A0A077ZGC8_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 681 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	43.5	Very low	53.7	Low	240 Å²	240	157.3 Å²	157.3	100%	1.182	76%	0.757	S	S	*	*				0	9.8	0	-84.4	-164.2	169.1	0	0	115.2	H3	M1-H3 PolarHBondContact O-N 3.14Å
2	L	48.5	Very low	54.3	Low	175 Å²	175	154.7 Å²	154.7	92%	0.916	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-2.8	178.4	-101.2	84	0	0	0	115.8
3	H	50.1	Low	54.3	Low	170 Å²	170	148.5 Å²	148.5	79%	0.787	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-8.6	-171.8	-109	-59.1	0	0	0	116.2	M1	M1-H3 PolarHBondContact O-N 3.14Å
4	R	53.5	Low	54.6	Low	231 Å²	231	144.2 Å²	144.2	87%	0.872	71%	0.709	S	S	*	*	S	Bend	trans	-92.5	-16.1	-169	-128.4	178.3	-176.8	-166.7	1.3	115.4
5	K	53.4	Low	54.6	Low	180 Å²	180	139.7 Å²	139.7	78%	0.783	70%	0.696	S	S	*	*	S	Bend	trans	-95.7	-8.8	-177.6	-74	-174.1	177	-178.1	0	115	W7	K5-W7 VanDerWaalsContact C-N 3.34Å
6	C	54	Low	54.5	Low	87 Å²	87	138.4 Å²	138.4	59%	0.588	69%	0.692	S	S	*	*	H	α-helix	trans	-76.1	-18.9	177.3	-108.6	0	0	0	0	113.9
7	W	53.8	Low	54.4	Low	194 Å²	194	134.2 Å²	134.2	74%	0.735	68%	0.684	S	S	*	*	H	α-helix	trans	-82	-31.6	-172.4	-81.6	48.8	0	0	0	113.8	K5 L11	K5-W7 VanDerWaalsContact C-N 3.34Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å
8	T	57.1	Low	54.1	Low	98 Å²	98	134.4 Å²	134.4	60%	0.601	68%	0.679	S	S	*	*	H	α-helix	trans	-74	-30.3	-177.3	23.2	0	0	0	0	113.6
9	L	58.2	Low	53.6	Low	143 Å²	143	137.7 Å²	137.7	75%	0.749	68%	0.684	S	S	*	*	H	α-helix	trans	-75.5	-21.8	178.2	-86.8	150.5	0	0	0	113.5	P13	L9-P13 VanDerWaalsContact O-CD 3.27Å; L9-P13 WeakPolarHBondContact O-CD 3.35Å
10	L	58.9	Low	52.9	Low	115 Å²	115	141.9 Å²	141.9	60%	0.602	69%	0.692	S	S	*	*	H	α-helix	trans	-84.6	-23.1	175.8	-86.6	154.4	0	0	0	113.3	P13	L10-P13 WeakPolarHBondContact O-CD 3.48Å
11	L	59.7	Low	52.3	Low	97 Å²	97	142 Å²	142	51%	0.508	69%	0.691	S	S	.	*	H	α-helix	trans	-76.9	-31.8	-177	-75.6	166.7	0	0	0	113.7	W7 L14 C15	W7-L11 WeakPolarHBondContact O-CG 3.44Å; L11-L14 PolarHBondContact O-N 3.2Å; L11-C15 WeakPolarHBondContact O-CB 3.25Å; L11-C15 PolarHBondContact O-N 3.46Å
12	L	60.9	Low	52.3	Low	126 Å²	126	136.2 Å²	136.2	66%	0.66	67%	0.665	S	S	*	*	H	α-helix	trans	-64.8	-47.3	179.8	-132.1	95.4	0	0	0	113.7	L14 C15 L16	L12-L14 VanDerWaalsContact C-N 3.33Å; L12-C15 PolarHBondContact O-N 3.27Å; L12-L16 PolarHBondContact O-N 3.13Å
13	P	54.3	Low	52	Low	75 Å²	75	136.3 Å²	136.3	49%	0.487	66%	0.66	S	S	.	*	H	α-helix	trans	-69.7	-30.4	174.8	24.6	-30.8	0	0	0	112.2	L9 L10 A17	L9-P13 VanDerWaalsContact O-CD 3.27Å; L9-P13 WeakPolarHBondContact O-CD 3.35Å; L10-P13 WeakPolarHBondContact O-CD 3.48Å; P13-A17 VanDerWaalsContact O-CB 3.27Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.07Å
14	L	59.2	Low	52	Low	88 Å²	88	129.7 Å²	129.7	46%	0.461	64%	0.638	S	S	.	*	H	α-helix	trans	-63.2	-48.7	171.2	-112.8	85.3	0	0	0	110.8	L11 L12 L16 A17 F18	L11-L14 PolarHBondContact O-N 3.2Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.09Å; L14-A17 CarbonylContact O-C 3.52Å; L14-A17 WeakPolarHBondContact O-CB 3.43Å; L14-A17 PolarHBondContact O-N 3.36Å; L14-A17 VanDerWaalsContact O-N 3.11Å; L14-F18 HydrophobicContact CB-CD2 4.34Å; L14-F18 HydrophobicContact CB-CE2 4.32Å; L14-F18 HydrophobicContact CD2-CE2 3.76Å; L14-F18 HydrophobicContact CG-CD2 4.45Å; L14-F18 HydrophobicContact CG-CE2 3.96Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.46Å
15	C	53.8	Low	52.4	Low	76 Å²	76	120.9 Å²	120.9	51%	0.514	62%	0.615	S	S	.	*	H	α-helix	trans	-62.5	-38.3	178.2	-83.5	0	0	0	0	112.2	L11 L12 F18 Y19	L11-C15 WeakPolarHBondContact O-CB 3.25Å; L11-C15 PolarHBondContact O-N 3.46Å; L12-C15 PolarHBondContact O-N 3.27Å; C15-F18 CarbonylContact O-C 3.52Å; C15-F18 PolarHBondContact O-N 2.97Å; C15-Y19 VanDerWaalsContact O-CB 3.31Å; C15-Y19 WeakPolarHBondContact O-CB 3.44Å; C15-Y19 PolarHBondContact O-N 3.31Å
16	L	52.7	Low	53.8	Low	119 Å²	119	118.6 Å²	118.6	62%	0.623	60%	0.601	S	S	*	*	H	α-helix	trans	-69.6	-33.1	173.2	-73.8	167.8	0	0	0	112.4	L12 L14 Y19 R20	L12-L16 PolarHBondContact O-N 3.13Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.09Å; L16-Y19 PolarHBondContact O-N 2.91Å; L16-R20 WeakPolarHBondContact O-CB 3.21Å; L16-R20 PolarHBondContact O-N 3.37Å
17	A	53.3	Low	55.7	Low	68 Å²	68	114.9 Å²	114.9	56%	0.562	58%	0.576	S	S	*	*	H	α-helix	trans	-68.8	-36.4	172.3	0	0	0	0	0	112.3	P13 L14	P13-A17 VanDerWaalsContact O-CB 3.27Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.07Å; L14-A17 CarbonylContact O-C 3.52Å; L14-A17 WeakPolarHBondContact O-CB 3.43Å; L14-A17 PolarHBondContact O-N 3.36Å; L14-A17 VanDerWaalsContact O-N 3.11Å
18	F	49	Very low	57.6	Low	137 Å²	137	105.7 Å²	105.7	60%	0.601	54%	0.541	S	S	*	.	H	α-helix	trans	-76.6	-30.3	173.1	-73.8	-67.8	0	0	0	112.7	L14 C15 R20 Q21	L14-F18 HydrophobicContact CB-CD2 4.34Å; L14-F18 HydrophobicContact CB-CE2 4.32Å; L14-F18 HydrophobicContact CD2-CE2 3.76Å; L14-F18 HydrophobicContact CG-CD2 4.45Å; L14-F18 HydrophobicContact CG-CE2 3.96Å; L14-F18 WeakPolarHBondContact O-CD2 3.47Å; L14-F18 PolarHBondContact O-N 3.46Å; C15-F18 CarbonylContact O-C 3.52Å; C15-F18 PolarHBondContact O-N 2.97Å; F18-R20 VanDerWaalsContact C-N 3.3Å; F18-Q21 WeakPolarHBondContact O-CB 3.24Å; F18-Q21 PolarHBondContact O-N 3.2Å; F18-Q21 VanDerWaalsContact O-N 3.13Å
19	Y	43.8	Very low	59.4	Low	197 Å²	197	103.5 Å²	103.5	77%	0.773	53%	0.528	S	S	*	.	H	α-helix	trans	-75.9	-21	172.5	-119.2	-93.4	0	0	0	112.7	C15 L16 Q21	C15-Y19 VanDerWaalsContact O-CB 3.31Å; C15-Y19 WeakPolarHBondContact O-CB 3.44Å; C15-Y19 PolarHBondContact O-N 3.31Å; L16-Y19 PolarHBondContact O-N 2.91Å; Y19-Q21 PolarHBondContact O-N 3.01Å
20	R	41	Very low	61	Low	221 Å²	221	96.8 Å²	96.8	83%	0.834	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	15.8	165.8	-135	179.1	-166.6	-172.7	3.9	112.6	L16 F18 D22	L16-R20 WeakPolarHBondContact O-CB 3.21Å; L16-R20 PolarHBondContact O-N 3.37Å; F18-R20 VanDerWaalsContact C-N 3.3Å; R20-D22 PolarHBondContact O-N 3.27Å
21	Q	39.5	Very low	62.5	Low	145 Å²	145	93.3 Å²	93.3	68%	0.678	49%	0.485	S	S	*	.	S	Bend	trans	-63.5	87.2	163.5	-172.1	166.2	11.6	0	0	108.1	F18 Y19 H23	F18-Q21 WeakPolarHBondContact O-CB 3.24Å; F18-Q21 PolarHBondContact O-N 3.2Å; F18-Q21 VanDerWaalsContact O-N 3.13Å; Y19-Q21 PolarHBondContact O-N 3.01Å; Q21-H23 VanDerWaalsContact C-N 3.29Å; Q21-H23 PolarHBondContact O-CD2 3.28Å; Q21-H23 PolarHBondContact O-N 3.12Å
22	D	44.3	Very low	64	Low	119 Å²	119	90.3 Å²	90.3	64%	0.636	47%	0.474	S	S	*	.			trans	-3.5	73.9	160.7	-151.1	13.6	0	0	0	114.2	R20 G24	R20-D22 PolarHBondContact O-N 3.27Å; D22-G24 PolarHBondContact O-N 3.4Å; D22-G24 VanDerWaalsContact O-N 3.08Å; D22-G24 VanDerWaalsContact OD1-CA 3.27Å; D22-G24 WeakPolarHBondContact OD1-CA 3.35Å; D22-G24 PolarHBondContact OD1-N 3.21Å
23	H	41.5	Very low	65.5	Low	176 Å²	176	85.6 Å²	85.6	82%	0.815	45%	0.447	S	S	*	.			trans	-65	5.4	155.3	-78.8	-87.9	0	0	0	110.6	Q21	Q21-H23 VanDerWaalsContact C-N 3.29Å; Q21-H23 PolarHBondContact O-CD2 3.28Å; Q21-H23 PolarHBondContact O-N 3.12Å
24	G	50.4	Low	67.3	Low	31 Å²	31	84.7 Å²	84.7	32%	0.32	45%	0.452	S	S	.	.			trans	-69.5	128.4	177	0	0	0	0	0	113.4	D22	D22-G24 PolarHBondContact O-N 3.4Å; D22-G24 VanDerWaalsContact O-N 3.08Å; D22-G24 VanDerWaalsContact OD1-CA 3.27Å; D22-G24 WeakPolarHBondContact OD1-CA 3.35Å; D22-G24 PolarHBondContact OD1-N 3.21Å
25	A	60.9	Low	68.8	Low	46 Å²	46	81.2 Å²	81.2	38%	0.38	44%	0.438	S	S	.	.			trans	43.6	91.3	165.5	0	0	0	0	0	115.9	C27 R242	A25-C27 PolarHBondContact O-N 3.05Å; A25-C27 VanDerWaalsContact O-N 3.08Å; A25-R242 PolarHBondContact O-NH1 2.84Å
26	R	84.4	Confident	70.5	Confident	133 Å²	133	81.7 Å²	81.7	50%	0.502	43%	0.434	S	S	.	.			trans	-67.1	1.2	171.5	-69.8	-179.3	160.8	-173.4	-4.9	115	A32 Y33	R26-A32 HydrophobicContact CB-CB 4.03Å; R26-A32 HydrophobicContact CG-CB 4.07Å; R26-Y33 HydrophobicContact CB-CE2 4.01Å; R26-Y33 WeakPolarHBondContact CB-OH 3.34Å; R26-Y33 WeakPolarHBondContact O-CE2 3.4Å
27	C	93.1	Very high	72.2	Confident	9 Å²	9	79.6 Å²	79.6	6%	0.061	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	154.7	177.4	61.7	0	0	0	0	111.2	A25 V29 P72 P165 C167	A25-C27 PolarHBondContact O-N 3.05Å; A25-C27 VanDerWaalsContact O-N 3.08Å; C27-V29 PolarHBondContact O-N 3.11Å; C27-P72 HydrophobicContact CB-CG 3.85Å; C27-P165 HydrophobicContact CB-CG 4.26Å; C27-C167 HydrophobicContact CB-CB 4.07Å; C27-C167 WeakPolarHBondContact CB-SG 3.23Å; C27-C167 PolarHBondContact O-SG 2.92Å; C27-C167 WeakPolarHBondContact SG-CA 3.3Å; C27-C167 WeakPolarHBondContact SG-CB 3.33Å; C27-C167 CovalentContact SG-SG 2.05Å; C27-C167 PolarHBondContact SG-SG 3.26Å
28	G	93.9	Very high	73.8	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	13.6	175.9	0	0	0	0	0	114.5	I38 P165 A243	G28-I38 WeakPolarHBondContact O-CD1 3.29Å; G28-P165 PolarHBondContact N-O 3.13Å; G28-A243 WeakPolarHBondContact CA-O 3.47Å; G28-A243 PolarHBondContact O-N 3.05Å
29	V	93.8	Very high	75.4	Confident	53 Å²	53	74.9 Å²	74.9	32%	0.321	40%	0.398	S	S	.	.			trans	-132.1	84.9	175.8	-173	0	0	0	0	108.8	C27 G31 A32 R242	C27-V29 PolarHBondContact O-N 3.11Å; V29-G31 PolarHBondContact O-N 3.37Å; V29-G31 VanDerWaalsContact O-N 3.16Å; V29-A32 HydrophobicContact CB-CB 4.43Å; V29-A32 HydrophobicContact CG1-CB 4.37Å; V29-A32 VanDerWaalsContact O-CB 3.29Å; V29-A32 WeakPolarHBondContact O-CB 3.46Å; V29-A32 PolarHBondContact O-N 2.93Å; V29-R242 HydrophobicContact CG2-CB 4.49Å; V29-R242 HydrophobicContact CG2-CG 4.01Å
30	P	93	Very high	77.4	Confident	2 Å²	2	67 Å²	67	1%	0.013	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.6	-176.1	-27.7	36.5	0	0	0	114.7	A32 Y33 G35 L36 I38 Y41 P52 W53	P30-A32 PolarHBondContact O-N 3.43Å; P30-A32 VanDerWaalsContact O-N 3.16Å; P30-Y33 PolarHBondContact O-N 2.9Å; P30-G35 WeakPolarHBondContact O-CA 3.49Å; P30-G35 PolarHBondContact O-N 3.36Å; P30-L36 WeakPolarHBondContact CB-O 3.48Å; P30-I38 HydrophobicContact CG-CG1 4.18Å; P30-Y41 HydrophobicContact CB-CE2 4.24Å; P30-Y41 HydrophobicContact CG-CE2 4.32Å; P30-P52 HydrophobicContact CB-CG 3.82Å; P30-P52 HydrophobicContact CG-CG 3.6Å; P30-W53 HydrophobicContact CG-CH2 4.39Å; P30-W53 HydrophobicContact CG-CZ3 3.78Å
31	G	91.2	Very high	79.2	Confident	42 Å²	42	57.7 Å²	57.7	43%	0.433	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-55.9	-28.6	175	0	0	0	0	0	113.9	V29 Y33 G34 G35	V29-G31 PolarHBondContact O-N 3.37Å; V29-G31 VanDerWaalsContact O-N 3.16Å; G31-Y33 PolarHBondContact O-N 3.12Å; G31-Y33 VanDerWaalsContact O-N 3.13Å; G31-G34 PolarHBondContact O-N 3.09Å; G31-G34 VanDerWaalsContact O-N 3.16Å; G31-G35 WeakPolarHBondContact CA-O 3.19Å
32	A	90.8	Very high	81.1	Confident	34 Å²	34	52.3 Å²	52.3	28%	0.281	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.3	-13.1	175.7	0	0	0	0	0	113.6	R26 V29 P30	R26-A32 HydrophobicContact CB-CB 4.03Å; R26-A32 HydrophobicContact CG-CB 4.07Å; V29-A32 HydrophobicContact CB-CB 4.43Å; V29-A32 HydrophobicContact CG1-CB 4.37Å; V29-A32 VanDerWaalsContact O-CB 3.29Å; V29-A32 WeakPolarHBondContact O-CB 3.46Å; V29-A32 PolarHBondContact O-N 2.93Å; P30-A32 PolarHBondContact O-N 3.43Å; P30-A32 VanDerWaalsContact O-N 3.16Å
33	Y	92.2	Very high	82.7	Confident	26 Å²	26	49.8 Å²	49.8	10%	0.102	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-118.8	16.3	178.2	-56.8	-78.4	0	0	0	112.7	R26 P30 G31 Q80 F159 N160 K161 S164	R26-Y33 HydrophobicContact CB-CE2 4.01Å; R26-Y33 WeakPolarHBondContact CB-OH 3.34Å; R26-Y33 WeakPolarHBondContact O-CE2 3.4Å; P30-Y33 PolarHBondContact O-N 2.9Å; G31-Y33 PolarHBondContact O-N 3.12Å; G31-Y33 VanDerWaalsContact O-N 3.13Å; Y33-Q80 PolarHBondContact OH-NE2 2.91Å; Y33-F159 HydrophobicContact CD1-CB 3.6Å; Y33-F159 HydrophobicContact CD1-CD2 4.19Å; Y33-F159 HydrophobicContact CD1-CG 4.32Å; Y33-F159 HydrophobicContact CE1-CB 3.9Å; Y33-F159 AromaticContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CG 4.15Å; Y33-F159 HydrophobicContact CG-CB 4.11Å; Y33-F159 AromaticContact CZ-CD2 3.8Å; Y33-N160 CarbonylContact O-C 3.58Å; Y33-K161 PolarHBondContact O-N 2.75Å; Y33-K161 VanDerWaalsContact O-N 3.16Å; Y33-S164 VanDerWaalsContact CD2-CB 3.49Å
34	G	91.2	Very high	83.7	Confident	57 Å²	57	43.7 Å²	43.7	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	10.9	-178	0	0	0	0	0	114.7	G31 K161	G31-G34 PolarHBondContact O-N 3.09Å; G31-G34 VanDerWaalsContact O-N 3.16Å; G34-K161 WeakPolarHBondContact O-CB 3.34Å
35	G	90.5	Very high	83.9	Confident	15 Å²	15	52 Å²	52	16%	0.155	30%	0.301	C	S	.	.			trans	-79.9	180	172.2	0	0	0	0	0	112.6	P30 G31 K161	P30-G35 WeakPolarHBondContact O-CA 3.49Å; P30-G35 PolarHBondContact O-N 3.36Å; G31-G35 WeakPolarHBondContact CA-O 3.19Å; G35-K161 WeakPolarHBondContact CA-O 3.42Å
36	L	89.9	Confident	83.5	Confident	85 Å²	85	54.3 Å²	54.3	45%	0.445	32%	0.315	S	S	.	.			trans	-78.2	168.8	177	-60.3	170.2	0	0	0	111.5	P30 A40 Y41 L49	P30-L36 WeakPolarHBondContact CB-O 3.48Å; L36-A40 HydrophobicContact CB-CB 4.04Å; L36-Y41 HydrophobicContact CB-CD2 4.27Å; L36-Y41 HydrophobicContact CB-CE2 3.63Å; L36-Y41 PolarHBondContact N-OH 3.15Å; L36-L49 HydrophobicContact CD1-CD1 3.5Å; L36-L49 HydrophobicContact CD1-CD2 4.26Å
37	S	88.9	Confident	82.3	Confident	75 Å²	75	53 Å²	53	52%	0.524	32%	0.318	S	S	.	.			trans	-64.8	149.7	168.3	72.1	0	0	0	0	110.2	Q39 A40 Y41	S37-Q39 PolarHBondContact O-N 2.86Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 3.27Å; S37-A40 PolarHBondContact OG-N 3.14Å; S37-Y41 VanDerWaalsContact O-CD2 3.23Å; S37-Y41 WeakPolarHBondContact O-CD2 3.34Å
38	I	87.2	Confident	80.9	Confident	12 Å²	12	57.1 Å²	57.1	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-57	-38.5	179.3	-63	168.3	0	0	0	111.3	G28 P30 A40 Y41 L42 W53 L238 A243	G28-I38 WeakPolarHBondContact O-CD1 3.29Å; P30-I38 HydrophobicContact CG-CG1 4.18Å; I38-A40 VanDerWaalsContact C-N 3.26Å; I38-A40 PolarHBondContact O-N 3.03Å; I38-Y41 WeakPolarHBondContact O-CB 3.27Å; I38-Y41 PolarHBondContact O-N 3.26Å; I38-Y41 VanDerWaalsContact O-N 3.13Å; I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.43Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.32Å; I38-W53 HydrophobicContact CD1-CH2 4.45Å; I38-W53 HydrophobicContact CG1-CH2 4.39Å; I38-L238 HydrophobicContact CD1-CD2 4.14Å; I38-L238 HydrophobicContact CG2-CD1 4.01Å; I38-L238 HydrophobicContact CG2-CD2 3.67Å; I38-L238 HydrophobicContact CG2-CG 4.5Å; I38-A243 HydrophobicContact CD1-CB 3.75Å
39	Q	82.9	Confident	80.2	Confident	95 Å²	95	59.4 Å²	59.4	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-35.5	178.5	-167.7	61.5	28.7	0	0	112.2	S37 Y41 L42 D43	S37-Q39 PolarHBondContact O-N 2.86Å; Q39-Y41 VanDerWaalsContact C-N 3.34Å; Q39-Y41 PolarHBondContact O-N 2.78Å; Q39-L42 PolarHBondContact O-N 3.22Å; Q39-L42 VanDerWaalsContact O-N 3.13Å; Q39-D43 VanDerWaalsContact CG-OD2 3.29Å; Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.32Å; Q39-D43 PolarHBondContact NE2-OD2 3.41Å; Q39-D43 VanDerWaalsContact O-CB 3.29Å; Q39-D43 WeakPolarHBondContact O-CB 3.41Å; Q39-D43 VanDerWaalsContact O-CG 3.28Å; Q39-D43 PolarHBondContact O-N 3.37Å
40	A	84.2	Confident	79.9	Confident	30 Å²	30	58 Å²	58	25%	0.248	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-36.8	176.5	0	0	0	0	0	112.6	L36 S37 I38 L42 N44	L36-A40 HydrophobicContact CB-CB 4.04Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 3.27Å; S37-A40 PolarHBondContact OG-N 3.14Å; I38-A40 VanDerWaalsContact C-N 3.26Å; I38-A40 PolarHBondContact O-N 3.03Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 3.08Å; A40-N44 WeakPolarHBondContact O-CB 3.45Å; A40-N44 PolarHBondContact O-N 3.41Å
41	Y	79.8	Confident	79.9	Confident	26 Å²	26	58 Å²	58	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-31.3	173.8	-66.4	-88.7	0	0	0	112.2	P30 L36 S37 I38 Q39 L49 V50 L51	P30-Y41 HydrophobicContact CB-CE2 4.24Å; P30-Y41 HydrophobicContact CG-CE2 4.32Å; L36-Y41 HydrophobicContact CB-CD2 4.27Å; L36-Y41 HydrophobicContact CB-CE2 3.63Å; L36-Y41 PolarHBondContact N-OH 3.15Å; S37-Y41 VanDerWaalsContact O-CD2 3.23Å; S37-Y41 WeakPolarHBondContact O-CD2 3.34Å; I38-Y41 WeakPolarHBondContact O-CB 3.27Å; I38-Y41 PolarHBondContact O-N 3.26Å; I38-Y41 VanDerWaalsContact O-N 3.13Å; Q39-Y41 VanDerWaalsContact C-N 3.34Å; Q39-Y41 PolarHBondContact O-N 2.78Å; Y41-L49 HydrophobicContact CD1-CB 3.6Å; Y41-L49 HydrophobicContact CD1-CD1 4.48Å; Y41-L49 HydrophobicContact CE1-CB 4.1Å; Y41-L49 HydrophobicContact CG-CB 4.47Å; Y41-V50 WeakPolarHBondContact CE1-O 3.49Å; Y41-L51 HydrophobicContact CD1-CD2 4.28Å; Y41-L51 HydrophobicContact CD2-CD2 4.16Å; Y41-L51 HydrophobicContact CG-CD2 3.78Å
42	L	79.9	Confident	80.1	Confident	32 Å²	32	56.2 Å²	56.2	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-90.2	-25.4	-176.1	-62.6	172.1	0	0	0	114	I38 Q39 A40 F180 F182 L238 R609	I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.43Å; I38-L42 WeakPolarHBondContact O-CG 3.47Å; I38-L42 PolarHBondContact O-N 3.32Å; Q39-L42 PolarHBondContact O-N 3.22Å; Q39-L42 VanDerWaalsContact O-N 3.13Å; A40-L42 VanDerWaalsContact C-N 3.28Å; A40-L42 PolarHBondContact O-N 3.08Å; L42-F180 HydrophobicContact CD1-CD1 3.94Å; L42-F180 HydrophobicContact CD1-CE1 3.52Å; L42-F180 HydrophobicContact CD2-CE1 4.03Å; L42-F180 HydrophobicContact CG-CE1 4.26Å; L42-F182 HydrophobicContact CD1-CD1 4.41Å; L42-F182 HydrophobicContact CD1-CE1 4.02Å; L42-F182 HydrophobicContact CD2-CD1 3.88Å; L42-F182 HydrophobicContact CD2-CE1 3.97Å; L42-F182 HydrophobicContact CD2-CG 4.24Å; L42-F182 HydrophobicContact CD2-CZ 4.44Å; L42-L238 HydrophobicContact CD1-CD1 3.71Å; L42-R609 PolarHBondContact O-NH1 3.12Å
43	D	76.8	Confident	80.4	Confident	66 Å²	66	54.6 Å²	54.6	35%	0.353	31%	0.308	S	S	.	.	H	α-helix	trans	-87.4	-26.1	-177.8	-75.3	-12.1	0	0	0	113.6	Q39 K45 R609	Q39-D43 VanDerWaalsContact CG-OD2 3.29Å; Q39-D43 WeakPolarHBondContact CG-OD2 3.49Å; Q39-D43 PolarHBondContact NE2-OD1 3.32Å; Q39-D43 PolarHBondContact NE2-OD2 3.41Å; Q39-D43 VanDerWaalsContact O-CB 3.29Å; Q39-D43 WeakPolarHBondContact O-CB 3.41Å; Q39-D43 VanDerWaalsContact O-CG 3.28Å; Q39-D43 PolarHBondContact O-N 3.37Å; D43-K45 PolarHBondContact O-N 2.81Å; D43-R609 IonicContact OD1-CZ 3.69Å; D43-R609 IonicContact OD1-NH1 3.92Å; D43-R609 PolarHBondContact OD1-NH1 2.91Å; D43-R609 IonicContact OD1-NH2 2.82Å; D43-R609 PolarHBondContact OD1-NH2 3.38Å; D43-R609 IonicContact OD2-NH2 3.83Å
44	N	62.1	Low	80.6	Confident	49 Å²	49	53.5 Å²	53.5	26%	0.262	30%	0.304	S	S	.	.			trans	-95.1	94.3	-164.9	-159.7	-15.6	0	0	0	112	A40 S46 D47 L49	A40-N44 WeakPolarHBondContact O-CB 3.45Å; A40-N44 PolarHBondContact O-N 3.41Å; N44-S46 PolarHBondContact O-N 3.39Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 2.77Å; N44-D47 VanDerWaalsContact ND2-CB 3.3Å; N44-D47 WeakPolarHBondContact ND2-CB 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.19Å; N44-D47 PolarHBondContact OD1-N 3.33Å; N44-L49 HydrophobicContact CB-CD1 4.43Å
45	K	55.5	Low	80.9	Confident	204 Å²	204	50.8 Å²	50.8	89%	0.887	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.2	168.9	-74	-171.7	178.2	-178.7	0	112.8	D43	D43-K45 PolarHBondContact O-N 2.81Å
46	S	52.3	Low	81.2	Confident	95 Å²	95	50 Å²	50	66%	0.664	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-42	-168.7	-51.6	0	0	0	0	112.5	N44 M48	N44-S46 PolarHBondContact O-N 3.39Å; N44-S46 WeakPolarHBondContact OD1-CB 3.34Å; N44-S46 PolarHBondContact OD1-N 2.77Å; S46-M48 PolarHBondContact O-N 2.99Å
47	D	59	Low	81.5	Confident	105 Å²	105	46 Å²	46	56%	0.561	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	3.3	-173.4	-65.2	-21.5	0	0	0	114.9	N44 L49	N44-D47 VanDerWaalsContact ND2-CB 3.3Å; N44-D47 WeakPolarHBondContact ND2-CB 3.29Å; N44-D47 PolarHBondContact ND2-OD2 3.19Å; N44-D47 PolarHBondContact OD1-N 3.33Å; D47-L49 HydrophobicContact CB-CD1 4.22Å; D47-L49 HydrophobicContact CB-CD2 4.37Å; D47-L49 HydrophobicContact CB-CG 3.93Å; D47-L49 PolarHBondContact O-N 2.93Å; D47-L49 VanDerWaalsContact O-N 3.12Å
48	M	63.7	Low	81.7	Confident	97 Å²	97	43.2 Å²	43.2	48%	0.478	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	40.6	169.4	-51.1	-179.4	178.9	0	0	113.6	S46 R190	S46-M48 PolarHBondContact O-N 2.99Å; M48-R190 VanDerWaalsContact SD-CZ 3.5Å; M48-R190 PolarHBondContact SD-NH1 3.21Å; M48-R190 PolarHBondContact SD-NH2 3.21Å; M48-R190 VanDerWaalsContact SD-NH2 3.36Å
49	L	79.5	Confident	82	Confident	48 Å²	48	43.9 Å²	43.9	25%	0.251	23%	0.229	S	C	.	.			trans	-79.7	135.6	-173.7	-62	169.1	0	0	0	110.8	L36 Y41 N44 D47	L36-L49 HydrophobicContact CD1-CD1 3.5Å; L36-L49 HydrophobicContact CD1-CD2 4.26Å; Y41-L49 HydrophobicContact CD1-CB 3.6Å; Y41-L49 HydrophobicContact CD1-CD1 4.48Å; Y41-L49 HydrophobicContact CE1-CB 4.1Å; Y41-L49 HydrophobicContact CG-CB 4.47Å; N44-L49 HydrophobicContact CB-CD1 4.43Å; D47-L49 HydrophobicContact CB-CD1 4.22Å; D47-L49 HydrophobicContact CB-CD2 4.37Å; D47-L49 HydrophobicContact CB-CG 3.93Å; D47-L49 PolarHBondContact O-N 2.93Å; D47-L49 VanDerWaalsContact O-N 3.12Å
50	V	88.2	Confident	82.3	Confident	22 Å²	22	43 Å²	43	13%	0.133	23%	0.228	C	C	.	.			trans	-108.5	142.1	175.4	176.9	0	0	0	0	109.1	Y41 T54 D115 L191	Y41-V50 WeakPolarHBondContact CE1-O 3.49Å; V50-T54 HydrophobicContact CG1-CG2 4.23Å; V50-D115 HydrophobicContact CG2-CB 4.01Å; V50-L191 HydrophobicContact CG1-CB 3.93Å; V50-L191 HydrophobicContact CG1-CD2 4.22Å; V50-L191 HydrophobicContact CG2-CB 3.85Å; V50-L191 WeakPolarHBondContact CG2-O 3.22Å
51	L	93.1	Very high	82.5	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.255	C	S	.	.			trans	-62.9	139.1	-178.6	-69.8	166.9	0	0	0	111	Y41 W53 T54 F182 E193	Y41-L51 HydrophobicContact CD1-CD2 4.28Å; Y41-L51 HydrophobicContact CD2-CD2 4.16Å; Y41-L51 HydrophobicContact CG-CD2 3.78Å; L51-W53 HydrophobicContact CB-CD2 4.28Å; L51-W53 HydrophobicContact CB-CZ2 3.98Å; L51-W53 HydrophobicContact CD1-CZ2 3.7Å; L51-W53 HydrophobicContact CD2-CH2 4.04Å; L51-W53 HydrophobicContact CD2-CZ2 3.75Å; L51-W53 HydrophobicContact CG-CZ2 4.04Å; L51-W53 PolarHBondContact O-N 2.83Å; L51-W53 VanDerWaalsContact O-N 3.15Å; L51-T54 WeakPolarHBondContact O-CB 3.25Å; L51-T54 PolarHBondContact O-N 3.06Å; L51-T54 PolarHBondContact O-OG1 2.91Å; L51-F182 HydrophobicContact CD1-CD2 3.75Å; L51-F182 HydrophobicContact CD1-CE2 3.07Å; L51-F182 HydrophobicContact CD1-CZ 3.75Å; L51-E193 HydrophobicContact CD1-CG 3.7Å; L51-E193 HydrophobicContact CG-CG 4Å
52	P	94.8	Very high	82.9	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.026	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.1	-166.3	29.1	-38.2	0	0	0	114.5	P30 H162 I163 S164	P30-P52 HydrophobicContact CB-CG 3.82Å; P30-P52 HydrophobicContact CG-CG 3.6Å; P52-H162 WeakPolarHBondContact CA-O 3.12Å; P52-H162 WeakPolarHBondContact CB-O 3.47Å; P52-I163 WeakPolarHBondContact O-CA 3.08Å; P52-S164 CarbonylContact C-O 3.56Å; P52-S164 WeakPolarHBondContact CB-OG 3.47Å; P52-S164 WeakPolarHBondContact CG-OG 3.28Å; P52-S164 PolarHBondContact O-N 2.89Å
53	W	96.9	Very high	83.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-17.8	171.6	44.2	78.4	0	0	0	112.9	P30 I38 L51 V55 S69 I70 S164 V166 F182 V236 A243	P30-W53 HydrophobicContact CG-CH2 4.39Å; P30-W53 HydrophobicContact CG-CZ3 3.78Å; I38-W53 HydrophobicContact CD1-CH2 4.45Å; I38-W53 HydrophobicContact CG1-CH2 4.39Å; L51-W53 HydrophobicContact CB-CD2 4.28Å; L51-W53 HydrophobicContact CB-CZ2 3.98Å; L51-W53 HydrophobicContact CD1-CZ2 3.7Å; L51-W53 HydrophobicContact CD2-CH2 4.04Å; L51-W53 HydrophobicContact CD2-CZ2 3.75Å; L51-W53 HydrophobicContact CG-CZ2 4.04Å; L51-W53 PolarHBondContact O-N 2.83Å; L51-W53 VanDerWaalsContact O-N 3.15Å; W53-V55 PolarHBondContact O-N 3.1Å; W53-S69 CarbonylContact O-C 3.55Å; W53-S69 VanDerWaalsContact O-CA 3.28Å; W53-S69 WeakPolarHBondContact O-CA 3.47Å; W53-I70 PolarHBondContact O-N 2.82Å; W53-S164 WeakPolarHBondContact CA-O 3.08Å; W53-S164 VanDerWaalsContact CB-O 3.29Å; W53-S164 WeakPolarHBondContact CB-O 3.42Å; W53-S164 PolarHBondContact N-O 2.87Å; W53-V166 HydrophobicContact CB-CB 4.03Å; W53-V166 HydrophobicContact CB-CG1 4.37Å; W53-V166 HydrophobicContact CD2-CB 3.71Å; W53-V166 HydrophobicContact CD2-CG2 4.16Å; W53-V166 HydrophobicContact CE3-CB 4.03Å; W53-V166 HydrophobicContact CE3-CG2 4.47Å; W53-V166 HydrophobicContact CG-CB 3.72Å; W53-V166 HydrophobicContact CG-CG1 4.32Å; W53-V166 HydrophobicContact CG-CG2 4.5Å; W53-V166 HydrophobicContact CZ2-CG2 4.43Å; W53-F182 HydrophobicContact CZ2-CE2 4.42Å; W53-F182 HydrophobicContact CZ2-CZ 4.39Å; W53-V236 HydrophobicContact CZ2-CG1 4.13Å; W53-A243 HydrophobicContact CH2-CB 3.34Å; W53-A243 HydrophobicContact CZ2-CB 3.76Å; W53-A243 HydrophobicContact CZ3-CB 4.09Å
54	T	96.7	Very high	84.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.4	-173.5	-55.9	0	0	0	0	110.2	V50 L51 L67 S184 L191 E193	V50-T54 HydrophobicContact CG1-CG2 4.23Å; L51-T54 WeakPolarHBondContact O-CB 3.25Å; L51-T54 PolarHBondContact O-N 3.06Å; L51-T54 PolarHBondContact O-OG1 2.91Å; T54-L67 HydrophobicContact CG2-CD2 4.41Å; T54-S184 PolarHBondContact OG1-OG 2.67Å; T54-L191 HydrophobicContact CG2-CD2 3.95Å; T54-E193 PolarHBondContact OG1-OE1 3.31Å; T54-E193 VanDerWaalsContact OG1-OE1 3.13Å
55	V	97.4	Very high	85.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	157	176.7	-56.7	0	0	0	0	111.9	W53 L67 G68 I70 V87 V110 Y111 A112	W53-V55 PolarHBondContact O-N 3.1Å; V55-L67 CarbonylContact O-C 3.58Å; V55-L67 VanDerWaalsContact O-CA 3.25Å; V55-L67 WeakPolarHBondContact O-CA 3.41Å; V55-G68 VanDerWaalsContact CG2-C 3.47Å; V55-G68 PolarHBondContact N-O 2.87Å; V55-G68 PolarHBondContact O-N 2.95Å; V55-I70 HydrophobicContact CG1-CD1 3.86Å; V55-I70 HydrophobicContact CG1-CG1 3.57Å; V55-V87 HydrophobicContact CG2-CG1 3.59Å; V55-V87 HydrophobicContact CG2-CG2 4.41Å; V55-V110 HydrophobicContact CB-CG1 3.73Å; V55-V110 HydrophobicContact CG1-CG1 4.17Å; V55-V110 HydrophobicContact CG2-CG1 3.78Å; V55-Y111 CarbonylContact C-O 3.57Å; V55-Y111 VanDerWaalsContact CA-O 3.23Å; V55-Y111 WeakPolarHBondContact CA-O 3.33Å; V55-Y111 VanDerWaalsContact CB-O 3.29Å; V55-Y111 WeakPolarHBondContact CB-O 3.36Å; V55-A112 HydrophobicContact CG1-CB 3.88Å
56	A	96.1	Very high	87.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	172.1	0	0	0	0	0	111.1	F64 V110 Y111 L117 L191	A56-F64 HydrophobicContact CB-CE2 4.38Å; A56-V110 WeakPolarHBondContact O-CA 2.86Å; A56-Y111 PolarHBondContact N-O 3.26Å; A56-Y111 PolarHBondContact O-N 2.85Å; A56-L117 HydrophobicContact CB-CD1 3.55Å; A56-L117 HydrophobicContact CB-CD2 3.78Å; A56-L117 HydrophobicContact CB-CG 3.97Å; A56-L191 HydrophobicContact CB-CD1 4.44Å; A56-L191 HydrophobicContact CB-CD2 4.34Å
57	I	96.3	Very high	89.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127	-179.6	-51.7	179.5	0	0	0	109.1	K65 C66 T89 F94 Y108 K109 V110	I57-K65 PolarHBondContact O-N 2.81Å; I57-C66 PolarHBondContact N-O 3.2Å; I57-T89 HydrophobicContact CD1-CG2 3.79Å; I57-F94 HydrophobicContact CD1-CZ 4.11Å; I57-F94 HydrophobicContact CG2-CE1 4.25Å; I57-Y108 HydrophobicContact CG2-CD1 4.38Å; I57-K109 WeakPolarHBondContact CA-O 3.48Å; I57-V110 HydrophobicContact CG1-CG2 4.26Å
58	R	93.8	Very high	91.5	Very high	16 Å²	16	34.6 Å²	34.6	6%	0.06	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.1	172.6	-69.9	-178.5	168.5	-178	-0	110.9	G62 K63 Y108 K109 Y111 L117 R118	R58-G62 WeakPolarHBondContact CD-O 3.23Å; R58-G62 PolarHBondContact NE-O 2.81Å; R58-K63 VanDerWaalsContact CA-O 3.27Å; R58-K63 WeakPolarHBondContact CA-O 3.3Å; R58-Y108 WeakPolarHBondContact O-CA 3.32Å; R58-K109 PolarHBondContact N-O 2.81Å; R58-K109 PolarHBondContact O-N 3.45Å; R58-Y111 HydrophobicContact CB-CE2 4.14Å; R58-Y111 HydrophobicContact CG-CD2 4.47Å; R58-Y111 HydrophobicContact CG-CE2 4.13Å; R58-L117 VanDerWaalsContact NH2-C 3.27Å; R58-L117 PolarHBondContact NH2-O 2.77Å; R58-R118 PolarHBondContact NH1-O 2.93Å; R58-R118 PolarHBondContact NH2-O 3.43Å
59	N	92.6	Very high	93.2	Very high	26 Å²	26	30 Å²	30	14%	0.139	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	177.4	163	71.7	2.7	0	0	0	111.3	L61 G62 K63 K65 H107 Y108	N59-L61 PolarHBondContact O-N 3.34Å; N59-L61 WeakPolarHBondContact OD1-CA 3.34Å; N59-L61 WeakPolarHBondContact OD1-CB 3.17Å; N59-L61 PolarHBondContact OD1-N 2.77Å; N59-L61 VanDerWaalsContact OD1-N 3.12Å; N59-G62 PolarHBondContact O-N 2.78Å; N59-G62 PolarHBondContact OD1-N 3.4Å; N59-K63 PolarHBondContact N-O 2.85Å; N59-K63 WeakPolarHBondContact OD1-CB 3.29Å; N59-K63 PolarHBondContact OD1-N 2.73Å; N59-K63 PolarHBondContact OD1-O 3.21Å; N59-K65 HydrophobicContact CB-CD 4.48Å; N59-K65 HydrophobicContact CB-CG 4.19Å; N59-H107 CarbonylContact C-O 3.51Å; N59-H107 VanDerWaalsContact C-O 3.25Å; N59-H107 WeakPolarHBondContact CA-O 3.43Å; N59-Y108 HydrophobicContact CB-CE1 4.44Å
60	N	89.9	Confident	94.1	Very high	76 Å²	76	27.8 Å²	27.8	41%	0.406	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.4	177.7	-83.1	-5.1	0	0	0	114.3	G62 H107	N60-G62 PolarHBondContact O-N 2.86Å; N60-H107 PolarHBondContact N-O 2.98Å; N60-H107 WeakPolarHBondContact ND2-CA 3.11Å; N60-H107 PolarHBondContact ND2-CD2 3.03Å; N60-H107 VanDerWaalsContact ND2-CD2 3.27Å; N60-H107 WeakPolarHBondContact OD1-CA 3.28Å; N60-H107 PolarHBondContact OD1-O 2.92Å
61	L	88.3	Confident	94.4	Very high	159 Å²	159	26.8 Å²	26.8	83%	0.832	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	1	174.1	-57.1	176	0	0	0	112.7	N59 K63	N59-L61 PolarHBondContact O-N 3.34Å; N59-L61 WeakPolarHBondContact OD1-CA 3.34Å; N59-L61 WeakPolarHBondContact OD1-CB 3.17Å; N59-L61 PolarHBondContact OD1-N 2.77Å; N59-L61 VanDerWaalsContact OD1-N 3.12Å; L61-K63 PolarHBondContact O-N 3.24Å
62	G	88.2	Confident	94.4	Very high	35 Å²	35	28.2 Å²	28.2	36%	0.361	15%	0.148	S	C	.	.			trans	77.3	2.8	-178.4	0	0	0	0	0	114.5	R58 N59 N60	R58-G62 WeakPolarHBondContact CD-O 3.23Å; R58-G62 PolarHBondContact NE-O 2.81Å; N59-G62 PolarHBondContact O-N 2.78Å; N59-G62 PolarHBondContact OD1-N 3.4Å; N60-G62 PolarHBondContact O-N 2.86Å
63	K	90.4	Very high	94.1	Very high	149 Å²	149	29.7 Å²	29.7	65%	0.648	16%	0.156	S	C	*	.			trans	-72.8	130.7	176.7	-171.7	176.9	178.1	173.8	0	109.8	R58 N59 L61	R58-K63 VanDerWaalsContact CA-O 3.27Å; R58-K63 WeakPolarHBondContact CA-O 3.3Å; N59-K63 PolarHBondContact N-O 2.85Å; N59-K63 WeakPolarHBondContact OD1-CB 3.29Å; N59-K63 PolarHBondContact OD1-N 2.73Å; N59-K63 PolarHBondContact OD1-O 3.21Å; L61-K63 PolarHBondContact O-N 3.24Å
64	F	92.1	Very high	92.9	Very high	35 Å²	35	36.5 Å²	36.5	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137.2	170.3	172.8	-98.2	0	0	0	110.5	A56 C66 L67 L117 Y186	A56-F64 HydrophobicContact CB-CE2 4.38Å; F64-C66 VanDerWaalsContact CE2-O 3.22Å; F64-C66 WeakPolarHBondContact CE2-O 3.22Å; F64-C66 VanDerWaalsContact CZ-C 3.48Å; F64-L67 HydrophobicContact CE2-CD2 4.09Å; F64-L67 HydrophobicContact CE2-CG 4.36Å; F64-L67 HydrophobicContact CZ-CD2 4.22Å; F64-L67 HydrophobicContact CZ-CG 4.03Å; F64-L117 HydrophobicContact CB-CD1 4.45Å; F64-L117 HydrophobicContact CD2-CD1 3.5Å; F64-L117 VanDerWaalsContact CD2-CD1 3.5Å; F64-L117 HydrophobicContact CE2-CD1 4.17Å; F64-L117 HydrophobicContact CG-CD1 4.33Å; F64-Y186 HydrophobicContact CB-CE1 4.1Å; F64-Y186 AromaticContact CD1-CD1 3.59Å; F64-Y186 HydrophobicContact CD1-CD1 3.59Å; F64-Y186 AromaticContact CD1-CE1 3.62Å; F64-Y186 HydrophobicContact CD1-CE1 3.62Å; F64-Y186 HydrophobicContact CD1-CG 4.32Å; F64-Y186 HydrophobicContact CD2-CD1 4.33Å; F64-Y186 HydrophobicContact CD2-CD2 4.42Å; F64-Y186 HydrophobicContact CD2-CE1 4.26Å; F64-Y186 HydrophobicContact CD2-CE2 4.35Å; F64-Y186 HydrophobicContact CD2-CG 4.39Å; F64-Y186 AromaticContact CE1-CD1 3.52Å; F64-Y186 HydrophobicContact CE1-CD1 3.52Å; F64-Y186 HydrophobicContact CE1-CE1 4.06Å; F64-Y186 AromaticContact CE1-CG 3.96Å; F64-Y186 HydrophobicContact CE1-CG 3.96Å; F64-Y186 HydrophobicContact CE2-CD1 4.26Å; F64-Y186 HydrophobicContact CE2-CD2 4.23Å; F64-Y186 HydrophobicContact CE2-CG 4.03Å; F64-Y186 AromaticContact CG-CD1 4Å; F64-Y186 HydrophobicContact CG-CD1 4Å; F64-Y186 AromaticContact CG-CE1 3.72Å; F64-Y186 HydrophobicContact CG-CE1 3.72Å; F64-Y186 AromaticContact CG-CZ 4Å; F64-Y186 AromaticContact CZ-CD1 3.86Å; F64-Y186 HydrophobicContact CZ-CD1 3.86Å; F64-Y186 HydrophobicContact CZ-CD2 4.44Å; F64-Y186 AromaticContact CZ-CG 3.79Å; F64-Y186 HydrophobicContact CZ-CG 3.79Å
65	K	93.3	Very high	90.9	Very high	53 Å²	53	40.1 Å²	40.1	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-59.7	179.9	-65.2	-71.5	-95.3	150.1	0	110.9	I57 N59 C93	I57-K65 PolarHBondContact O-N 2.81Å; N59-K65 HydrophobicContact CB-CD 4.48Å; N59-K65 HydrophobicContact CB-CG 4.19Å; K65-C93 VanDerWaalsContact CE-O 3.29Å; K65-C93 WeakPolarHBondContact CE-O 3.41Å
66	C	95.5	Very high	88.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	167	-177	-69.1	0	0	0	0	112.1	I57 F64 C93 L231	I57-C66 PolarHBondContact N-O 3.2Å; F64-C66 VanDerWaalsContact CE2-O 3.22Å; F64-C66 WeakPolarHBondContact CE2-O 3.22Å; F64-C66 VanDerWaalsContact CZ-C 3.48Å; C66-C93 HydrophobicContact CB-CB 3.79Å; C66-C93 VanDerWaalsContact CB-SG 3.57Å; C66-C93 WeakPolarHBondContact SG-CA 3.42Å; C66-C93 WeakPolarHBondContact SG-CB 3.5Å; C66-C93 VanDerWaalsContact SG-SG 3.63Å; C66-L231 CarbonylContact C-O 3.45Å; C66-L231 VanDerWaalsContact CA-O 3.3Å; C66-L231 WeakPolarHBondContact CA-O 3.12Å; C66-L231 WeakPolarHBondContact CB-O 3.48Å; C66-L231 WeakPolarHBondContact SG-CD2 3.24Å; C66-L231 WeakPolarHBondContact SG-CG 3.31Å
67	L	96.8	Very high	86.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	177.4	159.7	-63.7	169.4	0	0	0	110.4	T54 V55 F64 T89 S184 L191 L231 G232	T54-L67 HydrophobicContact CG2-CD2 4.41Å; V55-L67 CarbonylContact O-C 3.58Å; V55-L67 VanDerWaalsContact O-CA 3.25Å; V55-L67 WeakPolarHBondContact O-CA 3.41Å; F64-L67 HydrophobicContact CE2-CD2 4.09Å; F64-L67 HydrophobicContact CE2-CG 4.36Å; F64-L67 HydrophobicContact CZ-CD2 4.22Å; F64-L67 HydrophobicContact CZ-CG 4.03Å; L67-T89 PolarHBondContact O-OG1 2.89Å; L67-S184 VanDerWaalsContact CD1-C 3.42Å; L67-S184 WeakPolarHBondContact CD1-O 3.23Å; L67-L191 HydrophobicContact CD2-CD2 4.23Å; L67-L191 HydrophobicContact CD2-CG 4.05Å; L67-L231 PolarHBondContact N-O 2.88Å; L67-G232 CarbonylContact C-O 3.15Å; L67-G232 CarbonylContact O-C 3.19Å
68	G	98.1	Very high	84.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-175.9	171.8	0	0	0	0	0	110.7	V55 L88 G232	V55-G68 VanDerWaalsContact CG2-C 3.47Å; V55-G68 PolarHBondContact N-O 2.87Å; V55-G68 PolarHBondContact O-N 2.95Å; G68-L88 CarbonylContact C-O 3.6Å; G68-L88 WeakPolarHBondContact CA-O 3.05Å; G68-G232 WeakPolarHBondContact CA-O 3.37Å
69	S	98.4	Very high	83	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.8	175.6	49.8	0	0	0	0	112.2	W53 V87 L88 Q245	W53-S69 CarbonylContact O-C 3.55Å; W53-S69 VanDerWaalsContact O-CA 3.28Å; W53-S69 WeakPolarHBondContact O-CA 3.47Å; S69-V87 CarbonylContact O-C 3.51Å; S69-V87 VanDerWaalsContact O-CA 3.22Å; S69-V87 WeakPolarHBondContact O-CA 3.3Å; S69-L88 PolarHBondContact N-O 2.82Å; S69-L88 PolarHBondContact O-N 2.87Å; S69-Q245 VanDerWaalsContact CB-OE1 3.29Å; S69-Q245 PolarHBondContact OG-NE2 2.73Å; S69-Q245 VanDerWaalsContact OG-NE2 3.14Å; S69-Q245 PolarHBondContact OG-OE1 2.05Å
70	I	98.2	Very high	81.7	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.9	166.5	-59.2	165.7	0	0	0	108.2	W53 V55 V87 A112 F157 F159 I163 P165 V166	W53-I70 PolarHBondContact O-N 2.82Å; V55-I70 HydrophobicContact CG1-CD1 3.86Å; V55-I70 HydrophobicContact CG1-CG1 3.57Å; I70-V87 HydrophobicContact CG1-CG2 4.44Å; I70-A112 HydrophobicContact CD1-CB 3.93Å; I70-F157 HydrophobicContact CD1-CB 4.42Å; I70-F157 HydrophobicContact CD1-CD2 3.92Å; I70-F157 HydrophobicContact CD1-CG 4.46Å; I70-F157 HydrophobicContact CG1-CD2 4.27Å; I70-F159 HydrophobicContact CG2-CE1 3.99Å; I70-I163 HydrophobicContact CD1-CG2 3.55Å; I70-P165 HydrophobicContact CG2-CB 4.28Å; I70-P165 WeakPolarHBondContact O-CA 3.24Å; I70-V166 PolarHBondContact O-N 3.39Å
71	I	96.4	Very high	81.4	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.364	C	S	.	.			trans	-115	157	177.5	61.9	165.8	0	0	0	109.4	S84 L86 L88 L150 V166 L168 F276	I71-S84 WeakPolarHBondContact O-CB 3.33Å; I71-S84 PolarHBondContact O-OG 3.07Å; I71-L86 HydrophobicContact CD1-CB 3.98Å; I71-L86 HydrophobicContact CD1-CD1 4.36Å; I71-L86 HydrophobicContact CG1-CB 3.59Å; I71-L86 PolarHBondContact N-O 3.35Å; I71-L88 HydrophobicContact CG2-CB 4.05Å; I71-L150 HydrophobicContact CD1-CD1 3.76Å; I71-V166 HydrophobicContact CG2-CG1 4.35Å; I71-L168 HydrophobicContact CB-CD2 4.37Å; I71-L168 HydrophobicContact CB-CG 4.43Å; I71-L168 HydrophobicContact CD1-CD1 4.18Å; I71-L168 HydrophobicContact CG2-CD2 3.71Å; I71-L168 HydrophobicContact CG2-CG 4.28Å; I71-F276 HydrophobicContact CD1-CE1 4.3Å; I71-F276 HydrophobicContact CD1-CZ 3.67Å
72	P	92.8	Very high	81.5	Confident	33 Å²	33	66.8 Å²	66.8	21%	0.214	35%	0.349	C	S	.	.			trans	-59.6	145.5	176.1	-21.9	34.1	0	0	0	111.3	C27 N74 P165 V166	C27-P72 HydrophobicContact CB-CG 3.85Å; P72-N74 PolarHBondContact O-N 2.86Å; P72-P165 HydrophobicContact CG-CB 4.11Å; P72-P165 HydrophobicContact CG-CG 4.42Å; P72-V166 VanDerWaalsContact CD-O 3.3Å; P72-V166 WeakPolarHBondContact CD-O 3.14Å
73	D	88.5	Confident	81.8	Confident	36 Å²	36	69.3 Å²	69.3	19%	0.193	35%	0.348	C	S	.	.			trans	-66.1	129.9	164.5	-77.4	-8.1	0	0	0	107.9	D75 K81 S84 A85 L86	D73-D75 PolarHBondContact O-N 2.82Å; D73-K81 HydrophobicContact CB-CD 4.2Å; D73-S84 PolarHBondContact OD1-OG 3.01Å; D73-A85 PolarHBondContact OD1-N 2.98Å; D73-L86 WeakPolarHBondContact OD1-CG 3.43Å
74	N	70.6	Confident	82	Confident	143 Å²	143	62.2 Å²	62.2	77%	0.765	32%	0.317	S	S	*	.			trans	-80.3	98.2	177.8	-150.3	21.1	0	0	0	107.8	P72	P72-N74 PolarHBondContact O-N 2.86Å
75	D	55.2	Low	82.2	Confident	78 Å²	78	61.4 Å²	61.4	42%	0.417	32%	0.317	S	S	.	.			trans	-118	131.1	167.3	-111.3	-28.1	0	0	0	108.5	D73 S77 K81	D73-D75 PolarHBondContact O-N 2.82Å; D75-S77 PolarHBondContact O-N 3.02Å; D75-K81 WeakPolarHBondContact OD2-CE 3.46Å; D75-K81 IonicContact OD2-NZ 2.61Å; D75-K81 PolarHBondContact OD2-NZ 2.83Å
76	H	49.4	Very low	82.4	Confident	194 Å²	194	60.2 Å²	60.2	90%	0.898	31%	0.313	S	S	*	.	S	Bend	trans	-60.6	-10.7	172.7	-65.9	-73.2	0	0	0	112.7	A78	H76-A78 PolarHBondContact O-N 2.83Å
77	S	51.2	Low	82.5	Confident	77 Å²	77	60.2 Å²	60.2	54%	0.538	31%	0.313	S	S	.	.	S	Bend	trans	-71.9	120.2	171.3	-60.5	0	0	0	0	110.4	D75 R79	D75-S77 PolarHBondContact O-N 3.02Å; S77-R79 PolarHBondContact O-N 2.96Å
78	A	54.3	Low	82.6	Confident	113 Å²	113	60.2 Å²	60.2	93%	0.934	31%	0.313	S	S	*	.	S	Bend	trans	-54.8	-10.5	177.3	0	0	0	0	0	115.1	H76 Q80	H76-A78 PolarHBondContact O-N 2.83Å; A78-Q80 PolarHBondContact O-N 2.98Å
79	R	62.3	Low	82.6	Confident	225 Å²	225	60.2 Å²	60.2	85%	0.849	31%	0.313	S	S	*	.	S	Bend	trans	-84.1	105.7	173.4	-70.8	-174.2	-179.4	-176.6	1.2	110.7	S77 K81	S77-R79 PolarHBondContact O-N 2.96Å; R79-K81 PolarHBondContact O-N 2.98Å
80	Q	65.9	Low	82.5	Confident	64 Å²	64	60.2 Å²	60.2	30%	0.299	31%	0.313	S	S	.	.			trans	-63.1	129.5	171.8	-168.2	174.5	1	0	0	111.3	Y33 A78	Y33-Q80 PolarHBondContact OH-NE2 2.91Å; A78-Q80 PolarHBondContact O-N 2.98Å
81	K	83.7	Confident	82.3	Confident	69 Å²	69	60.2 Å²	60.2	30%	0.3	31%	0.313	S	S	.	.			trans	-70.7	142.5	175.7	-71.7	168.8	166.9	171.5	0	110.9	D73 D75 R79 Y83 F159	D73-K81 HydrophobicContact CB-CD 4.2Å; D75-K81 WeakPolarHBondContact OD2-CE 3.46Å; D75-K81 IonicContact OD2-NZ 2.61Å; D75-K81 PolarHBondContact OD2-NZ 2.83Å; R79-K81 PolarHBondContact O-N 2.98Å; K81-Y83 HydrophobicContact CB-CD1 4.34Å; K81-Y83 HydrophobicContact CB-CE1 4.22Å; K81-Y83 HydrophobicContact CB-CE2 4.49Å; K81-Y83 HydrophobicContact CD-CE1 4.44Å; K81-Y83 HydrophobicContact CD-CE2 3.92Å; K81-Y83 WeakPolarHBondContact CE-OH 3.38Å; K81-Y83 HydrophobicContact CG-CE1 4.3Å; K81-Y83 PolarHBondContact O-N 2.92Å; K81-F159 VanDerWaalsContact O-CE2 3.26Å; K81-F159 WeakPolarHBondContact O-CE2 3.3Å
82	N	90.3	Very high	82.1	Confident	96 Å²	96	60.7 Å²	60.7	51%	0.513	32%	0.317	S	S	.	.	S	Bend	trans	-81.5	21.3	172.2	-75.7	-26	0	0	0	112.9	F159	N82-F159 WeakPolarHBondContact O-CG 3.04Å; N82-F159 PolarHBondContact O-N 3.16Å
83	Y	93.9	Very high	82.2	Confident	89 Å²	89	59.2 Å²	59.2	35%	0.349	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	164.9	177.5	63.3	-97.9	0	0	0	109.6	K81 P156 F157	K81-Y83 HydrophobicContact CB-CD1 4.34Å; K81-Y83 HydrophobicContact CB-CE1 4.22Å; K81-Y83 HydrophobicContact CB-CE2 4.49Å; K81-Y83 HydrophobicContact CD-CE1 4.44Å; K81-Y83 HydrophobicContact CD-CE2 3.92Å; K81-Y83 WeakPolarHBondContact CE-OH 3.38Å; K81-Y83 HydrophobicContact CG-CE1 4.3Å; K81-Y83 PolarHBondContact O-N 2.92Å; Y83-P156 HydrophobicContact CD2-CB 3.55Å; Y83-P156 HydrophobicContact CD2-CG 3.89Å; Y83-P156 HydrophobicContact CE2-CB 4.31Å; Y83-P156 HydrophobicContact CE2-CG 4.37Å; Y83-P156 HydrophobicContact CG-CB 4.2Å; Y83-P156 HydrophobicContact CG-CG 4.4Å; Y83-F157 CarbonylContact C-O 3.52Å; Y83-F157 WeakPolarHBondContact CA-O 3.46Å; Y83-F157 VanDerWaalsContact CB-O 3.31Å; Y83-F157 WeakPolarHBondContact CB-O 3.17Å
84	S	95.3	Very high	82.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.1	170.4	162.4	0	0	0	0	111.5	I71 D73 L86 P156 F157	I71-S84 WeakPolarHBondContact O-CB 3.33Å; I71-S84 PolarHBondContact O-OG 3.07Å; D73-S84 PolarHBondContact OD1-OG 3.01Å; S84-L86 PolarHBondContact OG-N 3.09Å; S84-L86 PolarHBondContact OG-O 2.86Å; S84-P156 CarbonylContact O-C 3.56Å; S84-P156 VanDerWaalsContact O-CA 3.3Å; S84-P156 WeakPolarHBondContact O-CA 3.3Å; S84-P156 WeakPolarHBondContact O-CB 3.25Å; S84-F157 PolarHBondContact N-O 3.36Å; S84-F157 PolarHBondContact O-N 2.98Å
85	A	96.2	Very high	83.5	Confident	18 Å²	18	52.6 Å²	52.6	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	1.6	170.6	0	0	0	0	0	112.8	D73 T152 L153 P156	D73-A85 PolarHBondContact OD1-N 2.98Å; A85-T152 CarbonylContact O-C 3.53Å; A85-T152 WeakPolarHBondContact O-CA 3.46Å; A85-L153 HydrophobicContact CB-CB 4.46Å; A85-L153 WeakPolarHBondContact O-CB 3.32Å; A85-L153 WeakPolarHBondContact O-CG 3.4Å; A85-L153 PolarHBondContact O-N 3Å; A85-P156 HydrophobicContact CB-CB 4.14Å
86	L	97.2	Very high	84.8	Confident	27 Å²	27	52.7 Å²	52.7	14%	0.141	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.1	-172.3	-63.4	-176.9	0	0	0	112.2	I71 D73 S84 L150 V151	I71-L86 HydrophobicContact CD1-CB 3.98Å; I71-L86 HydrophobicContact CD1-CD1 4.36Å; I71-L86 HydrophobicContact CG1-CB 3.59Å; I71-L86 PolarHBondContact N-O 3.35Å; D73-L86 WeakPolarHBondContact OD1-CG 3.43Å; S84-L86 PolarHBondContact OG-N 3.09Å; S84-L86 PolarHBondContact OG-O 2.86Å; L86-L150 HydrophobicContact CB-CD1 4.25Å; L86-L150 HydrophobicContact CD2-CD1 4.31Å; L86-L150 HydrophobicContact CD2-CD2 4.47Å; L86-L150 HydrophobicContact CD2-CG 4.44Å; L86-V151 WeakPolarHBondContact CA-O 3.13Å
87	V	98.4	Very high	86	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.5	175.6	167.7	0	0	0	0	110	V55 S69 I70 V110 V151 L153	V55-V87 HydrophobicContact CG2-CG1 3.59Å; V55-V87 HydrophobicContact CG2-CG2 4.41Å; S69-V87 CarbonylContact O-C 3.51Å; S69-V87 VanDerWaalsContact O-CA 3.22Å; S69-V87 WeakPolarHBondContact O-CA 3.3Å; I70-V87 HydrophobicContact CG1-CG2 4.44Å; V87-V110 HydrophobicContact CG2-CG1 4.27Å; V87-V151 HydrophobicContact CB-CB 4.17Å; V87-V151 PolarHBondContact N-O 2.8Å; V87-V151 PolarHBondContact O-N 3.32Å; V87-L153 HydrophobicContact CG2-CD1 4Å; V87-L153 HydrophobicContact CG2-CD2 4.48Å; V87-L153 HydrophobicContact CG2-CG 4.33Å
88	L	98.2	Very high	87.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.5	176.9	-166.3	64.6	0	0	0	110.3	G68 S69 I71 V148 L150 L168 V248 V272 A275	G68-L88 CarbonylContact C-O 3.6Å; G68-L88 WeakPolarHBondContact CA-O 3.05Å; S69-L88 PolarHBondContact N-O 2.82Å; S69-L88 PolarHBondContact O-N 2.87Å; I71-L88 HydrophobicContact CG2-CB 4.05Å; L88-V148 HydrophobicContact CD1-CG1 3.67Å; L88-V148 HydrophobicContact CG-CG1 4.24Å; L88-L150 HydrophobicContact CD1-CD1 4.5Å; L88-L168 HydrophobicContact CD2-CD2 4.15Å; L88-V248 HydrophobicContact CD2-CG2 3.86Å; L88-V248 HydrophobicContact CG-CG2 3.71Å; L88-V272 HydrophobicContact CD2-CB 4Å; L88-V272 HydrophobicContact CD2-CG1 3.6Å; L88-A275 HydrophobicContact CD1-CB 3.44Å; L88-A275 VanDerWaalsContact CD1-CB 3.44Å
