHBondContact N-O 3.34Å
413	A	69.9	Low	76.1	Confident	86 Å²	86	55.9 Å²	55.9	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.3	174.4	0	0	0	0	0	113.9	C244 C415	C244-A413 PolarHBondContact SG-O 2.97Å; A413-C415 VanDerWaalsContact C-N 3.27Å
414	T	71.6	Confident	75.2	Confident	88 Å²	88	53.7 Å²	53.7	54%	0.54	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	5.5	171.4	54	0	0	0	0	114.1	S412 Q416	S412-T414 PolarHBondContact O-N 2.96Å; S412-T414 PolarHBondContact OG-OG1 3.36Å; T414-Q416 PolarHBondContact O-N 3.25Å; T414-Q416 PolarHBondContact OG1-OE1 3.35Å
415	C	67	Low	74.4	Confident	43 Å²	43	57.1 Å²	57.1	29%	0.291	34%	0.336	S	S	.	.	S	Bend	trans	55.6	30.2	-170.9	-63.9	0	0	0	0	113.9	S412 A413	S412-C415 WeakPolarHBondContact O-CA 3.18Å; S412-C415 PolarHBondContact O-N 3.02Å; A413-C415 VanDerWaalsContact C-N 3.27Å
416	Q	66.7	Low	73.8	Confident	128 Å²	128	57.9 Å²	57.9	60%	0.598	34%	0.341	S	S	*	.			trans	-104	141.8	170.3	-67	166.2	-37	0	0	109.1	L411 S412 T414	L411-Q416 WeakPolarHBondContact CA-O 3.26Å; S412-Q416 WeakPolarHBondContact CB-O 3.39Å; S412-Q416 PolarHBondContact N-O 3.34Å; T414-Q416 PolarHBondContact O-N 3.25Å; T414-Q416 PolarHBondContact OG1-OE1 3.35Å
417	H	67.2	Low	73.3	Confident	28 Å²	28	59.2 Å²	59.2	13%	0.13	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-66.3	142.7	175.8	-69.5	-71.1	0	0	0	111.2	P409 L411 S419 Q508	P409-H417 HydrophobicContact CB-CB 4.22Å; P409-H417 HydrophobicContact CG-CB 4.43Å; P409-H417 PolarHBondContact O-ND1 2.98Å; L411-H417 HydrophobicContact CD2-CB 4.45Å; L411-H417 VanDerWaalsContact CD2-CE1 3.44Å; L411-H417 WeakPolarHBondContact CD2-CE1 3.24Å; L411-H417 WeakPolarHBondContact CD2-ND1 3.3Å; H417-S419 PolarHBondContact O-N 3.35Å; H417-S419 VanDerWaalsContact O-N 3.13Å; H417-Q508 PolarHBondContact CE1-NE2 3.27Å; H417-Q508 PolarHBondContact NE2-NE2 2.88Å; H417-Q508 VanDerWaalsContact NE2-NE2 3.14Å
418	F	60.9	Low	73	Confident	96 Å²	96	59.2 Å²	59.2	42%	0.421	35%	0.346	S	S	.	.			trans	-63.9	112.4	167.5	-76.3	-69.1	0	0	0	110	P409 R410	P409-F418 WeakPolarHBondContact CB-O 3.31Å; R410-F418 HydrophobicContact CB-CD2 4.06Å; R410-F418 HydrophobicContact CB-CE2 4.45Å; R410-F418 WeakPolarHBondContact O-CD2 3.49Å; R410-F418 PolarHBondContact O-N 2.7Å
419	S	62.7	Low	72.7	Confident	55 Å²	55	59.7 Å²	59.7	39%	0.385	35%	0.349	S	S	.	.			trans	-64	140.1	172.4	-53.7	0	0	0	0	111	Q384 H417	Q384-S419 PolarHBondContact NE2-OG 2.89Å; Q384-S419 VanDerWaalsContact OE1-CB 3.28Å; Q384-S419 PolarHBondContact OE1-OG 3.5Å; H417-S419 PolarHBondContact O-N 3.35Å; H417-S419 VanDerWaalsContact O-N 3.13Å
420	C	62.1	Low	72.6	Confident	26 Å²	26	62 Å²	62	18%	0.176	36%	0.361	C	S	.	.			trans	-56.3	129.5	175.7	171.1	0	0	0	0	111.3	G422 W427	C420-G422 PolarHBondContact O-N 2.98Å; C420-G422 PolarHBondContact SG-O 2.85Å; C420-W427 HydrophobicContact CB-CB 4.36Å; C420-W427 HydrophobicContact CB-CD2 4.08Å; C420-W427 HydrophobicContact CB-CE3 4.07Å; C420-W427 HydrophobicContact CB-CG 4.19Å; C420-W427 WeakPolarHBondContact SG-CB 3.26Å
421	P	55.9	Low	72.6	Confident	107 Å²	107	58.5 Å²	58.5	70%	0.695	35%	0.348	S	S	*	.	S	Bend	trans	-78.2	58.1	175.9	34.6	-36.7	0	0	0	111.9
422	G	59.5	Low	72.9	Confident	39 Å²	39	60.4 Å²	60.4	40%	0.402	35%	0.353	S	S	.	.	S	Bend	trans	155.6	178.2	178.5	0	0	0	0	0	113.8	C420 D424	C420-G422 PolarHBondContact O-N 2.98Å; C420-G422 PolarHBondContact SG-O 2.85Å; G422-D424 PolarHBondContact O-N 3.07Å
423	N	61.9	Low	73.5	Confident	152 Å²	152	65 Å²	65	81%	0.813	36%	0.364	S	S	*	.	S	Bend	trans	-88.3	14.3	174.6	-72	-3.7	0	0	0	112.8	T425	N423-T425 PolarHBondContact O-N 3.33Å
424	D	67.2	Low	74.5	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	36%	0.358	S	S	*	.			trans	-69.4	121.2	-175.7	-66.8	-13.8	0	0	0	110.3	G422 T426 W427	G422-D424 PolarHBondContact O-N 3.07Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 3.3Å; D424-W427 HydrophobicContact CB-CB 4.44Å
425	T	73.3	Confident	75.2	Confident	78 Å²	78	72.3 Å²	72.3	48%	0.479	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12	-170.1	60.1	0	0	0	0	114.8	Y350 E385 N423	Y350-T425 PolarHBondContact OH-O 2.82Å; E385-T425 VanDerWaalsContact OE1-O 3.07Å; N423-T425 PolarHBondContact O-N 3.33Å
426	T	81.4	Confident	76.2	Confident	36 Å²	36	72.4 Å²	72.4	22%	0.221	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	14.6	177.4	53.2	0	0	0	0	113.1	T158 E385 D424 L428 I429 D430	T158-T426 HydrophobicContact CG2-CG2 4.18Å; E385-T426 WeakPolarHBondContact OE1-CA 3.48Å; E385-T426 PolarHBondContact OE1-N 2.99Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 3.3Å; T426-L428 PolarHBondContact O-N 3.25Å; T426-I429 PolarHBondContact O-N 2.9Å; T426-D430 VanDerWaalsContact CB-OD2 3.22Å; T426-D430 WeakPolarHBondContact CB-OD2 3.18Å; T426-D430 PolarHBondContact O-N 2.85Å; T426-D430 PolarHBondContact OG1-OD2 3.11Å
427	W	84.9	Confident	76.9	Confident	28 Å²	28	69.8 Å²	69.8	11%	0.106	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-40.4	-164	176.6	82	0	0	0	114.4	E385 C420 D424 I429 S431 V440	E385-W427 PolarHBondContact OE1-N 3.43Å; E385-W427 PolarHBondContact OE2-N 2.8Å; C420-W427 HydrophobicContact CB-CB 4.36Å; C420-W427 HydrophobicContact CB-CD2 4.08Å; C420-W427 HydrophobicContact CB-CE3 4.07Å; C420-W427 HydrophobicContact CB-CG 4.19Å; C420-W427 WeakPolarHBondContact SG-CB 3.26Å; D424-W427 HydrophobicContact CB-CB 4.44Å; W427-I429 VanDerWaalsContact C-N 3.35Å; W427-I429 PolarHBondContact O-N 2.88Å; W427-S431 PolarHBondContact NE1-OG 2.96Å; W427-S431 WeakPolarHBondContact O-CB 3.33Å; W427-S431 PolarHBondContact O-N 3.31Å; W427-S431 PolarHBondContact O-OG 3.27Å; W427-V440 HydrophobicContact CH2-CG1 4.47Å
428	L	88.6	Confident	77.7	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-41.4	176.2	-72.5	175.1	0	0	0	111.8	E385 A388 I407 P409 T426 W432 V440	E385-L428 HydrophobicContact CB-CD1 3.79Å; E385-L428 HydrophobicContact CB-CG 4.02Å; E385-L428 VanDerWaalsContact OE2-CB 3.29Å; E385-L428 WeakPolarHBondContact OE2-CB 3.37Å; E385-L428 WeakPolarHBondContact OE2-CG 3.12Å; E385-L428 PolarHBondContact OE2-N 2.86Å; A388-L428 HydrophobicContact CB-CB 4.03Å; A388-L428 HydrophobicContact CB-CD1 4.38Å; I407-L428 HydrophobicContact CG2-CB 4.18Å; I407-L428 HydrophobicContact CG2-CD2 4.31Å; P409-L428 HydrophobicContact CB-CD2 4.15Å; P409-L428 HydrophobicContact CG-CD1 4.24Å; P409-L428 HydrophobicContact CG-CD2 3.95Å; T426-L428 PolarHBondContact O-N 3.25Å; L428-W432 WeakPolarHBondContact O-CB 3.44Å; L428-W432 PolarHBondContact O-N 2.86Å; L428-V440 HydrophobicContact CD2-CG1 3.74Å
429	I	88.2	Confident	78.8	Confident	12 Å²	12	72.8 Å²	72.8	6%	0.062	37%	0.372	C	S	.	.	H	α-helix	trans	-68.8	-43.8	-178.1	-61.8	173.9	0	0	0	109.7	A388 T426 W427 W432 R433	A388-I429 HydrophobicContact CB-CD1 4.18Å; A388-I429 HydrophobicContact CB-CG1 3.6Å; T426-I429 PolarHBondContact O-N 2.9Å; W427-I429 VanDerWaalsContact C-N 3.35Å; W427-I429 PolarHBondContact O-N 2.88Å; I429-W432 PolarHBondContact O-N 2.89Å; I429-R433 WeakPolarHBondContact O-CB 3.11Å; I429-R433 WeakPolarHBondContact O-CD 3.49Å; I429-R433 WeakPolarHBondContact O-CG 3.38Å; I429-R433 PolarHBondContact O-N 2.88Å
430	D	88.2	Confident	80.1	Confident	52 Å²	52	70.3 Å²	70.3	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-76.8	-27	-179.2	-65.4	-41.6	0	0	0	112.7	T426 R433 R434	T426-D430 VanDerWaalsContact CB-OD2 3.22Å; T426-D430 WeakPolarHBondContact CB-OD2 3.18Å; T426-D430 PolarHBondContact O-N 2.85Å; T426-D430 PolarHBondContact OG1-OD2 3.11Å; D430-R433 VanDerWaalsContact OD1-CD 3.26Å; D430-R433 WeakPolarHBondContact OD1-CD 3.35Å; D430-R433 IonicContact OD1-CZ 3.49Å; D430-R433 IonicContact OD1-NE 3.35Å; D430-R433 IonicContact OD1-NH1 3.68Å; D430-R433 PolarHBondContact OD1-NH1 3.28Å; D430-R434 WeakPolarHBondContact O-CB 3.3Å; D430-R434 WeakPolarHBondContact O-CG 3.31Å; D430-R434 PolarHBondContact O-N 3.34Å; D430-R434 PolarHBondContact O-NE 2.88Å
431	S	88.1	Confident	81.6	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-69.7	-41.7	169.2	-56.8	0	0	0	0	112.1	W427 R434 K435 D436	W427-S431 PolarHBondContact NE1-OG 2.96Å; W427-S431 WeakPolarHBondContact O-CB 3.33Å; W427-S431 PolarHBondContact O-N 3.31Å; W427-S431 PolarHBondContact O-OG 3.27Å; S431-R434 PolarHBondContact O-N 3.18Å; S431-R434 PolarHBondContact OG-NH2 3.09Å; S431-K435 PolarHBondContact O-N 2.9Å; S431-D436 PolarHBondContact O-N 2.96Å
432	W	89.4	Confident	83.4	Confident	67 Å²	67	67.6 Å²	67.6	25%	0.254	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-44.5	170.8	174	70.1	0	0	0	112.6	I390 T405 I407 L428 I429 R434 K435 V440	I390-W432 HydrophobicContact CD1-CD2 4.31Å; I390-W432 HydrophobicContact CD1-CE3 3.54Å; I390-W432 HydrophobicContact CD1-CH2 3.97Å; I390-W432 HydrophobicContact CD1-CZ3 3.35Å; T405-W432 HydrophobicContact CG2-CZ2 4.41Å; I407-W432 HydrophobicContact CD1-CB 4.03Å; I407-W432 HydrophobicContact CD1-CD2 4.08Å; I407-W432 HydrophobicContact CD1-CG 3.52Å; I407-W432 HydrophobicContact CG1-CB 4.01Å; I407-W432 HydrophobicContact CG1-CD2 4.38Å; I407-W432 HydrophobicContact CG1-CG 3.91Å; I407-W432 HydrophobicContact CG2-CB 4.23Å; L428-W432 WeakPolarHBondContact O-CB 3.44Å; L428-W432 PolarHBondContact O-N 2.86Å; I429-W432 PolarHBondContact O-N 2.89Å; W432-R434 VanDerWaalsContact C-N 3.31Å; W432-R434 PolarHBondContact O-N 2.98Å; W432-K435 WeakPolarHBondContact O-CA 3.43Å; W432-K435 PolarHBondContact O-N 3.08Å; W432-V440 HydrophobicContact CB-CG2 4.48Å
