A0A077YZE7_TRITR Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A077YZE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 521 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	33.8	Very low	34.7	Very low	237 Å²	237	163.5 Å²	163.5	100%	1.167	82%	0.824	S	S	*	*				0	109.4	0	-82.3	176.5	173	0	0	107.5
2	T	35.9	Very low	34.2	Very low	143 Å²	143	163.9 Å²	163.9	88%	0.877	82%	0.821	S	S	*	*			trans	-166.3	87.3	135.7	37.5	0	0	0	0	104.1
3	D	31.2	Very low	34.5	Very low	146 Å²	146	164.5 Å²	164.5	78%	0.781	83%	0.828	S	S	*	*			trans	-52.5	139.8	144	-71.1	-49.3	0	0	0	107.8
4	D	36	Very low	34.4	Very low	136 Å²	136	159.8 Å²	159.8	73%	0.727	82%	0.819	S	S	*	*				179.3	146.1	117.7	-103	-33.9	0	0	0	113.4
5	H	39.2	Very low	34.6	Very low	147 Å²	147	161.4 Å²	161.4	68%	0.681	82%	0.818	S	S	*	*			trans	91.3	62.8	161.8	-52.2	-38.1	0	0	0	118.1	K7	H5-K7 PolarHBondContact O-N 2.73Å
6	Q	34.4	Very low	35.1	Very low	190 Å²	190	158.4 Å²	158.4	89%	0.888	81%	0.805	S	S	*	*				-54.9	103.3	127.9	-87.8	164.4	-54.5	0	0	108.8
7	K	37	Very low	35.6	Very low	181 Å²	181	159.2 Å²	159.2	79%	0.787	80%	0.804	S	S	*	*			trans	-90.2	96.1	159.3	-84.2	-176.6	176	178.1	0	107.4	H5 L9	H5-K7 PolarHBondContact O-N 2.73Å; K7-L9 PolarHBondContact O-N 2.71Å
8	E	31.5	Very low	36.3	Very low	168 Å²	168	153.5 Å²	153.5	79%	0.785	78%	0.782	S	S	*	*			trans	-55.5	109.6	158.9	-73.7	171.5	148.8	0	0	107.8	D10	E8-D10 PolarHBondContact O-N 3.06Å
9	L	36.7	Very low	37	Very low	155 Å²	155	148.5 Å²	148.5	81%	0.812	76%	0.757	S	S	*	*			trans	-89.2	89.6	165	-82.4	164	0	0	0	106.8	K7 L11	K7-L9 PolarHBondContact O-N 2.71Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.17Å
10	D	30.4	Very low	38	Very low	131 Å²	131	149.5 Å²	149.5	70%	0.701	76%	0.759	S	S	*	*			trans	-57	94.4	159.9	-77.2	-36.4	0	0	0	109.1	E8 Q12	E8-D10 PolarHBondContact O-N 3.06Å; D10-Q12 PolarHBondContact O-N 3.32Å
11	L	36	Very low	39.1	Very low	165 Å²	165	145.3 Å²	145.3	86%	0.864	74%	0.743	S	S	*	*			trans	-95.8	83.1	160.2	-78.2	165.1	0	0	0	107.4	L9	L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.17Å
12	Q	28.9	Very low	41.2	Very low	168 Å²	168	139.9 Å²	139.9	79%	0.785	71%	0.709	S	S	*	*			trans	-56.4	130.2	164.7	-86.6	164.5	-39.2	0	0	110.7	D10 S14	D10-Q12 PolarHBondContact O-N 3.32Å; Q12-S14 PolarHBondContact O-N 3.09Å
13	D	37.9	Very low	43.5	Very low	171 Å²	171	136.4 Å²	136.4	91%	0.914	68%	0.682	S	S	*	*			trans	2.5	105.2	155.8	-80.4	-36.6	0	0	0	115.8
14	S	33.1	Very low	46.2	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	65%	0.645	S	S	*	*			trans	-138.3	115.8	156.2	69.3	0	0	0	0	110.8	Q12	Q12-S14 PolarHBondContact O-N 3.09Å
15	F	37.2	Very low	48.7	Very low	184 Å²	184	126.9 Å²	126.9	81%	0.807	63%	0.634	S	S	*	*			trans	72.6	85.7	166.5	-62.4	-81.8	0	0	0	117	Q17	F15-Q17 PolarHBondContact O-N 2.87Å
16	D	42.1	Very low	51.1	Low	113 Å²	113	122.3 Å²	122.3	60%	0.604	61%	0.614	S	S	*	*			trans	-62.6	57.6	164.1	-148	8.3	0	0	0	112.4	S18	D16-S18 PolarHBondContact O-N 3.1Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 PolarHBondContact OD1-OG 3.42Å
17	Q	43.6	Very low	53.6	Low	172 Å²	172	115.1 Å²	115.1	80%	0.804	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-66.4	0.3	162.9	-77	-176.1	6.1	0	0	111.6	F15 N19	F15-Q17 PolarHBondContact O-N 2.87Å; Q17-N19 PolarHBondContact O-N 3.3Å
18	S	48.8	Very low	56.1	Low	57 Å²	57	113.9 Å²	113.9	40%	0.399	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-72.4	-4.5	-178.2	86.2	0	0	0	0	115	D16 E20	D16-S18 PolarHBondContact O-N 3.1Å; D16-S18 VanDerWaalsContact O-N 3.16Å; D16-S18 PolarHBondContact OD1-OG 3.42Å; S18-E20 PolarHBondContact O-N 2.89Å
19	N	49.8	Very low	58.7	Low	58 Å²	58	110 Å²	110	31%	0.31	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-76.1	-14.1	-173.3	-92.3	-41.3	0	0	0	114.8	Q17 C21 R22 F23	Q17-N19 PolarHBondContact O-N 3.3Å; N19-C21 PolarHBondContact O-N 2.78Å; N19-C21 VanDerWaalsContact O-N 3.16Å; N19-R22 PolarHBondContact O-N 3.36Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.31Å; N19-F23 HydrophobicContact CB-CE2 4.28Å; N19-F23 WeakPolarHBondContact O-CD2 3.31Å; N19-F23 WeakPolarHBondContact O-CE2 3.31Å
20	E	56.2	Low	61.1	Low	169 Å²	169	107.9 Å²	107.9	79%	0.79	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-60.1	-28.5	-178.9	-69.9	-171	168.4	0	0	113.5	S18 R22	S18-E20 PolarHBondContact O-N 2.89Å; E20-R22 PolarHBondContact O-N 2.84Å
21	C	62.1	Low	63.9	Low	62 Å²	62	103.5 Å²	103.5	42%	0.419	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-72	-8.7	179	-71.5	0	0	0	0	114.8	N19	N19-C21 PolarHBondContact O-N 2.78Å; N19-C21 VanDerWaalsContact O-N 3.16Å
22	R	77.3	Confident	66.3	Low	122 Å²	122	98.7 Å²	98.7	46%	0.46	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-94.3	-5.4	-177.2	-66.5	-176.2	176.4	161.5	-5	114.1	N19 E20 Q30 Y31	N19-R22 PolarHBondContact O-N 3.36Å; N19-R22 VanDerWaalsContact O-N 3.1Å; N19-R22 PolarHBondContact OD1-NH1 3.31Å; E20-R22 PolarHBondContact O-N 2.84Å; R22-Q30 HydrophobicContact CB-CG 4.38Å; R22-Q30 CarbonylContact O-C 3.41Å; R22-Q30 WeakPolarHBondContact O-CA 3.29Å; R22-Y31 VanDerWaalsContact C-CD2 3.49Å; R22-Y31 VanDerWaalsContact O-CD2 3.23Å; R22-Y31 WeakPolarHBondContact O-CD2 3.49Å; R22-Y31 PolarHBondContact O-N 3.5Å
23	F	84.6	Confident	68.9	Low	71 Å²	71	94.7 Å²	94.7	31%	0.311	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-116	149.4	-174	-57	-89	0	0	0	111.9	N19 T25 F28 E29 Q30 Y31	N19-F23 HydrophobicContact CB-CE2 4.28Å; N19-F23 WeakPolarHBondContact O-CD2 3.31Å; N19-F23 WeakPolarHBondContact O-CE2 3.31Å; F23-T25 PolarHBondContact O-N 3.16Å; F23-F28 VanDerWaalsContact CD1-O 3.31Å; F23-F28 WeakPolarHBondContact CD1-O 3.35Å; F23-E29 CarbonylContact C-O 3.59Å; F23-E29 WeakPolarHBondContact CA-O 3.33Å; F23-Q30 HydrophobicContact CD1-CB 3.92Å; F23-Q30 HydrophobicContact CE1-CB 3.76Å; F23-Q30 HydrophobicContact CE1-CG 4.32Å; F23-Y31 WeakPolarHBondContact O-CE2 3.03Å; F23-Y31 PolarHBondContact O-OH 2.85Å