89	T	98	Very high	88.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-172.7	-175.2	-171.2	0	0	0	0	111.3	I57 L67 F94 A149 V151 V248	I57-T89 HydrophobicContact CD1-CG2 3.79Å; L67-T89 PolarHBondContact O-OG1 2.89Å; T89-F94 HydrophobicContact CG2-CE2 3.67Å; T89-F94 HydrophobicContact CG2-CZ 3.84Å; T89-A149 HydrophobicContact CG2-CB 4.11Å; T89-A149 PolarHBondContact N-O 2.61Å; T89-A149 PolarHBondContact O-N 3.04Å; T89-V151 HydrophobicContact CG2-CG2 3.87Å; T89-V248 VanDerWaalsContact C-CG1 3.46Å
90	A	96	Very high	88.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	142.1	177.7	0	0	0	0	0	111.9	S92 C93 L231 V248 L250	A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.84Å; A90-C93 WeakPolarHBondContact O-CB 3.04Å; A90-C93 PolarHBondContact O-N 3.36Å; A90-C93 VanDerWaalsContact O-N 3.09Å; A90-L231 HydrophobicContact CB-CD1 3.81Å; A90-L231 HydrophobicContact CB-CG 4.08Å; A90-V248 HydrophobicContact CB-CG1 4.35Å; A90-L250 HydrophobicContact CB-CD2 3.51Å
91	G	94.8	Very high	90	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.4	-34.1	174.7	0	0	0	0	0	113.2	C93 F94 N146 G147	G91-C93 PolarHBondContact O-N 3.15Å; G91-F94 PolarHBondContact O-N 2.99Å; G91-N146 WeakPolarHBondContact CA-O 3.42Å; G91-G147 PolarHBondContact N-O 3.45Å
92	S	92.7	Very high	90.4	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.084	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.9	-20.6	173.5	-61.4	0	0	0	0	113.6	A90 F94 R95 N143 N146	A90-S92 VanDerWaalsContact C-N 3.27Å; A90-S92 PolarHBondContact O-N 2.84Å; S92-F94 PolarHBondContact O-N 2.87Å; S92-R95 PolarHBondContact O-N 2.91Å; S92-N143 WeakPolarHBondContact OG-CA 3.45Å; S92-N143 PolarHBondContact OG-O 2.97Å; S92-N146 WeakPolarHBondContact OG-CB 3.34Å; S92-N146 PolarHBondContact OG-ND2 2.82Å
93	C	94.4	Very high	90.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-54	-36.8	172.8	-175.8	0	0	0	0	112.7	K65 C66 A90 G91	K65-C93 VanDerWaalsContact CE-O 3.29Å; K65-C93 WeakPolarHBondContact CE-O 3.41Å; C66-C93 HydrophobicContact CB-CB 3.79Å; C66-C93 VanDerWaalsContact CB-SG 3.57Å; C66-C93 WeakPolarHBondContact SG-CA 3.42Å; C66-C93 WeakPolarHBondContact SG-CB 3.5Å; C66-C93 VanDerWaalsContact SG-SG 3.63Å; A90-C93 WeakPolarHBondContact O-CB 3.04Å; A90-C93 PolarHBondContact O-N 3.36Å; A90-C93 VanDerWaalsContact O-N 3.09Å; G91-C93 PolarHBondContact O-N 3.15Å
94	F	95	Very high	90.5	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-105.9	0.8	-167.6	-50.5	-66.4	0	0	0	113.5	I57 T89 G91 S92 W102 G103 Y108 I132 I134 A149 V151 L289	I57-F94 HydrophobicContact CD1-CZ 4.11Å; I57-F94 HydrophobicContact CG2-CE1 4.25Å; T89-F94 HydrophobicContact CG2-CE2 3.67Å; T89-F94 HydrophobicContact CG2-CZ 3.84Å; G91-F94 PolarHBondContact O-N 2.99Å; S92-F94 PolarHBondContact O-N 2.87Å; F94-W102 HydrophobicContact CB-CE3 4.43Å; F94-G103 PolarHBondContact O-N 2.84Å; F94-Y108 WeakPolarHBondContact CA-OH 3.02Å; F94-Y108 HydrophobicContact CB-CE2 4.31Å; F94-Y108 AromaticContact CD1-CD1 3.86Å; F94-Y108 HydrophobicContact CD1-CD1 3.86Å; F94-Y108 AromaticContact CD1-CD2 3.69Å; F94-Y108 HydrophobicContact CD1-CD2 3.69Å; F94-Y108 AromaticContact CD1-CE1 3.86Å; F94-Y108 HydrophobicContact CD1-CE1 3.86Å; F94-Y108 AromaticContact CD1-CE2 3.68Å; F94-Y108 HydrophobicContact CD1-CE2 3.68Å; F94-Y108 AromaticContact CD1-CG 3.78Å; F94-Y108 HydrophobicContact CD1-CG 3.78Å; F94-Y108 AromaticContact CD1-CZ 3.77Å; F94-Y108 HydrophobicContact CE1-CD1 4.1Å; F94-Y108 HydrophobicContact CE1-CD2 4.17Å; F94-Y108 AromaticContact CE1-CG 3.91Å; F94-Y108 HydrophobicContact CE1-CG 3.91Å; F94-Y108 HydrophobicContact CG-CE2 4.47Å; F94-Y108 PolarHBondContact O-OH 3.43Å; F94-Y108 VanDerWaalsContact O-OH 3.12Å; F94-I132 HydrophobicContact CB-CD1 4.41Å; F94-I132 HydrophobicContact CD1-CD1 3.47Å; F94-I132 VanDerWaalsContact CD1-CD1 3.47Å; F94-I132 HydrophobicContact CD2-CD1 4.19Å; F94-I132 HydrophobicContact CD2-CG2 3.54Å; F94-I132 HydrophobicContact CE1-CD1 3.66Å; F94-I132 HydrophobicContact CE1-CG1 4.43Å; F94-I132 HydrophobicContact CE2-CD1 4.34Å; F94-I132 HydrophobicContact CE2-CG2 3.57Å; F94-I132 HydrophobicContact CG-CD1 3.75Å; F94-I132 HydrophobicContact CG-CG2 4.15Å; F94-I132 HydrophobicContact CZ-CD1 4.1Å; F94-I132 HydrophobicContact CZ-CG1 4.43Å; F94-I132 HydrophobicContact CZ-CG2 4.23Å; F94-I134 HydrophobicContact CD2-CD1 4.4Å; F94-A149 HydrophobicContact CD2-CB 4.3Å; F94-A149 HydrophobicContact CE2-CB 3.94Å; F94-V151 HydrophobicContact CE1-CG2 4.49Å; F94-V151 HydrophobicContact CE2-CG2 3.87Å; F94-V151 HydrophobicContact CZ-CG2 3.46Å; F94-V151 VanDerWaalsContact CZ-CG2 3.46Å; F94-L289 HydrophobicContact CB-CD1 4.42Å
95	R	91.3	Very high	90.6	Very high	39 Å²	39	50.6 Å²	50.6	15%	0.147	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-93.4	136.3	175.1	-162.1	168.6	178.8	-162.1	-1.1	110.7	S92 K100 W102 W145 N146	S92-R95 PolarHBondContact O-N 2.91Å; R95-K100 PolarHBondContact NE-O 3.33Å; R95-W102 HydrophobicContact CB-CE3 4.07Å; R95-W102 HydrophobicContact CB-CH2 4.34Å; R95-W102 HydrophobicContact CB-CZ3 3.8Å; R95-W102 HydrophobicContact CG-CE3 4.47Å; R95-W102 HydrophobicContact CG-CZ3 4.37Å; R95-W145 VanDerWaalsContact CZ-CZ3 3.45Å; R95-N146 WeakPolarHBondContact CD-OD1 3.4Å; R95-N146 PolarHBondContact NH1-OD1 2.88Å
96	H	83.1	Confident	90.5	Very high	80 Å²	80	58 Å²	58	37%	0.37	27%	0.273	S	S	.	.			trans	-81.6	119.6	172.2	-73.8	-91.5	0	0	0	109.7	L98 R99 K100 K101	H96-L98 PolarHBondContact O-N 2.86Å; H96-R99 HydrophobicContact CB-CB 4.37Å; H96-K100 VanDerWaalsContact O-CA 3.28Å; H96-K100 WeakPolarHBondContact O-CA 3.39Å; H96-K100 PolarHBondContact O-N 3.16Å; H96-K101 PolarHBondContact CD2-O 3.18Å; H96-K101 PolarHBondContact N-O 3.33Å
97	S	74	Confident	90.4	Very high	108 Å²	108	61 Å²	61	76%	0.755	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-47	-178.3	169.7	0	0	0	0	113
98	L	74.9	Confident	90.3	Very high	175 Å²	175	61.1 Å²	61.1	92%	0.916	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-40.1	-177	-66.8	172.5	0	0	0	114.1	H96	H96-L98 PolarHBondContact O-N 2.86Å
99	R	75.7	Confident	90.2	Very high	198 Å²	198	64.2 Å²	64.2	75%	0.747	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.1	-173.6	-67.3	-170.6	177.2	178.8	-1.3	113.6	H96 K101	H96-R99 HydrophobicContact CB-CB 4.37Å; R99-K101 HydrophobicContact CB-CB 4.45Å; R99-K101 WeakPolarHBondContact O-CG 3.35Å; R99-K101 PolarHBondContact O-N 2.95Å
100	K	78.2	Confident	90.2	Very high	116 Å²	116	64.2 Å²	64.2	50%	0.504	30%	0.3	S	S	.	.			trans	50.7	12	-171.5	-62	-170	176	-161.7	0	115.7	R95 H96 E142	R95-K100 PolarHBondContact NE-O 3.33Å; H96-K100 VanDerWaalsContact O-CA 3.28Å; H96-K100 WeakPolarHBondContact O-CA 3.39Å; H96-K100 PolarHBondContact O-N 3.16Å; K100-E142 WeakPolarHBondContact CE-OE1 3.27Å; K100-E142 IonicContact NZ-OE1 2.78Å; K100-E142 PolarHBondContact NZ-OE1 2.8Å
101	K	89.3	Confident	90.2	Very high	147 Å²	147	65.2 Å²	65.2	64%	0.639	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-89.4	151.2	-179.8	-73.2	-178.5	-178.1	-173.5	0	112.6	H96 R99	H96-K101 PolarHBondContact CD2-O 3.18Å; H96-K101 PolarHBondContact N-O 3.33Å; R99-K101 HydrophobicContact CB-CB 4.45Å; R99-K101 WeakPolarHBondContact O-CG 3.35Å; R99-K101 PolarHBondContact O-N 2.95Å
102	W	91.6	Very high	90.3	Very high	73 Å²	73	65.2 Å²	65.2	28%	0.277	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-78.1	136	171.6	-61.8	108.4	0	0	0	111.4	F94 R95 I134 W145 N146 I287 L289	F94-W102 HydrophobicContact CB-CE3 4.43Å; R95-W102 HydrophobicContact CB-CE3 4.07Å; R95-W102 HydrophobicContact CB-CH2 4.34Å; R95-W102 HydrophobicContact CB-CZ3 3.8Å; R95-W102 HydrophobicContact CG-CE3 4.47Å; R95-W102 HydrophobicContact CG-CZ3 4.37Å; W102-I134 HydrophobicContact CD2-CD1 4.48Å; W102-I134 HydrophobicContact CE3-CD1 3.68Å; W102-I134 HydrophobicContact CH2-CD1 3.95Å; W102-I134 HydrophobicContact CH2-CG2 4.36Å; W102-I134 HydrophobicContact CZ3-CD1 3.38Å; W102-W145 HydrophobicContact CZ2-CZ3 4.36Å; W102-N146 HydrophobicContact CH2-CB 4.13Å; W102-I287 HydrophobicContact CD2-CG2 4.35Å; W102-I287 HydrophobicContact CH2-CD1 4.16Å; W102-I287 HydrophobicContact CZ2-CD1 3.32Å; W102-L289 HydrophobicContact CB-CD1 4.07Å; W102-L289 HydrophobicContact CB-CD2 3.81Å; W102-L289 HydrophobicContact CE3-CD1 4.31Å; W102-L289 HydrophobicContact CG-CD2 4.22Å
103	G	92	Very high	90.3	Very high	5 Å²	5	65.8 Å²	65.8	5%	0.052	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-86	149	175.7	0	0	0	0	0	112.7	F94	F94-G103 PolarHBondContact O-N 2.84Å
104	S	94.3	Very high	90.2	Very high	55 Å²	55	66.4 Å²	66.4	39%	0.385	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-64.8	140.1	174.6	-178.4	0	0	0	0	111.9	R106 H107 Y108	S104-R106 PolarHBondContact O-N 3.06Å; S104-R106 VanDerWaalsContact O-N 3.09Å; S104-H107 WeakPolarHBondContact O-CB 3.48Å; S104-H107 PolarHBondContact O-N 3.4Å; S104-Y108 VanDerWaalsContact O-CD2 3.24Å; S104-Y108 WeakPolarHBondContact O-CD2 3.33Å; S104-Y108 WeakPolarHBondContact O-CE2 3.48Å
105	P	96.4	Very high	89.8	Confident	7 Å²	7	68.4 Å²	68.4	5%	0.045	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-52.5	-34.4	176.4	-27.5	33.8	0	0	0	113.8	H107 Y108 A129 R130 I132 L289	P105-H107 PolarHBondContact O-N 2.96Å; P105-Y108 PolarHBondContact O-N 3.49Å; P105-A129 HydrophobicContact CB-CB 4.12Å; P105-A129 WeakPolarHBondContact O-CB 3.17Å; P105-R130 WeakPolarHBondContact CB-O 3.49Å; P105-I132 HydrophobicContact CB-CD1 4.06Å; P105-I132 HydrophobicContact CB-CG1 4.22Å; P105-I132 HydrophobicContact CG-CD1 4.07Å; P105-I132 HydrophobicContact CG-CG1 4.19Å; P105-L289 HydrophobicContact CG-CB 3.91Å; P105-L289 WeakPolarHBondContact CG-O 3.29Å
106	R	95	Very high	89.7	Confident	173 Å²	173	71 Å²	71	65%	0.653	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-61.6	-18.7	179	-64	-177.8	178.7	-174	-0.2	113.2	S104 Y108	S104-R106 PolarHBondContact O-N 3.06Å; S104-R106 VanDerWaalsContact O-N 3.09Å; R106-Y108 VanDerWaalsContact C-N 3.3Å
107	H	95.2	Very high	89.8	Confident	91 Å²	91	67.2 Å²	67.2	42%	0.421	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-84.1	-1.4	178.8	-62.4	169.5	0	0	0	114.4	N59 N60 S104 P105	N59-H107 CarbonylContact C-O 3.51Å; N59-H107 VanDerWaalsContact C-O 3.25Å; N59-H107 WeakPolarHBondContact CA-O 3.43Å; N60-H107 PolarHBondContact N-O 2.98Å; N60-H107 WeakPolarHBondContact ND2-CA 3.11Å; N60-H107 PolarHBondContact ND2-CD2 3.03Å; N60-H107 VanDerWaalsContact ND2-CD2 3.27Å; N60-H107 WeakPolarHBondContact OD1-CA 3.28Å; N60-H107 PolarHBondContact OD1-O 2.92Å; S104-H107 WeakPolarHBondContact O-CB 3.48Å; S104-H107 PolarHBondContact O-N 3.4Å; P105-H107 PolarHBondContact O-N 2.96Å
108	Y	96.9	Very high	90.3	Very high	3 Å²	3	67.4 Å²	67.4	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.2	-175.4	-58.3	-79	0	0	0	111.8	I57 R58 N59 F94 S104 P105 R106 A129 I132	I57-Y108 HydrophobicContact CG2-CD1 4.38Å; R58-Y108 WeakPolarHBondContact O-CA 3.32Å; N59-Y108 HydrophobicContact CB-CE1 4.44Å; F94-Y108 WeakPolarHBondContact CA-OH 3.02Å; F94-Y108 HydrophobicContact CB-CE2 4.31Å; F94-Y108 AromaticContact CD1-CD1 3.86Å; F94-Y108 HydrophobicContact CD1-CD1 3.86Å; F94-Y108 AromaticContact CD1-CD2 3.69Å; F94-Y108 HydrophobicContact CD1-CD2 3.69Å; F94-Y108 AromaticContact CD1-CE1 3.86Å; F94-Y108 HydrophobicContact CD1-CE1 3.86Å; F94-Y108 AromaticContact CD1-CE2 3.68Å; F94-Y108 HydrophobicContact CD1-CE2 3.68Å; F94-Y108 AromaticContact CD1-CG 3.78Å; F94-Y108 HydrophobicContact CD1-CG 3.78Å; F94-Y108 AromaticContact CD1-CZ 3.77Å; F94-Y108 HydrophobicContact CE1-CD1 4.1Å; F94-Y108 HydrophobicContact CE1-CD2 4.17Å; F94-Y108 AromaticContact CE1-CG 3.91Å; F94-Y108 HydrophobicContact CE1-CG 3.91Å; F94-Y108 HydrophobicContact CG-CE2 4.47Å; F94-Y108 PolarHBondContact O-OH 3.43Å; F94-Y108 VanDerWaalsContact O-OH 3.12Å; S104-Y108 VanDerWaalsContact O-CD2 3.24Å; S104-Y108 WeakPolarHBondContact O-CD2 3.33Å; S104-Y108 WeakPolarHBondContact O-CE2 3.48Å; P105-Y108 PolarHBondContact O-N 3.49Å; R106-Y108 VanDerWaalsContact C-N 3.3Å; Y108-A129 PolarHBondContact O-N 3.38Å; Y108-A129 VanDerWaalsContact O-N 3.11Å; Y108-I132 HydrophobicContact CD2-CD1 4.12Å
109	K	96.2	Very high	90.2	Very high	64 Å²	64	64.2 Å²	64.2	28%	0.278	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.9	176.6	-65.5	172.6	-172.2	166.3	0	108.8	I57 R58 Y111 S127 K128	I57-K109 WeakPolarHBondContact CA-O 3.48Å; R58-K109 PolarHBondContact N-O 2.81Å; R58-K109 PolarHBondContact O-N 3.45Å; K109-Y111 HydrophobicContact CB-CE2 3.71Å; K109-S127 CarbonylContact C-O 3.45Å; K109-S127 WeakPolarHBondContact CA-O 3.45Å; K109-K128 HydrophobicContact CG-CG 4.34Å
110	V	97.5	Very high	89.9	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.1	178.2	-172.9	0	0	0	0	108.8	V55 A56 I57 V87 K126 S127 L153 F157	V55-V110 HydrophobicContact CB-CG1 3.73Å; V55-V110 HydrophobicContact CG1-CG1 4.17Å; V55-V110 HydrophobicContact CG2-CG1 3.78Å; A56-V110 WeakPolarHBondContact O-CA 2.86Å; I57-V110 HydrophobicContact CG1-CG2 4.26Å; V87-V110 HydrophobicContact CG2-CG1 4.27Å; V110-K126 CarbonylContact O-C 3.6Å; V110-K126 VanDerWaalsContact O-CA 3.29Å; V110-K126 WeakPolarHBondContact O-CA 3.47Å; V110-S127 PolarHBondContact N-O 2.89Å; V110-S127 PolarHBondContact O-N 2.85Å; V110-L153 HydrophobicContact CB-CD2 3.86Å; V110-L153 HydrophobicContact CG1-CD2 4.46Å; V110-L153 HydrophobicContact CG2-CD2 3.61Å; V110-F157 HydrophobicContact CG1-CE2 4.04Å; V110-F157 HydrophobicContact CG1-CZ 4.37Å
111	Y	96.1	Very high	89.5	Confident	21 Å²	21	64.8 Å²	64.8	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135	-179.2	-64.4	-99.2	0	0	0	110	V55 A56 R58 K109 N122 K125 K126	V55-Y111 CarbonylContact C-O 3.57Å; V55-Y111 VanDerWaalsContact CA-O 3.23Å; V55-Y111 WeakPolarHBondContact CA-O 3.33Å; V55-Y111 VanDerWaalsContact CB-O 3.29Å; V55-Y111 WeakPolarHBondContact CB-O 3.36Å; A56-Y111 PolarHBondContact N-O 3.26Å; A56-Y111 PolarHBondContact O-N 2.85Å; R58-Y111 HydrophobicContact CB-CE2 4.14Å; R58-Y111 HydrophobicContact CG-CD2 4.47Å; R58-Y111 HydrophobicContact CG-CE2 4.13Å; K109-Y111 HydrophobicContact CB-CE2 3.71Å; Y111-N122 HydrophobicContact CD1-CB 4.28Å; Y111-N122 HydrophobicContact CE1-CB 4.39Å; Y111-K125 CarbonylContact C-O 3.25Å; Y111-K125 WeakPolarHBondContact CA-O 3.47Å; Y111-K126 HydrophobicContact CD1-CB 3.78Å; Y111-K126 HydrophobicContact CE1-CB 3.73Å; Y111-K126 HydrophobicContact CE1-CD 4.25Å; Y111-K126 HydrophobicContact CG-CB 4.46Å
112	A	96.1	Very high	88.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	155.1	-179.3	0	0	0	0	0	111.4	V55 I70 L114 G124 K125 F157 I163	V55-A112 HydrophobicContact CG1-CB 3.88Å; I70-A112 HydrophobicContact CD1-CB 3.93Å; A112-L114 VanDerWaalsContact C-CD2 3.46Å; A112-G124 CarbonylContact O-C 3.55Å; A112-G124 WeakPolarHBondContact O-CA 3.48Å; A112-K125 PolarHBondContact N-O 2.93Å; A112-K125 PolarHBondContact O-N 2.9Å; A112-F157 HydrophobicContact CB-CD1 4.27Å; A112-F157 HydrophobicContact CB-CD2 4.01Å; A112-F157 HydrophobicContact CB-CE1 4.08Å; A112-F157 HydrophobicContact CB-CE2 3.79Å; A112-F157 HydrophobicContact CB-CG 4.25Å; A112-F157 HydrophobicContact CB-CZ 3.83Å; A112-I163 HydrophobicContact CB-CD1 3.98Å; A112-I163 HydrophobicContact CB-CG1 4.3Å
113	G	93.5	Very high	88.2	Confident	23 Å²	23	63.1 Å²	63.1	24%	0.237	30%	0.298	C	S	.	.	S	Bend	trans	69.3	43.3	177.8	0	0	0	0	0	113.6	H162	G113-H162 WeakPolarHBondContact CA-O 3.46Å
114	L	91.1	Very high	87.9	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.073	30%	0.304	C	S	.	.			trans	-143.7	146.1	179.5	68.3	168.5	0	0	0	111.2	A112 L117 N122	A112-L114 VanDerWaalsContact C-CD2 3.46Å; L114-L117 HydrophobicContact CD1-CD2 3.77Å; L114-L117 HydrophobicContact CD1-CG 4.44Å; L114-N122 HydrophobicContact CD1-CB 4.25Å
115	D	87.8	Confident	87.9	Confident	43 Å²	43	67.4 Å²	67.4	23%	0.23	31%	0.313	C	S	.	.	S	Bend	trans	-90.6	-28.5	174.1	71.1	-35.7	0	0	0	112.5	V50 R190 L191	V50-D115 HydrophobicContact CG2-CB 4.01Å; D115-R190 IonicContact OD2-NH2 2.99Å; D115-R190 PolarHBondContact OD2-NH2 3.13Å; D115-L191 PolarHBondContact O-N 2.88Å
116	R	88.6	Confident	87.8	Confident	93 Å²	93	74.3 Å²	74.3	35%	0.351	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-134.3	129.6	-171.3	-86.4	177	-87.6	-154.3	-10.8	113.1	R118 N122 R189 R190	R116-R118 PolarHBondContact O-N 3.01Å; R116-N122 PolarHBondContact O-OD1 3.2Å; R116-R189 CarbonylContact C-O 3.59Å; R116-R189 VanDerWaalsContact CA-O 3.28Å; R116-R189 WeakPolarHBondContact CA-O 3.11Å; R116-R190 HydrophobicContact CG-CB 4.48Å; R116-R190 HydrophobicContact CG-CG 3.92Å
117	L	86.2	Confident	87.9	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	31%	0.314	C	S	.	.			trans	-83.3	86.8	172.9	-81.9	179.3	0	0	0	110.8	A56 R58 F64 L114 Y186 R189 L191	A56-L117 HydrophobicContact CB-CD1 3.55Å; A56-L117 HydrophobicContact CB-CD2 3.78Å; A56-L117 HydrophobicContact CB-CG 3.97Å; R58-L117 VanDerWaalsContact NH2-C 3.27Å; R58-L117 PolarHBondContact NH2-O 2.77Å; F64-L117 HydrophobicContact CB-CD1 4.45Å; F64-L117 HydrophobicContact CD2-CD1 3.5Å; F64-L117 VanDerWaalsContact CD2-CD1 3.5Å; F64-L117 HydrophobicContact CE2-CD1 4.17Å; F64-L117 HydrophobicContact CG-CD1 4.33Å; L114-L117 HydrophobicContact CD1-CD2 3.77Å; L114-L117 HydrophobicContact CD1-CG 4.44Å; L117-Y186 HydrophobicContact CB-CE2 4.11Å; L117-Y186 HydrophobicContact CD1-CD2 4.19Å; L117-Y186 HydrophobicContact CD1-CE2 3.53Å; L117-Y186 HydrophobicContact CG-CE2 4.24Å; L117-R189 PolarHBondContact N-O 2.86Å; L117-L191 HydrophobicContact CD1-CD1 4.16Å; L117-L191 HydrophobicContact CG-CD1 3.93Å
118	R	84	Confident	88	Confident	112 Å²	112	67 Å²	67	42%	0.423	32%	0.315	S	S	.	.			trans	-74.9	154.3	175.8	-59.3	-176.6	-177.6	-162.5	-2.2	111.7	R58 R116 F120 N122	R58-R118 PolarHBondContact NH1-O 2.93Å; R58-R118 PolarHBondContact NH2-O 3.43Å; R116-R118 PolarHBondContact O-N 3.01Å; R118-F120 VanDerWaalsContact CB-O 3.25Å; R118-F120 WeakPolarHBondContact CB-O 3.39Å; R118-N122 PolarHBondContact N-OD1 2.89Å; R118-N122 PolarHBondContact O-ND2 2.86Å; R118-N122 PolarHBondContact O-OD1 2.64Å
119	L	72.7	Confident	88	Confident	109 Å²	109	66.9 Å²	66.9	57%	0.571	32%	0.315	S	S	*	.	S	Bend	trans	-64.6	-44.5	176.3	-77.8	159.9	0	0	0	110.6
120	F	70.4	Confident	88	Confident	168 Å²	168	69.2 Å²	69.2	74%	0.737	32%	0.322	S	S	*	.	S	Bend	trans	-124	157.1	177	-52.3	-79.4	0	0	0	110.1	R118	R118-F120 VanDerWaalsContact CB-O 3.25Å; R118-F120 WeakPolarHBondContact CB-O 3.39Å
121	L	68.5	Low	88.1	Confident	158 Å²	158	69.1 Å²	69.1	83%	0.827	32%	0.321	S	S	*	.			trans	49.8	66.2	170.3	-65.4	155.8	0	0	0	114.1
122	N	74.4	Confident	88.1	Confident	33 Å²	33	68.1 Å²	68.1	18%	0.176	32%	0.317	C	S	.	.			trans	-74.2	130.6	170.8	-70.1	-67.4	0	0	0	109.9	Y111 L114 R116 R118 G124	Y111-N122 HydrophobicContact CD1-CB 4.28Å; Y111-N122 HydrophobicContact CE1-CB 4.39Å; L114-N122 HydrophobicContact CD1-CB 4.25Å; R116-N122 PolarHBondContact O-OD1 3.2Å; R118-N122 PolarHBondContact N-OD1 2.89Å; R118-N122 PolarHBondContact O-ND2 2.86Å; R118-N122 PolarHBondContact O-OD1 2.64Å; N122-G124 PolarHBondContact O-N 2.86Å
123	H	78.7	Confident	88.1	Confident	151 Å²	151	71.6 Å²	71.6	70%	0.699	33%	0.331	S	S	*	.	S	Bend	trans	-70.1	-6.6	178	-67.7	-55.6	0	0	0	114.6
124	G	86.6	Confident	88.1	Confident	16 Å²	16	70.5 Å²	70.5	17%	0.165	32%	0.319	C	S	.	.	S	Bend	trans	-86.6	168.3	179.6	0	0	0	0	0	114.6	A112 N122	A112-G124 CarbonylContact O-C 3.55Å; A112-G124 WeakPolarHBondContact O-CA 3.48Å; N122-G124 PolarHBondContact O-N 2.86Å
125	K	94	Very high	88.2	Confident	134 Å²	134	70.1 Å²	70.1	58%	0.583	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	146	169	-62.6	-64.3	-176.5	-179.6	0	109.6	Y111 A112 F157 I163	Y111-K125 CarbonylContact C-O 3.25Å; Y111-K125 WeakPolarHBondContact CA-O 3.47Å; A112-K125 PolarHBondContact N-O 2.93Å; A112-K125 PolarHBondContact O-N 2.9Å; K125-F157 HydrophobicContact CB-CD1 3.79Å; K125-F157 HydrophobicContact CB-CE1 3.7Å; K125-I163 HydrophobicContact CB-CD1 3.84Å; K125-I163 HydrophobicContact CG-CD1 3.61Å
126	K	94.6	Very high	88.3	Confident	153 Å²	153	68.3 Å²	68.3	67%	0.665	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.4	178.4	72	-173.5	178.8	-168.9	0	111.7	V110 Y111	V110-K126 CarbonylContact O-C 3.6Å; V110-K126 VanDerWaalsContact O-CA 3.29Å; V110-K126 WeakPolarHBondContact O-CA 3.47Å; Y111-K126 HydrophobicContact CD1-CB 3.78Å; Y111-K126 HydrophobicContact CE1-CB 3.73Å; Y111-K126 HydrophobicContact CE1-CD 4.25Å; Y111-K126 HydrophobicContact CG-CB 4.46Å
127	S	96.7	Very high	88.1	Confident	7 Å²	7	64 Å²	64	5%	0.049	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.4	172.9	-165.1	0	0	0	0	110.5	K109 V110 K155	K109-S127 CarbonylContact C-O 3.45Å; K109-S127 WeakPolarHBondContact CA-O 3.45Å; V110-S127 PolarHBondContact N-O 2.89Å; V110-S127 PolarHBondContact O-N 2.85Å; S127-K155 WeakPolarHBondContact CB-O 3.12Å; S127-K155 PolarHBondContact OG-N 3.28Å; S127-K155 VanDerWaalsContact OG-N 3.1Å; S127-K155 PolarHBondContact OG-O 3.36Å
128	K	96.8	Very high	87.5	Confident	104 Å²	104	68.8 Å²	68.8	45%	0.452	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	147	174.8	-68.8	-176.1	-179.4	179.4	0	109	K109 K154	K109-K128 HydrophobicContact CG-CG 4.34Å; K128-K154 HydrophobicContact CB-CD 4.12Å; K128-K154 HydrophobicContact CB-CG 4.37Å; K128-K154 PolarHBondContact O-N 3.12Å
129	A	97.6	Very high	86.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.9	169.5	0	0	0	0	0	110.3	P105 Y108 I132 V151	P105-A129 HydrophobicContact CB-CB 4.12Å; P105-A129 WeakPolarHBondContact O-CB 3.17Å; Y108-A129 PolarHBondContact O-N 3.38Å; Y108-A129 VanDerWaalsContact O-N 3.11Å; A129-I132 HydrophobicContact CB-CD1 4.49Å; A129-I132 HydrophobicContact CB-CG1 4.35Å; A129-V151 HydrophobicContact CB-CG1 3.7Å
130	R	97.2	Very high	86.2	Confident	112 Å²	112	65.2 Å²	65.2	42%	0.423	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-51.9	173	-178.7	-174.2	174.8	-178.9	6.1	109.9	P105 T152 K154 S291 G293	P105-R130 WeakPolarHBondContact CB-O 3.49Å; R130-T152 WeakPolarHBondContact CA-O 3.28Å; R130-T152 WeakPolarHBondContact CB-O 3.27Å; R130-T152 PolarHBondContact N-O 3Å; R130-K154 HydrophobicContact CB-CG 3.76Å; R130-K154 HydrophobicContact CG-CG 4.41Å; R130-S291 PolarHBondContact NE-O 2.57Å; R130-G293 VanDerWaalsContact NH2-CA 3.3Å
131	A	97.7	Very high	86.3	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155	-179.3	0	0	0	0	0	109.7	T152 L289 T292	A131-T152 PolarHBondContact N-O 3.46Å; A131-T152 PolarHBondContact O-N 3.35Å; A131-L289 CarbonylContact C-O 3.52Å; A131-L289 VanDerWaalsContact CA-O 3.25Å; A131-L289 WeakPolarHBondContact CA-O 3.19Å; A131-T292 HydrophobicContact CB-CG2 3.76Å
132	I	97.1	Very high	86.4	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.6	178.4	-54.5	163.5	0	0	0	107	F94 P105 Y108 A129 I134 A149 L150 V151 L289	F94-I132 HydrophobicContact CB-CD1 4.41Å; F94-I132 HydrophobicContact CD1-CD1 3.47Å; F94-I132 VanDerWaalsContact CD1-CD1 3.47Å; F94-I132 HydrophobicContact CD2-CD1 4.19Å; F94-I132 HydrophobicContact CD2-CG2 3.54Å; F94-I132 HydrophobicContact CE1-CD1 3.66Å; F94-I132 HydrophobicContact CE1-CG1 4.43Å; F94-I132 HydrophobicContact CE2-CD1 4.34Å; F94-I132 HydrophobicContact CE2-CG2 3.57Å; F94-I132 HydrophobicContact CG-CD1 3.75Å; F94-I132 HydrophobicContact CG-CG2 4.15Å; F94-I132 HydrophobicContact CZ-CD1 4.1Å; F94-I132 HydrophobicContact CZ-CG1 4.43Å; F94-I132 HydrophobicContact CZ-CG2 4.23Å; P105-I132 HydrophobicContact CB-CD1 4.06Å; P105-I132 HydrophobicContact CB-CG1 4.22Å; P105-I132 HydrophobicContact CG-CD1 4.07Å; P105-I132 HydrophobicContact CG-CG1 4.19Å; Y108-I132 HydrophobicContact CD2-CD1 4.12Å; A129-I132 HydrophobicContact CB-CD1 4.49Å; A129-I132 HydrophobicContact CB-CG1 4.35Å; I132-I134 HydrophobicContact CG2-CD1 4.15Å; I132-I134 HydrophobicContact CG2-CG1 3.87Å; I132-A149 HydrophobicContact CG2-CB 4.38Å; I132-L150 WeakPolarHBondContact CA-O 3.17Å; I132-V151 HydrophobicContact CG1-CG1 4.41Å; I132-V151 HydrophobicContact CG1-CG2 4.43Å; I132-V151 HydrophobicContact CG2-CG2 4.44Å; I132-L289 HydrophobicContact CB-CB 4.2Å; I132-L289 HydrophobicContact CB-CD1 4.4Å; I132-L289 HydrophobicContact CD1-CD1 4.44Å; I132-L289 PolarHBondContact N-O 3.17Å; I132-L289 PolarHBondContact O-N 3.38Å
133	R	95.4	Very high	86.5	Confident	73 Å²	73	59 Å²	59	28%	0.275	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.6	171.9	-178.3	-175.1	174.8	99.4	-2.8	108.1	A149 L150 E277 V286	R133-A149 CarbonylContact O-C 3.45Å; R133-A149 WeakPolarHBondContact O-CA 3.44Å; R133-L150 PolarHBondContact N-O 2.79Å; R133-L150 PolarHBondContact O-N 3.31Å; R133-E277 PolarHBondContact NH2-O 2.74Å; R133-V286 HydrophobicContact CG-CG1 3.75Å
134	I	94.4	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.7	-178.4	-60.7	159.2	0	0	0	108.8	F94 W102 I132 P136 N146 A149 I287 L289	F94-I134 HydrophobicContact CD2-CD1 4.4Å; W102-I134 HydrophobicContact CD2-CD1 4.48Å; W102-I134 HydrophobicContact CE3-CD1 3.68Å; W102-I134 HydrophobicContact CH2-CD1 3.95Å; W102-I134 HydrophobicContact CH2-CG2 4.36Å; W102-I134 HydrophobicContact CZ3-CD1 3.38Å; I132-I134 HydrophobicContact CG2-CD1 4.15Å; I132-I134 HydrophobicContact CG2-CG1 3.87Å; I134-P136 WeakPolarHBondContact O-CD 3.33Å; I134-N146 WeakPolarHBondContact CG2-O 3.22Å; I134-A149 HydrophobicContact CG1-CB 3.81Å; I134-I287 HydrophobicContact CB-CB 4.15Å; I134-I287 HydrophobicContact CD1-CG2 4.43Å; I134-I287 PolarHBondContact N-O 3.11Å; I134-I287 PolarHBondContact O-N 2.63Å; I134-L289 HydrophobicContact CD1-CD1 3.94Å
135	M	92.4	Very high	86.5	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.025	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	94.2	-179.6	-63.8	-62.7	-58.5	0	0	108.2	G147 V148 T274 E277 V286	M135-G147 VanDerWaalsContact O-CA 3.3Å; M135-G147 WeakPolarHBondContact O-CA 3.41Å; M135-V148 PolarHBondContact N-O 3.03Å; M135-V148 PolarHBondContact O-N 3.4Å; M135-V148 VanDerWaalsContact O-N 3.13Å; M135-T274 VanDerWaalsContact CB-O 3.25Å; M135-T274 WeakPolarHBondContact CB-O 3.19Å; M135-T274 WeakPolarHBondContact CG-O 3.24Å; M135-E277 HydrophobicContact CE-CB 3.87Å; M135-E277 WeakPolarHBondContact CE-O 3.25Å; M135-V286 HydrophobicContact CE-CG2 3.83Å; M135-V286 HydrophobicContact SD-CB 4.01Å; M135-V286 HydrophobicContact SD-CG1 3.6Å; M135-V286 HydrophobicContact SD-CG2 3.4Å; M135-V286 WeakPolarHBondContact SD-CG2 3.33Å
136	P	89.8	Confident	86.3	Confident	5 Å²	5	49 Å²	49	3%	0.032	23%	0.232	C	C	.	.			trans	-76.1	161.2	-175.6	31.2	-35.7	0	0	0	113.1	I134 W145 S280 N285	I134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-W145 VanDerWaalsContact CA-O 3.27Å; P136-W145 WeakPolarHBondContact CA-O 3.43Å; P136-W145 WeakPolarHBondContact CB-O 3.25Å; P136-S280 PolarHBondContact O-OG 3.37Å; P136-N285 WeakPolarHBondContact CG-O 3.24Å
137	Y	85.2	Confident	86.2	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.012	20%	0.2	C	C	.	.			trans	-110	148.8	168.9	-66	-62.7	0	0	0	110.5	T139 I144 W145 T215 L250 F268 G270 H271 T274	Y137-T139 PolarHBondContact O-N 3.02Å; Y137-I144 HydrophobicContact CD2-CG2 3.93Å; Y137-I144 WeakPolarHBondContact CD2-O 3.35Å; Y137-W145 PolarHBondContact N-O 3.37Å; Y137-W145 VanDerWaalsContact O-CA 3.32Å; Y137-W145 WeakPolarHBondContact O-CA 3.18Å; Y137-T215 HydrophobicContact CD1-CG2 3.8Å; Y137-T215 HydrophobicContact CE1-CG2 4.15Å; Y137-T215 HydrophobicContact CG-CG2 4.17Å; Y137-L250 HydrophobicContact CD2-CD1 4.02Å; Y137-L250 HydrophobicContact CE2-CD1 3.6Å; Y137-F268 HydrophobicContact CD2-CE1 4.41Å; Y137-F268 AromaticContact CE2-CE1 3.99Å; Y137-F268 HydrophobicContact CE2-CE1 3.99Å; Y137-F268 HydrophobicContact CE2-CZ 4.37Å; Y137-G270 WeakPolarHBondContact OH-CA 3.27Å; Y137-H271 PolarHBondContact OH-N 2.88Å; Y137-T274 HydrophobicContact CE1-CG2 4.05Å; Y137-T274 VanDerWaalsContact OH-CG2 3.32Å; Y137-T274 WeakPolarHBondContact OH-CG2 3.28Å
138	D	72.8	Confident	86.2	Confident	102 Å²	102	41.3 Å²	41.3	55%	0.545	20%	0.198	S	C	.	.			trans	-87.4	85	167.9	-169.9	22.5	0	0	0	110.2	T282	D138-T282 VanDerWaalsContact CB-CB 3.49Å; D138-T282 HydrophobicContact CB-CG2 4.24Å; D138-T282 WeakPolarHBondContact CB-OG1 3.31Å; D138-T282 PolarHBondContact N-OG1 3.03Å
139	T	69.2	Low	86.2	Confident	16 Å²	16	36.4 Å²	36.4	10%	0.098	18%	0.176	C	C	.	.			trans	-137.9	159.9	-176.1	62.4	0	0	0	0	112.1	Y137 N141 I144 W145 L212 T215	Y137-T139 PolarHBondContact O-N 3.02Å; T139-N141 VanDerWaalsContact C-N 3.28Å; T139-N141 PolarHBondContact O-N 3.11Å; T139-I144 HydrophobicContact CG2-CG2 3.9Å; T139-I144 WeakPolarHBondContact OG1-CB 3.21Å; T139-I144 WeakPolarHBondContact OG1-CG2 3.22Å; T139-W145 PolarHBondContact OG1-N 3.18Å; T139-L212 HydrophobicContact CG2-CD2 4.11Å; T139-T215 HydrophobicContact CG2-CG2 3.95Å
140	V	61.7	Low	86.1	Confident	130 Å²	130	37.4 Å²	37.4	79%	0.788	18%	0.182	S	C	*	.	S	Bend	trans	-67.6	-21.4	-173.8	-171.2	0	0	0	0	113.8	E211	V140-E211 HydrophobicContact CG2-CG 4.27Å
141	N	72	Confident	86.2	Confident	58 Å²	58	32.1 Å²	32.1	31%	0.31	16%	0.162	S	C	.	.	S	Bend	trans	-99.5	125	-175.6	-177	-35.8	0	0	0	111.3	T139 N143 I144 W145 S251	T139-N141 VanDerWaalsContact C-N 3.28Å; T139-N141 PolarHBondContact O-N 3.11Å; N141-N143 PolarHBondContact O-N 3.27Å; N141-N143 VanDerWaalsContact O-N 3.11Å; N141-N143 WeakPolarHBondContact OD1-CB 3.49Å; N141-N143 PolarHBondContact OD1-N 3.19Å; N141-I144 HydrophobicContact CB-CB 4.23Å; N141-I144 HydrophobicContact CB-CD1 3.98Å; N141-I144 HydrophobicContact CB-CG1 3.99Å; N141-I144 PolarHBondContact O-N 3.19Å; N141-W145 WeakPolarHBondContact O-CB 3.26Å; N141-W145 PolarHBondContact O-N 2.76Å; N141-S251 PolarHBondContact ND2-OG 3.45Å
142	E	71	Confident	86.2	Confident	96 Å²	96	33.3 Å²	33.3	45%	0.449	17%	0.169	S	C	.	.	H	α-helix	trans	-53.7	-34.6	-179.8	-66	-165.5	158.2	0	0	113.9	K100 N146	K100-E142 WeakPolarHBondContact CE-OE1 3.27Å; K100-E142 IonicContact NZ-OE1 2.78Å; K100-E142 PolarHBondContact NZ-OE1 2.8Å; E142-N146 PolarHBondContact O-N 2.82Å; E142-N146 PolarHBondContact O-ND2 3.29Å
143	N	75.7	Confident	86.2	Confident	73 Å²	73	33.7 Å²	33.7	39%	0.39	17%	0.171	S	C	.	.	H	α-helix	trans	-73.3	-35.9	179.7	-73	-26.1	0	0	0	112.7	S92 N141	S92-N143 WeakPolarHBondContact OG-CA 3.45Å; S92-N143 PolarHBondContact OG-O 2.97Å; N141-N143 PolarHBondContact O-N 3.27Å; N141-N143 VanDerWaalsContact O-N 3.11Å; N141-N143 WeakPolarHBondContact OD1-CB 3.49Å; N141-N143 PolarHBondContact OD1-N 3.19Å
144	I	81.5	Confident	86.3	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-76.3	-39.3	176.2	-56.5	179.3	0	0	0	109.1	Y137 T139 N141 N146 G147 L212 S251 L253 F268	Y137-I144 HydrophobicContact CD2-CG2 3.93Å; Y137-I144 WeakPolarHBondContact CD2-O 3.35Å; T139-I144 HydrophobicContact CG2-CG2 3.9Å; T139-I144 WeakPolarHBondContact OG1-CB 3.21Å; T139-I144 WeakPolarHBondContact OG1-CG2 3.22Å; N141-I144 HydrophobicContact CB-CB 4.23Å; N141-I144 HydrophobicContact CB-CD1 3.98Å; N141-I144 HydrophobicContact CB-CG1 3.99Å; N141-I144 PolarHBondContact O-N 3.19Å; I144-N146 VanDerWaalsContact C-N 3.25Å; I144-N146 PolarHBondContact O-N 3.13Å; I144-G147 WeakPolarHBondContact O-CA 3.13Å; I144-G147 PolarHBondContact O-N 3Å; I144-L212 HydrophobicContact CD1-CD2 4.1Å; I144-L212 HydrophobicContact CG2-CD2 4.3Å; I144-S251 VanDerWaalsContact CG1-CB 3.44Å; I144-L253 HydrophobicContact CD1-CD2 3.66Å; I144-F268 HydrophobicContact CD1-CB 4.34Å; I144-F268 HydrophobicContact CD1-CD1 4.11Å; I144-F268 HydrophobicContact CD1-CG 4.17Å; I144-F268 HydrophobicContact CG1-CD1 4.1Å; I144-F268 HydrophobicContact CG2-CD1 3.95Å; I144-F268 HydrophobicContact CG2-CE1 3.65Å; I144-F268 HydrophobicContact CG2-CZ 4.31Å
145	W	84.1	Confident	86.4	Confident	82 Å²	82	42.9 Å²	42.9	31%	0.311	21%	0.213	S	C	.	.	H	α-helix	trans	-54.2	-39.6	179.7	-179.1	79.5	0	0	0	113.1	R95 W102 P136 Y137 T139 N141 G147	R95-W145 VanDerWaalsContact CZ-CZ3 3.45Å; W102-W145 HydrophobicContact CZ2-CZ3 4.36Å; P136-W145 VanDerWaalsContact CA-O 3.27Å; P136-W145 WeakPolarHBondContact CA-O 3.43Å; P136-W145 WeakPolarHBondContact CB-O 3.25Å; Y137-W145 PolarHBondContact N-O 3.37Å; Y137-W145 VanDerWaalsContact O-CA 3.32Å; Y137-W145 WeakPolarHBondContact O-CA 3.18Å; T139-W145 PolarHBondContact OG1-N 3.18Å; N141-W145 WeakPolarHBondContact O-CB 3.26Å; N141-W145 PolarHBondContact O-N 2.76Å; W145-G147 PolarHBondContact O-N 2.83Å
146	N	90.3	Very high	86.6	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.027	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.4	177.6	-55.6	-49.7	0	0	0	113.7	G91 S92 R95 W102 I134 E142 I144	G91-N146 WeakPolarHBondContact CA-O 3.42Å; S92-N146 WeakPolarHBondContact OG-CB 3.34Å; S92-N146 PolarHBondContact OG-ND2 2.82Å; R95-N146 WeakPolarHBondContact CD-OD1 3.4Å; R95-N146 PolarHBondContact NH1-OD1 2.88Å; W102-N146 HydrophobicContact CH2-CB 4.13Å; I134-N146 WeakPolarHBondContact CG2-O 3.22Å; E142-N146 PolarHBondContact O-N 2.82Å; E142-N146 PolarHBondContact O-ND2 3.29Å; I144-N146 VanDerWaalsContact C-N 3.25Å; I144-N146 PolarHBondContact O-N 3.13Å
147	G	92.3	Very high	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.			trans	56.6	-150.8	171	0	0	0	0	0	116	G91 M135 I144 W145 L250	G91-G147 PolarHBondContact N-O 3.45Å; M135-G147 VanDerWaalsContact O-CA 3.3Å; M135-G147 WeakPolarHBondContact O-CA 3.41Å; I144-G147 WeakPolarHBondContact O-CA 3.13Å; I144-G147 PolarHBondContact O-N 3Å; W145-G147 PolarHBondContact O-N 2.83Å; G147-L250 VanDerWaalsContact O-CD2 3.25Å; G147-L250 WeakPolarHBondContact O-CD2 3.48Å
148	V	95.5	Very high	87.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.4	-176.1	-174.1	0	0	0	0	110.2	L88 M135 V248 L250 T274 A275	L88-V148 HydrophobicContact CD1-CG1 3.67Å; L88-V148 HydrophobicContact CG-CG1 4.24Å; M135-V148 PolarHBondContact N-O 3.03Å; M135-V148 PolarHBondContact O-N 3.4Å; M135-V148 VanDerWaalsContact O-N 3.13Å; V148-V248 HydrophobicContact CG1-CB 4.26Å; V148-V248 HydrophobicContact CG1-CG2 3.83Å; V148-V248 HydrophobicContact CG2-CB 4.34Å; V148-L250 HydrophobicContact CG2-CD1 4.38Å; V148-T274 WeakPolarHBondContact CG2-OG1 3.1Å; V148-A275 HydrophobicContact CB-CB 4.49Å; V148-A275 HydrophobicContact CG1-CB 3.85Å
149	A	96.4	Very high	88.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.8	-178.5	0	0	0	0	0	112.8	T89 F94 I132 R133 I134	T89-A149 HydrophobicContact CG2-CB 4.11Å; T89-A149 PolarHBondContact N-O 2.61Å; T89-A149 PolarHBondContact O-N 3.04Å; F94-A149 HydrophobicContact CD2-CB 4.3Å; F94-A149 HydrophobicContact CE2-CB 3.94Å; I132-A149 HydrophobicContact CG2-CB 4.38Å; R133-A149 CarbonylContact O-C 3.45Å; R133-A149 WeakPolarHBondContact O-CA 3.44Å; I134-A149 HydrophobicContact CG1-CB 3.81Å
150	L	97.3	Very high	89.7	Confident	22 Å²	22	47.4 Å²	47.4	12%	0.115	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.9	171.2	-176.4	65.9	0	0	0	109.5	I71 L86 L88 I132 R133 F276	I71-L150 HydrophobicContact CD1-CD1 3.76Å; L86-L150 HydrophobicContact CB-CD1 4.25Å; L86-L150 HydrophobicContact CD2-CD1 4.31Å; L86-L150 HydrophobicContact CD2-CD2 4.47Å; L86-L150 HydrophobicContact CD2-CG 4.44Å; L88-L150 HydrophobicContact CD1-CD1 4.5Å; I132-L150 WeakPolarHBondContact CA-O 3.17Å; R133-L150 PolarHBondContact N-O 2.79Å; R133-L150 PolarHBondContact O-N 3.31Å; L150-F276 HydrophobicContact CD1-CE1 4.46Å; L150-F276 HydrophobicContact CD2-CD1 4.43Å; L150-F276 HydrophobicContact CD2-CE1 3.98Å
151	V	98	Very high	91.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.3	179.6	-176.7	0	0	0	0	109.3	L86 V87 T89 F94 A129 I132 L153	L86-V151 WeakPolarHBondContact CA-O 3.13Å; V87-V151 HydrophobicContact CB-CB 4.17Å; V87-V151 PolarHBondContact N-O 2.8Å; V87-V151 PolarHBondContact O-N 3.32Å; T89-V151 HydrophobicContact CG2-CG2 3.87Å; F94-V151 HydrophobicContact CE1-CG2 4.49Å; F94-V151 HydrophobicContact CE2-CG2 3.87Å; F94-V151 HydrophobicContact CZ-CG2 3.46Å; F94-V151 VanDerWaalsContact CZ-CG2 3.46Å; A129-V151 HydrophobicContact CB-CG1 3.7Å; I132-V151 HydrophobicContact CG1-CG1 4.41Å; I132-V151 HydrophobicContact CG1-CG2 4.43Å; I132-V151 HydrophobicContact CG2-CG2 4.44Å; V151-L153 HydrophobicContact CG1-CD2 4.21Å
152	T	97.7	Very high	92.1	Very high	26 Å²	26	49.5 Å²	49.5	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.5	168.3	-49.7	0	0	0	0	109.3	A85 R130 A131	A85-T152 CarbonylContact O-C 3.53Å; A85-T152 WeakPolarHBondContact O-CA 3.46Å; R130-T152 WeakPolarHBondContact CA-O 3.28Å; R130-T152 WeakPolarHBondContact CB-O 3.27Å; R130-T152 PolarHBondContact N-O 3Å; A131-T152 PolarHBondContact N-O 3.46Å; A131-T152 PolarHBondContact O-N 3.35Å
153	L	97.9	Very high	93.3	Very high	7 Å²	7	45 Å²	45	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	150.7	179.9	-60.2	178.5	0	0	0	111.8	A85 V87 V110 V151 K155 F157	A85-L153 HydrophobicContact CB-CB 4.46Å; A85-L153 WeakPolarHBondContact O-CB 3.32Å; A85-L153 WeakPolarHBondContact O-CG 3.4Å; A85-L153 PolarHBondContact O-N 3Å; V87-L153 HydrophobicContact CG2-CD1 4Å; V87-L153 HydrophobicContact CG2-CD2 4.48Å; V87-L153 HydrophobicContact CG2-CG 4.33Å; V110-L153 HydrophobicContact CB-CD2 3.86Å; V110-L153 HydrophobicContact CG1-CD2 4.46Å; V110-L153 HydrophobicContact CG2-CD2 3.61Å; V151-L153 HydrophobicContact CG1-CD2 4.21Å; L153-K155 WeakPolarHBondContact CB-O 3.34Å; L153-F157 HydrophobicContact CD1-CD2 3.49Å; L153-F157 VanDerWaalsContact CD1-CD2 3.49Å; L153-F157 HydrophobicContact CD1-CE2 3.39Å; L153-F157 HydrophobicContact CD1-CG 4.35Å; L153-F157 HydrophobicContact CD1-CZ 4.18Å
154	K	97	Very high	94.2	Very high	108 Å²	108	41.6 Å²	41.6	47%	0.47	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-39.2	172.7	-72.5	-166	-179.3	-165.5	0	112.7	K128 R130	K128-K154 HydrophobicContact CB-CD 4.12Å; K128-K154 HydrophobicContact CB-CG 4.37Å; K128-K154 PolarHBondContact O-N 3.12Å; R130-K154 HydrophobicContact CB-CG 3.76Å; R130-K154 HydrophobicContact CG-CG 4.41Å
155	K	96.8	Very high	94.9	Very high	158 Å²	158	41.4 Å²	41.4	69%	0.687	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	174.3	-63.8	-173.1	177.7	-169.4	0	107.9	S127 L153	S127-K155 WeakPolarHBondContact CB-O 3.12Å; S127-K155 PolarHBondContact OG-N 3.28Å; S127-K155 VanDerWaalsContact OG-N 3.1Å; S127-K155 PolarHBondContact OG-O 3.36Å; L153-K155 WeakPolarHBondContact CB-O 3.34Å
156	P	97	Very high	95.5	Very high	57 Å²	57	37.5 Å²	37.5	37%	0.37	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	154.4	177.1	27.9	-33.6	0	0	0	110.9	Y83 S84 A85	Y83-P156 HydrophobicContact CD2-CB 3.55Å; Y83-P156 HydrophobicContact CD2-CG 3.89Å; Y83-P156 HydrophobicContact CE2-CB 4.31Å; Y83-P156 HydrophobicContact CE2-CG 4.37Å; Y83-P156 HydrophobicContact CG-CB 4.2Å; Y83-P156 HydrophobicContact CG-CG 4.4Å; S84-P156 CarbonylContact O-C 3.56Å; S84-P156 VanDerWaalsContact O-CA 3.3Å; S84-P156 WeakPolarHBondContact O-CA 3.3Å; S84-P156 WeakPolarHBondContact O-CB 3.25Å; A85-P156 HydrophobicContact CB-CB 4.14Å
157	F	97	Very high	95.8	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.9	169.5	-70.7	-52.3	0	0	0	109.9	I70 Y83 S84 V110 A112 K125 L153 I163	I70-F157 HydrophobicContact CD1-CB 4.42Å; I70-F157 HydrophobicContact CD1-CD2 3.92Å; I70-F157 HydrophobicContact CD1-CG 4.46Å; I70-F157 HydrophobicContact CG1-CD2 4.27Å; Y83-F157 CarbonylContact C-O 3.52Å; Y83-F157 WeakPolarHBondContact CA-O 3.46Å; Y83-F157 VanDerWaalsContact CB-O 3.31Å; Y83-F157 WeakPolarHBondContact CB-O 3.17Å; S84-F157 PolarHBondContact N-O 3.36Å; S84-F157 PolarHBondContact O-N 2.98Å; V110-F157 HydrophobicContact CG1-CE2 4.04Å; V110-F157 HydrophobicContact CG1-CZ 4.37Å; A112-F157 HydrophobicContact CB-CD1 4.27Å; A112-F157 HydrophobicContact CB-CD2 4.01Å; A112-F157 HydrophobicContact CB-CE1 4.08Å; A112-F157 HydrophobicContact CB-CE2 3.79Å; A112-F157 HydrophobicContact CB-CG 4.25Å; A112-F157 HydrophobicContact CB-CZ 3.83Å; K125-F157 HydrophobicContact CB-CD1 3.79Å; K125-F157 HydrophobicContact CB-CE1 3.7Å; L153-F157 HydrophobicContact CD1-CD2 3.49Å; L153-F157 VanDerWaalsContact CD1-CD2 3.49Å; L153-F157 HydrophobicContact CD1-CE2 3.39Å; L153-F157 HydrophobicContact CD1-CG 4.35Å; L153-F157 HydrophobicContact CD1-CZ 4.18Å; F157-I163 HydrophobicContact CB-CG2 4.07Å
158	V	95.9	Very high	95.9	Very high	94 Å²	94	40.1 Å²	40.1	57%	0.57	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	130.4	174.8	-177.8	0	0	0	0	109.5	N160	V158-N160 PolarHBondContact O-ND2 2.99Å; V158-N160 VanDerWaalsContact O-ND2 3.07Å
159	F	94.7	Very high	95.8	Very high	19 Å²	19	40.6 Å²	40.6	8%	0.083	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-71.8	141.4	-177.6	-54.4	-30.7	0	0	0	111.8	Y33 I70 K81 N82 I163 P165	Y33-F159 HydrophobicContact CD1-CB 3.6Å; Y33-F159 HydrophobicContact CD1-CD2 4.19Å; Y33-F159 HydrophobicContact CD1-CG 4.32Å; Y33-F159 HydrophobicContact CE1-CB 3.9Å; Y33-F159 AromaticContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CD2 3.56Å; Y33-F159 HydrophobicContact CE1-CG 4.15Å; Y33-F159 HydrophobicContact CG-CB 4.11Å; Y33-F159 AromaticContact CZ-CD2 3.8Å; I70-F159 HydrophobicContact CG2-CE1 3.99Å; K81-F159 VanDerWaalsContact O-CE2 3.26Å; K81-F159 WeakPolarHBondContact O-CE2 3.3Å; N82-F159 WeakPolarHBondContact O-CG 3.04Å; N82-F159 PolarHBondContact O-N 3.16Å; F159-I163 CarbonylContact C-O 3.58Å; F159-I163 WeakPolarHBondContact CA-O 3.33Å; F159-I163 WeakPolarHBondContact CB-O 3.44Å; F159-I163 HydrophobicContact CD1-CG2 4.41Å; F159-P165 HydrophobicContact CD2-CG 4.32Å; F159-P165 HydrophobicContact CE1-CB 4.3Å; F159-P165 HydrophobicContact CE1-CG 4.13Å; F159-P165 HydrophobicContact CE2-CG 3.67Å; F159-P165 HydrophobicContact CZ-CB 3.94Å; F159-P165 HydrophobicContact CZ-CG 3.55Å
160	N	93.8	Very high	95.4	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-162.8	-174	-178.1	61.5	71.2	0	0	0	109.5	Y33 V158 H162 I163	Y33-N160 CarbonylContact O-C 3.58Å; V158-N160 PolarHBondContact O-ND2 2.99Å; V158-N160 VanDerWaalsContact O-ND2 3.07Å; N160-H162 PolarHBondContact O-N 2.86Å; N160-H162 PolarHBondContact OD1-N 2.73Å; N160-I163 PolarHBondContact N-O 2.99Å; N160-I163 CarbonylContact O-C 3.51Å; N160-I163 PolarHBondContact O-N 3.17Å; N160-I163 PolarHBondContact OD1-N 3.39Å
161	K	92.2	Very high	95	Very high	126 Å²	126	49.6 Å²	49.6	55%	0.548	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-20.7	-179.6	64.7	174.3	174.4	175.3	0	116.3	Y33 G34 G35	Y33-K161 PolarHBondContact O-N 2.75Å; Y33-K161 VanDerWaalsContact O-N 3.16Å; G34-K161 WeakPolarHBondContact O-CB 3.34Å; G35-K161 WeakPolarHBondContact CA-O 3.42Å
162	H	92.5	Very high	94.5	Very high	105 Å²	105	52.8 Å²	52.8	49%	0.486	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-8.5	179.2	-51	114.9	0	0	0	114.1	P52 G113 N160	P52-H162 WeakPolarHBondContact CA-O 3.12Å; P52-H162 WeakPolarHBondContact CB-O 3.47Å; G113-H162 WeakPolarHBondContact CA-O 3.46Å; N160-H162 PolarHBondContact O-N 2.86Å; N160-H162 PolarHBondContact OD1-N 2.73Å
163	I	95.5	Very high	94.2	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-137.1	117	-174.9	-58	-179.5	0	0	0	108.9	P52 I70 A112 K125 F157 F159 N160	P52-I163 WeakPolarHBondContact O-CA 3.08Å; I70-I163 HydrophobicContact CD1-CG2 3.55Å; A112-I163 HydrophobicContact CB-CD1 3.98Å; A112-I163 HydrophobicContact CB-CG1 4.3Å; K125-I163 HydrophobicContact CB-CD1 3.84Å; K125-I163 HydrophobicContact CG-CD1 3.61Å; F157-I163 HydrophobicContact CB-CG2 4.07Å; F159-I163 CarbonylContact C-O 3.58Å; F159-I163 WeakPolarHBondContact CA-O 3.33Å; F159-I163 WeakPolarHBondContact CB-O 3.44Å; F159-I163 HydrophobicContact CD1-CG2 4.41Å; N160-I163 PolarHBondContact N-O 2.99Å; N160-I163 CarbonylContact O-C 3.51Å; N160-I163 PolarHBondContact O-N 3.17Å; N160-I163 PolarHBondContact OD1-N 3.39Å
164	S	95.2	Very high	93.9	Very high	1 Å²	1	55 Å²	55	1%	0.007	29%	0.286	C	S	.	.			trans	-156.9	151.9	177.4	64.9	0	0	0	0	110.4	Y33 P52 W53	Y33-S164 VanDerWaalsContact CD2-CB 3.49Å; P52-S164 CarbonylContact C-O 3.56Å; P52-S164 WeakPolarHBondContact CB-OG 3.47Å; P52-S164 WeakPolarHBondContact CG-OG 3.28Å; P52-S164 PolarHBondContact O-N 2.89Å; W53-S164 WeakPolarHBondContact CA-O 3.08Å; W53-S164 VanDerWaalsContact CB-O 3.29Å; W53-S164 WeakPolarHBondContact CB-O 3.42Å; W53-S164 PolarHBondContact N-O 2.87Å