433	R	89.8	Confident	85.1	Confident	136 Å²	136	65.8 Å²	65.8	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-38.3	174.7	-75.9	163.1	163.6	-166.9	-12.1	112.6	I429 D430 K435	I429-R433 WeakPolarHBondContact O-CB 3.11Å; I429-R433 WeakPolarHBondContact O-CD 3.49Å; I429-R433 WeakPolarHBondContact O-CG 3.38Å; I429-R433 PolarHBondContact O-N 2.88Å; D430-R433 VanDerWaalsContact OD1-CD 3.26Å; D430-R433 WeakPolarHBondContact OD1-CD 3.35Å; D430-R433 IonicContact OD1-CZ 3.49Å; D430-R433 IonicContact OD1-NE 3.35Å; D430-R433 IonicContact OD1-NH1 3.68Å; D430-R433 PolarHBondContact OD1-NH1 3.28Å; R433-K435 PolarHBondContact O-N 3Å
434	R	89.6	Confident	86.6	Confident	155 Å²	155	60.3 Å²	60.3	59%	0.585	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.7	172.4	-70.4	178.2	-53.7	120	2.5	113.8	D430 S431 W432 D436	D430-R434 WeakPolarHBondContact O-CB 3.3Å; D430-R434 WeakPolarHBondContact O-CG 3.31Å; D430-R434 PolarHBondContact O-N 3.34Å; D430-R434 PolarHBondContact O-NE 2.88Å; S431-R434 PolarHBondContact O-N 3.18Å; S431-R434 PolarHBondContact OG-NH2 3.09Å; W432-R434 VanDerWaalsContact C-N 3.31Å; W432-R434 PolarHBondContact O-N 2.98Å; R434-D436 VanDerWaalsContact C-N 3.3Å; R434-D436 IonicContact NH2-OD2 3.14Å
435	K	87.5	Confident	87.9	Confident	173 Å²	173	55.8 Å²	55.8	75%	0.752	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	31.6	-173.9	-56.1	-176.5	179.3	-179.5	0	114.4	S431 W432 R433 M437	S431-K435 PolarHBondContact O-N 2.9Å; W432-K435 WeakPolarHBondContact O-CA 3.43Å; W432-K435 PolarHBondContact O-N 3.08Å; R433-K435 PolarHBondContact O-N 3Å; K435-M437 VanDerWaalsContact C-N 3.3Å; K435-M437 PolarHBondContact O-N 2.69Å
436	D	86.3	Confident	88.8	Confident	44 Å²	44	54.4 Å²	54.4	24%	0.235	25%	0.245	C	C	.	.			trans	-78.4	75.1	177.3	179.7	13.5	0	0	0	111.5	S431 R434 Q438 S439 V440	S431-D436 PolarHBondContact O-N 2.96Å; R434-D436 VanDerWaalsContact C-N 3.3Å; R434-D436 IonicContact NH2-OD2 3.14Å; D436-Q438 PolarHBondContact O-N 3.3Å; D436-Q438 PolarHBondContact OD1-N 2.88Å; D436-S439 PolarHBondContact O-N 3.24Å; D436-S439 PolarHBondContact O-OG 3.37Å; D436-S439 PolarHBondContact OD1-N 2.8Å; D436-S439 WeakPolarHBondContact OD2-CB 3.47Å; D436-S439 PolarHBondContact OD2-OG 2.88Å; D436-V440 PolarHBondContact O-N 3.41Å
437	M	82.6	Confident	89.2	Confident	74 Å²	74	56.9 Å²	56.9	37%	0.365	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	2.8	180	-55.9	-64.5	89.9	0	0	113.5	K435 V440 Q442	K435-M437 VanDerWaalsContact C-N 3.3Å; K435-M437 PolarHBondContact O-N 2.69Å; M437-V440 HydrophobicContact CE-CG2 3.51Å; M437-Q442 HydrophobicContact SD-CB 4.35Å
438	Q	83.6	Confident	89.4	Confident	168 Å²	168	56 Å²	56	79%	0.785	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-31.9	172	-63.5	-174.1	-6.5	0	0	111.5	R410 D436	R410-Q438 WeakPolarHBondContact CD-O 3.46Å; D436-Q438 PolarHBondContact O-N 3.3Å; D436-Q438 PolarHBondContact OD1-N 2.88Å
439	S	84	Confident	89.3	Confident	19 Å²	19	60.7 Å²	60.7	13%	0.133	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-26.6	-179.9	64	0	0	0	0	114	R410 D436	R410-S439 WeakPolarHBondContact CB-O 3.45Å; R410-S439 PolarHBondContact N-O 3.44Å; D436-S439 PolarHBondContact O-N 3.24Å; D436-S439 PolarHBondContact O-OG 3.37Å; D436-S439 PolarHBondContact OD1-N 2.8Å; D436-S439 WeakPolarHBondContact OD2-CB 3.47Å; D436-S439 PolarHBondContact OD2-OG 2.88Å
440	V	90.8	Very high	89.1	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.2	-178.7	-50.6	0	0	0	0	113.8	I407 L408 W427 L428 W432 D436 M437	I407-V440 HydrophobicContact CG2-CB 3.59Å; I407-V440 HydrophobicContact CG2-CG1 3.96Å; I407-V440 HydrophobicContact CG2-CG2 3.78Å; L408-V440 WeakPolarHBondContact O-CA 3.41Å; W427-V440 HydrophobicContact CH2-CG1 4.47Å; L428-V440 HydrophobicContact CD2-CG1 3.74Å; W432-V440 HydrophobicContact CB-CG2 4.48Å; D436-V440 PolarHBondContact O-N 3.41Å; M437-V440 HydrophobicContact CE-CG2 3.51Å
441	L	91.9	Very high	88.9	Confident	34 Å²	34	63.9 Å²	63.9	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.6	171	177.4	65.5	0	0	0	109.4	I407 L408 L443 P503	I407-L441 WeakPolarHBondContact CA-O 3.47Å; L408-L441 HydrophobicContact CB-CB 4.48Å; L408-L441 PolarHBondContact N-O 2.77Å; L408-L441 PolarHBondContact O-N 3.36Å; L441-L443 HydrophobicContact CD1-CD2 4.26Å; L441-L443 HydrophobicContact CD2-CD2 4Å; L441-L443 HydrophobicContact CG-CD2 3.82Å; L441-L443 HydrophobicContact CG-CG 4.34Å; L441-P503 HydrophobicContact CD2-CG 3.6Å
442	Q	94.2	Very high	88.9	Confident	41 Å²	41	71 Å²	71	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.3	175	179.2	174.8	-12.1	0	0	111.4	T405 I407 M437	T405-Q442 HydrophobicContact CG2-CG 3.88Å; I407-Q442 HydrophobicContact CD1-CB 3.99Å; I407-Q442 HydrophobicContact CD1-CG 3.86Å; M437-Q442 HydrophobicContact SD-CB 4.35Å
443	L	95.6	Very high	88.7	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	159.2	174.1	-50.5	-177.8	0	0	0	110.7	I406 L408 L441 I475 H477 L485 M504	I406-L443 HydrophobicContact CB-CB 4.27Å; I406-L443 PolarHBondContact N-O 2.9Å; I406-L443 PolarHBondContact O-N 3.49Å; L408-L443 HydrophobicContact CD1-CD1 3.81Å; L408-L443 HydrophobicContact CG-CD1 4.32Å; L441-L443 HydrophobicContact CD1-CD2 4.26Å; L441-L443 HydrophobicContact CD2-CD2 4Å; L441-L443 HydrophobicContact CG-CD2 3.82Å; L441-L443 HydrophobicContact CG-CG 4.34Å; L443-I475 HydrophobicContact CB-CG2 3.76Å; L443-I475 HydrophobicContact CD1-CG2 4Å; L443-H477 HydrophobicContact CD2-CB 4.37Å; L443-L485 HydrophobicContact CD1-CD1 3.77Å; L443-L485 HydrophobicContact CD2-CD1 3.34Å; L443-L485 HydrophobicContact CG-CD1 4.13Å; L443-M504 HydrophobicContact CD1-CE 3.47Å; L443-M504 VanDerWaalsContact CD1-CE 3.47Å
444	Q	94.3	Very high	88.4	Confident	38 Å²	38	70.4 Å²	70.4	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.2	179.1	64.7	-170.9	10.2	0	0	110.9	I475 V476 D481	Q444-I475 WeakPolarHBondContact O-CA 3.18Å; Q444-V476 HydrophobicContact CG-CG2 3.88Å; Q444-V476 PolarHBondContact N-O 2.91Å; Q444-V476 VanDerWaalsContact N-O 3.08Å; Q444-V476 PolarHBondContact O-N 2.81Å; Q444-D481 PolarHBondContact NE2-OD1 2.8Å
445	N	93.6	Very high	88.1	Confident	11 Å²	11	69.2 Å²	69.2	6%	0.059	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.3	162.3	73.1	-88.1	0	0	0	110	R403 M404 Q474 I475	R403-N445 WeakPolarHBondContact CA-OD1 3.34Å; M404-N445 HydrophobicContact CB-CB 4.24Å; M404-N445 PolarHBondContact N-OD1 2.77Å; M404-N445 PolarHBondContact O-N 2.67Å; M404-N445 PolarHBondContact O-OD1 3.48Å; N445-Q474 CarbonylContact C-O 3.52Å; N445-Q474 VanDerWaalsContact CA-O 3.25Å; N445-Q474 WeakPolarHBondContact CA-O 3.39Å; N445-I475 HydrophobicContact CB-CD1 4.18Å
446	K	93.3	Very high	87.8	Confident	50 Å²	50	62.4 Å²	62.4	22%	0.217	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62	138.2	170	-168.2	165.3	-176.6	157.4	0	109.1	L459 Q474 V476 D481 I484	K446-L459 HydrophobicContact CB-CD2 4.33Å; K446-L459 HydrophobicContact CD-CD2 4.24Å; K446-L459 HydrophobicContact CG-CD2 4.09Å; K446-Q474 HydrophobicContact CB-CB 4.08Å; K446-Q474 PolarHBondContact N-O 3.35Å; K446-V476 HydrophobicContact CB-CG1 4.06Å; K446-V476 HydrophobicContact CB-CG2 4.01Å; K446-V476 HydrophobicContact CD-CG1 4.12Å; K446-V476 HydrophobicContact CG-CG1 4.39Å; K446-D481 WeakPolarHBondContact CD-O 3.36Å; K446-D481 WeakPolarHBondContact CE-O 3.2Å; K446-D481 PolarHBondContact NZ-O 3.41Å; K446-I484 HydrophobicContact CD-CD1 3.91Å
447	N	89.5	Confident	87.6	Confident	87 Å²	87	63.8 Å²	63.8	47%	0.465	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-72.7	132.6	173.8	-67	-65.6	0	0	0	109.2
448	P	87.7	Confident	87.7	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.071	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-71	146.6	176.2	33.8	-38.1	0	0	0	110.5	Y74 P401 Y457 V458 L459	Y74-P448 HydrophobicContact CD1-CB 3.7Å; Y74-P448 HydrophobicContact CD1-CG 3.54Å; Y74-P448 HydrophobicContact CE1-CB 4.46Å; Y74-P448 HydrophobicContact CE1-CG 3.85Å; Y74-P448 HydrophobicContact CG-CB 3.95Å; Y74-P448 HydrophobicContact CG-CG 4.25Å; P401-P448 HydrophobicContact CB-CG 3.98Å; P401-P448 HydrophobicContact CG-CG 3.82Å; P448-Y457 HydrophobicContact CB-CD1 4.23Å; P448-Y457 HydrophobicContact CG-CD1 3.87Å; P448-Y457 HydrophobicContact CG-CG 4.2Å; P448-V458 WeakPolarHBondContact CA-O 3.32Å; P448-L459 HydrophobicContact CB-CD2 4.48Å; P448-L459 HydrophobicContact CB-CG 4.17Å
449	V	86.4	Confident	88	Confident	97 Å²	97	53 Å²	53	59%	0.588	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	141.1	178.6	-177.4	0	0	0	0	108.8	Y457 V458	V449-Y457 CarbonylContact O-C 3.59Å; V449-Y457 WeakPolarHBondContact O-CA 3.42Å; V449-V458 PolarHBondContact N-O 3.48Å; V449-V458 PolarHBondContact O-N 3.24Å