24	C	87.8	Confident	71	Confident	0 Å²	0	89.8 Å²	89.8	0%	0	47%	0.469	C	S	.	.			trans	-71.7	124.8	167.2	176.4	0	0	0	0	109.5	I26 C27 F28 E29 Y31 C49	C24-I26 PolarHBondContact O-N 3.05Å; C24-I26 VanDerWaalsContact O-N 3.08Å; C24-C27 VanDerWaalsContact CB-SG 3.56Å; C24-F28 WeakPolarHBondContact O-CA 3.14Å; C24-F28 PolarHBondContact O-N 3.16Å; C24-E29 PolarHBondContact N-O 3.2Å; C24-Y31 HydrophobicContact CB-CE1 4.07Å; C24-C49 HydrophobicContact CB-CB 3.88Å; C24-C49 PolarHBondContact SG-N 3.45Å
25	T	88.7	Confident	73.5	Confident	82 Å²	82	87 Å²	87	50%	0.503	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.5	-179	53.3	0	0	0	0	114.7	F23 F48	F23-T25 PolarHBondContact O-N 3.16Å; T25-F48 WeakPolarHBondContact OG1-CD1 3.3Å; T25-F48 VanDerWaalsContact OG1-CE1 3.27Å; T25-F48 WeakPolarHBondContact OG1-CE1 3.21Å
26	I	88.4	Confident	75.9	Confident	50 Å²	50	79.4 Å²	79.4	26%	0.256	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-48.9	178	-59.4	164.4	0	0	0	111.3	C24 F48 C52 P68	C24-I26 PolarHBondContact O-N 3.05Å; C24-I26 VanDerWaalsContact O-N 3.08Å; I26-F48 HydrophobicContact CD1-CB 4.03Å; I26-F48 HydrophobicContact CD1-CD1 3.47Å; I26-F48 VanDerWaalsContact CD1-CD1 3.47Å; I26-F48 HydrophobicContact CD1-CE1 4.07Å; I26-F48 HydrophobicContact CD1-CG 3.85Å; I26-F48 HydrophobicContact CG1-CD1 3.68Å; I26-F48 HydrophobicContact CG1-CE1 4.09Å; I26-C52 HydrophobicContact CB-CB 4.08Å; I26-C52 HydrophobicContact CD1-CB 3.73Å; I26-C52 HydrophobicContact CG2-CB 4.1Å; I26-P68 HydrophobicContact CD1-CB 4.5Å; I26-P68 HydrophobicContact CD1-CG 3.89Å; I26-P68 HydrophobicContact CG1-CG 4.46Å
27	C	88.6	Confident	78.2	Confident	39 Å²	39	74.5 Å²	74.5	26%	0.264	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-8	-178.4	58.9	0	0	0	0	113.9	C24 E29 Q37	C24-C27 VanDerWaalsContact CB-SG 3.56Å; C27-E29 HydrophobicContact CB-CG 4.44Å; C27-E29 PolarHBondContact O-N 3.1Å; C27-E29 VanDerWaalsContact O-N 3.09Å; C27-Q37 PolarHBondContact SG-NE2 2.73Å
28	F	88.3	Confident	80.5	Confident	156 Å²	156	69.4 Å²	69.4	68%	0.684	38%	0.376	S	S	*	.			trans	57.7	16.7	-175.5	-53.7	-84.2	0	0	0	114.4	F23 C24	F23-F28 VanDerWaalsContact CD1-O 3.31Å; F23-F28 WeakPolarHBondContact CD1-O 3.35Å; C24-F28 WeakPolarHBondContact O-CA 3.14Å; C24-F28 PolarHBondContact O-N 3.16Å
29	E	86.9	Confident	82.5	Confident	86 Å²	86	66.9 Å²	66.9	40%	0.402	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-85.7	148.5	172.8	-69.5	178.6	-130.8	0	0	111.3	F23 C24 C27 Q37 R51	F23-E29 CarbonylContact C-O 3.59Å; F23-E29 WeakPolarHBondContact CA-O 3.33Å; C24-E29 PolarHBondContact N-O 3.2Å; C27-E29 HydrophobicContact CB-CG 4.44Å; C27-E29 PolarHBondContact O-N 3.1Å; C27-E29 VanDerWaalsContact O-N 3.09Å; E29-Q37 VanDerWaalsContact CB-NE2 3.35Å; E29-Q37 PolarHBondContact OE1-NE2 3.46Å; E29-Q37 WeakPolarHBondContact OE2-CG 3.37Å; E29-Q37 PolarHBondContact OE2-NE2 2.61Å; E29-R51 IonicContact OE1-NH2 2.73Å; E29-R51 PolarHBondContact OE1-NH2 3.31Å; E29-R51 IonicContact OE2-CZ 3.8Å; E29-R51 IonicContact OE2-NH2 4Å; E29-R51 PolarHBondContact OE2-NH2 3.4Å
30	Q	86.8	Confident	84.6	Confident	111 Å²	111	64.1 Å²	64.1	52%	0.519	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-69.1	141.4	179.9	-169.3	179.5	-6.8	0	0	111.2	R22 F23	R22-Q30 HydrophobicContact CB-CG 4.38Å; R22-Q30 CarbonylContact O-C 3.41Å; R22-Q30 WeakPolarHBondContact O-CA 3.29Å; F23-Q30 HydrophobicContact CD1-CB 3.92Å; F23-Q30 HydrophobicContact CE1-CB 3.76Å; F23-Q30 HydrophobicContact CE1-CG 4.32Å
31	Y	88	Confident	86.4	Confident	38 Å²	38	57.1 Å²	57.1	15%	0.149	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.3	135.8	171.4	-67.2	-58	0	0	0	111.7	R22 F23 C24 Q37 P39 F48 C49	R22-Y31 VanDerWaalsContact C-CD2 3.49Å; R22-Y31 VanDerWaalsContact O-CD2 3.23Å; R22-Y31 WeakPolarHBondContact O-CD2 3.49Å; R22-Y31 PolarHBondContact O-N 3.5Å; F23-Y31 WeakPolarHBondContact O-CE2 3.03Å; F23-Y31 PolarHBondContact O-OH 2.85Å; C24-Y31 HydrophobicContact CB-CE1 4.07Å; Y31-Q37 WeakPolarHBondContact CA-O 3.28Å; Y31-P39 HydrophobicContact CD1-CB 3.73Å; Y31-P39 HydrophobicContact CD1-CG 4.37Å; Y31-P39 HydrophobicContact CD2-CB 4.44Å; Y31-P39 HydrophobicContact CE1-CB 3.88Å; Y31-P39 HydrophobicContact CG-CB 4.03Å; Y31-P39 HydrophobicContact CG-CG 4.42Å; Y31-F48 WeakPolarHBondContact OH-CA 3.35Å; Y31-C49 HydrophobicContact CD1-CB 4.25Å; Y31-C49 HydrophobicContact CE1-CB 3.97Å
32	V	86.3	Confident	87.9	Confident	64 Å²	64	54.4 Å²	54.4	39%	0.388	29%	0.294	S	S	.	.			trans	-120.8	157.5	176	-58.2	0	0	0	0	110.7	A34 Q37 R38	V32-A34 WeakPolarHBondContact CG2-O 3.45Å; V32-Q37 HydrophobicContact CB-CB 4.44Å; V32-Q37 HydrophobicContact CG1-CB 4.39Å; V32-Q37 HydrophobicContact CG2-CB 3.39Å; V32-Q37 PolarHBondContact N-O 2.97Å; V32-R38 WeakPolarHBondContact O-CA 3.42Å; V32-R38 VanDerWaalsContact O-CG 3.31Å; V32-R38 WeakPolarHBondContact O-CG 3.32Å
33	T	83.7	Confident	88.7	Confident	85 Å²	85	52 Å²	52	52%	0.521	29%	0.294	S	S	.	.	S	Bend	trans	-77.3	-19.1	178.7	46.9	0	0	0	0	113.5	R38	T33-R38 PolarHBondContact O-NE 2.74Å
34	A	83.2	Confident	89.2	Confident	68 Å²	68	50 Å²	50	56%	0.562	29%	0.288	S	S	*	.	S	Bend	trans	-132.7	141.4	-176	0	0	0	0	0	112.9	V32	V32-A34 WeakPolarHBondContact CG2-O 3.45Å
35	G	86.1	Confident	89.4	Confident	39 Å²	39	52.5 Å²	52.5	40%	0.402	31%	0.314	S	S	.	.	S	Bend	trans	89.9	-164.5	-178.4	0	0	0	0	0	114.6	Q37 R38	G35-Q37 VanDerWaalsContact C-N 3.32Å; G35-Q37 PolarHBondContact O-N 3.39Å; G35-R38 VanDerWaalsContact N-NH2 3.16Å; G35-R38 WeakPolarHBondContact O-CD 3.23Å; G35-R38 VanDerWaalsContact O-CG 3.29Å; G35-R38 WeakPolarHBondContact O-CG 3.29Å; G35-R38 PolarHBondContact O-NE 3.28Å; G35-R38 VanDerWaalsContact O-NE 3.17Å
36	G	87.2	Confident	89.6	Confident	25 Å²	25	51.7 Å²	51.7	26%	0.258	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.7	-175.6	0	0	0	0	0	114.9	R38 L50 R51	G36-R38 PolarHBondContact O-N 3.39Å; G36-L50 PolarHBondContact O-N 3.18Å; G36-R51 VanDerWaalsContact O-CB 3.3Å; G36-R51 WeakPolarHBondContact O-CB 3.06Å; G36-R51 PolarHBondContact O-N 3.18Å