165	P	96.5	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-80.6	152.3	-173.8	33.5	-34.2	0	0	0	112.5	C27 G28 I70 P72 F159	C27-P165 HydrophobicContact CB-CG 4.26Å; G28-P165 PolarHBondContact N-O 3.13Å; I70-P165 HydrophobicContact CG2-CB 4.28Å; I70-P165 WeakPolarHBondContact O-CA 3.24Å; P72-P165 HydrophobicContact CG-CB 4.11Å; P72-P165 HydrophobicContact CG-CG 4.42Å; F159-P165 HydrophobicContact CD2-CG 4.32Å; F159-P165 HydrophobicContact CE1-CB 4.3Å; F159-P165 HydrophobicContact CE1-CG 4.13Å; F159-P165 HydrophobicContact CE2-CG 3.67Å; F159-P165 HydrophobicContact CZ-CB 3.94Å; F159-P165 HydrophobicContact CZ-CG 3.55Å
166	V	96.4	Very high	92.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-88.3	148.9	166.4	68.7	0	0	0	0	110	W53 I70 I71 P72 V236 A243 Q245	W53-V166 HydrophobicContact CB-CB 4.03Å; W53-V166 HydrophobicContact CB-CG1 4.37Å; W53-V166 HydrophobicContact CD2-CB 3.71Å; W53-V166 HydrophobicContact CD2-CG2 4.16Å; W53-V166 HydrophobicContact CE3-CB 4.03Å; W53-V166 HydrophobicContact CE3-CG2 4.47Å; W53-V166 HydrophobicContact CG-CB 3.72Å; W53-V166 HydrophobicContact CG-CG1 4.32Å; W53-V166 HydrophobicContact CG-CG2 4.5Å; W53-V166 HydrophobicContact CZ2-CG2 4.43Å; I70-V166 PolarHBondContact O-N 3.39Å; I71-V166 HydrophobicContact CG2-CG1 4.35Å; P72-V166 VanDerWaalsContact CD-O 3.3Å; P72-V166 WeakPolarHBondContact CD-O 3.14Å; V166-V236 HydrophobicContact CG2-CG1 4.06Å; V166-V236 HydrophobicContact CG2-CG2 4.11Å; V166-A243 HydrophobicContact CG2-CB 4.21Å; V166-Q245 HydrophobicContact CG1-CB 3.77Å; V166-Q245 VanDerWaalsContact CG1-OE1 3.32Å; V166-Q245 HydrophobicContact CG2-CB 4.03Å
167	C	95.4	Very high	91.7	Very high	4 Å²	4	46 Å²	46	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	151.2	171.9	-61.4	0	0	0	0	110.8	C27 A243 H244 Q245	C27-C167 HydrophobicContact CB-CB 4.07Å; C27-C167 WeakPolarHBondContact CB-SG 3.23Å; C27-C167 PolarHBondContact O-SG 2.92Å; C27-C167 WeakPolarHBondContact SG-CA 3.3Å; C27-C167 WeakPolarHBondContact SG-CB 3.33Å; C27-C167 CovalentContact SG-SG 2.05Å; C27-C167 PolarHBondContact SG-SG 3.26Å; C167-A243 WeakPolarHBondContact CB-O 3.38Å; C167-A243 PolarHBondContact N-O 2.89Å; C167-H244 CarbonylContact O-C 3.56Å; C167-H244 WeakPolarHBondContact O-CA 3.49Å; C167-Q245 PolarHBondContact O-N 3.16Å
168	L	95.1	Very high	90.5	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.288	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.7	168.1	-67	177.6	0	0	0	109.6	I71 L88 V272 F276	I71-L168 HydrophobicContact CB-CD2 4.37Å; I71-L168 HydrophobicContact CB-CG 4.43Å; I71-L168 HydrophobicContact CD1-CD1 4.18Å; I71-L168 HydrophobicContact CG2-CD2 3.71Å; I71-L168 HydrophobicContact CG2-CG 4.28Å; L88-L168 HydrophobicContact CD2-CD2 4.15Å; L168-V272 HydrophobicContact CD2-CB 4.05Å; L168-V272 HydrophobicContact CD2-CG1 4.05Å; L168-V272 HydrophobicContact CD2-CG2 4.37Å; L168-F276 HydrophobicContact CD1-CE2 3.59Å; L168-F276 HydrophobicContact CD1-CZ 3.6Å
169	A	93.7	Very high	89.8	Confident	11 Å²	11	48 Å²	48	9%	0.091	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.1	154.1	167.6	0	0	0	0	0	110.5	A173 Q245 F246 V272	A169-A173 HydrophobicContact CB-CB 4.28Å; A169-Q245 WeakPolarHBondContact CB-O 3.39Å; A169-Q245 PolarHBondContact N-O 2.86Å; A169-F246 HydrophobicContact CB-CB 4.44Å; A169-F246 HydrophobicContact CB-CD1 3.41Å; A169-F246 VanDerWaalsContact CB-CD1 3.41Å; A169-F246 HydrophobicContact CB-CD2 4.2Å; A169-F246 HydrophobicContact CB-CE1 3.53Å; A169-F246 HydrophobicContact CB-CE2 4.28Å; A169-F246 HydrophobicContact CB-CG 3.77Å; A169-F246 HydrophobicContact CB-CZ 3.96Å; A169-V272 HydrophobicContact CB-CG2 4.3Å
170	G	88.6	Confident	89.4	Confident	47 Å²	47	49.2 Å²	49.2	49%	0.485	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60.5	171.4	174	0	0	0	0	0	112.6	Y172 A173 H271	G170-Y172 PolarHBondContact O-N 3Å; G170-Y172 VanDerWaalsContact O-N 3.1Å; G170-A173 VanDerWaalsContact O-CB 3.31Å; G170-A173 WeakPolarHBondContact O-CB 3.41Å; G170-A173 PolarHBondContact O-N 3.15Å; G170-H271 PolarHBondContact O-CE1 3.13Å
171	E	87.6	Confident	89.3	Confident	163 Å²	163	46.9 Å²	46.9	76%	0.762	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	117.6	-177.8	-174.4	174.7	179.8	0	0	111.9	A173 S273	E171-A173 PolarHBondContact O-N 3.24Å; E171-S273 WeakPolarHBondContact CA-OG 3.49Å
172	Y	87.1	Confident	89.2	Confident	68 Å²	68	40.9 Å²	40.9	27%	0.267	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	25.7	-176.8	-67.3	-71.5	0	0	0	114.8	G170 H271 S273 T274 E277	G170-Y172 PolarHBondContact O-N 3Å; G170-Y172 VanDerWaalsContact O-N 3.1Å; Y172-H271 WeakPolarHBondContact CA-CE1 3.38Å; Y172-H271 HydrophobicContact CD1-CB 4.09Å; Y172-H271 AromaticContact CD1-CG 3.87Å; Y172-H271 AromaticContact CD1-ND1 3.9Å; Y172-H271 HydrophobicContact CE1-CB 4.13Å; Y172-H271 PolarHBondContact N-CE1 2.66Å; Y172-S273 PolarHBondContact N-OG 2.86Å; Y172-S273 VanDerWaalsContact N-OG 3.14Å; Y172-T274 HydrophobicContact CE1-CG2 4.17Å; Y172-E277 WeakPolarHBondContact CE2-OE1 3.35Å; Y172-E277 VanDerWaalsContact CZ-OE1 3.31Å; Y172-E277 PolarHBondContact OH-OE1 2.99Å; Y172-E277 PolarHBondContact OH-OE2 2.04Å
173	A	92.1	Very high	89.2	Confident	33 Å²	33	35.9 Å²	35.9	27%	0.273	21%	0.208	S	C	.	.			trans	-65.5	148.3	179.7	0	0	0	0	0	110	A169 G170 E171 F246 H271	A169-A173 HydrophobicContact CB-CB 4.28Å; G170-A173 VanDerWaalsContact O-CB 3.31Å; G170-A173 WeakPolarHBondContact O-CB 3.41Å; G170-A173 PolarHBondContact O-N 3.15Å; E171-A173 PolarHBondContact O-N 3.24Å; A173-F246 HydrophobicContact CB-CE1 4.06Å; A173-F246 VanDerWaalsContact O-CD1 3.24Å; A173-F246 WeakPolarHBondContact O-CD1 3.33Å; A173-H271 PolarHBondContact N-NE2 2.68Å; A173-H271 PolarHBondContact O-NE2 3.16Å
174	V	91.1	Very high	89	Confident	45 Å²	45	35.8 Å²	35.8	27%	0.273	21%	0.208	S	C	.	.			trans	-118.7	134.2	-174.1	-174.4	0	0	0	0	109.1	G201 S202 V203 L218 R549	V174-G201 WeakPolarHBondContact CG1-O 3.45Å; V174-S202 VanDerWaalsContact CG1-CB 3.41Å; V174-V203 HydrophobicContact CG1-CG2 4.25Å; V174-V203 HydrophobicContact CG2-CG2 3.84Å; V174-L218 HydrophobicContact CG1-CD2 4.37Å; V174-R549 VanDerWaalsContact CG1-NH2 3.31Å
175	P	89.3	Confident	88.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.212	C	C	.	.			trans	-56.8	139.5	178	-21.3	29.4	0	0	0	111.3	S179 M198 S202 C237 F246	P175-S179 WeakPolarHBondContact CB-OG 3.29Å; P175-M198 HydrophobicContact CG-CE 4.44Å; P175-S202 PolarHBondContact O-OG 2.64Å; P175-C237 HydrophobicContact CB-CB 4.32Å; P175-F246 HydrophobicContact CB-CD2 4.48Å; P175-F246 HydrophobicContact CB-CE1 4.49Å; P175-F246 HydrophobicContact CB-CE2 4.38Å; P175-F246 HydrophobicContact CB-CZ 4.38Å; P175-F246 VanDerWaalsContact CD-CD1 3.44Å; P175-F246 HydrophobicContact CG-CB 4.08Å; P175-F246 HydrophobicContact CG-CD1 3.68Å; P175-F246 HydrophobicContact CG-CD2 3.85Å; P175-F246 HydrophobicContact CG-CE1 4.01Å; P175-F246 HydrophobicContact CG-CE2 4.18Å; P175-F246 HydrophobicContact CG-CG 3.59Å; P175-F246 HydrophobicContact CG-CZ 4.25Å
176	P	84	Confident	88.5	Confident	58 Å²	58	38 Å²	38	38%	0.377	22%	0.218	S	C	.	.			trans	-57.9	149	170.8	-23.2	32.4	0	0	0	112.1	T178 S179	P176-T178 PolarHBondContact O-N 2.93Å; P176-T178 VanDerWaalsContact O-N 3.13Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.2Å; P176-S179 PolarHBondContact O-N 3.13Å; P176-S179 PolarHBondContact O-OG 3.02Å
177	D	71.3	Confident	88	Confident	78 Å²	78	42.2 Å²	42.2	42%	0.417	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	-176.6	-68.9	-27	0	0	0	113.7	R549	D177-R549 IonicContact OD1-NE 2.68Å; D177-R549 WeakPolarHBondContact OD2-CD 3.35Å
178	T	71.8	Confident	87.5	Confident	121 Å²	121	50.2 Å²	50.2	74%	0.742	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.1	177.6	55.6	0	0	0	0	113.6	P176	P176-T178 PolarHBondContact O-N 2.93Å; P176-T178 VanDerWaalsContact O-N 3.13Å
179	S	81.7	Confident	87	Confident	21 Å²	21	53.8 Å²	53.8	15%	0.147	28%	0.281	C	S	.	.			trans	-67.7	143	-175.9	64.7	0	0	0	0	111.8	P175 P176 C181	P175-S179 WeakPolarHBondContact CB-OG 3.29Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.2Å; P176-S179 PolarHBondContact O-N 3.13Å; P176-S179 PolarHBondContact O-OG 3.02Å; S179-C181 PolarHBondContact OG-SG 3.27Å; S179-C181 VanDerWaalsContact OG-SG 3.37Å
180	F	86.3	Confident	86.8	Confident	44 Å²	44	56.2 Å²	56.2	19%	0.193	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.1	174.1	-175.8	-98.4	0	0	0	108.9	L42 F182 V195 C237 L238 V610	L42-F180 HydrophobicContact CD1-CD1 3.94Å; L42-F180 HydrophobicContact CD1-CE1 3.52Å; L42-F180 HydrophobicContact CD2-CE1 4.03Å; L42-F180 HydrophobicContact CG-CE1 4.26Å; F180-F182 AromaticContact CD1-CD1 3.9Å; F180-F182 HydrophobicContact CD1-CD1 3.9Å; F180-F182 HydrophobicContact CD1-CE1 4.25Å; F180-F182 AromaticContact CE1-CD1 3.75Å; F180-F182 HydrophobicContact CE1-CD1 3.75Å; F180-F182 HydrophobicContact CE1-CE1 4.34Å; F180-V195 HydrophobicContact CD2-CG1 4.32Å; F180-V195 HydrophobicContact CE1-CG2 4.31Å; F180-V195 HydrophobicContact CE2-CB 4.44Å; F180-V195 HydrophobicContact CE2-CG1 3.52Å; F180-V195 HydrophobicContact CE2-CG2 4.01Å; F180-V195 HydrophobicContact CZ-CB 4.25Å; F180-V195 HydrophobicContact CZ-CG1 3.77Å; F180-V195 HydrophobicContact CZ-CG2 3.44Å; F180-V195 VanDerWaalsContact CZ-CG2 3.44Å; F180-C237 WeakPolarHBondContact O-CA 3.39Å; F180-L238 HydrophobicContact CD1-CD1 4.06Å; F180-L238 HydrophobicContact CD1-CG 4.34Å; F180-L238 PolarHBondContact O-N 2.94Å; F180-V610 HydrophobicContact CE2-CG2 4.42Å
181	C	91.2	Very high	86.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	149	-177.8	-58.3	0	0	0	0	111.8	S179 V196 M198 L235 V236 C237	S179-C181 PolarHBondContact OG-SG 3.27Å; S179-C181 VanDerWaalsContact OG-SG 3.37Å; C181-V196 HydrophobicContact CB-CG2 3.77Å; C181-V196 PolarHBondContact O-N 3.43Å; C181-M198 HydrophobicContact CB-CG 4.34Å; C181-M198 HydrophobicContact CB-SD 4.18Å; C181-L235 HydrophobicContact CB-CD1 4.25Å; C181-V236 CarbonylContact C-O 3.17Å; C181-V236 WeakPolarHBondContact CA-O 3.47Å; C181-C237 HydrophobicContact CB-CB 4.12Å; C181-C237 WeakPolarHBondContact CB-SG 3.37Å; C181-C237 WeakPolarHBondContact SG-CB 3.31Å; C181-C237 CovalentContact SG-SG 2.04Å; C181-C237 PolarHBondContact SG-SG 3.05Å
182	F	90.3	Very high	86.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.1	175.8	49.2	-92.4	0	0	0	110.6	L42 L51 W53 F180 E194 V236 L238	L42-F182 HydrophobicContact CD1-CD1 4.41Å; L42-F182 HydrophobicContact CD1-CE1 4.02Å; L42-F182 HydrophobicContact CD2-CD1 3.88Å; L42-F182 HydrophobicContact CD2-CE1 3.97Å; L42-F182 HydrophobicContact CD2-CG 4.24Å; L42-F182 HydrophobicContact CD2-CZ 4.44Å; L51-F182 HydrophobicContact CD1-CD2 3.75Å; L51-F182 HydrophobicContact CD1-CE2 3.07Å; L51-F182 HydrophobicContact CD1-CZ 3.75Å; W53-F182 HydrophobicContact CZ2-CE2 4.42Å; W53-F182 HydrophobicContact CZ2-CZ 4.39Å; F180-F182 AromaticContact CD1-CD1 3.9Å; F180-F182 HydrophobicContact CD1-CD1 3.9Å; F180-F182 HydrophobicContact CD1-CE1 4.25Å; F180-F182 AromaticContact CE1-CD1 3.75Å; F180-F182 HydrophobicContact CE1-CD1 3.75Å; F180-F182 HydrophobicContact CE1-CE1 4.34Å; F182-E194 CarbonylContact C-O 3.58Å; F182-E194 WeakPolarHBondContact CA-O 3.13Å; F182-E194 VanDerWaalsContact CB-O 3.24Å; F182-E194 WeakPolarHBondContact CB-O 3.44Å; F182-V236 HydrophobicContact CD2-CB 4.09Å; F182-V236 HydrophobicContact CE1-CG1 4.4Å; F182-V236 HydrophobicContact CE2-CB 3.47Å; F182-V236 VanDerWaalsContact CE2-CB 3.47Å; F182-V236 HydrophobicContact CE2-CG1 3.68Å; F182-V236 HydrophobicContact CE2-CG2 4.25Å; F182-V236 HydrophobicContact CZ-CB 3.81Å; F182-V236 HydrophobicContact CZ-CG1 3.52Å; F182-V236 PolarHBondContact N-O 3.24Å; F182-V236 PolarHBondContact O-N 2.93Å; F182-L238 HydrophobicContact CE1-CD2 3.91Å; F182-L238 HydrophobicContact CE1-CG 4.02Å; F182-L238 HydrophobicContact CZ-CD2 4.16Å
183	V	92.2	Very high	86.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	173.7	69.5	0	0	0	0	109.9	T185 E194 V196 P234 Y269	V183-T185 HydrophobicContact CG1-CG2 4.29Å; V183-E194 HydrophobicContact CG1-CB 4.4Å; V183-E194 PolarHBondContact N-O 2.55Å; V183-E194 PolarHBondContact O-N 2.94Å; V183-V196 HydrophobicContact CB-CG1 4.2Å; V183-V196 HydrophobicContact CG1-CG1 3.68Å; V183-P234 WeakPolarHBondContact CA-O 3.13Å; V183-Y269 HydrophobicContact CB-CE1 4.21Å; V183-Y269 HydrophobicContact CG2-CE1 3.78Å
184	S	92.4	Very high	86.4	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	141.1	172.7	-45.2	0	0	0	0	111.2	T54 L67 D192 E193	T54-S184 PolarHBondContact OG1-OG 2.67Å; L67-S184 VanDerWaalsContact CD1-C 3.42Å; L67-S184 WeakPolarHBondContact CD1-O 3.23Å; S184-D192 CarbonylContact C-O 3.46Å; S184-D192 WeakPolarHBondContact CA-O 3.34Å; S184-E193 WeakPolarHBondContact CA-OE2 3.42Å; S184-E193 WeakPolarHBondContact CB-OE2 3.32Å; S184-E193 PolarHBondContact N-OE2 2.87Å; S184-E193 VanDerWaalsContact OG-CD 3.24Å; S184-E193 PolarHBondContact OG-OE1 2.86Å; S184-E193 PolarHBondContact OG-OE2 3.14Å
185	T	90.1	Very high	86.1	Confident	17 Å²	17	50.3 Å²	50.3	10%	0.104	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	161.8	-178.4	72.7	0	0	0	0	110.3	V183 L191 D192 E194 S230	V183-T185 HydrophobicContact CG1-CG2 4.29Å; T185-L191 WeakPolarHBondContact O-CA 3.48Å; T185-D192 PolarHBondContact N-O 3.36Å; T185-D192 PolarHBondContact O-N 3.03Å; T185-D192 PolarHBondContact OG1-O 2.96Å; T185-E194 HydrophobicContact CG2-CB 3.6Å; T185-S230 WeakPolarHBondContact CG2-OG 3.42Å
186	Y	90.1	Very high	85.9	Confident	32 Å²	32	50.7 Å²	50.7	13%	0.125	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.2	175.5	174.3	-105.1	0	0	0	110	F64 L117 R189 R190 L191 K229	F64-Y186 HydrophobicContact CB-CE1 4.1Å; F64-Y186 AromaticContact CD1-CD1 3.59Å; F64-Y186 HydrophobicContact CD1-CD1 3.59Å; F64-Y186 AromaticContact CD1-CE1 3.62Å; F64-Y186 HydrophobicContact CD1-CE1 3.62Å; F64-Y186 HydrophobicContact CD1-CG 4.32Å; F64-Y186 HydrophobicContact CD2-CD1 4.33Å; F64-Y186 HydrophobicContact CD2-CD2 4.42Å; F64-Y186 HydrophobicContact CD2-CE1 4.26Å; F64-Y186 HydrophobicContact CD2-CE2 4.35Å; F64-Y186 HydrophobicContact CD2-CG 4.39Å; F64-Y186 AromaticContact CE1-CD1 3.52Å; F64-Y186 HydrophobicContact CE1-CD1 3.52Å; F64-Y186 HydrophobicContact CE1-CE1 4.06Å; F64-Y186 AromaticContact CE1-CG 3.96Å; F64-Y186 HydrophobicContact CE1-CG 3.96Å; F64-Y186 HydrophobicContact CE2-CD1 4.26Å; F64-Y186 HydrophobicContact CE2-CD2 4.23Å; F64-Y186 HydrophobicContact CE2-CG 4.03Å; F64-Y186 AromaticContact CG-CD1 4Å; F64-Y186 HydrophobicContact CG-CD1 4Å; F64-Y186 AromaticContact CG-CE1 3.72Å; F64-Y186 HydrophobicContact CG-CE1 3.72Å; F64-Y186 AromaticContact CG-CZ 4Å; F64-Y186 AromaticContact CZ-CD1 3.86Å; F64-Y186 HydrophobicContact CZ-CD1 3.86Å; F64-Y186 HydrophobicContact CZ-CD2 4.44Å; F64-Y186 AromaticContact CZ-CG 3.79Å; F64-Y186 HydrophobicContact CZ-CG 3.79Å; L117-Y186 HydrophobicContact CB-CE2 4.11Å; L117-Y186 HydrophobicContact CD1-CD2 4.19Å; L117-Y186 HydrophobicContact CD1-CE2 3.53Å; L117-Y186 HydrophobicContact CG-CE2 4.24Å; Y186-R189 VanDerWaalsContact CE2-CA 3.42Å; Y186-R189 WeakPolarHBondContact OH-CA 3.3Å; Y186-R190 CarbonylContact C-O 3.59Å; Y186-R190 VanDerWaalsContact CA-O 3.27Å; Y186-R190 WeakPolarHBondContact CA-O 3.08Å; Y186-R190 WeakPolarHBondContact CD2-O 3.35Å; Y186-L191 HydrophobicContact CD2-CD1 4.03Å; Y186-L191 HydrophobicContact CE2-CD1 4.37Å; Y186-K229 WeakPolarHBondContact CB-O 3.5Å; Y186-K229 HydrophobicContact CD1-CB 4.27Å; Y186-K229 PolarHBondContact N-O 3.49Å; Y186-K229 WeakPolarHBondContact O-CB 3.4Å; Y186-K229 WeakPolarHBondContact O-CD 3.24Å; Y186-K229 WeakPolarHBondContact O-CG 3.1Å
187	H	86.5	Confident	85.8	Confident	87 Å²	87	50 Å²	50	40%	0.403	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	131	176.7	-170.6	78.9	0	0	0	110.9	R189 R190	H187-R189 VanDerWaalsContact C-N 3.31Å; H187-R189 PolarHBondContact O-N 3.03Å; H187-R190 PolarHBondContact N-O 2.71Å; H187-R190 WeakPolarHBondContact O-CA 3.46Å; H187-R190 VanDerWaalsContact O-CB 3.29Å; H187-R190 WeakPolarHBondContact O-CB 3.17Å; H187-R190 PolarHBondContact O-N 3.19Å
188	K	84.1	Confident	86.4	Confident	172 Å²	172	47.4 Å²	47.4	75%	0.748	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	50.7	177.5	-68.2	174.9	-179.6	-179.6	0	113.4	R190	K188-R190 PolarHBondContact O-N 3.4Å
189	R	86.3	Confident	86.6	Confident	130 Å²	130	41.7 Å²	41.7	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	5.6	-177.8	-54.4	179.7	-177.6	169.2	1.2	115.8	R116 L117 Y186 H187	R116-R189 CarbonylContact C-O 3.59Å; R116-R189 VanDerWaalsContact CA-O 3.28Å; R116-R189 WeakPolarHBondContact CA-O 3.11Å; L117-R189 PolarHBondContact N-O 2.86Å; Y186-R189 VanDerWaalsContact CE2-CA 3.42Å; Y186-R189 WeakPolarHBondContact OH-CA 3.3Å; H187-R189 VanDerWaalsContact C-N 3.31Å; H187-R189 PolarHBondContact O-N 3.03Å
190	R	87.8	Confident	85.9	Confident	63 Å²	63	41.8 Å²	41.8	24%	0.238	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.4	175.4	-55.6	-160.3	65.1	102.1	20.8	111.2	M48 D115 R116 Y186 H187 K188	M48-R190 VanDerWaalsContact SD-CZ 3.5Å; M48-R190 PolarHBondContact SD-NH1 3.21Å; M48-R190 PolarHBondContact SD-NH2 3.21Å; M48-R190 VanDerWaalsContact SD-NH2 3.36Å; D115-R190 IonicContact OD2-NH2 2.99Å; D115-R190 PolarHBondContact OD2-NH2 3.13Å; R116-R190 HydrophobicContact CG-CB 4.48Å; R116-R190 HydrophobicContact CG-CG 3.92Å; Y186-R190 CarbonylContact C-O 3.59Å; Y186-R190 VanDerWaalsContact CA-O 3.27Å; Y186-R190 WeakPolarHBondContact CA-O 3.08Å; Y186-R190 WeakPolarHBondContact CD2-O 3.35Å; H187-R190 PolarHBondContact N-O 2.71Å; H187-R190 WeakPolarHBondContact O-CA 3.46Å; H187-R190 VanDerWaalsContact O-CB 3.29Å; H187-R190 WeakPolarHBondContact O-CB 3.17Å; H187-R190 PolarHBondContact O-N 3.19Å; K188-R190 PolarHBondContact O-N 3.4Å
191	L	89.9	Confident	85.2	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.2	162.2	-75.2	68	0	0	0	107.2	V50 T54 A56 L67 D115 L117 T185 Y186	V50-L191 HydrophobicContact CG1-CB 3.93Å; V50-L191 HydrophobicContact CG1-CD2 4.22Å; V50-L191 HydrophobicContact CG2-CB 3.85Å; V50-L191 WeakPolarHBondContact CG2-O 3.22Å; T54-L191 HydrophobicContact CG2-CD2 3.95Å; A56-L191 HydrophobicContact CB-CD1 4.44Å; A56-L191 HydrophobicContact CB-CD2 4.34Å; L67-L191 HydrophobicContact CD2-CD2 4.23Å; L67-L191 HydrophobicContact CD2-CG 4.05Å; D115-L191 PolarHBondContact O-N 2.88Å; L117-L191 HydrophobicContact CD1-CD1 4.16Å; L117-L191 HydrophobicContact CG-CD1 3.93Å; T185-L191 WeakPolarHBondContact O-CA 3.48Å; Y186-L191 HydrophobicContact CD2-CD1 4.03Å; Y186-L191 HydrophobicContact CE2-CD1 4.37Å
192	D	86.9	Confident	84.6	Confident	93 Å²	93	40.3 Å²	40.3	50%	0.497	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.6	-178	-164.5	10.6	0	0	0	109.6	S184 T185	S184-D192 CarbonylContact C-O 3.46Å; S184-D192 WeakPolarHBondContact CA-O 3.34Å; T185-D192 PolarHBondContact N-O 3.36Å; T185-D192 PolarHBondContact O-N 3.03Å; T185-D192 PolarHBondContact OG1-O 2.96Å
193	E	87	Confident	84.3	Confident	29 Å²	29	42.6 Å²	42.6	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.9	178.8	-55.3	-62.9	159.9	0	0	110	L51 T54 S184	L51-E193 HydrophobicContact CD1-CG 3.7Å; L51-E193 HydrophobicContact CG-CG 4Å; T54-E193 PolarHBondContact OG1-OE1 3.31Å; T54-E193 VanDerWaalsContact OG1-OE1 3.13Å; S184-E193 WeakPolarHBondContact CA-OE2 3.42Å; S184-E193 WeakPolarHBondContact CB-OE2 3.32Å; S184-E193 PolarHBondContact N-OE2 2.87Å; S184-E193 VanDerWaalsContact OG-CD 3.24Å; S184-E193 PolarHBondContact OG-OE1 2.86Å; S184-E193 PolarHBondContact OG-OE2 3.14Å
194	E	84.7	Confident	83.8	Confident	32 Å²	32	42.7 Å²	42.7	15%	0.15	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.4	178.1	-178.3	167.4	-162	0	0	109.9	F182 V183 T185 V196 H222	F182-E194 CarbonylContact C-O 3.58Å; F182-E194 WeakPolarHBondContact CA-O 3.13Å; F182-E194 VanDerWaalsContact CB-O 3.24Å; F182-E194 WeakPolarHBondContact CB-O 3.44Å; V183-E194 HydrophobicContact CG1-CB 4.4Å; V183-E194 PolarHBondContact N-O 2.55Å; V183-E194 PolarHBondContact O-N 2.94Å; T185-E194 HydrophobicContact CG2-CB 3.6Å; E194-V196 WeakPolarHBondContact O-CG1 3.43Å; E194-V196 PolarHBondContact O-N 3.14Å; E194-H222 IonicContact OE2-ND1 3.4Å
195	V	85.1	Confident	82.8	Confident	73 Å²	73	47.8 Å²	47.8	44%	0.442	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.7	173.5	-177.9	0	0	0	0	109.2	F180 V610	F180-V195 HydrophobicContact CD2-CG1 4.32Å; F180-V195 HydrophobicContact CE1-CG2 4.31Å; F180-V195 HydrophobicContact CE2-CB 4.44Å; F180-V195 HydrophobicContact CE2-CG1 3.52Å; F180-V195 HydrophobicContact CE2-CG2 4.01Å; F180-V195 HydrophobicContact CZ-CB 4.25Å; F180-V195 HydrophobicContact CZ-CG1 3.77Å; F180-V195 HydrophobicContact CZ-CG2 3.44Å; F180-V195 VanDerWaalsContact CZ-CG2 3.44Å; V195-V610 HydrophobicContact CG1-CG2 4.46Å
196	V	84.9	Confident	81.7	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.3	-177.3	-50.8	0	0	0	0	111	C181 V183 E194 M198 H222 L235	C181-V196 HydrophobicContact CB-CG2 3.77Å; C181-V196 PolarHBondContact O-N 3.43Å; V183-V196 HydrophobicContact CB-CG1 4.2Å; V183-V196 HydrophobicContact CG1-CG1 3.68Å; E194-V196 WeakPolarHBondContact O-CG1 3.43Å; E194-V196 PolarHBondContact O-N 3.14Å; V196-M198 HydrophobicContact CG2-SD 4.16Å; V196-H222 WeakPolarHBondContact CG1-CE1 3.43Å; V196-H222 VanDerWaalsContact CG1-NE2 3.32Å; V196-H222 WeakPolarHBondContact CG1-NE2 3.43Å; V196-L235 HydrophobicContact CG2-CD1 3.72Å
197	R	80.9	Confident	80.2	Confident	43 Å²	43	47.9 Å²	47.9	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.7	171.4	-72.4	177.6	-70.4	-159.3	-12.2	108.8	S220 H221 E223	R197-S220 CarbonylContact O-C 3.51Å; R197-S220 VanDerWaalsContact O-CA 3.23Å; R197-S220 WeakPolarHBondContact O-CA 3.47Å; R197-S220 VanDerWaalsContact O-CB 3.24Å; R197-S220 WeakPolarHBondContact O-CB 3.2Å; R197-H221 PolarHBondContact O-N 2.9Å; R197-E223 IonicContact CZ-OE1 3.84Å; R197-E223 IonicContact NH2-OE1 2.93Å; R197-E223 PolarHBondContact NH2-OE1 3.48Å
198	M	84.9	Confident	78.9	Confident	24 Å²	24	46.1 Å²	46.1	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145.5	173.5	-58	-48.8	-67.3	0	0	110.3	P175 C181 V196 S202 L218 C219 L235	P175-M198 HydrophobicContact CG-CE 4.44Å; C181-M198 HydrophobicContact CB-CG 4.34Å; C181-M198 HydrophobicContact CB-SD 4.18Å; V196-M198 HydrophobicContact CG2-SD 4.16Å; M198-S202 WeakPolarHBondContact CB-OG 3.43Å; M198-L218 HydrophobicContact CE-CB 4.19Å; M198-C219 VanDerWaalsContact CE-O 3.31Å; M198-C219 WeakPolarHBondContact CE-O 3.43Å; M198-L235 HydrophobicContact CE-CD2 3.69Å; M198-L235 HydrophobicContact SD-CD1 3.96Å; M198-L235 HydrophobicContact SD-CD2 4.11Å
199	V	76.3	Confident	78.1	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	160.7	166	-63.6	0	0	0	0	109.5	G201 S202 F206 C219 L266	V199-G201 PolarHBondContact O-N 2.87Å; V199-G201 VanDerWaalsContact O-N 3.17Å; V199-S202 WeakPolarHBondContact O-CA 3.43Å; V199-S202 PolarHBondContact O-N 2.83Å; V199-F206 HydrophobicContact CB-CE1 4.3Å; V199-F206 HydrophobicContact CB-CZ 3.77Å; V199-F206 HydrophobicContact CG1-CE2 4.38Å; V199-F206 HydrophobicContact CG1-CZ 3.76Å; V199-F206 HydrophobicContact CG2-CE1 4.1Å; V199-F206 HydrophobicContact CG2-CZ 3.49Å; V199-F206 VanDerWaalsContact CG2-CZ 3.49Å; V199-C219 HydrophobicContact CB-CB 4.43Å; V199-C219 HydrophobicContact CG1-CB 3.87Å; V199-C219 HydrophobicContact CG2-CB 3.72Å; V199-C219 WeakPolarHBondContact CG2-O 3.43Å; V199-C219 PolarHBondContact N-O 3.29Å; V199-L266 HydrophobicContact CG1-CD1 3.53Å
200	P	65.5	Low	77.2	Confident	23 Å²	23	37.1 Å²	37.1	15%	0.149	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.5	123.5	168.7	-35.6	42.3	0	0	0	114	S202 M546 I547 V570	P200-S202 PolarHBondContact O-N 3.44Å; P200-M546 HydrophobicContact CG-CB 3.94Å; P200-I547 WeakPolarHBondContact CB-O 3.25Å; P200-I547 WeakPolarHBondContact CG-O 3.48Å; P200-V570 HydrophobicContact CG-CB 4.35Å; P200-V570 HydrophobicContact CG-CG2 3.44Å; P200-V570 VanDerWaalsContact CG-CG2 3.44Å
201	G	71.8	Confident	76.5	Confident	13 Å²	13	37.3 Å²	37.3	13%	0.134	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.1	6.2	-176.7	0	0	0	0	0	115.1	V174 V199 V203 R549	V174-G201 WeakPolarHBondContact CG1-O 3.45Å; V199-G201 PolarHBondContact O-N 2.87Å; V199-G201 VanDerWaalsContact O-N 3.17Å; G201-V203 PolarHBondContact O-N 3.31Å; G201-R549 PolarHBondContact O-NH2 3.41Å
202	S	79.6	Confident	76	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.5	-10.1	172.7	-52	0	0	0	0	116.7	V174 P175 M198 V199 P200 L218 C219	V174-S202 VanDerWaalsContact CG1-CB 3.41Å; P175-S202 PolarHBondContact O-OG 2.64Å; M198-S202 WeakPolarHBondContact CB-OG 3.43Å; V199-S202 WeakPolarHBondContact O-CA 3.43Å; V199-S202 PolarHBondContact O-N 2.83Å; P200-S202 PolarHBondContact O-N 3.44Å; S202-L218 CarbonylContact O-C 3.5Å; S202-L218 WeakPolarHBondContact O-CA 3.12Å; S202-L218 WeakPolarHBondContact O-CB 3.32Å; S202-L218 WeakPolarHBondContact O-CD2 3.19Å; S202-C219 PolarHBondContact O-N 3.13Å
203	V	84	Confident	75.6	Confident	49 Å²	49	34.9 Å²	34.9	30%	0.297	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.7	-178.3	179.8	0	0	0	0	111	V174 G201 K205 F206 L218	V174-V203 HydrophobicContact CG1-CG2 4.25Å; V174-V203 HydrophobicContact CG2-CG2 3.84Å; G201-V203 PolarHBondContact O-N 3.31Å; V203-K205 HydrophobicContact CG1-CB 4.14Å; V203-K205 PolarHBondContact O-N 3.13Å; V203-F206 WeakPolarHBondContact O-CE1 3.23Å; V203-F206 WeakPolarHBondContact O-CZ 3.44Å; V203-L218 HydrophobicContact CG2-CD2 4.23Å
204	C	80.4	Confident	75.2	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	23%	0.227	C	C	.	.			trans	-77.5	60.9	174.1	-58.9	0	0	0	0	112.7	F206 L212 G217 L218 C219 F268	C204-F206 HydrophobicContact CB-CE2 4.43Å; C204-L212 HydrophobicContact CB-CB 4.21Å; C204-L212 HydrophobicContact CB-CD1 4.33Å; C204-G217 PolarHBondContact N-O 3.22Å; C204-L218 PolarHBondContact SG-O 3.21Å; C204-C219 HydrophobicContact CB-CB 4.03Å; C204-C219 WeakPolarHBondContact CB-SG 3.24Å; C204-C219 WeakPolarHBondContact SG-CA 3.36Å; C204-C219 WeakPolarHBondContact SG-CB 3.5Å; C204-C219 PolarHBondContact SG-N 2.98Å; C204-C219 CovalentContact SG-SG 2.02Å; C204-C219 PolarHBondContact SG-SG 3.45Å; C204-F268 HydrophobicContact CB-CD2 3.95Å; C204-F268 HydrophobicContact CB-CE2 3.88Å; C204-F268 WeakPolarHBondContact SG-CD2 3.12Å; C204-F268 VanDerWaalsContact SG-CE2 3.59Å
205	K	72.7	Confident	75.2	Confident	107 Å²	107	41.6 Å²	41.6	47%	0.465	22%	0.22	S	C	.	.			trans	-115.4	77.3	176.2	-170.8	174.4	-177.3	175.3	0	109.7	V203 A213 P524	V203-K205 HydrophobicContact CG1-CB 4.14Å; V203-K205 PolarHBondContact O-N 3.13Å; K205-A213 HydrophobicContact CG-CB 4.07Å; K205-P524 VanDerWaalsContact O-O 3.11Å
206	F	66.1	Low	75.3	Confident	18 Å²	18	39.3 Å²	39.3	8%	0.079	21%	0.211	C	C	.	.			trans	-116.5	143.1	179.4	-42.4	-51	0	0	0	109.2	V199 V203 C204 H208 F209 C219 L266 M546	V199-F206 HydrophobicContact CB-CE1 4.3Å; V199-F206 HydrophobicContact CB-CZ 3.77Å; V199-F206 HydrophobicContact CG1-CE2 4.38Å; V199-F206 HydrophobicContact CG1-CZ 3.76Å; V199-F206 HydrophobicContact CG2-CE1 4.1Å; V199-F206 HydrophobicContact CG2-CZ 3.49Å; V199-F206 VanDerWaalsContact CG2-CZ 3.49Å; V203-F206 WeakPolarHBondContact O-CE1 3.23Å; V203-F206 WeakPolarHBondContact O-CZ 3.44Å; C204-F206 HydrophobicContact CB-CE2 4.43Å; F206-H208 PolarHBondContact O-N 3.19Å; F206-F209 HydrophobicContact CD2-CD2 4.22Å; F206-F209 CarbonylContact O-C 3.49Å; F206-F209 PolarHBondContact O-N 2.49Å; F206-C219 HydrophobicContact CE2-CB 3.78Å; F206-C219 HydrophobicContact CZ-CB 3.9Å; F206-L266 HydrophobicContact CD2-CD2 4.01Å; F206-L266 HydrophobicContact CE2-CD1 4.29Å; F206-L266 HydrophobicContact CE2-CD2 3.78Å; F206-M546 HydrophobicContact CB-CE 4.19Å; F206-M546 HydrophobicContact CD1-CE 2.94Å; F206-M546 HydrophobicContact CD2-CE 4.17Å; F206-M546 HydrophobicContact CE1-CE 3.14Å; F206-M546 HydrophobicContact CE2-CE 4.32Å; F206-M546 HydrophobicContact CG-CE 3.49Å; F206-M546 VanDerWaalsContact CG-CE 3.49Å; F206-M546 HydrophobicContact CZ-CE 3.85Å
207	G	59	Low	75.6	Confident	33 Å²	33	39 Å²	39	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-14.4	-179.4	0	0	0	0	0	115	Y525 S527	G207-Y525 WeakPolarHBondContact CA-O 3.38Å; G207-Y525 PolarHBondContact N-O 3.09Å; G207-S527 VanDerWaalsContact CA-OG 3.28Å; G207-S527 WeakPolarHBondContact CA-OG 3.44Å
208	H	60	Low	76.1	Confident	51 Å²	51	37 Å²	37	24%	0.236	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-24.7	173.2	-87.7	-82.3	0	0	0	114.9	F206 P210 S527 Y529 I544	F206-H208 PolarHBondContact O-N 3.19Å; H208-P210 WeakPolarHBondContact O-CD 3.12Å; H208-S527 PolarHBondContact CD2-OG 3.15Å; H208-S527 PolarHBondContact N-OG 3.44Å; H208-Y529 AromaticContact CE1-CE1 3.97Å; H208-Y529 AromaticContact CE1-CZ 3.82Å; H208-Y529 PolarHBondContact CE1-OH 3.01Å; H208-Y529 AromaticContact NE2-CE1 3.38Å; H208-Y529 WeakPolarHBondContact NE2-CE1 3.24Å; H208-Y529 AromaticContact NE2-CZ 3.24Å; H208-Y529 PolarHBondContact NE2-OH 3.34Å; H208-I544 WeakPolarHBondContact CD2-CD1 3.48Å
209	F	66.9	Low	76.3	Confident	27 Å²	27	35.8 Å²	35.8	12%	0.118	20%	0.196	C	C	.	.			trans	-126	59.7	-179.6	-56	-77.6	0	0	0	109.3	F206 E211 L212 L253 L266	F206-F209 HydrophobicContact CD2-CD2 4.22Å; F206-F209 CarbonylContact O-C 3.49Å; F206-F209 PolarHBondContact O-N 2.49Å; F209-E211 VanDerWaalsContact C-OE2 3.26Å; F209-E211 WeakPolarHBondContact CA-OE2 3.29Å; F209-E211 PolarHBondContact O-N 3.03Å; F209-E211 VanDerWaalsContact O-N 3.14Å; F209-L212 HydrophobicContact CB-CB 4.11Å; F209-L212 HydrophobicContact CB-CD1 3.51Å; F209-L212 HydrophobicContact CB-CG 3.75Å; F209-L212 HydrophobicContact CD1-CD1 4.23Å; F209-L212 HydrophobicContact CD2-CD1 4.48Å; F209-L212 HydrophobicContact CG-CD1 3.85Å; F209-L212 WeakPolarHBondContact O-CB 3Å; F209-L212 PolarHBondContact O-N 3.26Å; F209-L253 HydrophobicContact CD2-CD1 4.22Å; F209-L253 HydrophobicContact CE1-CB 4.2Å; F209-L253 HydrophobicContact CE1-CD2 4.29Å; F209-L253 HydrophobicContact CE2-CB 4.26Å; F209-L253 HydrophobicContact CE2-CD1 4.13Å; F209-L253 HydrophobicContact CG-CD1 4.48Å; F209-L253 HydrophobicContact CZ-CB 3.79Å; F209-L253 HydrophobicContact CZ-CD1 4.32Å; F209-L253 HydrophobicContact CZ-CG 4.47Å; F209-L266 HydrophobicContact CD2-CD2 4.39Å; F209-L266 HydrophobicContact CE2-CD2 3.82Å
210	P	67	Low	76.8	Confident	85 Å²	85	35.7 Å²	35.7	55%	0.552	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-56.8	-28.5	-179.8	26	-35.3	0	0	0	112.1	H208 L212 A213	H208-P210 WeakPolarHBondContact O-CD 3.12Å; P210-L212 PolarHBondContact O-N 3.48Å; P210-A213 VanDerWaalsContact O-CB 3.28Å; P210-A213 WeakPolarHBondContact O-CB 3.22Å; P210-A213 PolarHBondContact O-N 3.45Å
211	E	73.2	Confident	77.4	Confident	68 Å²	68	36.2 Å²	36.2	32%	0.318	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-61.6	-28.7	174	68.4	-83.7	-163.9	0	0	113.2	V140 F209	V140-E211 HydrophobicContact CG2-CG 4.27Å; F209-E211 VanDerWaalsContact C-OE2 3.26Å; F209-E211 WeakPolarHBondContact CA-OE2 3.29Å; F209-E211 PolarHBondContact O-N 3.03Å; F209-E211 VanDerWaalsContact O-N 3.14Å
212	L	80	Confident	77.5	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-81.6	-17.5	179.3	-59.4	-180	0	0	0	112.6	T139 I144 C204 F209 P210 R214 T215 L253 F268	T139-L212 HydrophobicContact CG2-CD2 4.11Å; I144-L212 HydrophobicContact CD1-CD2 4.1Å; I144-L212 HydrophobicContact CG2-CD2 4.3Å; C204-L212 HydrophobicContact CB-CB 4.21Å; C204-L212 HydrophobicContact CB-CD1 4.33Å; F209-L212 HydrophobicContact CB-CB 4.11Å; F209-L212 HydrophobicContact CB-CD1 3.51Å; F209-L212 HydrophobicContact CB-CG 3.75Å; F209-L212 HydrophobicContact CD1-CD1 4.23Å; F209-L212 HydrophobicContact CD2-CD1 4.48Å; F209-L212 HydrophobicContact CG-CD1 3.85Å; F209-L212 WeakPolarHBondContact O-CB 3Å; F209-L212 PolarHBondContact O-N 3.26Å; P210-L212 PolarHBondContact O-N 3.48Å; L212-R214 PolarHBondContact O-N 2.69Å; L212-R214 VanDerWaalsContact O-N 3.09Å; L212-T215 HydrophobicContact CD2-CG2 4.44Å; L212-T215 WeakPolarHBondContact O-CB 3.32Å; L212-T215 PolarHBondContact O-N 3.02Å; L212-T215 PolarHBondContact O-OG1 3.3Å; L212-L253 HydrophobicContact CD1-CD1 3.47Å; L212-L253 VanDerWaalsContact CD1-CD1 3.47Å; L212-L253 HydrophobicContact CD1-CD2 3.88Å; L212-L253 HydrophobicContact CD1-CG 4.34Å; L212-F268 HydrophobicContact CB-CE2 4.23Å; L212-F268 HydrophobicContact CD1-CD2 3.75Å; L212-F268 HydrophobicContact CD1-CE2 4.07Å; L212-F268 HydrophobicContact CD2-CD2 4.04Å; L212-F268 HydrophobicContact CD2-CE2 3.76Å; L212-F268 HydrophobicContact CD2-CZ 4.14Å; L212-F268 HydrophobicContact CG-CD2 4.39Å; L212-F268 HydrophobicContact CG-CE2 4.23Å
213	A	77	Confident	76.7	Confident	42 Å²	42	42.1 Å²	42.1	35%	0.347	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.2	-25.5	-175.8	0	0	0	0	0	113.5	K205 P210	K205-A213 HydrophobicContact CG-CB 4.07Å; P210-A213 VanDerWaalsContact O-CB 3.28Å; P210-A213 WeakPolarHBondContact O-CB 3.22Å; P210-A213 PolarHBondContact O-N 3.45Å
214	R	79.6	Confident	75.7	Confident	202 Å²	202	48.1 Å²	48.1	76%	0.762	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-92.1	-6.7	179.4	-60.4	-175.7	-167.5	150.6	2.3	114.3	L212	L212-R214 PolarHBondContact O-N 2.69Å; L212-R214 VanDerWaalsContact O-N 3.09Å
215	T	84.9	Confident	74.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.9	-173.2	64.6	0	0	0	0	113.7	Y137 T139 L212 G217 F268	Y137-T215 HydrophobicContact CD1-CG2 3.8Å; Y137-T215 HydrophobicContact CE1-CG2 4.15Å; Y137-T215 HydrophobicContact CG-CG2 4.17Å; T139-T215 HydrophobicContact CG2-CG2 3.95Å; L212-T215 HydrophobicContact CD2-CG2 4.44Å; L212-T215 WeakPolarHBondContact O-CB 3.32Å; L212-T215 PolarHBondContact O-N 3.02Å; L212-T215 PolarHBondContact O-OG1 3.3Å; T215-G217 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact O-N 3.1Å; T215-G217 PolarHBondContact OG1-N 3.45Å; T215-G217 VanDerWaalsContact OG1-N 3.09Å; T215-F268 HydrophobicContact CG2-CZ 4.39Å; T215-F268 WeakPolarHBondContact OG1-CZ 3.31Å
216	G	86.2	Confident	73.9	Confident	25 Å²	25	48.7 Å²	48.7	26%	0.258	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	11.3	-167.2	0	0	0	0	0	113.6
217	G	91.4	Very high	73.6	Confident	1 Å²	1	48 Å²	48	1%	0.01	25%	0.245	C	C	.	.			trans	-68.2	158	-175	0	0	0	0	0	113.5	C204 T215 Y269	C204-G217 PolarHBondContact N-O 3.22Å; T215-G217 PolarHBondContact O-N 3.4Å; T215-G217 VanDerWaalsContact O-N 3.1Å; T215-G217 PolarHBondContact OG1-N 3.45Å; T215-G217 VanDerWaalsContact OG1-N 3.09Å; G217-Y269 CarbonylContact C-O 3.46Å; G217-Y269 VanDerWaalsContact CA-O 3.24Å; G217-Y269 WeakPolarHBondContact CA-O 3.19Å
218	L	92.5	Very high	73.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.2	-178.3	-57.3	174.4	0	0	0	111.2	V174 M198 S202 V203 C204 L235 F246 Y269	V174-L218 HydrophobicContact CG1-CD2 4.37Å; M198-L218 HydrophobicContact CE-CB 4.19Å; S202-L218 CarbonylContact O-C 3.5Å; S202-L218 WeakPolarHBondContact O-CA 3.12Å; S202-L218 WeakPolarHBondContact O-CB 3.32Å; S202-L218 WeakPolarHBondContact O-CD2 3.19Å; V203-L218 HydrophobicContact CG2-CD2 4.23Å; C204-L218 PolarHBondContact SG-O 3.21Å; L218-L235 HydrophobicContact CB-CD2 4.18Å; L218-L235 HydrophobicContact CD1-CD2 3.99Å; L218-F246 HydrophobicContact CD1-CB 3.6Å; L218-F246 HydrophobicContact CD1-CD1 4.46Å; L218-F246 HydrophobicContact CD1-CG 4.48Å; L218-Y269 PolarHBondContact N-O 2.85Å; L218-Y269 VanDerWaalsContact O-CD2 3.31Å; L218-Y269 WeakPolarHBondContact O-CD2 3.08Å; L218-Y269 PolarHBondContact O-N 2.74Å
219	C	88.3	Confident	74.7	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.1	-173.6	-89.3	0	0	0	0	112.6	M198 V199 S202 C204 F206 L266 H267	M198-C219 VanDerWaalsContact CE-O 3.31Å; M198-C219 WeakPolarHBondContact CE-O 3.43Å; V199-C219 HydrophobicContact CB-CB 4.43Å; V199-C219 HydrophobicContact CG1-CB 3.87Å; V199-C219 HydrophobicContact CG2-CB 3.72Å; V199-C219 WeakPolarHBondContact CG2-O 3.43Å; V199-C219 PolarHBondContact N-O 3.29Å; S202-C219 PolarHBondContact O-N 3.13Å; C204-C219 HydrophobicContact CB-CB 4.03Å; C204-C219 WeakPolarHBondContact CB-SG 3.24Å; C204-C219 WeakPolarHBondContact SG-CA 3.36Å; C204-C219 WeakPolarHBondContact SG-CB 3.5Å; C204-C219 PolarHBondContact SG-N 2.98Å; C204-C219 CovalentContact SG-SG 2.02Å; C204-C219 PolarHBondContact SG-SG 3.45Å; F206-C219 HydrophobicContact CE2-CB 3.78Å; F206-C219 HydrophobicContact CZ-CB 3.9Å; C219-L266 HydrophobicContact CB-CD1 3.89Å; C219-H267 VanDerWaalsContact CA-O 3.25Å; C219-H267 WeakPolarHBondContact CA-O 3.34Å
220	S	86.4	Confident	75.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.1	176.3	75.2	0	0	0	0	112.3	R197 H222 H267 Y269	R197-S220 CarbonylContact O-C 3.51Å; R197-S220 VanDerWaalsContact O-CA 3.23Å; R197-S220 WeakPolarHBondContact O-CA 3.47Å; R197-S220 VanDerWaalsContact O-CB 3.24Å; R197-S220 WeakPolarHBondContact O-CB 3.2Å; S220-H222 PolarHBondContact OG-CD2 3.13Å; S220-H222 PolarHBondContact OG-NE2 3.21Å; S220-H267 PolarHBondContact N-O 3.19Å; S220-H267 PolarHBondContact O-N 3.1Å; S220-Y269 VanDerWaalsContact OG-CE2 3.24Å; S220-Y269 WeakPolarHBondContact OG-CE2 3.37Å; S220-Y269 PolarHBondContact OG-OH 3.31Å
221	H	78.5	Confident	77.1	Confident	33 Å²	33	51.1 Å²	51.1	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.7	171.8	-69.5	-89.1	0	0	0	111	R197	R197-H221 PolarHBondContact O-N 2.9Å
222	H	74.1	Confident	78.2	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139	176.6	-76.6	-106.5	0	0	0	110.7	E194 V196 S220 Q264 A265 H267 Y269	E194-H222 IonicContact OE2-ND1 3.4Å; V196-H222 WeakPolarHBondContact CG1-CE1 3.43Å; V196-H222 VanDerWaalsContact CG1-NE2 3.32Å; V196-H222 WeakPolarHBondContact CG1-NE2 3.43Å; S220-H222 PolarHBondContact OG-CD2 3.13Å; S220-H222 PolarHBondContact OG-NE2 3.21Å; H222-Q264 WeakPolarHBondContact O-CA 3.23Å; H222-A265 HydrophobicContact CB-CB 4.2Å; H222-A265 PolarHBondContact N-O 3.43Å; H222-A265 PolarHBondContact O-N 3.14Å; H222-H267 AromaticContact CD2-CD2 3.69Å; H222-H267 AromaticContact CD2-CE1 3.55Å; H222-H267 AromaticContact CD2-CG 3.16Å; H222-H267 AromaticContact CD2-ND1 3.13Å; H222-H267 PolarHBondContact CD2-ND1 3.33Å; H222-H267 AromaticContact CD2-NE2 3.92Å; H222-H267 AromaticContact CE1-CE1 3.39Å; H222-H267 PolarHBondContact CE1-CE1 2.67Å; H222-H267 AromaticContact CE1-CG 3.9Å; H222-H267 AromaticContact CE1-ND1 3.04Å; H222-H267 PolarHBondContact CE1-ND1 3.02Å; H222-H267 AromaticContact CG-CD2 3.73Å; H222-H267 AromaticContact CG-CE1 3.13Å; H222-H267 AromaticContact CG-CG 3.56Å; H222-H267 AromaticContact CG-ND1 3.24Å; H222-H267 AromaticContact CG-NE2 3.49Å; H222-H267 AromaticContact ND1-CE1 3.04Å; H222-H267 PolarHBondContact ND1-CE1 3.46Å; H222-H267 AromaticContact ND1-ND1 3.21Å; H222-H267 PolarHBondContact ND1-ND1 3.09Å; H222-H267 AromaticContact ND1-NE2 3.85Å; H222-H267 AromaticContact NE2-CE1 3.69Å; H222-H267 AromaticContact NE2-CG 3.41Å; H222-H267 AromaticContact NE2-ND1 3Å; H222-H267 PolarHBondContact NE2-ND1 2.98Å; H222-Y269 PolarHBondContact CE1-OH 3.02Å; H222-Y269 PolarHBondContact NE2-OH 3.44Å
223	E	63.1	Low	79	Confident	134 Å²	134	47.8 Å²	47.8	63%	0.626	23%	0.228	S	C	*	.	S	Bend	trans	-80.8	-21.4	178.4	-62.2	-169.6	164.6	0	0	112.3	R197	R197-E223 IonicContact CZ-OE1 3.84Å; R197-E223 IonicContact NH2-OE1 2.93Å; R197-E223 PolarHBondContact NH2-OE1 3.48Å
224	R	63.2	Low	79.9	Confident	176 Å²	176	45.8 Å²	45.8	66%	0.664	21%	0.212	S	C	*	.			trans	-114	145.5	178.8	-64.8	175.9	177.3	160.8	-0	109.5	T227	R224-T227 VanDerWaalsContact O-CG2 3.3Å; R224-T227 WeakPolarHBondContact O-CG2 3.44Å
225	A	55.2	Low	80.8	Confident	22 Å²	22	36.1 Å²	36.1	18%	0.182	18%	0.176	C	C	.	.			trans	-114.1	7	-179.3	0	0	0	0	0	114.5	T227 Q252 K263 A265	A225-T227 PolarHBondContact O-N 2.88Å; A225-Q252 VanDerWaalsContact CA-OE1 3.31Å; A225-Q252 PolarHBondContact O-OE1 3.15Å; A225-K263 HydrophobicContact CB-CB 3.38Å; A225-K263 HydrophobicContact CB-CD 3.5Å; A225-K263 HydrophobicContact CB-CG 4.09Å; A225-A265 HydrophobicContact CB-CB 4.07Å
226	D	60	Low	81.3	Confident	98 Å²	98	36.1 Å²	36.1	52%	0.524	18%	0.176	S	C	.	.			trans	-90.8	57.5	173	-173.5	27.1	0	0	0	110.8	K229	D226-K229 IonicContact OD1-NZ 3.93Å; D226-K229 IonicContact OD2-NZ 2.8Å; D226-K229 PolarHBondContact OD2-NZ 3.04Å
227	T	59.8	Low	81.7	Confident	4 Å²	4	35 Å²	35	3%	0.025	16%	0.163	C	C	.	.			trans	-106	11.1	-163.8	60.5	0	0	0	0	113	R224 A225 K229 S230 Y249 Q252 H267	R224-T227 VanDerWaalsContact O-CG2 3.3Å; R224-T227 WeakPolarHBondContact O-CG2 3.44Å; A225-T227 PolarHBondContact O-N 2.88Å; T227-K229 PolarHBondContact O-N 3.39Å; T227-S230 WeakPolarHBondContact O-CB 3.31Å; T227-S230 PolarHBondContact O-N 3Å; T227-Y249 VanDerWaalsContact O-CE1 3.28Å; T227-Y249 WeakPolarHBondContact O-CE1 3.33Å; T227-Y249 PolarHBondContact O-OH 3.16Å; T227-Y249 PolarHBondContact OG1-OH 3Å; T227-Q252 PolarHBondContact OG1-OE1 3.33Å; T227-H267 WeakPolarHBondContact CB-CE1 3.25Å; T227-H267 VanDerWaalsContact CB-NE2 3.33Å; T227-H267 WeakPolarHBondContact CB-NE2 3.24Å; T227-H267 WeakPolarHBondContact CG2-CE1 3.47Å; T227-H267 WeakPolarHBondContact CG2-NE2 3.09Å; T227-H267 PolarHBondContact OG1-CE1 2.86Å; T227-H267 PolarHBondContact OG1-NE2 3.15Å
228	E	62.5	Low	81.7	Confident	167 Å²	167	36.4 Å²	36.4	78%	0.78	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-52.1	-28.2	169.1	-68.5	-170.5	167.6	0	0	111.9	S230 L231	E228-S230 VanDerWaalsContact C-N 3.26Å; E228-S230 PolarHBondContact O-N 3.04Å; E228-L231 PolarHBondContact O-N 3.05Å
229	K	79.5	Confident	81.6	Confident	64 Å²	64	38.6 Å²	38.6	28%	0.278	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-82.6	-1.7	-177.8	-54.5	172.6	-173.4	131.1	0	113.8	Y186 D226 T227	Y186-K229 WeakPolarHBondContact CB-O 3.5Å; Y186-K229 HydrophobicContact CD1-CB 4.27Å; Y186-K229 PolarHBondContact N-O 3.49Å; Y186-K229 WeakPolarHBondContact O-CB 3.4Å; Y186-K229 WeakPolarHBondContact O-CD 3.24Å; Y186-K229 WeakPolarHBondContact O-CG 3.1Å; D226-K229 IonicContact OD1-NZ 3.93Å; D226-K229 IonicContact OD2-NZ 2.8Å; D226-K229 PolarHBondContact OD2-NZ 3.04Å; T227-K229 PolarHBondContact O-N 3.39Å
230	S	90	Very high	81.6	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.021	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-92.9	-1.7	173.8	-52	0	0	0	0	112.4	T185 T227 E228 G232 G233 Y249	T185-S230 WeakPolarHBondContact CG2-OG 3.42Å; T227-S230 WeakPolarHBondContact O-CB 3.31Å; T227-S230 PolarHBondContact O-N 3Å; E228-S230 VanDerWaalsContact C-N 3.26Å; E228-S230 PolarHBondContact O-N 3.04Å; S230-G232 PolarHBondContact O-N 3.21Å; S230-G233 WeakPolarHBondContact O-CA 3.07Å; S230-G233 PolarHBondContact O-N 3.13Å; S230-Y249 WeakPolarHBondContact O-CD1 2.97Å
231	L	93.7	Very high	81.6	Confident	27 Å²	27	49.5 Å²	49.5	14%	0.141	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	125.3	-176.2	-173.2	64.1	0	0	0	112	C66 L67 A90 E228 G233 L250	C66-L231 CarbonylContact C-O 3.45Å; C66-L231 VanDerWaalsContact CA-O 3.3Å; C66-L231 WeakPolarHBondContact CA-O 3.12Å; C66-L231 WeakPolarHBondContact CB-O 3.48Å; C66-L231 WeakPolarHBondContact SG-CD2 3.24Å; C66-L231 WeakPolarHBondContact SG-CG 3.31Å; L67-L231 PolarHBondContact N-O 2.88Å; A90-L231 HydrophobicContact CB-CD1 3.81Å; A90-L231 HydrophobicContact CB-CG 4.08Å; E228-L231 PolarHBondContact O-N 3.05Å; L231-G233 PolarHBondContact O-N 2.83Å; L231-L250 WeakPolarHBondContact CD1-O 3.29Å
232	G	96.4	Very high	82.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-3	-175.6	0	0	0	0	0	114.8	L67 G68 S230 Y249	L67-G232 CarbonylContact C-O 3.15Å; L67-G232 CarbonylContact O-C 3.19Å; G68-G232 WeakPolarHBondContact CA-O 3.37Å; S230-G232 PolarHBondContact O-N 3.21Å; G232-Y249 PolarHBondContact N-O 2.02Å
233	G	96.3	Very high	83.2	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.258	C	S	.	.			trans	-63.2	136	179.3	0	0	0	0	0	111.9	S230 L231 Y249	S230-G233 WeakPolarHBondContact O-CA 3.07Å; S230-G233 PolarHBondContact O-N 3.13Å; L231-G233 PolarHBondContact O-N 2.83Å; G233-Y249 PolarHBondContact O-N 3.07Å
234	P	97.7	Very high	84.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.7	-179.5	31.4	-36.6	0	0	0	111	V183 V236 Q245	V183-P234 WeakPolarHBondContact CA-O 3.13Å; P234-V236 HydrophobicContact CB-CG2 3.86Å; P234-V236 HydrophobicContact CG-CG2 4.21Å; P234-V236 PolarHBondContact O-N 3.4Å; P234-Q245 HydrophobicContact CB-CG 3.94Å