450	W	85.2	Confident	88.3	Confident	108 Å²	108	54.2 Å²	54.2	41%	0.409	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.8	171.6	177.1	-101	0	0	0	110.2	Q455 Y457	W450-Q455 HydrophobicContact CH2-CB 4.28Å; W450-Q455 VanDerWaalsContact CH2-O 3.24Å; W450-Q455 WeakPolarHBondContact CH2-O 3.29Å; W450-Q455 HydrophobicContact CZ2-CB 4.34Å; W450-Y457 HydrophobicContact CB-CD1 4.49Å; W450-Y457 HydrophobicContact CB-CE1 4.16Å; W450-Y457 AromaticContact CE3-CD2 3.86Å; W450-Y457 HydrophobicContact CE3-CD2 3.86Å; W450-Y457 HydrophobicContact CE3-CE1 4.46Å; W450-Y457 AromaticContact CE3-CE2 3.66Å; W450-Y457 HydrophobicContact CE3-CE2 3.66Å; W450-Y457 HydrophobicContact CE3-CG 4.34Å; W450-Y457 HydrophobicContact CZ3-CD2 4.17Å; W450-Y457 HydrophobicContact CZ3-CE2 4.03Å
451	N	83.9	Confident	88.3	Confident	24 Å²	24	54.1 Å²	54.1	13%	0.128	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.4	173.3	174.3	-41	0	0	0	108.9	E453 T454 Q455 S456 V458	N451-E453 WeakPolarHBondContact OD1-CA 3.49Å; N451-E453 WeakPolarHBondContact OD1-CB 3.43Å; N451-E453 PolarHBondContact OD1-N 3.37Å; N451-T454 WeakPolarHBondContact CB-OG1 3.15Å; N451-T454 PolarHBondContact O-OG1 3.41Å; N451-T454 PolarHBondContact OD1-N 3.32Å; N451-T454 PolarHBondContact OD1-OG1 3.2Å; N451-Q455 WeakPolarHBondContact O-CA 3.34Å; N451-Q455 PolarHBondContact O-N 2.75Å; N451-S456 PolarHBondContact N-O 2.86Å; N451-S456 PolarHBondContact O-N 3.2Å; N451-V458 HydrophobicContact CB-CB 4.48Å; N451-V458 HydrophobicContact CB-CG1 3.79Å; N451-V458 HydrophobicContact CB-CG2 3.78Å
452	E	88.6	Confident	88.1	Confident	149 Å²	149	59 Å²	59	70%	0.696	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.3	-177.5	-64.3	-173.5	167.5	0	0	113.5	T454 Q455	E452-T454 VanDerWaalsContact C-N 3.35Å; E452-Q455 PolarHBondContact O-N 2.9Å; E452-Q455 PolarHBondContact O-NE2 3.26Å
453	E	84.5	Confident	87.8	Confident	141 Å²	141	58.8 Å²	58.8	66%	0.659	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.2	178.8	-54.1	-175.8	147.2	0	0	111.8	N451	N451-E453 WeakPolarHBondContact OD1-CA 3.49Å; N451-E453 WeakPolarHBondContact OD1-CB 3.43Å; N451-E453 PolarHBondContact OD1-N 3.37Å
454	T	83.7	Confident	87.6	Confident	50 Å²	50	60.7 Å²	60.7	31%	0.307	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.4	179.2	62.3	0	0	0	0	113.8	V98 N451 E452 S456	V98-T454 HydrophobicContact CG2-CG2 3.66Å; N451-T454 WeakPolarHBondContact CB-OG1 3.15Å; N451-T454 PolarHBondContact O-OG1 3.41Å; N451-T454 PolarHBondContact OD1-N 3.32Å; N451-T454 PolarHBondContact OD1-OG1 3.2Å; E452-T454 VanDerWaalsContact C-N 3.35Å; T454-S456 WeakPolarHBondContact CB-OG 3.33Å; T454-S456 PolarHBondContact O-N 2.9Å; T454-S456 PolarHBondContact OG1-OG 3.04Å
455	Q	83.3	Confident	87.4	Confident	131 Å²	131	58.9 Å²	58.9	61%	0.612	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	40.5	-171.6	-66.5	-70.4	-65.8	0	0	112.6	W450 N451 E452	W450-Q455 HydrophobicContact CH2-CB 4.28Å; W450-Q455 VanDerWaalsContact CH2-O 3.24Å; W450-Q455 WeakPolarHBondContact CH2-O 3.29Å; W450-Q455 HydrophobicContact CZ2-CB 4.34Å; N451-Q455 WeakPolarHBondContact O-CA 3.34Å; N451-Q455 PolarHBondContact O-N 2.75Å; E452-Q455 PolarHBondContact O-N 2.9Å; E452-Q455 PolarHBondContact O-NE2 3.26Å
456	S	80.3	Confident	87.2	Confident	29 Å²	29	60.5 Å²	60.5	20%	0.203	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.3	-171.9	77.8	0	0	0	0	112.9	N451 T454 V458	N451-S456 PolarHBondContact N-O 2.86Å; N451-S456 PolarHBondContact O-N 3.2Å; T454-S456 WeakPolarHBondContact CB-OG 3.33Å; T454-S456 PolarHBondContact O-N 2.9Å; T454-S456 PolarHBondContact OG1-OG 3.04Å; S456-V458 WeakPolarHBondContact OG-CG1 3.43Å
457	Y	83	Confident	86.9	Confident	73 Å²	73	60.1 Å²	60.1	29%	0.286	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.2	169.1	-79.5	-79.7	0	0	0	109.4	Y74 P448 V449 W450	Y74-Y457 CarbonylContact C-O 3.21Å; Y74-Y457 WeakPolarHBondContact CA-O 3.48Å; Y74-Y457 WeakPolarHBondContact CB-O 3.09Å; Y74-Y457 PolarHBondContact N-O 3.38Å; Y74-Y457 VanDerWaalsContact O-O 3.14Å; P448-Y457 HydrophobicContact CB-CD1 4.23Å; P448-Y457 HydrophobicContact CG-CD1 3.87Å; P448-Y457 HydrophobicContact CG-CG 4.2Å; V449-Y457 CarbonylContact O-C 3.59Å; V449-Y457 WeakPolarHBondContact O-CA 3.42Å; W450-Y457 HydrophobicContact CB-CD1 4.49Å; W450-Y457 HydrophobicContact CB-CE1 4.16Å; W450-Y457 AromaticContact CE3-CD2 3.86Å; W450-Y457 HydrophobicContact CE3-CD2 3.86Å; W450-Y457 HydrophobicContact CE3-CE1 4.46Å; W450-Y457 AromaticContact CE3-CE2 3.66Å; W450-Y457 HydrophobicContact CE3-CE2 3.66Å; W450-Y457 HydrophobicContact CE3-CG 4.34Å; W450-Y457 HydrophobicContact CZ3-CD2 4.17Å; W450-Y457 HydrophobicContact CZ3-CE2 4.03Å
458	V	85.3	Confident	86.6	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.3	-173.5	-49.4	0	0	0	0	112.1	Y71 P448 V449 N451 S456	Y71-V458 HydrophobicContact CD1-CG2 4.17Å; P448-V458 WeakPolarHBondContact CA-O 3.32Å; V449-V458 PolarHBondContact N-O 3.48Å; V449-V458 PolarHBondContact O-N 3.24Å; N451-V458 HydrophobicContact CB-CB 4.48Å; N451-V458 HydrophobicContact CB-CG1 3.79Å; N451-V458 HydrophobicContact CB-CG2 3.78Å; S456-V458 WeakPolarHBondContact OG-CG1 3.43Å
459	L	89.3	Confident	86.4	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144	166.4	-75.7	171.6	0	0	0	108.6	Y72 Y74 K446 P448 F461	Y72-L459 PolarHBondContact O-N 3.14Å; Y74-L459 HydrophobicContact CD2-CD1 4.45Å; K446-L459 HydrophobicContact CB-CD2 4.33Å; K446-L459 HydrophobicContact CD-CD2 4.24Å; K446-L459 HydrophobicContact CG-CD2 4.09Å; P448-L459 HydrophobicContact CB-CD2 4.48Å; P448-L459 HydrophobicContact CB-CG 4.17Å; L459-F461 HydrophobicContact CB-CD2 4.16Å; L459-F461 HydrophobicContact CB-CE2 3.55Å; L459-F461 HydrophobicContact CB-CZ 3.83Å; L459-F461 HydrophobicContact CD1-CZ 4.05Å; L459-F461 VanDerWaalsContact O-CD2 3.25Å; L459-F461 WeakPolarHBondContact O-CD2 3.47Å; L459-F461 PolarHBondContact O-N 3.24Å
460	N	89.8	Confident	86	Confident	45 Å²	45	55 Å²	55	24%	0.241	28%	0.28	C	S	.	.			trans	-84.3	103.4	175.7	-179.3	4	0	0	0	110	Y71 H462 Q474	Y71-N460 HydrophobicContact CD1-CB 4.13Å; Y71-N460 HydrophobicContact CE1-CB 3.87Å; N460-H462 PolarHBondContact ND2-NE2 2.96Å; N460-H462 PolarHBondContact O-ND1 2.97Å; N460-H462 PolarHBondContact OD1-N 3.1Å; N460-Q474 PolarHBondContact O-NE2 3.25Å
461	F	91.1	Very high	86.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.			trans	-90.6	6.8	178.3	-67.4	-83.3	0	0	0	114	L459 G463 R464 V465 N472 Q474 Q487	L459-F461 HydrophobicContact CB-CD2 4.16Å; L459-F461 HydrophobicContact CB-CE2 3.55Å; L459-F461 HydrophobicContact CB-CZ 3.83Å; L459-F461 HydrophobicContact CD1-CZ 4.05Å; L459-F461 VanDerWaalsContact O-CD2 3.25Å; L459-F461 WeakPolarHBondContact O-CD2 3.47Å; L459-F461 PolarHBondContact O-N 3.24Å; F461-G463 PolarHBondContact O-N 2.86Å; F461-G463 VanDerWaalsContact O-N 3.15Å; F461-R464 VanDerWaalsContact O-CB 3.29Å; F461-R464 WeakPolarHBondContact O-CB 3.34Å; F461-R464 PolarHBondContact O-N 3.14Å; F461-V465 HydrophobicContact CB-CB 3.7Å; F461-V465 HydrophobicContact CB-CG2 3.93Å; F461-V465 HydrophobicContact CD1-CB 3.92Å; F461-V465 HydrophobicContact CD1-CG2 3.41Å; F461-V465 VanDerWaalsContact CD1-CG2 3.41Å; F461-V465 HydrophobicContact CD2-CB 4.06Å; F461-V465 HydrophobicContact CD2-CG1 4.3Å; F461-V465 HydrophobicContact CD2-CG2 4.43Å; F461-V465 HydrophobicContact CE1-CG2 3.98Å; F461-V465 HydrophobicContact CG-CB 3.63Å; F461-V465 HydrophobicContact CG-CG1 4.33Å; F461-V465 HydrophobicContact CG-CG2 3.69Å; F461-N472 HydrophobicContact CE1-CB 4.49Å; F461-N472 HydrophobicContact CE2-CB 4.17Å; F461-N472 HydrophobicContact CZ-CB 3.75Å; F461-Q474 HydrophobicContact CD1-CG 4.33Å; F461-Q474 HydrophobicContact CE1-CG 3.98Å; F461-Q487 HydrophobicContact CD1-CG 3.72Å; F461-Q487 HydrophobicContact CE1-CG 4.19Å
462	H	87.9	Confident	86.4	Confident	136 Å²	136	49.9 Å²	49.9	63%	0.63	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.7	178.3	-54.5	88.8	0	0	0	113.4	N460 R464	N460-H462 PolarHBondContact ND2-NE2 2.96Å; N460-H462 PolarHBondContact O-ND1 2.97Å; N460-H462 PolarHBondContact OD1-N 3.1Å; H462-R464 VanDerWaalsContact C-N 3.26Å; H462-R464 PolarHBondContact O-N 3.03Å
463	G	88.1	Confident	86.7	Confident	38 Å²	38	43.4 Å²	43.4	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	0.1	-177.5	0	0	0	0	0	116.3	F461	F461-G463 PolarHBondContact O-N 2.86Å; F461-G463 VanDerWaalsContact O-N 3.15Å
464	R	91.6	Very high	87.2	Confident	41 Å²	41	37 Å²	37	16%	0.155	20%	0.199	C	C	.	.	S	Bend	trans	-75.5	-27.1	-179.2	-66.4	-68.5	-63.5	152.8	-5.6	114.1	E296 F461 H462 I491 T497 D499	E296-R464 IonicContact OE2-CZ 2.69Å; E296-R464 IonicContact OE2-NH1 2.67Å; E296-R464 PolarHBondContact OE2-NH1 2.85Å; E296-R464 IonicContact OE2-NH2 2.68Å; E296-R464 PolarHBondContact OE2-NH2 3.42Å; F461-R464 VanDerWaalsContact O-CB 3.29Å; F461-R464 WeakPolarHBondContact O-CB 3.34Å; F461-R464 PolarHBondContact O-N 3.14Å; H462-R464 VanDerWaalsContact C-N 3.26Å; H462-R464 PolarHBondContact O-N 3.03Å; R464-I491 WeakPolarHBondContact O-CG2 3.07Å; R464-T497 WeakPolarHBondContact O-CB 3.5Å; R464-T497 WeakPolarHBondContact O-CG2 3.17Å; R464-T497 PolarHBondContact O-OG1 3.17Å; R464-D499 WeakPolarHBondContact CG-OD2 3.29Å; R464-D499 IonicContact CZ-OD1 2.9Å; R464-D499 IonicContact CZ-OD2 3.24Å; R464-D499 IonicContact NE-OD1 3.84Å; R464-D499 PolarHBondContact NE-OD1 3.32Å; R464-D499 IonicContact NE-OD2 2.75Å; R464-D499 PolarHBondContact NE-OD2 2.81Å; R464-D499 IonicContact NH2-OD1 3.26Å; R464-D499 PolarHBondContact NH2-OD1 3.12Å; R464-D499 IonicContact NH2-OD2 3.71Å