37	Q	90.1	Very high	89.7	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.051	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	15.6	178	-81.6	-65.8	0.1	0	0	113.4	C27 E29 Y31 V32 G35 C49	C27-Q37 PolarHBondContact SG-NE2 2.73Å; E29-Q37 VanDerWaalsContact CB-NE2 3.35Å; E29-Q37 PolarHBondContact OE1-NE2 3.46Å; E29-Q37 WeakPolarHBondContact OE2-CG 3.37Å; E29-Q37 PolarHBondContact OE2-NE2 2.61Å; Y31-Q37 WeakPolarHBondContact CA-O 3.28Å; V32-Q37 HydrophobicContact CB-CB 4.44Å; V32-Q37 HydrophobicContact CG1-CB 4.39Å; V32-Q37 HydrophobicContact CG2-CB 3.39Å; V32-Q37 PolarHBondContact N-O 2.97Å; G35-Q37 VanDerWaalsContact C-N 3.32Å; G35-Q37 PolarHBondContact O-N 3.39Å; Q37-C49 PolarHBondContact OE1-SG 2.99Å
38	R	91	Very high	89.9	Confident	65 Å²	65	50.4 Å²	50.4	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-70.2	144.4	174.6	-69.8	173.1	-150.5	161.5	0.5	111.7	V32 T33 G35 G36 C49 L50 T81	V32-R38 WeakPolarHBondContact O-CA 3.42Å; V32-R38 VanDerWaalsContact O-CG 3.31Å; V32-R38 WeakPolarHBondContact O-CG 3.32Å; T33-R38 PolarHBondContact O-NE 2.74Å; G35-R38 VanDerWaalsContact N-NH2 3.16Å; G35-R38 WeakPolarHBondContact O-CD 3.23Å; G35-R38 VanDerWaalsContact O-CG 3.29Å; G35-R38 WeakPolarHBondContact O-CG 3.29Å; G35-R38 PolarHBondContact O-NE 3.28Å; G35-R38 VanDerWaalsContact O-NE 3.17Å; G36-R38 PolarHBondContact O-N 3.39Å; R38-C49 CarbonylContact O-C 3.57Å; R38-C49 VanDerWaalsContact O-CA 3.29Å; R38-C49 WeakPolarHBondContact O-CA 3.46Å; R38-L50 PolarHBondContact O-N 3.13Å; R38-T81 HydrophobicContact CB-CG2 4.41Å
39	P	92.4	Very high	90.1	Very high	4 Å²	4	43 Å²	43	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	137.6	174.5	27.1	-30.9	0	0	0	110.5	Y31 L47 F48 H82 V84 I87	Y31-P39 HydrophobicContact CD1-CB 3.73Å; Y31-P39 HydrophobicContact CD1-CG 4.37Å; Y31-P39 HydrophobicContact CD2-CB 4.44Å; Y31-P39 HydrophobicContact CE1-CB 3.88Å; Y31-P39 HydrophobicContact CG-CB 4.03Å; Y31-P39 HydrophobicContact CG-CG 4.42Å; P39-L47 HydrophobicContact CB-CD2 4.32Å; P39-F48 CarbonylContact C-O 3.52Å; P39-H82 HydrophobicContact CG-CB 4.27Å; P39-H82 PolarHBondContact O-N 3.5Å; P39-V84 HydrophobicContact CG-CG2 3.92Å; P39-I87 HydrophobicContact CB-CD1 3.85Å; P39-I87 HydrophobicContact CG-CD1 3.99Å
40	A	93.4	Very high	90.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.7	178.7	0	0	0	0	0	109.7	F48 L50 L53 I79 R80 T81	A40-F48 PolarHBondContact N-O 3.09Å; A40-F48 PolarHBondContact O-N 3.1Å; A40-F48 VanDerWaalsContact O-O 3.05Å; A40-L50 HydrophobicContact CB-CB 4.33Å; A40-L53 HydrophobicContact CB-CD1 3.84Å; A40-I79 HydrophobicContact CB-CG2 3.91Å; A40-R80 CarbonylContact C-O 3.48Å; A40-R80 WeakPolarHBondContact CA-O 3.11Å; A40-T81 HydrophobicContact CB-CG2 3.99Å
41	C	93.7	Very high	90.7	Very high	21 Å²	21	39.7 Å²	39.7	14%	0.142	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151.1	177.9	75.6	0	0	0	0	112	H46 L47 R80 H82	C41-H46 WeakPolarHBondContact CA-O 3.36Å; C41-L47 HydrophobicContact CB-CD2 4.03Å; C41-L47 HydrophobicContact CB-CG 4.33Å; C41-R80 PolarHBondContact N-O 2.92Å; C41-R80 PolarHBondContact O-N 3.27Å; C41-H82 PolarHBondContact SG-NE2 2.74Å
42	L	94.4	Very high	91	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	24%	0.241	C	C	.	.			trans	-91.7	165.2	168.2	-64.7	-178.5	0	0	0	110.6	C44 G45 H46 F48 L53 C67 F74 I79	L42-C44 PolarHBondContact O-N 3.08Å; L42-G45 PolarHBondContact O-N 3.36Å; L42-H46 PolarHBondContact N-O 3.46Å; L42-F48 HydrophobicContact CD1-CD2 4.37Å; L42-F48 HydrophobicContact CD1-CE2 3.93Å; L42-F48 HydrophobicContact CG-CE2 4.43Å; L42-L53 HydrophobicContact CD1-CD2 4.27Å; L42-L53 HydrophobicContact CD2-CD1 3.97Å; L42-L53 HydrophobicContact CD2-CD2 4.03Å; L42-L53 HydrophobicContact CG-CD1 4.35Å; L42-L53 HydrophobicContact CG-CD2 4.26Å; L42-C67 HydrophobicContact CD1-CB 3.69Å; L42-F74 HydrophobicContact CD1-CD1 3.87Å; L42-F74 HydrophobicContact CD1-CE1 3.88Å; L42-F74 HydrophobicContact CD1-CG 4.39Å; L42-F74 HydrophobicContact CD1-CZ 4.43Å; L42-F74 HydrophobicContact CD2-CB 4.36Å; L42-F74 HydrophobicContact CD2-CD1 4Å; L42-F74 HydrophobicContact CD2-CD2 3.59Å; L42-F74 HydrophobicContact CD2-CE1 4.1Å; L42-F74 HydrophobicContact CD2-CE2 3.73Å; L42-F74 HydrophobicContact CD2-CG 3.73Å; L42-F74 HydrophobicContact CD2-CZ 3.98Å; L42-I79 HydrophobicContact CD2-CG1 4.08Å
43	P	92.8	Very high	91.3	Very high	72 Å²	72	35.4 Å²	35.4	47%	0.468	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.8	173.9	-27.1	36.2	0	0	0	115.4	D78	P43-D78 HydrophobicContact CG-CB 3.57Å
44	C	95.1	Very high	91.6	Very high	28 Å²	28	34.6 Å²	34.6	19%	0.189	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.5	173.5	62	0	0	0	0	114.1	L42 H46 C70 R72	L42-C44 PolarHBondContact O-N 3.08Å; C44-H46 PolarHBondContact SG-ND1 3.27Å; C44-C70 VanDerWaalsContact CB-SG 3.6Å; C44-R72 HydrophobicContact CB-CB 4.13Å
45	G	92.3	Very high	91.9	Very high	53 Å²	53	35.3 Å²	35.3	55%	0.546	21%	0.206	S	C	.	.	S	Bend	trans	90	-15.9	-178.3	0	0	0	0	0	115.4	L42	L42-G45 PolarHBondContact O-N 3.36Å
46	H	92.8	Very high	92.1	Very high	65 Å²	65	38.2 Å²	38.2	30%	0.301	21%	0.205	S	C	.	.			trans	-67.8	142	178.6	-65.7	98.5	0	0	0	112.3	C41 L42 C44 F48 T69	C41-H46 WeakPolarHBondContact CA-O 3.36Å; L42-H46 PolarHBondContact N-O 3.46Å; C44-H46 PolarHBondContact SG-ND1 3.27Å; H46-F48 HydrophobicContact CB-CE2 3.76Å; H46-F48 HydrophobicContact CB-CZ 4.08Å; H46-T69 WeakPolarHBondContact NE2-CG2 3.43Å
47	L	91.7	Very high	92	Very high	62 Å²	62	37.9 Å²	37.9	33%	0.325	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.3	-173.5	-80.7	152.2	0	0	0	111.6	P39 C41 I87	P39-L47 HydrophobicContact CB-CD2 4.32Å; C41-L47 HydrophobicContact CB-CD2 4.03Å; C41-L47 HydrophobicContact CB-CG 4.33Å; L47-I87 HydrophobicContact CD1-CD1 4.34Å; L47-I87 HydrophobicContact CD2-CD1 4.06Å