235	L	96.6	Very high	86.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	109.7	163.6	174.2	65.9	0	0	0	108.2	C181 V196 M198 L218 Q245 F246 G247 Y269	C181-L235 HydrophobicContact CB-CD1 4.25Å; V196-L235 HydrophobicContact CG2-CD1 3.72Å; M198-L235 HydrophobicContact CE-CD2 3.69Å; M198-L235 HydrophobicContact SD-CD1 3.96Å; M198-L235 HydrophobicContact SD-CD2 4.11Å; L218-L235 HydrophobicContact CB-CD2 4.18Å; L218-L235 HydrophobicContact CD1-CD2 3.99Å; L235-Q245 CarbonylContact O-C 3.51Å; L235-Q245 WeakPolarHBondContact O-CA 3.34Å; L235-F246 HydrophobicContact CD2-CB 4.31Å; L235-F246 PolarHBondContact O-N 3.2Å; L235-G247 PolarHBondContact N-O 2.81Å; L235-Y269 HydrophobicContact CB-CD1 3.53Å; L235-Y269 HydrophobicContact CB-CE1 3.74Å; L235-Y269 HydrophobicContact CB-CG 4.12Å; L235-Y269 HydrophobicContact CD1-CE1 4.2Å; L235-Y269 HydrophobicContact CD2-CD1 4.18Å; L235-Y269 HydrophobicContact CD2-CD2 4.08Å; L235-Y269 HydrophobicContact CD2-CE2 4.48Å; L235-Y269 HydrophobicContact CD2-CG 3.93Å; L235-Y269 HydrophobicContact CG-CD1 4.32Å; L235-Y269 HydrophobicContact CG-CE1 4.37Å
236	V	96.3	Very high	88.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.9	-176.5	-180	0	0	0	0	109.5	W53 V166 C181 F182 P234 A243 H244 Q245	W53-V236 HydrophobicContact CZ2-CG1 4.13Å; V166-V236 HydrophobicContact CG2-CG1 4.06Å; V166-V236 HydrophobicContact CG2-CG2 4.11Å; C181-V236 CarbonylContact C-O 3.17Å; C181-V236 WeakPolarHBondContact CA-O 3.47Å; F182-V236 HydrophobicContact CD2-CB 4.09Å; F182-V236 HydrophobicContact CE1-CG1 4.4Å; F182-V236 HydrophobicContact CE2-CB 3.47Å; F182-V236 VanDerWaalsContact CE2-CB 3.47Å; F182-V236 HydrophobicContact CE2-CG1 3.68Å; F182-V236 HydrophobicContact CE2-CG2 4.25Å; F182-V236 HydrophobicContact CZ-CB 3.81Å; F182-V236 HydrophobicContact CZ-CG1 3.52Å; F182-V236 PolarHBondContact N-O 3.24Å; F182-V236 PolarHBondContact O-N 2.93Å; P234-V236 HydrophobicContact CB-CG2 3.86Å; P234-V236 HydrophobicContact CG-CG2 4.21Å; P234-V236 PolarHBondContact O-N 3.4Å; V236-A243 HydrophobicContact CG1-CB 3.7Å; V236-H244 CarbonylContact C-O 3.59Å; V236-H244 VanDerWaalsContact CA-O 3.32Å; V236-H244 WeakPolarHBondContact CA-O 3.33Å; V236-Q245 HydrophobicContact CG2-CB 4.3Å; V236-Q245 HydrophobicContact CG2-CG 4.46Å
237	C	94.4	Very high	90.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.2	176.2	-55.5	0	0	0	0	110.6	P175 F180 C181 H244 F246	P175-C237 HydrophobicContact CB-CB 4.32Å; F180-C237 WeakPolarHBondContact O-CA 3.39Å; C181-C237 HydrophobicContact CB-CB 4.12Å; C181-C237 WeakPolarHBondContact CB-SG 3.37Å; C181-C237 WeakPolarHBondContact SG-CB 3.31Å; C181-C237 CovalentContact SG-SG 2.04Å; C181-C237 PolarHBondContact SG-SG 3.05Å; C237-H244 PolarHBondContact N-O 3.06Å; C237-H244 PolarHBondContact O-N 3.05Å; C237-F246 HydrophobicContact CB-CD2 3.85Å; C237-F246 HydrophobicContact CB-CE2 3.85Å
238	L	92.2	Very high	91.9	Very high	31 Å²	31	32.2 Å²	32.2	16%	0.162	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.2	176.2	-54.4	-173.2	0	0	0	110.6	I38 L42 F180 F182 A243	I38-L238 HydrophobicContact CD1-CD2 4.14Å; I38-L238 HydrophobicContact CG2-CD1 4.01Å; I38-L238 HydrophobicContact CG2-CD2 3.67Å; I38-L238 HydrophobicContact CG2-CG 4.5Å; L42-L238 HydrophobicContact CD1-CD1 3.71Å; F180-L238 HydrophobicContact CD1-CD1 4.06Å; F180-L238 HydrophobicContact CD1-CG 4.34Å; F180-L238 PolarHBondContact O-N 2.94Å; F182-L238 HydrophobicContact CE1-CD2 3.91Å; F182-L238 HydrophobicContact CE1-CG 4.02Å; F182-L238 HydrophobicContact CZ-CD2 4.16Å; L238-A243 HydrophobicContact CD2-CB 3.95Å
239	I	90.2	Very high	93.5	Very high	47 Å²	47	24.5 Å²	24.5	24%	0.241	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.5	177.2	-57.2	177.7	0	0	0	106.7	G241 R242 F246	I239-G241 PolarHBondContact O-N 3.19Å; I239-G241 VanDerWaalsContact O-N 3.16Å; I239-R242 PolarHBondContact N-O 3.34Å; I239-R242 PolarHBondContact O-N 3.18Å; I239-F246 HydrophobicContact CD1-CE2 3.68Å; I239-F246 HydrophobicContact CD1-CZ 3.53Å
240	N	86.9	Confident	94.1	Very high	167 Å²	167	21.5 Å²	21.5	89%	0.893	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	40.4	-179.5	-57.4	-25.3	0	0	0	113.3	R242	N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.91Å
241	G	86.3	Confident	94.1	Very high	63 Å²	63	21.6 Å²	21.6	65%	0.649	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	0.1	-179.7	0	0	0	0	0	115.8	I239	I239-G241 PolarHBondContact O-N 3.19Å; I239-G241 VanDerWaalsContact O-N 3.16Å
242	R	91.7	Very high	93.6	Very high	60 Å²	60	22.1 Å²	22.1	23%	0.226	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138	178.5	-171.8	-178.6	-66.7	-155.9	0.2	111.5	A25 V29 I239 N240 H244	A25-R242 PolarHBondContact O-NH1 2.84Å; V29-R242 HydrophobicContact CG2-CB 4.49Å; V29-R242 HydrophobicContact CG2-CG 4.01Å; I239-R242 PolarHBondContact N-O 3.34Å; I239-R242 PolarHBondContact O-N 3.18Å; N240-R242 VanDerWaalsContact C-N 3.27Å; N240-R242 PolarHBondContact O-N 2.91Å; R242-H244 PolarHBondContact O-ND1 3.18Å
243	A	95	Very high	92.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.1	178.1	0	0	0	0	0	112.6	G28 I38 W53 V166 C167 V236 L238	G28-A243 WeakPolarHBondContact CA-O 3.47Å; G28-A243 PolarHBondContact O-N 3.05Å; I38-A243 HydrophobicContact CD1-CB 3.75Å; W53-A243 HydrophobicContact CH2-CB 3.34Å; W53-A243 HydrophobicContact CZ2-CB 3.76Å; W53-A243 HydrophobicContact CZ3-CB 4.09Å; V166-A243 HydrophobicContact CG2-CB 4.21Å; C167-A243 WeakPolarHBondContact CB-O 3.38Å; C167-A243 PolarHBondContact N-O 2.89Å; V236-A243 HydrophobicContact CG1-CB 3.7Å; L238-A243 HydrophobicContact CD2-CB 3.95Å
244	H	96	Very high	90.9	Very high	41 Å²	41	28 Å²	28	19%	0.19	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.9	175.1	-65.8	80	0	0	0	110.3	C167 V236 C237 R242 F246	C167-H244 CarbonylContact O-C 3.56Å; C167-H244 WeakPolarHBondContact O-CA 3.49Å; V236-H244 CarbonylContact C-O 3.59Å; V236-H244 VanDerWaalsContact CA-O 3.32Å; V236-H244 WeakPolarHBondContact CA-O 3.33Å; C237-H244 PolarHBondContact N-O 3.06Å; C237-H244 PolarHBondContact O-N 3.05Å; R242-H244 PolarHBondContact O-ND1 3.18Å; H244-F246 HydrophobicContact CB-CD2 4.31Å; H244-F246 HydrophobicContact CB-CE2 3.82Å; H244-F246 WeakPolarHBondContact O-CD2 3.4Å
245	Q	97.4	Very high	88.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121.3	172.5	-173.8	-178.4	-5.9	0	0	109.9	S69 V166 C167 A169 P234 L235 V236 G247 V272	S69-Q245 VanDerWaalsContact CB-OE1 3.29Å; S69-Q245 PolarHBondContact OG-NE2 2.73Å; S69-Q245 VanDerWaalsContact OG-NE2 3.14Å; S69-Q245 PolarHBondContact OG-OE1 2.05Å; V166-Q245 HydrophobicContact CG1-CB 3.77Å; V166-Q245 VanDerWaalsContact CG1-OE1 3.32Å; V166-Q245 HydrophobicContact CG2-CB 4.03Å; C167-Q245 PolarHBondContact O-N 3.16Å; A169-Q245 WeakPolarHBondContact CB-O 3.39Å; A169-Q245 PolarHBondContact N-O 2.86Å; P234-Q245 HydrophobicContact CB-CG 3.94Å; L235-Q245 CarbonylContact O-C 3.51Å; L235-Q245 WeakPolarHBondContact O-CA 3.34Å; V236-Q245 HydrophobicContact CG2-CB 4.3Å; V236-Q245 HydrophobicContact CG2-CG 4.46Å; Q245-G247 WeakPolarHBondContact CG-O 3.32Å; Q245-G247 PolarHBondContact NE2-O 3.43Å; Q245-G247 VanDerWaalsContact NE2-O 3.14Å; Q245-V272 HydrophobicContact CB-CG1 4.36Å; Q245-V272 HydrophobicContact CG-CG1 3.76Å; Q245-V272 WeakPolarHBondContact O-CG1 3.38Å
246	F	97.3	Very high	86.1	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-29	-178.9	-82.2	-88.7	0	0	0	113	A169 A173 P175 L218 L235 C237 I239 H244 H271 V272	A169-F246 HydrophobicContact CB-CB 4.44Å; A169-F246 HydrophobicContact CB-CD1 3.41Å; A169-F246 VanDerWaalsContact CB-CD1 3.41Å; A169-F246 HydrophobicContact CB-CD2 4.2Å; A169-F246 HydrophobicContact CB-CE1 3.53Å; A169-F246 HydrophobicContact CB-CE2 4.28Å; A169-F246 HydrophobicContact CB-CG 3.77Å; A169-F246 HydrophobicContact CB-CZ 3.96Å; A173-F246 HydrophobicContact CB-CE1 4.06Å; A173-F246 VanDerWaalsContact O-CD1 3.24Å; A173-F246 WeakPolarHBondContact O-CD1 3.33Å; P175-F246 HydrophobicContact CB-CD2 4.48Å; P175-F246 HydrophobicContact CB-CE1 4.49Å; P175-F246 HydrophobicContact CB-CE2 4.38Å; P175-F246 HydrophobicContact CB-CZ 4.38Å; P175-F246 VanDerWaalsContact CD-CD1 3.44Å; P175-F246 HydrophobicContact CG-CB 4.08Å; P175-F246 HydrophobicContact CG-CD1 3.68Å; P175-F246 HydrophobicContact CG-CD2 3.85Å; P175-F246 HydrophobicContact CG-CE1 4.01Å; P175-F246 HydrophobicContact CG-CE2 4.18Å; P175-F246 HydrophobicContact CG-CG 3.59Å; P175-F246 HydrophobicContact CG-CZ 4.25Å; L218-F246 HydrophobicContact CD1-CB 3.6Å; L218-F246 HydrophobicContact CD1-CD1 4.46Å; L218-F246 HydrophobicContact CD1-CG 4.48Å; L235-F246 HydrophobicContact CD2-CB 4.31Å; L235-F246 PolarHBondContact O-N 3.2Å; C237-F246 HydrophobicContact CB-CD2 3.85Å; C237-F246 HydrophobicContact CB-CE2 3.85Å; I239-F246 HydrophobicContact CD1-CE2 3.68Å; I239-F246 HydrophobicContact CD1-CZ 3.53Å; H244-F246 HydrophobicContact CB-CD2 4.31Å; H244-F246 HydrophobicContact CB-CE2 3.82Å; H244-F246 WeakPolarHBondContact O-CD2 3.4Å; F246-H271 PolarHBondContact O-CD2 3.08Å; F246-V272 PolarHBondContact O-N 3.05Å; F246-V272 VanDerWaalsContact O-N 3.15Å
247	G	97.4	Very high	83.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	-177.9	178.8	0	0	0	0	0	114.6	L235 Q245 G270	L235-G247 PolarHBondContact N-O 2.81Å; Q245-G247 WeakPolarHBondContact CG-O 3.32Å; Q245-G247 PolarHBondContact NE2-O 3.43Å; Q245-G247 VanDerWaalsContact NE2-O 3.14Å; G247-G270 CarbonylContact C-O 3.27Å; G247-G270 WeakPolarHBondContact CA-O 2.96Å
248	V	97.4	Very high	80.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.1	176.9	176.7	0	0	0	0	108.3	L88 T89 A90 V148 L250 Y269 G270	L88-V248 HydrophobicContact CD2-CG2 3.86Å; L88-V248 HydrophobicContact CG-CG2 3.71Å; T89-V248 VanDerWaalsContact C-CG1 3.46Å; A90-V248 HydrophobicContact CB-CG1 4.35Å; V148-V248 HydrophobicContact CG1-CB 4.26Å; V148-V248 HydrophobicContact CG1-CG2 3.83Å; V148-V248 HydrophobicContact CG2-CB 4.34Å; V248-L250 HydrophobicContact CG1-CD2 4.01Å; V248-L250 WeakPolarHBondContact O-CG 3.29Å; V248-L250 PolarHBondContact O-N 3.3Å; V248-Y269 CarbonylContact O-C 3.53Å; V248-Y269 WeakPolarHBondContact O-CA 3.28Å; V248-G270 PolarHBondContact N-O 3.01Å; V248-G270 PolarHBondContact O-N 3.36Å
249	Y	95	Very high	78.7	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.2	179	176.7	-99.8	0	0	0	111.1	T227 S230 G232 G233 S251 Q252 H267 Y269	T227-Y249 VanDerWaalsContact O-CE1 3.28Å; T227-Y249 WeakPolarHBondContact O-CE1 3.33Å; T227-Y249 PolarHBondContact O-OH 3.16Å; T227-Y249 PolarHBondContact OG1-OH 3Å; S230-Y249 WeakPolarHBondContact O-CD1 2.97Å; G232-Y249 PolarHBondContact N-O 2.02Å; G233-Y249 PolarHBondContact O-N 3.07Å; Y249-S251 WeakPolarHBondContact CE2-O 3.04Å; Y249-Q252 PolarHBondContact OH-N 2.82Å; Y249-Q252 VanDerWaalsContact OH-N 3.13Å; Y249-H267 HydrophobicContact CD2-CB 3.9Å; Y249-H267 AromaticContact CD2-CG 3.93Å; Y249-H267 AromaticContact CD2-ND1 3.68Å; Y249-H267 HydrophobicContact CE2-CB 3.62Å; Y249-H267 AromaticContact CE2-CD2 3.88Å; Y249-H267 AromaticContact CE2-CE1 3.83Å; Y249-H267 AromaticContact CE2-CG 3.3Å; Y249-H267 AromaticContact CE2-ND1 3.22Å; Y249-H267 WeakPolarHBondContact CE2-ND1 3.22Å; Y249-H267 AromaticContact CZ-ND1 3.97Å; Y249-Y269 VanDerWaalsContact CA-CD1 3.47Å; Y249-Y269 HydrophobicContact CD2-CD1 4.34Å; Y249-Y269 AromaticContact CD2-CE1 3.94Å; Y249-Y269 HydrophobicContact CD2-CE1 3.94Å; Y249-Y269 HydrophobicContact CG-CE1 4.25Å
250	L	92.7	Very high	76.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-39.2	-178.1	-57.4	-172.3	0	0	0	113.1	A90 Y137 G147 V148 L231 V248 F268	A90-L250 HydrophobicContact CB-CD2 3.51Å; Y137-L250 HydrophobicContact CD2-CD1 4.02Å; Y137-L250 HydrophobicContact CE2-CD1 3.6Å; G147-L250 VanDerWaalsContact O-CD2 3.25Å; G147-L250 WeakPolarHBondContact O-CD2 3.48Å; V148-L250 HydrophobicContact CG2-CD1 4.38Å; L231-L250 WeakPolarHBondContact CD1-O 3.29Å; V248-L250 HydrophobicContact CG1-CD2 4.01Å; V248-L250 WeakPolarHBondContact O-CG 3.29Å; V248-L250 PolarHBondContact O-N 3.3Å; L250-F268 HydrophobicContact CB-CD1 4.2Å; L250-F268 HydrophobicContact CD1-CD1 4.29Å; L250-F268 HydrophobicContact CD1-CE1 4.04Å; L250-F268 PolarHBondContact N-O 2.98Å
251	S	88.5	Confident	74.4	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	152.2	-174.2	-165.1	0	0	0	0	112.3	N141 I144 Y249 F268	N141-S251 PolarHBondContact ND2-OG 3.45Å; I144-S251 VanDerWaalsContact CG1-CB 3.44Å; Y249-S251 WeakPolarHBondContact CE2-O 3.04Å; S251-F268 PolarHBondContact O-N 2.86Å
252	Q	83.9	Confident	72.3	Confident	37 Å²	37	51.2 Å²	51.2	17%	0.173	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.5	163	-179.2	173.6	-62.2	0	0	108.8	A225 T227 Y249 I254 A265 L266	A225-Q252 VanDerWaalsContact CA-OE1 3.31Å; A225-Q252 PolarHBondContact O-OE1 3.15Å; T227-Q252 PolarHBondContact OG1-OE1 3.33Å; Y249-Q252 PolarHBondContact OH-N 2.82Å; Y249-Q252 VanDerWaalsContact OH-N 3.13Å; Q252-I254 HydrophobicContact CG-CG1 4.2Å; Q252-I254 PolarHBondContact O-N 3.14Å; Q252-A265 VanDerWaalsContact CD-CB 3.43Å; Q252-A265 HydrophobicContact CG-CB 3.79Å; Q252-L266 CarbonylContact C-O 3.52Å
253	L	76.3	Confident	70.2	Confident	11 Å²	11	55 Å²	55	6%	0.058	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.8	166	-56.1	179.8	0	0	0	108.1	I144 F209 L212 L266 F268	I144-L253 HydrophobicContact CD1-CD2 3.66Å; F209-L253 HydrophobicContact CD2-CD1 4.22Å; F209-L253 HydrophobicContact CE1-CB 4.2Å; F209-L253 HydrophobicContact CE1-CD2 4.29Å; F209-L253 HydrophobicContact CE2-CB 4.26Å; F209-L253 HydrophobicContact CE2-CD1 4.13Å; F209-L253 HydrophobicContact CG-CD1 4.48Å; F209-L253 HydrophobicContact CZ-CB 3.79Å; F209-L253 HydrophobicContact CZ-CD1 4.32Å; F209-L253 HydrophobicContact CZ-CG 4.47Å; L212-L253 HydrophobicContact CD1-CD1 3.47Å; L212-L253 VanDerWaalsContact CD1-CD1 3.47Å; L212-L253 HydrophobicContact CD1-CD2 3.88Å; L212-L253 HydrophobicContact CD1-CG 4.34Å; L253-L266 WeakPolarHBondContact CA-O 3.22Å; L253-L266 HydrophobicContact CB-CB 4Å; L253-L266 HydrophobicContact CB-CD2 4.02Å; L253-L266 HydrophobicContact CB-CG 4.12Å; L253-L266 WeakPolarHBondContact CB-O 3.09Å; L253-L266 HydrophobicContact CD1-CD2 3.53Å; L253-L266 HydrophobicContact CD1-CG 3.91Å; L253-L266 HydrophobicContact CG-CD2 4.37Å; L253-L266 HydrophobicContact CG-CG 4.46Å; L253-L266 PolarHBondContact N-O 2.89Å; L253-F268 HydrophobicContact CD1-CB 4.02Å; L253-F268 HydrophobicContact CD1-CD2 4.41Å; L253-F268 HydrophobicContact CD2-CB 4.06Å; L253-F268 HydrophobicContact CG-CB 3.88Å
254	I	60.4	Low	68.3	Low	112 Å²	112	57.7 Å²	57.7	57%	0.574	27%	0.274	S	S	*	.			trans	-93.6	111	176.3	-56	170.6	0	0	0	106.8	Q252 K256	Q252-I254 HydrophobicContact CG-CG1 4.2Å; Q252-I254 PolarHBondContact O-N 3.14Å; I254-K256 PolarHBondContact O-N 2.91Å; I254-K256 VanDerWaalsContact O-N 3.07Å
255	T	51.7	Low	67.1	Low	40 Å²	40	55.9 Å²	55.9	25%	0.245	27%	0.266	C	S	.	.			trans	-65.1	108.9	154.9	50.5	0	0	0	0	105.5	K257	T255-K257 PolarHBondContact O-N 3.1Å
256	K	41.3	Very low	66.3	Low	148 Å²	148	57 Å²	57	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	112.9	-174	-76.9	176.9	171.7	174.4	0	110.1	I254 T258 G397	I254-K256 PolarHBondContact O-N 2.91Å; I254-K256 VanDerWaalsContact O-N 3.07Å; K256-T258 PolarHBondContact O-N 2.68Å; K256-G397 VanDerWaalsContact O-CA 3.24Å; K256-G397 WeakPolarHBondContact O-CA 3.4Å; K256-G397 PolarHBondContact O-N 3.09Å
257	K	40.9	Very low	65.8	Low	152 Å²	152	56.7 Å²	56.7	66%	0.661	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	23.6	160.3	-79.6	-177.2	172.4	179.9	0	119.8	T255 N398	T255-K257 PolarHBondContact O-N 3.1Å; K257-N398 VanDerWaalsContact CD-OD1 3.31Å; K257-N398 WeakPolarHBondContact CD-OD1 3.38Å
258	T	40.8	Very low	65.5	Low	33 Å²	33	56.7 Å²	56.7	20%	0.202	27%	0.271	C	S	.	.			trans	-94.5	-7	176.9	35.1	0	0	0	0	116.4	K256	K256-T258 PolarHBondContact O-N 2.68Å
259	L	46.5	Very low	65.4	Low	48 Å²	48	56.7 Å²	56.7	25%	0.251	27%	0.271	S	S	.	.			trans	-107.6	84.7	-173.8	-68	163.3	0	0	0	113	F261 Q264	L259-F261 PolarHBondContact O-N 2.94Å; L259-Q264 HydrophobicContact CD1-CB 3.97Å; L259-Q264 WeakPolarHBondContact CD1-O 3.24Å
260	S	38.7	Very low	65.3	Low	46 Å²	46	56.4 Å²	56.4	32%	0.322	27%	0.27	S	S	.	.	S	Bend	trans	-61.7	125.1	166.4	-155	0	0	0	0	110.4	H262	S260-H262 PolarHBondContact O-N 3.4Å
261	F	46.8	Very low	65.5	Low	189 Å²	189	56.4 Å²	56.4	83%	0.829	27%	0.27	S	S	*	.	S	Bend	trans	58.5	-19.1	172.8	-59.5	-74.8	0	0	0	122.3	L259	L259-F261 PolarHBondContact O-N 2.94Å
262	H	42.7	Very low	65.8	Low	141 Å²	141	56.2 Å²	56.2	65%	0.653	27%	0.269	S	S	*	.	S	Bend	trans	-125.7	97.3	165.2	-67.9	-70.1	0	0	0	109.1	S260 Q264	S260-H262 PolarHBondContact O-N 3.4Å; H262-Q264 VanDerWaalsContact C-N 3.3Å; H262-Q264 PolarHBondContact O-N 3.05Å
263	K	47.2	Very low	66.3	Low	140 Å²	140	55.2 Å²	55.2	61%	0.609	27%	0.265	S	S	*	.			trans	-70.4	81.3	-177.3	-55.6	177.4	-178.9	179.3	0	109.8	A225 A265	A225-K263 HydrophobicContact CB-CB 3.38Å; A225-K263 HydrophobicContact CB-CD 3.5Å; A225-K263 HydrophobicContact CB-CG 4.09Å; K263-A265 PolarHBondContact O-N 3.24Å; K263-A265 VanDerWaalsContact O-N 3.15Å
264	Q	56.1	Low	67	Low	55 Å²	55	54.8 Å²	54.8	26%	0.257	26%	0.263	S	S	.	.			trans	-64.7	114	162.7	-69.8	-174.7	4.8	0	0	107.8	H222 L259 H262	H222-Q264 WeakPolarHBondContact O-CA 3.23Å; L259-Q264 HydrophobicContact CD1-CB 3.97Å; L259-Q264 WeakPolarHBondContact CD1-O 3.24Å; H262-Q264 VanDerWaalsContact C-N 3.3Å; H262-Q264 PolarHBondContact O-N 3.05Å
265	A	70.3	Confident	68.5	Low	3 Å²	3	49.5 Å²	49.5	3%	0.025	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137	178.2	0	0	0	0	0	108.9	H222 A225 Q252 K263	H222-A265 HydrophobicContact CB-CB 4.2Å; H222-A265 PolarHBondContact N-O 3.43Å; H222-A265 PolarHBondContact O-N 3.14Å; A225-A265 HydrophobicContact CB-CB 4.07Å; Q252-A265 VanDerWaalsContact CD-CB 3.43Å; Q252-A265 HydrophobicContact CG-CB 3.79Å; K263-A265 PolarHBondContact O-N 3.24Å; K263-A265 VanDerWaalsContact O-N 3.15Å
266	L	79.6	Confident	70.3	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.12	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.7	168.1	179.8	69	0	0	0	107.3	V199 F206 F209 C219 Q252 L253	V199-L266 HydrophobicContact CG1-CD1 3.53Å; F206-L266 HydrophobicContact CD2-CD2 4.01Å; F206-L266 HydrophobicContact CE2-CD1 4.29Å; F206-L266 HydrophobicContact CE2-CD2 3.78Å; F209-L266 HydrophobicContact CD2-CD2 4.39Å; F209-L266 HydrophobicContact CE2-CD2 3.82Å; C219-L266 HydrophobicContact CB-CD1 3.89Å; Q252-L266 CarbonylContact C-O 3.52Å; L253-L266 WeakPolarHBondContact CA-O 3.22Å; L253-L266 HydrophobicContact CB-CB 4Å; L253-L266 HydrophobicContact CB-CD2 4.02Å; L253-L266 HydrophobicContact CB-CG 4.12Å; L253-L266 WeakPolarHBondContact CB-O 3.09Å; L253-L266 HydrophobicContact CD1-CD2 3.53Å; L253-L266 HydrophobicContact CD1-CG 3.91Å; L253-L266 HydrophobicContact CG-CD2 4.37Å; L253-L266 HydrophobicContact CG-CG 4.46Å; L253-L266 PolarHBondContact N-O 2.89Å
267	H	87.9	Confident	72.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.9	177.9	-78.2	-164.3	0	0	0	110.6	C219 S220 H222 T227 Y249 Y269	C219-H267 VanDerWaalsContact CA-O 3.25Å; C219-H267 WeakPolarHBondContact CA-O 3.34Å; S220-H267 PolarHBondContact N-O 3.19Å; S220-H267 PolarHBondContact O-N 3.1Å; H222-H267 AromaticContact CD2-CD2 3.69Å; H222-H267 AromaticContact CD2-CE1 3.55Å; H222-H267 AromaticContact CD2-CG 3.16Å; H222-H267 AromaticContact CD2-ND1 3.13Å; H222-H267 PolarHBondContact CD2-ND1 3.33Å; H222-H267 AromaticContact CD2-NE2 3.92Å; H222-H267 AromaticContact CE1-CE1 3.39Å; H222-H267 PolarHBondContact CE1-CE1 2.67Å; H222-H267 AromaticContact CE1-CG 3.9Å; H222-H267 AromaticContact CE1-ND1 3.04Å; H222-H267 PolarHBondContact CE1-ND1 3.02Å; H222-H267 AromaticContact CG-CD2 3.73Å; H222-H267 AromaticContact CG-CE1 3.13Å; H222-H267 AromaticContact CG-CG 3.56Å; H222-H267 AromaticContact CG-ND1 3.24Å; H222-H267 AromaticContact CG-NE2 3.49Å; H222-H267 AromaticContact ND1-CE1 3.04Å; H222-H267 PolarHBondContact ND1-CE1 3.46Å; H222-H267 AromaticContact ND1-ND1 3.21Å; H222-H267 PolarHBondContact ND1-ND1 3.09Å; H222-H267 AromaticContact ND1-NE2 3.85Å; H222-H267 AromaticContact NE2-CE1 3.69Å; H222-H267 AromaticContact NE2-CG 3.41Å; H222-H267 AromaticContact NE2-ND1 3Å; H222-H267 PolarHBondContact NE2-ND1 2.98Å; T227-H267 WeakPolarHBondContact CB-CE1 3.25Å; T227-H267 VanDerWaalsContact CB-NE2 3.33Å; T227-H267 WeakPolarHBondContact CB-NE2 3.24Å; T227-H267 WeakPolarHBondContact CG2-CE1 3.47Å; T227-H267 WeakPolarHBondContact CG2-NE2 3.09Å; T227-H267 PolarHBondContact OG1-CE1 2.86Å; T227-H267 PolarHBondContact OG1-NE2 3.15Å; Y249-H267 HydrophobicContact CD2-CB 3.9Å; Y249-H267 AromaticContact CD2-CG 3.93Å; Y249-H267 AromaticContact CD2-ND1 3.68Å; Y249-H267 HydrophobicContact CE2-CB 3.62Å; Y249-H267 AromaticContact CE2-CD2 3.88Å; Y249-H267 AromaticContact CE2-CE1 3.83Å; Y249-H267 AromaticContact CE2-CG 3.3Å; Y249-H267 AromaticContact CE2-ND1 3.22Å; Y249-H267 WeakPolarHBondContact CE2-ND1 3.22Å; Y249-H267 AromaticContact CZ-ND1 3.97Å; H267-Y269 HydrophobicContact CB-CD2 4.46Å; H267-Y269 HydrophobicContact CB-CE2 3.58Å
268	F	90.8	Very high	74.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	174.2	-177.6	-95.7	0	0	0	110.9	Y137 I144 C204 L212 T215 L250 S251 L253	Y137-F268 HydrophobicContact CD2-CE1 4.41Å; Y137-F268 AromaticContact CE2-CE1 3.99Å; Y137-F268 HydrophobicContact CE2-CE1 3.99Å; Y137-F268 HydrophobicContact CE2-CZ 4.37Å; I144-F268 HydrophobicContact CD1-CB 4.34Å; I144-F268 HydrophobicContact CD1-CD1 4.11Å; I144-F268 HydrophobicContact CD1-CG 4.17Å; I144-F268 HydrophobicContact CG1-CD1 4.1Å; I144-F268 HydrophobicContact CG2-CD1 3.95Å; I144-F268 HydrophobicContact CG2-CE1 3.65Å; I144-F268 HydrophobicContact CG2-CZ 4.31Å; C204-F268 HydrophobicContact CB-CD2 3.95Å; C204-F268 HydrophobicContact CB-CE2 3.88Å; C204-F268 WeakPolarHBondContact SG-CD2 3.12Å; C204-F268 VanDerWaalsContact SG-CE2 3.59Å; L212-F268 HydrophobicContact CB-CE2 4.23Å; L212-F268 HydrophobicContact CD1-CD2 3.75Å; L212-F268 HydrophobicContact CD1-CE2 4.07Å; L212-F268 HydrophobicContact CD2-CD2 4.04Å; L212-F268 HydrophobicContact CD2-CE2 3.76Å; L212-F268 HydrophobicContact CD2-CZ 4.14Å; L212-F268 HydrophobicContact CG-CD2 4.39Å; L212-F268 HydrophobicContact CG-CE2 4.23Å; T215-F268 HydrophobicContact CG2-CZ 4.39Å; T215-F268 WeakPolarHBondContact OG1-CZ 3.31Å; L250-F268 HydrophobicContact CB-CD1 4.2Å; L250-F268 HydrophobicContact CD1-CD1 4.29Å; L250-F268 HydrophobicContact CD1-CE1 4.04Å; L250-F268 PolarHBondContact N-O 2.98Å; S251-F268 PolarHBondContact O-N 2.86Å; L253-F268 HydrophobicContact CD1-CB 4.02Å; L253-F268 HydrophobicContact CD1-CD2 4.41Å; L253-F268 HydrophobicContact CD2-CB 4.06Å; L253-F268 HydrophobicContact CG-CB 3.88Å
269	Y	94.5	Very high	75.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.4	176.5	-55.1	-97.7	0	0	0	109.7	V183 G217 L218 S220 H222 L235 V248 Y249 H267	V183-Y269 HydrophobicContact CB-CE1 4.21Å; V183-Y269 HydrophobicContact CG2-CE1 3.78Å; G217-Y269 CarbonylContact C-O 3.46Å; G217-Y269 VanDerWaalsContact CA-O 3.24Å; G217-Y269 WeakPolarHBondContact CA-O 3.19Å; L218-Y269 PolarHBondContact N-O 2.85Å; L218-Y269 VanDerWaalsContact O-CD2 3.31Å; L218-Y269 WeakPolarHBondContact O-CD2 3.08Å; L218-Y269 PolarHBondContact O-N 2.74Å; S220-Y269 VanDerWaalsContact OG-CE2 3.24Å; S220-Y269 WeakPolarHBondContact OG-CE2 3.37Å; S220-Y269 PolarHBondContact OG-OH 3.31Å; H222-Y269 PolarHBondContact CE1-OH 3.02Å; H222-Y269 PolarHBondContact NE2-OH 3.44Å; L235-Y269 HydrophobicContact CB-CD1 3.53Å; L235-Y269 HydrophobicContact CB-CE1 3.74Å; L235-Y269 HydrophobicContact CB-CG 4.12Å; L235-Y269 HydrophobicContact CD1-CE1 4.2Å; L235-Y269 HydrophobicContact CD2-CD1 4.18Å; L235-Y269 HydrophobicContact CD2-CD2 4.08Å; L235-Y269 HydrophobicContact CD2-CE2 4.48Å; L235-Y269 HydrophobicContact CD2-CG 3.93Å; L235-Y269 HydrophobicContact CG-CD1 4.32Å; L235-Y269 HydrophobicContact CG-CE1 4.37Å; V248-Y269 CarbonylContact O-C 3.53Å; V248-Y269 WeakPolarHBondContact O-CA 3.28Å; Y249-Y269 VanDerWaalsContact CA-CD1 3.47Å; Y249-Y269 HydrophobicContact CD2-CD1 4.34Å; Y249-Y269 AromaticContact CD2-CE1 3.94Å; Y249-Y269 HydrophobicContact CD2-CE1 3.94Å; Y249-Y269 HydrophobicContact CG-CE1 4.25Å; H267-Y269 HydrophobicContact CB-CD2 4.46Å; H267-Y269 HydrophobicContact CB-CE2 3.58Å
270	G	94.5	Very high	76.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.7	167.7	0	0	0	0	0	109.7	Y137 G247 V248	Y137-G270 WeakPolarHBondContact OH-CA 3.27Å; G247-G270 CarbonylContact C-O 3.27Å; G247-G270 WeakPolarHBondContact CA-O 2.96Å; V248-G270 PolarHBondContact N-O 3.01Å; V248-G270 PolarHBondContact O-N 3.36Å
271	H	95.6	Very high	77.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.2	-179.1	-167.9	-87.3	0	0	0	110.9	Y137 G170 Y172 A173 F246 S273 T274	Y137-H271 PolarHBondContact OH-N 2.88Å; G170-H271 PolarHBondContact O-CE1 3.13Å; Y172-H271 WeakPolarHBondContact CA-CE1 3.38Å; Y172-H271 HydrophobicContact CD1-CB 4.09Å; Y172-H271 AromaticContact CD1-CG 3.87Å; Y172-H271 AromaticContact CD1-ND1 3.9Å; Y172-H271 HydrophobicContact CE1-CB 4.13Å; Y172-H271 PolarHBondContact N-CE1 2.66Å; A173-H271 PolarHBondContact N-NE2 2.68Å; A173-H271 PolarHBondContact O-NE2 3.16Å; F246-H271 PolarHBondContact O-CD2 3.08Å; H271-S273 PolarHBondContact CE1-OG 2.92Å; H271-S273 WeakPolarHBondContact ND1-CB 3.34Å; H271-S273 PolarHBondContact ND1-N 2.76Å; H271-S273 VanDerWaalsContact ND1-N 3.15Å; H271-S273 PolarHBondContact ND1-OG 2.82Å; H271-S273 PolarHBondContact O-N 2.87Å; H271-T274 HydrophobicContact CB-CG2 4.34Å; H271-T274 WeakPolarHBondContact O-CB 3.34Å; H271-T274 PolarHBondContact O-N 2.97Å; H271-T274 VanDerWaalsContact O-N 3.13Å; H271-T274 PolarHBondContact O-OG1 2.96Å
272	V	96	Very high	78.1	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.9	-176.6	-67.5	0	0	0	0	113.8	L88 L168 A169 Q245 F246 T274 A275 F276	L88-V272 HydrophobicContact CD2-CB 4Å; L88-V272 HydrophobicContact CD2-CG1 3.6Å; L168-V272 HydrophobicContact CD2-CB 4.05Å; L168-V272 HydrophobicContact CD2-CG1 4.05Å; L168-V272 HydrophobicContact CD2-CG2 4.37Å; A169-V272 HydrophobicContact CB-CG2 4.3Å; Q245-V272 HydrophobicContact CB-CG1 4.36Å; Q245-V272 HydrophobicContact CG-CG1 3.76Å; Q245-V272 WeakPolarHBondContact O-CG1 3.38Å; F246-V272 PolarHBondContact O-N 3.05Å; F246-V272 VanDerWaalsContact O-N 3.15Å; V272-T274 PolarHBondContact O-N 2.85Å; V272-A275 WeakPolarHBondContact O-CB 3.41Å; V272-A275 PolarHBondContact O-N 2.95Å; V272-F276 WeakPolarHBondContact O-CD2 3.17Å
273	S	93.1	Very high	78.9	Confident	15 Å²	15	36.8 Å²	36.8	11%	0.105	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.9	178.6	-51.1	0	0	0	0	112.8	E171 Y172 H271 A275 F276 E277	E171-S273 WeakPolarHBondContact CA-OG 3.49Å; Y172-S273 PolarHBondContact N-OG 2.86Å; Y172-S273 VanDerWaalsContact N-OG 3.14Å; H271-S273 PolarHBondContact CE1-OG 2.92Å; H271-S273 WeakPolarHBondContact ND1-CB 3.34Å; H271-S273 PolarHBondContact ND1-N 2.76Å; H271-S273 VanDerWaalsContact ND1-N 3.15Å; H271-S273 PolarHBondContact ND1-OG 2.82Å; H271-S273 PolarHBondContact O-N 2.87Å; S273-A275 PolarHBondContact O-N 3.34Å; S273-A275 VanDerWaalsContact O-N 3.09Å; S273-F276 PolarHBondContact O-N 2.83Å; S273-E277 PolarHBondContact O-N 2.95Å
274	T	91.4	Very high	79.9	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.012	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.3	-178.7	62.7	0	0	0	0	113.1	M135 Y137 V148 Y172 H271 V272 F276	M135-T274 VanDerWaalsContact CB-O 3.25Å; M135-T274 WeakPolarHBondContact CB-O 3.19Å; M135-T274 WeakPolarHBondContact CG-O 3.24Å; Y137-T274 HydrophobicContact CE1-CG2 4.05Å; Y137-T274 VanDerWaalsContact OH-CG2 3.32Å; Y137-T274 WeakPolarHBondContact OH-CG2 3.28Å; V148-T274 WeakPolarHBondContact CG2-OG1 3.1Å; Y172-T274 HydrophobicContact CE1-CG2 4.17Å; H271-T274 HydrophobicContact CB-CG2 4.34Å; H271-T274 WeakPolarHBondContact O-CB 3.34Å; H271-T274 PolarHBondContact O-N 2.97Å; H271-T274 VanDerWaalsContact O-N 3.13Å; H271-T274 PolarHBondContact O-OG1 2.96Å; V272-T274 PolarHBondContact O-N 2.85Å; T274-F276 PolarHBondContact O-N 3.33Å
275	A	91.6	Very high	81	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.008	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-69.3	-19.7	179.2	0	0	0	0	0	113.8	L88 V148 V272 S273	L88-A275 HydrophobicContact CD1-CB 3.44Å; L88-A275 VanDerWaalsContact CD1-CB 3.44Å; V148-A275 HydrophobicContact CB-CB 4.49Å; V148-A275 HydrophobicContact CG1-CB 3.85Å; V272-A275 WeakPolarHBondContact O-CB 3.41Å; V272-A275 PolarHBondContact O-N 2.95Å; S273-A275 PolarHBondContact O-N 3.34Å; S273-A275 VanDerWaalsContact O-N 3.09Å
276	F	89.8	Confident	81.9	Confident	85 Å²	85	37.7 Å²	37.7	37%	0.373	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-108.3	-4.6	-175.3	-55.7	-77.3	0	0	0	113.2	I71 L150 L168 V272 S273 T274	I71-F276 HydrophobicContact CD1-CE1 4.3Å; I71-F276 HydrophobicContact CD1-CZ 3.67Å; L150-F276 HydrophobicContact CD1-CE1 4.46Å; L150-F276 HydrophobicContact CD2-CD1 4.43Å; L150-F276 HydrophobicContact CD2-CE1 3.98Å; L168-F276 HydrophobicContact CD1-CE2 3.59Å; L168-F276 HydrophobicContact CD1-CZ 3.6Å; V272-F276 WeakPolarHBondContact O-CD2 3.17Å; S273-F276 PolarHBondContact O-N 2.83Å; T274-F276 PolarHBondContact O-N 3.33Å
277	E	85.5	Confident	82.4	Confident	39 Å²	39	38.2 Å²	38.2	18%	0.182	23%	0.23	C	C	.	.			trans	-66.9	148.6	176.1	-66.4	177.8	144.9	0	0	111.2	R133 M135 Y172 S273 P281	R133-E277 PolarHBondContact NH2-O 2.74Å; M135-E277 HydrophobicContact CE-CB 3.87Å; M135-E277 WeakPolarHBondContact CE-O 3.25Å; Y172-E277 WeakPolarHBondContact CE2-OE1 3.35Å; Y172-E277 VanDerWaalsContact CZ-OE1 3.31Å; Y172-E277 PolarHBondContact OH-OE1 2.99Å; Y172-E277 PolarHBondContact OH-OE2 2.04Å; S273-E277 PolarHBondContact O-N 2.95Å; E277-P281 WeakPolarHBondContact OE2-CD 3.28Å; E277-P281 WeakPolarHBondContact OE2-CG 2.97Å
278	T	79	Confident	82.7	Confident	107 Å²	107	42.2 Å²	42.2	66%	0.656	25%	0.248	S	C	*	.	S	Bend	trans	-83.5	-33.2	175.1	49.6	0	0	0	0	111.7	V286	T278-V286 WeakPolarHBondContact O-CG2 3.39Å
279	N	70.6	Confident	82.9	Confident	128 Å²	128	43.5 Å²	43.5	68%	0.684	26%	0.255	S	S	*	.	S	Bend	trans	-127	140.6	179.8	-64.4	-32.8	0	0	0	109.7
280	S	65.3	Low	82.7	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.084	28%	0.276	C	S	.	.			trans	-71	136.5	175	177.4	0	0	0	0	110.6	P136 T282 G283 S284	P136-S280 PolarHBondContact O-OG 3.37Å; S280-T282 PolarHBondContact O-N 3.39Å; S280-T282 PolarHBondContact OG-N 3.29Å; S280-T282 PolarHBondContact OG-OG1 3.08Å; S280-G283 PolarHBondContact O-N 2.73Å; S280-S284 WeakPolarHBondContact CB-O 3.42Å
281	P	59	Low	82.1	Confident	64 Å²	64	49.5 Å²	49.5	42%	0.416	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.8	172.7	-22.9	32.1	0	0	0	113.1	E277	E277-P281 WeakPolarHBondContact OE2-CD 3.28Å; E277-P281 WeakPolarHBondContact OE2-CG 2.97Å
282	T	59.6	Low	80.6	Confident	28 Å²	28	52.7 Å²	52.7	17%	0.172	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	13.9	-180	67.1	0	0	0	0	113.5	D138 S280 S284	D138-T282 VanDerWaalsContact CB-CB 3.49Å; D138-T282 HydrophobicContact CB-CG2 4.24Å; D138-T282 WeakPolarHBondContact CB-OG1 3.31Å; D138-T282 PolarHBondContact N-OG1 3.03Å; S280-T282 PolarHBondContact O-N 3.39Å; S280-T282 PolarHBondContact OG-N 3.29Å; S280-T282 PolarHBondContact OG-OG1 3.08Å; T282-S284 VanDerWaalsContact C-N 3.29Å; T282-S284 PolarHBondContact O-N 2.95Å
283	G	59.3	Low	78.5	Confident	68 Å²	68	55.1 Å²	55.1	70%	0.701	35%	0.349	S	S	*	.	S	Bend	trans	75.4	8.3	175.7	0	0	0	0	0	115.7	S280	S280-G283 PolarHBondContact O-N 2.73Å
284	S	67.4	Low	76	Confident	29 Å²	29	57.9 Å²	57.9	20%	0.203	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-84.6	140.3	177.8	-65	0	0	0	0	112.7	S280 T282	S280-S284 WeakPolarHBondContact CB-O 3.42Å; T282-S284 VanDerWaalsContact C-N 3.29Å; T282-S284 PolarHBondContact O-N 2.95Å
285	N	80.6	Confident	73.2	Confident	144 Å²	144	67 Å²	67	77%	0.77	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-70.5	143.5	179	-70.3	-30.2	0	0	0	112.5	P136	P136-N285 WeakPolarHBondContact CG-O 3.24Å
286	V	89	Confident	70.2	Confident	43 Å²	43	72.3 Å²	72.3	26%	0.261	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-64.6	132	173	-176.8	0	0	0	0	110.3	R133 M135 T278	R133-V286 HydrophobicContact CG-CG1 3.75Å; M135-V286 HydrophobicContact CE-CG2 3.83Å; M135-V286 HydrophobicContact SD-CB 4.01Å; M135-V286 HydrophobicContact SD-CG1 3.6Å; M135-V286 HydrophobicContact SD-CG2 3.4Å; M135-V286 WeakPolarHBondContact SD-CG2 3.33Å; T278-V286 WeakPolarHBondContact O-CG2 3.39Å
287	I	91	Very high	67.3	Low	35 Å²	35	77.4 Å²	77.4	18%	0.179	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.6	178.7	-57.4	170.6	0	0	0	108.7	W102 I134 L289	W102-I287 HydrophobicContact CD2-CG2 4.35Å; W102-I287 HydrophobicContact CH2-CD1 4.16Å; W102-I287 HydrophobicContact CZ2-CD1 3.32Å; I134-I287 HydrophobicContact CB-CB 4.15Å; I134-I287 HydrophobicContact CD1-CG2 4.43Å; I134-I287 PolarHBondContact N-O 3.11Å; I134-I287 PolarHBondContact O-N 2.63Å; I287-L289 HydrophobicContact CG2-CD2 4.06Å; I287-L289 HydrophobicContact CG2-CG 4.38Å
288	Q	93.8	Very high	65	Low	84 Å²	84	80.9 Å²	80.9	39%	0.393	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.4	-179.9	-175.3	65.3	29.1	0	0	110.7	G290	Q288-G290 PolarHBondContact NE2-O 2.71Å
289	L	93.8	Very high	62.6	Low	26 Å²	26	80.7 Å²	80.7	14%	0.136	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	176.9	-49.6	175.4	0	0	0	109.4	F94 W102 P105 A131 I132 I134 I287	F94-L289 HydrophobicContact CB-CD1 4.42Å; W102-L289 HydrophobicContact CB-CD1 4.07Å; W102-L289 HydrophobicContact CB-CD2 3.81Å; W102-L289 HydrophobicContact CE3-CD1 4.31Å; W102-L289 HydrophobicContact CG-CD2 4.22Å; P105-L289 HydrophobicContact CG-CB 3.91Å; P105-L289 WeakPolarHBondContact CG-O 3.29Å; A131-L289 CarbonylContact C-O 3.52Å; A131-L289 VanDerWaalsContact CA-O 3.25Å; A131-L289 WeakPolarHBondContact CA-O 3.19Å; I132-L289 HydrophobicContact CB-CB 4.2Å; I132-L289 HydrophobicContact CB-CD1 4.4Å; I132-L289 HydrophobicContact CD1-CD1 4.44Å; I132-L289 PolarHBondContact N-O 3.17Å; I132-L289 PolarHBondContact O-N 3.38Å; I134-L289 HydrophobicContact CD1-CD1 3.94Å; I287-L289 HydrophobicContact CG2-CD2 4.06Å; I287-L289 HydrophobicContact CG2-CG 4.38Å
290	G	91.7	Very high	60.8	Low	43 Å²	43	81.1 Å²	81.1	44%	0.443	51%	0.51	S	S	.	.	S	Bend	trans	76.4	176.7	-175	0	0	0	0	0	113.8	Q288	Q288-G290 PolarHBondContact NE2-O 2.71Å
291	S	81.4	Confident	59.2	Low	83 Å²	83	84.9 Å²	84.9	58%	0.58	54%	0.536	S	S	*	.			trans	-108.5	126.9	-174.2	172.7	0	0	0	0	112.4	R130	R130-S291 PolarHBondContact NE-O 2.57Å
292	T	64.5	Low	57.9	Low	68 Å²	68	87.6 Å²	87.6	42%	0.417	56%	0.557	S	S	.	*			trans	-82.2	102.1	158.8	50	0	0	0	0	106	A131 A294	A131-T292 HydrophobicContact CB-CG2 3.76Å; T292-A294 PolarHBondContact O-N 2.93Å
293	G	50.9	Low	56.3	Low	53 Å²	53	90.8 Å²	90.8	55%	0.546	58%	0.58	S	S	.	*	S	Bend	trans	-72.1	65.4	-171	0	0	0	0	0	114.6	R130	R130-G293 VanDerWaalsContact NH2-CA 3.3Å
294	A	39.9	Very low	55	Low	74 Å²	74	93 Å²	93	61%	0.612	59%	0.585	S	S	*	*	S	Bend	trans	-152.8	123.9	161.5	0	0	0	0	0	107	T292	T292-A294 PolarHBondContact O-N 2.93Å
295	H	33.1	Very low	53.2	Low	193 Å²	193	97 Å²	97	89%	0.894	61%	0.612	S	S	*	*	S	Bend	trans	76.5	119.6	-174.6	-59.6	-70.4	0	0	0	118.2
296	S	29.7	Very low	50.8	Low	113 Å²	113	94.4 Å²	94.4	79%	0.79	61%	0.611	S	S	*	*			trans	-75.3	126.3	-175.9	-13.2	0	0	0	0	111.6
297	K	27.9	Very low	47.9	Very low	192 Å²	192	97.9 Å²	97.9	84%	0.835	64%	0.638	S	S	*	*			trans	61.7	154.4	151.6	-74.7	-174.7	-179	179.3	0	119.8
298	P	36.5	Very low	44.9	Very low	112 Å²	112	104.6 Å²	104.6	73%	0.727	67%	0.668	S	S	*	*			cis	-109	142.6	6.9	30.9	-15.3	0	0	0	114.4	V300	P298-V300 PolarHBondContact O-N 2.85Å
299	S	29.4	Very low	41.8	Very low	102 Å²	102	106.8 Å²	106.8	71%	0.713	69%	0.69	S	S	*	*			trans	-48.4	111.8	154.4	45.6	0	0	0	0	110.9	S301	S299-S301 PolarHBondContact O-N 2.84Å
300	V	32.1	Very low	38.5	Very low	138 Å²	138	114.7 Å²	114.7	84%	0.836	73%	0.726	S	S	*	*			trans	-78.6	102.6	151.8	-178	0	0	0	0	105.4	P298 S302	P298-V300 PolarHBondContact O-N 2.85Å; V300-S302 PolarHBondContact O-N 3Å; V300-S302 VanDerWaalsContact O-N 3.15Å
301	S	32.5	Very low	35.6	Very low	90 Å²	90	121.4 Å²	121.4	63%	0.629	75%	0.746	S	S	*	*			trans	-48.9	120.2	163.1	31.9	0	0	0	0	107.8	S299 S303	S299-S301 PolarHBondContact O-N 2.84Å; S301-S303 PolarHBondContact O-N 2.64Å
302	S	32.6	Very low	33.1	Very low	122 Å²	122	120.8 Å²	120.8	85%	0.853	75%	0.752	S	S	*	*			trans	-63.6	82.2	167.5	47.4	0	0	0	0	109.3	V300	V300-S302 PolarHBondContact O-N 3Å; V300-S302 VanDerWaalsContact O-N 3.15Å
303	S	26.2	Very low	31.6	Very low	94 Å²	94	122.8 Å²	122.8	66%	0.657	77%	0.768	S	S	*	*			trans	-125.7	56.8	159.1	67.5	0	0	0	0	108.6	S301 S305	S301-S303 PolarHBondContact O-N 2.64Å; S303-S305 PolarHBondContact O-N 3.28Å
304	S	31.6	Very low	30.7	Very low	116 Å²	116	126.6 Å²	126.6	81%	0.811	78%	0.78	S	S	*	*			trans	-86.3	73.1	156.7	51.7	0	0	0	0	107.8	A306	S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 3.25Å; S304-A306 VanDerWaalsContact O-N 3.08Å
305	S	29.4	Very low	30.5	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	79%	0.787	S	S	*	*			trans	-64.9	100.5	150.6	-59.2	0	0	0	0	105.2	S303 S307	S303-S305 PolarHBondContact O-N 3.28Å; S305-S307 PolarHBondContact O-N 3.3Å; S305-S307 VanDerWaalsContact O-N 3.14Å
306	A	30.2	Very low	30.8	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	78%	0.778	S	S	*	*			trans	-55.4	119.5	164.7	0	0	0	0	0	106.7	S304 E308	S304-A306 VanDerWaalsContact C-N 3.26Å; S304-A306 PolarHBondContact O-N 3.25Å; S304-A306 VanDerWaalsContact O-N 3.08Å; A306-E308 PolarHBondContact O-N 3.39Å
307	S	27.3	Very low	31.3	Very low	117 Å²	117	127 Å²	127	82%	0.818	78%	0.777	S	S	*	*			trans	-49.7	105.2	172.3	49.3	0	0	0	0	110.2	S305	S305-S307 PolarHBondContact O-N 3.3Å; S305-S307 VanDerWaalsContact O-N 3.14Å
308	E	28.4	Very low	31.8	Very low	175 Å²	175	123.5 Å²	123.5	82%	0.818	77%	0.774	S	S	*	*			trans	-73.5	144.4	149.2	-80	177.8	157.2	0	0	107.7	A306 Q310	A306-E308 PolarHBondContact O-N 3.39Å; E308-Q310 PolarHBondContact O-N 3.09Å; E308-Q310 VanDerWaalsContact O-N 3.09Å
309	P	27.7	Very low	31.9	Very low	131 Å²	131	123.5 Å²	123.5	85%	0.851	77%	0.774	S	S	*	*			trans	-67.5	111.8	-177.8	-4	19	0	0	0	109	E311	P309-E311 PolarHBondContact O-N 3.31Å; P309-E311 VanDerWaalsContact O-N 3.13Å
310	Q	26	Very low	32.8	Very low	192 Å²	192	125.2 Å²	125.2	90%	0.897	78%	0.782	S	S	*	*			trans	-73	102.5	167.9	-86.4	-176.6	-52.5	0	0	109	E308	E308-Q310 PolarHBondContact O-N 3.09Å; E308-Q310 VanDerWaalsContact O-N 3.09Å
311	E	29.2	Very low	33.3	Very low	183 Å²	183	122.3 Å²	122.3	86%	0.855	78%	0.78	S	S	*	*			trans	-51.4	130.5	158	-156.3	166.9	-163.3	0	0	109.3	P309 C313	P309-E311 PolarHBondContact O-N 3.31Å; P309-E311 VanDerWaalsContact O-N 3.13Å; E311-C313 PolarHBondContact O-N 2.97Å
312	G	29.6	Very low	33.9	Very low	70 Å²	70	127 Å²	127	72%	0.722	79%	0.792	S	S	*	*			trans	-63.4	116.2	-172.2	0	0	0	0	0	112.4	V314	G312-V314 PolarHBondContact O-N 3.33Å; G312-V314 VanDerWaalsContact O-N 3.14Å
313	C	32.4	Very low	34.5	Very low	110 Å²	110	132.8 Å²	132.8	74%	0.743	80%	0.795	S	S	*	*			trans	-64.6	110.7	172.4	-65.2	0	0	0	0	110.9	E311	E311-C313 PolarHBondContact O-N 2.97Å
314	V	33.3	Very low	35.6	Very low	133 Å²	133	133.9 Å²	133.9	81%	0.806	80%	0.8	S	S	*	*			trans	-76.3	111.8	160.7	176.7	0	0	0	0	107.4	G312	G312-V314 PolarHBondContact O-N 3.33Å; G312-V314 VanDerWaalsContact O-N 3.14Å
315	H	36	Very low	36.1	Very low	164 Å²	164	133.9 Å²	133.9	76%	0.759	80%	0.797	S	S	*	*			trans	-116.3	131	159.8	-86.7	-67.7	0	0	0	109.8
316	P	38	Very low	37.1	Very low	106 Å²	106	135 Å²	135	69%	0.688	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-73.4	153.2	-171.4	28.1	-33	0	0	0	112.6
317	P	40.5	Very low	37.7	Very low	120 Å²	120	134.4 Å²	134.4	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.6	146.8	-177.9	27.7	-33.6	0	0	0	112.4
318	P	38.5	Very low	38.7	Very low	117 Å²	117	140.3 Å²	140.3	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-71.9	153.2	176.4	28.6	-32.4	0	0	0	112.1
319	P	38.9	Very low	39.4	Very low	113 Å²	113	138 Å²	138	73%	0.734	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.1	-174.2	25.4	-32.9	0	0	0	113.7
320	P	47.6	Very low	40.1	Very low	137 Å²	137	136.1 Å²	136.1	89%	0.89	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	132.1	-170.9	-8.6	25.5	0	0	0	111.8
321	G	43.5	Very low	41.2	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.5	-14.1	162.5	0	0	0	0	0	117.8
322	H	44.8	Very low	42.1	Very low	188 Å²	188	129.2 Å²	129.2	87%	0.87	79%	0.792	S	S	*	*			trans	-98.6	106.8	178.9	-77.9	-66.5	0	0	0	112.4
323	R	45.7	Very low	42.8	Very low	244 Å²	244	131.9 Å²	131.9	92%	0.921	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.6	164.5	-79.4	-178.5	175.9	-179.7	-0.7	109
324	P	48.9	Very low	43.2	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75	146.8	174.5	14.4	-5.8	0	0	0	111
325	P	42.3	Very low	43.8	Very low	116 Å²	116	133.2 Å²	133.2	75%	0.753	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.1	149.8	179.3	27.3	-33.6	0	0	0	111.9
326	P	49.6	Very low	44	Very low	136 Å²	136	135.7 Å²	135.7	88%	0.883	81%	0.808	S	S	*	*	S	Bend	trans	-72.8	132.8	-172.2	30.4	-34.7	0	0	0	111.2
327	G	44.3	Very low	44	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	81%	0.809	S	S	*	*			trans	147.6	2.2	167.2	0	0	0	0	0	119.1
328	R	46.8	Very low	43.8	Very low	242 Å²	242	136.3 Å²	136.3	91%	0.913	81%	0.812	S	S	*	*			trans	-111.6	127.7	171.2	-90.7	-173.7	-178.2	-166.2	1.6	112.5
329	P	43.7	Very low	43.9	Very low	125 Å²	125	139.4 Å²	139.4	81%	0.812	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.4	136.4	175.7	-19.5	30.1	0	0	0	111.7
330	A	43.2	Very low	43.9	Very low	93 Å²	93	139 Å²	139	77%	0.769	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.4	139.1	178	0	0	0	0	0	111.4
331	P	48.5	Very low	43.7	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.2	155.6	172.1	26	-32.3	0	0	0	111.9
332	P	49	Very low	43.7	Very low	116 Å²	116	141 Å²	141	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.3	144.5	-174.2	23.5	-32.9	0	0	0	112.3	C334	P332-C334 PolarHBondContact O-N 3.18Å
333	P	43.3	Very low	43.5	Very low	126 Å²	126	138.5 Å²	138.5	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67.4	131.5	-173.8	25.4	-32.3	0	0	0	111.9	V335	P333-V335 PolarHBondContact O-N 2.99Å
334	C	41.9	Very low	43.9	Very low	127 Å²	127	132.9 Å²	132.9	86%	0.858	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.3	171.1	-61.3	0	0	0	0	110.3	P332 R336	P332-C334 PolarHBondContact O-N 3.18Å; C334-R336 PolarHBondContact O-N 2.95Å; C334-R336 VanDerWaalsContact O-N 3.07Å
335	V	44.8	Very low	43.6	Very low	143 Å²	143	132.3 Å²	132.3	87%	0.867	78%	0.78	S	S	*	*			trans	-68.3	104.9	171	-178.4	0	0	0	0	108.2	P333	P333-V335 PolarHBondContact O-N 2.99Å
336	R	39.5	Very low	43.7	Very low	216 Å²	216	133 Å²	133	82%	0.815	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.9	133.3	172.9	-110.1	178.1	-175.9	169.4	3.1	109.5	C334	C334-R336 PolarHBondContact O-N 2.95Å; C334-R336 VanDerWaalsContact O-N 3.07Å
337	P	38.5	Very low	43.5	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-60.7	150	165.4	-16.3	29	0	0	0	110.4	R339	P337-R339 PolarHBondContact O-N 3.02Å
338	P	37.6	Very low	43.5	Very low	130 Å²	130	131.6 Å²	131.6	84%	0.844	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-60.4	131.6	177.9	23.2	-31	0	0	0	111.1
339	R	40.4	Very low	43.7	Very low	183 Å²	183	125.8 Å²	125.8	69%	0.691	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-73	135.3	177.1	-162.3	175	-123.9	-144	6.4	108.5	P337 H342	P337-R339 PolarHBondContact O-N 3.02Å; R339-H342 WeakPolarHBondContact CD-NE2 3.49Å; R339-H342 PolarHBondContact NH1-CE1 2.89Å; R339-H342 PolarHBondContact NH1-NE2 3.04Å
340	P	38.5	Very low	44.4	Very low	104 Å²	104	128.7 Å²	128.7	68%	0.675	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.3	153.6	170.3	-6.6	18.1	0	0	0	110	H342	P340-H342 PolarHBondContact O-N 2.87Å
341	P	42	Very low	44.9	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.4	130.6	-179.4	21.3	-30.2	0	0	0	111.1