465	V	90.2	Very high	87.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.			trans	-116.3	136.9	178.3	173.7	0	0	0	0	106.6	Y72 F461 N472 R490	Y72-V465 WeakPolarHBondContact CD2-O 3.39Å; Y72-V465 WeakPolarHBondContact CE2-O 3.09Å; Y72-V465 VanDerWaalsContact CG-O 3.3Å; F461-V465 HydrophobicContact CB-CB 3.7Å; F461-V465 HydrophobicContact CB-CG2 3.93Å; F461-V465 HydrophobicContact CD1-CB 3.92Å; F461-V465 HydrophobicContact CD1-CG2 3.41Å; F461-V465 VanDerWaalsContact CD1-CG2 3.41Å; F461-V465 HydrophobicContact CD2-CB 4.06Å; F461-V465 HydrophobicContact CD2-CG1 4.3Å; F461-V465 HydrophobicContact CD2-CG2 4.43Å; F461-V465 HydrophobicContact CE1-CG2 3.98Å; F461-V465 HydrophobicContact CG-CB 3.63Å; F461-V465 HydrophobicContact CG-CG1 4.33Å; F461-V465 HydrophobicContact CG-CG2 3.69Å; V465-N472 HydrophobicContact CG1-CB 4.47Å; V465-N472 WeakPolarHBondContact CG1-ND2 3.33Å; V465-R490 WeakPolarHBondContact CG1-O 3.39Å
466	T	89.3	Confident	88.4	Confident	45 Å²	45	28.3 Å²	28.3	28%	0.276	16%	0.155	S	C	.	.			trans	-131.3	-5.8	-173.1	63.5	0	0	0	0	114.7	Y72 V95 R490 I491	Y72-T466 HydrophobicContact CE1-CG2 4.47Å; V95-T466 WeakPolarHBondContact CG1-O 3.45Å; T466-R490 PolarHBondContact N-O 3.26Å; T466-I491 HydrophobicContact CG2-CG2 4.28Å; T466-I491 VanDerWaalsContact OG1-CA 3.31Å; T466-I491 WeakPolarHBondContact OG1-CA 3.15Å; T466-I491 PolarHBondContact OG1-O 3.44Å
467	Q	85.9	Confident	89	Confident	41 Å²	41	28.2 Å²	28.2	19%	0.192	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-124.7	137.2	175.3	-65.7	-171.4	-23.7	0	0	110.4	V95 N472 R490 S492	V95-Q467 HydrophobicContact CG2-CG 4.31Å; Q467-N472 PolarHBondContact O-ND2 3.22Å; Q467-R490 HydrophobicContact CB-CB 4.07Å; Q467-R490 HydrophobicContact CB-CG 3.93Å; Q467-R490 PolarHBondContact N-O 3.17Å; Q467-S492 VanDerWaalsContact OE1-C 3.23Å; Q467-S492 VanDerWaalsContact OE1-CA 3.31Å
468	A	83.4	Confident	89.3	Confident	31 Å²	31	32.6 Å²	32.6	26%	0.256	17%	0.167	S	C	.	.			trans	-64.9	141	173.5	0	0	0	0	0	111.1	A73 D75	A73-A468 HydrophobicContact CB-CB 4.39Å; D75-A468 HydrophobicContact CB-CB 4.12Å
469	S	83.8	Confident	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.			trans	-169.1	146.9	175.9	-175.2	0	0	0	0	111.5	D75 K471 N472	D75-S469 CarbonylContact O-C 3.55Å; S469-K471 PolarHBondContact O-N 3.29Å; S469-K471 PolarHBondContact OG-N 3.05Å; S469-N472 PolarHBondContact N-ND2 2.91Å; S469-N472 WeakPolarHBondContact O-CB 3.25Å; S469-N472 PolarHBondContact O-N 3.09Å
470	V	78.7	Confident	89.6	Confident	56 Å²	56	37.8 Å²	37.8	34%	0.339	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-16.5	164	-61.8	0	0	0	0	114	D75	D75-V470 WeakPolarHBondContact O-CA 3.21Å; D75-V470 WeakPolarHBondContact O-CG1 3.36Å; D75-V470 PolarHBondContact O-N 2.97Å
471	K	86	Confident	89.6	Confident	25 Å²	25	38.7 Å²	38.7	11%	0.109	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-7.2	-177.8	-57.4	-177.7	177.1	62.2	0	113.5	D86 S469 F473 F488 F517	D86-K471 IonicContact OD2-NZ 3.1Å; D86-K471 PolarHBondContact OD2-NZ 3.2Å; S469-K471 PolarHBondContact O-N 3.29Å; S469-K471 PolarHBondContact OG-N 3.05Å; K471-F473 VanDerWaalsContact O-CD1 3.25Å; K471-F473 WeakPolarHBondContact O-CD1 3.18Å; K471-F488 HydrophobicContact CB-CE1 4.26Å; K471-F488 WeakPolarHBondContact O-CD1 3.47Å; K471-F488 WeakPolarHBondContact O-CE1 3.37Å; K471-F517 HydrophobicContact CD-CD1 4.13Å
472	N	91.4	Very high	89.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.			trans	-75.9	126.8	176.5	-63.1	-12.5	0	0	0	109.7	Y74 F461 V465 Q467 S469 F488 G489 R490	Y74-N472 WeakPolarHBondContact CD2-O 3.43Å; Y74-N472 VanDerWaalsContact CE2-O 3.27Å; Y74-N472 WeakPolarHBondContact CE2-O 3.32Å; F461-N472 HydrophobicContact CE1-CB 4.49Å; F461-N472 HydrophobicContact CE2-CB 4.17Å; F461-N472 HydrophobicContact CZ-CB 3.75Å; V465-N472 HydrophobicContact CG1-CB 4.47Å; V465-N472 WeakPolarHBondContact CG1-ND2 3.33Å; Q467-N472 PolarHBondContact O-ND2 3.22Å; S469-N472 PolarHBondContact N-ND2 2.91Å; S469-N472 WeakPolarHBondContact O-CB 3.25Å; S469-N472 PolarHBondContact O-N 3.09Å; N472-F488 CarbonylContact C-O 3.53Å; N472-F488 WeakPolarHBondContact CA-O 3.29Å; N472-G489 WeakPolarHBondContact OD1-CA 3.28Å; N472-R490 PolarHBondContact OD1-N 3.28Å
473	F	93.3	Very high	89.7	Confident	14 Å²	14	44.2 Å²	44.2	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.1	175.1	60.1	-98	0	0	0	113.2	M404 K471 I475 M486 F488 I512	M404-F473 HydrophobicContact CE-CE2 4.46Å; M404-F473 HydrophobicContact CE-CZ 4.23Å; M404-F473 HydrophobicContact SD-CZ 4.48Å; K471-F473 VanDerWaalsContact O-CD1 3.25Å; K471-F473 WeakPolarHBondContact O-CD1 3.18Å; F473-I475 HydrophobicContact CD2-CD1 3.5Å; F473-I475 VanDerWaalsContact CD2-CD1 3.5Å; F473-I475 HydrophobicContact CD2-CG1 3.79Å; F473-I475 HydrophobicContact CE2-CD1 3.8Å; F473-I475 HydrophobicContact CE2-CG1 3.83Å; F473-I475 HydrophobicContact CG-CD1 4.49Å; F473-M486 HydrophobicContact CE2-CE 4.26Å; F473-M486 HydrophobicContact CE2-SD 4.35Å; F473-M486 HydrophobicContact CZ-CE 4.39Å; F473-F488 AromaticContact CD1-CD1 3.99Å; F473-F488 HydrophobicContact CD1-CD1 3.99Å; F473-F488 HydrophobicContact CD2-CB 4.38Å; F473-F488 HydrophobicContact CE1-CB 4.19Å; F473-F488 AromaticContact CE1-CD1 3.4Å; F473-F488 HydrophobicContact CE1-CD1 3.4Å; F473-F488 HydrophobicContact CE1-CE1 4.17Å; F473-F488 HydrophobicContact CE1-CG 4.15Å; F473-F488 HydrophobicContact CE2-CB 3.93Å; F473-F488 HydrophobicContact CZ-CB 3.83Å; F473-F488 AromaticContact CZ-CD1 3.77Å; F473-F488 HydrophobicContact CZ-CD1 3.77Å; F473-F488 HydrophobicContact CZ-CG 4.06Å; F473-F488 PolarHBondContact N-O 2.8Å; F473-F488 PolarHBondContact O-N 3.11Å; F473-F488 VanDerWaalsContact O-O 3.07Å; F473-I512 HydrophobicContact CE2-CG2 4.26Å; F473-I512 HydrophobicContact CZ-CG2 4.22Å
474	Q	95.5	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	2%	0.023	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.6	164.4	-74.4	169.9	-20.5	0	0	108.1	N445 K446 N460 F461 I484 M486 Q487	N445-Q474 CarbonylContact C-O 3.52Å; N445-Q474 VanDerWaalsContact CA-O 3.25Å; N445-Q474 WeakPolarHBondContact CA-O 3.39Å; K446-Q474 HydrophobicContact CB-CB 4.08Å; K446-Q474 PolarHBondContact N-O 3.35Å; N460-Q474 PolarHBondContact O-NE2 3.25Å; F461-Q474 HydrophobicContact CD1-CG 4.33Å; F461-Q474 HydrophobicContact CE1-CG 3.98Å; Q474-I484 HydrophobicContact CB-CD1 4.25Å; Q474-I484 HydrophobicContact CB-CG2 4.1Å; Q474-I484 HydrophobicContact CG-CD1 4.46Å; Q474-I484 HydrophobicContact CG-CG2 4Å; Q474-M486 CarbonylContact C-O 3.55Å; Q474-M486 WeakPolarHBondContact CA-O 3.45Å; Q474-Q487 HydrophobicContact CG-CB 4.35Å; Q474-Q487 HydrophobicContact CG-CG 4.14Å
475	I	96	Very high	90.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.1	174.7	-54.1	-54.4	0	0	0	108.4	M404 I406 L443 Q444 N445 F473 L485 M486 M504	M404-I475 HydrophobicContact SD-CD1 4.28Å; I406-I475 HydrophobicContact CD1-CB 4.39Å; I406-I475 HydrophobicContact CD1-CD1 3.47Å; I406-I475 VanDerWaalsContact CD1-CD1 3.47Å; I406-I475 HydrophobicContact CD1-CG1 3.62Å; I406-I475 HydrophobicContact CD1-CG2 3.85Å; L443-I475 HydrophobicContact CB-CG2 3.76Å; L443-I475 HydrophobicContact CD1-CG2 4Å; Q444-I475 WeakPolarHBondContact O-CA 3.18Å; N445-I475 HydrophobicContact CB-CD1 4.18Å; F473-I475 HydrophobicContact CD2-CD1 3.5Å; F473-I475 VanDerWaalsContact CD2-CD1 3.5Å; F473-I475 HydrophobicContact CD2-CG1 3.79Å; F473-I475 HydrophobicContact CE2-CD1 3.8Å; F473-I475 HydrophobicContact CE2-CG1 3.83Å; F473-I475 HydrophobicContact CG-CD1 4.49Å; I475-L485 PolarHBondContact O-N 3.32Å; I475-M486 HydrophobicContact CB-CB 4.02Å; I475-M486 HydrophobicContact CG1-CB 4.07Å; I475-M486 HydrophobicContact CG1-SD 4.45Å; I475-M486 PolarHBondContact N-O 3.02Å; I475-M486 PolarHBondContact O-N 3.2Å; I475-M504 HydrophobicContact CG2-CE 4.07Å
476	V	95.8	Very high	90.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	163.1	-174.3	-70	0	0	0	0	110.6	Q444 K446 D481 I484	Q444-V476 HydrophobicContact CG-CG2 3.88Å; Q444-V476 PolarHBondContact N-O 2.91Å; Q444-V476 VanDerWaalsContact N-O 3.08Å; Q444-V476 PolarHBondContact O-N 2.81Å; K446-V476 HydrophobicContact CB-CG1 4.06Å; K446-V476 HydrophobicContact CB-CG2 4.01Å; K446-V476 HydrophobicContact CD-CG1 4.12Å; K446-V476 HydrophobicContact CG-CG1 4.39Å; V476-D481 WeakPolarHBondContact CG2-OD1 3.38Å; V476-I484 HydrophobicContact CG1-CD1 3.71Å
477	H	93.7	Very high	90.8	Very high	27 Å²	27	41.1 Å²	41.1	13%	0.125	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	148.6	172.3	-174.7	-121.9	0	0	0	110	L443 S479 D480 L485	L443-H477 HydrophobicContact CD2-CB 4.37Å; H477-S479 PolarHBondContact CE1-OG 3.08Å; H477-S479 VanDerWaalsContact CE1-OG 3.3Å; H477-S479 PolarHBondContact ND1-N 2.98Å; H477-S479 PolarHBondContact O-N 3.43Å; H477-S479 VanDerWaalsContact O-N 3.15Å; H477-D480 PolarHBondContact N-O 2.85Å; H477-D480 CarbonylContact O-C 3.54Å; H477-D480 PolarHBondContact O-N 3.33Å; H477-D480 VanDerWaalsContact O-N 3.1Å; H477-L485 HydrophobicContact CB-CD1 4.15Å
478	R	88.7	Confident	91.3	Very high	165 Å²	165	39.2 Å²	39.2	62%	0.623	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.8	-178.9	-175.9	-179.8	175.7	79.5	4.3	113.4