48	F	92.7	Very high	91.6	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	175.1	175	-51.2	-83.8	0	0	0	109.3	T25 I26 Y31 P39 A40 L42 H46 L53 P68 T69	T25-F48 WeakPolarHBondContact OG1-CD1 3.3Å; T25-F48 VanDerWaalsContact OG1-CE1 3.27Å; T25-F48 WeakPolarHBondContact OG1-CE1 3.21Å; I26-F48 HydrophobicContact CD1-CB 4.03Å; I26-F48 HydrophobicContact CD1-CD1 3.47Å; I26-F48 VanDerWaalsContact CD1-CD1 3.47Å; I26-F48 HydrophobicContact CD1-CE1 4.07Å; I26-F48 HydrophobicContact CD1-CG 3.85Å; I26-F48 HydrophobicContact CG1-CD1 3.68Å; I26-F48 HydrophobicContact CG1-CE1 4.09Å; Y31-F48 WeakPolarHBondContact OH-CA 3.35Å; P39-F48 CarbonylContact C-O 3.52Å; A40-F48 PolarHBondContact N-O 3.09Å; A40-F48 PolarHBondContact O-N 3.1Å; A40-F48 VanDerWaalsContact O-O 3.05Å; L42-F48 HydrophobicContact CD1-CD2 4.37Å; L42-F48 HydrophobicContact CD1-CE2 3.93Å; L42-F48 HydrophobicContact CG-CE2 4.43Å; H46-F48 HydrophobicContact CB-CE2 3.76Å; H46-F48 HydrophobicContact CB-CZ 4.08Å; F48-L53 HydrophobicContact CB-CD1 4.26Å; F48-L53 HydrophobicContact CB-CD2 4.05Å; F48-L53 HydrophobicContact CB-CG 3.92Å; F48-L53 HydrophobicContact CD2-CD1 4.38Å; F48-L53 HydrophobicContact CD2-CD2 3.7Å; F48-L53 HydrophobicContact CD2-CG 4.32Å; F48-L53 HydrophobicContact CE2-CD2 4.46Å; F48-L53 HydrophobicContact CG-CD2 4.09Å; F48-L53 HydrophobicContact CG-CG 4.49Å; F48-P68 HydrophobicContact CE1-CB 3.93Å; F48-P68 HydrophobicContact CE1-CG 4.06Å; F48-P68 HydrophobicContact CE2-CG 4.3Å; F48-P68 HydrophobicContact CZ-CB 3.86Å; F48-P68 HydrophobicContact CZ-CG 3.86Å; F48-T69 VanDerWaalsContact CZ-OG1 3.27Å; F48-T69 WeakPolarHBondContact CZ-OG1 3.33Å
49	C	91.9	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	148.1	172.3	75.4	0	0	0	0	111.8	C24 Y31 Q37 R38 R51 C52 L53	C24-C49 HydrophobicContact CB-CB 3.88Å; C24-C49 PolarHBondContact SG-N 3.45Å; Y31-C49 HydrophobicContact CD1-CB 4.25Å; Y31-C49 HydrophobicContact CE1-CB 3.97Å; Q37-C49 PolarHBondContact OE1-SG 2.99Å; R38-C49 CarbonylContact O-C 3.57Å; R38-C49 VanDerWaalsContact O-CA 3.29Å; R38-C49 WeakPolarHBondContact O-CA 3.46Å; C49-R51 VanDerWaalsContact C-N 3.3Å; C49-R51 PolarHBondContact O-N 3.19Å; C49-C52 PolarHBondContact O-N 2.84Å; C49-C52 VanDerWaalsContact SG-CB 3.57Å; C49-C52 PolarHBondContact SG-N 3.47Å; C49-C52 PolarHBondContact SG-SG 3.42Å; C49-L53 PolarHBondContact O-N 2.74Å; C49-L53 VanDerWaalsContact O-N 3.09Å
50	L	93.9	Very high	89.9	Confident	32 Å²	32	51.7 Å²	51.7	17%	0.168	27%	0.267	C	S	.	.	H	α-helix	trans	-53.3	-47.6	-179	173.7	63.2	0	0	0	111.3	G36 R38 A40 C52 L53 E54 I79 T81	G36-L50 PolarHBondContact O-N 3.18Å; R38-L50 PolarHBondContact O-N 3.13Å; A40-L50 HydrophobicContact CB-CB 4.33Å; L50-C52 VanDerWaalsContact C-N 3.34Å; L50-C52 PolarHBondContact O-N 2.79Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L50-E54 HydrophobicContact CD1-CG 3.81Å; L50-E54 HydrophobicContact CG-CG 4.16Å; L50-E54 WeakPolarHBondContact O-CG 3.2Å; L50-E54 PolarHBondContact O-N 3.36Å; L50-I79 HydrophobicContact CD1-CG2 4.26Å; L50-T81 HydrophobicContact CB-CG2 3.84Å; L50-T81 HydrophobicContact CD1-CG2 4Å; L50-T81 HydrophobicContact CD2-CG2 3.76Å; L50-T81 HydrophobicContact CG-CG2 4.06Å
51	R	92.7	Very high	88.5	Confident	95 Å²	95	57.7 Å²	57.7	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-56.3	-46.8	-179.5	179.5	168.8	70.6	-152.8	12.2	111.8	E29 G36 C49 E54 I55	E29-R51 IonicContact OE1-NH2 2.73Å; E29-R51 PolarHBondContact OE1-NH2 3.31Å; E29-R51 IonicContact OE2-CZ 3.8Å; E29-R51 IonicContact OE2-NH2 4Å; E29-R51 PolarHBondContact OE2-NH2 3.4Å; G36-R51 VanDerWaalsContact O-CB 3.3Å; G36-R51 WeakPolarHBondContact O-CB 3.06Å; G36-R51 PolarHBondContact O-N 3.18Å; C49-R51 VanDerWaalsContact C-N 3.3Å; C49-R51 PolarHBondContact O-N 3.19Å; R51-E54 PolarHBondContact O-N 3.35Å; R51-I55 HydrophobicContact CG-CD1 3.85Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.11Å; R51-I55 PolarHBondContact O-N 3.02Å
52	C	93.7	Very high	87.3	Confident	13 Å²	13	60.9 Å²	60.9	9%	0.088	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-42.8	177.4	-75.4	0	0	0	0	111.4	I26 C49 L50 E54 I55 W56	I26-C52 HydrophobicContact CB-CB 4.08Å; I26-C52 HydrophobicContact CD1-CB 3.73Å; I26-C52 HydrophobicContact CG2-CB 4.1Å; C49-C52 PolarHBondContact O-N 2.84Å; C49-C52 VanDerWaalsContact SG-CB 3.57Å; C49-C52 PolarHBondContact SG-N 3.47Å; C49-C52 PolarHBondContact SG-SG 3.42Å; L50-C52 VanDerWaalsContact C-N 3.34Å; L50-C52 PolarHBondContact O-N 2.79Å; C52-E54 VanDerWaalsContact C-N 3.34Å; C52-E54 PolarHBondContact O-N 3.49Å; C52-I55 PolarHBondContact O-N 3.08Å; C52-W56 WeakPolarHBondContact O-CB 3.44Å; C52-W56 PolarHBondContact O-N 3.49Å
53	L	92.7	Very high	86.5	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-35.5	177.5	-69.5	-179.5	0	0	0	112.9	A40 L42 F48 C49 L50 S57 I79	A40-L53 HydrophobicContact CB-CD1 3.84Å; L42-L53 HydrophobicContact CD1-CD2 4.27Å; L42-L53 HydrophobicContact CD2-CD1 3.97Å; L42-L53 HydrophobicContact CD2-CD2 4.03Å; L42-L53 HydrophobicContact CG-CD1 4.35Å; L42-L53 HydrophobicContact CG-CD2 4.26Å; F48-L53 HydrophobicContact CB-CD1 4.26Å; F48-L53 HydrophobicContact CB-CD2 4.05Å; F48-L53 HydrophobicContact CB-CG 3.92Å; F48-L53 HydrophobicContact CD2-CD1 4.38Å; F48-L53 HydrophobicContact CD2-CD2 3.7Å; F48-L53 HydrophobicContact CD2-CG 4.32Å; F48-L53 HydrophobicContact CE2-CD2 4.46Å; F48-L53 HydrophobicContact CG-CD2 4.09Å; F48-L53 HydrophobicContact CG-CG 4.49Å; C49-L53 PolarHBondContact O-N 2.74Å; C49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.4Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.29Å; L53-S57 PolarHBondContact O-N 3.33Å; L53-S57 PolarHBondContact O-OG 2.9Å; L53-I79 HydrophobicContact CB-CD1 4Å; L53-I79 HydrophobicContact CB-CG2 4.45Å; L53-I79 HydrophobicContact CD1-CG2 3.76Å
54	E	90	Very high	86	Confident	67 Å²	67	70.6 Å²	70.6	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-65.9	-49.2	175.8	-71.5	-169.8	123	0	0	111.4	L50 R51 C52 W56 S57 S58 R76	L50-E54 HydrophobicContact CD1-CG 3.81Å; L50-E54 HydrophobicContact CG-CG 4.16Å; L50-E54 WeakPolarHBondContact O-CG 3.2Å; L50-E54 PolarHBondContact O-N 3.36Å; R51-E54 PolarHBondContact O-N 3.35Å; C52-E54 VanDerWaalsContact C-N 3.34Å; C52-E54 PolarHBondContact O-N 3.49Å; E54-W56 PolarHBondContact O-N 3.22Å; E54-S57 PolarHBondContact O-N 3.48Å; E54-S57 PolarHBondContact O-OG 2.83Å; E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 2.84Å; E54-S58 VanDerWaalsContact O-N 3.13Å; E54-S58 PolarHBondContact O-OG 3.29Å; E54-R76 IonicContact OE1-CZ 3.11Å; E54-R76 IonicContact OE1-NH1 3.86Å; E54-R76 IonicContact OE1-NH2 2.74Å; E54-R76 PolarHBondContact OE1-NH2 2.75Å