342	H	44	Very low	45.6	Very low	129 Å²	129	131.4 Å²	131.4	60%	0.597	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72.7	125.5	174.3	-88.7	-92.3	0	0	0	109.5	R339 P340 V344	R339-H342 WeakPolarHBondContact CD-NE2 3.49Å; R339-H342 PolarHBondContact NH1-CE1 2.89Å; R339-H342 PolarHBondContact NH1-NE2 3.04Å; P340-H342 PolarHBondContact O-N 2.87Å; H342-V344 PolarHBondContact O-N 2.82Å
343	V	42	Very low	45.7	Very low	136 Å²	136	131.2 Å²	131.2	82%	0.824	77%	0.771	S	S	*	*			trans	-75	113.9	169	177.9	0	0	0	0	107.4
344	V	52.9	Low	46.1	Very low	126 Å²	126	131.5 Å²	131.5	76%	0.764	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74.3	125.6	172.5	178.3	0	0	0	0	108.5	H342	H342-V344 PolarHBondContact O-N 2.82Å
345	P	41.9	Very low	47.3	Very low	105 Å²	105	136.7 Å²	136.7	68%	0.682	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.1	172.5	-13.9	27.6	0	0	0	110.6
346	P	45.8	Very low	47.7	Very low	129 Å²	129	134.9 Å²	134.9	84%	0.838	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-70.1	139.7	178	27.3	-31	0	0	0	111.5
347	G	44.6	Very low	48.9	Very low	63 Å²	63	130.3 Å²	130.3	65%	0.649	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.3	165.6	170.9	0	0	0	0	0	112.9
348	P	44.6	Very low	50.1	Low	120 Å²	120	133.7 Å²	133.7	78%	0.779	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-63.5	146.4	-178.6	26.1	-33.4	0	0	0	111.8
349	P	51.3	Low	51.4	Low	120 Å²	120	134 Å²	134	78%	0.779	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-74	133.2	-172	28	-32.8	0	0	0	112.4
350	H	59.1	Low	52.7	Low	186 Å²	186	131.3 Å²	131.3	86%	0.861	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.5	122.3	158.6	-83.4	-79.6	0	0	0	109.2
351	V	53.3	Low	53.7	Low	140 Å²	140	131.3 Å²	131.3	85%	0.848	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-74.4	119.8	175.5	178.2	0	0	0	0	109.1
352	V	61.9	Low	54.2	Low	125 Å²	125	131.4 Å²	131.4	76%	0.758	77%	0.774	S	S	*	*			trans	-126.5	137.7	167.9	-179.7	0	0	0	0	108.4
353	P	51.4	Low	55.4	Low	111 Å²	111	135.3 Å²	135.3	72%	0.721	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-72.1	162.3	-162.1	-12.5	28.3	0	0	0	114.6
354	P	52.3	Low	56.4	Low	133 Å²	133	133.8 Å²	133.8	86%	0.864	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-74.1	136.3	-167.1	29.6	-32.6	0	0	0	112.9
355	R	67.4	Low	56.9	Low	236 Å²	236	133.6 Å²	133.6	89%	0.891	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-102.7	142.4	166.7	-175.6	174.5	-97	-111.2	1.2	109.2
356	P	53.8	Low	58.2	Low	104 Å²	104	136.2 Å²	136.2	68%	0.675	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66	151.4	-161.7	-19.8	32.1	0	0	0	114.4	H358	P356-H358 PolarHBondContact O-N 3.49Å
357	P	63.5	Low	59.4	Low	120 Å²	120	136.5 Å²	136.5	78%	0.779	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.1	124	-176.3	28.2	-32.6	0	0	0	112.3
358	H	64.1	Low	60.8	Low	181 Å²	181	139.5 Å²	139.5	84%	0.838	79%	0.785	S	S	*	*			trans	-85.7	112.1	161.3	-80.1	-75.5	0	0	0	109.2	P356 V360	P356-H358 PolarHBondContact O-N 3.49Å; H358-V360 PolarHBondContact O-N 3.33Å
359	V	64.3	Low	61.8	Low	136 Å²	136	138.6 Å²	138.6	82%	0.824	78%	0.779	S	S	*	*			trans	-69.5	108.9	175.4	179.7	0	0	0	0	108.7
360	V	67.2	Low	62.5	Low	126 Å²	126	138.9 Å²	138.9	76%	0.764	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-102.3	124.7	171.4	-177.8	0	0	0	0	108.9	H358	H358-V360 PolarHBondContact O-N 3.33Å
361	P	59.4	Low	63	Low	105 Å²	105	141.3 Å²	141.3	68%	0.682	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.8	155.4	-169.7	16.9	-19.6	0	0	0	114.3
362	P	52.8	Low	63.5	Low	129 Å²	129	139.4 Å²	139.4	84%	0.838	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-73.3	135.8	-172.1	28.5	-32.4	0	0	0	112.8
363	R	69	Low	63.6	Low	211 Å²	211	138.8 Å²	138.8	80%	0.796	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-80	135.5	177	-179	177	-86.9	-117.5	-0.4	110.9
364	P	63.6	Low	64.3	Low	103 Å²	103	139.5 Å²	139.5	67%	0.669	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.7	151.7	-177.7	-17.1	29.4	0	0	0	113.7
365	P	64.3	Low	65	Low	122 Å²	122	142 Å²	142	79%	0.792	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70	130.1	-179.1	26.3	-31.3	0	0	0	112.2	V367	P365-V367 PolarHBondContact O-N 3.23Å
366	H	69.6	Low	65.1	Low	161 Å²	161	142 Å²	142	75%	0.745	78%	0.777	S	S	*	*			trans	-67.8	111.9	175	-80.5	-80.3	0	0	0	110.9	V368	H366-V368 PolarHBondContact O-N 2.74Å
367	V	70.2	Confident	66.4	Low	134 Å²	134	141.9 Å²	141.9	81%	0.812	78%	0.776	S	S	*	*			trans	-76.1	108.3	170.5	-178.8	0	0	0	0	108.6	P365 P369	P365-V367 PolarHBondContact O-N 3.23Å; V367-P369 WeakPolarHBondContact O-CD 3.28Å
368	V	73.9	Confident	67.7	Low	126 Å²	126	138.3 Å²	138.3	76%	0.764	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78.1	121.9	174.7	-179	0	0	0	0	109	H366	H366-V368 PolarHBondContact O-N 2.74Å
369	P	66.2	Low	69.1	Low	102 Å²	102	130 Å²	130	66%	0.662	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-61.8	147.7	179.7	-20.3	30.8	0	0	0	112.4	V367 R371	V367-P369 WeakPolarHBondContact O-CD 3.28Å; P369-R371 PolarHBondContact O-N 2.82Å
370	P	64.6	Low	70.6	Confident	126 Å²	126	127.2 Å²	127.2	82%	0.818	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-62.7	131.3	178.9	23.4	-30.7	0	0	0	111.3
371	R	70.5	Confident	72	Confident	236 Å²	236	121.2 Å²	121.2	89%	0.891	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.1	179.5	-178.8	-179.6	-87.8	-126.5	-0.5	109.8	P369	P369-R371 PolarHBondContact O-N 2.82Å
372	P	63.9	Low	73.8	Confident	100 Å²	100	116.2 Å²	116.2	65%	0.649	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55.2	148.7	175.3	-22.7	30.8	0	0	0	111.4
373	P	64.2	Low	75.7	Confident	112 Å²	112	111.9 Å²	111.9	73%	0.727	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-54.8	142.9	175.5	-16.6	26.1	0	0	0	110.1	Q375	P373-Q375 PolarHBondContact O-N 2.95Å
374	P	66.1	Low	76.9	Confident	127 Å²	127	101.9 Å²	101.9	83%	0.825	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.2	177.5	-21.7	30.6	0	0	0	110	R376	P374-R376 PolarHBondContact O-N 3.26Å
375	Q	65.8	Low	78.2	Confident	186 Å²	186	102.5 Å²	102.5	87%	0.869	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.4	123.3	175.6	-67	-175.3	1.7	0	0	108.1	P373	P373-Q375 PolarHBondContact O-N 2.95Å
376	R	70.4	Confident	79.4	Confident	235 Å²	235	98 Å²	98	89%	0.887	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57.6	134.3	176.6	-69.1	-177.9	-178.2	-179.5	1.4	108.3	P374 A378	P374-R376 PolarHBondContact O-N 3.26Å; R376-A378 PolarHBondContact O-N 3.15Å
377	P	81.5	Confident	80.4	Confident	102 Å²	102	92.5 Å²	92.5	66%	0.662	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-53.7	130.8	-180	-25.5	33	0	0	0	111	V379 T386	P377-V379 PolarHBondContact O-N 2.72Å; P377-T386 HydrophobicContact CB-CG2 4.44Å
378	A	90	Very high	81.3	Confident	44 Å²	44	89.6 Å²	89.6	36%	0.364	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-61.8	132.9	175.3	0	0	0	0	0	110	R376 Y380 A433	R376-A378 PolarHBondContact O-N 3.15Å; A378-Y380 HydrophobicContact CB-CD2 4.49Å; A378-Y380 HydrophobicContact CB-CE2 3.67Å; A378-A433 HydrophobicContact CB-CB 4.31Å
379	V	93.1	Very high	81.8	Confident	6 Å²	6	88.7 Å²	88.7	4%	0.036	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-91	128	174.8	-178.2	0	0	0	0	108.2	P377 T386 A433 V434 N435 R506 V511	P377-V379 PolarHBondContact O-N 2.72Å; V379-T386 HydrophobicContact CB-CG2 4.4Å; V379-T386 HydrophobicContact CG2-CG2 3.95Å; V379-A433 CarbonylContact O-C 3.53Å; V379-A433 VanDerWaalsContact O-CA 3.31Å; V379-A433 WeakPolarHBondContact O-CA 3.46Å; V379-V434 WeakPolarHBondContact CB-O 3.43Å; V379-V434 VanDerWaalsContact CG1-O 3.22Å; V379-V434 WeakPolarHBondContact CG1-O 3.02Å; V379-V434 PolarHBondContact O-N 3Å; V379-N435 WeakPolarHBondContact CB-OD1 3.32Å; V379-N435 WeakPolarHBondContact CG2-OD1 3.49Å; V379-R506 HydrophobicContact CG2-CG 4.46Å; V379-V511 HydrophobicContact CG1-CB 4.43Å; V379-V511 HydrophobicContact CG1-CG1 3.89Å; V379-V511 HydrophobicContact CG1-CG2 3.7Å
380	Y	95.9	Very high	82.8	Confident	78 Å²	78	86.9 Å²	86.9	31%	0.306	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-113.3	155.1	172.2	-62.9	-81.1	0	0	0	109.8	A378 R431 A433 V511	A378-Y380 HydrophobicContact CB-CD2 4.49Å; A378-Y380 HydrophobicContact CB-CE2 3.67Å; Y380-R431 VanDerWaalsContact CE1-O 3.28Å; Y380-R431 WeakPolarHBondContact CE1-O 3.46Å; Y380-A433 HydrophobicContact CE1-CB 4.23Å; Y380-V511 WeakPolarHBondContact O-CG1 3.03Å
381	C	97.1	Very high	83.8	Confident	1 Å²	1	81.1 Å²	81.1	1%	0.007	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	149.8	174.8	66.3	0	0	0	0	110.8	D383 H426 V434 P512 C514	C381-D383 PolarHBondContact O-N 2.9Å; C381-H426 HydrophobicContact CB-CB 3.59Å; C381-V434 HydrophobicContact CB-CG1 4.23Å; C381-P512 CarbonylContact C-O 3.48Å; C381-P512 WeakPolarHBondContact CA-O 2.97Å; C381-P512 HydrophobicContact CB-CG 4.49Å; C381-P512 WeakPolarHBondContact CB-O 3.28Å; C381-C514 HydrophobicContact CB-CB 4.09Å; C381-C514 WeakPolarHBondContact CB-SG 3.43Å; C381-C514 PolarHBondContact O-SG 2.63Å; C381-C514 WeakPolarHBondContact SG-CA 3.34Å; C381-C514 WeakPolarHBondContact SG-CB 3.36Å; C381-C514 CovalentContact SG-SG 2.05Å; C381-C514 PolarHBondContact SG-SG 2.96Å
382	G	96.3	Very high	84.2	Confident	0 Å²	0	74 Å²	74	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	12.1	174.8	0	0	0	0	0	115.1	P512 A592	G382-P512 PolarHBondContact N-O 2.86Å; G382-A592 WeakPolarHBondContact CA-O 3.18Å; G382-A592 WeakPolarHBondContact O-CB 3.17Å; G382-A592 PolarHBondContact O-N 3.4Å
383	D	94.3	Very high	84.9	Confident	37 Å²	37	71.8 Å²	71.8	20%	0.198	39%	0.393	C	S	.	.			trans	-118.9	133.4	179.4	-172	-5.2	0	0	0	110.3	C381 I385	C381-D383 PolarHBondContact O-N 2.9Å; D383-I385 WeakPolarHBondContact OD1-CB 3.21Å; D383-I385 WeakPolarHBondContact OD1-CG2 3.15Å; D383-I385 PolarHBondContact OD1-N 2.85Å; D383-I385 WeakPolarHBondContact OD2-CG2 3Å
384	T	92.9	Very high	85.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	36%	0.36	C	S	.	.			trans	-111.8	4.7	-177.7	60.1	0	0	0	0	113.5	T386 F387 R389 L391 Y394 P405 W406	T384-T386 PolarHBondContact O-N 3.22Å; T384-T386 VanDerWaalsContact O-N 3.11Å; T384-F387 WeakPolarHBondContact O-CA 3.22Å; T384-F387 WeakPolarHBondContact O-CB 3.34Å; T384-F387 PolarHBondContact O-N 2.77Å; T384-R389 CarbonylContact C-O 3.5Å; T384-R389 WeakPolarHBondContact CB-O 3.24Å; T384-R389 PolarHBondContact OG1-O 2.95Å; T384-L391 HydrophobicContact CG2-CD2 3.64Å; T384-L391 PolarHBondContact OG1-N 3.43Å; T384-Y394 HydrophobicContact CG2-CD2 4.42Å; T384-Y394 HydrophobicContact CG2-CE2 3.65Å; T384-P405 HydrophobicContact CG2-CG 3.83Å; T384-W406 HydrophobicContact CG2-CZ3 4.37Å
385	I	91.2	Very high	86.1	Confident	116 Å²	116	61.6 Å²	61.6	60%	0.595	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.9	-179.8	-161.6	166.5	0	0	0	112.3	D383 F387 G388 R389	D383-I385 WeakPolarHBondContact OD1-CB 3.21Å; D383-I385 WeakPolarHBondContact OD1-CG2 3.15Å; D383-I385 PolarHBondContact OD1-N 2.85Å; D383-I385 WeakPolarHBondContact OD2-CG2 3Å; I385-F387 PolarHBondContact O-N 2.84Å; I385-G388 WeakPolarHBondContact O-CA 3.34Å; I385-G388 PolarHBondContact O-N 2.9Å; I385-R389 PolarHBondContact N-O 3.16Å
386	T	90.7	Very high	85.8	Confident	29 Å²	29	56.4 Å²	56.4	18%	0.178	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-68.1	-12.3	175.6	68	0	0	0	0	113.7	P377 V379 T384 R506	P377-T386 HydrophobicContact CB-CG2 4.44Å; V379-T386 HydrophobicContact CB-CG2 4.4Å; V379-T386 HydrophobicContact CG2-CG2 3.95Å; T384-T386 PolarHBondContact O-N 3.22Å; T384-T386 VanDerWaalsContact O-N 3.11Å; T386-R506 PolarHBondContact O-NH2 2.94Å; T386-R506 PolarHBondContact OG1-NE 3.15Å
387	F	90.4	Very high	84.7	Confident	45 Å²	45	45.9 Å²	45.9	20%	0.197	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-94.3	4.9	167.5	-68	-83	0	0	0	112.7	T384 I385 R389 P405 R506 V511	T384-F387 WeakPolarHBondContact O-CA 3.22Å; T384-F387 WeakPolarHBondContact O-CB 3.34Å; T384-F387 PolarHBondContact O-N 2.77Å; I385-F387 PolarHBondContact O-N 2.84Å; F387-R389 VanDerWaalsContact C-N 3.28Å; F387-R389 PolarHBondContact O-N 3.4Å; F387-P405 HydrophobicContact CE2-CB 3.75Å; F387-P405 HydrophobicContact CE2-CG 4.03Å; F387-P405 HydrophobicContact CZ-CB 4.05Å; F387-R506 VanDerWaalsContact CZ-CZ 3.5Å; F387-V511 HydrophobicContact CD2-CG2 4.34Å; F387-V511 HydrophobicContact CE2-CB 4.2Å; F387-V511 HydrophobicContact CE2-CG2 3.49Å; F387-V511 VanDerWaalsContact CE2-CG2 3.49Å; F387-V511 HydrophobicContact CZ-CG2 4.16Å
388	G	87.9	Confident	82.8	Confident	72 Å²	72	46.1 Å²	46.1	74%	0.742	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	27.2	-173.5	0	0	0	0	0	113	I385	I385-G388 WeakPolarHBondContact O-CA 3.34Å; I385-G388 PolarHBondContact O-N 2.9Å
389	R	85.1	Confident	80.5	Confident	107 Å²	107	48 Å²	48	40%	0.404	27%	0.271	S	S	.	.			trans	-139.6	142.9	-170.2	-71	177.2	178.3	-179.7	-10.9	112.2	T384 I385 F387 Y394 D402	T384-R389 CarbonylContact C-O 3.5Å; T384-R389 WeakPolarHBondContact CB-O 3.24Å; T384-R389 PolarHBondContact OG1-O 2.95Å; I385-R389 PolarHBondContact N-O 3.16Å; F387-R389 VanDerWaalsContact C-N 3.28Å; F387-R389 PolarHBondContact O-N 3.4Å; R389-Y394 HydrophobicContact CB-CE2 4.14Å; R389-D402 IonicContact CZ-OD2 3.39Å; R389-D402 VanDerWaalsContact NH1-CG 3.26Å; R389-D402 IonicContact NH1-OD1 3.67Å; R389-D402 IonicContact NH1-OD2 3.62Å; R389-D402 PolarHBondContact NH1-OD2 2.98Å; R389-D402 IonicContact NH2-OD2 3.08Å; R389-D402 PolarHBondContact NH2-OD2 3.4Å
390	S	86.2	Confident	78.5	Confident	64 Å²	64	48.3 Å²	48.3	45%	0.448	27%	0.274	S	S	.	.			trans	-80.2	155.5	170.6	65.7	0	0	0	0	111.3	Q392 S393 Y394	S390-Q392 PolarHBondContact O-N 3.49Å; S390-S393 WeakPolarHBondContact O-CB 3.21Å; S390-S393 PolarHBondContact O-N 2.94Å; S390-S393 VanDerWaalsContact O-N 3.09Å; S390-S393 PolarHBondContact O-OG 2.81Å; S390-S393 PolarHBondContact OG-N 2.82Å; S390-Y394 WeakPolarHBondContact O-CD2 3.48Å
391	L	87.3	Confident	77	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.8	-37.9	174.7	-71.9	170.6	0	0	0	112.3	T384 S393 Y394 W406 I587 G590 A592	T384-L391 HydrophobicContact CG2-CD2 3.64Å; T384-L391 PolarHBondContact OG1-N 3.43Å; L391-S393 PolarHBondContact O-N 2.89Å; L391-Y394 PolarHBondContact O-N 3.17Å; L391-W406 HydrophobicContact CD2-CH2 3.64Å; L391-W406 HydrophobicContact CD2-CZ3 4.27Å; L391-I587 HydrophobicContact CB-CD1 3.77Å; L391-I587 HydrophobicContact CB-CG1 4.36Å; L391-I587 HydrophobicContact CD1-CG1 4.27Å; L391-I587 HydrophobicContact CD1-CG2 3.96Å; L391-G590 WeakPolarHBondContact CD1-O 3.31Å; L391-A592 HydrophobicContact CD1-CB 4Å; L391-A592 HydrophobicContact CD2-CB 3.99Å
392	Q	77.7	Confident	76.2	Confident	87 Å²	87	55 Å²	55	41%	0.407	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.1	-27	178.8	-70.7	74.7	12.7	0	0	112.5	S390 Y394 V395 V396	S390-Q392 PolarHBondContact O-N 3.49Å; Q392-Y394 PolarHBondContact O-N 2.64Å; Q392-V395 WeakPolarHBondContact O-CG2 3.29Å; Q392-V395 PolarHBondContact O-N 3.13Å; Q392-V396 WeakPolarHBondContact O-CG2 3.2Å; Q392-V396 PolarHBondContact O-N 3.26Å; Q392-V396 VanDerWaalsContact O-N 3.11Å
393	S	78.9	Confident	75.9	Confident	53 Å²	53	55.5 Å²	55.5	37%	0.371	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65.5	-24.1	178.5	73.1	0	0	0	0	113.5	S390 L391 V395	S390-S393 WeakPolarHBondContact O-CB 3.21Å; S390-S393 PolarHBondContact O-N 2.94Å; S390-S393 VanDerWaalsContact O-N 3.09Å; S390-S393 PolarHBondContact O-OG 2.81Å; S390-S393 PolarHBondContact OG-N 2.82Å; L391-S393 PolarHBondContact O-N 2.89Å; S393-V395 PolarHBondContact O-N 2.77Å
394	Y	81.8	Confident	75.9	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.035	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-77	-5.8	176.8	-66.9	-90.1	0	0	0	113.7	T384 R389 S390 L391 Q392 A400 D402 M403 F404	T384-Y394 HydrophobicContact CG2-CD2 4.42Å; T384-Y394 HydrophobicContact CG2-CE2 3.65Å; R389-Y394 HydrophobicContact CB-CE2 4.14Å; S390-Y394 WeakPolarHBondContact O-CD2 3.48Å; L391-Y394 PolarHBondContact O-N 3.17Å; Q392-Y394 PolarHBondContact O-N 2.64Å; Y394-A400 VanDerWaalsContact C-CB 3.44Å; Y394-A400 WeakPolarHBondContact O-CB 3.4Å; Y394-D402 HydrophobicContact CD1-CB 4.08Å; Y394-D402 HydrophobicContact CE1-CB 4.06Å; Y394-M403 WeakPolarHBondContact CD1-O 3.41Å; Y394-M403 VanDerWaalsContact CE1-O 3.29Å; Y394-M403 WeakPolarHBondContact CE1-O 3.5Å; Y394-F404 HydrophobicContact CD2-CD1 4.45Å; Y394-F404 HydrophobicContact CG-CD1 4.07Å; Y394-F404 HydrophobicContact CG-CE1 4.34Å
395	V	73.3	Confident	76	Confident	16 Å²	16	54 Å²	54	10%	0.097	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-13.8	-170.1	-67.3	0	0	0	0	113.5	Q392 S393 F404 Y529 E542	Q392-V395 WeakPolarHBondContact O-CG2 3.29Å; Q392-V395 PolarHBondContact O-N 3.13Å; S393-V395 PolarHBondContact O-N 2.77Å; V395-F404 HydrophobicContact CG1-CE1 4.18Å; V395-F404 HydrophobicContact CG1-CE2 4.14Å; V395-F404 HydrophobicContact CG1-CZ 3.54Å; V395-Y529 HydrophobicContact CB-CD1 4.25Å; V395-Y529 HydrophobicContact CB-CE1 3.62Å; V395-Y529 HydrophobicContact CG1-CD1 3.7Å; V395-Y529 HydrophobicContact CG1-CE1 3.52Å; V395-Y529 HydrophobicContact CG1-CG 4.26Å; V395-Y529 HydrophobicContact CG2-CE1 3.87Å; V395-Y529 WeakPolarHBondContact CG2-OH 3.48Å; V395-E542 HydrophobicContact CG1-CB 4.07Å; V395-E542 HydrophobicContact CG1-CG 4.4Å
396	V	60.5	Low	76.3	Confident	77 Å²	77	48.4 Å²	48.4	47%	0.467	28%	0.276	S	S	.	.	S	Bend	trans	-92.9	120.2	179.5	175	0	0	0	0	111.7	Q392 N398	Q392-V396 WeakPolarHBondContact O-CG2 3.2Å; Q392-V396 PolarHBondContact O-N 3.26Å; Q392-V396 VanDerWaalsContact O-N 3.11Å; V396-N398 PolarHBondContact O-N 3.13Å
397	G	47.2	Very low	76.7	Confident	14 Å²	14	47 Å²	47	14%	0.144	27%	0.267	C	S	.	.	S	Bend		90.1	0.5	127.9	0	0	0	0	0	122.2	K256	K256-G397 VanDerWaalsContact O-CA 3.24Å; K256-G397 WeakPolarHBondContact O-CA 3.4Å; K256-G397 PolarHBondContact O-N 3.09Å
398	N	40.3	Very low	77	Confident	108 Å²	108	45 Å²	45	58%	0.578	26%	0.258	S	S	*	.	S	Bend	trans	-171.9	74.8	168.4	-96	-28.6	0	0	0	110.3	K257 V396 A400	K257-N398 VanDerWaalsContact CD-OD1 3.31Å; K257-N398 WeakPolarHBondContact CD-OD1 3.38Å; V396-N398 PolarHBondContact O-N 3.13Å; N398-A400 VanDerWaalsContact C-N 3.26Å; N398-A400 PolarHBondContact O-N 2.96Å
399	N	43.1	Very low	77.4	Confident	83 Å²	83	41.7 Å²	41.7	44%	0.444	22%	0.224	S	C	.	.			trans	45.1	54	179.4	-85.7	-27.2	0	0	0	110.7	Q401 R539	N399-Q401 WeakPolarHBondContact O-CA 3.28Å; N399-Q401 PolarHBondContact O-N 2.74Å; N399-R539 VanDerWaalsContact CG-NH1 3.32Å; N399-R539 PolarHBondContact OD1-NH1 3.46Å; N399-R539 VanDerWaalsContact OD1-NH1 3.13Å; N399-R539 PolarHBondContact OD1-NH2 2.85Å
400	A	51.3	Low	78	Confident	13 Å²	13	36.6 Å²	36.6	11%	0.107	20%	0.204	C	C	.	.			trans	-24.3	100.3	-171.9	0	0	0	0	0	109.1	Y394 N398 D402	Y394-A400 VanDerWaalsContact C-CB 3.44Å; Y394-A400 WeakPolarHBondContact O-CB 3.4Å; N398-A400 VanDerWaalsContact C-N 3.26Å; N398-A400 PolarHBondContact O-N 2.96Å; A400-D402 CarbonylContact C-O 3.44Å; A400-D402 PolarHBondContact O-N 3.48Å; A400-D402 VanDerWaalsContact O-O 3.11Å
401	Q	64.1	Low	78.5	Confident	167 Å²	167	33.6 Å²	33.6	78%	0.78	18%	0.183	S	C	*	.	S	Bend	trans	-62.4	-14.2	-159.4	-77	-171.3	-14.3	0	0	111.3	N399 P462	N399-Q401 WeakPolarHBondContact O-CA 3.28Å; N399-Q401 PolarHBondContact O-N 2.74Å; Q401-P462 VanDerWaalsContact O-CG 3.22Å; Q401-P462 WeakPolarHBondContact O-CG 3.3Å
402	D	80.4	Confident	78.8	Confident	51 Å²	51	34.3 Å²	34.3	27%	0.273	19%	0.188	S	C	.	.	S	Bend	trans	-118.5	153.1	-178.5	-63	-59.3	0	0	0	111	R389 Y394 A400	R389-D402 IonicContact CZ-OD2 3.39Å; R389-D402 VanDerWaalsContact NH1-CG 3.26Å; R389-D402 IonicContact NH1-OD1 3.67Å; R389-D402 IonicContact NH1-OD2 3.62Å; R389-D402 PolarHBondContact NH1-OD2 2.98Å; R389-D402 IonicContact NH2-OD2 3.08Å; R389-D402 PolarHBondContact NH2-OD2 3.4Å; Y394-D402 HydrophobicContact CD1-CB 4.08Å; Y394-D402 HydrophobicContact CE1-CB 4.06Å; A400-D402 CarbonylContact C-O 3.44Å; A400-D402 PolarHBondContact O-N 3.48Å; A400-D402 VanDerWaalsContact O-O 3.11Å
403	M	89.8	Confident	79.5	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.054	19%	0.193	C	C	.	.			trans	-99.1	165.4	174.9	66.6	178	-167.9	0	0	109.9	Y394 N407 G460 S461 P462 I540	Y394-M403 WeakPolarHBondContact CD1-O 3.41Å; Y394-M403 VanDerWaalsContact CE1-O 3.29Å; Y394-M403 WeakPolarHBondContact CE1-O 3.5Å; M403-N407 HydrophobicContact CE-CB 4.33Å; M403-N407 HydrophobicContact SD-CB 3.97Å; M403-G460 VanDerWaalsContact CE-N 3.33Å; M403-S461 VanDerWaalsContact CE-N 3.33Å; M403-P462 HydrophobicContact CB-CB 4.17Å; M403-P462 HydrophobicContact CG-CB 4.21Å; M403-I540 HydrophobicContact CB-CB 4.17Å; M403-I540 HydrophobicContact CB-CG2 3.65Å; M403-I540 HydrophobicContact SD-CB 4.09Å; M403-I540 HydrophobicContact SD-CD1 3.43Å; M403-I540 WeakPolarHBondContact SD-CD1 3.32Å; M403-I540 HydrophobicContact SD-CG1 4.33Å; M403-I540 HydrophobicContact SD-CG2 4.19Å
404	F	94.3	Very high	80	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.211	C	C	.	.			trans	-57.7	138.1	169.4	-71.1	-53.2	0	0	0	112.3	Y394 V395 W406 N407 Y529 E542	Y394-F404 HydrophobicContact CD2-CD1 4.45Å; Y394-F404 HydrophobicContact CG-CD1 4.07Å; Y394-F404 HydrophobicContact CG-CE1 4.34Å; V395-F404 HydrophobicContact CG1-CE1 4.18Å; V395-F404 HydrophobicContact CG1-CE2 4.14Å; V395-F404 HydrophobicContact CG1-CZ 3.54Å; F404-W406 VanDerWaalsContact C-N 3.25Å; F404-W406 HydrophobicContact CB-CD2 4.09Å; F404-W406 HydrophobicContact CB-CG 4.46Å; F404-W406 HydrophobicContact CB-CH2 4.34Å; F404-W406 HydrophobicContact CB-CZ2 3.55Å; F404-W406 VanDerWaalsContact CB-NE1 3.34Å; F404-W406 AromaticContact CD1-CH2 3.84Å; F404-W406 HydrophobicContact CD1-CH2 3.84Å; F404-W406 AromaticContact CD1-CZ2 3.44Å; F404-W406 HydrophobicContact CD1-CZ2 3.44Å; F404-W406 VanDerWaalsContact CD1-CZ2 3.44Å; F404-W406 AromaticContact CD2-CZ2 3.95Å; F404-W406 HydrophobicContact CD2-CZ2 3.95Å; F404-W406 HydrophobicContact CE1-CH2 4.41Å; F404-W406 HydrophobicContact CE1-CZ2 4.07Å; F404-W406 HydrophobicContact CE2-CZ2 4.49Å; F404-W406 AromaticContact CG-CE2 3.74Å; F404-W406 HydrophobicContact CG-CH2 4.21Å; F404-W406 AromaticContact CG-CZ2 3.38Å; F404-W406 HydrophobicContact CG-CZ2 3.38Å; F404-W406 AromaticContact CG-NE1 3.83Å; F404-W406 PolarHBondContact O-N 3.48Å; F404-W406 VanDerWaalsContact O-N 3.17Å; F404-N407 PolarHBondContact N-ND2 2.87Å; F404-N407 WeakPolarHBondContact O-CB 3.36Å; F404-N407 VanDerWaalsContact O-CG 3.32Å; F404-N407 PolarHBondContact O-N 3.29Å; F404-N407 VanDerWaalsContact O-N 3.08Å; F404-N407 PolarHBondContact O-ND2 2.89Å; F404-Y529 HydrophobicContact CE2-CD2 4.34Å; F404-Y529 HydrophobicContact CE2-CG 4.21Å; F404-Y529 HydrophobicContact CZ-CD2 4.14Å; F404-Y529 HydrophobicContact CZ-CG 4.32Å; F404-E542 HydrophobicContact CD2-CG 3.33Å; F404-E542 WeakPolarHBondContact CD2-OE1 3.28Å; F404-E542 HydrophobicContact CE2-CB 4.34Å; F404-E542 HydrophobicContact CE2-CG 3.37Å; F404-E542 HydrophobicContact CG-CG 4.22Å; F404-E542 HydrophobicContact CZ-CG 4.26Å; F404-E542 PolarHBondContact N-OE1 3.18Å
405	P	95.5	Very high	80.3	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.032	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.9	-167.7	30.4	-36.8	0	0	0	114.4	T384 F387 V510 V511	T384-P405 HydrophobicContact CG2-CG 3.83Å; F387-P405 HydrophobicContact CE2-CB 3.75Å; F387-P405 HydrophobicContact CE2-CG 4.03Å; F387-P405 HydrophobicContact CZ-CB 4.05Å; P405-V510 WeakPolarHBondContact O-CA 3.36Å; P405-V510 WeakPolarHBondContact O-CB 3.5Å; P405-V510 VanDerWaalsContact O-CG1 3.32Å; P405-V510 WeakPolarHBondContact O-CG1 3.21Å; P405-V511 CarbonylContact C-O 3.47Å; P405-V511 HydrophobicContact CG-CB 4.28Å; P405-V511 PolarHBondContact O-N 3.1Å
406	W	97.7	Very high	81.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.8	172.1	42.1	78.3	0	0	0	113	T384 L391 F404 V408 S423 L424 V511 V513 V585 A592	T384-W406 HydrophobicContact CG2-CZ3 4.37Å; L391-W406 HydrophobicContact CD2-CH2 3.64Å; L391-W406 HydrophobicContact CD2-CZ3 4.27Å; F404-W406 VanDerWaalsContact C-N 3.25Å; F404-W406 HydrophobicContact CB-CD2 4.09Å; F404-W406 HydrophobicContact CB-CG 4.46Å; F404-W406 HydrophobicContact CB-CH2 4.34Å; F404-W406 HydrophobicContact CB-CZ2 3.55Å; F404-W406 VanDerWaalsContact CB-NE1 3.34Å; F404-W406 AromaticContact CD1-CH2 3.84Å; F404-W406 HydrophobicContact CD1-CH2 3.84Å; F404-W406 AromaticContact CD1-CZ2 3.44Å; F404-W406 HydrophobicContact CD1-CZ2 3.44Å; F404-W406 VanDerWaalsContact CD1-CZ2 3.44Å; F404-W406 AromaticContact CD2-CZ2 3.95Å; F404-W406 HydrophobicContact CD2-CZ2 3.95Å; F404-W406 HydrophobicContact CE1-CH2 4.41Å; F404-W406 HydrophobicContact CE1-CZ2 4.07Å; F404-W406 HydrophobicContact CE2-CZ2 4.49Å; F404-W406 AromaticContact CG-CE2 3.74Å; F404-W406 HydrophobicContact CG-CH2 4.21Å; F404-W406 AromaticContact CG-CZ2 3.38Å; F404-W406 HydrophobicContact CG-CZ2 3.38Å; F404-W406 AromaticContact CG-NE1 3.83Å; F404-W406 PolarHBondContact O-N 3.48Å; F404-W406 VanDerWaalsContact O-N 3.17Å; W406-V408 PolarHBondContact O-N 2.87Å; W406-S423 CarbonylContact O-C 3.59Å; W406-S423 WeakPolarHBondContact O-CA 3.41Å; W406-L424 HydrophobicContact CB-CB 4.33Å; W406-L424 WeakPolarHBondContact CB-O 3.48Å; W406-L424 PolarHBondContact O-N 3.19Å; W406-V511 WeakPolarHBondContact CA-O 3.41Å; W406-V511 WeakPolarHBondContact CB-O 3.23Å; W406-V511 PolarHBondContact N-O 2.79Å; W406-V513 HydrophobicContact CB-CB 4.04Å; W406-V513 HydrophobicContact CB-CG1 4.38Å; W406-V513 HydrophobicContact CD2-CB 3.59Å; W406-V513 HydrophobicContact CD2-CG2 4.03Å; W406-V513 HydrophobicContact CE3-CB 3.9Å; W406-V513 HydrophobicContact CE3-CG2 4.31Å; W406-V513 HydrophobicContact CG-CB 3.66Å; W406-V513 HydrophobicContact CG-CG1 4.23Å; W406-V513 HydrophobicContact CG-CG2 4.46Å; W406-V513 HydrophobicContact CZ2-CG2 4.35Å; W406-V585 HydrophobicContact CZ2-CG1 3.78Å; W406-A592 HydrophobicContact CH2-CB 3.34Å; W406-A592 HydrophobicContact CZ2-CB 3.83Å; W406-A592 HydrophobicContact CZ3-CB 4.06Å
407	N	97.3	Very high	82.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136.6	-174.4	-67.1	-22.3	0	0	0	111.7	M403 F404 T531 I540 E542	M403-N407 HydrophobicContact CE-CB 4.33Å; M403-N407 HydrophobicContact SD-CB 3.97Å; F404-N407 PolarHBondContact N-ND2 2.87Å; F404-N407 WeakPolarHBondContact O-CB 3.36Å; F404-N407 VanDerWaalsContact O-CG 3.32Å; F404-N407 PolarHBondContact O-N 3.29Å; F404-N407 VanDerWaalsContact O-N 3.08Å; F404-N407 PolarHBondContact O-ND2 2.89Å; N407-T531 HydrophobicContact CB-CG2 4.28Å; N407-T531 VanDerWaalsContact ND2-CG2 3.32Å; N407-T531 WeakPolarHBondContact ND2-CG2 3.26Å; N407-T531 PolarHBondContact ND2-OG1 3.09Å; N407-T531 PolarHBondContact OD1-OG1 2.86Å; N407-T531 VanDerWaalsContact OD1-OG1 3.11Å; N407-I540 HydrophobicContact CB-CD1 4.35Å; N407-E542 PolarHBondContact ND2-OE1 2.87Å
408	V	97.7	Very high	84.9	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.4	173.5	-49.5	0	0	0	0	112.1	W406 I421 G422 L424 V440 V457 Y458 A459	W406-V408 PolarHBondContact O-N 2.87Å; V408-I421 CarbonylContact O-C 3.43Å; V408-I421 WeakPolarHBondContact O-CA 3.38Å; V408-G422 PolarHBondContact N-O 3.5Å; V408-G422 PolarHBondContact O-N 2.74Å; V408-L424 HydrophobicContact CG1-CB 4.49Å; V408-V440 HydrophobicContact CG1-CG2 4.4Å; V408-V440 HydrophobicContact CG2-CG1 3.55Å; V408-V440 HydrophobicContact CG2-CG2 4.21Å; V408-V457 HydrophobicContact CB-CG1 3.69Å; V408-V457 HydrophobicContact CG1-CG1 4.08Å; V408-V457 HydrophobicContact CG2-CG1 3.94Å; V408-Y458 CarbonylContact C-O 3.57Å; V408-Y458 VanDerWaalsContact CA-O 3.29Å; V408-Y458 WeakPolarHBondContact CA-O 3.07Å; V408-A459 HydrophobicContact CG1-CB 3.91Å
409	I	97	Very high	87.5	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.5	175	-56.8	178.9	0	0	0	108.9	T411 T418 I421 V457 Y458 F464 Y533 I540	I409-T411 HydrophobicContact CG2-CG2 3.58Å; I409-T418 HydrophobicContact CG2-CG2 3.5Å; I409-T418 VanDerWaalsContact CG2-CG2 3.5Å; I409-I421 HydrophobicContact CG1-CD1 4.37Å; I409-V457 WeakPolarHBondContact O-CA 3.35Å; I409-Y458 PolarHBondContact N-O 3.11Å; I409-Y458 PolarHBondContact O-N 2.67Å; I409-F464 HydrophobicContact CD1-CB 3.3Å; I409-F464 HydrophobicContact CD1-CD1 4.1Å; I409-F464 HydrophobicContact CD1-CD2 4.06Å; I409-F464 HydrophobicContact CD1-CG 3.55Å; I409-F464 HydrophobicContact CG2-CD1 4.28Å; I409-F464 HydrophobicContact CG2-CE1 4.42Å; I409-Y533 HydrophobicContact CD1-CD2 4.31Å; I409-I540 HydrophobicContact CD1-CD1 3.56Å; I409-I540 HydrophobicContact CD1-CG1 3.97Å; I409-I540 HydrophobicContact CG1-CD1 3.42Å; I409-I540 VanDerWaalsContact CG1-CD1 3.42Å; I409-I540 HydrophobicContact CG1-CG1 4.19Å
410	I	97.2	Very high	90	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.4	174.7	-57.3	169	0	0	0	108.7	K419 C420 T442 L455 V457 L498	I410-K419 PolarHBondContact O-N 2.88Å; I410-C420 HydrophobicContact CB-CB 4.22Å; I410-C420 HydrophobicContact CD1-CB 4.24Å; I410-C420 PolarHBondContact N-O 3.41Å; I410-C420 PolarHBondContact O-N 3.11Å; I410-T442 HydrophobicContact CD1-CG2 3.62Å; I410-L455 HydrophobicContact CG2-CB 4.35Å; I410-L455 HydrophobicContact CG2-CD1 4.19Å; I410-V457 HydrophobicContact CG1-CG2 4.41Å; I410-L498 HydrophobicContact CD1-CD1 3.92Å
411	T	95.9	Very high	92.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.9	-175.1	70.5	0	0	0	0	112.7	I409 S417 L455 R456 Y458 F464	I409-T411 HydrophobicContact CG2-CG2 3.58Å; T411-S417 VanDerWaalsContact CA-O 3.25Å; T411-S417 WeakPolarHBondContact CA-O 3.25Å; T411-S417 WeakPolarHBondContact CB-O 3.28Å; T411-L455 CarbonylContact O-C 3.48Å; T411-L455 WeakPolarHBondContact O-CA 3.47Å; T411-L455 WeakPolarHBondContact O-CD2 3.38Å; T411-R456 PolarHBondContact N-O 3.17Å; T411-R456 PolarHBondContact O-N 3.37Å; T411-Y458 HydrophobicContact CG2-CD2 4.1Å; T411-Y458 HydrophobicContact CG2-CE2 4.34Å; T411-Y458 VanDerWaalsContact OG1-CE2 3.24Å; T411-Y458 WeakPolarHBondContact OG1-CE2 3.35Å; T411-F464 HydrophobicContact CG2-CE1 3.63Å; T411-F464 HydrophobicContact CG2-CE2 4.31Å; T411-F464 HydrophobicContact CG2-CZ 3.45Å; T411-F464 VanDerWaalsContact CG2-CZ 3.45Å
412	T	94.8	Very high	93.9	Very high	21 Å²	21	30.9 Å²	30.9	13%	0.129	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.7	168.2	56.1	0	0	0	0	111.3	V414 G416 S417 K419 L455	T412-V414 PolarHBondContact O-N 3.1Å; T412-G416 VanDerWaalsContact O-CA 3.23Å; T412-G416 WeakPolarHBondContact O-CA 3.14Å; T412-G416 PolarHBondContact O-N 2.84Å; T412-G416 PolarHBondContact OG1-N 3.19Å; T412-S417 WeakPolarHBondContact CG2-OG 3.37Å; T412-S417 PolarHBondContact N-O 2.89Å; T412-S417 PolarHBondContact OG1-N 2.8Å; T412-S417 PolarHBondContact OG1-OG 3.5Å; T412-K419 HydrophobicContact CG2-CD 4.41Å; T412-K419 VanDerWaalsContact CG2-CE 3.42Å; T412-K419 HydrophobicContact CG2-CG 4.12Å; T412-L455 HydrophobicContact CG2-CD2 4.31Å
413	R	91.8	Very high	94.7	Very high	133 Å²	133	28.5 Å²	28.5	50%	0.502	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-48.5	179.9	-179.7	-176.3	179	153.6	-1.1	113.5	R454 R456	R413-R454 WeakPolarHBondContact CB-O 3.4Å; R413-R454 PolarHBondContact N-O 3.45Å; R413-R456 HydrophobicContact CB-CG 4.37Å
414	V	89	Confident	95.2	Very high	125 Å²	125	28 Å²	28	76%	0.758	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-65.9	-173.6	-177.3	0	0	0	0	110.8	T412 G416 R469	T412-V414 PolarHBondContact O-N 3.1Å; V414-G416 VanDerWaalsContact C-N 3.26Å; V414-G416 PolarHBondContact O-N 3.38Å; V414-R469 PolarHBondContact O-NH2 2.85Å
415	R	89	Confident	95.3	Very high	204 Å²	204	28 Å²	28	77%	0.77	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.7	-175	-72.7	-176.6	174.9	166.5	0.4	115	S417	R415-S417 PolarHBondContact O-N 3.28Å
416	G	90	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.13	C	C	.	.			trans	59.8	15.1	-172.7	0	0	0	0	0	114.3	T412 V414 T418	T412-G416 VanDerWaalsContact O-CA 3.23Å; T412-G416 WeakPolarHBondContact O-CA 3.14Å; T412-G416 PolarHBondContact O-N 2.84Å; T412-G416 PolarHBondContact OG1-N 3.19Å; V414-G416 VanDerWaalsContact C-N 3.26Å; V414-G416 PolarHBondContact O-N 3.38Å; G416-T418 PolarHBondContact O-N 2.87Å
417	S	91.7	Very high	95.1	Very high	11 Å²	11	33.8 Å²	33.8	8%	0.077	15%	0.153	C	C	.	.			trans	-71.2	123.4	-177.2	63.2	0	0	0	0	111	T411 T412 R415 K419	T411-S417 VanDerWaalsContact CA-O 3.25Å; T411-S417 WeakPolarHBondContact CA-O 3.25Å; T411-S417 WeakPolarHBondContact CB-O 3.28Å; T412-S417 WeakPolarHBondContact CG2-OG 3.37Å; T412-S417 PolarHBondContact N-O 2.89Å; T412-S417 PolarHBondContact OG1-N 2.8Å; T412-S417 PolarHBondContact OG1-OG 3.5Å; R415-S417 PolarHBondContact O-N 3.28Å; S417-K419 PolarHBondContact O-N 3.38Å; S417-K419 WeakPolarHBondContact OG-CE 3.42Å; S417-K419 PolarHBondContact OG-NZ 3.24Å; S417-K419 VanDerWaalsContact OG-NZ 3.08Å
418	T	94.7	Very high	94.8	Very high	12 Å²	12	35.5 Å²	35.5	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	130.8	172.1	-52.6	0	0	0	0	110.5	I409 G416 Y533 I578	I409-T418 HydrophobicContact CG2-CG2 3.5Å; I409-T418 VanDerWaalsContact CG2-CG2 3.5Å; G416-T418 PolarHBondContact O-N 2.87Å; T418-Y533 HydrophobicContact CG2-CD1 3.87Å; T418-Y533 HydrophobicContact CG2-CE1 4.32Å; T418-Y533 HydrophobicContact CG2-CG 4.07Å; T418-I578 HydrophobicContact CG2-CD1 3.74Å; T418-I578 HydrophobicContact CG2-CG2 4.3Å; T418-I578 WeakPolarHBondContact O-CD1 3.37Å
419	K	94.7	Very high	94.5	Very high	68 Å²	68	40.9 Å²	40.9	30%	0.296	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	-47.6	180	-64.3	-56.2	175	-158.5	0	112	I410 T412 S417 I578	I410-K419 PolarHBondContact O-N 2.88Å; T412-K419 HydrophobicContact CG2-CD 4.41Å; T412-K419 VanDerWaalsContact CG2-CE 3.42Å; T412-K419 HydrophobicContact CG2-CG 4.12Å; S417-K419 PolarHBondContact O-N 3.38Å; S417-K419 WeakPolarHBondContact OG-CE 3.42Å; S417-K419 PolarHBondContact OG-NZ 3.24Å; S417-K419 VanDerWaalsContact OG-NZ 3.08Å; K419-I578 WeakPolarHBondContact O-CG2 3.24Å
420	C	97.2	Very high	94.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.9	-173.4	-45.1	0	0	0	0	109.3	I410 C446 L580	I410-C420 HydrophobicContact CB-CB 4.22Å; I410-C420 HydrophobicContact CD1-CB 4.24Å; I410-C420 PolarHBondContact N-O 3.41Å; I410-C420 PolarHBondContact O-N 3.11Å; C420-C446 HydrophobicContact CB-CB 3.95Å; C420-C446 WeakPolarHBondContact CB-SG 3.16Å; C420-C446 WeakPolarHBondContact SG-CA 3.39Å; C420-C446 WeakPolarHBondContact SG-CB 3.2Å; C420-C446 CovalentContact SG-SG 2.02Å; C420-C446 PolarHBondContact SG-SG 3.43Å; C420-L580 CarbonylContact C-O 3.56Å; C420-L580 VanDerWaalsContact CA-O 3.28Å; C420-L580 WeakPolarHBondContact CA-O 3.17Å; C420-L580 VanDerWaalsContact CB-O 3.29Å; C420-L580 WeakPolarHBondContact CB-O 3.07Å
421	I	97.7	Very high	93.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	163.2	165.6	-53.5	-57.8	0	0	0	107.3	V408 I409 T442 T531 L580 G581 S582	V408-I421 CarbonylContact O-C 3.43Å; V408-I421 WeakPolarHBondContact O-CA 3.38Å; I409-I421 HydrophobicContact CG1-CD1 4.37Å; I421-T442 WeakPolarHBondContact O-CB 3.13Å; I421-T442 PolarHBondContact O-OG1 3.49Å; I421-T531 HydrophobicContact CG2-CG2 3.94Å; I421-L580 PolarHBondContact N-O 3.08Å; I421-G581 CarbonylContact O-C 3.57Å; I421-G581 WeakPolarHBondContact O-CA 3.49Å; I421-G581 VanDerWaalsContact O-O 3.09Å; I421-S582 WeakPolarHBondContact CB-OG 3.48Å
422	G	98.3	Very high	93.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-175.8	168.1	0	0	0	0	0	110.5	V408 L441	V408-G422 PolarHBondContact N-O 3.5Å; V408-G422 PolarHBondContact O-N 2.74Å; G422-L441 CarbonylContact C-O 3.52Å; G422-L441 WeakPolarHBondContact CA-O 3.32Å
423	S	98.6	Very high	93.7	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.2	176.8	47	0	0	0	0	111	W406 V440 L441 Q594	W406-S423 CarbonylContact O-C 3.59Å; W406-S423 WeakPolarHBondContact O-CA 3.41Å; S423-V440 CarbonylContact O-C 3.56Å; S423-V440 WeakPolarHBondContact O-CA 3.29Å; S423-L441 PolarHBondContact N-O 3.48Å; S423-L441 PolarHBondContact O-N 2.98Å; S423-Q594 VanDerWaalsContact OG-CD 3.23Å; S423-Q594 PolarHBondContact OG-NE2 3.24Å; S423-Q594 PolarHBondContact OG-OE1 3.11Å
424	L	98.4	Very high	93.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.7	163.4	-167.8	71.8	0	0	0	108.5	W406 V408 V440 L500 L504 V510 P512 V513	W406-L424 HydrophobicContact CB-CB 4.33Å; W406-L424 WeakPolarHBondContact CB-O 3.48Å; W406-L424 PolarHBondContact O-N 3.19Å; V408-L424 HydrophobicContact CG1-CB 4.49Å; L424-V440 HydrophobicContact CD1-CG2 4.18Å; L424-L500 HydrophobicContact CD1-CD1 4.43Å; L424-L504 HydrophobicContact CD1-CD1 4.3Å; L424-L504 HydrophobicContact CD2-CB 4.16Å; L424-V510 HydrophobicContact CD2-CB 4.11Å; L424-V510 HydrophobicContact CD2-CG2 3.76Å; L424-P512 HydrophobicContact CD2-CB 4.45Å; L424-P512 HydrophobicContact CG-CB 4.29Å; L424-P512 CarbonylContact O-C 3.46Å; L424-P512 VanDerWaalsContact O-CA 3.26Å; L424-P512 WeakPolarHBondContact O-CA 3.18Å; L424-V513 PolarHBondContact O-N 3.27Å
425	V	98.1	Very high	93.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-117.6	152.5	-173.9	-61.8	0	0	0	0	112.3	S437 V439 L441 V513 L515 Q594 F627	V425-S437 WeakPolarHBondContact O-CB 3.32Å; V425-S437 PolarHBondContact O-OG 3.36Å; V425-V439 HydrophobicContact CG2-CB 4.21Å; V425-V439 HydrophobicContact CG2-CG1 3.78Å; V425-V439 PolarHBondContact N-O 2.87Å; V425-L441 HydrophobicContact CB-CG 4.42Å; V425-L441 HydrophobicContact CG1-CB 4.28Å; V425-L441 HydrophobicContact CG1-CD1 3.71Å; V425-L441 HydrophobicContact CG1-CG 3.72Å; V425-L441 HydrophobicContact CG2-CD1 4.3Å; V425-L441 HydrophobicContact CG2-CD2 4.45Å; V425-L441 HydrophobicContact CG2-CG 3.86Å; V425-V513 HydrophobicContact CG1-CG1 3.92Å; V425-L515 HydrophobicContact CB-CD2 4.09Å; V425-L515 HydrophobicContact CG1-CD2 3.93Å; V425-Q594 VanDerWaalsContact CG1-OE1 3.29Å; V425-F627 HydrophobicContact CG2-CE2 4.46Å; V425-F627 HydrophobicContact CG2-CZ 4.45Å
426	H	96.2	Very high	94.1	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.074	23%	0.229	C	C	.	.			trans	-95.2	132.5	168.1	-179.7	58	0	0	0	109.6	C381 G428 H429 V434 P512 V513	C381-H426 HydrophobicContact CB-CB 3.59Å; H426-G428 VanDerWaalsContact CD2-C 3.43Å; H426-G428 PolarHBondContact CD2-N 3.47Å; H426-G428 PolarHBondContact CD2-O 2.9Å; H426-G428 VanDerWaalsContact CD2-O 3.22Å; H426-G428 VanDerWaalsContact NE2-C 3.26Å; H426-G428 WeakPolarHBondContact NE2-CA 3.3Å; H426-G428 PolarHBondContact NE2-N 2.7Å; H426-H429 PolarHBondContact NE2-O 3.33Å; H426-V434 HydrophobicContact CB-CG1 4.39Å; H426-V434 WeakPolarHBondContact ND1-CG2 3.18Å; H426-P512 HydrophobicContact CB-CB 4.09Å; H426-P512 HydrophobicContact CB-CG 4.12Å; H426-V513 PolarHBondContact N-O 3.49Å; H426-V513 VanDerWaalsContact N-O 3.09Å
427	K	92.8	Very high	94.4	Very high	111 Å²	111	45.3 Å²	45.3	48%	0.483	23%	0.233	S	C	.	.			trans	-80.9	-27.7	179.5	-61.7	-169.8	176.7	-179.7	0	113.6	V439 F627	K427-V439 HydrophobicContact CD-CG2 4.45Å; K427-F627 HydrophobicContact CB-CD2 3.99Å; K427-F627 HydrophobicContact CB-CE2 4.19Å; K427-F627 HydrophobicContact CB-CG 4.49Å; K427-F627 HydrophobicContact CD-CD1 4.19Å; K427-F627 HydrophobicContact CD-CD2 4.4Å; K427-F627 HydrophobicContact CD-CE1 4.21Å; K427-F627 HydrophobicContact CD-CE2 4.39Å; K427-F627 HydrophobicContact CD-CG 4.31Å; K427-F627 HydrophobicContact CD-CZ 4.33Å; K427-F627 HydrophobicContact CG-CD1 4.44Å; K427-F627 HydrophobicContact CG-CD2 3.85Å; K427-F627 HydrophobicContact CG-CE1 4.29Å; K427-F627 HydrophobicContact CG-CE2 3.65Å; K427-F627 HydrophobicContact CG-CG 4.26Å; K427-F627 HydrophobicContact CG-CZ 3.92Å
428	G	90.9	Very high	94.7	Very high	36 Å²	36	46.6 Å²	46.6	37%	0.371	24%	0.239	S	C	.	.	S	Bend	trans	-89.5	-167.8	-172.4	0	0	0	0	0	113.1	H426	H426-G428 VanDerWaalsContact CD2-C 3.43Å; H426-G428 PolarHBondContact CD2-N 3.47Å; H426-G428 PolarHBondContact CD2-O 2.9Å; H426-G428 VanDerWaalsContact CD2-O 3.22Å; H426-G428 VanDerWaalsContact NE2-C 3.26Å; H426-G428 WeakPolarHBondContact NE2-CA 3.3Å; H426-G428 PolarHBondContact NE2-N 2.7Å
429	H	90.6	Very high	94.9	Very high	115 Å²	115	46.1 Å²	46.1	53%	0.532	24%	0.236	S	C	.	.			trans	-74.1	149.5	179.5	-169	-94.4	0	0	0	111.5	H426 R431 Q432	H426-H429 PolarHBondContact NE2-O 3.33Å; H429-R431 PolarHBondContact ND1-N 2.81Å; H429-R431 VanDerWaalsContact ND1-N 3.2Å; H429-R431 PolarHBondContact O-N 3.11Å; H429-R431 VanDerWaalsContact O-N 3.07Å; H429-Q432 VanDerWaalsContact O-CB 3.23Å; H429-Q432 WeakPolarHBondContact O-CB 3.46Å; H429-Q432 PolarHBondContact O-N 3.43Å
430	E	90	Very high	95.1	Very high	46 Å²	46	42.9 Å²	42.9	22%	0.215	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.1	-178.1	57.2	158.8	-157.2	0	0	115.9	R591 Y593	E430-R591 PolarHBondContact O-NH1 2.84Å; E430-R591 IonicContact OE1-NH1 2.95Å; E430-R591 WeakPolarHBondContact OE2-CD 3.21Å; E430-R591 IonicContact OE2-NH1 3.17Å; E430-R591 PolarHBondContact OE2-NH1 3.22Å; E430-R591 VanDerWaalsContact OE2-NH1 3.08Å; E430-Y593 WeakPolarHBondContact OE2-CE1 3.24Å; E430-Y593 VanDerWaalsContact OE2-CZ 3.28Å; E430-Y593 PolarHBondContact OE2-OH 3.03Å
431	R	90.8	Very high	95.1	Very high	194 Å²	194	42.8 Å²	42.8	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.2	175.9	-64	-179.9	-174.8	-178.4	-1	112.7	Y380 H429	Y380-R431 VanDerWaalsContact CE1-O 3.28Å; Y380-R431 WeakPolarHBondContact CE1-O 3.46Å; H429-R431 PolarHBondContact ND1-N 2.81Å; H429-R431 VanDerWaalsContact ND1-N 3.2Å; H429-R431 PolarHBondContact O-N 3.11Å; H429-R431 VanDerWaalsContact O-N 3.07Å
432	Q	93.8	Very high	95.2	Very high	107 Å²	107	42.8 Å²	42.8	50%	0.5	22%	0.222	S	C	.	.	S	Bend	trans	-83.4	128.2	178.3	-171.7	177.2	-2	0	0	109.6	H429 V434	H429-Q432 VanDerWaalsContact O-CB 3.23Å; H429-Q432 WeakPolarHBondContact O-CB 3.46Å; H429-Q432 PolarHBondContact O-N 3.43Å; Q432-V434 PolarHBondContact O-N 3.25Å
433	A	92.7	Very high	95.1	Very high	57 Å²	57	42.8 Å²	42.8	47%	0.471	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-66.3	130.8	172.6	0	0	0	0	0	110	A378 V379 Y380	A378-A433 HydrophobicContact CB-CB 4.31Å; V379-A433 CarbonylContact O-C 3.53Å; V379-A433 VanDerWaalsContact O-CA 3.31Å; V379-A433 WeakPolarHBondContact O-CA 3.46Å; Y380-A433 HydrophobicContact CE1-CB 4.23Å
434	V	92.8	Very high	94.9	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.085	22%	0.222	C	C	.	.			trans	-141.3	104.3	-176	57.3	0	0	0	0	111.1	V379 C381 H426 Q432 S436 P512	V379-V434 WeakPolarHBondContact CB-O 3.43Å; V379-V434 VanDerWaalsContact CG1-O 3.22Å; V379-V434 WeakPolarHBondContact CG1-O 3.02Å; V379-V434 PolarHBondContact O-N 3Å; C381-V434 HydrophobicContact CB-CG1 4.23Å; H426-V434 HydrophobicContact CB-CG1 4.39Å; H426-V434 WeakPolarHBondContact ND1-CG2 3.18Å; Q432-V434 PolarHBondContact O-N 3.25Å; V434-S436 WeakPolarHBondContact CG2-O 3.43Å; V434-P512 HydrophobicContact CG1-CG 3.91Å; V434-P512 HydrophobicContact CG2-CG 4.07Å
435	N	91.3	Very high	94.8	Very high	100 Å²	100	46.3 Å²	46.3	54%	0.535	24%	0.238	S	C	.	.	S	Bend	trans	-88.8	-6.8	178.7	-74.6	-8.5	0	0	0	114.1	V379 R506	V379-N435 WeakPolarHBondContact CB-OD1 3.32Å; V379-N435 WeakPolarHBondContact CG2-OD1 3.49Å; N435-R506 PolarHBondContact O-N 2.84Å
436	S	94.6	Very high	94.6	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	155.6	-177.8	75.4	0	0	0	0	112.7	V434 L504	V434-S436 WeakPolarHBondContact CG2-O 3.43Å; S436-L504 VanDerWaalsContact CA-O 3.24Å; S436-L504 WeakPolarHBondContact CA-O 3.2Å; S436-L504 WeakPolarHBondContact CB-O 3.32Å
437	S	97.4	Very high	94.5	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	147.9	168.1	172.5	0	0	0	0	110	V425 V439 P503 L504	V425-S437 WeakPolarHBondContact O-CB 3.32Å; V425-S437 PolarHBondContact O-OG 3.36Å; S437-V439 PolarHBondContact OG-N 2.93Å; S437-P503 WeakPolarHBondContact O-CA 3.4Å; S437-L504 PolarHBondContact N-O 2.9Å; S437-L504 PolarHBondContact O-N 2.81Å
438	D	97.9	Very high	93.9	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.203	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	15.3	173.4	57	21	0	0	0	112.2	K499 L500 P503	D438-K499 VanDerWaalsContact CG-CE 3.41Å; D438-K499 WeakPolarHBondContact OD1-CE 3.04Å; D438-K499 IonicContact OD1-NZ 2.79Å; D438-K499 PolarHBondContact OD1-NZ 3.19Å; D438-K499 WeakPolarHBondContact OD2-CE 3.28Å; D438-K499 IonicContact OD2-NZ 2.58Å; D438-K499 PolarHBondContact OD2-NZ 2.8Å; D438-L500 HydrophobicContact CB-CB 4.11Å; D438-L500 WeakPolarHBondContact O-CB 3.33Å; D438-L500 WeakPolarHBondContact O-CG 3.28Å; D438-L500 PolarHBondContact O-N 2.81Å; D438-P503 HydrophobicContact CB-CB 4.09Å