479	S	90.4	Very high	91.8	Very high	63 Å²	63	37.7 Å²	37.7	44%	0.441	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.6	-178.8	-38	0	0	0	0	113.4	H477	H477-S479 PolarHBondContact CE1-OG 3.08Å; H477-S479 VanDerWaalsContact CE1-OG 3.3Å; H477-S479 PolarHBondContact ND1-N 2.98Å; H477-S479 PolarHBondContact O-N 3.43Å; H477-S479 VanDerWaalsContact O-N 3.15Å
480	D	91.1	Very high	92.2	Very high	62 Å²	62	38 Å²	38	33%	0.332	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	93.9	179.3	-174.1	-14.3	0	0	0	109.5	H477 E482 Y483	H477-D480 PolarHBondContact N-O 2.85Å; H477-D480 CarbonylContact O-C 3.54Å; H477-D480 PolarHBondContact O-N 3.33Å; H477-D480 VanDerWaalsContact O-N 3.1Å; D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 WeakPolarHBondContact OD1-CA 3.49Å; D480-E482 PolarHBondContact OD1-N 2.97Å; D480-Y483 PolarHBondContact OD1-N 3.22Å; D480-Y483 WeakPolarHBondContact OD2-CB 3.35Å
481	D	89.4	Confident	92.9	Very high	64 Å²	64	37 Å²	37	34%	0.342	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-4.2	175.1	-87.4	-7	0	0	0	112.2	Q444 K446 V476	Q444-D481 PolarHBondContact NE2-OD1 2.8Å; K446-D481 WeakPolarHBondContact CD-O 3.36Å; K446-D481 WeakPolarHBondContact CE-O 3.2Å; K446-D481 PolarHBondContact NZ-O 3.41Å; V476-D481 WeakPolarHBondContact CG2-OD1 3.38Å
482	E	89.9	Confident	93.3	Very high	169 Å²	169	38.4 Å²	38.4	79%	0.79	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-40	176.6	-63.9	-165	169.9	0	0	112	D480 I484	D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 WeakPolarHBondContact OD1-CA 3.49Å; D480-E482 PolarHBondContact OD1-N 2.97Å; E482-I484 PolarHBondContact O-N 3.15Å
483	Y	92.1	Very high	93.1	Very high	82 Å²	82	43.5 Å²	43.5	32%	0.322	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	98.4	178.1	-166.6	-111.1	0	0	0	112.4	D480 L485	D480-Y483 PolarHBondContact OD1-N 3.22Å; D480-Y483 WeakPolarHBondContact OD2-CB 3.35Å; Y483-L485 HydrophobicContact CD1-CD2 3.63Å; Y483-L485 HydrophobicContact CD1-CG 4.1Å; Y483-L485 HydrophobicContact CE1-CD2 3.53Å; Y483-L485 HydrophobicContact CE1-CG 4.42Å; Y483-L485 PolarHBondContact O-N 3.32Å
484	I	94.3	Very high	93	Very high	39 Å²	39	44.6 Å²	44.6	20%	0.2	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	108.6	178.1	-48.7	-52.8	0	0	0	110.1	K446 Q474 V476 E482 M486 Q487 T501	K446-I484 HydrophobicContact CD-CD1 3.91Å; Q474-I484 HydrophobicContact CB-CD1 4.25Å; Q474-I484 HydrophobicContact CB-CG2 4.1Å; Q474-I484 HydrophobicContact CG-CD1 4.46Å; Q474-I484 HydrophobicContact CG-CG2 4Å; V476-I484 HydrophobicContact CG1-CD1 3.71Å; E482-I484 PolarHBondContact O-N 3.15Å; I484-M486 WeakPolarHBondContact CG2-O 3.47Å; I484-Q487 HydrophobicContact CG2-CB 4.08Å; I484-T501 PolarHBondContact O-OG1 3.07Å
485	L	96	Very high	93	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-34.3	-180	-70.9	169.5	0	0	0	113.1	L443 I475 H477 Y483 Y500 T501 F502 M504	L443-L485 HydrophobicContact CD1-CD1 3.77Å; L443-L485 HydrophobicContact CD2-CD1 3.34Å; L443-L485 HydrophobicContact CG-CD1 4.13Å; I475-L485 PolarHBondContact O-N 3.32Å; H477-L485 HydrophobicContact CB-CD1 4.15Å; Y483-L485 HydrophobicContact CD1-CD2 3.63Å; Y483-L485 HydrophobicContact CD1-CG 4.1Å; Y483-L485 HydrophobicContact CE1-CD2 3.53Å; Y483-L485 HydrophobicContact CE1-CG 4.42Å; Y483-L485 PolarHBondContact O-N 3.32Å; L485-Y500 WeakPolarHBondContact O-CA 3.37Å; L485-T501 WeakPolarHBondContact CA-OG1 3.48Å; L485-T501 PolarHBondContact O-N 3.44Å; L485-T501 PolarHBondContact O-OG1 3.47Å; L485-F502 WeakPolarHBondContact CD2-O 3.45Å; L485-M504 HydrophobicContact CB-CE 4.17Å
486	M	96.7	Very high	93	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.5	174.5	-177.5	-171.6	171.6	0	0	109.5	F473 Q474 I475 I484 F488 M498 D499 M504 A509 I512 A513	F473-M486 HydrophobicContact CE2-CE 4.26Å; F473-M486 HydrophobicContact CE2-SD 4.35Å; F473-M486 HydrophobicContact CZ-CE 4.39Å; Q474-M486 CarbonylContact C-O 3.55Å; Q474-M486 WeakPolarHBondContact CA-O 3.45Å; I475-M486 HydrophobicContact CB-CB 4.02Å; I475-M486 HydrophobicContact CG1-CB 4.07Å; I475-M486 HydrophobicContact CG1-SD 4.45Å; I475-M486 PolarHBondContact N-O 3.02Å; I475-M486 PolarHBondContact O-N 3.2Å; I484-M486 WeakPolarHBondContact CG2-O 3.47Å; M486-F488 HydrophobicContact CE-CB 4.21Å; M486-M498 HydrophobicContact CE-CG 3.76Å; M486-M498 HydrophobicContact CE-SD 4.15Å; M486-D499 CarbonylContact C-O 3.48Å; M486-D499 VanDerWaalsContact CA-O 3.3Å; M486-D499 WeakPolarHBondContact CA-O 3.17Å; M486-M504 HydrophobicContact CB-CE 3.89Å; M486-M504 HydrophobicContact CB-SD 3.83Å; M486-M504 HydrophobicContact CG-SD 4.37Å; M486-M504 HydrophobicContact SD-SD 4.17Å; M486-A509 HydrophobicContact CE-CB 4.24Å; M486-A509 WeakPolarHBondContact CE-O 3.31Å; M486-A509 HydrophobicContact SD-CB 4.2Å; M486-I512 HydrophobicContact CE-CB 4.15Å; M486-I512 HydrophobicContact CE-CG2 3.98Å; M486-I512 HydrophobicContact SD-CB 3.97Å; M486-I512 HydrophobicContact SD-CD1 4.2Å; M486-I512 HydrophobicContact SD-CG2 3.64Å; M486-A513 HydrophobicContact CE-CB 3.97Å
487	Q	95.5	Very high	93	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.5	175.3	176.4	172.3	-102.7	0	0	109.2	F461 Q474 I484 M498 D499	F461-Q487 HydrophobicContact CD1-CG 3.72Å; F461-Q487 HydrophobicContact CE1-CG 4.19Å; Q474-Q487 HydrophobicContact CG-CB 4.35Å; Q474-Q487 HydrophobicContact CG-CG 4.14Å; I484-Q487 HydrophobicContact CG2-CB 4.08Å; Q487-M498 CarbonylContact O-C 3.5Å; Q487-M498 WeakPolarHBondContact O-CA 3.45Å; Q487-D499 HydrophobicContact CB-CB 4.28Å; Q487-D499 PolarHBondContact N-O 3.18Å; Q487-D499 PolarHBondContact NE2-OD2 3.05Å; Q487-D499 VanDerWaalsContact NE2-OD2 3.08Å; Q487-D499 PolarHBondContact O-N 2.71Å
488	F	95.8	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.1	179.9	174.1	-98.2	0	0	0	111.3	I276 K471 N472 F473 M486 F496 T497 M498 A513 S516 F517	I276-F488 HydrophobicContact CD1-CD2 4.49Å; I276-F488 HydrophobicContact CD1-CE2 4.03Å; K471-F488 HydrophobicContact CB-CE1 4.26Å; K471-F488 WeakPolarHBondContact O-CD1 3.47Å; K471-F488 WeakPolarHBondContact O-CE1 3.37Å; N472-F488 CarbonylContact C-O 3.53Å; N472-F488 WeakPolarHBondContact CA-O 3.29Å; F473-F488 AromaticContact CD1-CD1 3.99Å; F473-F488 HydrophobicContact CD1-CD1 3.99Å; F473-F488 HydrophobicContact CD2-CB 4.38Å; F473-F488 HydrophobicContact CE1-CB 4.19Å; F473-F488 AromaticContact CE1-CD1 3.4Å; F473-F488 HydrophobicContact CE1-CD1 3.4Å; F473-F488 HydrophobicContact CE1-CE1 4.17Å; F473-F488 HydrophobicContact CE1-CG 4.15Å; F473-F488 HydrophobicContact CE2-CB 3.93Å; F473-F488 HydrophobicContact CZ-CB 3.83Å; F473-F488 AromaticContact CZ-CD1 3.77Å; F473-F488 HydrophobicContact CZ-CD1 3.77Å; F473-F488 HydrophobicContact CZ-CG 4.06Å; F473-F488 PolarHBondContact N-O 2.8Å; F473-F488 PolarHBondContact O-N 3.11Å; F473-F488 VanDerWaalsContact O-O 3.07Å; M486-F488 HydrophobicContact CE-CB 4.21Å; F488-F496 HydrophobicContact CD2-CB 4.49Å; F488-F496 HydrophobicContact CE2-CB 3.56Å; F488-F496 HydrophobicContact CE2-CD1 4.48Å; F488-F496 HydrophobicContact CE2-CG 4.17Å; F488-F496 HydrophobicContact CZ-CB 3.86Å; F488-F496 AromaticContact CZ-CD1 3.9Å; F488-F496 HydrophobicContact CZ-CD1 3.9Å; F488-F496 AromaticContact CZ-CG 3.97Å; F488-F496 HydrophobicContact CZ-CG 3.97Å; F488-T497 WeakPolarHBondContact CA-O 3.33Å; F488-T497 WeakPolarHBondContact CD2-O 3.39Å; F488-M498 HydrophobicContact CD2-CB 4.1Å; F488-M498 HydrophobicContact CD2-CG 4.28Å; F488-A513 HydrophobicContact CD2-CB 3.88Å; F488-A513 HydrophobicContact CE2-CB 3.95Å; F488-A513 HydrophobicContact CG-CB 4.38Å; F488-A513 HydrophobicContact CZ-CB 4.5Å; F488-S516 VanDerWaalsContact CE1-OG 3.26Å; F488-S516 WeakPolarHBondContact CE1-OG 3.34Å; F488-F517 HydrophobicContact CE2-CZ 4.07Å; F488-F517 AromaticContact CZ-CE1 3.77Å; F488-F517 HydrophobicContact CZ-CE1 3.77Å; F488-F517 HydrophobicContact CZ-CE2 4.37Å; F488-F517 AromaticContact CZ-CZ 3.56Å; F488-F517 HydrophobicContact CZ-CZ 3.56Å
489	G	93.7	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	178.2	173.4	0	0	0	0	0	114.6	N472 F496 T497	N472-G489 WeakPolarHBondContact OD1-CA 3.28Å; G489-F496 CarbonylContact O-C 3.51Å; G489-F496 WeakPolarHBondContact O-CA 3.32Å; G489-F496 WeakPolarHBondContact O-CB 3.25Å; G489-T497 PolarHBondContact N-O 3.3Å; G489-T497 PolarHBondContact O-N 3.01Å
490	R	93.3	Very high	93.8	Very high	7 Å²	7	34.2 Å²	34.2	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.1	-170.9	-165.6	-177.5	-156.5	154	18.9	113.3	D86 V465 T466 Q467 N472 S492 E493 F496	D86-R490 IonicContact OD1-CZ 2.88Å; D86-R490 IonicContact OD1-NH1 3.79Å; D86-R490 PolarHBondContact OD1-NH1 3.28Å; D86-R490 IonicContact OD1-NH2 2.74Å; D86-R490 PolarHBondContact OD1-NH2 2.59Å; D86-R490 IonicContact OD2-NH1 3.97Å; V465-R490 WeakPolarHBondContact CG1-O 3.39Å; T466-R490 PolarHBondContact N-O 3.26Å; Q467-R490 HydrophobicContact CB-CB 4.07Å; Q467-R490 HydrophobicContact CB-CG 3.93Å; Q467-R490 PolarHBondContact N-O 3.17Å; N472-R490 PolarHBondContact OD1-N 3.28Å; R490-S492 WeakPolarHBondContact CG-O 3.43Å; R490-S492 PolarHBondContact NE-O 2.9Å; R490-E493 PolarHBondContact NH2-O 2.81Å; R490-F496 HydrophobicContact CB-CD1 3.96Å; R490-F496 HydrophobicContact CB-CE1 3.99Å; R490-F496 HydrophobicContact CG-CD1 4.1Å; R490-F496 HydrophobicContact CG-CE1 3.79Å