55	I	89.4	Confident	85.7	Confident	83 Å²	83	70.3 Å²	70.3	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-49.6	175.1	-65.5	166.4	0	0	0	109.7	R51 C52 S57 S58 E59	R51-I55 HydrophobicContact CG-CD1 3.85Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.11Å; R51-I55 PolarHBondContact O-N 3.02Å; C52-I55 PolarHBondContact O-N 3.08Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 3.26Å; I55-S58 WeakPolarHBondContact CA-OG 3.44Å; I55-S58 WeakPolarHBondContact O-CA 3.27Å; I55-S58 PolarHBondContact O-N 2.98Å; I55-S58 PolarHBondContact O-OG 2.88Å; I55-E59 HydrophobicContact CG2-CG 4.31Å; I55-E59 PolarHBondContact O-N 3.16Å
56	W	89.3	Confident	85.6	Confident	100 Å²	100	71.7 Å²	71.7	38%	0.379	37%	0.371	S	S	.	.	H	α-helix	trans	-58.7	-37.3	179.7	-162.9	-95.2	0	0	0	113	C52 E54 S58 L66 P68	C52-W56 WeakPolarHBondContact O-CB 3.44Å; C52-W56 PolarHBondContact O-N 3.49Å; E54-W56 PolarHBondContact O-N 3.22Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 2.84Å; W56-L66 PolarHBondContact NE1-O 2.87Å; W56-P68 HydrophobicContact CD2-CG 4.21Å; W56-P68 HydrophobicContact CZ2-CB 4.25Å; W56-P68 HydrophobicContact CZ2-CG 4.03Å
57	S	85.7	Confident	85.7	Confident	19 Å²	19	68.7 Å²	68.7	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-71.7	-23.2	175.1	75.2	0	0	0	0	113.1	L53 E54 I55	L53-S57 VanDerWaalsContact O-CB 3.29Å; L53-S57 WeakPolarHBondContact O-CB 3.29Å; L53-S57 PolarHBondContact O-N 3.33Å; L53-S57 PolarHBondContact O-OG 2.9Å; E54-S57 PolarHBondContact O-N 3.48Å; E54-S57 PolarHBondContact O-OG 2.83Å; I55-S57 VanDerWaalsContact C-N 3.27Å; I55-S57 PolarHBondContact O-N 3.26Å
58	S	82.6	Confident	85.6	Confident	68 Å²	68	67.8 Å²	67.8	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-95.6	-24	-173.8	72	0	0	0	0	114.8	E54 I55 W56 R60 P61	E54-S58 WeakPolarHBondContact O-CB 3.44Å; E54-S58 PolarHBondContact O-N 2.84Å; E54-S58 VanDerWaalsContact O-N 3.13Å; E54-S58 PolarHBondContact O-OG 3.29Å; I55-S58 WeakPolarHBondContact CA-OG 3.44Å; I55-S58 WeakPolarHBondContact O-CA 3.27Å; I55-S58 PolarHBondContact O-N 2.98Å; I55-S58 PolarHBondContact O-OG 2.88Å; W56-S58 VanDerWaalsContact C-N 3.28Å; W56-S58 PolarHBondContact O-N 2.84Å; S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.08Å; S58-P61 WeakPolarHBondContact O-CD 3.34Å
59	E	78.1	Confident	85.6	Confident	130 Å²	130	71.6 Å²	71.6	61%	0.607	38%	0.379	S	S	*	.	S	Bend	trans	-61.3	-20.4	-175.8	-81.8	-175.2	178.1	0	0	114.5	I55	I55-E59 HydrophobicContact CG2-CG 4.31Å; I55-E59 PolarHBondContact O-N 3.16Å
60	R	69.7	Low	85.7	Confident	172 Å²	172	74.3 Å²	74.3	65%	0.649	40%	0.397	S	S	*	.	S	Bend	trans	-132.8	79.8	177.4	-62.7	-175.6	-175.1	175.2	0.3	111.5	S58 G62 R63	S58-R60 PolarHBondContact O-N 3.35Å; S58-R60 VanDerWaalsContact O-N 3.08Å; R60-G62 PolarHBondContact O-N 3.04Å; R60-R63 HydrophobicContact CB-CB 4.19Å; R60-R63 PolarHBondContact O-N 3.15Å
61	P	64.1	Low	85.6	Confident	125 Å²	125	80.5 Å²	80.5	81%	0.812	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.4	175.4	-19.7	31.1	0	0	0	110.1	S58	S58-P61 WeakPolarHBondContact O-CD 3.34Å
62	G	67.8	Low	85.6	Confident	89 Å²	89	83.2 Å²	83.2	92%	0.918	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-9.1	177.9	0	0	0	0	0	116.6	R60	R60-G62 PolarHBondContact O-N 3.04Å
63	R	77	Confident	85.6	Confident	194 Å²	194	91.7 Å²	91.7	73%	0.732	46%	0.463	S	S	*	.	S	Bend	trans	-98.2	151.1	169.2	-74.6	-153	-176.1	-158.9	4.8	112	R60 S65	R60-R63 HydrophobicContact CB-CB 4.19Å; R60-R63 PolarHBondContact O-N 3.15Å; R63-S65 PolarHBondContact O-N 3.46Å
64	V	82.7	Confident	85.5	Confident	87 Å²	87	92 Å²	92	53%	0.527	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-67.3	125.2	175.4	-176.8	0	0	0	0	109.9	R73	V64-R73 HydrophobicContact CG1-CB 3.7Å; V64-R73 HydrophobicContact CG1-CG 3.69Å
65	S	88.6	Confident	85.5	Confident	22 Å²	22	96 Å²	96	15%	0.154	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.1	177	-46.8	0	0	0	0	111.2	R63 R73 F74	R63-S65 PolarHBondContact O-N 3.46Å; S65-R73 CarbonylContact O-C 3.57Å; S65-R73 WeakPolarHBondContact O-CA 3.17Å; S65-F74 VanDerWaalsContact CB-CZ 3.48Å; S65-F74 PolarHBondContact O-N 3.26Å
66	L	91.3	Very high	85.4	Confident	81 Å²	81	98.6 Å²	98.6	42%	0.424	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.8	-178.3	-57.4	176.3	0	0	0	110.2	W56 K71 R73 F74	W56-L66 PolarHBondContact NE1-O 2.87Å; L66-K71 WeakPolarHBondContact CD2-O 3.33Å; L66-R73 HydrophobicContact CD2-CB 4.47Å; L66-R73 HydrophobicContact CD2-CG 3.68Å; L66-F74 VanDerWaalsContact C-CE1 3.47Å; L66-F74 WeakPolarHBondContact O-CE1 3.48Å
67	C	93.4	Very high	85.4	Confident	2 Å²	2	102.8 Å²	102.8	1%	0.014	50%	0.497	C	S	.	.			trans	-56.5	128.4	175.3	174.9	0	0	0	0	110.7	L42 T69 C70 K71 R72	L42-C67 HydrophobicContact CD1-CB 3.69Å; C67-T69 PolarHBondContact O-N 3.18Å; C67-T69 PolarHBondContact SG-N 2.98Å; C67-T69 VanDerWaalsContact SG-N 3.42Å; C67-C70 PolarHBondContact SG-N 3.18Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C67-K71 WeakPolarHBondContact O-CA 3.27Å; C67-K71 PolarHBondContact O-N 3.13Å; C67-R72 PolarHBondContact N-O 3.02Å
68	P	90.6	Very high	85.7	Confident	44 Å²	44	104.5 Å²	104.5	29%	0.286	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.9	177.4	-26	33.8	0	0	0	114	I26 F48 W56	I26-P68 HydrophobicContact CD1-CB 4.5Å; I26-P68 HydrophobicContact CD1-CG 3.89Å; I26-P68 HydrophobicContact CG1-CG 4.46Å; F48-P68 HydrophobicContact CE1-CB 3.93Å; F48-P68 HydrophobicContact CE1-CG 4.06Å; F48-P68 HydrophobicContact CE2-CG 4.3Å; F48-P68 HydrophobicContact CZ-CB 3.86Å; F48-P68 HydrophobicContact CZ-CG 3.86Å; W56-P68 HydrophobicContact CD2-CG 4.21Å; W56-P68 HydrophobicContact CZ2-CB 4.25Å; W56-P68 HydrophobicContact CZ2-CG 4.03Å
69	T	91.6	Very high	86.2	Confident	81 Å²	81	102.5 Å²	102.5	50%	0.497	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-58.6	-178.3	-48.4	0	0	0	0	112.5	H46 F48 C67	H46-T69 WeakPolarHBondContact NE2-CG2 3.43Å; F48-T69 VanDerWaalsContact CZ-OG1 3.27Å; F48-T69 WeakPolarHBondContact CZ-OG1 3.33Å; C67-T69 PolarHBondContact O-N 3.18Å; C67-T69 PolarHBondContact SG-N 2.98Å; C67-T69 VanDerWaalsContact SG-N 3.42Å
70	C	94.5	Very high	86.9	Confident	56 Å²	56	105.1 Å²	105.1	38%	0.378	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	1.2	-171.2	72.5	0	0	0	0	115.1	C44 C67 R72	C44-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact SG-N 3.18Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C70-R72 PolarHBondContact O-N 3.41Å