439	V	98.3	Very high	93.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	-174.8	-179.1	0	0	0	0	110.9	V425 K427 S437 I497 L498 K499 F627	V425-V439 HydrophobicContact CG2-CB 4.21Å; V425-V439 HydrophobicContact CG2-CG1 3.78Å; V425-V439 PolarHBondContact N-O 2.87Å; K427-V439 HydrophobicContact CD-CG2 4.45Å; S437-V439 PolarHBondContact OG-N 2.93Å; V439-I497 HydrophobicContact CG1-CG2 3.82Å; V439-L498 WeakPolarHBondContact CA-O 3.46Å; V439-K499 HydrophobicContact CG2-CD 4.45Å; V439-F627 HydrophobicContact CG1-CE1 4.28Å; V439-F627 HydrophobicContact CG1-CZ 3.76Å
440	V	98.6	Very high	93.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	179.9	171.3	0	0	0	0	110.2	V408 S423 L424 L498 L500	V408-V440 HydrophobicContact CG1-CG2 4.4Å; V408-V440 HydrophobicContact CG2-CG1 3.55Å; V408-V440 HydrophobicContact CG2-CG2 4.21Å; S423-V440 CarbonylContact O-C 3.56Å; S423-V440 WeakPolarHBondContact O-CA 3.29Å; L424-V440 HydrophobicContact CD1-CG2 4.18Å; V440-L498 HydrophobicContact CB-CB 4.09Å; V440-L498 HydrophobicContact CB-CD1 4.07Å; V440-L498 HydrophobicContact CB-CG 4.12Å; V440-L498 HydrophobicContact CG1-CD1 3.84Å; V440-L498 HydrophobicContact CG1-CG 4.21Å; V440-L498 PolarHBondContact N-O 2.61Å; V440-L498 PolarHBondContact O-N 3.21Å; V440-L500 HydrophobicContact CG2-CD1 4Å; V440-L500 HydrophobicContact CG2-CD2 4.12Å; V440-L500 HydrophobicContact CG2-CG 4.14Å
441	L	98.3	Very high	93.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.9	166.7	-61.8	-173.4	0	0	0	110.9	G422 S423 V425 I497 L515 V597 V623	G422-L441 CarbonylContact C-O 3.52Å; G422-L441 WeakPolarHBondContact CA-O 3.32Å; S423-L441 PolarHBondContact N-O 3.48Å; S423-L441 PolarHBondContact O-N 2.98Å; V425-L441 HydrophobicContact CB-CG 4.42Å; V425-L441 HydrophobicContact CG1-CB 4.28Å; V425-L441 HydrophobicContact CG1-CD1 3.71Å; V425-L441 HydrophobicContact CG1-CG 3.72Å; V425-L441 HydrophobicContact CG2-CD1 4.3Å; V425-L441 HydrophobicContact CG2-CD2 4.45Å; V425-L441 HydrophobicContact CG2-CG 3.86Å; L441-I497 HydrophobicContact CD2-CB 4.39Å; L441-I497 HydrophobicContact CD2-CD1 4.43Å; L441-I497 HydrophobicContact CD2-CG1 3.73Å; L441-I497 HydrophobicContact CD2-CG2 4.43Å; L441-L515 HydrophobicContact CD1-CD2 3.79Å; L441-V597 HydrophobicContact CB-CG2 4.44Å; L441-V623 HydrophobicContact CD1-CG1 4.07Å; L441-V623 HydrophobicContact CD1-CG2 4.08Å; L441-V623 HydrophobicContact CD2-CG1 3.91Å; L441-V623 HydrophobicContact CD2-CG2 3.99Å
442	T	98.1	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-172.3	175.1	-171.4	0	0	0	0	110	I410 I421 F447 V495 A496 L498	I410-T442 HydrophobicContact CD1-CG2 3.62Å; I421-T442 WeakPolarHBondContact O-CB 3.13Å; I421-T442 PolarHBondContact O-OG1 3.49Å; T442-F447 HydrophobicContact CG2-CE2 3.84Å; T442-V495 CarbonylContact O-C 3.54Å; T442-V495 WeakPolarHBondContact O-CA 3.44Å; T442-A496 HydrophobicContact CG2-CB 3.9Å; T442-A496 PolarHBondContact N-O 2.72Å; T442-A496 PolarHBondContact O-N 2.97Å; T442-L498 HydrophobicContact CG2-CD1 4.16Å; T442-L498 HydrophobicContact CG2-CD2 4.14Å; T442-L498 HydrophobicContact CG2-CG 4.25Å
443	A	96.9	Very high	93.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.8	176.3	0	0	0	0	0	112	E445 C446 L580 G581 L599	A443-E445 PolarHBondContact O-N 3.45Å; A443-C446 WeakPolarHBondContact O-CB 3.47Å; A443-C446 PolarHBondContact O-N 2.76Å; A443-L580 HydrophobicContact CB-CD1 3.53Å; A443-L580 HydrophobicContact CB-CG 3.82Å; A443-G581 VanDerWaalsContact N-CA 3.34Å; A443-L599 HydrophobicContact CB-CD2 3.67Å
444	A	95.3	Very high	93.2	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.017	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.5	-31	174.9	0	0	0	0	0	113.1	C446 F447 L481 A493 G494 A496 L635	A444-C446 PolarHBondContact O-N 3.39Å; A444-F447 PolarHBondContact O-N 2.8Å; A444-L481 HydrophobicContact CB-CB 4.36Å; A444-L481 HydrophobicContact CB-CD2 4.15Å; A444-A493 HydrophobicContact CB-CB 4.05Å; A444-G494 WeakPolarHBondContact CB-O 3.41Å; A444-G494 PolarHBondContact N-O 3.16Å; A444-A496 HydrophobicContact CB-CB 4.49Å; A444-L635 HydrophobicContact CB-CD1 4.46Å
445	E	94.4	Very high	93.4	Very high	72 Å²	72	49.6 Å²	49.6	34%	0.336	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60	-18.3	175.6	-173.1	60.8	-157.8	0	0	112.4	A443 F447 R448 A493 L580	A443-E445 PolarHBondContact O-N 3.45Å; E445-F447 PolarHBondContact O-N 3.11Å; E445-R448 VanDerWaalsContact CD-NE 3.28Å; E445-R448 IonicContact OE1-CZ 3.23Å; E445-R448 VanDerWaalsContact OE1-CZ 3.23Å; E445-R448 IonicContact OE1-NE 2.78Å; E445-R448 PolarHBondContact OE1-NE 3.23Å; E445-R448 IonicContact OE1-NH2 2.87Å; E445-R448 PolarHBondContact OE1-NH2 2.81Å; E445-R448 VanDerWaalsContact OE2-CD 3.24Å; E445-R448 WeakPolarHBondContact OE2-CD 3.24Å; E445-R448 IonicContact OE2-CZ 3.86Å; E445-R448 IonicContact OE2-NE 3.01Å; E445-R448 PolarHBondContact OE2-NE 2.51Å; E445-A493 HydrophobicContact CB-CB 4.09Å; E445-L580 HydrophobicContact CB-CD1 4.44Å; E445-L580 HydrophobicContact CB-CD2 4.2Å; E445-L580 HydrophobicContact CG-CD2 4.24Å
446	C	95.2	Very high	93.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.014	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59.1	-29.1	173.3	-156.5	0	0	0	0	113.3	C420 A443 A444	C420-C446 HydrophobicContact CB-CB 3.95Å; C420-C446 WeakPolarHBondContact CB-SG 3.16Å; C420-C446 WeakPolarHBondContact SG-CA 3.39Å; C420-C446 WeakPolarHBondContact SG-CB 3.2Å; C420-C446 CovalentContact SG-SG 2.02Å; C420-C446 PolarHBondContact SG-SG 3.43Å; A443-C446 WeakPolarHBondContact O-CB 3.47Å; A443-C446 PolarHBondContact O-N 2.76Å; A444-C446 PolarHBondContact O-N 3.39Å
447	F	94.2	Very high	93.8	Very high	4 Å²	4	43 Å²	43	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-8.8	-170.5	-63.5	-90.6	0	0	0	114.7	T442 A444 E445 R449 R450 H452 L455 I476 V479 L481 A496 L498	T442-F447 HydrophobicContact CG2-CE2 3.84Å; A444-F447 PolarHBondContact O-N 2.8Å; E445-F447 PolarHBondContact O-N 3.11Å; F447-R449 PolarHBondContact O-N 2.88Å; F447-R450 PolarHBondContact O-N 3.41Å; F447-H452 HydrophobicContact CD1-CB 4.38Å; F447-H452 HydrophobicContact CE1-CB 4.13Å; F447-L455 HydrophobicContact CD1-CD1 3.63Å; F447-L455 HydrophobicContact CE1-CD1 3.38Å; F447-L455 HydrophobicContact CZ-CD1 4.07Å; F447-I476 HydrophobicContact CE1-CD1 4.16Å; F447-I476 HydrophobicContact CZ-CD1 4.28Å; F447-V479 HydrophobicContact CD1-CG1 4.18Å; F447-V479 HydrophobicContact CD1-CG2 4.22Å; F447-V479 HydrophobicContact CD2-CG1 4.13Å; F447-V479 HydrophobicContact CE1-CG1 4.26Å; F447-V479 HydrophobicContact CE1-CG2 3.76Å; F447-V479 HydrophobicContact CE2-CG1 4.26Å; F447-V479 HydrophobicContact CG-CG1 4.12Å; F447-V479 HydrophobicContact CZ-CG1 4.33Å; F447-V479 HydrophobicContact CZ-CG2 4.14Å; F447-L481 HydrophobicContact CB-CD1 4.12Å; F447-L481 HydrophobicContact CB-CD2 3.87Å; F447-L481 HydrophobicContact CD2-CD2 3.91Å; F447-L481 HydrophobicContact CG-CD2 4.08Å; F447-A496 HydrophobicContact CD2-CB 4.16Å; F447-A496 HydrophobicContact CE2-CB 4.15Å; F447-L498 HydrophobicContact CE1-CD2 4.28Å; F447-L498 HydrophobicContact CE2-CD1 4.4Å; F447-L498 HydrophobicContact CE2-CD2 3.49Å; F447-L498 VanDerWaalsContact CE2-CD2 3.49Å; F447-L498 HydrophobicContact CZ-CD1 3.87Å; F447-L498 HydrophobicContact CZ-CD2 3.36Å; F447-L498 HydrophobicContact CZ-CG 4.29Å
448	R	80.6	Confident	93.8	Very high	102 Å²	102	42.7 Å²	42.7	39%	0.385	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-19.6	-171.2	-168.7	173	64.5	120.6	-5.1	116.4	E445	E445-R448 VanDerWaalsContact CD-NE 3.28Å; E445-R448 IonicContact OE1-CZ 3.23Å; E445-R448 VanDerWaalsContact OE1-CZ 3.23Å; E445-R448 IonicContact OE1-NE 2.78Å; E445-R448 PolarHBondContact OE1-NE 3.23Å; E445-R448 IonicContact OE1-NH2 2.87Å; E445-R448 PolarHBondContact OE1-NH2 2.81Å; E445-R448 VanDerWaalsContact OE2-CD 3.24Å; E445-R448 WeakPolarHBondContact OE2-CD 3.24Å; E445-R448 IonicContact OE2-CZ 3.86Å; E445-R448 IonicContact OE2-NE 3.01Å; E445-R448 PolarHBondContact OE2-NE 2.51Å
449	R	81.2	Confident	93.7	Very high	182 Å²	182	41 Å²	41	69%	0.687	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.9	15.8	179.2	-59.7	-176.2	179.5	173.4	-1.1	113.3	F447	F447-R449 PolarHBondContact O-N 2.88Å
450	R	83.9	Confident	93.5	Very high	90 Å²	90	41.8 Å²	41.8	34%	0.34	18%	0.182	S	C	.	.			trans	-147.2	121.2	-167.3	-61.9	-175.6	-176.1	84.2	9.1	111.3	F447 L455	F447-R450 PolarHBondContact O-N 3.41Å; R450-L455 HydrophobicContact CB-CD1 4.49Å
451	K	89.7	Confident	93.2	Very high	93 Å²	93	42.6 Å²	42.6	40%	0.404	19%	0.188	S	C	.	.			trans	-58.9	137.7	164.6	-63.4	-169.7	176.6	-169.3	0	110.2	S453 R454 T639	K451-S453 PolarHBondContact O-N 3Å; K451-S453 VanDerWaalsContact O-N 3.16Å; K451-R454 WeakPolarHBondContact O-CB 3.27Å; K451-R454 PolarHBondContact O-N 2.83Å; K451-T639 HydrophobicContact CG-CG2 3.9Å
452	H	91.2	Very high	92.7	Very high	66 Å²	66	43.9 Å²	43.9	31%	0.306	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-58.1	-28.9	179.7	63.6	-94.1	0	0	0	112.8	F447 R454 L455 I476 V479	F447-H452 HydrophobicContact CD1-CB 4.38Å; F447-H452 HydrophobicContact CE1-CB 4.13Å; H452-R454 PolarHBondContact O-N 3.39Å; H452-R454 VanDerWaalsContact O-N 3.14Å; H452-L455 PolarHBondContact O-N 3.08Å; H452-I476 HydrophobicContact CB-CB 4.37Å; H452-I476 HydrophobicContact CB-CG2 4.06Å; H452-V479 HydrophobicContact CB-CB 4.45Å; H452-V479 HydrophobicContact CB-CG2 3.45Å; H452-V479 VanDerWaalsContact CB-CG2 3.45Å
453	S	92.7	Very high	92.2	Very high	57 Å²	57	51.4 Å²	51.4	40%	0.399	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-59	-25.3	175.7	64.3	0	0	0	0	113.9	K451 L455 R456	K451-S453 PolarHBondContact O-N 3Å; K451-S453 VanDerWaalsContact O-N 3.16Å; S453-L455 VanDerWaalsContact C-N 3.33Å; S453-R456 PolarHBondContact O-NH1 3.28Å
454	R	94.6	Very high	91.9	Very high	169 Å²	169	51.5 Å²	51.5	64%	0.638	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-86.8	2	175.8	-62.9	-176.5	176.2	173.5	-1.6	113.3	R413 K451 H452	R413-R454 WeakPolarHBondContact CB-O 3.4Å; R413-R454 PolarHBondContact N-O 3.45Å; K451-R454 WeakPolarHBondContact O-CB 3.27Å; K451-R454 PolarHBondContact O-N 2.83Å; H452-R454 PolarHBondContact O-N 3.39Å; H452-R454 VanDerWaalsContact O-N 3.14Å
455	L	96.4	Very high	91.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	158.7	-179.6	-61.6	177	0	0	0	112	I410 T411 T412 F447 R450 H452 S453 I476	I410-L455 HydrophobicContact CG2-CB 4.35Å; I410-L455 HydrophobicContact CG2-CD1 4.19Å; T411-L455 CarbonylContact O-C 3.48Å; T411-L455 WeakPolarHBondContact O-CA 3.47Å; T411-L455 WeakPolarHBondContact O-CD2 3.38Å; T412-L455 HydrophobicContact CG2-CD2 4.31Å; F447-L455 HydrophobicContact CD1-CD1 3.63Å; F447-L455 HydrophobicContact CE1-CD1 3.38Å; F447-L455 HydrophobicContact CZ-CD1 4.07Å; R450-L455 HydrophobicContact CB-CD1 4.49Å; H452-L455 PolarHBondContact O-N 3.08Å; S453-L455 VanDerWaalsContact C-N 3.33Å; L455-I476 HydrophobicContact CB-CD1 3.97Å
456	R	96.5	Very high	91.1	Very high	11 Å²	11	56.4 Å²	56.4	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.4	176	-68.9	-63.2	-179.1	-87.2	5.2	110.2	T411 R413 S453 Y458	T411-R456 PolarHBondContact N-O 3.17Å; T411-R456 PolarHBondContact O-N 3.37Å; R413-R456 HydrophobicContact CB-CG 4.37Å; S453-R456 PolarHBondContact O-NH1 3.28Å; R456-Y458 HydrophobicContact CB-CD2 4.44Å; R456-Y458 HydrophobicContact CB-CE2 3.77Å
457	V	97.8	Very high	90.6	Very high	0 Å²	0	64 Å²	64	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.4	176.1	-178.9	0	0	0	0	108.6	V408 I409 I410 K473 V474 I476 L498 L500	V408-V457 HydrophobicContact CB-CG1 3.69Å; V408-V457 HydrophobicContact CG1-CG1 4.08Å; V408-V457 HydrophobicContact CG2-CG1 3.94Å; I409-V457 WeakPolarHBondContact O-CA 3.35Å; I410-V457 HydrophobicContact CG1-CG2 4.41Å; V457-K473 WeakPolarHBondContact O-CA 3.32Å; V457-V474 PolarHBondContact N-O 2.95Å; V457-V474 VanDerWaalsContact N-O 3.12Å; V457-V474 PolarHBondContact O-N 3.01Å; V457-I476 HydrophobicContact CG2-CD1 4.02Å; V457-I476 HydrophobicContact CG2-CG1 3.76Å; V457-L498 HydrophobicContact CG2-CD1 4.44Å; V457-L500 HydrophobicContact CB-CD2 4.1Å; V457-L500 HydrophobicContact CG1-CD2 4.34Å; V457-L500 HydrophobicContact CG2-CD2 3.81Å
458	Y	97.1	Very high	90.2	Very high	6 Å²	6	71.6 Å²	71.6	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.3	173.1	-67.3	-98.4	0	0	0	109.4	V408 I409 T411 R456 F464 R469 A472 K473	V408-Y458 CarbonylContact C-O 3.57Å; V408-Y458 VanDerWaalsContact CA-O 3.29Å; V408-Y458 WeakPolarHBondContact CA-O 3.07Å; I409-Y458 PolarHBondContact N-O 3.11Å; I409-Y458 PolarHBondContact O-N 2.67Å; T411-Y458 HydrophobicContact CG2-CD2 4.1Å; T411-Y458 HydrophobicContact CG2-CE2 4.34Å; T411-Y458 VanDerWaalsContact OG1-CE2 3.24Å; T411-Y458 WeakPolarHBondContact OG1-CE2 3.35Å; R456-Y458 HydrophobicContact CB-CD2 4.44Å; R456-Y458 HydrophobicContact CB-CE2 3.77Å; Y458-F464 HydrophobicContact CD1-CD2 4.44Å; Y458-F464 AromaticContact CD1-CE2 3.76Å; Y458-F464 HydrophobicContact CD1-CE2 3.76Å; Y458-F464 AromaticContact CD2-CE2 3.69Å; Y458-F464 HydrophobicContact CD2-CE2 3.69Å; Y458-F464 HydrophobicContact CD2-CZ 4.1Å; Y458-F464 HydrophobicContact CE1-CE2 4.12Å; Y458-F464 HydrophobicContact CE2-CE2 4.07Å; Y458-F464 HydrophobicContact CE2-CZ 4.22Å; Y458-F464 HydrophobicContact CG-CD2 4.21Å; Y458-F464 AromaticContact CG-CE2 3.53Å; Y458-F464 HydrophobicContact CG-CE2 3.53Å; Y458-F464 HydrophobicContact CG-CZ 4.38Å; Y458-R469 HydrophobicContact CD1-CB 4.47Å; Y458-R469 HydrophobicContact CE1-CB 3.72Å; Y458-R469 WeakPolarHBondContact OH-CD 3.47Å; Y458-A472 VanDerWaalsContact CA-O 3.32Å; Y458-A472 WeakPolarHBondContact CA-O 3.45Å; Y458-K473 HydrophobicContact CD1-CB 3.96Å; Y458-K473 HydrophobicContact CD1-CG 4.35Å; Y458-K473 HydrophobicContact CE1-CB 3.61Å; Y458-K473 HydrophobicContact CE1-CD 3.95Å; Y458-K473 HydrophobicContact CE1-CG 3.69Å; Y458-K473 HydrophobicContact CE2-CG 4.37Å; Y458-K473 WeakPolarHBondContact OH-CD 3.5Å; Y458-K473 WeakPolarHBondContact OH-CE 3.08Å
459	A	96.7	Very high	90.5	Very high	4 Å²	4	71.1 Å²	71.1	3%	0.033	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	166.5	-179.8	0	0	0	0	0	111.5	V408 S461 G471 A472 L504 V510	V408-A459 HydrophobicContact CG1-CB 3.91Å; A459-S461 PolarHBondContact O-N 2.92Å; A459-G471 CarbonylContact O-C 3.54Å; A459-G471 WeakPolarHBondContact O-CA 3.32Å; A459-A472 PolarHBondContact N-O 3.38Å; A459-A472 VanDerWaalsContact N-O 3.14Å; A459-A472 PolarHBondContact O-N 3.07Å; A459-L504 HydrophobicContact CB-CD1 3.72Å; A459-V510 HydrophobicContact CB-CG1 3.68Å
460	G	93.7	Very high	90.8	Very high	18 Å²	18	67.8 Å²	67.8	19%	0.186	30%	0.297	C	S	.	.	S	Bend	trans	76.9	13.6	171.7	0	0	0	0	0	116.2	M403	M403-G460 VanDerWaalsContact CE-N 3.33Å
461	S	91.9	Very high	91.3	Very high	17 Å²	17	65.4 Å²	65.4	12%	0.119	30%	0.301	C	S	.	.			trans	-141.5	126.8	172.6	174.1	0	0	0	0	111.3	M403 A459 R463 R470	M403-S461 VanDerWaalsContact CE-N 3.33Å; A459-S461 PolarHBondContact O-N 2.92Å; S461-R463 VanDerWaalsContact C-N 3.31Å; S461-R463 PolarHBondContact O-N 2.78Å; S461-R463 PolarHBondContact OG-N 3.2Å; S461-R463 PolarHBondContact OG-O 3.26Å; S461-R470 WeakPolarHBondContact OG-CB 3.17Å
462	P	88.1	Confident	91.6	Very high	26 Å²	26	61.7 Å²	61.7	17%	0.169	29%	0.287	C	S	.	.	S	Bend	trans	-70	-30.2	176.6	28.4	-34.1	0	0	0	111.5	Q401 M403 R539 I540	Q401-P462 VanDerWaalsContact O-CG 3.22Å; Q401-P462 WeakPolarHBondContact O-CG 3.3Å; M403-P462 HydrophobicContact CB-CB 4.17Å; M403-P462 HydrophobicContact CG-CB 4.21Å; P462-R539 CarbonylContact O-C 3.53Å; P462-R539 WeakPolarHBondContact O-CA 3.41Å; P462-I540 PolarHBondContact O-N 3.38Å
463	R	88.7	Confident	91.8	Very high	159 Å²	159	63.6 Å²	63.6	60%	0.6	30%	0.295	S	S	*	.	B	Isolated β-bridge	trans	-89.9	128.8	176.5	-63.9	-172.2	-174.5	179.6	3.7	110.3	S461	S461-R463 VanDerWaalsContact C-N 3.31Å; S461-R463 PolarHBondContact O-N 2.78Å; S461-R463 PolarHBondContact OG-N 3.2Å; S461-R463 PolarHBondContact OG-O 3.26Å
464	F	89.8	Confident	92	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	28%	0.277	C	S	.	.			trans	-144.1	119.7	173.8	-176.6	-86.7	0	0	0	110.4	I409 T411 Y458 R469 Y533 H538	I409-F464 HydrophobicContact CD1-CB 3.3Å; I409-F464 HydrophobicContact CD1-CD1 4.1Å; I409-F464 HydrophobicContact CD1-CD2 4.06Å; I409-F464 HydrophobicContact CD1-CG 3.55Å; I409-F464 HydrophobicContact CG2-CD1 4.28Å; I409-F464 HydrophobicContact CG2-CE1 4.42Å; T411-F464 HydrophobicContact CG2-CE1 3.63Å; T411-F464 HydrophobicContact CG2-CE2 4.31Å; T411-F464 HydrophobicContact CG2-CZ 3.45Å; T411-F464 VanDerWaalsContact CG2-CZ 3.45Å; Y458-F464 HydrophobicContact CD1-CD2 4.44Å; Y458-F464 AromaticContact CD1-CE2 3.76Å; Y458-F464 HydrophobicContact CD1-CE2 3.76Å; Y458-F464 AromaticContact CD2-CE2 3.69Å; Y458-F464 HydrophobicContact CD2-CE2 3.69Å; Y458-F464 HydrophobicContact CD2-CZ 4.1Å; Y458-F464 HydrophobicContact CE1-CE2 4.12Å; Y458-F464 HydrophobicContact CE2-CE2 4.07Å; Y458-F464 HydrophobicContact CE2-CZ 4.22Å; Y458-F464 HydrophobicContact CG-CD2 4.21Å; Y458-F464 AromaticContact CG-CE2 3.53Å; Y458-F464 HydrophobicContact CG-CE2 3.53Å; Y458-F464 HydrophobicContact CG-CZ 4.38Å; F464-R469 HydrophobicContact CE2-CB 4.05Å; F464-R469 HydrophobicContact CE2-CG 4.4Å; F464-R469 HydrophobicContact CZ-CB 4.43Å; F464-R469 HydrophobicContact CZ-CG 4.29Å; F464-Y533 HydrophobicContact CB-CE2 4.12Å; F464-Y533 HydrophobicContact CD1-CE2 4.3Å; F464-Y533 WeakPolarHBondContact O-CE2 3.47Å; F464-Y533 PolarHBondContact O-OH 3.08Å; F464-H538 CarbonylContact C-O 3.47Å; F464-H538 PolarHBondContact N-O 2.98Å; F464-H538 CarbonylContact O-C 3.54Å; F464-H538 WeakPolarHBondContact O-CB 3.17Å; F464-H538 VanDerWaalsContact O-O 3.09Å
465	S	88.9	Confident	92.2	Very high	24 Å²	24	58.8 Å²	58.8	17%	0.168	27%	0.271	C	S	.	.			trans	-124.5	159.3	170.6	65.9	0	0	0	0	110	L467 R468 R469	S465-L467 PolarHBondContact O-N 3.16Å; S465-R468 PolarHBondContact N-O 3.35Å; S465-R468 CarbonylContact O-C 3.45Å; S465-R468 PolarHBondContact O-N 3.5Å; S465-R468 WeakPolarHBondContact OG-CA 3.44Å; S465-R468 WeakPolarHBondContact OG-CB 3.16Å; S465-R468 PolarHBondContact OG-N 3.4Å; S465-R468 PolarHBondContact OG-O 3.3Å; S465-R469 PolarHBondContact O-N 3.04Å
466	R	84.7	Confident	92.3	Very high	153 Å²	153	59.2 Å²	59.2	58%	0.577	27%	0.274	S	S	*	.	S	Bend	trans	-59.1	-34.1	178.1	-59.2	-178	-168.4	161.4	5.4	111.9	R469	R466-R469 WeakPolarHBondContact O-CG 2.83Å; R466-R469 PolarHBondContact O-NE 2.04Å; R466-R469 VanDerWaalsContact O-NE 3.16Å
467	L	83.5	Confident	92.3	Very high	160 Å²	160	60.6 Å²	60.6	84%	0.838	29%	0.287	S	S	*	.	S	Bend	trans	-80.1	-48.1	178.9	-173.7	63.3	0	0	0	111.7	S465	S465-L467 PolarHBondContact O-N 3.16Å
468	R	85.9	Confident	92.2	Very high	165 Å²	165	63.2 Å²	63.2	62%	0.623	31%	0.306	S	S	*	.	S	Bend	trans	-108.7	85.6	178.3	-59.7	-166.1	172.4	-147.3	8.7	110.3	S465 R470	S465-R468 PolarHBondContact N-O 3.35Å; S465-R468 CarbonylContact O-C 3.45Å; S465-R468 PolarHBondContact O-N 3.5Å; S465-R468 WeakPolarHBondContact OG-CA 3.44Å; S465-R468 WeakPolarHBondContact OG-CB 3.16Å; S465-R468 PolarHBondContact OG-N 3.4Å; S465-R468 PolarHBondContact OG-O 3.3Å; R468-R470 HydrophobicContact CB-CG 4.48Å; R468-R470 PolarHBondContact O-N 2.92Å
469	R	87.2	Confident	92.2	Very high	92 Å²	92	64.4 Å²	64.4	35%	0.347	31%	0.313	S	S	.	.			trans	-78.6	61.5	-178.2	-56.7	176.6	-170.3	177.1	-6.4	111.5	V414 Y458 F464 S465 R466	V414-R469 PolarHBondContact O-NH2 2.85Å; Y458-R469 HydrophobicContact CD1-CB 4.47Å; Y458-R469 HydrophobicContact CE1-CB 3.72Å; Y458-R469 WeakPolarHBondContact OH-CD 3.47Å; F464-R469 HydrophobicContact CE2-CB 4.05Å; F464-R469 HydrophobicContact CE2-CG 4.4Å; F464-R469 HydrophobicContact CZ-CB 4.43Å; F464-R469 HydrophobicContact CZ-CG 4.29Å; S465-R469 PolarHBondContact O-N 3.04Å; R466-R469 WeakPolarHBondContact O-CG 2.83Å; R466-R469 PolarHBondContact O-NE 2.04Å; R466-R469 VanDerWaalsContact O-NE 3.16Å
470	R	89.1	Confident	92.1	Very high	112 Å²	112	67.8 Å²	67.8	42%	0.423	33%	0.33	S	S	.	.			trans	-64.5	156.8	-176.5	-63.2	-178.6	178.3	-162.4	-1.4	111.9	S461 R468	S461-R470 WeakPolarHBondContact OG-CB 3.17Å; R468-R470 HydrophobicContact CB-CG 4.48Å; R468-R470 PolarHBondContact O-N 2.92Å
471	G	92.6	Very high	92.1	Very high	40 Å²	40	67.9 Å²	67.9	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	94	176.7	179.1	0	0	0	0	0	114	A459 K473	A459-G471 CarbonylContact O-C 3.54Å; A459-G471 WeakPolarHBondContact O-CA 3.32Å; G471-K473 PolarHBondContact O-N 3.39Å
472	A	96	Very high	92.2	Very high	14 Å²	14	67.5 Å²	67.5	12%	0.116	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.3	179.7	0	0	0	0	0	110.8	Y458 A459 L504 D508	Y458-A472 VanDerWaalsContact CA-O 3.32Å; Y458-A472 WeakPolarHBondContact CA-O 3.45Å; A459-A472 PolarHBondContact N-O 3.38Å; A459-A472 VanDerWaalsContact N-O 3.14Å; A459-A472 PolarHBondContact O-N 3.07Å; A472-L504 HydrophobicContact CB-CD2 3.73Å; A472-D508 HydrophobicContact CB-CB 3.76Å; A472-D508 WeakPolarHBondContact CB-OD1 3.14Å
473	K	96.2	Very high	92.1	Very high	107 Å²	107	67 Å²	67	47%	0.465	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.3	178.4	179.7	-174.2	177	-172.5	0	111	V457 Y458 G471	V457-K473 WeakPolarHBondContact O-CA 3.32Å; Y458-K473 HydrophobicContact CD1-CB 3.96Å; Y458-K473 HydrophobicContact CD1-CG 4.35Å; Y458-K473 HydrophobicContact CE1-CB 3.61Å; Y458-K473 HydrophobicContact CE1-CD 3.95Å; Y458-K473 HydrophobicContact CE1-CG 3.69Å; Y458-K473 HydrophobicContact CE2-CG 4.37Å; Y458-K473 WeakPolarHBondContact OH-CD 3.5Å; Y458-K473 WeakPolarHBondContact OH-CE 3.08Å; G471-K473 PolarHBondContact O-N 3.39Å
474	V	97.5	Very high	91.8	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.1	-179.5	-172.1	0	0	0	0	111.9	V457 L500 R502 L504	V457-V474 PolarHBondContact N-O 2.95Å; V457-V474 VanDerWaalsContact N-O 3.12Å; V457-V474 PolarHBondContact O-N 3.01Å; V474-L500 HydrophobicContact CG1-CB 3.86Å; V474-L500 HydrophobicContact CG1-CD1 4.31Å; V474-L500 HydrophobicContact CG1-CD2 4.36Å; V474-L500 HydrophobicContact CG1-CG 4.4Å; V474-R502 HydrophobicContact CG1-CG 3.71Å; V474-R502 HydrophobicContact CG2-CG 4.11Å; V474-L504 HydrophobicContact CG2-CD2 3.55Å; V474-L504 HydrophobicContact CG2-CG 4.09Å
475	K	97.9	Very high	91.1	Very high	120 Å²	120	64.4 Å²	64.4	52%	0.522	33%	0.325	S	S	.	.			trans	-83.1	148.5	172	-66.7	-179.9	-175.5	171.1	0	109.7	Q501	K475-Q501 HydrophobicContact CB-CB 4Å; K475-Q501 WeakPolarHBondContact O-CB 3.21Å; K475-Q501 PolarHBondContact O-N 2.75Å
476	I	98.1	Very high	90.2	Very high	9 Å²	9	65.2 Å²	65.2	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.4	172.7	-57.5	164.9	0	0	0	107.3	F447 H452 L455 V457 S478 V479 L498	F447-I476 HydrophobicContact CE1-CD1 4.16Å; F447-I476 HydrophobicContact CZ-CD1 4.28Å; H452-I476 HydrophobicContact CB-CB 4.37Å; H452-I476 HydrophobicContact CB-CG2 4.06Å; L455-I476 HydrophobicContact CB-CD1 3.97Å; V457-I476 HydrophobicContact CG2-CD1 4.02Å; V457-I476 HydrophobicContact CG2-CG1 3.76Å; I476-S478 WeakPolarHBondContact CG2-O 3.29Å; I476-V479 HydrophobicContact CG2-CG2 3.5Å; I476-V479 VanDerWaalsContact CG2-CG2 3.5Å; I476-L498 HydrophobicContact CD1-CD1 4.24Å; I476-L498 HydrophobicContact CG2-CB 4.28Å
477	A	97.4	Very high	89.2	Confident	39 Å²	39	62.9 Å²	62.9	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-46.8	177.4	0	0	0	0	0	111.2	K499	A477-K499 HydrophobicContact CB-CG 4.46Å; A477-K499 PolarHBondContact N-O 3.29Å
478	S	96.3	Very high	88.2	Confident	56 Å²	56	61.1 Å²	61.1	39%	0.392	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.7	177.6	67.2	0	0	0	0	111.7	I476 K499	I476-S478 WeakPolarHBondContact CG2-O 3.29Å; S478-K499 PolarHBondContact N-O 2.86Å; S478-K499 PolarHBondContact O-N 3.04Å; S478-K499 WeakPolarHBondContact OG-CB 3.41Å
479	V	95.8	Very high	87.1	Confident	30 Å²	30	63.4 Å²	63.4	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128.7	-179.2	178.6	0	0	0	0	109.1	F447 H452 I476 L481 A496 L498	F447-V479 HydrophobicContact CD1-CG1 4.18Å; F447-V479 HydrophobicContact CD1-CG2 4.22Å; F447-V479 HydrophobicContact CD2-CG1 4.13Å; F447-V479 HydrophobicContact CE1-CG1 4.26Å; F447-V479 HydrophobicContact CE1-CG2 3.76Å; F447-V479 HydrophobicContact CE2-CG1 4.26Å; F447-V479 HydrophobicContact CG-CG1 4.12Å; F447-V479 HydrophobicContact CZ-CG1 4.33Å; F447-V479 HydrophobicContact CZ-CG2 4.14Å; H452-V479 HydrophobicContact CB-CB 4.45Å; H452-V479 HydrophobicContact CB-CG2 3.45Å; H452-V479 VanDerWaalsContact CB-CG2 3.45Å; I476-V479 HydrophobicContact CG2-CG2 3.5Å; I476-V479 VanDerWaalsContact CG2-CG2 3.5Å; V479-L481 HydrophobicContact CG1-CD2 3.43Å; V479-L481 VanDerWaalsContact CG1-CD2 3.43Å; V479-L481 HydrophobicContact CG1-CG 4.04Å; V479-A496 HydrophobicContact CG1-CB 4.4Å; V479-L498 HydrophobicContact CB-CD2 4.19Å; V479-L498 HydrophobicContact CG1-CD2 3.68Å; V479-L498 HydrophobicContact CG2-CD2 3.71Å
480	L	94.7	Very high	86.4	Confident	75 Å²	75	67.3 Å²	67.3	39%	0.393	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.5	170.8	-59.1	173.9	0	0	0	108.2	Y482 A496 I497	L480-Y482 HydrophobicContact CB-CE2 3.65Å; L480-Y482 WeakPolarHBondContact CD1-OH 3.42Å; L480-A496 CarbonylContact O-C 3.51Å; L480-A496 VanDerWaalsContact O-CA 3.24Å; L480-A496 WeakPolarHBondContact O-CA 3.36Å; L480-I497 PolarHBondContact N-O 2.88Å; L480-I497 PolarHBondContact O-N 2.89Å
481	L	94.8	Very high	85.9	Confident	20 Å²	20	67.5 Å²	67.5	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	-177.1	-57.5	-178.3	0	0	0	109.5	A444 F447 V479 A496 T634 L635	A444-L481 HydrophobicContact CB-CB 4.36Å; A444-L481 HydrophobicContact CB-CD2 4.15Å; F447-L481 HydrophobicContact CB-CD1 4.12Å; F447-L481 HydrophobicContact CB-CD2 3.87Å; F447-L481 HydrophobicContact CD2-CD2 3.91Å; F447-L481 HydrophobicContact CG-CD2 4.08Å; V479-L481 HydrophobicContact CG1-CD2 3.43Å; V479-L481 VanDerWaalsContact CG1-CD2 3.43Å; V479-L481 HydrophobicContact CG1-CG 4.04Å; L481-A496 HydrophobicContact CD2-CB 3.65Å; L481-T634 CarbonylContact O-C 3.47Å; L481-T634 VanDerWaalsContact O-CA 3.23Å; L481-T634 WeakPolarHBondContact O-CA 3.38Å; L481-T634 WeakPolarHBondContact O-CB 3.48Å; L481-L635 HydrophobicContact CB-CB 4.16Å; L481-L635 PolarHBondContact O-N 3.47Å
482	Y	92.3	Very high	85.4	Confident	10 Å²	10	70.9 Å²	70.9	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.8	-179	-62.3	-77.5	0	0	0	111.8	L480 G494 V495 I497 I622 V626 V632 T634	L480-Y482 HydrophobicContact CB-CE2 3.65Å; L480-Y482 WeakPolarHBondContact CD1-OH 3.42Å; Y482-G494 CarbonylContact O-C 3.58Å; Y482-G494 WeakPolarHBondContact O-CA 3.49Å; Y482-G494 PolarHBondContact O-N 2.95Å; Y482-V495 HydrophobicContact CD2-CG2 4.33Å; Y482-V495 PolarHBondContact N-O 3.04Å; Y482-V495 PolarHBondContact O-N 3.36Å; Y482-I497 HydrophobicContact CD2-CD1 4.4Å; Y482-I497 HydrophobicContact CD2-CG1 4.31Å; Y482-I497 HydrophobicContact CE2-CB 4.44Å; Y482-I497 HydrophobicContact CE2-CD1 3.75Å; Y482-I497 HydrophobicContact CE2-CG1 3.9Å; Y482-I622 HydrophobicContact CD1-CD1 3.84Å; Y482-I622 HydrophobicContact CD1-CG1 4.17Å; Y482-I622 HydrophobicContact CG-CD1 3.87Å; Y482-I622 HydrophobicContact CG-CG1 4.18Å; Y482-V626 HydrophobicContact CE1-CG2 3.73Å; Y482-V626 HydrophobicContact CE2-CG2 4Å; Y482-V626 WeakPolarHBondContact OH-CG1 3.48Å; Y482-V626 VanDerWaalsContact OH-CG2 3.26Å; Y482-V626 WeakPolarHBondContact OH-CG2 3.39Å; Y482-V632 HydrophobicContact CD1-CB 4.39Å; Y482-V632 HydrophobicContact CD1-CG1 4.01Å; Y482-V632 HydrophobicContact CE1-CB 4.04Å; Y482-V632 HydrophobicContact CE1-CG1 4.18Å; Y482-T634 HydrophobicContact CD1-CG2 4.3Å; Y482-T634 HydrophobicContact CE1-CG2 3.75Å
483	G	87.6	Confident	85.1	Confident	15 Å²	15	71.5 Å²	71.5	16%	0.155	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	156.6	178.6	0	0	0	0	0	112.2	R492	G483-R492 CarbonylContact C-O 3.45Å; G483-R492 VanDerWaalsContact CA-O 3.24Å; G483-R492 WeakPolarHBondContact CA-O 3.49Å
484	L	81	Confident	84.9	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.094	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.6	166.6	-70.3	174.5	0	0	0	109.7	W486 I491 R492 L599 F616	L484-W486 PolarHBondContact O-N 2.85Å; L484-I491 WeakPolarHBondContact O-CA 3.35Å; L484-R492 PolarHBondContact N-O 3.03Å; L484-R492 PolarHBondContact O-N 3.28Å; L484-L599 HydrophobicContact CD1-CD1 3.4Å; L484-F616 HydrophobicContact CD1-CE1 4.19Å
485	P	75.5	Confident	84.7	Confident	88 Å²	88	66.2 Å²	66.2	57%	0.571	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.1	164.8	-21.1	32.8	0	0	0	110.3
486	W	70.2	Confident	84.7	Confident	42 Å²	42	60.5 Å²	60.5	16%	0.159	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	166.6	177	-162.2	-91.3	0	0	0	110	L484 K489 R490 R492 L554 F564 F616	L484-W486 PolarHBondContact O-N 2.85Å; W486-K489 PolarHBondContact O-N 3.44Å; W486-R490 WeakPolarHBondContact CA-O 3.43Å; W486-R490 WeakPolarHBondContact CB-O 3.08Å; W486-R490 PolarHBondContact N-O 3.19Å; W486-R490 PolarHBondContact O-N 2.97Å; W486-R492 HydrophobicContact CB-CG 3.87Å; W486-R492 HydrophobicContact CD2-CG 4.18Å; W486-R492 VanDerWaalsContact CE3-CD 3.49Å; W486-R492 HydrophobicContact CE3-CG 4.44Å; W486-R492 VanDerWaalsContact CG-CD 3.45Å; W486-R492 HydrophobicContact CG-CG 3.92Å; W486-L554 HydrophobicContact CH2-CD1 3.99Å; W486-L554 HydrophobicContact CZ2-CD1 4.28Å; W486-F564 HydrophobicContact CB-CE1 4.3Å; W486-F564 HydrophobicContact CD2-CD1 4.03Å; W486-F564 AromaticContact CD2-CE1 3.51Å; W486-F564 HydrophobicContact CD2-CE1 3.51Å; W486-F564 AromaticContact CE2-CE1 3.83Å; W486-F564 AromaticContact CE3-CD1 3.67Å; W486-F564 HydrophobicContact CE3-CD1 3.67Å; W486-F564 AromaticContact CE3-CE1 3.67Å; W486-F564 HydrophobicContact CE3-CE1 3.67Å; W486-F564 AromaticContact CG-CE1 3.82Å; W486-F564 HydrophobicContact CG-CE1 3.82Å; W486-F564 HydrophobicContact CH2-CD1 4.45Å; W486-F564 HydrophobicContact CH2-CE1 4.43Å; W486-F564 HydrophobicContact CZ2-CE1 4.29Å; W486-F564 AromaticContact CZ3-CD1 3.91Å; W486-F564 HydrophobicContact CZ3-CD1 3.91Å; W486-F564 HydrophobicContact CZ3-CE1 4.14Å; W486-F616 HydrophobicContact CZ3-CE1 4.06Å; W486-F616 HydrophobicContact CZ3-CE2 4.22Å; W486-F616 AromaticContact CZ3-CZ 3.79Å; W486-F616 HydrophobicContact CZ3-CZ 3.79Å
487	E	62.8	Low	84.6	Confident	104 Å²	104	60.6 Å²	60.6	49%	0.486	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	147	176.4	-135.5	169.9	-162.5	0	0	112.9	P562 F564	E487-P562 HydrophobicContact CG-CG 4.24Å; E487-F564 HydrophobicContact CB-CE1 4.4Å; E487-F564 HydrophobicContact CB-CZ 3.74Å; E487-F564 HydrophobicContact CG-CZ 4.1Å; E487-F564 VanDerWaalsContact N-CE1 3.34Å
488	N	62.7	Low	84.7	Confident	123 Å²	123	58.8 Å²	58.8	66%	0.658	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	34.4	-179.6	-52.4	-37.9	0	0	0	114.3	R490	N488-R490 HydrophobicContact CB-CG 4.49Å; N488-R490 PolarHBondContact O-N 3.33Å; N488-R490 VanDerWaalsContact O-N 3.09Å
489	K	63.3	Low	84.7	Confident	213 Å²	213	59.9 Å²	59.9	93%	0.926	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	21	-179.1	-55.6	177.6	178.5	178.1	0	113.4	W486	W486-K489 PolarHBondContact O-N 3.44Å
490	R	73.2	Confident	84.9	Confident	173 Å²	173	58.6 Å²	58.6	65%	0.653	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.8	178.9	-65.5	-176.8	179.8	-175.1	1.1	109.5	W486 N488	W486-R490 WeakPolarHBondContact CA-O 3.43Å; W486-R490 WeakPolarHBondContact CB-O 3.08Å; W486-R490 PolarHBondContact N-O 3.19Å; W486-R490 PolarHBondContact O-N 2.97Å; N488-R490 HydrophobicContact CB-CG 4.49Å; N488-R490 PolarHBondContact O-N 3.33Å; N488-R490 VanDerWaalsContact O-N 3.09Å
491	I	77.7	Confident	85	Confident	117 Å²	117	61.4 Å²	61.4	60%	0.6	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	123	172.7	-55.2	176.4	0	0	0	108.6	L484 L635	L484-I491 WeakPolarHBondContact O-CA 3.35Å; I491-L635 HydrophobicContact CG2-CD2 3.66Å
492	R	83	Confident	85.1	Confident	110 Å²	110	64.7 Å²	64.7	42%	0.415	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	158.6	172.5	-69.3	-175.5	75.4	131.3	-1.1	110.8	G483 L484 W486 G494	G483-R492 CarbonylContact C-O 3.45Å; G483-R492 VanDerWaalsContact CA-O 3.24Å; G483-R492 WeakPolarHBondContact CA-O 3.49Å; L484-R492 PolarHBondContact N-O 3.03Å; L484-R492 PolarHBondContact O-N 3.28Å; W486-R492 HydrophobicContact CB-CG 3.87Å; W486-R492 HydrophobicContact CD2-CG 4.18Å; W486-R492 VanDerWaalsContact CE3-CD 3.49Å; W486-R492 HydrophobicContact CE3-CG 4.44Å; W486-R492 VanDerWaalsContact CG-CD 3.45Å; W486-R492 HydrophobicContact CG-CG 3.92Å; R492-G494 PolarHBondContact O-N 2.92Å
493	A	88.7	Confident	85.4	Confident	28 Å²	28	66.6 Å²	66.6	23%	0.231	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	117	171.5	0	0	0	0	0	109.8	A444 E445 L635	A444-A493 HydrophobicContact CB-CB 4.05Å; E445-A493 HydrophobicContact CB-CB 4.09Å; A493-L635 HydrophobicContact CB-CD1 4.48Å
494	G	91.6	Very high	85.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-121.1	177.8	0	0	0	0	0	111.5	A444 Y482 R492 L599	A444-G494 WeakPolarHBondContact CB-O 3.41Å; A444-G494 PolarHBondContact N-O 3.16Å; Y482-G494 CarbonylContact O-C 3.58Å; Y482-G494 WeakPolarHBondContact O-CA 3.49Å; Y482-G494 PolarHBondContact O-N 2.95Å; R492-G494 PolarHBondContact O-N 2.92Å; G494-L599 VanDerWaalsContact O-CD2 3.3Å; G494-L599 WeakPolarHBondContact O-CD2 3.44Å
495	V	95.1	Very high	86.6	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	155	-177.9	-58.8	0	0	0	0	112.2	T442 Y482 V597 I622 V623	T442-V495 CarbonylContact O-C 3.54Å; T442-V495 WeakPolarHBondContact O-CA 3.44Å; Y482-V495 HydrophobicContact CD2-CG2 4.33Å; Y482-V495 PolarHBondContact N-O 3.04Å; Y482-V495 PolarHBondContact O-N 3.36Å; V495-V597 HydrophobicContact CG1-CB 3.92Å; V495-V597 HydrophobicContact CG1-CG1 4.37Å; V495-V597 HydrophobicContact CG1-CG2 3.93Å; V495-I622 HydrophobicContact CG2-CG2 3.51Å; V495-V623 HydrophobicContact CG2-CG2 4.19Å
496	A	96.3	Very high	87.5	Confident	0 Å²	0	67 Å²	67	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.2	168.6	0	0	0	0	0	110.2	T442 A444 F447 V479 L480 L481 L498	T442-A496 HydrophobicContact CG2-CB 3.9Å; T442-A496 PolarHBondContact N-O 2.72Å; T442-A496 PolarHBondContact O-N 2.97Å; A444-A496 HydrophobicContact CB-CB 4.49Å; F447-A496 HydrophobicContact CD2-CB 4.16Å; F447-A496 HydrophobicContact CE2-CB 4.15Å; V479-A496 HydrophobicContact CG1-CB 4.4Å; L480-A496 CarbonylContact O-C 3.51Å; L480-A496 VanDerWaalsContact O-CA 3.24Å; L480-A496 WeakPolarHBondContact O-CA 3.36Å; L481-A496 HydrophobicContact CD2-CB 3.65Å; A496-L498 HydrophobicContact CB-CD2 4.1Å
497	I	97.2	Very high	88.5	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	172.8	-54.4	-177.8	0	0	0	107.2	V439 L441 L480 Y482 V623 V626 F627	V439-I497 HydrophobicContact CG1-CG2 3.82Å; L441-I497 HydrophobicContact CD2-CB 4.39Å; L441-I497 HydrophobicContact CD2-CD1 4.43Å; L441-I497 HydrophobicContact CD2-CG1 3.73Å; L441-I497 HydrophobicContact CD2-CG2 4.43Å; L480-I497 PolarHBondContact N-O 2.88Å; L480-I497 PolarHBondContact O-N 2.89Å; Y482-I497 HydrophobicContact CD2-CD1 4.4Å; Y482-I497 HydrophobicContact CD2-CG1 4.31Å; Y482-I497 HydrophobicContact CE2-CB 4.44Å; Y482-I497 HydrophobicContact CE2-CD1 3.75Å; Y482-I497 HydrophobicContact CE2-CG1 3.9Å; I497-V623 HydrophobicContact CD1-CG1 4.17Å; I497-V623 HydrophobicContact CD1-CG2 4.41Å; I497-V626 HydrophobicContact CD1-CB 4.09Å; I497-V626 HydrophobicContact CD1-CG1 3.9Å; I497-V626 HydrophobicContact CD1-CG2 4.4Å; I497-F627 HydrophobicContact CD1-CE1 4.02Å; I497-F627 HydrophobicContact CD1-CZ 4.5Å; I497-F627 HydrophobicContact CG2-CE1 4.11Å; I497-F627 HydrophobicContact CG2-CZ 4.42Å
498	L	97.9	Very high	90.1	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.6	178.7	-33.6	-178.7	0	0	0	109.3	I410 V439 V440 T442 F447 V457 I476 V479 A496	I410-L498 HydrophobicContact CD1-CD1 3.92Å; V439-L498 WeakPolarHBondContact CA-O 3.46Å; V440-L498 HydrophobicContact CB-CB 4.09Å; V440-L498 HydrophobicContact CB-CD1 4.07Å; V440-L498 HydrophobicContact CB-CG 4.12Å; V440-L498 HydrophobicContact CG1-CD1 3.84Å; V440-L498 HydrophobicContact CG1-CG 4.21Å; V440-L498 PolarHBondContact N-O 2.61Å; V440-L498 PolarHBondContact O-N 3.21Å; T442-L498 HydrophobicContact CG2-CD1 4.16Å; T442-L498 HydrophobicContact CG2-CD2 4.14Å; T442-L498 HydrophobicContact CG2-CG 4.25Å; F447-L498 HydrophobicContact CE1-CD2 4.28Å; F447-L498 HydrophobicContact CE2-CD1 4.4Å; F447-L498 HydrophobicContact CE2-CD2 3.49Å; F447-L498 VanDerWaalsContact CE2-CD2 3.49Å; F447-L498 HydrophobicContact CZ-CD1 3.87Å; F447-L498 HydrophobicContact CZ-CD2 3.36Å; F447-L498 HydrophobicContact CZ-CG 4.29Å; V457-L498 HydrophobicContact CG2-CD1 4.44Å; I476-L498 HydrophobicContact CD1-CD1 4.24Å; I476-L498 HydrophobicContact CG2-CB 4.28Å; V479-L498 HydrophobicContact CB-CD2 4.19Å; V479-L498 HydrophobicContact CG1-CD2 3.68Å; V479-L498 HydrophobicContact CG2-CD2 3.71Å; A496-L498 HydrophobicContact CB-CD2 4.1Å
499	K	97.9	Very high	91.5	Very high	78 Å²	78	67.9 Å²	67.9	34%	0.339	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.8	163.3	-172.7	71.4	176.6	-176.9	0	108.5	D438 V439 A477 S478	D438-K499 VanDerWaalsContact CG-CE 3.41Å; D438-K499 WeakPolarHBondContact OD1-CE 3.04Å; D438-K499 IonicContact OD1-NZ 2.79Å; D438-K499 PolarHBondContact OD1-NZ 3.19Å; D438-K499 WeakPolarHBondContact OD2-CE 3.28Å; D438-K499 IonicContact OD2-NZ 2.58Å; D438-K499 PolarHBondContact OD2-NZ 2.8Å; V439-K499 HydrophobicContact CG2-CD 4.45Å; A477-K499 HydrophobicContact CB-CG 4.46Å; A477-K499 PolarHBondContact N-O 3.29Å; S478-K499 PolarHBondContact N-O 2.86Å; S478-K499 PolarHBondContact O-N 3.04Å; S478-K499 WeakPolarHBondContact OG-CB 3.41Å
500	L	98.4	Very high	93.1	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	148.2	174.7	-59	-176.1	0	0	0	110.4	L424 D438 V440 V457 V474 R502 L504	L424-L500 HydrophobicContact CD1-CD1 4.43Å; D438-L500 HydrophobicContact CB-CB 4.11Å; D438-L500 WeakPolarHBondContact O-CB 3.33Å; D438-L500 WeakPolarHBondContact O-CG 3.28Å; D438-L500 PolarHBondContact O-N 2.81Å; V440-L500 HydrophobicContact CG2-CD1 4Å; V440-L500 HydrophobicContact CG2-CD2 4.12Å; V440-L500 HydrophobicContact CG2-CG 4.14Å; V457-L500 HydrophobicContact CB-CD2 4.1Å; V457-L500 HydrophobicContact CG1-CD2 4.34Å; V457-L500 HydrophobicContact CG2-CD2 3.81Å; V474-L500 HydrophobicContact CG1-CB 3.86Å; V474-L500 HydrophobicContact CG1-CD1 4.31Å; V474-L500 HydrophobicContact CG1-CD2 4.36Å; V474-L500 HydrophobicContact CG1-CG 4.4Å; L500-R502 VanDerWaalsContact CB-O 3.3Å; L500-R502 WeakPolarHBondContact CB-O 3.18Å; L500-R502 PolarHBondContact O-N 3.38Å; L500-L504 HydrophobicContact CD1-CD1 3.88Å; L500-L504 HydrophobicContact CD1-CG 4.09Å
501	Q	97.8	Very high	94.2	Very high	134 Å²	134	49.7 Å²	49.7	63%	0.626	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	-29.8	177.3	-167.2	76.5	36.3	0	0	112.6	K475	K475-Q501 HydrophobicContact CB-CB 4Å; K475-Q501 WeakPolarHBondContact O-CB 3.21Å; K475-Q501 PolarHBondContact O-N 2.75Å
502	R	97.3	Very high	95.1	Very high	89 Å²	89	44.2 Å²	44.2	34%	0.336	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.8	171.7	68.5	171.2	-171.8	87.9	-11.9	109	V474 L500 D508	V474-R502 HydrophobicContact CG1-CG 3.71Å; V474-R502 HydrophobicContact CG2-CG 4.11Å; L500-R502 VanDerWaalsContact CB-O 3.3Å; L500-R502 WeakPolarHBondContact CB-O 3.18Å; L500-R502 PolarHBondContact O-N 3.38Å; R502-D508 IonicContact CZ-OD1 2.99Å; R502-D508 IonicContact CZ-OD2 2.63Å; R502-D508 IonicContact NH1-OD1 2.98Å; R502-D508 PolarHBondContact NH1-OD1 2.84Å; R502-D508 IonicContact NH1-OD2 3.9Å; R502-D508 PolarHBondContact NH1-OD2 3.47Å; R502-D508 IonicContact NH2-OD1 3.7Å; R502-D508 PolarHBondContact NH2-OD1 3.14Å; R502-D508 IonicContact NH2-OD2 2.74Å
503	P	97.9	Very high	95.9	Very high	49 Å²	49	39 Å²	39	32%	0.318	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	146.2	168.2	28.3	-33.7	0	0	0	110.7	S437 D438 L505	S437-P503 WeakPolarHBondContact O-CA 3.4Å; D438-P503 HydrophobicContact CB-CB 4.09Å; P503-L505 WeakPolarHBondContact O-CD1 3.45Å
504	L	97.9	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.4	164.4	-71.2	168.5	0	0	0	108.1	L424 S436 S437 A459 A472 V474 L500 D508 V510	L424-L504 HydrophobicContact CD1-CD1 4.3Å; L424-L504 HydrophobicContact CD2-CB 4.16Å; S436-L504 VanDerWaalsContact CA-O 3.24Å; S436-L504 WeakPolarHBondContact CA-O 3.2Å; S436-L504 WeakPolarHBondContact CB-O 3.32Å; S437-L504 PolarHBondContact N-O 2.9Å; S437-L504 PolarHBondContact O-N 2.81Å; A459-L504 HydrophobicContact CB-CD1 3.72Å; A472-L504 HydrophobicContact CB-CD2 3.73Å; V474-L504 HydrophobicContact CG2-CD2 3.55Å; V474-L504 HydrophobicContact CG2-CG 4.09Å; L500-L504 HydrophobicContact CD1-CD1 3.88Å; L500-L504 HydrophobicContact CD1-CG 4.09Å; L504-D508 WeakPolarHBondContact CA-OD2 3.32Å; L504-D508 HydrophobicContact CD2-CB 3.9Å; L504-V510 HydrophobicContact CB-CG2 3.64Å
505	L	96	Very high	96.6	Very high	61 Å²	61	38.9 Å²	38.9	32%	0.319	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	167.7	-175.1	-61.4	97.4	0	0	0	110.5	P503 K507 D508 V510	P503-L505 WeakPolarHBondContact O-CD1 3.45Å; L505-K507 HydrophobicContact CB-CG 3.93Å; L505-K507 PolarHBondContact O-N 2.93Å; L505-D508 PolarHBondContact N-OD2 2.94Å; L505-D508 WeakPolarHBondContact O-CA 3.47Å; L505-D508 WeakPolarHBondContact O-CB 3.29Å; L505-D508 PolarHBondContact O-N 3.41Å; L505-V510 WeakPolarHBondContact O-CG2 3.25Å
506	R	93.5	Very high	96.6	Very high	69 Å²	69	38.9 Å²	38.9	26%	0.26	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-50.5	-32.3	172.7	-179.6	58	-174.5	70.5	7.9	114.4	V379 T386 F387 N435 D508 N509 V510	V379-R506 HydrophobicContact CG2-CG 4.46Å; T386-R506 PolarHBondContact O-NH2 2.94Å; T386-R506 PolarHBondContact OG1-NE 3.15Å; F387-R506 VanDerWaalsContact CZ-CZ 3.5Å; N435-R506 PolarHBondContact O-N 2.84Å; R506-D508 VanDerWaalsContact C-N 3.29Å; R506-D508 PolarHBondContact O-N 2.01Å; R506-N509 PolarHBondContact O-N 2.77Å; R506-N509 VanDerWaalsContact O-N 3.16Å; R506-V510 WeakPolarHBondContact CA-O 3.32Å
507	K	92.6	Very high	96.5	Very high	170 Å²	170	46.5 Å²	46.5	74%	0.739	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68.7	-21.2	174.8	65.1	172	-179.1	-179.2	0	114.4	L505 N509	L505-K507 HydrophobicContact CB-CG 3.93Å; L505-K507 PolarHBondContact O-N 2.93Å; K507-N509 PolarHBondContact O-N 2.94Å
508	D	95.1	Very high	96.1	Very high	25 Å²	25	50.7 Å²	50.7	13%	0.134	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-80.4	13	171.5	-65.3	-69.2	0	0	0	111.4	A472 R502 L504 L505 R506 V510	A472-D508 HydrophobicContact CB-CB 3.76Å; A472-D508 WeakPolarHBondContact CB-OD1 3.14Å; R502-D508 IonicContact CZ-OD1 2.99Å; R502-D508 IonicContact CZ-OD2 2.63Å; R502-D508 IonicContact NH1-OD1 2.98Å; R502-D508 PolarHBondContact NH1-OD1 2.84Å; R502-D508 IonicContact NH1-OD2 3.9Å; R502-D508 PolarHBondContact NH1-OD2 3.47Å; R502-D508 IonicContact NH2-OD1 3.7Å; R502-D508 PolarHBondContact NH2-OD1 3.14Å; R502-D508 IonicContact NH2-OD2 2.74Å; L504-D508 WeakPolarHBondContact CA-OD2 3.32Å; L504-D508 HydrophobicContact CD2-CB 3.9Å; L505-D508 PolarHBondContact N-OD2 2.94Å; L505-D508 WeakPolarHBondContact O-CA 3.47Å; L505-D508 WeakPolarHBondContact O-CB 3.29Å; L505-D508 PolarHBondContact O-N 3.41Å; R506-D508 VanDerWaalsContact C-N 3.29Å; R506-D508 PolarHBondContact O-N 2.01Å; D508-V510 HydrophobicContact CB-CG2 4.36Å; D508-V510 PolarHBondContact O-N 3.38Å
509	N	93.8	Very high	95.6	Very high	92 Å²	92	54.7 Å²	54.7	49%	0.492	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	41.6	-174.7	-64.5	-29	0	0	0	113.8	R506 K507	R506-N509 PolarHBondContact O-N 2.77Å; R506-N509 VanDerWaalsContact O-N 3.16Å; K507-N509 PolarHBondContact O-N 2.94Å
510	V	96	Very high	95.2	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.018	25%	0.246	C	C	.	.			trans	-130.4	154.8	176.9	-57.8	0	0	0	0	112.9	P405 L424 A459 L504 L505 R506 D508	P405-V510 WeakPolarHBondContact O-CA 3.36Å; P405-V510 WeakPolarHBondContact O-CB 3.5Å; P405-V510 VanDerWaalsContact O-CG1 3.32Å; P405-V510 WeakPolarHBondContact O-CG1 3.21Å; L424-V510 HydrophobicContact CD2-CB 4.11Å; L424-V510 HydrophobicContact CD2-CG2 3.76Å; A459-V510 HydrophobicContact CB-CG1 3.68Å; L504-V510 HydrophobicContact CB-CG2 3.64Å; L505-V510 WeakPolarHBondContact O-CG2 3.25Å; R506-V510 WeakPolarHBondContact CA-O 3.32Å; D508-V510 HydrophobicContact CB-CG2 4.36Å; D508-V510 PolarHBondContact O-N 3.38Å