491	I	93.3	Very high	94.1	Very high	33 Å²	33	31.5 Å²	31.5	17%	0.169	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-12.4	168.2	60.5	165.4	0	0	0	114	R464 T466 V495 T497	R464-I491 WeakPolarHBondContact O-CG2 3.07Å; T466-I491 HydrophobicContact CG2-CG2 4.28Å; T466-I491 VanDerWaalsContact OG1-CA 3.31Å; T466-I491 WeakPolarHBondContact OG1-CA 3.15Å; T466-I491 PolarHBondContact OG1-O 3.44Å; I491-V495 HydrophobicContact CD1-CB 4.5Å; I491-V495 HydrophobicContact CD1-CG1 3.8Å; I491-V495 HydrophobicContact CG1-CB 4.05Å; I491-V495 HydrophobicContact CG1-CG1 3.83Å; I491-V495 WeakPolarHBondContact CG1-O 3.25Å; I491-V495 PolarHBondContact N-O 3.13Å; I491-T497 HydrophobicContact CD1-CG2 4.12Å; I491-T497 HydrophobicContact CG2-CG2 4.09Å
492	S	92.8	Very high	94.3	Very high	56 Å²	56	29.7 Å²	29.7	39%	0.392	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	177.6	172	-162.6	0	0	0	0	110.2	Q467 R490 D494 V495	Q467-S492 VanDerWaalsContact OE1-C 3.23Å; Q467-S492 VanDerWaalsContact OE1-CA 3.31Å; R490-S492 WeakPolarHBondContact CG-O 3.43Å; R490-S492 PolarHBondContact NE-O 2.9Å; S492-D494 PolarHBondContact O-N 3.13Å; S492-D494 VanDerWaalsContact O-N 3.14Å; S492-V495 PolarHBondContact N-O 2.9Å; S492-V495 PolarHBondContact O-N 2.77Å
493	E	88.6	Confident	94.5	Very high	107 Å²	107	22.1 Å²	22.1	50%	0.5	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.5	-177.4	-165.4	-162.9	150.4	0	0	112.4	R278 K280 R490	R278-E493 PolarHBondContact NH2-O 3.33Å; K280-E493 IonicContact NZ-OE1 3.91Å; K280-E493 PolarHBondContact NZ-OE1 3.21Å; R490-E493 PolarHBondContact NH2-O 2.81Å
494	D	91.3	Very high	94.6	Very high	37 Å²	37	18.2 Å²	18.2	20%	0.198	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	18.7	-176.1	-79.3	-34.4	0	0	0	113.8	R278 K280 S492	R278-D494 HydrophobicContact CB-CB 4.28Å; R278-D494 IonicContact CZ-OD1 2.59Å; R278-D494 PolarHBondContact N-O 2.95Å; R278-D494 IonicContact NE-OD1 2.73Å; R278-D494 PolarHBondContact NE-OD1 3.49Å; R278-D494 IonicContact NH2-OD1 2.71Å; R278-D494 PolarHBondContact NH2-OD1 2.81Å; R278-D494 WeakPolarHBondContact O-CB 3.44Å; K280-D494 WeakPolarHBondContact CE-OD1 3.42Å; K280-D494 WeakPolarHBondContact CE-OD2 3.1Å; K280-D494 IonicContact NZ-OD1 2.77Å; K280-D494 PolarHBondContact NZ-OD1 2.99Å; K280-D494 IonicContact NZ-OD2 3.2Å; K280-D494 PolarHBondContact NZ-OD2 3.13Å; S492-D494 PolarHBondContact O-N 3.13Å; S492-D494 VanDerWaalsContact O-N 3.14Å
495	V	94.5	Very high	94.6	Very high	28 Å²	28	16.3 Å²	16.3	17%	0.17	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.8	-175.9	-165.8	0	0	0	0	111.4	R275 I276 T277 I491 S492	R275-V495 HydrophobicContact CG-CG1 3.98Å; I276-V495 WeakPolarHBondContact O-CA 3.41Å; T277-V495 HydrophobicContact CG2-CG1 4.21Å; T277-V495 HydrophobicContact CG2-CG2 4.4Å; I491-V495 HydrophobicContact CD1-CB 4.5Å; I491-V495 HydrophobicContact CD1-CG1 3.8Å; I491-V495 HydrophobicContact CG1-CB 4.05Å; I491-V495 HydrophobicContact CG1-CG1 3.83Å; I491-V495 WeakPolarHBondContact CG1-O 3.25Å; I491-V495 PolarHBondContact N-O 3.13Å; S492-V495 PolarHBondContact N-O 2.9Å; S492-V495 PolarHBondContact O-N 2.77Å
496	F	95.6	Very high	94.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.4	-174.2	-50.7	-93.9	0	0	0	109.7	R275 I276 R278 F488 G489 R490 F517	R275-F496 WeakPolarHBondContact CA-O 3.41Å; I276-F496 HydrophobicContact CB-CB 4.39Å; I276-F496 PolarHBondContact N-O 2.79Å; I276-F496 PolarHBondContact O-N 3.45Å; R278-F496 HydrophobicContact CB-CE2 4.43Å; F488-F496 HydrophobicContact CD2-CB 4.49Å; F488-F496 HydrophobicContact CE2-CB 3.56Å; F488-F496 HydrophobicContact CE2-CD1 4.48Å; F488-F496 HydrophobicContact CE2-CG 4.17Å; F488-F496 HydrophobicContact CZ-CB 3.86Å; F488-F496 AromaticContact CZ-CD1 3.9Å; F488-F496 HydrophobicContact CZ-CD1 3.9Å; F488-F496 AromaticContact CZ-CG 3.97Å; F488-F496 HydrophobicContact CZ-CG 3.97Å; G489-F496 CarbonylContact O-C 3.51Å; G489-F496 WeakPolarHBondContact O-CA 3.32Å; G489-F496 WeakPolarHBondContact O-CB 3.25Å; R490-F496 HydrophobicContact CB-CD1 3.96Å; R490-F496 HydrophobicContact CB-CE1 3.99Å; R490-F496 HydrophobicContact CG-CD1 4.1Å; R490-F496 HydrophobicContact CG-CE1 3.79Å; F496-F517 AromaticContact CD1-CE1 3.99Å; F496-F517 HydrophobicContact CD1-CE1 3.99Å; F496-F517 HydrophobicContact CD1-CZ 4.47Å; F496-F517 AromaticContact CD2-CE1 3.72Å; F496-F517 HydrophobicContact CD2-CE1 3.72Å; F496-F517 AromaticContact CD2-CZ 3.75Å; F496-F517 HydrophobicContact CD2-CZ 3.75Å; F496-F517 AromaticContact CE1-CE1 3.85Å; F496-F517 HydrophobicContact CE1-CE1 3.85Å; F496-F517 AromaticContact CE2-CE1 3.58Å; F496-F517 HydrophobicContact CE2-CE1 3.58Å; F496-F517 HydrophobicContact CE2-CZ 4.03Å; F496-F517 AromaticContact CG-CE1 3.96Å; F496-F517 HydrophobicContact CG-CE1 3.96Å; F496-F517 HydrophobicContact CG-CZ 4.02Å; F496-F517 HydrophobicContact CZ-CD1 4.46Å; F496-F517 AromaticContact CZ-CE1 3.67Å; F496-F517 HydrophobicContact CZ-CE1 3.67Å
497	T	96.7	Very high	94.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	146.9	168.3	43.5	0	0	0	0	109.9	R464 F488 G489 I491	R464-T497 WeakPolarHBondContact O-CB 3.5Å; R464-T497 WeakPolarHBondContact O-CG2 3.17Å; R464-T497 PolarHBondContact O-OG1 3.17Å; F488-T497 WeakPolarHBondContact CA-O 3.33Å; F488-T497 WeakPolarHBondContact CD2-O 3.39Å; G489-T497 PolarHBondContact N-O 3.3Å; G489-T497 PolarHBondContact O-N 3.01Å; I491-T497 HydrophobicContact CD1-CG2 4.12Å; I491-T497 HydrophobicContact CG2-CG2 4.09Å
498	M	96.6	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	104	177.1	-170.1	-163.5	85.4	0	0	108.4	C274 I276 L293 M486 Q487 F488 Y500 A509 F510 A513	C274-M498 CarbonylContact C-O 3.49Å; C274-M498 WeakPolarHBondContact CA-O 3.43Å; C274-M498 HydrophobicContact CB-CE 4.27Å; C274-M498 VanDerWaalsContact CB-O 3.25Å; C274-M498 WeakPolarHBondContact CB-O 3.3Å; C274-M498 PolarHBondContact N-O 3.5Å; C274-M498 PolarHBondContact O-N 3.04Å; I276-M498 HydrophobicContact CD1-CB 4.02Å; I276-M498 HydrophobicContact CD1-CG 4.35Å; I276-M498 HydrophobicContact CD1-SD 3.85Å; I276-M498 HydrophobicContact CG1-CB 4.34Å; L293-M498 HydrophobicContact CD1-CE 3.68Å; L293-M498 HydrophobicContact CD1-SD 4.08Å; L293-M498 HydrophobicContact CD2-CE 4.19Å; M486-M498 HydrophobicContact CE-CG 3.76Å; M486-M498 HydrophobicContact CE-SD 4.15Å; Q487-M498 CarbonylContact O-C 3.5Å; Q487-M498 WeakPolarHBondContact O-CA 3.45Å; F488-M498 HydrophobicContact CD2-CB 4.1Å; F488-M498 HydrophobicContact CD2-CG 4.28Å; M498-Y500 HydrophobicContact CE-CD1 3.98Å; M498-Y500 HydrophobicContact CE-CE1 4.3Å; M498-A509 HydrophobicContact CE-CB 3.58Å; M498-A509 HydrophobicContact SD-CB 3.97Å; M498-F510 HydrophobicContact SD-CB 4.4Å; M498-A513 HydrophobicContact CG-CB 4.38Å; M498-A513 HydrophobicContact SD-CB 3.95Å
499	D	96.8	Very high	94.6	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.8	178.4	-48.5	-43.9	0	0	0	108.9	T271 I272 R273 R464 M486 Q487	T271-D499 HydrophobicContact CG2-CB 3.94Å; I272-D499 WeakPolarHBondContact O-CA 3.36Å; R273-D499 WeakPolarHBondContact CA-OD1 3.39Å; R273-D499 WeakPolarHBondContact CB-OD1 3.18Å; R273-D499 HydrophobicContact CG-CB 4.47Å; R273-D499 WeakPolarHBondContact CG-OD1 3.43Å; R464-D499 WeakPolarHBondContact CG-OD2 3.29Å; R464-D499 IonicContact CZ-OD1 2.9Å; R464-D499 IonicContact CZ-OD2 3.24Å; R464-D499 IonicContact NE-OD1 3.84Å; R464-D499 PolarHBondContact NE-OD1 3.32Å; R464-D499 IonicContact NE-OD2 2.75Å; R464-D499 PolarHBondContact NE-OD2 2.81Å; R464-D499 IonicContact NH2-OD1 3.26Å; R464-D499 PolarHBondContact NH2-OD1 3.12Å; R464-D499 IonicContact NH2-OD2 3.71Å; M486-D499 CarbonylContact C-O 3.48Å; M486-D499 VanDerWaalsContact CA-O 3.3Å; M486-D499 WeakPolarHBondContact CA-O 3.17Å; Q487-D499 HydrophobicContact CB-CB 4.28Å; Q487-D499 PolarHBondContact N-O 3.18Å; Q487-D499 PolarHBondContact NE2-OD2 3.05Å; Q487-D499 VanDerWaalsContact NE2-OD2 3.08Å; Q487-D499 PolarHBondContact O-N 2.71Å
500	Y	96.9	Very high	94.8	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.016	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.3	178.9	71.9	-83.5	0	0	0	113	A266 I272 L485 M498 M504 A506 A509	A266-Y500 HydrophobicContact CB-CD2 3.97Å; A266-Y500 HydrophobicContact CB-CE2 3.76Å; I272-Y500 HydrophobicContact CB-CD1 4.03Å; I272-Y500 HydrophobicContact CB-CE1 3.58Å; I272-Y500 HydrophobicContact CB-CE2 4.15Å; I272-Y500 HydrophobicContact CB-CG 4.49Å; I272-Y500 HydrophobicContact CG1-CE1 4.41Å; I272-Y500 HydrophobicContact CG1-CE2 4.15Å; I272-Y500 HydrophobicContact CG2-CD1 4.33Å; I272-Y500 HydrophobicContact CG2-CE1 3.51Å; I272-Y500 PolarHBondContact N-O 2.94Å; I272-Y500 PolarHBondContact O-N 2.73Å; L485-Y500 WeakPolarHBondContact O-CA 3.37Å; M498-Y500 HydrophobicContact CE-CD1 3.98Å; M498-Y500 HydrophobicContact CE-CE1 4.3Å; Y500-M504 HydrophobicContact CD2-CB 4.01Å; Y500-M504 WeakPolarHBondContact CD2-O 3.36Å; Y500-M504 VanDerWaalsContact CE2-O 3.3Å; Y500-M504 WeakPolarHBondContact CE2-O 3.19Å; Y500-A506 HydrophobicContact CE1-CB 4.26Å; Y500-A506 WeakPolarHBondContact OH-CB 3.28Å; Y500-A509 HydrophobicContact CD1-CB 4.05Å; Y500-A509 HydrophobicContact CG-CB 3.95Å