71	K	92.1	Very high	88	Confident	162 Å²	162	99.2 Å²	99.2	70%	0.704	48%	0.476	S	S	*	.			trans	61.1	10.3	-179.5	-53.1	177.1	-178.1	175.4	0	115.5	L66 C67	L66-K71 WeakPolarHBondContact CD2-O 3.33Å; C67-K71 WeakPolarHBondContact O-CA 3.27Å; C67-K71 PolarHBondContact O-N 3.13Å
72	R	93.4	Very high	89.2	Confident	152 Å²	152	96.6 Å²	96.6	57%	0.574	45%	0.453	S	S	*	.			trans	-62.6	136.9	173.1	-170.7	175.9	-66.7	176.7	-5.9	110.5	C44 C67 C70	C44-R72 HydrophobicContact CB-CB 4.13Å; C67-R72 PolarHBondContact N-O 3.02Å; C70-R72 PolarHBondContact O-N 3.41Å
73	R	92.2	Very high	90.2	Very high	192 Å²	192	99.6 Å²	99.6	73%	0.725	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.6	176.5	-65.5	175	-178.5	-174	3	111	V64 S65 L66	V64-R73 HydrophobicContact CG1-CB 3.7Å; V64-R73 HydrophobicContact CG1-CG 3.69Å; S65-R73 CarbonylContact O-C 3.57Å; S65-R73 WeakPolarHBondContact O-CA 3.17Å; L66-R73 HydrophobicContact CD2-CB 4.47Å; L66-R73 HydrophobicContact CD2-CG 3.68Å
74	F	91	Very high	90.5	Very high	7 Å²	7	93 Å²	93	3%	0.031	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.9	172.7	73.1	-88.5	0	0	0	111.4	L42 S65 L66 I79	L42-F74 HydrophobicContact CD1-CD1 3.87Å; L42-F74 HydrophobicContact CD1-CE1 3.88Å; L42-F74 HydrophobicContact CD1-CG 4.39Å; L42-F74 HydrophobicContact CD1-CZ 4.43Å; L42-F74 HydrophobicContact CD2-CB 4.36Å; L42-F74 HydrophobicContact CD2-CD1 4Å; L42-F74 HydrophobicContact CD2-CD2 3.59Å; L42-F74 HydrophobicContact CD2-CE1 4.1Å; L42-F74 HydrophobicContact CD2-CE2 3.73Å; L42-F74 HydrophobicContact CD2-CG 3.73Å; L42-F74 HydrophobicContact CD2-CZ 3.98Å; S65-F74 VanDerWaalsContact CB-CZ 3.48Å; S65-F74 PolarHBondContact O-N 3.26Å; L66-F74 VanDerWaalsContact C-CE1 3.47Å; L66-F74 WeakPolarHBondContact O-CE1 3.48Å; F74-I79 HydrophobicContact CD2-CG1 4.19Å; F74-I79 HydrophobicContact CE2-CD1 4.07Å; F74-I79 HydrophobicContact CE2-CG1 4.05Å
75	R	89.6	Confident	90.1	Very high	151 Å²	151	98.1 Å²	98.1	57%	0.57	44%	0.44	S	S	*	.			trans	-106.3	154.3	170.1	-59.2	175.1	163.7	153.6	-6.4	109.9	R77 D78	R75-R77 HydrophobicContact CB-CG 4.12Å; R75-R77 PolarHBondContact O-N 2.89Å; R75-R77 VanDerWaalsContact O-N 3.16Å; R75-D78 VanDerWaalsContact CB-OD2 3.26Å; R75-D78 WeakPolarHBondContact CB-OD2 3.26Å; R75-D78 PolarHBondContact N-OD2 3.42Å; R75-D78 WeakPolarHBondContact O-CB 3.46Å; R75-D78 PolarHBondContact O-N 2.85Å
76	R	88.3	Confident	89.3	Confident	136 Å²	136	100 Å²	100	51%	0.513	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-52.4	-38.5	178.1	-176.5	179	164.4	88.8	10	113.1	E54 D78 I79	E54-R76 IonicContact OE1-CZ 3.11Å; E54-R76 IonicContact OE1-NH1 3.86Å; E54-R76 IonicContact OE1-NH2 2.74Å; E54-R76 PolarHBondContact OE1-NH2 2.75Å; R76-D78 PolarHBondContact O-N 3.01Å; R76-I79 HydrophobicContact CG-CD1 4.38Å; R76-I79 WeakPolarHBondContact O-CG1 3.38Å; R76-I79 PolarHBondContact O-N 3.46Å
77	R	89.6	Confident	88.4	Confident	188 Å²	188	99 Å²	99	71%	0.709	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-68.4	-15	177.2	67	178.6	177.3	-129.3	16	114.9	R75	R75-R77 HydrophobicContact CB-CG 4.12Å; R75-R77 PolarHBondContact O-N 2.89Å; R75-R77 VanDerWaalsContact O-N 3.16Å
78	D	91.2	Very high	87.6	Confident	56 Å²	56	106.5 Å²	106.5	30%	0.299	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-91.8	-4.8	-178.8	-49.4	-35.1	0	0	0	112	P43 R75 R76 R80	P43-D78 HydrophobicContact CG-CB 3.57Å; R75-D78 VanDerWaalsContact CB-OD2 3.26Å; R75-D78 WeakPolarHBondContact CB-OD2 3.26Å; R75-D78 PolarHBondContact N-OD2 3.42Å; R75-D78 WeakPolarHBondContact O-CB 3.46Å; R75-D78 PolarHBondContact O-N 2.85Å; R76-D78 PolarHBondContact O-N 3.01Å; D78-R80 PolarHBondContact O-N 2.85Å
79	I	93.4	Very high	86.7	Confident	25 Å²	25	108.1 Å²	108.1	13%	0.128	51%	0.507	C	S	.	.			trans	-70.5	124.7	175	-59.6	166.9	0	0	0	108.3	A40 L42 L50 L53 F74 R76	A40-I79 HydrophobicContact CB-CG2 3.91Å; L42-I79 HydrophobicContact CD2-CG1 4.08Å; L50-I79 HydrophobicContact CD1-CG2 4.26Å; L53-I79 HydrophobicContact CB-CD1 4Å; L53-I79 HydrophobicContact CB-CG2 4.45Å; L53-I79 HydrophobicContact CD1-CG2 3.76Å; F74-I79 HydrophobicContact CD2-CG1 4.19Å; F74-I79 HydrophobicContact CE2-CD1 4.07Å; F74-I79 HydrophobicContact CE2-CG1 4.05Å; R76-I79 HydrophobicContact CG-CD1 4.38Å; R76-I79 WeakPolarHBondContact O-CG1 3.38Å; R76-I79 PolarHBondContact O-N 3.46Å
80	R	93.9	Very high	86	Confident	186 Å²	186	108.9 Å²	108.9	70%	0.702	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.8	178.1	-64.8	-174.3	178.9	-142.2	0.1	110.8	A40 C41 D78 H82	A40-R80 CarbonylContact C-O 3.48Å; A40-R80 WeakPolarHBondContact CA-O 3.11Å; C41-R80 PolarHBondContact N-O 2.92Å; C41-R80 PolarHBondContact O-N 3.27Å; D78-R80 PolarHBondContact O-N 2.85Å; R80-H82 PolarHBondContact O-CD2 2.58Å
81	T	92.3	Very high	85.2	Confident	48 Å²	48	112.5 Å²	112.5	29%	0.294	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.3	170.7	19.1	0	0	0	0	112.1	R38 A40 L50	R38-T81 HydrophobicContact CB-CG2 4.41Å; A40-T81 HydrophobicContact CB-CG2 3.99Å; L50-T81 HydrophobicContact CB-CG2 3.84Å; L50-T81 HydrophobicContact CD1-CG2 4Å; L50-T81 HydrophobicContact CD2-CG2 3.76Å; L50-T81 HydrophobicContact CG-CG2 4.06Å
82	H	89.7	Confident	84.9	Confident	70 Å²	70	108.6 Å²	108.6	32%	0.324	51%	0.514	S	S	.	.			trans	-102.9	131.6	173.6	-68.1	-88.6	0	0	0	110.4	P39 C41 R80 V84	P39-H82 HydrophobicContact CG-CB 4.27Å; P39-H82 PolarHBondContact O-N 3.5Å; C41-H82 PolarHBondContact SG-NE2 2.74Å; R80-H82 PolarHBondContact O-CD2 2.58Å; H82-V84 HydrophobicContact CB-CG1 4.36Å; H82-V84 HydrophobicContact CB-CG2 4.17Å
83	F	88.1	Confident	84.5	Confident	152 Å²	152	104.6 Å²	104.6	67%	0.667	51%	0.509	S	S	*	.			trans	-102.2	76.6	176	-62.8	-90.8	0	0	0	108.7
84	V	82.2	Confident	84.3	Confident	54 Å²	54	103.5 Å²	103.5	33%	0.327	51%	0.512	S	S	.	.			trans	-125.9	145.2	-174.6	-65.4	0	0	0	0	110.1	P39 H82 G86 I87	P39-V84 HydrophobicContact CG-CG2 3.92Å; H82-V84 HydrophobicContact CB-CG1 4.36Å; H82-V84 HydrophobicContact CB-CG2 4.17Å; V84-G86 VanDerWaalsContact C-N 3.28Å; V84-I87 HydrophobicContact CG2-CD1 3.87Å; V84-I87 HydrophobicContact CG2-CG1 3.54Å