511	V	96	Very high	94.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	26%	0.26	C	S	.	.			trans	-141	134.6	165.1	167.8	0	0	0	0	106.4	V379 Y380 F387 P405 W406	V379-V511 HydrophobicContact CG1-CB 4.43Å; V379-V511 HydrophobicContact CG1-CG1 3.89Å; V379-V511 HydrophobicContact CG1-CG2 3.7Å; Y380-V511 WeakPolarHBondContact O-CG1 3.03Å; F387-V511 HydrophobicContact CD2-CG2 4.34Å; F387-V511 HydrophobicContact CE2-CB 4.2Å; F387-V511 HydrophobicContact CE2-CG2 3.49Å; F387-V511 VanDerWaalsContact CE2-CG2 3.49Å; F387-V511 HydrophobicContact CZ-CG2 4.16Å; P405-V511 CarbonylContact C-O 3.47Å; P405-V511 HydrophobicContact CG-CB 4.28Å; P405-V511 PolarHBondContact O-N 3.1Å; W406-V511 WeakPolarHBondContact CA-O 3.41Å; W406-V511 WeakPolarHBondContact CB-O 3.23Å; W406-V511 PolarHBondContact N-O 2.79Å
512	P	97.8	Very high	94.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.013	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.6	148.5	179.1	27.5	-34.8	0	0	0	112.2	C381 G382 L424 H426 V434	C381-P512 CarbonylContact C-O 3.48Å; C381-P512 WeakPolarHBondContact CA-O 2.97Å; C381-P512 HydrophobicContact CB-CG 4.49Å; C381-P512 WeakPolarHBondContact CB-O 3.28Å; G382-P512 PolarHBondContact N-O 2.86Å; L424-P512 HydrophobicContact CD2-CB 4.45Å; L424-P512 HydrophobicContact CG-CB 4.29Å; L424-P512 CarbonylContact O-C 3.46Å; L424-P512 VanDerWaalsContact O-CA 3.26Å; L424-P512 WeakPolarHBondContact O-CA 3.18Å; H426-P512 HydrophobicContact CB-CB 4.09Å; H426-P512 HydrophobicContact CB-CG 4.12Å; V434-P512 HydrophobicContact CG1-CG 3.91Å; V434-P512 HydrophobicContact CG2-CG 4.07Å
513	V	98	Very high	94	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-80.4	149.3	169.5	70.1	0	0	0	0	110.3	W406 L424 V425 H426 V585 A592 Q594	W406-V513 HydrophobicContact CB-CB 4.04Å; W406-V513 HydrophobicContact CB-CG1 4.38Å; W406-V513 HydrophobicContact CD2-CB 3.59Å; W406-V513 HydrophobicContact CD2-CG2 4.03Å; W406-V513 HydrophobicContact CE3-CB 3.9Å; W406-V513 HydrophobicContact CE3-CG2 4.31Å; W406-V513 HydrophobicContact CG-CB 3.66Å; W406-V513 HydrophobicContact CG-CG1 4.23Å; W406-V513 HydrophobicContact CG-CG2 4.46Å; W406-V513 HydrophobicContact CZ2-CG2 4.35Å; L424-V513 PolarHBondContact O-N 3.27Å; V425-V513 HydrophobicContact CG1-CG1 3.92Å; H426-V513 PolarHBondContact N-O 3.49Å; H426-V513 VanDerWaalsContact N-O 3.09Å; V513-V585 HydrophobicContact CG2-CG1 4.07Å; V513-V585 HydrophobicContact CG2-CG2 4.29Å; V513-A592 HydrophobicContact CG2-CB 4.26Å; V513-A592 WeakPolarHBondContact CG2-O 3.47Å; V513-Q594 HydrophobicContact CG1-CB 3.83Å; V513-Q594 HydrophobicContact CG2-CB 4.3Å
514	C	97.8	Very high	92.8	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	148.5	170.4	-57.7	0	0	0	0	110.3	C381 A592 Y593 Q594	C381-C514 HydrophobicContact CB-CB 4.09Å; C381-C514 WeakPolarHBondContact CB-SG 3.43Å; C381-C514 PolarHBondContact O-SG 2.63Å; C381-C514 WeakPolarHBondContact SG-CA 3.34Å; C381-C514 WeakPolarHBondContact SG-CB 3.36Å; C381-C514 CovalentContact SG-SG 2.05Å; C381-C514 PolarHBondContact SG-SG 2.96Å; C514-A592 PolarHBondContact N-O 3.46Å; C514-Y593 HydrophobicContact CB-CD1 3.64Å; C514-Y593 HydrophobicContact CB-CE1 3.99Å; C514-Y593 HydrophobicContact CB-CG 4.41Å; C514-Y593 CarbonylContact O-C 3.37Å; C514-Y593 WeakPolarHBondContact O-CA 3.24Å; C514-Q594 PolarHBondContact O-N 3.03Å
515	L	97.5	Very high	91.6	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.6	165.2	-64.3	-178.5	0	0	0	109.1	V425 L441 I620 V623 F627	V425-L515 HydrophobicContact CB-CD2 4.09Å; V425-L515 HydrophobicContact CG1-CD2 3.93Å; L441-L515 HydrophobicContact CD1-CD2 3.79Å; L515-I620 HydrophobicContact CB-CD1 3.91Å; L515-I620 HydrophobicContact CD2-CD1 3.91Å; L515-I620 HydrophobicContact CG-CD1 4.41Å; L515-V623 HydrophobicContact CD1-CG1 4Å; L515-F627 HydrophobicContact CD1-CD2 3.91Å; L515-F627 HydrophobicContact CD1-CE2 3.71Å
516	A	96.2	Very high	91	Very high	1 Å²	1	51 Å²	51	1%	0.008	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.4	156.2	169.8	0	0	0	0	0	110.6	Q594 Y595 I620 H624	A516-Q594 VanDerWaalsContact CB-O 3.29Å; A516-Q594 WeakPolarHBondContact CB-O 3.48Å; A516-Q594 PolarHBondContact N-O 3.29Å; A516-Y595 HydrophobicContact CB-CD1 3.46Å; A516-Y595 VanDerWaalsContact CB-CD1 3.46Å; A516-Y595 HydrophobicContact CB-CD2 3.88Å; A516-Y595 HydrophobicContact CB-CE1 3.52Å; A516-Y595 HydrophobicContact CB-CE2 3.94Å; A516-Y595 HydrophobicContact CB-CG 3.65Å; A516-I620 HydrophobicContact CB-CD1 4.39Å; A516-H624 PolarHBondContact O-CE1 2.93Å; A516-H624 PolarHBondContact O-NE2 3.39Å
517	Q	93	Very high	90.6	Very high	160 Å²	160	48.3 Å²	48.3	75%	0.748	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-55.7	150.3	177.6	-66	-178.4	5.4	0	0	111.1	E519 S520	Q517-E519 PolarHBondContact O-N 3.46Å; Q517-S520 PolarHBondContact N-OG 2.81Å; Q517-S520 WeakPolarHBondContact O-CB 3.26Å; Q517-S520 PolarHBondContact O-N 3.04Å; Q517-S520 PolarHBondContact O-OG 2.91Å
518	R	89.7	Confident	90.5	Very high	100 Å²	100	40.4 Å²	40.4	38%	0.377	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	134.5	179.7	179.5	178.2	176.4	113.5	9.9	110.5	S520 T621 E625	R518-S520 PolarHBondContact O-N 2.8Å; R518-T621 HydrophobicContact CG-CG2 4.44Å; R518-E625 IonicContact CZ-OE1 3.64Å; R518-E625 VanDerWaalsContact NH1-CG 3.34Å; R518-E625 IonicContact NH1-OE1 3.6Å; R518-E625 IonicContact NH2-OE1 2.84Å; R518-E625 PolarHBondContact NH2-OE1 2.93Å
519	E	86.3	Confident	90.2	Very high	84 Å²	84	39.5 Å²	39.5	39%	0.393	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	7.2	176.2	-66.6	163.8	-150.8	0	0	115.5	Q517 R552 T621	Q517-E519 PolarHBondContact O-N 3.46Å; E519-R552 PolarHBondContact O-NH2 3.13Å; E519-T621 HydrophobicContact CG-CG2 3.9Å
520	S	91.1	Very high	90.2	Very high	31 Å²	31	35.1 Å²	35.1	22%	0.217	18%	0.181	C	C	.	.			trans	-76.8	144	177	70.9	0	0	0	0	111.6	Q517 R518 Y595	Q517-S520 PolarHBondContact N-OG 2.81Å; Q517-S520 WeakPolarHBondContact O-CB 3.26Å; Q517-S520 PolarHBondContact O-N 3.04Å; Q517-S520 PolarHBondContact O-OG 2.91Å; R518-S520 PolarHBondContact O-N 2.8Å; S520-Y595 WeakPolarHBondContact OG-CE1 3.22Å
521	V	91.5	Very high	90	Very high	53 Å²	53	35 Å²	35	32%	0.321	18%	0.18	S	C	.	.			trans	-105.1	155.6	168	-64.7	0	0	0	0	109.2	A551 R552 I567 Y595	V521-A551 HydrophobicContact CB-CB 3.72Å; V521-A551 HydrophobicContact CG1-CB 3.94Å; V521-A551 HydrophobicContact CG2-CB 3.95Å; V521-R552 HydrophobicContact CG1-CG 4.07Å; V521-I567 HydrophobicContact CG1-CG1 4.37Å; V521-Y595 WeakPolarHBondContact O-CE1 3.38Å
522	P	90.9	Very high	89.9	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.039	18%	0.181	C	C	.	.			trans	-57.5	133.1	177.7	-21.8	29.9	0	0	0	111	C528 I547 M584 C586 Y595	P522-C528 VanDerWaalsContact CB-SG 3.56Å; P522-I547 HydrophobicContact CB-CG1 3.95Å; P522-I547 HydrophobicContact CG-CD1 4.03Å; P522-I547 HydrophobicContact CG-CG1 3.97Å; P522-M584 HydrophobicContact CG-CE 3.86Å; P522-C586 HydrophobicContact CB-CB 4.44Å; P522-C586 VanDerWaalsContact CB-SG 3.6Å; P522-Y595 HydrophobicContact CB-CD1 4.41Å; P522-Y595 HydrophobicContact CB-CD2 4.37Å; P522-Y595 HydrophobicContact CB-CE1 4.43Å; P522-Y595 HydrophobicContact CB-CE2 4.39Å; P522-Y595 HydrophobicContact CB-CG 4.37Å; P522-Y595 HydrophobicContact CG-CD1 3.78Å; P522-Y595 HydrophobicContact CG-CD2 3.98Å; P522-Y595 HydrophobicContact CG-CE1 4.28Å; P522-Y595 HydrophobicContact CG-CE2 4.46Å; P522-Y595 HydrophobicContact CG-CG 3.61Å
523	P	85.1	Confident	89.7	Confident	29 Å²	29	35.3 Å²	35.3	19%	0.188	18%	0.181	C	C	.	.			trans	-69	151.2	177.5	24	-27.3	0	0	0	110.4	Y525 A526 V588 Y595	P523-Y525 HydrophobicContact CB-CD1 3.94Å; P523-Y525 HydrophobicContact CB-CE1 3.47Å; P523-Y525 VanDerWaalsContact CB-CE1 3.47Å; P523-Y525 HydrophobicContact CB-CE2 4.43Å; P523-Y525 HydrophobicContact CG-CE1 3.94Å; P523-Y525 HydrophobicContact CG-CE2 4.03Å; P523-Y525 PolarHBondContact O-N 2.92Å; P523-A526 HydrophobicContact CG-CB 3.98Å; P523-A526 VanDerWaalsContact O-CB 3.29Å; P523-A526 WeakPolarHBondContact O-CB 3.46Å; P523-A526 PolarHBondContact O-N 3.28Å; P523-V588 HydrophobicContact CG-CG2 4.1Å; P523-Y595 WeakPolarHBondContact CD-OH 3.27Å
524	P	73.3	Confident	89.4	Confident	110 Å²	110	35.6 Å²	35.6	71%	0.714	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.6	-173.3	-26.8	34.2	0	0	0	115	K205	K205-P524 VanDerWaalsContact O-O 3.11Å
525	Y	72.5	Confident	89	Confident	97 Å²	97	41.6 Å²	41.6	38%	0.38	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.5	179	63.4	-98.5	0	0	0	113.4	G207 P523 V588 H589	G207-Y525 WeakPolarHBondContact CA-O 3.38Å; G207-Y525 PolarHBondContact N-O 3.09Å; P523-Y525 HydrophobicContact CB-CD1 3.94Å; P523-Y525 HydrophobicContact CB-CE1 3.47Å; P523-Y525 VanDerWaalsContact CB-CE1 3.47Å; P523-Y525 HydrophobicContact CB-CE2 4.43Å; P523-Y525 HydrophobicContact CG-CE1 3.94Å; P523-Y525 HydrophobicContact CG-CE2 4.03Å; P523-Y525 PolarHBondContact O-N 2.92Å; Y525-V588 HydrophobicContact CE2-CG1 4.2Å; Y525-H589 AromaticContact CE2-NE2 3.99Å; Y525-H589 PolarHBondContact OH-CE1 2.87Å
526	A	83.9	Confident	88.6	Confident	12 Å²	12	47 Å²	47	10%	0.099	23%	0.229	C	C	.	.	S	Bend	trans	-69.7	145.2	-178.7	0	0	0	0	0	111.1	P523 C586 V588	P523-A526 HydrophobicContact CG-CB 3.98Å; P523-A526 VanDerWaalsContact O-CB 3.29Å; P523-A526 WeakPolarHBondContact O-CB 3.46Å; P523-A526 PolarHBondContact O-N 3.28Å; A526-C586 HydrophobicContact CB-CB 4.02Å; A526-V588 HydrophobicContact CB-CG2 3.92Å
527	S	84	Confident	88.2	Confident	12 Å²	12	50.8 Å²	50.8	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.4	167.5	-58.3	0	0	0	0	108.5	G207 H208 Y529 C586 I587	G207-S527 VanDerWaalsContact CA-OG 3.28Å; G207-S527 WeakPolarHBondContact CA-OG 3.44Å; H208-S527 PolarHBondContact CD2-OG 3.15Å; H208-S527 PolarHBondContact N-OG 3.44Å; S527-Y529 VanDerWaalsContact O-CE2 3.28Å; S527-Y529 WeakPolarHBondContact O-CE2 3.36Å; S527-C586 CarbonylContact O-C 3.51Å; S527-C586 VanDerWaalsContact O-CA 3.3Å; S527-C586 WeakPolarHBondContact O-CA 3.33Å; S527-I587 PolarHBondContact O-N 2.05Å
528	C	90.2	Very high	88.1	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	143	-179.6	-63.7	0	0	0	0	111.2	P522 I544 V545 I547 V585 C586	P522-C528 VanDerWaalsContact CB-SG 3.56Å; C528-I544 WeakPolarHBondContact O-CA 3.35Å; C528-I544 WeakPolarHBondContact O-CG1 3.1Å; C528-V545 HydrophobicContact CB-CG2 3.9Å; C528-V545 PolarHBondContact O-N 3.11Å; C528-I547 HydrophobicContact CB-CD1 4.26Å; C528-I547 HydrophobicContact CB-CG1 4.45Å; C528-V585 CarbonylContact C-O 3.48Å; C528-V585 WeakPolarHBondContact CA-O 3.45Å; C528-C586 HydrophobicContact CB-CB 4.09Å; C528-C586 WeakPolarHBondContact CB-SG 3.34Å; C528-C586 WeakPolarHBondContact SG-CB 3.42Å; C528-C586 CovalentContact SG-SG 2.04Å; C528-C586 PolarHBondContact SG-SG 2.79Å
529	Y	90.6	Very high	88.1	Confident	6 Å²	6	44.1 Å²	44.1	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.7	-178.9	-51.2	-95.5	0	0	0	110.1	H208 V395 F404 S527 E543 I544 V585 I587	H208-Y529 AromaticContact CE1-CE1 3.97Å; H208-Y529 AromaticContact CE1-CZ 3.82Å; H208-Y529 PolarHBondContact CE1-OH 3.01Å; H208-Y529 AromaticContact NE2-CE1 3.38Å; H208-Y529 WeakPolarHBondContact NE2-CE1 3.24Å; H208-Y529 AromaticContact NE2-CZ 3.24Å; H208-Y529 PolarHBondContact NE2-OH 3.34Å; V395-Y529 HydrophobicContact CB-CD1 4.25Å; V395-Y529 HydrophobicContact CB-CE1 3.62Å; V395-Y529 HydrophobicContact CG1-CD1 3.7Å; V395-Y529 HydrophobicContact CG1-CE1 3.52Å; V395-Y529 HydrophobicContact CG1-CG 4.26Å; V395-Y529 HydrophobicContact CG2-CE1 3.87Å; V395-Y529 WeakPolarHBondContact CG2-OH 3.48Å; F404-Y529 HydrophobicContact CE2-CD2 4.34Å; F404-Y529 HydrophobicContact CE2-CG 4.21Å; F404-Y529 HydrophobicContact CZ-CD2 4.14Å; F404-Y529 HydrophobicContact CZ-CG 4.32Å; S527-Y529 VanDerWaalsContact O-CE2 3.28Å; S527-Y529 WeakPolarHBondContact O-CE2 3.36Å; Y529-E543 CarbonylContact C-O 3.46Å; Y529-E543 WeakPolarHBondContact CA-O 3.23Å; Y529-I544 HydrophobicContact CD1-CB 4.23Å; Y529-I544 HydrophobicContact CE1-CB 4.34Å; Y529-V585 PolarHBondContact N-O 3.04Å; Y529-V585 PolarHBondContact O-N 3.5Å; Y529-I587 HydrophobicContact CE2-CD1 3.63Å; Y529-I587 HydrophobicContact CE2-CG1 3.99Å
530	V	92.7	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.4	167.7	69.8	0	0	0	0	110.3	E543 V545 Q579 Y617	V530-E543 HydrophobicContact CG1-CB 4.28Å; V530-E543 PolarHBondContact N-O 2.02Å; V530-E543 PolarHBondContact O-N 3.35Å; V530-V545 HydrophobicContact CB-CG1 4Å; V530-V545 HydrophobicContact CG1-CG1 3.44Å; V530-V545 VanDerWaalsContact CG1-CG1 3.44Å; V530-Q579 HydrophobicContact CG2-CG 3.88Å; V530-Q579 VanDerWaalsContact CG2-NE2 3.31Å; V530-Y617 HydrophobicContact CB-CE1 4.45Å; V530-Y617 VanDerWaalsContact CB-OH 3.29Å; V530-Y617 WeakPolarHBondContact CB-OH 3.34Å; V530-Y617 HydrophobicContact CG2-CE1 3.92Å; V530-Y617 VanDerWaalsContact CG2-OH 3.28Å; V530-Y617 WeakPolarHBondContact CG2-OH 3.48Å
531	T	92.8	Very high	88	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	142.5	175	-56.1	0	0	0	0	110.2	N407 I421 I540 S582	N407-T531 HydrophobicContact CB-CG2 4.28Å; N407-T531 VanDerWaalsContact ND2-CG2 3.32Å; N407-T531 WeakPolarHBondContact ND2-CG2 3.26Å; N407-T531 PolarHBondContact ND2-OG1 3.09Å; N407-T531 PolarHBondContact OD1-OG1 2.86Å; N407-T531 VanDerWaalsContact OD1-OG1 3.11Å; I421-T531 HydrophobicContact CG2-CG2 3.94Å; T531-I540 HydrophobicContact CG2-CG2 3.37Å; T531-S582 WeakPolarHBondContact O-CB 3.44Å; T531-S582 PolarHBondContact O-OG 3.42Å
532	H	92.6	Very high	87.8	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.2	172.3	63.5	-64.5	0	0	0	110.7	I540 D541 Y577 I578 Q579	H532-I540 VanDerWaalsContact O-CA 3.3Å; H532-I540 WeakPolarHBondContact O-CA 3.12Å; H532-D541 PolarHBondContact CE1-O 3.29Å; H532-D541 PolarHBondContact N-O 2.89Å; H532-D541 PolarHBondContact ND1-O 2.74Å; H532-D541 PolarHBondContact O-N 3.44Å; H532-Y577 HydrophobicContact CB-CD2 4.47Å; H532-Y577 AromaticContact CD2-CD1 3.53Å; H532-Y577 AromaticContact CD2-CD2 3.15Å; H532-Y577 WeakPolarHBondContact CD2-CD2 3.3Å; H532-Y577 AromaticContact CD2-CE1 3.55Å; H532-Y577 AromaticContact CD2-CE2 3.21Å; H532-Y577 WeakPolarHBondContact CD2-CE2 3.41Å; H532-Y577 AromaticContact CD2-CG 3.33Å; H532-Y577 AromaticContact CD2-CZ 3.41Å; H532-Y577 VanDerWaalsContact CD2-CZ 3.41Å; H532-Y577 AromaticContact CG-CD2 3.93Å; H532-Y577 AromaticContact NE2-CD2 3.67Å; H532-Y577 AromaticContact NE2-CE1 3.66Å; H532-Y577 AromaticContact NE2-CE2 3.17Å; H532-Y577 WeakPolarHBondContact NE2-CE2 3.41Å; H532-Y577 AromaticContact NE2-CZ 3.15Å; H532-I578 WeakPolarHBondContact CA-O 3.37Å; H532-Q579 HydrophobicContact CB-CB 4.41Å; H532-Q579 HydrophobicContact CB-CG 4.42Å
533	Y	93.8	Very high	87.3	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.7	172	170.8	-94.4	0	0	0	110.6	I409 T418 F464 R535 H538 R539 I540 Y577 I578	I409-Y533 HydrophobicContact CD1-CD2 4.31Å; T418-Y533 HydrophobicContact CG2-CD1 3.87Å; T418-Y533 HydrophobicContact CG2-CE1 4.32Å; T418-Y533 HydrophobicContact CG2-CG 4.07Å; F464-Y533 HydrophobicContact CB-CE2 4.12Å; F464-Y533 HydrophobicContact CD1-CE2 4.3Å; F464-Y533 WeakPolarHBondContact O-CE2 3.47Å; F464-Y533 PolarHBondContact O-OH 3.08Å; Y533-R535 HydrophobicContact CD1-CG 4.24Å; Y533-R535 HydrophobicContact CE1-CG 4.05Å; Y533-H538 PolarHBondContact OH-ND1 3.36Å; Y533-H538 VanDerWaalsContact OH-ND1 3.11Å; Y533-R539 WeakPolarHBondContact CA-O 3.22Å; Y533-R539 WeakPolarHBondContact CD2-O 3.31Å; Y533-I540 HydrophobicContact CD2-CG1 4.42Å; Y533-Y577 WeakPolarHBondContact O-CA 3.05Å; Y533-I578 HydrophobicContact CD1-CB 4.36Å; Y533-I578 HydrophobicContact CD1-CD1 3.87Å; Y533-I578 HydrophobicContact CD1-CG1 4.23Å; Y533-I578 HydrophobicContact CE1-CD1 4.39Å; Y533-I578 PolarHBondContact N-O 2.5Å; Y533-I578 PolarHBondContact O-N 3.38Å
534	D	91.2	Very high	87.1	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.8	172.9	-168.2	-30.6	0	0	0	110.4	H536 E537 H538 R539 H576 Y577	D534-H536 WeakPolarHBondContact OD1-CA 3.22Å; D534-H536 WeakPolarHBondContact OD1-CB 3.4Å; D534-H536 PolarHBondContact OD1-N 3.39Å; D534-E537 HydrophobicContact CB-CB 4.14Å; D534-E537 PolarHBondContact OD1-N 3.04Å; D534-E537 VanDerWaalsContact OD1-N 3.15Å; D534-H538 VanDerWaalsContact O-CA 3.28Å; D534-H538 WeakPolarHBondContact O-CA 3.37Å; D534-H538 PolarHBondContact O-N 3.24Å; D534-R539 PolarHBondContact N-O 3.31Å; D534-R539 PolarHBondContact O-N 3.2Å; D534-H576 IonicContact OD1-CD2 2.66Å; D534-H576 PolarHBondContact OD1-CD2 2.66Å; D534-H576 IonicContact OD2-CD2 3.06Å; D534-H576 IonicContact OD2-NE2 3.9Å; D534-Y577 HydrophobicContact CB-CD1 4.27Å; D534-Y577 HydrophobicContact CB-CE1 3.95Å; D534-Y577 WeakPolarHBondContact OD2-CE1 3.45Å
535	R	90.3	Very high	87.6	Confident	127 Å²	127	34.3 Å²	34.3	48%	0.479	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.1	177.3	-70.8	176.6	-171.3	-156.4	2.5	114.1	Y533 H538 H576 I578	Y533-R535 HydrophobicContact CD1-CG 4.24Å; Y533-R535 HydrophobicContact CE1-CG 4.05Å; R535-H538 PolarHBondContact O-CE1 2.87Å; R535-H538 PolarHBondContact O-ND1 2.93Å; R535-H576 WeakPolarHBondContact CB-O 3.41Å; R535-H576 WeakPolarHBondContact CD-O 3.48Å; R535-H576 WeakPolarHBondContact CG-O 3.2Å; R535-H576 PolarHBondContact N-O 3.37Å; R535-I578 HydrophobicContact CG-CD1 4.12Å; R535-I578 HydrophobicContact CG-CG1 4.17Å; R535-I578 VanDerWaalsContact NE-CG1 3.26Å
536	H	89.5	Confident	87.9	Confident	138 Å²	138	31 Å²	31	64%	0.639	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-46.4	179.2	-63.7	-51.5	0	0	0	110.6	D534 H576	D534-H536 WeakPolarHBondContact OD1-CA 3.22Å; D534-H536 WeakPolarHBondContact OD1-CB 3.4Å; D534-H536 PolarHBondContact OD1-N 3.39Å; H536-H576 WeakPolarHBondContact CD2-CB 3.12Å; H536-H576 AromaticContact CD2-CD2 3.56Å; H536-H576 AromaticContact CD2-CG 3.31Å; H536-H576 AromaticContact CD2-ND1 3.82Å; H536-H576 WeakPolarHBondContact NE2-CB 3.4Å; H536-H576 AromaticContact NE2-CG 3.59Å; H536-H576 AromaticContact NE2-ND1 3.93Å
537	E	87.3	Confident	88	Confident	81 Å²	81	31.9 Å²	31.9	38%	0.379	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.7	-177.4	-61.4	-177.9	160.8	0	0	113.1	D534 R539	D534-E537 HydrophobicContact CB-CB 4.14Å; D534-E537 PolarHBondContact OD1-N 3.04Å; D534-E537 VanDerWaalsContact OD1-N 3.15Å; E537-R539 HydrophobicContact CB-CG 3.9Å; E537-R539 PolarHBondContact O-N 3.08Å; E537-R539 IonicContact OE1-NH2 3.98Å; E537-R539 IonicContact OE2-CZ 3.75Å; E537-R539 IonicContact OE2-NE 2.67Å; E537-R539 PolarHBondContact OE2-NE 3.06Å; E537-R539 IonicContact OE2-NH2 3.72Å; E537-R539 PolarHBondContact OE2-NH2 3.24Å
538	H	90.6	Very high	87.7	Confident	82 Å²	82	32.4 Å²	32.4	38%	0.38	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.4	-179.5	-66.6	-43.7	0	0	0	113.4	F464 Y533 D534 R535	F464-H538 CarbonylContact C-O 3.47Å; F464-H538 PolarHBondContact N-O 2.98Å; F464-H538 CarbonylContact O-C 3.54Å; F464-H538 WeakPolarHBondContact O-CB 3.17Å; F464-H538 VanDerWaalsContact O-O 3.09Å; Y533-H538 PolarHBondContact OH-ND1 3.36Å; Y533-H538 VanDerWaalsContact OH-ND1 3.11Å; D534-H538 VanDerWaalsContact O-CA 3.28Å; D534-H538 WeakPolarHBondContact O-CA 3.37Å; D534-H538 PolarHBondContact O-N 3.24Å; R535-H538 PolarHBondContact O-CE1 2.87Å; R535-H538 PolarHBondContact O-ND1 2.93Å
539	R	89.5	Confident	86.8	Confident	38 Å²	38	38 Å²	38	14%	0.143	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.8	-179.5	66.5	172.8	172.4	158.7	-2.7	112.8	N399 P462 Y533 D534 E537	N399-R539 VanDerWaalsContact CG-NH1 3.32Å; N399-R539 PolarHBondContact OD1-NH1 3.46Å; N399-R539 VanDerWaalsContact OD1-NH1 3.13Å; N399-R539 PolarHBondContact OD1-NH2 2.85Å; P462-R539 CarbonylContact O-C 3.53Å; P462-R539 WeakPolarHBondContact O-CA 3.41Å; Y533-R539 WeakPolarHBondContact CA-O 3.22Å; Y533-R539 WeakPolarHBondContact CD2-O 3.31Å; D534-R539 PolarHBondContact N-O 3.31Å; D534-R539 PolarHBondContact O-N 3.2Å; E537-R539 HydrophobicContact CB-CG 3.9Å; E537-R539 PolarHBondContact O-N 3.08Å; E537-R539 IonicContact OE1-NH2 3.98Å; E537-R539 IonicContact OE2-CZ 3.75Å; E537-R539 IonicContact OE2-NE 2.67Å; E537-R539 PolarHBondContact OE2-NE 3.06Å; E537-R539 IonicContact OE2-NH2 3.72Å; E537-R539 PolarHBondContact OE2-NH2 3.24Å
540	I	89.7	Confident	86.1	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	141.9	160.8	-73.4	172.7	0	0	0	108.3	M403 N407 I409 P462 T531 H532 Y533	M403-I540 HydrophobicContact CB-CB 4.17Å; M403-I540 HydrophobicContact CB-CG2 3.65Å; M403-I540 HydrophobicContact SD-CB 4.09Å; M403-I540 HydrophobicContact SD-CD1 3.43Å; M403-I540 WeakPolarHBondContact SD-CD1 3.32Å; M403-I540 HydrophobicContact SD-CG1 4.33Å; M403-I540 HydrophobicContact SD-CG2 4.19Å; N407-I540 HydrophobicContact CB-CD1 4.35Å; I409-I540 HydrophobicContact CD1-CD1 3.56Å; I409-I540 HydrophobicContact CD1-CG1 3.97Å; I409-I540 HydrophobicContact CG1-CD1 3.42Å; I409-I540 VanDerWaalsContact CG1-CD1 3.42Å; I409-I540 HydrophobicContact CG1-CG1 4.19Å; P462-I540 PolarHBondContact O-N 3.38Å; T531-I540 HydrophobicContact CG2-CG2 3.37Å; H532-I540 VanDerWaalsContact O-CA 3.3Å; H532-I540 WeakPolarHBondContact O-CA 3.12Å; Y533-I540 HydrophobicContact CD2-CG1 4.42Å
541	D	85.8	Confident	85.7	Confident	12 Å²	12	44 Å²	44	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.9	169.7	-166.7	15.8	0	0	0	109.9	H532	H532-D541 PolarHBondContact CE1-O 3.29Å; H532-D541 PolarHBondContact N-O 2.89Å; H532-D541 PolarHBondContact ND1-O 2.74Å; H532-D541 PolarHBondContact O-N 3.44Å
542	E	86.6	Confident	85.4	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	-177.3	-83	68.9	-159.3	0	0	109.6	V395 F404 N407	V395-E542 HydrophobicContact CG1-CB 4.07Å; V395-E542 HydrophobicContact CG1-CG 4.4Å; F404-E542 HydrophobicContact CD2-CG 3.33Å; F404-E542 WeakPolarHBondContact CD2-OE1 3.28Å; F404-E542 HydrophobicContact CE2-CB 4.34Å; F404-E542 HydrophobicContact CE2-CG 3.37Å; F404-E542 HydrophobicContact CG-CG 4.22Å; F404-E542 HydrophobicContact CZ-CG 4.26Å; F404-E542 PolarHBondContact N-OE1 3.18Å; N407-E542 PolarHBondContact ND2-OE1 2.87Å
543	E	81.9	Confident	84.8	Confident	23 Å²	23	49 Å²	49	11%	0.107	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.6	175.8	-171.4	170.1	-173.5	0	0	109.5	Y529 V530	Y529-E543 CarbonylContact C-O 3.46Å; Y529-E543 WeakPolarHBondContact CA-O 3.23Å; V530-E543 HydrophobicContact CG1-CB 4.28Å; V530-E543 PolarHBondContact N-O 2.02Å; V530-E543 PolarHBondContact O-N 3.35Å
544	I	79.8	Confident	83.5	Confident	54 Å²	54	52.3 Å²	52.3	28%	0.277	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.7	171.8	-171.5	-179	0	0	0	109.6	H208 C528 Y529 M546	H208-I544 WeakPolarHBondContact CD2-CD1 3.48Å; C528-I544 WeakPolarHBondContact O-CA 3.35Å; C528-I544 WeakPolarHBondContact O-CG1 3.1Å; Y529-I544 HydrophobicContact CD1-CB 4.23Å; Y529-I544 HydrophobicContact CE1-CB 4.34Å; I544-M546 HydrophobicContact CD1-SD 4.05Å; I544-M546 HydrophobicContact CG1-SD 4.21Å
545	V	83.8	Confident	82.1	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.6	176	-62.5	0	0	0	0	110.9	C528 V530 A569 E571 M584	C528-V545 HydrophobicContact CB-CG2 3.9Å; C528-V545 PolarHBondContact O-N 3.11Å; V530-V545 HydrophobicContact CB-CG1 4Å; V530-V545 HydrophobicContact CG1-CG1 3.44Å; V530-V545 VanDerWaalsContact CG1-CG1 3.44Å; V545-A569 HydrophobicContact CB-CB 3.91Å; V545-A569 HydrophobicContact CG2-CB 4.15Å; V545-E571 HydrophobicContact CG1-CB 4.18Å; V545-M584 HydrophobicContact CG2-CG 4.5Å
546	M	80.2	Confident	80.2	Confident	27 Å²	27	51.8 Å²	51.8	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.3	-178.6	-52.9	-49	-63	0	0	109.7	P200 F206 I544 A569 V570	P200-M546 HydrophobicContact CG-CB 3.94Å; F206-M546 HydrophobicContact CB-CE 4.19Å; F206-M546 HydrophobicContact CD1-CE 2.94Å; F206-M546 HydrophobicContact CD2-CE 4.17Å; F206-M546 HydrophobicContact CE1-CE 3.14Å; F206-M546 HydrophobicContact CE2-CE 4.32Å; F206-M546 HydrophobicContact CG-CE 3.49Å; F206-M546 VanDerWaalsContact CG-CE 3.49Å; F206-M546 HydrophobicContact CZ-CE 3.85Å; I544-M546 HydrophobicContact CD1-SD 4.05Å; I544-M546 HydrophobicContact CG1-SD 4.21Å; M546-A569 CarbonylContact O-C 3.57Å; M546-A569 VanDerWaalsContact O-CA 3.24Å; M546-A569 WeakPolarHBondContact O-CA 3.03Å; M546-V570 HydrophobicContact CB-CB 4.47Å; M546-V570 PolarHBondContact O-N 2.99Å
547	I	84.8	Confident	78.1	Confident	31 Å²	31	55.1 Å²	55.1	16%	0.159	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.7	179.5	-52.6	-54.8	0	0	0	109.9	P200 P522 C528 A551 I567 A569 M584	P200-I547 WeakPolarHBondContact CB-O 3.25Å; P200-I547 WeakPolarHBondContact CG-O 3.48Å; P522-I547 HydrophobicContact CB-CG1 3.95Å; P522-I547 HydrophobicContact CG-CD1 4.03Å; P522-I547 HydrophobicContact CG-CG1 3.97Å; C528-I547 HydrophobicContact CB-CD1 4.26Å; C528-I547 HydrophobicContact CB-CG1 4.45Å; I547-A551 HydrophobicContact CG2-CB 3.52Å; I547-I567 HydrophobicContact CD1-CG2 4.33Å; I547-I567 HydrophobicContact CG2-CG2 4.2Å; I547-A569 HydrophobicContact CD1-CB 4.07Å; I547-M584 HydrophobicContact CD1-CE 4.35Å; I547-M584 HydrophobicContact CD1-SD 3.5Å; I547-M584 WeakPolarHBondContact CD1-SD 3.43Å
548	T	78.2	Confident	76.2	Confident	24 Å²	24	53.7 Å²	53.7	15%	0.147	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	153.6	178.4	46.9	0	0	0	0	112.1	N550 A551 C568 V570 L614	T548-N550 VanDerWaalsContact C-N 3.26Å; T548-N550 WeakPolarHBondContact CB-O 3.24Å; T548-N550 CarbonylContact O-C 3.53Å; T548-N550 VanDerWaalsContact O-C 3.27Å; T548-N550 PolarHBondContact O-N 2.88Å; T548-N550 PolarHBondContact OG1-O 2.87Å; T548-A551 WeakPolarHBondContact O-CA 3.18Å; T548-A551 PolarHBondContact O-N 2.65Å; T548-C568 HydrophobicContact CG2-CB 3.92Å; T548-C568 PolarHBondContact N-O 3.12Å; T548-C568 VanDerWaalsContact OG1-CB 3.28Å; T548-C568 WeakPolarHBondContact OG1-CB 3.46Å; T548-C568 PolarHBondContact OG1-O 3.05Å; T548-C568 VanDerWaalsContact OG1-O 3.1Å; T548-V570 HydrophobicContact CG2-CG2 4.03Å; T548-L614 HydrophobicContact CG2-CD1 4.33Å; T548-L614 HydrophobicContact CG2-CD2 3.9Å
549	R	70.5	Confident	74.2	Confident	121 Å²	121	55.4 Å²	55.4	46%	0.457	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	-49.2	-179.4	177.9	-179	-90	-176.3	3.2	110.8	V174 D177 G201 A551	V174-R549 VanDerWaalsContact CG1-NH2 3.31Å; D177-R549 IonicContact OD1-NE 2.68Å; D177-R549 WeakPolarHBondContact OD2-CD 3.35Å; G201-R549 PolarHBondContact O-NH2 3.41Å; R549-A551 PolarHBondContact O-N 2.87Å
550	N	77.6	Confident	72.1	Confident	119 Å²	119	61 Å²	61	64%	0.636	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.1	160.9	-68.3	-16.5	0	0	0	107.8	T548 R552	T548-N550 VanDerWaalsContact C-N 3.26Å; T548-N550 WeakPolarHBondContact CB-O 3.24Å; T548-N550 CarbonylContact O-C 3.53Å; T548-N550 VanDerWaalsContact O-C 3.27Å; T548-N550 PolarHBondContact O-N 2.88Å; T548-N550 PolarHBondContact OG1-O 2.87Å; N550-R552 PolarHBondContact O-N 3.39Å
551	A	83.7	Confident	70.3	Confident	14 Å²	14	62.5 Å²	62.5	12%	0.116	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-37.3	-176.5	0	0	0	0	0	112.1	V521 I547 T548 R549 C553 I567 C568	V521-A551 HydrophobicContact CB-CB 3.72Å; V521-A551 HydrophobicContact CG1-CB 3.94Å; V521-A551 HydrophobicContact CG2-CB 3.95Å; I547-A551 HydrophobicContact CG2-CB 3.52Å; T548-A551 WeakPolarHBondContact O-CA 3.18Å; T548-A551 PolarHBondContact O-N 2.65Å; R549-A551 PolarHBondContact O-N 2.87Å; A551-C553 PolarHBondContact O-N 2.96Å; A551-I567 CarbonylContact O-C 3.59Å; A551-I567 VanDerWaalsContact O-CA 3.26Å; A551-I567 WeakPolarHBondContact O-CA 3.29Å; A551-I567 WeakPolarHBondContact O-CG2 2.98Å; A551-C568 PolarHBondContact O-N 2.82Å
552	R	87.2	Confident	68.5	Low	103 Å²	103	64.2 Å²	64.2	39%	0.389	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.2	176.8	-69.1	-175	175.3	146.1	5.9	111.2	E519 V521 N550 A555 G566 E619	E519-R552 PolarHBondContact O-NH2 3.13Å; V521-R552 HydrophobicContact CG1-CG 4.07Å; N550-R552 PolarHBondContact O-N 3.39Å; R552-A555 HydrophobicContact CB-CB 4.47Å; R552-G566 CarbonylContact C-O 3.42Å; R552-G566 VanDerWaalsContact CA-O 3.3Å; R552-G566 WeakPolarHBondContact CA-O 3.42Å; R552-E619 IonicContact NE-OE1 3.14Å; R552-E619 PolarHBondContact NE-OE1 3.42Å; R552-E619 VanDerWaalsContact NE-OE1 3.14Å
553	C	78.7	Confident	67.1	Low	4 Å²	4	69.9 Å²	69.9	3%	0.027	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	144.1	174.2	-62.5	0	0	0	0	111.3	A551 A555 G566 I567 C568 F616	A551-C553 PolarHBondContact O-N 2.96Å; C553-A555 PolarHBondContact O-N 2.87Å; C553-G566 PolarHBondContact N-O 3.47Å; C553-I567 PolarHBondContact SG-O 3.1Å; C553-I567 VanDerWaalsContact SG-O 3.41Å; C553-C568 VanDerWaalsContact CA-SG 3.57Å; C553-C568 HydrophobicContact CB-CB 4.13Å; C553-C568 WeakPolarHBondContact CB-SG 3.49Å; C553-C568 WeakPolarHBondContact SG-CA 3.26Å; C553-C568 WeakPolarHBondContact SG-CB 3.44Å; C553-C568 PolarHBondContact SG-N 3.3Å; C553-C568 CovalentContact SG-SG 2.01Å; C553-C568 PolarHBondContact SG-SG 2.85Å; C553-F616 HydrophobicContact CB-CD2 3.88Å; C553-F616 HydrophobicContact CB-CE2 3.85Å; C553-F616 WeakPolarHBondContact SG-CD2 3.23Å
554	L	67.7	Low	66.1	Low	78 Å²	78	69.7 Å²	69.7	41%	0.408	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	25.7	165.2	-53.5	172.7	0	0	0	113.2	W486 A556 F564	W486-L554 HydrophobicContact CH2-CD1 3.99Å; W486-L554 HydrophobicContact CZ2-CD1 4.28Å; L554-A556 VanDerWaalsContact C-N 3.26Å; L554-A556 PolarHBondContact O-N 2.98Å; L554-F564 HydrophobicContact CB-CB 4.42Å; L554-F564 HydrophobicContact CB-CD2 3.98Å; L554-F564 HydrophobicContact CB-CG 4.26Å
555	A	60.6	Low	66.1	Low	68 Å²	68	71.4 Å²	71.4	56%	0.562	40%	0.395	S	S	*	.			trans	-61.7	98.8	169.4	0	0	0	0	0	105.4	R552 C553 Q557	R552-A555 HydrophobicContact CB-CB 4.47Å; C553-A555 PolarHBondContact O-N 2.87Å; A555-Q557 PolarHBondContact O-N 3.06Å
556	A	49.7	Very low	66.4	Low	54 Å²	54	71.3 Å²	71.3	45%	0.446	39%	0.394	S	S	.	.			trans	-61.7	136	-179	0	0	0	0	0	108.1	L554 G558 A561	L554-A556 VanDerWaalsContact C-N 3.26Å; L554-A556 PolarHBondContact O-N 2.98Å; A556-G558 PolarHBondContact O-N 2.95Å; A556-A561 HydrophobicContact CB-CB 3.06Å
557	Q	45.5	Very low	66.9	Low	207 Å²	207	70 Å²	70	97%	0.967	39%	0.388	S	S	*	.	S	Bend	trans	-68.8	88.3	161.4	-73.3	174.1	-44.1	0	0	106.7	A555	A555-Q557 PolarHBondContact O-N 3.06Å
558	G	47.9	Very low	67.1	Low	51 Å²	51	68.8 Å²	68.8	53%	0.526	38%	0.382	S	S	.	.	S	Bend	trans	153.9	137.1	178.5	0	0	0	0	0	113.1	A556 N560	A556-G558 PolarHBondContact O-N 2.95Å; G558-N560 PolarHBondContact O-N 2.88Å
559	S	48.4	Very low	67.6	Low	119 Å²	119	67.6 Å²	67.6	83%	0.832	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	-174.1	47.5	0	0	0	0	115.4
560	N	46.6	Very low	68.2	Low	155 Å²	155	62.9 Å²	62.9	83%	0.829	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	2.5	-170.3	-74.2	-13.8	0	0	0	115.5	G558	G558-N560 PolarHBondContact O-N 2.88Å
561	A	50.6	Low	68.3	Low	37 Å²	37	57.6 Å²	57.6	31%	0.306	33%	0.331	S	S	.	.	S	Bend	trans	-75	140.9	172	0	0	0	0	0	110	A556 Q563	A556-A561 HydrophobicContact CB-CB 3.06Å; A561-Q563 PolarHBondContact O-N 3.18Å; A561-Q563 VanDerWaalsContact O-N 3.1Å
562	P	48.5	Very low	68	Low	48 Å²	48	60 Å²	60	31%	0.312	34%	0.339	S	S	.	.			trans	-52.6	125.1	173.3	14.4	-22.1	0	0	0	109.3	E487 F564	E487-P562 HydrophobicContact CG-CG 4.24Å; P562-F564 VanDerWaalsContact C-N 3.29Å; P562-F564 HydrophobicContact CG-CE2 4.17Å; P562-F564 HydrophobicContact CG-CZ 4.15Å; P562-F564 WeakPolarHBondContact O-CD2 3.28Å; P562-F564 WeakPolarHBondContact O-CE2 2.88Å; P562-F564 PolarHBondContact O-N 2.57Å
563	Q	56.9	Low	67.7	Low	128 Å²	128	58.6 Å²	58.6	60%	0.598	34%	0.336	S	S	*	.			trans	-66	87.4	-175.7	-162.8	-176.5	32.5	0	0	109.1	A561 R565	A561-Q563 PolarHBondContact O-N 3.18Å; A561-Q563 VanDerWaalsContact O-N 3.1Å; Q563-R565 HydrophobicContact CG-CG 4.49Å; Q563-R565 PolarHBondContact O-N 3.3Å; Q563-R565 VanDerWaalsContact O-N 3.12Å
564	F	62.3	Low	67.9	Low	19 Å²	19	60.4 Å²	60.4	8%	0.083	34%	0.344	C	S	.	.			trans	-64.4	112.6	173.7	-61.3	-85.2	0	0	0	108.5	W486 E487 L554 P562 G566	W486-F564 HydrophobicContact CB-CE1 4.3Å; W486-F564 HydrophobicContact CD2-CD1 4.03Å; W486-F564 AromaticContact CD2-CE1 3.51Å; W486-F564 HydrophobicContact CD2-CE1 3.51Å; W486-F564 AromaticContact CE2-CE1 3.83Å; W486-F564 AromaticContact CE3-CD1 3.67Å; W486-F564 HydrophobicContact CE3-CD1 3.67Å; W486-F564 AromaticContact CE3-CE1 3.67Å; W486-F564 HydrophobicContact CE3-CE1 3.67Å; W486-F564 AromaticContact CG-CE1 3.82Å; W486-F564 HydrophobicContact CG-CE1 3.82Å; W486-F564 HydrophobicContact CH2-CD1 4.45Å; W486-F564 HydrophobicContact CH2-CE1 4.43Å; W486-F564 HydrophobicContact CZ2-CE1 4.29Å; W486-F564 AromaticContact CZ3-CD1 3.91Å; W486-F564 HydrophobicContact CZ3-CD1 3.91Å; W486-F564 HydrophobicContact CZ3-CE1 4.14Å; E487-F564 HydrophobicContact CB-CE1 4.4Å; E487-F564 HydrophobicContact CB-CZ 3.74Å; E487-F564 HydrophobicContact CG-CZ 4.1Å; E487-F564 VanDerWaalsContact N-CE1 3.34Å; L554-F564 HydrophobicContact CB-CB 4.42Å; L554-F564 HydrophobicContact CB-CD2 3.98Å; L554-F564 HydrophobicContact CB-CG 4.26Å; P562-F564 VanDerWaalsContact C-N 3.29Å; P562-F564 HydrophobicContact CG-CE2 4.17Å; P562-F564 HydrophobicContact CG-CZ 4.15Å; P562-F564 WeakPolarHBondContact O-CD2 3.28Å; P562-F564 WeakPolarHBondContact O-CE2 2.88Å; P562-F564 PolarHBondContact O-N 2.57Å; F564-G566 PolarHBondContact O-N 3.08Å
565	R	79.1	Confident	68.7	Low	90 Å²	90	66.6 Å²	66.6	34%	0.34	37%	0.367	S	S	.	.			trans	-96.6	73.2	176.6	-63.8	-169.9	-174.3	-169.4	-1.1	110.3	Q563 E619	Q563-R565 HydrophobicContact CG-CG 4.49Å; Q563-R565 PolarHBondContact O-N 3.3Å; Q563-R565 VanDerWaalsContact O-N 3.12Å; R565-E619 HydrophobicContact CB-CB 4.29Å; R565-E619 HydrophobicContact CB-CG 4.33Å; R565-E619 PolarHBondContact O-N 2.91Å; R565-E619 VanDerWaalsContact O-N 3.08Å
566	G	89	Confident	70.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.5	175.4	0	0	0	0	0	112.3	R552 C553 F564 Y617	R552-G566 CarbonylContact C-O 3.42Å; R552-G566 VanDerWaalsContact CA-O 3.3Å; R552-G566 WeakPolarHBondContact CA-O 3.42Å; C553-G566 PolarHBondContact N-O 3.47Å; F564-G566 PolarHBondContact O-N 3.08Å; G566-Y617 CarbonylContact C-O 3.47Å; G566-Y617 WeakPolarHBondContact CA-O 3.36Å
567	I	91.9	Very high	72.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.9	178.7	-59.2	162.5	0	0	0	109	V521 I547 A551 C553 M584 Y617 E619	V521-I567 HydrophobicContact CG1-CG1 4.37Å; I547-I567 HydrophobicContact CD1-CG2 4.33Å; I547-I567 HydrophobicContact CG2-CG2 4.2Å; A551-I567 CarbonylContact O-C 3.59Å; A551-I567 VanDerWaalsContact O-CA 3.26Å; A551-I567 WeakPolarHBondContact O-CA 3.29Å; A551-I567 WeakPolarHBondContact O-CG2 2.98Å; C553-I567 PolarHBondContact SG-O 3.1Å; C553-I567 VanDerWaalsContact SG-O 3.41Å; I567-M584 HydrophobicContact CB-CE 3.88Å; I567-M584 HydrophobicContact CD1-CE 3.63Å; I567-M584 HydrophobicContact CG1-CE 4.37Å; I567-M584 HydrophobicContact CG2-CE 3.61Å; I567-M584 HydrophobicContact CG2-SD 4.22Å; I567-Y617 PolarHBondContact N-O 3.14Å; I567-Y617 PolarHBondContact O-N 2.78Å; I567-E619 HydrophobicContact CD1-CG 4.12Å; I567-E619 HydrophobicContact CG1-CG 3.96Å
568	C	88.9	Confident	74.5	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.5	-178.8	-91	0	0	0	0	110.3	T548 A551 C553 L614 G615	T548-C568 HydrophobicContact CG2-CB 3.92Å; T548-C568 PolarHBondContact N-O 3.12Å; T548-C568 VanDerWaalsContact OG1-CB 3.28Å; T548-C568 WeakPolarHBondContact OG1-CB 3.46Å; T548-C568 PolarHBondContact OG1-O 3.05Å; T548-C568 VanDerWaalsContact OG1-O 3.1Å; A551-C568 PolarHBondContact O-N 2.82Å; C553-C568 VanDerWaalsContact CA-SG 3.57Å; C553-C568 HydrophobicContact CB-CB 4.13Å; C553-C568 WeakPolarHBondContact CB-SG 3.49Å; C553-C568 WeakPolarHBondContact SG-CA 3.26Å; C553-C568 WeakPolarHBondContact SG-CB 3.44Å; C553-C568 PolarHBondContact SG-N 3.3Å; C553-C568 CovalentContact SG-SG 2.01Å; C553-C568 PolarHBondContact SG-SG 2.85Å; C568-L614 HydrophobicContact CB-CD1 4.18Å; C568-G615 WeakPolarHBondContact CA-O 3.37Å
569	A	88.5	Confident	76.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.6	170.4	0	0	0	0	0	110.3	V545 M546 I547 E571 L614 G615 Y617	V545-A569 HydrophobicContact CB-CB 3.91Å; V545-A569 HydrophobicContact CG2-CB 4.15Å; M546-A569 CarbonylContact O-C 3.57Å; M546-A569 VanDerWaalsContact O-CA 3.24Å; M546-A569 WeakPolarHBondContact O-CA 3.03Å; I547-A569 HydrophobicContact CD1-CB 4.07Å; A569-E571 PolarHBondContact O-N 3.18Å; A569-L614 CarbonylContact O-C 3.21Å; A569-L614 VanDerWaalsContact O-CA 3.25Å; A569-L614 WeakPolarHBondContact O-CA 3.37Å; A569-G615 PolarHBondContact N-O 2.9Å; A569-G615 VanDerWaalsContact N-O 3.15Å; A569-G615 PolarHBondContact O-N 3.44Å; A569-Y617 HydrophobicContact CB-CD2 4.49Å; A569-Y617 HydrophobicContact CB-CE2 3.91Å
570	V	82.4	Confident	79	Confident	22 Å²	22	48 Å²	48	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	108.7	173.7	-177.7	0	0	0	0	107.8	P200 M546 T548 Q612 L614	P200-V570 HydrophobicContact CG-CB 4.35Å; P200-V570 HydrophobicContact CG-CG2 3.44Å; P200-V570 VanDerWaalsContact CG-CG2 3.44Å; M546-V570 HydrophobicContact CB-CB 4.47Å; M546-V570 PolarHBondContact O-N 2.99Å; T548-V570 HydrophobicContact CG2-CG2 4.03Å; V570-Q612 VanDerWaalsContact CG2-NE2 3.33Å; V570-L614 HydrophobicContact CB-CD2 4.43Å; V570-L614 HydrophobicContact CG2-CD2 3.87Å
571	E	79.8	Confident	81.5	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.033	19%	0.193	C	C	.	.			trans	-156.2	149.4	179.8	58.9	162.1	132.8	0	0	112.1	V545 A569 Q579 Y598 Q601 K613 G615 Y617	V545-E571 HydrophobicContact CG1-CB 4.18Å; A569-E571 PolarHBondContact O-N 3.18Å; E571-Q579 PolarHBondContact OE1-NE2 3.4Å; E571-Q579 PolarHBondContact OE2-NE2 2.94Å; E571-Q579 PolarHBondContact OE2-OE1 3.22Å; E571-Y598 WeakPolarHBondContact OE1-CE2 3.49Å; E571-Q601 PolarHBondContact O-NE2 2.9Å; E571-K613 CarbonylContact O-C 3.55Å; E571-K613 WeakPolarHBondContact O-CB 3.22Å; E571-K613 VanDerWaalsContact O-O 3.14Å; E571-G615 VanDerWaalsContact CG-N 3.31Å; E571-G615 WeakPolarHBondContact OE1-CA 3.24Å; E571-Y617 WeakPolarHBondContact OE1-CE2 3.4Å; E571-Y617 PolarHBondContact OE1-OH 2.66Å
572	Q	78.1	Confident	83.7	Confident	64 Å²	64	38.8 Å²	38.8	30%	0.299	18%	0.179	S	C	.	.			trans	-117.6	93.6	176.6	-69.8	-169.5	52.8	0	0	110.5	K574 K613	Q572-K574 PolarHBondContact O-N 2.96Å; Q572-K613 HydrophobicContact CG-CB 4.1Å; Q572-K613 HydrophobicContact CG-CG 4.37Å
573	K	80.9	Confident	86.1	Confident	75 Å²	75	36.5 Å²	36.5	33%	0.326	16%	0.164	S	C	.	.			trans	-59.4	123.1	175.5	-179.6	-179.2	171.3	-168.2	0	111.8	Y577 Y598 Q601	K573-Y577 WeakPolarHBondContact CE-O 3.03Å; K573-Y598 WeakPolarHBondContact CD-OH 3.3Å; K573-Q601 VanDerWaalsContact N-NE2 3.17Å
574	K	83.3	Confident	88	Confident	42 Å²	42	30.4 Å²	30.4	18%	0.183	14%	0.136	C	C	.	.			trans	-75.6	149.7	173.1	-53.1	-173.7	-163.5	161.7	0	111.7	Q572 H576 Y577	Q572-K574 PolarHBondContact O-N 2.96Å; K574-H576 VanDerWaalsContact C-N 3.3Å; K574-H576 PolarHBondContact O-N 3.02Å; K574-Y577 HydrophobicContact CB-CD1 4.32Å; K574-Y577 HydrophobicContact CB-CD2 3.69Å; K574-Y577 HydrophobicContact CB-CE2 3.97Å; K574-Y577 HydrophobicContact CB-CG 3.88Å; K574-Y577 HydrophobicContact CD-CD2 4.13Å; K574-Y577 HydrophobicContact CD-CE1 4.28Å; K574-Y577 HydrophobicContact CD-CE2 3.47Å; K574-Y577 VanDerWaalsContact CD-CE2 3.47Å; K574-Y577 HydrophobicContact CG-CD2 3.87Å; K574-Y577 HydrophobicContact CG-CE2 3.7Å; K574-Y577 PolarHBondContact NZ-OH 3.14Å; K574-Y577 PolarHBondContact O-N 3.18Å; K574-Y577 VanDerWaalsContact O-N 3.11Å
575	K	85	Confident	89.6	Confident	207 Å²	207	29.5 Å²	29.5	90%	0.9	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.2	-176.5	-173.1	178.3	179.3	-178.6	0	113.4	Y577	K575-Y577 VanDerWaalsContact C-N 3.32Å
576	H	88.2	Confident	90.3	Very high	48 Å²	48	25.2 Å²	25.2	22%	0.222	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.3	-179.4	54.4	-87.4	0	0	0	113.6	D534 R535 H536 K574	D534-H576 IonicContact OD1-CD2 2.66Å; D534-H576 PolarHBondContact OD1-CD2 2.66Å; D534-H576 IonicContact OD2-CD2 3.06Å; D534-H576 IonicContact OD2-NE2 3.9Å; R535-H576 WeakPolarHBondContact CB-O 3.41Å; R535-H576 WeakPolarHBondContact CD-O 3.48Å; R535-H576 WeakPolarHBondContact CG-O 3.2Å; R535-H576 PolarHBondContact N-O 3.37Å; H536-H576 WeakPolarHBondContact CD2-CB 3.12Å; H536-H576 AromaticContact CD2-CD2 3.56Å; H536-H576 AromaticContact CD2-CG 3.31Å; H536-H576 AromaticContact CD2-ND1 3.82Å; H536-H576 WeakPolarHBondContact NE2-CB 3.4Å; H536-H576 AromaticContact NE2-CG 3.59Å; H536-H576 AromaticContact NE2-ND1 3.93Å; K574-H576 VanDerWaalsContact C-N 3.3Å; K574-H576 PolarHBondContact O-N 3.02Å
577	Y	93.1	Very high	90.4	Very high	15 Å²	15	25.8 Å²	25.8	6%	0.059	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	134.6	-179.5	-67.6	-9.2	0	0	0	112.6	H532 Y533 D534 K573 K574 K575	H532-Y577 HydrophobicContact CB-CD2 4.47Å; H532-Y577 AromaticContact CD2-CD1 3.53Å; H532-Y577 AromaticContact CD2-CD2 3.15Å; H532-Y577 WeakPolarHBondContact CD2-CD2 3.3Å; H532-Y577 AromaticContact CD2-CE1 3.55Å; H532-Y577 AromaticContact CD2-CE2 3.21Å; H532-Y577 WeakPolarHBondContact CD2-CE2 3.41Å; H532-Y577 AromaticContact CD2-CG 3.33Å; H532-Y577 AromaticContact CD2-CZ 3.41Å; H532-Y577 VanDerWaalsContact CD2-CZ 3.41Å; H532-Y577 AromaticContact CG-CD2 3.93Å; H532-Y577 AromaticContact NE2-CD2 3.67Å; H532-Y577 AromaticContact NE2-CE1 3.66Å; H532-Y577 AromaticContact NE2-CE2 3.17Å; H532-Y577 WeakPolarHBondContact NE2-CE2 3.41Å; H532-Y577 AromaticContact NE2-CZ 3.15Å; Y533-Y577 WeakPolarHBondContact O-CA 3.05Å; D534-Y577 HydrophobicContact CB-CD1 4.27Å; D534-Y577 HydrophobicContact CB-CE1 3.95Å; D534-Y577 WeakPolarHBondContact OD2-CE1 3.45Å; K573-Y577 WeakPolarHBondContact CE-O 3.03Å; K574-Y577 HydrophobicContact CB-CD1 4.32Å; K574-Y577 HydrophobicContact CB-CD2 3.69Å; K574-Y577 HydrophobicContact CB-CE2 3.97Å; K574-Y577 HydrophobicContact CB-CG 3.88Å; K574-Y577 HydrophobicContact CD-CD2 4.13Å; K574-Y577 HydrophobicContact CD-CE1 4.28Å; K574-Y577 HydrophobicContact CD-CE2 3.47Å; K574-Y577 VanDerWaalsContact CD-CE2 3.47Å; K574-Y577 HydrophobicContact CG-CD2 3.87Å; K574-Y577 HydrophobicContact CG-CE2 3.7Å; K574-Y577 PolarHBondContact NZ-OH 3.14Å; K574-Y577 PolarHBondContact O-N 3.18Å; K574-Y577 VanDerWaalsContact O-N 3.11Å; K575-Y577 VanDerWaalsContact C-N 3.32Å
578	I	95	Very high	90.3	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.041	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.5	166.8	-56.8	-179.7	0	0	0	108	T418 K419 H532 Y533 R535	T418-I578 HydrophobicContact CG2-CD1 3.74Å; T418-I578 HydrophobicContact CG2-CG2 4.3Å; T418-I578 WeakPolarHBondContact O-CD1 3.37Å; K419-I578 WeakPolarHBondContact O-CG2 3.24Å; H532-I578 WeakPolarHBondContact CA-O 3.37Å; Y533-I578 HydrophobicContact CD1-CB 4.36Å; Y533-I578 HydrophobicContact CD1-CD1 3.87Å; Y533-I578 HydrophobicContact CD1-CG1 4.23Å; Y533-I578 HydrophobicContact CE1-CD1 4.39Å; Y533-I578 PolarHBondContact N-O 2.5Å; Y533-I578 PolarHBondContact O-N 3.38Å; R535-I578 HydrophobicContact CG-CD1 4.12Å; R535-I578 HydrophobicContact CG-CG1 4.17Å; R535-I578 VanDerWaalsContact NE-CG1 3.26Å
579	Q	95.1	Very high	90.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.158	C	C	.	.			trans	-132.7	-3	-175.2	-165.1	-175.6	-6.7	0	0	112.4	V530 H532 E571 G581 S582 Y598 Y617	V530-Q579 HydrophobicContact CG2-CG 3.88Å; V530-Q579 VanDerWaalsContact CG2-NE2 3.31Å; H532-Q579 HydrophobicContact CB-CB 4.41Å; H532-Q579 HydrophobicContact CB-CG 4.42Å; E571-Q579 PolarHBondContact OE1-NE2 3.4Å; E571-Q579 PolarHBondContact OE2-NE2 2.94Å; E571-Q579 PolarHBondContact OE2-OE1 3.22Å; Q579-G581 PolarHBondContact O-N 2.79Å; Q579-S582 WeakPolarHBondContact CA-OG 3.47Å; Q579-S582 VanDerWaalsContact O-CB 3.28Å; Q579-S582 WeakPolarHBondContact O-CB 3.29Å; Q579-S582 PolarHBondContact O-N 3.37Å; Q579-S582 PolarHBondContact O-OG 2.9Å; Q579-Y598 HydrophobicContact CB-CD1 4.2Å; Q579-Y598 HydrophobicContact CB-CE1 4.23Å; Q579-Y598 HydrophobicContact CG-CD1 4.03Å; Q579-Y598 HydrophobicContact CG-CD2 4.21Å; Q579-Y598 HydrophobicContact CG-CE1 4.31Å; Q579-Y598 HydrophobicContact CG-CE2 4.45Å; Q579-Y598 HydrophobicContact CG-CG 3.97Å; Q579-Y598 WeakPolarHBondContact O-CD1 3.03Å; Q579-Y617 PolarHBondContact NE2-OH 3.07Å