501	T	95.9	Very high	94.9	Very high	5 Å²	5	15 Å²	15	3%	0.031	8%	0.081	C	C	.	.			trans	-127.2	178.2	179.4	58.6	0	0	0	0	111.2	T271 I484 L485 M504	T271-T501 HydrophobicContact CG2-CG2 4.03Å; T271-T501 WeakPolarHBondContact OG1-CG2 3.37Å; I484-T501 PolarHBondContact O-OG1 3.07Å; L485-T501 WeakPolarHBondContact CA-OG1 3.48Å; L485-T501 PolarHBondContact O-N 3.44Å; L485-T501 PolarHBondContact O-OG1 3.47Å; T501-M504 PolarHBondContact O-N 3.49Å
502	F	94.1	Very high	95.1	Very high	27 Å²	27	13.4 Å²	13.4	12%	0.118	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134.1	170.6	-178.7	-92.7	0	0	0	110.4	P265 A266 Q268 L411 L485	P265-F502 HydrophobicContact CB-CD2 4.33Å; A266-F502 WeakPolarHBondContact O-CB 3.12Å; A266-F502 WeakPolarHBondContact O-CD2 3.47Å; Q268-F502 HydrophobicContact CG-CB 4.03Å; Q268-F502 HydrophobicContact CG-CD1 3.74Å; Q268-F502 HydrophobicContact CG-CD2 3.79Å; Q268-F502 HydrophobicContact CG-CE1 4.09Å; Q268-F502 HydrophobicContact CG-CE2 4.13Å; Q268-F502 HydrophobicContact CG-CG 3.58Å; Q268-F502 HydrophobicContact CG-CZ 4.27Å; Q268-F502 VanDerWaalsContact NE2-CE1 3.34Å; Q268-F502 VanDerWaalsContact NE2-CZ 3.35Å; L411-F502 HydrophobicContact CD1-CD2 4.31Å; L411-F502 HydrophobicContact CD1-CE2 3.45Å; L411-F502 VanDerWaalsContact CD1-CE2 3.45Å; L411-F502 HydrophobicContact CD1-CZ 3.58Å; L485-F502 WeakPolarHBondContact CD2-O 3.45Å
503	P	94.1	Very high	95.2	Very high	9 Å²	9	10.8 Å²	10.8	6%	0.058	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	cis	-100.8	16	13.6	38.1	-33.8	0	0	0	115.1	L411 L441	L411-P503 HydrophobicContact CD1-CB 3.51Å; L411-P503 HydrophobicContact CG-CB 4.16Å; L441-P503 HydrophobicContact CD2-CG 3.6Å
504	M	93.9	Very high	95.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.			trans	-78.8	146.5	-175.4	-63.1	-166.6	-169.8	0	0	113.2	P265 A266 L408 L443 I475 L485 M486 Y500 T501 I512	P265-M504 WeakPolarHBondContact CA-O 3.49Å; A266-M504 PolarHBondContact N-O 3.18Å; L408-M504 HydrophobicContact CD1-CE 4.34Å; L408-M504 HydrophobicContact CD1-CG 3.95Å; L443-M504 HydrophobicContact CD1-CE 3.47Å; L443-M504 VanDerWaalsContact CD1-CE 3.47Å; I475-M504 HydrophobicContact CG2-CE 4.07Å; L485-M504 HydrophobicContact CB-CE 4.17Å; M486-M504 HydrophobicContact CB-CE 3.89Å; M486-M504 HydrophobicContact CB-SD 3.83Å; M486-M504 HydrophobicContact CG-SD 4.37Å; M486-M504 HydrophobicContact SD-SD 4.17Å; Y500-M504 HydrophobicContact CD2-CB 4.01Å; Y500-M504 WeakPolarHBondContact CD2-O 3.36Å; Y500-M504 VanDerWaalsContact CE2-O 3.3Å; Y500-M504 WeakPolarHBondContact CE2-O 3.19Å; T501-M504 PolarHBondContact O-N 3.49Å; M504-I512 HydrophobicContact CE-CD1 4.25Å; M504-I512 HydrophobicContact SD-CD1 4.03Å
505	C	94.3	Very high	95.6	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	B	Isolated β-bridge	trans	-98.3	166.8	163.9	75.7	0	0	0	0	112.2	I262 M263 K264 L507 Q508 A509	I262-C505 WeakPolarHBondContact O-CB 3.46Å; I262-C505 PolarHBondContact O-SG 3.18Å; I262-C505 VanDerWaalsContact O-SG 3.42Å; M263-C505 VanDerWaalsContact O-CB 3.25Å; M263-C505 WeakPolarHBondContact O-CB 3.45Å; K264-C505 WeakPolarHBondContact O-CA 3.28Å; K264-C505 VanDerWaalsContact O-CB 3.25Å; K264-C505 WeakPolarHBondContact O-CB 3.42Å; C505-L507 VanDerWaalsContact C-N 3.3Å; C505-L507 PolarHBondContact O-N 3.43Å; C505-Q508 PolarHBondContact O-N 3.45Å; C505-Q508 VanDerWaalsContact SG-CD 3.58Å; C505-Q508 PolarHBondContact SG-OE1 2.98Å; C505-A509 PolarHBondContact O-N 3.02Å; C505-A509 VanDerWaalsContact O-N 3.08Å
506	A	95.4	Very high	95.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.7	-36.8	-177.6	0	0	0	0	0	112.7	I262 Y500 F510	I262-A506 HydrophobicContact CB-CB 4.18Å; I262-A506 HydrophobicContact CG2-CB 4.24Å; I262-A506 PolarHBondContact O-N 2.61Å; Y500-A506 HydrophobicContact CE1-CB 4.26Å; Y500-A506 WeakPolarHBondContact OH-CB 3.28Å; A506-F510 WeakPolarHBondContact O-CB 3.33Å; A506-F510 PolarHBondContact O-N 3.48Å
507	L	95.4	Very high	95.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-68.6	-36.7	179.9	-177	58	0	0	0	112.3	I262 M263 L305 I320 T335 L386 C505 G511	I262-L507 PolarHBondContact O-N 3.32Å; M263-L507 HydrophobicContact SD-CD2 3.66Å; L305-L507 HydrophobicContact CD1-CB 4.36Å; L305-L507 HydrophobicContact CD1-CD1 3.97Å; I320-L507 HydrophobicContact CB-CD1 4.22Å; I320-L507 HydrophobicContact CD1-CD1 3.87Å; I320-L507 HydrophobicContact CG2-CD1 3.64Å; T335-L507 HydrophobicContact CG2-CD2 4.06Å; L386-L507 HydrophobicContact CD1-CD2 3.68Å; L386-L507 HydrophobicContact CD1-CG 4.13Å; C505-L507 VanDerWaalsContact C-N 3.3Å; C505-L507 PolarHBondContact O-N 3.43Å; L507-G511 PolarHBondContact O-N 3.2Å
508	Q	96	Very high	94.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-64.1	-56.1	172.5	-77.4	163	-20.7	0	0	110.9	L386 A387 L408 H417 C505 F510 G511 I512	L386-Q508 HydrophobicContact CB-CG 3.88Å; L386-Q508 WeakPolarHBondContact O-CG 3.15Å; L386-Q508 PolarHBondContact O-NE2 2.84Å; A387-Q508 HydrophobicContact CB-CG 4.45Å; L408-Q508 HydrophobicContact CD2-CG 4.43Å; H417-Q508 PolarHBondContact CE1-NE2 3.27Å; H417-Q508 PolarHBondContact NE2-NE2 2.88Å; H417-Q508 VanDerWaalsContact NE2-NE2 3.14Å; C505-Q508 PolarHBondContact O-N 3.45Å; C505-Q508 VanDerWaalsContact SG-CD 3.58Å; C505-Q508 PolarHBondContact SG-OE1 2.98Å; Q508-F510 VanDerWaalsContact C-N 3.28Å; Q508-F510 PolarHBondContact O-N 3.35Å; Q508-G511 PolarHBondContact O-N 2.83Å; Q508-G511 VanDerWaalsContact O-N 3.11Å; Q508-I512 WeakPolarHBondContact O-CD1 3.36Å; Q508-I512 VanDerWaalsContact O-CG1 3.26Å; Q508-I512 WeakPolarHBondContact O-CG1 3.48Å; Q508-I512 PolarHBondContact O-N 2.74Å
509	A	97.3	Very high	92.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58	-41.6	-179	0	0	0	0	0	111.6	M486 M498 Y500 C505 I512 A513	M486-A509 HydrophobicContact CE-CB 4.24Å; M486-A509 WeakPolarHBondContact CE-O 3.31Å; M486-A509 HydrophobicContact SD-CB 4.2Å; M498-A509 HydrophobicContact CE-CB 3.58Å; M498-A509 HydrophobicContact SD-CB 3.97Å; Y500-A509 HydrophobicContact CD1-CB 4.05Å; Y500-A509 HydrophobicContact CG-CB 3.95Å; C505-A509 PolarHBondContact O-N 3.02Å; C505-A509 VanDerWaalsContact O-N 3.08Å; A509-I512 PolarHBondContact O-N 3.04Å; A509-A513 WeakPolarHBondContact O-CB 3.44Å; A509-A513 PolarHBondContact O-N 3.25Å
510	F	97.4	Very high	91.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.5	-40.3	176.2	-169.1	-138.5	0	0	0	112.6	I276 L293 L305 A307 I320 M498 A506 Q508 A513 L514	I276-F510 HydrophobicContact CD1-CD2 3.71Å; I276-F510 HydrophobicContact CD1-CE2 3.87Å; I276-F510 HydrophobicContact CG1-CD2 4.18Å; I276-F510 HydrophobicContact CG1-CE2 4.03Å; I276-F510 HydrophobicContact CG2-CE2 4.37Å; L293-F510 HydrophobicContact CB-CD2 4.1Å; L293-F510 HydrophobicContact CB-CE1 4.44Å; L293-F510 HydrophobicContact CB-CE2 3.98Å; L293-F510 HydrophobicContact CB-CG 4.42Å; L293-F510 HydrophobicContact CB-CZ 4.14Å; L293-F510 HydrophobicContact CD1-CD2 4.23Å; L293-F510 HydrophobicContact CD2-CB 4.1Å; L293-F510 HydrophobicContact CD2-CD2 4.38Å; L293-F510 HydrophobicContact CD2-CG 4.15Å; L293-F510 HydrophobicContact CG-CD2 4.48Å; L305-F510 HydrophobicContact CB-CD1 3.69Å; L305-F510 HydrophobicContact CB-CE1 3.66Å; L305-F510 HydrophobicContact CD1-CB 4.21Å; L305-F510 HydrophobicContact CD1-CD1 3.71Å; L305-F510 HydrophobicContact CD1-CG 4.34Å; L305-F510 HydrophobicContact CG-CD1 4.35Å; A307-F510 HydrophobicContact CB-CE1 3.56Å; A307-F510 HydrophobicContact CB-CZ 3.81Å; I320-F510 HydrophobicContact CG2-CD1 4.04Å; I320-F510 HydrophobicContact CG2-CE1 4.16Å; M498-F510 HydrophobicContact SD-CB 4.4Å; A506-F510 WeakPolarHBondContact O-CB 3.33Å; A506-F510 PolarHBondContact O-N 3.48Å; Q508-F510 VanDerWaalsContact C-N 3.28Å; Q508-F510 PolarHBondContact O-N 3.35Å; F510-A513 PolarHBondContact O-N 2.86Å; F510-L514 HydrophobicContact CD1-CD1 3.92Å; F510-L514 HydrophobicContact CD2-CD1 4.34Å; F510-L514 HydrophobicContact CD2-CG 4.21Å; F510-L514 HydrophobicContact CE1-CD1 3.9Å; F510-L514 HydrophobicContact CE2-CD1 4.29Å; F510-L514 HydrophobicContact CE2-CD2 4.21Å; F510-L514 HydrophobicContact CE2-CG 4.1Å; F510-L514 HydrophobicContact CG-CD1 4.16Å; F510-L514 HydrophobicContact CG-CG 4.47Å; F510-L514 HydrophobicContact CZ-CD1 4.09Å; F510-L514 HydrophobicContact CZ-CD2 4.26Å; F510-L514 HydrophobicContact CZ-CG 4.31Å; F510-L514 WeakPolarHBondContact O-CB 3.46Å; F510-L514 WeakPolarHBondContact O-CG 2.95Å; F510-L514 PolarHBondContact O-N 3.5Å
511	G	96.6	Very high	89.3	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-41.7	173.6	0	0	0	0	0	113.1	L507 Q508 L514 S515	L507-G511 PolarHBondContact O-N 3.2Å; Q508-G511 PolarHBondContact O-N 2.83Å; Q508-G511 VanDerWaalsContact O-N 3.11Å; G511-L514 PolarHBondContact O-N 2.78Å; G511-S515 PolarHBondContact O-N 3.44Å