85	Q	74.5	Confident	84.3	Confident	196 Å²	196	108.1 Å²	108.1	92%	0.916	54%	0.537	S	S	*	.	S	Bend	trans	-73.2	-22.3	179.1	-68.2	179.2	-14.7	0	0	112.5
86	G	71.9	Confident	84.1	Confident	62 Å²	62	106.8 Å²	106.8	64%	0.639	54%	0.538	S	S	*	.			trans	-176.1	151.7	174.1	0	0	0	0	0	110.7	V84	V84-G86 VanDerWaalsContact C-N 3.28Å
87	I	72.7	Confident	84.3	Confident	60 Å²	60	104.9 Å²	104.9	31%	0.308	54%	0.538	S	S	.	.			trans	-115.9	116.2	173.3	-58.8	174.7	0	0	0	106.4	P39 L47 V84	P39-I87 HydrophobicContact CB-CD1 3.85Å; P39-I87 HydrophobicContact CG-CD1 3.99Å; L47-I87 HydrophobicContact CD1-CD1 4.34Å; L47-I87 HydrophobicContact CD2-CD1 4.06Å; V84-I87 HydrophobicContact CG2-CD1 3.87Å; V84-I87 HydrophobicContact CG2-CG1 3.54Å
88	K	76.5	Confident	84.3	Confident	158 Å²	158	98.1 Å²	98.1	69%	0.687	52%	0.522	S	S	*	.			trans	-124.2	121.1	172.8	-176.3	177	179.8	177.2	0	107.6
89	A	71.7	Confident	84.3	Confident	78 Å²	78	100.9 Å²	100.9	65%	0.645	54%	0.535	S	S	*	.			trans	-91.2	124.5	167.4	0	0	0	0	0	107.6
90	T	76.9	Confident	84.3	Confident	98 Å²	98	107 Å²	107	60%	0.601	56%	0.561	S	S	*	*			trans	-96.4	123.2	170.8	-45.5	0	0	0	0	107.4	N92	T90-N92 WeakPolarHBondContact CB-OD1 3.18Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.25Å; T90-N92 PolarHBondContact O-N 3.02Å; T90-N92 VanDerWaalsContact O-N 3.13Å
91	D	78.2	Confident	84.3	Confident	131 Å²	131	102.5 Å²	102.5	70%	0.701	55%	0.55	S	S	*	.			trans	-74.8	101.2	172.1	-169.7	-2.3	0	0	0	109	S93	D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.43Å; D91-S93 PolarHBondContact OD1-OG 3.24Å
92	N	84.9	Confident	84.3	Confident	81 Å²	81	104.8 Å²	104.8	43%	0.433	56%	0.559	S	S	.	*			trans	-101.9	16	177.6	-64.1	-4.2	0	0	0	111.4	T90 E94 L95 M96	T90-N92 WeakPolarHBondContact CB-OD1 3.18Å; T90-N92 WeakPolarHBondContact CG2-OD1 3.25Å; T90-N92 PolarHBondContact O-N 3.02Å; T90-N92 VanDerWaalsContact O-N 3.13Å; N92-E94 PolarHBondContact O-N 2.95Å; N92-L95 PolarHBondContact O-N 2.93Å; N92-M96 WeakPolarHBondContact O-CB 3.4Å; N92-M96 VanDerWaalsContact O-CG 3.25Å; N92-M96 WeakPolarHBondContact O-CG 3.34Å; N92-M96 PolarHBondContact O-N 3.3Å
93	S	86.4	Confident	84.5	Confident	67 Å²	67	106 Å²	106	47%	0.469	57%	0.565	S	S	.	*	H	α-helix	trans	-60.4	-48.1	-171.8	-55.2	0	0	0	0	111.9	D91 L95 M96 D97	D91-S93 WeakPolarHBondContact OD1-CB 3.48Å; D91-S93 PolarHBondContact OD1-N 3.43Å; D91-S93 PolarHBondContact OD1-OG 3.24Å; S93-L95 PolarHBondContact O-N 2.9Å; S93-M96 PolarHBondContact O-N 3.46Å; S93-D97 PolarHBondContact O-N 2.96Å
94	E	88	Confident	84.7	Confident	169 Å²	169	101.5 Å²	101.5	79%	0.79	55%	0.548	S	S	*	.	H	α-helix	trans	-63.8	-39.4	178.8	-63.5	-175.9	173.3	0	0	112.6	N92 D97 A98	N92-E94 PolarHBondContact O-N 2.95Å; E94-D97 PolarHBondContact O-N 3.48Å; E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.37Å; E94-A98 PolarHBondContact O-N 2.92Å
95	L	90.1	Very high	85.3	Confident	105 Å²	105	105.9 Å²	105.9	55%	0.55	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-43.3	176.6	-178.4	66.8	0	0	0	110.9	N92 S93 A98 M99	N92-L95 PolarHBondContact O-N 2.93Å; S93-L95 PolarHBondContact O-N 2.9Å; L95-A98 PolarHBondContact O-N 3.04Å; L95-M99 HydrophobicContact CD1-SD 4.5Å; L95-M99 HydrophobicContact CG-SD 4.19Å; L95-M99 WeakPolarHBondContact O-CB 3.31Å; L95-M99 VanDerWaalsContact O-CG 3.23Å; L95-M99 WeakPolarHBondContact O-CG 3.23Å; L95-M99 PolarHBondContact O-N 2.94Å
96	M	86.1	Confident	86.2	Confident	123 Å²	123	103 Å²	103	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-64.3	-42.6	177.7	-72.1	-68.6	-65.5	0	0	111.7	N92 S93 M99 K100	N92-M96 WeakPolarHBondContact O-CB 3.4Å; N92-M96 VanDerWaalsContact O-CG 3.25Å; N92-M96 WeakPolarHBondContact O-CG 3.34Å; N92-M96 PolarHBondContact O-N 3.3Å; S93-M96 PolarHBondContact O-N 3.46Å; M96-M99 PolarHBondContact O-N 3.27Å; M96-K100 WeakPolarHBondContact O-CB 3.28Å; M96-K100 PolarHBondContact O-N 2.99Å
97	D	91.2	Very high	87.2	Confident	96 Å²	96	104.6 Å²	104.6	51%	0.513	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-43.2	177.2	-75.1	-22.4	0	0	0	111.7	S93 E94 K100 I101	S93-D97 PolarHBondContact O-N 2.96Å; E94-D97 PolarHBondContact O-N 3.48Å; D97-K100 WeakPolarHBondContact O-CB 3.47Å; D97-K100 PolarHBondContact O-N 3.47Å; D97-I101 VanDerWaalsContact O-CG1 3.28Å; D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 3.41Å
98	A	91.4	Very high	88.3	Confident	45 Å²	45	108.1 Å²	108.1	37%	0.372	54%	0.544	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.6	0	0	0	0	0	112.1	E94 L95 K100 I101 I102	E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.37Å; E94-A98 PolarHBondContact O-N 2.92Å; L95-A98 PolarHBondContact O-N 3.04Å; A98-K100 VanDerWaalsContact C-N 3.31Å; A98-K100 PolarHBondContact O-N 3.43Å; A98-I101 PolarHBondContact O-N 3.38Å; A98-I102 WeakPolarHBondContact O-CG1 3.25Å; A98-I102 PolarHBondContact O-N 2.94Å
99	M	90.7	Very high	89.1	Confident	115 Å²	115	105.6 Å²	105.6	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-61.2	-40.5	175.9	-74.5	178.9	76.9	0	0	111.7	L95 M96 Q103	L95-M99 HydrophobicContact CD1-SD 4.5Å; L95-M99 HydrophobicContact CG-SD 4.19Å; L95-M99 WeakPolarHBondContact O-CB 3.31Å; L95-M99 VanDerWaalsContact O-CG 3.23Å; L95-M99 WeakPolarHBondContact O-CG 3.23Å; L95-M99 PolarHBondContact O-N 2.94Å; M96-M99 PolarHBondContact O-N 3.27Å; M99-Q103 WeakPolarHBondContact O-CB 3.36Å; M99-Q103 PolarHBondContact O-N 3.31Å
100	K	92.3	Very high	90.2	Very high	153 Å²	153	109.4 Å²	109.4	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-64.2	-44.3	176.7	-175	-178.3	178.1	-174.1	0	111.9	M96 D97 A98 Q103 D104	M96-K100 WeakPolarHBondContact O-CB 3.28Å; M96-K100 PolarHBondContact O-N 2.99Å; D97-K100 WeakPolarHBondContact O-CB 3.47Å; D97-K100 PolarHBondContact O-N 3.47Å; A98-K100 VanDerWaalsContact C-N 3.31Å; A98-K100 PolarHBondContact O-N 3.43Å; K100-Q103 PolarHBondContact O-N 3.03Å; K100-D104 PolarHBondContact O-N 3.38Å