580	L	97.1	Very high	90	Very high	37 Å²	37	36.4 Å²	36.4	19%	0.194	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	126.1	178.3	-179.8	64.4	0	0	0	110.1	C420 I421 A443 E445 S582 L599	C420-L580 CarbonylContact C-O 3.56Å; C420-L580 VanDerWaalsContact CA-O 3.28Å; C420-L580 WeakPolarHBondContact CA-O 3.17Å; C420-L580 VanDerWaalsContact CB-O 3.29Å; C420-L580 WeakPolarHBondContact CB-O 3.07Å; I421-L580 PolarHBondContact N-O 3.08Å; A443-L580 HydrophobicContact CB-CD1 3.53Å; A443-L580 HydrophobicContact CB-CG 3.82Å; E445-L580 HydrophobicContact CB-CD1 4.44Å; E445-L580 HydrophobicContact CB-CD2 4.2Å; E445-L580 HydrophobicContact CG-CD2 4.24Å; L580-S582 VanDerWaalsContact C-N 3.31Å; L580-L599 VanDerWaalsContact CD1-O 3.26Å; L580-L599 WeakPolarHBondContact CD1-O 3.45Å
581	G	97.8	Very high	90.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	2	-178.9	0	0	0	0	0	115.2	I421 A443 Q579 Y598	I421-G581 CarbonylContact O-C 3.57Å; I421-G581 WeakPolarHBondContact O-CA 3.49Å; I421-G581 VanDerWaalsContact O-O 3.09Å; A443-G581 VanDerWaalsContact N-CA 3.34Å; Q579-G581 PolarHBondContact O-N 2.79Å; G581-Y598 PolarHBondContact N-O 3.49Å
582	S	97.8	Very high	91.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.			trans	-66.1	141.6	-178.4	-49.5	0	0	0	0	111.5	I421 T531 Q579 L580 Y598	I421-S582 WeakPolarHBondContact CB-OG 3.48Å; T531-S582 WeakPolarHBondContact O-CB 3.44Å; T531-S582 PolarHBondContact O-OG 3.42Å; Q579-S582 WeakPolarHBondContact CA-OG 3.47Å; Q579-S582 VanDerWaalsContact O-CB 3.28Å; Q579-S582 WeakPolarHBondContact O-CB 3.29Å; Q579-S582 PolarHBondContact O-N 3.37Å; Q579-S582 PolarHBondContact O-OG 2.9Å; L580-S582 VanDerWaalsContact C-N 3.31Å; S582-Y598 PolarHBondContact O-N 3.27Å
583	P	98	Very high	92.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	139.5	175	34.2	-38.2	0	0	0	110.3	V585 Q594	P583-V585 HydrophobicContact CB-CG2 3.74Å; P583-V585 HydrophobicContact CG-CG2 3.96Å; P583-Q594 HydrophobicContact CB-CG 3.98Å
584	M	96.8	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	108.2	158.4	179.5	172.8	70.9	0	0	107.6	P522 V545 I547 I567 Q594 Y595 G596 Y617	P522-M584 HydrophobicContact CG-CE 3.86Å; V545-M584 HydrophobicContact CG2-CG 4.5Å; I547-M584 HydrophobicContact CD1-CE 4.35Å; I547-M584 HydrophobicContact CD1-SD 3.5Å; I547-M584 WeakPolarHBondContact CD1-SD 3.43Å; I567-M584 HydrophobicContact CB-CE 3.88Å; I567-M584 HydrophobicContact CD1-CE 3.63Å; I567-M584 HydrophobicContact CG1-CE 4.37Å; I567-M584 HydrophobicContact CG2-CE 3.61Å; I567-M584 HydrophobicContact CG2-SD 4.22Å; M584-Q594 WeakPolarHBondContact O-CA 3.38Å; M584-Y595 VanDerWaalsContact CE-CB 3.48Å; M584-Y595 PolarHBondContact O-N 3.18Å; M584-G596 PolarHBondContact N-O 3.39Å; M584-Y617 HydrophobicContact CB-CD1 3.53Å; M584-Y617 HydrophobicContact CB-CE1 3.61Å; M584-Y617 HydrophobicContact CB-CG 4.2Å; M584-Y617 HydrophobicContact CG-CD1 4.44Å; M584-Y617 HydrophobicContact CG-CE1 4.38Å; M584-Y617 HydrophobicContact SD-CD1 4.31Å; M584-Y617 HydrophobicContact SD-CD2 4.11Å; M584-Y617 HydrophobicContact SD-CE2 4.37Å; M584-Y617 HydrophobicContact SD-CG 4.09Å
585	V	96.2	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.7	-177.1	-178.7	0	0	0	0	109.4	W406 V513 C528 Y529 P583 A592 Y593	W406-V585 HydrophobicContact CZ2-CG1 3.78Å; V513-V585 HydrophobicContact CG2-CG1 4.07Å; V513-V585 HydrophobicContact CG2-CG2 4.29Å; C528-V585 CarbonylContact C-O 3.48Å; C528-V585 WeakPolarHBondContact CA-O 3.45Å; Y529-V585 PolarHBondContact N-O 3.04Å; Y529-V585 PolarHBondContact O-N 3.5Å; P583-V585 HydrophobicContact CB-CG2 3.74Å; P583-V585 HydrophobicContact CG-CG2 3.96Å; V585-A592 HydrophobicContact CG1-CB 3.74Å; V585-Y593 CarbonylContact C-O 3.59Å; V585-Y593 WeakPolarHBondContact CA-O 3.35Å
586	C	94	Very high	94.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.1	176.9	-51.5	0	0	0	0	110.4	P522 A526 S527 C528 Y593 Y595	P522-C586 HydrophobicContact CB-CB 4.44Å; P522-C586 VanDerWaalsContact CB-SG 3.6Å; A526-C586 HydrophobicContact CB-CB 4.02Å; S527-C586 CarbonylContact O-C 3.51Å; S527-C586 VanDerWaalsContact O-CA 3.3Å; S527-C586 WeakPolarHBondContact O-CA 3.33Å; C528-C586 HydrophobicContact CB-CB 4.09Å; C528-C586 WeakPolarHBondContact CB-SG 3.34Å; C528-C586 WeakPolarHBondContact SG-CB 3.42Å; C528-C586 CovalentContact SG-SG 2.04Å; C528-C586 PolarHBondContact SG-SG 2.79Å; C586-Y593 PolarHBondContact N-O 3.45Å; C586-Y593 PolarHBondContact O-N 2.99Å; C586-Y595 HydrophobicContact CB-CD2 3.8Å; C586-Y595 HydrophobicContact CB-CE2 3.74Å
587	I	90.4	Very high	94.7	Very high	12 Å²	12	19.5 Å²	19.5	6%	0.062	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.2	174.6	-55.9	172.6	0	0	0	108	L391 S527 Y529 R591	L391-I587 HydrophobicContact CB-CD1 3.77Å; L391-I587 HydrophobicContact CB-CG1 4.36Å; L391-I587 HydrophobicContact CD1-CG1 4.27Å; L391-I587 HydrophobicContact CD1-CG2 3.96Å; S527-I587 PolarHBondContact O-N 2.05Å; Y529-I587 HydrophobicContact CE2-CD1 3.63Å; Y529-I587 HydrophobicContact CE2-CG1 3.99Å; I587-R591 CarbonylContact C-O 3.49Å; I587-R591 WeakPolarHBondContact CA-O 3.23Å
588	V	89.5	Confident	94.8	Very high	13 Å²	13	19 Å²	19	8%	0.079	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.3	-179.7	-178.9	0	0	0	0	107.6	P523 Y525 A526 G590 R591 Y593	P523-V588 HydrophobicContact CG-CG2 4.1Å; Y525-V588 HydrophobicContact CE2-CG1 4.2Å; A526-V588 HydrophobicContact CB-CG2 3.92Å; V588-G590 PolarHBondContact O-N 2.78Å; V588-G590 VanDerWaalsContact O-N 3.1Å; V588-R591 PolarHBondContact N-O 2.91Å; V588-R591 PolarHBondContact O-N 2.93Å; V588-Y593 HydrophobicContact CB-CD2 4Å; V588-Y593 HydrophobicContact CB-CE2 3.91Å; V588-Y593 HydrophobicContact CG2-CD2 4.25Å
589	H	85.5	Confident	94.8	Very high	169 Å²	169	19.6 Å²	19.6	78%	0.782	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	39.5	-178.9	-52.4	128.7	0	0	0	114.5	Y525 R591	Y525-H589 AromaticContact CE2-NE2 3.99Å; Y525-H589 PolarHBondContact OH-CE1 2.87Å; H589-R591 PolarHBondContact O-N 3.01Å
590	G	86.2	Confident	94.6	Very high	46 Å²	46	21.5 Å²	21.5	47%	0.474	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	5	178.5	0	0	0	0	0	115.6	L391 V588	L391-G590 WeakPolarHBondContact CD1-O 3.31Å; V588-G590 PolarHBondContact O-N 2.78Å; V588-G590 VanDerWaalsContact O-N 3.1Å
591	R	93.4	Very high	94.3	Very high	51 Å²	51	22.9 Å²	22.9	19%	0.192	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.8	175.1	-175.6	169.2	-75.2	173.5	-7	111.6	E430 I587 V588 H589 Y593	E430-R591 PolarHBondContact O-NH1 2.84Å; E430-R591 IonicContact OE1-NH1 2.95Å; E430-R591 WeakPolarHBondContact OE2-CD 3.21Å; E430-R591 IonicContact OE2-NH1 3.17Å; E430-R591 PolarHBondContact OE2-NH1 3.22Å; E430-R591 VanDerWaalsContact OE2-NH1 3.08Å; I587-R591 CarbonylContact C-O 3.49Å; I587-R591 WeakPolarHBondContact CA-O 3.23Å; V588-R591 PolarHBondContact N-O 2.91Å; V588-R591 PolarHBondContact O-N 2.93Å; H589-R591 PolarHBondContact O-N 3.01Å; R591-Y593 HydrophobicContact CB-CE2 3.77Å; R591-Y593 WeakPolarHBondContact CD-OH 3.35Å; R591-Y593 HydrophobicContact CG-CE1 4.42Å; R591-Y593 HydrophobicContact CG-CE2 3.84Å; R591-Y593 WeakPolarHBondContact O-CD2 3.07Å
592	A	96.4	Very high	93.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	-179.1	0	0	0	0	0	112.6	G382 L391 W406 V513 C514 V585	G382-A592 WeakPolarHBondContact CA-O 3.18Å; G382-A592 WeakPolarHBondContact O-CB 3.17Å; G382-A592 PolarHBondContact O-N 3.4Å; L391-A592 HydrophobicContact CD1-CB 4Å; L391-A592 HydrophobicContact CD2-CB 3.99Å; W406-A592 HydrophobicContact CH2-CB 3.34Å; W406-A592 HydrophobicContact CZ2-CB 3.83Å; W406-A592 HydrophobicContact CZ3-CB 4.06Å; V513-A592 HydrophobicContact CG2-CB 4.26Å; V513-A592 WeakPolarHBondContact CG2-O 3.47Å; C514-A592 PolarHBondContact N-O 3.46Å; V585-A592 HydrophobicContact CG1-CB 3.74Å
593	Y	97.4	Very high	93.1	Very high	39 Å²	39	27.1 Å²	27.1	15%	0.153	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.1	178.2	-57	-94.3	0	0	0	111	E430 C514 V585 C586 V588 R591	E430-Y593 WeakPolarHBondContact OE2-CE1 3.24Å; E430-Y593 VanDerWaalsContact OE2-CZ 3.28Å; E430-Y593 PolarHBondContact OE2-OH 3.03Å; C514-Y593 HydrophobicContact CB-CD1 3.64Å; C514-Y593 HydrophobicContact CB-CE1 3.99Å; C514-Y593 HydrophobicContact CB-CG 4.41Å; C514-Y593 CarbonylContact O-C 3.37Å; C514-Y593 WeakPolarHBondContact O-CA 3.24Å; V585-Y593 CarbonylContact C-O 3.59Å; V585-Y593 WeakPolarHBondContact CA-O 3.35Å; C586-Y593 PolarHBondContact N-O 3.45Å; C586-Y593 PolarHBondContact O-N 2.99Å; V588-Y593 HydrophobicContact CB-CD2 4Å; V588-Y593 HydrophobicContact CB-CE2 3.91Å; V588-Y593 HydrophobicContact CG2-CD2 4.25Å; R591-Y593 HydrophobicContact CB-CE2 3.77Å; R591-Y593 WeakPolarHBondContact CD-OH 3.35Å; R591-Y593 HydrophobicContact CG-CE1 4.42Å; R591-Y593 HydrophobicContact CG-CE2 3.84Å; R591-Y593 WeakPolarHBondContact O-CD2 3.07Å
594	Q	97.9	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.5	170.4	-179.2	174.5	-4.4	0	0	110	S423 V425 V513 C514 A516 P583 M584 G596 I620	S423-Q594 VanDerWaalsContact OG-CD 3.23Å; S423-Q594 PolarHBondContact OG-NE2 3.24Å; S423-Q594 PolarHBondContact OG-OE1 3.11Å; V425-Q594 VanDerWaalsContact CG1-OE1 3.29Å; V513-Q594 HydrophobicContact CG1-CB 3.83Å; V513-Q594 HydrophobicContact CG2-CB 4.3Å; C514-Q594 PolarHBondContact O-N 3.03Å; A516-Q594 VanDerWaalsContact CB-O 3.29Å; A516-Q594 WeakPolarHBondContact CB-O 3.48Å; A516-Q594 PolarHBondContact N-O 3.29Å; P583-Q594 HydrophobicContact CB-CG 3.98Å; M584-Q594 WeakPolarHBondContact O-CA 3.38Å; Q594-G596 PolarHBondContact NE2-O 2.78Å; Q594-I620 WeakPolarHBondContact O-CD1 3.3Å
595	Y	96.7	Very high	91	Very high	19 Å²	19	37.1 Å²	37.1	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-24.7	178	-80.3	-92.7	0	0	0	113.1	A516 S520 V521 P522 P523 M584 C586	A516-Y595 HydrophobicContact CB-CD1 3.46Å; A516-Y595 VanDerWaalsContact CB-CD1 3.46Å; A516-Y595 HydrophobicContact CB-CD2 3.88Å; A516-Y595 HydrophobicContact CB-CE1 3.52Å; A516-Y595 HydrophobicContact CB-CE2 3.94Å; A516-Y595 HydrophobicContact CB-CG 3.65Å; S520-Y595 WeakPolarHBondContact OG-CE1 3.22Å; V521-Y595 WeakPolarHBondContact O-CE1 3.38Å; P522-Y595 HydrophobicContact CB-CD1 4.41Å; P522-Y595 HydrophobicContact CB-CD2 4.37Å; P522-Y595 HydrophobicContact CB-CE1 4.43Å; P522-Y595 HydrophobicContact CB-CE2 4.39Å; P522-Y595 HydrophobicContact CB-CG 4.37Å; P522-Y595 HydrophobicContact CG-CD1 3.78Å; P522-Y595 HydrophobicContact CG-CD2 3.98Å; P522-Y595 HydrophobicContact CG-CE1 4.28Å; P522-Y595 HydrophobicContact CG-CE2 4.46Å; P522-Y595 HydrophobicContact CG-CG 3.61Å; P523-Y595 WeakPolarHBondContact CD-OH 3.27Å; M584-Y595 VanDerWaalsContact CE-CB 3.48Å; M584-Y595 PolarHBondContact O-N 3.18Å; C586-Y595 HydrophobicContact CB-CD2 3.8Å; C586-Y595 HydrophobicContact CB-CE2 3.74Å
596	G	96.2	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	174.4	-175.3	0	0	0	0	0	114.8	M584 Q594 S618	M584-G596 PolarHBondContact N-O 3.39Å; Q594-G596 PolarHBondContact NE2-O 2.78Å; G596-S618 CarbonylContact C-O 3.53Å; G596-S618 WeakPolarHBondContact CA-O 3.44Å
597	V	97.4	Very high	88.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.6	176.9	177.2	0	0	0	0	108.9	L441 V495 L599 Y617 S618 I620	L441-V597 HydrophobicContact CB-CG2 4.44Å; V495-V597 HydrophobicContact CG1-CB 3.92Å; V495-V597 HydrophobicContact CG1-CG1 4.37Å; V495-V597 HydrophobicContact CG1-CG2 3.93Å; V597-L599 HydrophobicContact CG1-CD2 4.36Å; V597-L599 PolarHBondContact O-N 2.84Å; V597-Y617 CarbonylContact O-C 3.54Å; V597-Y617 VanDerWaalsContact O-CA 3.3Å; V597-Y617 WeakPolarHBondContact O-CA 3.49Å; V597-S618 PolarHBondContact N-O 3.16Å; V597-S618 VanDerWaalsContact N-O 3.1Å; V597-S618 PolarHBondContact O-N 3.02Å; V597-I620 HydrophobicContact CG2-CG2 4.49Å
598	Y	96.9	Very high	87.5	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.6	-179.4	-178	-86	0	0	0	111.4	E571 K573 Q579 G581 S582 Q601 Y617	E571-Y598 WeakPolarHBondContact OE1-CE2 3.49Å; K573-Y598 WeakPolarHBondContact CD-OH 3.3Å; Q579-Y598 HydrophobicContact CB-CD1 4.2Å; Q579-Y598 HydrophobicContact CB-CE1 4.23Å; Q579-Y598 HydrophobicContact CG-CD1 4.03Å; Q579-Y598 HydrophobicContact CG-CD2 4.21Å; Q579-Y598 HydrophobicContact CG-CE1 4.31Å; Q579-Y598 HydrophobicContact CG-CE2 4.45Å; Q579-Y598 HydrophobicContact CG-CG 3.97Å; Q579-Y598 WeakPolarHBondContact O-CD1 3.03Å; G581-Y598 PolarHBondContact N-O 3.49Å; S582-Y598 PolarHBondContact O-N 3.27Å; Y598-Q601 PolarHBondContact OH-N 3.34Å; Y598-Y617 HydrophobicContact CD2-CD1 4.46Å; Y598-Y617 AromaticContact CD2-CE1 3.89Å; Y598-Y617 HydrophobicContact CD2-CE1 3.89Å; Y598-Y617 HydrophobicContact CD2-CE2 4.08Å; Y598-Y617 AromaticContact CD2-CZ 3.67Å; Y598-Y617 HydrophobicContact CG-CE1 4.25Å
599	L	94.3	Very high	86.3	Confident	22 Å²	22	55.5 Å²	55.5	12%	0.115	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-49	178.2	-58	-174.4	0	0	0	112.5	A443 L484 G494 L580 V597 F616	A443-L599 HydrophobicContact CB-CD2 3.67Å; L484-L599 HydrophobicContact CD1-CD1 3.4Å; G494-L599 VanDerWaalsContact O-CD2 3.3Å; G494-L599 WeakPolarHBondContact O-CD2 3.44Å; L580-L599 VanDerWaalsContact CD1-O 3.26Å; L580-L599 WeakPolarHBondContact CD1-O 3.45Å; V597-L599 HydrophobicContact CG1-CD2 4.36Å; V597-L599 PolarHBondContact O-N 2.84Å; L599-F616 HydrophobicContact CB-CD1 4.22Å; L599-F616 HydrophobicContact CD1-CD1 4.26Å; L599-F616 HydrophobicContact CD1-CE1 4.03Å; L599-F616 PolarHBondContact N-O 2.78Å
600	N	91.8	Very high	85.6	Confident	39 Å²	39	48.9 Å²	48.9	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	169.9	-177	63.7	-69	0	0	0	112.2	F616	N600-F616 WeakPolarHBondContact O-CB 3.43Å; N600-F616 PolarHBondContact O-N 2.81Å
601	Q	90.4	Very high	85.1	Confident	67 Å²	67	50.3 Å²	50.3	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.2	170.8	-161.2	173.3	28.4	0	0	109.8	E571 K573 Y598 K613 L614	E571-Q601 PolarHBondContact O-NE2 2.9Å; K573-Q601 VanDerWaalsContact N-NE2 3.17Å; Y598-Q601 PolarHBondContact OH-N 3.34Å; Q601-K613 HydrophobicContact CG-CB 4.33Å; Q601-L614 CarbonylContact C-O 3.5Å; Q601-L614 VanDerWaalsContact CA-O 3.32Å; Q601-L614 WeakPolarHBondContact CA-O 3.36Å; Q601-L614 WeakPolarHBondContact CG-O 3.3Å
602	L	86.3	Confident	84.3	Confident	27 Å²	27	49.5 Å²	49.5	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	154.1	168.2	-57.3	176.7	0	0	0	109.5	K613 L614 F616	L602-K613 WeakPolarHBondContact O-CA 3.5Å; L602-L614 HydrophobicContact CB-CB 4.36Å; L602-L614 PolarHBondContact N-O 3.22Å; L602-L614 PolarHBondContact O-N 2.81Å; L602-F616 HydrophobicContact CD1-CB 3.92Å; L602-F616 HydrophobicContact CD1-CD2 3.82Å; L602-F616 HydrophobicContact CD1-CG 4.23Å; L602-F616 HydrophobicContact CD2-CB 4.47Å; L602-F616 HydrophobicContact CG-CB 3.89Å
603	S	83.1	Confident	83.7	Confident	62 Å²	62	52.9 Å²	52.9	43%	0.434	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	105.7	174.2	-170.7	0	0	0	0	107.8	K613	S603-K613 PolarHBondContact OG-NZ 2.89Å
604	L	77	Confident	83.2	Confident	74 Å²	74	51.3 Å²	51.3	39%	0.387	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.8	172.1	-63.6	-173.4	0	0	0	109.1	I606 N611 Q612 L614	L604-I606 PolarHBondContact O-N 3.04Å; L604-N611 CarbonylContact O-C 3.55Å; L604-N611 WeakPolarHBondContact O-CA 3.45Å; L604-Q612 PolarHBondContact N-O 3.32Å; L604-Q612 PolarHBondContact O-N 3.3Å; L604-L614 HydrophobicContact CD1-CD1 3.28Å; L604-L614 HydrophobicContact CD1-CG 4.21Å; L604-L614 HydrophobicContact CG-CD1 3.78Å; L604-L614 HydrophobicContact CG-CG 4.38Å
605	K	74.9	Confident	82.9	Confident	136 Å²	136	51.3 Å²	51.3	59%	0.591	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.2	171.8	-172.7	-179.5	178.6	-173.4	0	107.7	N607 N608 N611	K605-N607 VanDerWaalsContact CE-O 3.25Å; K605-N607 WeakPolarHBondContact CE-O 3.06Å; K605-N607 WeakPolarHBondContact CG-O 3.4Å; K605-N608 VanDerWaalsContact CE-OD1 3.28Å; K605-N608 WeakPolarHBondContact CE-OD1 3.49Å; K605-N608 PolarHBondContact NZ-OD1 2.94Å; K605-N611 WeakPolarHBondContact CA-OD1 3.44Å
606	I	68.5	Low	82.7	Confident	59 Å²	59	50.6 Å²	50.6	30%	0.303	25%	0.25	S	C	.	.	S	Bend	trans	-74.2	-46	171.4	-61.8	-178.8	0	0	0	108.1	L604 V610 Q612	L604-I606 PolarHBondContact O-N 3.04Å; I606-V610 HydrophobicContact CB-CB 4.41Å; I606-V610 HydrophobicContact CB-CG1 4.49Å; I606-V610 WeakPolarHBondContact CB-O 3.25Å; I606-V610 HydrophobicContact CD1-CG1 4.06Å; I606-V610 PolarHBondContact N-O 2.79Å; I606-Q612 HydrophobicContact CD1-CB 3.84Å; I606-Q612 HydrophobicContact CG1-CB 4.09Å
607	N	67.5	Low	82.6	Confident	51 Å²	51	50.6 Å²	50.6	27%	0.273	25%	0.25	S	C	.	.	S	Bend	trans	-157.8	-168	175.3	62	38.3	0	0	0	110.8	K605 R609 V610	K605-N607 VanDerWaalsContact CE-O 3.25Å; K605-N607 WeakPolarHBondContact CE-O 3.06Å; K605-N607 WeakPolarHBondContact CG-O 3.4Å; N607-R609 PolarHBondContact O-N 2.86Å; N607-R609 PolarHBondContact OD1-N 3.36Å; N607-V610 PolarHBondContact N-O 3.19Å; N607-V610 PolarHBondContact OD1-N 2.58Å
608	N	71.1	Confident	82.4	Confident	142 Å²	142	50.6 Å²	50.6	76%	0.759	25%	0.25	S	C	*	.	S	Bend	trans	-64.7	-17.1	-178.6	-71.7	-17	0	0	0	114.8	K605	K605-N608 VanDerWaalsContact CE-OD1 3.28Å; K605-N608 WeakPolarHBondContact CE-OD1 3.49Å; K605-N608 PolarHBondContact NZ-OD1 2.94Å
609	R	64	Low	82.1	Confident	159 Å²	159	50.8 Å²	50.8	60%	0.6	25%	0.251	S	S	*	.	S	Bend	trans	-113.6	-30	-175.7	-65.1	-174.5	176	170.4	8.3	113.5	L42 D43 N607	L42-R609 PolarHBondContact O-NH1 3.12Å; D43-R609 IonicContact OD1-CZ 3.69Å; D43-R609 IonicContact OD1-NH1 3.92Å; D43-R609 PolarHBondContact OD1-NH1 2.91Å; D43-R609 IonicContact OD1-NH2 2.82Å; D43-R609 PolarHBondContact OD1-NH2 3.38Å; D43-R609 IonicContact OD2-NH2 3.83Å; N607-R609 PolarHBondContact O-N 2.86Å; N607-R609 PolarHBondContact OD1-N 3.36Å
610	V	69.5	Low	82	Confident	30 Å²	30	50 Å²	50	18%	0.182	25%	0.247	C	C	.	.			trans	-115.9	120.4	-171.7	-173.5	0	0	0	0	109.6	F180 V195 I606 N607	F180-V610 HydrophobicContact CE2-CG2 4.42Å; V195-V610 HydrophobicContact CG1-CG2 4.46Å; I606-V610 HydrophobicContact CB-CB 4.41Å; I606-V610 HydrophobicContact CB-CG1 4.49Å; I606-V610 WeakPolarHBondContact CB-O 3.25Å; I606-V610 HydrophobicContact CD1-CG1 4.06Å; I606-V610 PolarHBondContact N-O 2.79Å; N607-V610 PolarHBondContact N-O 3.19Å; N607-V610 PolarHBondContact OD1-N 2.58Å
611	N	75.5	Confident	81.9	Confident	75 Å²	75	48.5 Å²	48.5	40%	0.401	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.6	167.7	-67.2	-58.2	0	0	0	108.8	L604 K605	L604-N611 CarbonylContact O-C 3.55Å; L604-N611 WeakPolarHBondContact O-CA 3.45Å; K605-N611 WeakPolarHBondContact CA-OD1 3.44Å
612	Q	77.9	Confident	81.9	Confident	35 Å²	35	46.6 Å²	46.6	16%	0.164	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.2	168.5	-168.9	171.2	12.8	0	0	109	V570 L604 I606 L614	V570-Q612 VanDerWaalsContact CG2-NE2 3.33Å; L604-Q612 PolarHBondContact N-O 3.32Å; L604-Q612 PolarHBondContact O-N 3.3Å; I606-Q612 HydrophobicContact CD1-CB 3.84Å; I606-Q612 HydrophobicContact CG1-CB 4.09Å; Q612-L614 HydrophobicContact CG-CD2 3.89Å; Q612-L614 HydrophobicContact CG-CG 4.48Å
613	K	83.3	Confident	82.3	Confident	71 Å²	71	45.3 Å²	45.3	31%	0.309	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.5	171.8	-57.9	-59.4	-177.6	-177.8	0	108.7	E571 Q572 Q601 L602 S603	E571-K613 CarbonylContact O-C 3.55Å; E571-K613 WeakPolarHBondContact O-CB 3.22Å; E571-K613 VanDerWaalsContact O-O 3.14Å; Q572-K613 HydrophobicContact CG-CB 4.1Å; Q572-K613 HydrophobicContact CG-CG 4.37Å; Q601-K613 HydrophobicContact CG-CB 4.33Å; L602-K613 WeakPolarHBondContact O-CA 3.5Å; S603-K613 PolarHBondContact OG-NZ 2.89Å
614	L	86.6	Confident	82.8	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.3	178.4	-58.4	-177.9	0	0	0	109.8	T548 C568 A569 V570 Q601 L602 L604 Q612	T548-L614 HydrophobicContact CG2-CD1 4.33Å; T548-L614 HydrophobicContact CG2-CD2 3.9Å; C568-L614 HydrophobicContact CB-CD1 4.18Å; A569-L614 CarbonylContact O-C 3.21Å; A569-L614 VanDerWaalsContact O-CA 3.25Å; A569-L614 WeakPolarHBondContact O-CA 3.37Å; V570-L614 HydrophobicContact CB-CD2 4.43Å; V570-L614 HydrophobicContact CG2-CD2 3.87Å; Q601-L614 CarbonylContact C-O 3.5Å; Q601-L614 VanDerWaalsContact CA-O 3.32Å; Q601-L614 WeakPolarHBondContact CA-O 3.36Å; Q601-L614 WeakPolarHBondContact CG-O 3.3Å; L602-L614 HydrophobicContact CB-CB 4.36Å; L602-L614 PolarHBondContact N-O 3.22Å; L602-L614 PolarHBondContact O-N 2.81Å; L604-L614 HydrophobicContact CD1-CD1 3.28Å; L604-L614 HydrophobicContact CD1-CG 4.21Å; L604-L614 HydrophobicContact CG-CD1 3.78Å; L604-L614 HydrophobicContact CG-CG 4.38Å; Q612-L614 HydrophobicContact CG-CD2 3.89Å; Q612-L614 HydrophobicContact CG-CG 4.48Å
615	G	91.2	Very high	83.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.8	161.9	0	0	0	0	0	110.7	C568 A569 E571	C568-G615 WeakPolarHBondContact CA-O 3.37Å; A569-G615 PolarHBondContact N-O 2.9Å; A569-G615 VanDerWaalsContact N-O 3.15Å; A569-G615 PolarHBondContact O-N 3.44Å; E571-G615 VanDerWaalsContact CG-N 3.31Å; E571-G615 WeakPolarHBondContact OE1-CA 3.24Å
616	F	93	Very high	84.3	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.6	171.7	-178.8	-97.5	0	0	0	109.8	L484 W486 C553 L599 N600 L602	L484-F616 HydrophobicContact CD1-CE1 4.19Å; W486-F616 HydrophobicContact CZ3-CE1 4.06Å; W486-F616 HydrophobicContact CZ3-CE2 4.22Å; W486-F616 AromaticContact CZ3-CZ 3.79Å; W486-F616 HydrophobicContact CZ3-CZ 3.79Å; C553-F616 HydrophobicContact CB-CD2 3.88Å; C553-F616 HydrophobicContact CB-CE2 3.85Å; C553-F616 WeakPolarHBondContact SG-CD2 3.23Å; L599-F616 HydrophobicContact CB-CD1 4.22Å; L599-F616 HydrophobicContact CD1-CD1 4.26Å; L599-F616 HydrophobicContact CD1-CE1 4.03Å; L599-F616 PolarHBondContact N-O 2.78Å; N600-F616 WeakPolarHBondContact O-CB 3.43Å; N600-F616 PolarHBondContact O-N 2.81Å; L602-F616 HydrophobicContact CD1-CB 3.92Å; L602-F616 HydrophobicContact CD1-CD2 3.82Å; L602-F616 HydrophobicContact CD1-CG 4.23Å; L602-F616 HydrophobicContact CD2-CB 4.47Å; L602-F616 HydrophobicContact CG-CB 3.89Å
617	Y	94.8	Very high	85.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.6	178	-62.9	-98.6	0	0	0	109.1	V530 G566 I567 A569 E571 Q579 M584 V597 Y598 E619	V530-Y617 HydrophobicContact CB-CE1 4.45Å; V530-Y617 VanDerWaalsContact CB-OH 3.29Å; V530-Y617 WeakPolarHBondContact CB-OH 3.34Å; V530-Y617 HydrophobicContact CG2-CE1 3.92Å; V530-Y617 VanDerWaalsContact CG2-OH 3.28Å; V530-Y617 WeakPolarHBondContact CG2-OH 3.48Å; G566-Y617 CarbonylContact C-O 3.47Å; G566-Y617 WeakPolarHBondContact CA-O 3.36Å; I567-Y617 PolarHBondContact N-O 3.14Å; I567-Y617 PolarHBondContact O-N 2.78Å; A569-Y617 HydrophobicContact CB-CD2 4.49Å; A569-Y617 HydrophobicContact CB-CE2 3.91Å; E571-Y617 WeakPolarHBondContact OE1-CE2 3.4Å; E571-Y617 PolarHBondContact OE1-OH 2.66Å; Q579-Y617 PolarHBondContact NE2-OH 3.07Å; M584-Y617 HydrophobicContact CB-CD1 3.53Å; M584-Y617 HydrophobicContact CB-CE1 3.61Å; M584-Y617 HydrophobicContact CB-CG 4.2Å; M584-Y617 HydrophobicContact CG-CD1 4.44Å; M584-Y617 HydrophobicContact CG-CE1 4.38Å; M584-Y617 HydrophobicContact SD-CD1 4.31Å; M584-Y617 HydrophobicContact SD-CD2 4.11Å; M584-Y617 HydrophobicContact SD-CE2 4.37Å; M584-Y617 HydrophobicContact SD-CG 4.09Å; V597-Y617 CarbonylContact O-C 3.54Å; V597-Y617 VanDerWaalsContact O-CA 3.3Å; V597-Y617 WeakPolarHBondContact O-CA 3.49Å; Y598-Y617 HydrophobicContact CD2-CD1 4.46Å; Y598-Y617 AromaticContact CD2-CE1 3.89Å; Y598-Y617 HydrophobicContact CD2-CE1 3.89Å; Y598-Y617 HydrophobicContact CD2-CE2 4.08Å; Y598-Y617 AromaticContact CD2-CZ 3.67Å; Y598-Y617 HydrophobicContact CG-CE1 4.25Å; Y617-E619 PolarHBondContact O-N 2.81Å
618	S	92.8	Very high	86.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	135.7	166.8	-174.9	0	0	0	0	109.4	G596 V597	G596-S618 CarbonylContact C-O 3.53Å; G596-S618 WeakPolarHBondContact CA-O 3.44Å; V597-S618 PolarHBondContact N-O 3.16Å; V597-S618 VanDerWaalsContact N-O 3.1Å; V597-S618 PolarHBondContact O-N 3.02Å
619	E	91.9	Very high	87.7	Confident	8 Å²	8	35 Å²	35	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	154.8	161	-71	-177.5	-151.6	0	0	110.1	R552 R565 I567 Y617 T621	R552-E619 IonicContact NE-OE1 3.14Å; R552-E619 PolarHBondContact NE-OE1 3.42Å; R552-E619 VanDerWaalsContact NE-OE1 3.14Å; R565-E619 HydrophobicContact CB-CB 4.29Å; R565-E619 HydrophobicContact CB-CG 4.33Å; R565-E619 PolarHBondContact O-N 2.91Å; R565-E619 VanDerWaalsContact O-N 3.08Å; I567-E619 HydrophobicContact CD1-CG 4.12Å; I567-E619 HydrophobicContact CG1-CG 3.96Å; Y617-E619 PolarHBondContact O-N 2.81Å; E619-T621 PolarHBondContact OE2-OG1 2.87Å
620	I	91.6	Very high	88.9	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.036	19%	0.193	C	C	.	.	S	Bend	trans	-96	12.2	179.8	58.8	160.4	0	0	0	113.5	L515 A516 Q594 V597 I622 V623 H624	L515-I620 HydrophobicContact CB-CD1 3.91Å; L515-I620 HydrophobicContact CD2-CD1 3.91Å; L515-I620 HydrophobicContact CG-CD1 4.41Å; A516-I620 HydrophobicContact CB-CD1 4.39Å; Q594-I620 WeakPolarHBondContact O-CD1 3.3Å; V597-I620 HydrophobicContact CG2-CG2 4.49Å; I620-I622 PolarHBondContact O-N 3.49Å; I620-V623 HydrophobicContact CB-CB 4.36Å; I620-V623 HydrophobicContact CB-CG2 4.2Å; I620-V623 WeakPolarHBondContact O-CA 3.31Å; I620-V623 VanDerWaalsContact O-CB 3.25Å; I620-V623 WeakPolarHBondContact O-CB 3.27Å; I620-V623 PolarHBondContact O-N 2.83Å; I620-H624 PolarHBondContact O-N 3.48Å
621	T	90	Very high	89.8	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-54.7	-40.2	-179.5	-56.9	0	0	0	0	112.5	R518 E519 E619 V623 H624 E625	R518-T621 HydrophobicContact CG-CG2 4.44Å; E519-T621 HydrophobicContact CG-CG2 3.9Å; E619-T621 PolarHBondContact OE2-OG1 2.87Å; T621-V623 PolarHBondContact O-N 3.42Å; T621-H624 WeakPolarHBondContact O-CB 3.33Å; T621-H624 PolarHBondContact O-N 3.36Å; T621-E625 PolarHBondContact O-N 2.87Å; T621-E625 VanDerWaalsContact O-N 3.14Å
622	I	89.8	Confident	90.3	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.138	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-32.3	175.2	-169.3	153.7	0	0	0	113	Y482 V495 I620 E625 V626 V632	Y482-I622 HydrophobicContact CD1-CD1 3.84Å; Y482-I622 HydrophobicContact CD1-CG1 4.17Å; Y482-I622 HydrophobicContact CG-CD1 3.87Å; Y482-I622 HydrophobicContact CG-CG1 4.18Å; V495-I622 HydrophobicContact CG2-CG2 3.51Å; I620-I622 PolarHBondContact O-N 3.49Å; I622-E625 PolarHBondContact O-N 3.2Å; I622-V626 VanDerWaalsContact O-CG2 3.23Å; I622-V626 WeakPolarHBondContact O-CG2 3.42Å; I622-V626 PolarHBondContact O-N 3.1Å; I622-V632 HydrophobicContact CD1-CG1 3.59Å; I622-V632 HydrophobicContact CG1-CG1 3.83Å
623	V	93.7	Very high	90.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-41.1	177.9	-178	0	0	0	0	110.2	L441 V495 I497 L515 I620 T621 E625 V626 F627	L441-V623 HydrophobicContact CD1-CG1 4.07Å; L441-V623 HydrophobicContact CD1-CG2 4.08Å; L441-V623 HydrophobicContact CD2-CG1 3.91Å; L441-V623 HydrophobicContact CD2-CG2 3.99Å; V495-V623 HydrophobicContact CG2-CG2 4.19Å; I497-V623 HydrophobicContact CD1-CG1 4.17Å; I497-V623 HydrophobicContact CD1-CG2 4.41Å; L515-V623 HydrophobicContact CD1-CG1 4Å; I620-V623 HydrophobicContact CB-CB 4.36Å; I620-V623 HydrophobicContact CB-CG2 4.2Å; I620-V623 WeakPolarHBondContact O-CA 3.31Å; I620-V623 VanDerWaalsContact O-CB 3.25Å; I620-V623 WeakPolarHBondContact O-CB 3.27Å; I620-V623 PolarHBondContact O-N 2.83Å; T621-V623 PolarHBondContact O-N 3.42Å; V623-E625 VanDerWaalsContact C-N 3.35Å; V623-V626 PolarHBondContact O-N 3.17Å; V623-F627 HydrophobicContact CG1-CD2 3.93Å; V623-F627 HydrophobicContact CG1-CE1 4.2Å; V623-F627 HydrophobicContact CG1-CE2 3.48Å; V623-F627 VanDerWaalsContact CG1-CE2 3.48Å; V623-F627 HydrophobicContact CG1-CG 4.46Å; V623-F627 HydrophobicContact CG1-CZ 3.61Å; V623-F627 WeakPolarHBondContact O-CB 3.44Å; V623-F627 WeakPolarHBondContact O-CG 3.38Å; V623-F627 PolarHBondContact O-N 2.78Å
624	H	93.6	Very high	90.6	Very high	45 Å²	45	42.7 Å²	42.7	21%	0.208	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-42.2	174.2	-75	-65.3	0	0	0	112	A516 I620 T621 F627 A628	A516-H624 PolarHBondContact O-CE1 2.93Å; A516-H624 PolarHBondContact O-NE2 3.39Å; I620-H624 PolarHBondContact O-N 3.48Å; T621-H624 WeakPolarHBondContact O-CB 3.33Å; T621-H624 PolarHBondContact O-N 3.36Å; H624-F627 PolarHBondContact O-N 2.94Å; H624-A628 VanDerWaalsContact O-CB 3.31Å; H624-A628 WeakPolarHBondContact O-CB 3.23Å; H624-A628 PolarHBondContact O-N 2.84Å
625	E	91.3	Very high	90.4	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-43.5	177.9	-69	178.2	172.2	0	0	112.1	R518 T621 I622 V623 A628 G629 R630 V632	R518-E625 IonicContact CZ-OE1 3.64Å; R518-E625 VanDerWaalsContact NH1-CG 3.34Å; R518-E625 IonicContact NH1-OE1 3.6Å; R518-E625 IonicContact NH2-OE1 2.84Å; R518-E625 PolarHBondContact NH2-OE1 2.93Å; T621-E625 PolarHBondContact O-N 2.87Å; T621-E625 VanDerWaalsContact O-N 3.14Å; I622-E625 PolarHBondContact O-N 3.2Å; V623-E625 VanDerWaalsContact C-N 3.35Å; E625-A628 PolarHBondContact O-N 3.14Å; E625-G629 PolarHBondContact O-N 2.8Å; E625-R630 HydrophobicContact CB-CB 4.26Å; E625-R630 WeakPolarHBondContact O-CB 3.46Å; E625-R630 PolarHBondContact O-N 2.96Å; E625-V632 HydrophobicContact CB-CG2 3.9Å
626	V	92.7	Very high	89.6	Confident	28 Å²	28	48.9 Å²	48.9	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-41.9	176.8	174.3	0	0	0	0	111.3	Y482 I497 I622 V623 A628 G629 V632	Y482-V626 HydrophobicContact CE1-CG2 3.73Å; Y482-V626 HydrophobicContact CE2-CG2 4Å; Y482-V626 WeakPolarHBondContact OH-CG1 3.48Å; Y482-V626 VanDerWaalsContact OH-CG2 3.26Å; Y482-V626 WeakPolarHBondContact OH-CG2 3.39Å; I497-V626 HydrophobicContact CD1-CB 4.09Å; I497-V626 HydrophobicContact CD1-CG1 3.9Å; I497-V626 HydrophobicContact CD1-CG2 4.4Å; I622-V626 VanDerWaalsContact O-CG2 3.23Å; I622-V626 WeakPolarHBondContact O-CG2 3.42Å; I622-V626 PolarHBondContact O-N 3.1Å; V623-V626 PolarHBondContact O-N 3.17Å; V626-A628 VanDerWaalsContact C-N 3.29Å; V626-A628 PolarHBondContact O-N 3.4Å; V626-G629 PolarHBondContact O-N 3.05Å; V626-G629 VanDerWaalsContact O-N 3.08Å; V626-V632 HydrophobicContact CG2-CB 4.23Å; V626-V632 HydrophobicContact CG2-CG2 4.09Å
627	F	94.3	Very high	88.1	Confident	52 Å²	52	52.9 Å²	52.9	23%	0.228	31%	0.308	C	S	.	.	H	α-helix	trans	-71.6	-24.7	178.3	-68.4	-7.8	0	0	0	113.2	V425 K427 V439 I497 L515 V623 H624 G629	V425-F627 HydrophobicContact CG2-CE2 4.46Å; V425-F627 HydrophobicContact CG2-CZ 4.45Å; K427-F627 HydrophobicContact CB-CD2 3.99Å; K427-F627 HydrophobicContact CB-CE2 4.19Å; K427-F627 HydrophobicContact CB-CG 4.49Å; K427-F627 HydrophobicContact CD-CD1 4.19Å; K427-F627 HydrophobicContact CD-CD2 4.4Å; K427-F627 HydrophobicContact CD-CE1 4.21Å; K427-F627 HydrophobicContact CD-CE2 4.39Å; K427-F627 HydrophobicContact CD-CG 4.31Å; K427-F627 HydrophobicContact CD-CZ 4.33Å; K427-F627 HydrophobicContact CG-CD1 4.44Å; K427-F627 HydrophobicContact CG-CD2 3.85Å; K427-F627 HydrophobicContact CG-CE1 4.29Å; K427-F627 HydrophobicContact CG-CE2 3.65Å; K427-F627 HydrophobicContact CG-CG 4.26Å; K427-F627 HydrophobicContact CG-CZ 3.92Å; V439-F627 HydrophobicContact CG1-CE1 4.28Å; V439-F627 HydrophobicContact CG1-CZ 3.76Å; I497-F627 HydrophobicContact CD1-CE1 4.02Å; I497-F627 HydrophobicContact CD1-CZ 4.5Å; I497-F627 HydrophobicContact CG2-CE1 4.11Å; I497-F627 HydrophobicContact CG2-CZ 4.42Å; L515-F627 HydrophobicContact CD1-CD2 3.91Å; L515-F627 HydrophobicContact CD1-CE2 3.71Å; V623-F627 HydrophobicContact CG1-CD2 3.93Å; V623-F627 HydrophobicContact CG1-CE1 4.2Å; V623-F627 HydrophobicContact CG1-CE2 3.48Å; V623-F627 VanDerWaalsContact CG1-CE2 3.48Å; V623-F627 HydrophobicContact CG1-CG 4.46Å; V623-F627 HydrophobicContact CG1-CZ 3.61Å; V623-F627 WeakPolarHBondContact O-CB 3.44Å; V623-F627 WeakPolarHBondContact O-CG 3.38Å; V623-F627 PolarHBondContact O-N 2.78Å; H624-F627 PolarHBondContact O-N 2.94Å; F627-G629 PolarHBondContact O-N 3.37Å
628	A	92.7	Very high	86.2	Confident	77 Å²	77	60 Å²	60	64%	0.636	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	3	169.2	0	0	0	0	0	113.5	H624 E625 V626	H624-A628 VanDerWaalsContact O-CB 3.31Å; H624-A628 WeakPolarHBondContact O-CB 3.23Å; H624-A628 PolarHBondContact O-N 2.84Å; E625-A628 PolarHBondContact O-N 3.14Å; V626-A628 VanDerWaalsContact C-N 3.29Å; V626-A628 PolarHBondContact O-N 3.4Å
629	G	91.4	Very high	84.1	Confident	68 Å²	68	62 Å²	62	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	12.4	177.7	0	0	0	0	0	115	E625 V626 F627	E625-G629 PolarHBondContact O-N 2.8Å; V626-G629 PolarHBondContact O-N 3.05Å; V626-G629 VanDerWaalsContact O-N 3.08Å; F627-G629 PolarHBondContact O-N 3.37Å
630	R	90	Very high	81.4	Confident	156 Å²	156	68.6 Å²	68.6	59%	0.589	38%	0.377	S	S	*	.			trans	-70.3	143	175.6	-62.8	-170.3	174.6	-154.2	-3.9	110.8	E625 V632	E625-R630 HydrophobicContact CB-CB 4.26Å; E625-R630 WeakPolarHBondContact O-CB 3.46Å; E625-R630 PolarHBondContact O-N 2.96Å; R630-V632 HydrophobicContact CB-CG2 4.47Å; R630-V632 PolarHBondContact O-N 3.42Å
631	N	87.7	Confident	78.5	Confident	163 Å²	163	73.8 Å²	73.8	87%	0.872	40%	0.404	S	S	*	.			trans	-77.9	101.2	174.2	-169.3	-14.8	0	0	0	109.9
632	V	85.9	Confident	75.6	Confident	23 Å²	23	81.6 Å²	81.6	14%	0.139	44%	0.44	C	S	.	.			trans	-107.4	126.8	177.7	-174.5	0	0	0	0	109.7	Y482 I622 E625 V626 R630 T634	Y482-V632 HydrophobicContact CD1-CB 4.39Å; Y482-V632 HydrophobicContact CD1-CG1 4.01Å; Y482-V632 HydrophobicContact CE1-CB 4.04Å; Y482-V632 HydrophobicContact CE1-CG1 4.18Å; I622-V632 HydrophobicContact CD1-CG1 3.59Å; I622-V632 HydrophobicContact CG1-CG1 3.83Å; E625-V632 HydrophobicContact CB-CG2 3.9Å; V626-V632 HydrophobicContact CG2-CB 4.23Å; V626-V632 HydrophobicContact CG2-CG2 4.09Å; R630-V632 HydrophobicContact CB-CG2 4.47Å; R630-V632 PolarHBondContact O-N 3.42Å; V632-T634 PolarHBondContact O-N 3.08Å
633	P	83.4	Confident	72.8	Confident	111 Å²	111	86.1 Å²	86.1	72%	0.721	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-57.2	126.2	-179.4	-26.1	34.3	0	0	0	113
634	T	84.3	Confident	69.8	Low	78 Å²	78	89.5 Å²	89.5	48%	0.479	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-87.2	147.4	174	55.1	0	0	0	0	111.3	L481 Y482 V632	L481-T634 CarbonylContact O-C 3.47Å; L481-T634 VanDerWaalsContact O-CA 3.23Å; L481-T634 WeakPolarHBondContact O-CA 3.38Å; L481-T634 WeakPolarHBondContact O-CB 3.48Å; Y482-T634 HydrophobicContact CD1-CG2 4.3Å; Y482-T634 HydrophobicContact CE1-CG2 3.75Å; V632-T634 PolarHBondContact O-N 3.08Å
635	L	82.8	Confident	66.7	Low	43 Å²	43	92 Å²	92	23%	0.225	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-63.4	140.3	168.1	-69.4	175.4	0	0	0	110.2	A444 L481 I491 A493	A444-L635 HydrophobicContact CB-CD1 4.46Å; L481-L635 HydrophobicContact CB-CB 4.16Å; L481-L635 PolarHBondContact O-N 3.47Å; I491-L635 HydrophobicContact CG2-CD2 3.66Å; A493-L635 HydrophobicContact CB-CD1 4.48Å
636	P	74.7	Confident	63.8	Low	92 Å²	92	101.4 Å²	101.4	60%	0.597	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-63	142.4	175	25.5	-33	0	0	0	110.7	R638	P636-R638 PolarHBondContact O-N 3.33Å
637	D	60.6	Low	60.8	Low	88 Å²	88	106 Å²	106	47%	0.471	60%	0.598	S	S	.	*			trans	-68.9	93.2	172.6	-167.8	1.5	0	0	0	109.5	T639	D637-T639 PolarHBondContact O-N 3.35Å; D637-T639 VanDerWaalsContact OD1-CG2 3.27Å; D637-T639 WeakPolarHBondContact OD1-CG2 3.26Å; D637-T639 PolarHBondContact OD1-N 2.96Å
638	R	54.9	Low	57.7	Low	149 Å²	149	112.4 Å²	112.4	56%	0.562	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	22.9	-178.6	-77.6	-176.2	170.2	-162	2.8	113.8	P636 H640 I641	P636-R638 PolarHBondContact O-N 3.33Å; R638-H640 PolarHBondContact O-N 2.91Å; R638-H640 VanDerWaalsContact O-N 3.17Å; R638-I641 HydrophobicContact CB-CD1 4.28Å; R638-I641 HydrophobicContact CB-CG1 4.49Å; R638-I641 HydrophobicContact CG-CD1 4.3Å
639	T	49.9	Very low	54.8	Low	42 Å²	42	119.8 Å²	119.8	26%	0.258	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.3	-17.2	171.4	50.9	0	0	0	0	113.4	K451 D637	K451-T639 HydrophobicContact CG-CG2 3.9Å; D637-T639 PolarHBondContact O-N 3.35Å; D637-T639 VanDerWaalsContact OD1-CG2 3.27Å; D637-T639 WeakPolarHBondContact OD1-CG2 3.26Å; D637-T639 PolarHBondContact OD1-N 2.96Å
640	H	33.8	Very low	51.9	Low	146 Å²	146	121.9 Å²	121.9	68%	0.676	64%	0.642	S	S	*	*			trans	-113.5	68.2	178.1	-62.3	-82.5	0	0	0	111.3	R638	R638-H640 PolarHBondContact O-N 2.91Å; R638-H640 VanDerWaalsContact O-N 3.17Å
641	I	31.5	Very low	48.9	Very low	116 Å²	116	120.8 Å²	120.8	60%	0.595	65%	0.652	S	S	*	*			trans	-101.5	100.7	155.6	-63.4	176.4	0	0	0	105.6	R638	R638-I641 HydrophobicContact CB-CD1 4.28Å; R638-I641 HydrophobicContact CB-CG1 4.49Å; R638-I641 HydrophobicContact CG-CD1 4.3Å
642	H	28.6	Very low	46.3	Very low	171 Å²	171	121.3 Å²	121.3	79%	0.792	65%	0.649	S	S	*	*			trans	-57.5	137.6	160.1	-96.3	-68.7	0	0	0	107.8	G644	H642-G644 VanDerWaalsContact C-N 3.26Å; H642-G644 PolarHBondContact O-N 3.35Å
643	P	31.3	Very low	43.5	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	68%	0.678	S	S	*	*			trans	-66.1	89.9	176.7	27.2	-31.9	0	0	0	108.9
644	G	30.5	Very low	40.8	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	69%	0.685	S	S	*	*			trans	-58.3	137.2	168.3	0	0	0	0	0	109.6	H642	H642-G644 VanDerWaalsContact C-N 3.26Å; H642-G644 PolarHBondContact O-N 3.35Å
645	A	29.2	Very low	38.2	Very low	97 Å²	97	128.5 Å²	128.5	80%	0.802	70%	0.701	S	S	*	*			trans	-37.7	135.7	-166.2	0	0	0	0	0	115.3
646	R	29.3	Very low	35.6	Very low	236 Å²	236	131.9 Å²	131.9	89%	0.891	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-55.9	132.3	163.6	-86.7	177.1	172.4	179.5	-2.3	108.3	Q648	R646-Q648 PolarHBondContact O-N 2.92Å
647	P	31	Very low	33.4	Very low	124 Å²	124	133.2 Å²	133.2	81%	0.805	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.6	127.5	172.8	-19.4	30.2	0	0	0	109.5	R649	P647-R649 PolarHBondContact O-N 3.49Å
648	Q	27.7	Very low	31.7	Very low	187 Å²	187	134.3 Å²	134.3	87%	0.874	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-55.5	128.1	173.6	-72	173.5	-23.2	0	0	109	R646	R646-Q648 PolarHBondContact O-N 2.92Å
649	R	31.5	Very low	30.4	Very low	233 Å²	233	133 Å²	133	88%	0.879	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-68	135.1	171.5	-93.3	-177.6	177.8	-170.3	-2.4	108.3	P647 V651	P647-R649 PolarHBondContact O-N 3.49Å; R649-V651 PolarHBondContact O-N 3.17Å
650	P	32.2	Very low	29.2	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.4	129.3	175.5	-18.2	29.9	0	0	0	110.5	H652	P650-H652 PolarHBondContact O-N 2.9Å
651	V	26.3	Very low	29	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	80%	0.796	S	S	*	*			trans	-72	114.3	166	176	0	0	0	0	106.8	R649	R649-V651 PolarHBondContact O-N 3.17Å
652	H	32.8	Very low	28.9	Very low	173 Å²	173	134.2 Å²	134.2	80%	0.801	81%	0.805	S	S	*	*			trans	-124.3	131.1	158.1	-87.2	-64.8	0	0	0	109.1	P650	P650-H652 PolarHBondContact O-N 2.9Å
653	T	28	Very low	28.9	Very low	124 Å²	124	135.3 Å²	135.3	76%	0.761	81%	0.81	S	S	*	*			trans	-59.3	148.2	-174.4	37.4	0	0	0	0	113.4
654	S	25.6	Very low	28.8	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	81%	0.812	S	S	*	*			trans	-46	122.5	174.9	37.7	0	0	0	0	115.2
655	S	30.9	Very low	28.7	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	82%	0.819	S	S	*	*			trans	-137.3	130.8	137.7	53.4	0	0	0	0	108.9
656	S	26.9	Very low	28.7	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	82%	0.823	S	S	*	*			trans	-65.9	132.5	-174.6	43.5	0	0	0	0	113.4
657	S	29.9	Very low	28.7	Very low	120 Å²	120	147.1 Å²	147.1	84%	0.839	82%	0.823	S	S	*	*				176.2	140.9	126.1	39	0	0	0	0	111.6
658	S	24.6	Very low	28.5	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	83%	0.826	S	S	*	*			trans	-59.7	138.1	179	46.8	0	0	0	0	115
659	S	27.8	Very low	28.5	Very low	123 Å²	123	149.4 Å²	149.4	86%	0.86	82%	0.824	S	S	*	*				171.7	146.2	117.3	47.3	0	0	0	0	112.9
660	S	23.6	Very low	28.5	Very low	115 Å²	115	146.2 Å²	146.2	80%	0.804	82%	0.822	S	S	*	*			trans	-56	137.2	176.9	163.5	0	0	0	0	114.3
661	S	28.9	Very low	28.2	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	81%	0.814	S	S	*	*				179.6	137	129.3	56.6	0	0	0	0	114.4
662	S	30.6	Very low	28.3	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	82%	0.816	S	S	*	*			trans	38.8	119.3	147.1	47.5	0	0	0	0	122.8	E664	S662-E664 PolarHBondContact O-N 3.09Å
663	H	28.7	Very low	28.2	Very low	194 Å²	194	141 Å²	141	90%	0.898	81%	0.814	S	S	*	*			trans	-60.4	111.3	167.9	-80.1	-90.3	0	0	0	114.3
664	E	28	Very low	28.3	Very low	181 Å²	181	140.8 Å²	140.8	85%	0.846	82%	0.815	S	S	*	*			trans	-107.7	123.1	163.7	-151.3	176	-175.6	0	0	110.6	S662 H666	S662-E664 PolarHBondContact O-N 3.09Å; E664-H666 PolarHBondContact O-N 3.28Å
665	F	29.5	Very low	28.4	Very low	199 Å²	199	142.7 Å²	142.7	87%	0.873	82%	0.815	S	S	*	*			trans	-72	104.5	-178.6	-99.3	-99.2	0	0	0	110.8	K667	F665-K667 PolarHBondContact O-N 2.79Å
666	H	29.6	Very low	28.3	Very low	193 Å²	193	141.8 Å²	141.8	89%	0.894	82%	0.815	S	S	*	*			trans	-57.8	108.3	171.7	-79.8	-65.3	0	0	0	112.4	E664 R668	E664-H666 PolarHBondContact O-N 3.28Å; H666-R668 PolarHBondContact O-N 3.18Å
667	K	28.4	Very low	28.2	Very low	201 Å²	201	145.5 Å²	145.5	87%	0.874	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.9	121.4	161.1	-78.1	174	179	167	0	108.9	F665	F665-K667 PolarHBondContact O-N 2.79Å
668	R	27.5	Very low	28.2	Very low	233 Å²	233	145.5 Å²	145.5	88%	0.879	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.7	165.3	-86.9	-177	175.7	-170.1	-2.9	110.1	H666 I670	H666-R668 PolarHBondContact O-N 3.18Å; R668-I670 PolarHBondContact O-N 3.44Å
669	P	27	Very low	28.3	Very low	127 Å²	127	147.2 Å²	147.2	83%	0.825	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66.4	129.4	178	-14.6	28.4	0	0	0	111
670	I	32	Very low	28.1	Very low	165 Å²	165	148.7 Å²	148.7	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.4	121.4	167.9	-63.1	171.4	0	0	0	106	R668	R668-I670 PolarHBondContact O-N 3.44Å
671	G	25.8	Very low	29	Very low	53 Å²	53	152.4 Å²	152.4	55%	0.546	84%	0.838	S	S	.	*	P	Polyproline II helix	trans	-60.7	164.8	179.2	0	0	0	0	0	113.8
672	P	27.6	Very low	29	Very low	132 Å²	132	154.9 Å²	154.9	86%	0.857	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-68.1	133.6	-165.6	-12.7	27.3	0	0	0	112.4
673	V	32.3	Very low	28.9	Very low	125 Å²	125	157.2 Å²	157.2	76%	0.758	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.4	127.9	169.1	178.6	0	0	0	0	108	N675	V673-N675 PolarHBondContact O-N 3.34Å
674	P	29	Very low	29	Very low	119 Å²	119	155.2 Å²	155.2	77%	0.773	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-65.5	128.2	-179.2	-18	30	0	0	0	111.7	A676	P674-A676 PolarHBondContact O-N 3.36Å
675	N	28.7	Very low	29	Very low	162 Å²	162	153.6 Å²	153.6	87%	0.866	85%	0.845	S	S	*	*			trans	-66.9	111.2	169	-83.2	-26.8	0	0	0	109.4	V673 K677	V673-N675 PolarHBondContact O-N 3.34Å; N675-K677 PolarHBondContact O-N 3.25Å; N675-K677 VanDerWaalsContact O-N 3.11Å
676	A	28.8	Very low	29	Very low	99 Å²	99	150.8 Å²	150.8	82%	0.818	84%	0.844	S	S	*	*			trans	-70.6	100.6	167.1	0	0	0	0	0	109.1	P674	P674-A676 PolarHBondContact O-N 3.36Å
677	K	24.4	Very low	29	Very low	191 Å²	191	148 Å²	148	83%	0.83	84%	0.84	S	S	*	*			trans	-83.7	131.5	159	-99.5	-177.7	176.5	-178.4	0	107.9	N675 T679	N675-K677 PolarHBondContact O-N 3.25Å; N675-K677 VanDerWaalsContact O-N 3.11Å; K677-T679 PolarHBondContact O-N 2.76Å
678	P	29.3	Very low	29	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	84%	0.838	S	S	*	*			trans	-75.2	113.5	175.1	23.9	-20.7	0	0	0	109.4
679	T	27.2	Very low	29.1	Very low	145 Å²	145	137.4 Å²	137.4	89%	0.89	84%	0.835	S	S	*	*			trans	-91.5	113.9	160.5	23.6	0	0	0	0	108.4	K677	K677-T679 PolarHBondContact O-N 2.76Å
680	L	24.1	Very low	29.3	Very low	155 Å²	155	138.3 Å²	138.3	81%	0.812	84%	0.836	S	S	*	*			trans	-69.2	165.8	165.1	-85.2	123.8	0	0	0	111
681	P	42.4	Very low	29	Very low	192 Å²	192	135.8 Å²	135.8	100%	1.247	84%	0.835	S	S	*	*			cis	-110.6	0	2.8	32.6	-17.5	0	0	0	115.1

Retrieved 681 of 681 residues in 512.5 ms (Link to these results)

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