512	I	96.2	Very high	87	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.1	-49.6	174	-66.4	158.8	0	0	0	110.1	I389 M404 I406 F473 M486 M504 Q508 A509 L514 S515	I389-I512 HydrophobicContact CD1-CG1 4.04Å; I389-I512 HydrophobicContact CG1-CG1 3.96Å; M404-I512 HydrophobicContact CE-CG2 3.63Å; I406-I512 HydrophobicContact CD1-CD1 4.2Å; I406-I512 HydrophobicContact CD1-CG1 4.32Å; I406-I512 HydrophobicContact CD1-CG2 3.64Å; I406-I512 HydrophobicContact CG1-CG2 4.48Å; I406-I512 HydrophobicContact CG2-CD1 3.92Å; I406-I512 HydrophobicContact CG2-CG1 4.29Å; F473-I512 HydrophobicContact CE2-CG2 4.26Å; F473-I512 HydrophobicContact CZ-CG2 4.22Å; M486-I512 HydrophobicContact CE-CB 4.15Å; M486-I512 HydrophobicContact CE-CG2 3.98Å; M486-I512 HydrophobicContact SD-CB 3.97Å; M486-I512 HydrophobicContact SD-CD1 4.2Å; M486-I512 HydrophobicContact SD-CG2 3.64Å; M504-I512 HydrophobicContact CE-CD1 4.25Å; M504-I512 HydrophobicContact SD-CD1 4.03Å; Q508-I512 WeakPolarHBondContact O-CD1 3.36Å; Q508-I512 VanDerWaalsContact O-CG1 3.26Å; Q508-I512 WeakPolarHBondContact O-CG1 3.48Å; Q508-I512 PolarHBondContact O-N 2.74Å; A509-I512 PolarHBondContact O-N 3.04Å; I512-L514 PolarHBondContact O-N 2.94Å; I512-S515 PolarHBondContact O-N 3.29Å; I512-S515 PolarHBondContact O-OG 3.03Å
513	A	96.2	Very high	84.9	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176.7	0	0	0	0	0	112.3	I276 M486 F488 M498 A509 F510 S515 S516	I276-A513 HydrophobicContact CD1-CB 3.74Å; M486-A513 HydrophobicContact CE-CB 3.97Å; F488-A513 HydrophobicContact CD2-CB 3.88Å; F488-A513 HydrophobicContact CE2-CB 3.95Å; F488-A513 HydrophobicContact CG-CB 4.38Å; F488-A513 HydrophobicContact CZ-CB 4.5Å; M498-A513 HydrophobicContact CG-CB 4.38Å; M498-A513 HydrophobicContact SD-CB 3.95Å; A509-A513 WeakPolarHBondContact O-CB 3.44Å; A509-A513 PolarHBondContact O-N 3.25Å; F510-A513 PolarHBondContact O-N 2.86Å; A513-S515 VanDerWaalsContact C-N 3.31Å; A513-S515 PolarHBondContact O-N 2.77Å; A513-S516 VanDerWaalsContact O-CB 3.28Å; A513-S516 WeakPolarHBondContact O-CB 3.5Å; A513-S516 PolarHBondContact O-N 3.49Å; A513-S516 PolarHBondContact O-OG 3.2Å
514	L	94.7	Very high	82.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-38.2	176.6	-75	167.2	0	0	0	112.3	Y291 A307 Y318 I320 L338 F510 G511 I512 S516 F517	Y291-L514 HydrophobicContact CD1-CD2 4.3Å; Y291-L514 HydrophobicContact CD2-CD2 3.86Å; Y291-L514 HydrophobicContact CG-CD2 3.76Å; A307-L514 HydrophobicContact CB-CD1 3.52Å; A307-L514 HydrophobicContact CB-CD2 4.04Å; A307-L514 HydrophobicContact CB-CG 4.44Å; Y318-L514 HydrophobicContact CD1-CD2 4.02Å; Y318-L514 HydrophobicContact CE1-CD2 4.06Å; I320-L514 HydrophobicContact CD1-CD1 3.96Å; I320-L514 HydrophobicContact CG1-CD1 4.2Å; L338-L514 HydrophobicContact CD2-CB 3.9Å; F510-L514 HydrophobicContact CD1-CD1 3.92Å; F510-L514 HydrophobicContact CD2-CD1 4.34Å; F510-L514 HydrophobicContact CD2-CG 4.21Å; F510-L514 HydrophobicContact CE1-CD1 3.9Å; F510-L514 HydrophobicContact CE2-CD1 4.29Å; F510-L514 HydrophobicContact CE2-CD2 4.21Å; F510-L514 HydrophobicContact CE2-CG 4.1Å; F510-L514 HydrophobicContact CG-CD1 4.16Å; F510-L514 HydrophobicContact CG-CG 4.47Å; F510-L514 HydrophobicContact CZ-CD1 4.09Å; F510-L514 HydrophobicContact CZ-CD2 4.26Å; F510-L514 HydrophobicContact CZ-CG 4.31Å; F510-L514 WeakPolarHBondContact O-CB 3.46Å; F510-L514 WeakPolarHBondContact O-CG 2.95Å; F510-L514 PolarHBondContact O-N 3.5Å; G511-L514 PolarHBondContact O-N 2.78Å; I512-L514 PolarHBondContact O-N 2.94Å; L514-S516 PolarHBondContact O-N 2.89Å; L514-F517 HydrophobicContact CD2-CD2 4.25Å; L514-F517 HydrophobicContact CD2-CE2 4.48Å; L514-F517 PolarHBondContact O-N 3.38Å
515	S	93.4	Very high	81.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-18.8	175.1	79.9	0	0	0	0	113.3	Y391 G511 I512 A513 K520	Y391-S515 PolarHBondContact OH-O 2.8Å; Y391-S515 PolarHBondContact OH-OG 3.08Å; G511-S515 PolarHBondContact O-N 3.44Å; I512-S515 PolarHBondContact O-N 3.29Å; I512-S515 PolarHBondContact O-OG 3.03Å; A513-S515 VanDerWaalsContact C-N 3.31Å; A513-S515 PolarHBondContact O-N 2.77Å; S515-K520 WeakPolarHBondContact O-CE 3.28Å; S515-K520 PolarHBondContact O-NZ 2.87Å
516	S	90.4	Very high	81.2	Confident	8 Å²	8	26.7 Å²	26.7	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-77.5	-29.3	176.3	83.5	0	0	0	0	113.9	F488 A513 L514 K520	F488-S516 VanDerWaalsContact CE1-OG 3.26Å; F488-S516 WeakPolarHBondContact CE1-OG 3.34Å; A513-S516 VanDerWaalsContact O-CB 3.28Å; A513-S516 WeakPolarHBondContact O-CB 3.5Å; A513-S516 PolarHBondContact O-N 3.49Å; A513-S516 PolarHBondContact O-OG 3.2Å; L514-S516 PolarHBondContact O-N 2.89Å; S516-K520 PolarHBondContact O-NZ 2.93Å
517	F	87.9	Confident	80.4	Confident	20 Å²	20	28.2 Å²	28.2	9%	0.088	15%	0.154	C	C	.	.	H	α-helix	trans	-77.4	-21.9	-176.6	-63	-57.4	0	0	0	114.1	I276 Y291 K471 F488 F496 L514	I276-F517 HydrophobicContact CG2-CE2 4.24Å; I276-F517 HydrophobicContact CG2-CZ 4.15Å; Y291-F517 AromaticContact CD1-CD2 3.66Å; Y291-F517 HydrophobicContact CD1-CD2 3.66Å; Y291-F517 AromaticContact CD1-CE2 3.44Å; Y291-F517 HydrophobicContact CD1-CE2 3.44Å; Y291-F517 VanDerWaalsContact CD1-CE2 3.44Å; Y291-F517 HydrophobicContact CD1-CG 4.43Å; Y291-F517 HydrophobicContact CD1-CZ 4.02Å; Y291-F517 HydrophobicContact CE1-CB 4.2Å; Y291-F517 AromaticContact CE1-CD1 3.99Å; Y291-F517 HydrophobicContact CE1-CD1 3.99Å; Y291-F517 AromaticContact CE1-CD2 3.19Å; Y291-F517 HydrophobicContact CE1-CD2 3.19Å; Y291-F517 HydrophobicContact CE1-CE1 4.12Å; Y291-F517 AromaticContact CE1-CE2 3.37Å; Y291-F517 HydrophobicContact CE1-CE2 3.37Å; Y291-F517 AromaticContact CE1-CG 3.55Å; Y291-F517 HydrophobicContact CE1-CG 3.55Å; Y291-F517 AromaticContact CE1-CZ 3.83Å; Y291-F517 HydrophobicContact CE1-CZ 3.83Å; Y291-F517 HydrophobicContact CG-CE2 4.44Å; Y291-F517 AromaticContact CZ-CD2 3.74Å; Y291-F517 AromaticContact CZ-CG 3.89Å; K471-F517 HydrophobicContact CD-CD1 4.13Å; F488-F517 HydrophobicContact CE2-CZ 4.07Å; F488-F517 AromaticContact CZ-CE1 3.77Å; F488-F517 HydrophobicContact CZ-CE1 3.77Å; F488-F517 HydrophobicContact CZ-CE2 4.37Å; F488-F517 AromaticContact CZ-CZ 3.56Å; F488-F517 HydrophobicContact CZ-CZ 3.56Å; F496-F517 AromaticContact CD1-CE1 3.99Å; F496-F517 HydrophobicContact CD1-CE1 3.99Å; F496-F517 HydrophobicContact CD1-CZ 4.47Å; F496-F517 AromaticContact CD2-CE1 3.72Å; F496-F517 HydrophobicContact CD2-CE1 3.72Å; F496-F517 AromaticContact CD2-CZ 3.75Å; F496-F517 HydrophobicContact CD2-CZ 3.75Å; F496-F517 AromaticContact CE1-CE1 3.85Å; F496-F517 HydrophobicContact CE1-CE1 3.85Å; F496-F517 AromaticContact CE2-CE1 3.58Å; F496-F517 HydrophobicContact CE2-CE1 3.58Å; F496-F517 HydrophobicContact CE2-CZ 4.03Å; F496-F517 AromaticContact CG-CE1 3.96Å; F496-F517 HydrophobicContact CG-CE1 3.96Å; F496-F517 HydrophobicContact CG-CZ 4.02Å; F496-F517 HydrophobicContact CZ-CD1 4.46Å; F496-F517 AromaticContact CZ-CE1 3.67Å; F496-F517 HydrophobicContact CZ-CE1 3.67Å; L514-F517 HydrophobicContact CD2-CD2 4.25Å; L514-F517 HydrophobicContact CD2-CE2 4.48Å; L514-F517 PolarHBondContact O-N 3.38Å
518	D	81.5	Confident	79.5	Confident	10 Å²	10	29.8 Å²	29.8	5%	0.053	16%	0.163	C	C	.	.	S	Bend	trans	-75.7	144	-176.5	-156.7	39	0	0	0	111.8	R309 S316 F347 K520	R309-D518 IonicContact CZ-OD1 2.7Å; R309-D518 IonicContact NH1-OD1 3.79Å; R309-D518 PolarHBondContact NH1-OD1 2.62Å; S316-D518 WeakPolarHBondContact CB-OD2 3.32Å; S316-D518 PolarHBondContact OG-OD1 3.04Å; S316-D518 VanDerWaalsContact OG-OD1 3.04Å; S316-D518 PolarHBondContact OG-OD2 2.79Å; F347-D518 HydrophobicContact CE1-CB 4.14Å; F347-D518 HydrophobicContact CZ-CB 4.12Å; D518-K520 VanDerWaalsContact O-CD 3.31Å; D518-K520 WeakPolarHBondContact O-CD 3.44Å; D518-K520 PolarHBondContact O-NZ 3.48Å
519	S	65.3	Low	78.5	Confident	73 Å²	73	31.7 Å²	31.7	51%	0.51	17%	0.174	S	C	.	.			trans	-76.3	118.8	-179.5	53.7	0	0	0	0	111.3
520	K	66.1	Low	77.2	Confident	14 Å²	14	33.8 Å²	33.8	6%	0.061	19%	0.185	C	C	.	.			trans	-97.9	95.8	-177	-70.6	100.3	177.4	173.3	0	111.9	G344 Y391 R402 S515 S516 D518 A522 C523	G344-K520 WeakPolarHBondContact O-CG 3.35Å; Y391-K520 VanDerWaalsContact CE2-CE 3.43Å; R402-K520 VanDerWaalsContact NH2-CD 3.32Å; R402-K520 VanDerWaalsContact NH2-CG 3.31Å; S515-K520 WeakPolarHBondContact O-CE 3.28Å; S515-K520 PolarHBondContact O-NZ 2.87Å; S516-K520 PolarHBondContact O-NZ 2.93Å; D518-K520 VanDerWaalsContact O-CD 3.31Å; D518-K520 WeakPolarHBondContact O-CD 3.44Å; D518-K520 PolarHBondContact O-NZ 3.48Å; K520-A522 PolarHBondContact O-N 3.2Å; K520-C523 HydrophobicContact CB-CB 3.81Å; K520-C523 PolarHBondContact O-N 3.1Å
521	L	53.8	Low	75.8	Confident	142 Å²	142	36.2 Å²	36.2	74%	0.743	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-20.9	178.3	-63.2	173.9	0	0	0	115.8
522	A	47.4	Very low	74.2	Confident	36 Å²	36	39 Å²	39	30%	0.298	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	9.2	-178.3	0	0	0	0	0	114.3	T345 T393 K520	T345-A522 HydrophobicContact CG2-CB 3.93Å; T393-A522 HydrophobicContact CG2-CB 3.77Å; K520-A522 PolarHBondContact O-N 3.2Å
523	C	50.6	Low	72.4	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.047	23%	0.231	C	C	.	.			trans	-148.3	39.6	-169.1	-49.8	0	0	0	0	112.8	D392 R402 K520	D392-C523 PolarHBondContact O-SG 2.9Å; R402-C523 PolarHBondContact NH1-O 3.15Å; R402-C523 PolarHBondContact NH2-SG 3.17Å; K520-C523 HydrophobicContact CB-CB 3.81Å; K520-C523 PolarHBondContact O-N 3.1Å
524	E	40.9	Very low	70.2	Confident	197 Å²	197	46.1 Å²	46.1	92%	0.921	25%	0.252	S	S	*	.			trans	-106	0	167.1	-72.5	166.1	-159.7	0	0	109.2

Retrieved 524 of 524 residues in 323.6 ms (Link to these results)

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