101	I	93.8	Very high	91	Very high	92 Å²	92	111 Å²	111	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-47.6	177.8	-69.8	167.1	0	0	0	110.5	D97 A98 Q103 D104 Y105	D97-I101 VanDerWaalsContact O-CG1 3.28Å; D97-I101 WeakPolarHBondContact O-CG1 3.37Å; D97-I101 PolarHBondContact O-N 3.41Å; A98-I101 PolarHBondContact O-N 3.38Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 2.98Å; I101-D104 PolarHBondContact O-N 3Å; I101-Y105 HydrophobicContact CG2-CD2 3.57Å; I101-Y105 HydrophobicContact CG2-CE2 3.51Å; I101-Y105 VanDerWaalsContact O-CD2 3.25Å; I101-Y105 WeakPolarHBondContact O-CD2 3.49Å; I101-Y105 PolarHBondContact O-N 2.96Å
102	I	94	Very high	91.7	Very high	95 Å²	95	107.1 Å²	107.1	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-60.9	-40.9	178.6	-70.1	168.4	0	0	0	111.3	A98 Y105 K106	A98-I102 WeakPolarHBondContact O-CG1 3.25Å; A98-I102 PolarHBondContact O-N 2.94Å; I102-Y105 PolarHBondContact O-N 3.26Å; I102-K106 HydrophobicContact CG2-CD 4.39Å; I102-K106 WeakPolarHBondContact O-CG 3.27Å; I102-K106 PolarHBondContact O-N 3.38Å
103	Q	93	Very high	92.1	Very high	97 Å²	97	109.1 Å²	109.1	45%	0.453	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-45.3	177.7	-175	60.8	23.9	0	0	111.5	M99 K100 I101 Y105 K106 E107	M99-Q103 WeakPolarHBondContact O-CB 3.36Å; M99-Q103 PolarHBondContact O-N 3.31Å; K100-Q103 PolarHBondContact O-N 3.03Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 2.98Å; Q103-Y105 PolarHBondContact O-N 3.46Å; Q103-K106 PolarHBondContact O-N 2.91Å; Q103-E107 PolarHBondContact NE2-OE1 3.42Å; Q103-E107 WeakPolarHBondContact O-CG 3.43Å; Q103-E107 PolarHBondContact O-N 3.27Å
104	D	93.4	Very high	92.4	Very high	57 Å²	57	112 Å²	112	31%	0.305	53%	0.533	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.6	-170.7	16.7	0	0	0	111.5	K100 I101 K106 E107 R108	K100-D104 PolarHBondContact O-N 3.38Å; I101-D104 PolarHBondContact O-N 3Å; D104-K106 PolarHBondContact O-N 2.93Å; D104-E107 PolarHBondContact O-N 2.85Å; D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 VanDerWaalsContact O-CG 3.27Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.49Å; D104-R108 IonicContact OD1-CZ 2.9Å; D104-R108 IonicContact OD1-NE 3.53Å; D104-R108 PolarHBondContact OD1-NE 3Å; D104-R108 IonicContact OD1-NH2 2.81Å; D104-R108 IonicContact OD2-CZ 3.95Å; D104-R108 VanDerWaalsContact OD2-CZ 3.3Å; D104-R108 IonicContact OD2-NE 3.3Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.78Å; D104-R108 PolarHBondContact OD2-NH2 2.69Å
105	Y	93.6	Very high	92.7	Very high	146 Å²	146	110.1 Å²	110.1	57%	0.573	52%	0.524	S	S	*	.	H	α-helix	trans	-61	-43.2	174.4	-87.5	-72.3	0	0	0	112.9	I101 I102 Q103 E107 R108 M109	I101-Y105 HydrophobicContact CG2-CD2 3.57Å; I101-Y105 HydrophobicContact CG2-CE2 3.51Å; I101-Y105 VanDerWaalsContact O-CD2 3.25Å; I101-Y105 WeakPolarHBondContact O-CD2 3.49Å; I101-Y105 PolarHBondContact O-N 2.96Å; I102-Y105 PolarHBondContact O-N 3.26Å; Q103-Y105 PolarHBondContact O-N 3.46Å; Y105-E107 VanDerWaalsContact C-N 3.35Å; Y105-E107 PolarHBondContact O-N 3.31Å; Y105-R108 PolarHBondContact O-N 3.3Å; Y105-M109 WeakPolarHBondContact O-CB 3.5Å; Y105-M109 WeakPolarHBondContact O-CG 3.49Å; Y105-M109 PolarHBondContact O-N 3.01Å
106	K	93.5	Very high	92.9	Very high	136 Å²	136	109.6 Å²	109.6	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-40.4	176.5	-75.9	-177.6	-177.8	-179.1	0	112.1	I102 Q103 D104 M109 K110	I102-K106 HydrophobicContact CG2-CD 4.39Å; I102-K106 WeakPolarHBondContact O-CG 3.27Å; I102-K106 PolarHBondContact O-N 3.38Å; Q103-K106 PolarHBondContact O-N 2.91Å; D104-K106 PolarHBondContact O-N 2.93Å; K106-M109 PolarHBondContact O-N 3.01Å; K106-K110 WeakPolarHBondContact O-CB 3.44Å; K106-K110 PolarHBondContact O-N 3.37Å
107	E	93.7	Very high	93.3	Very high	94 Å²	94	106.4 Å²	106.4	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-68.9	-37	177.8	-74	174.9	-166	0	0	112.6	Q103 D104 Y105 R111	Q103-E107 PolarHBondContact NE2-OE1 3.42Å; Q103-E107 WeakPolarHBondContact O-CG 3.43Å; Q103-E107 PolarHBondContact O-N 3.27Å; D104-E107 PolarHBondContact O-N 2.85Å; Y105-E107 VanDerWaalsContact C-N 3.35Å; Y105-E107 PolarHBondContact O-N 3.31Å; E107-R111 WeakPolarHBondContact O-CG 3.44Å; E107-R111 PolarHBondContact O-N 3.3Å; E107-R111 VanDerWaalsContact O-N 3.14Å; E107-R111 PolarHBondContact O-NE 3.25Å
108	R	94.6	Very high	93.4	Very high	135 Å²	135	105.7 Å²	105.7	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-43.9	172.7	-70.6	173.6	-167.2	-159.9	3.4	111.6	D104 Y105 K110 R111 A112	D104-R108 WeakPolarHBondContact O-CB 3.47Å; D104-R108 VanDerWaalsContact O-CG 3.27Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.49Å; D104-R108 IonicContact OD1-CZ 2.9Å; D104-R108 IonicContact OD1-NE 3.53Å; D104-R108 PolarHBondContact OD1-NE 3Å; D104-R108 IonicContact OD1-NH2 2.81Å; D104-R108 IonicContact OD2-CZ 3.95Å; D104-R108 VanDerWaalsContact OD2-CZ 3.3Å; D104-R108 IonicContact OD2-NE 3.3Å; D104-R108 PolarHBondContact OD2-NE 3.49Å; D104-R108 IonicContact OD2-NH2 3.78Å; D104-R108 PolarHBondContact OD2-NH2 2.69Å; Y105-R108 PolarHBondContact O-N 3.3Å; R108-K110 PolarHBondContact O-N 3.44Å; R108-R111 PolarHBondContact O-N 3.14Å; R108-A112 PolarHBondContact O-N 2.98Å
109	M	93.8	Very high	93.4	Very high	104 Å²	104	106 Å²	106	51%	0.512	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-46.9	177.3	-80.3	-54.1	-35.6	0	0	112.1	Y105 K106 R111 A112 E113	Y105-M109 WeakPolarHBondContact O-CB 3.5Å; Y105-M109 WeakPolarHBondContact O-CG 3.49Å; Y105-M109 PolarHBondContact O-N 3.01Å; K106-M109 PolarHBondContact O-N 3.01Å; M109-R111 VanDerWaalsContact C-N 3.3Å; M109-R111 PolarHBondContact O-N 3.5Å; M109-A112 PolarHBondContact O-N 3.28Å; M109-E113 HydrophobicContact CE-CG 4.43Å; M109-E113 WeakPolarHBondContact O-CG 3.36Å; M109-E113 PolarHBondContact O-N 2.97Å
110	K	93.9	Very high	93.6	Very high	158 Å²	158	108.6 Å²	108.6	69%	0.687	52%	0.517	S	S	*	.	H	α-helix	trans	-62	-37.5	178.4	-170.1	178.4	-179.7	-177.3	0	112.6	K106 R108 M114	K106-K110 WeakPolarHBondContact O-CB 3.44Å; K106-K110 PolarHBondContact O-N 3.37Å; R108-K110 PolarHBondContact O-N 3.44Å; K110-M114 WeakPolarHBondContact O-CB 3.48Å; K110-M114 PolarHBondContact O-N 3.14Å; K110-M114 VanDerWaalsContact O-N 3.14Å
111	R	93.8	Very high	93.7	Very high	133 Å²	133	108 Å²	108	50%	0.502	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-48.1	175.2	-78.9	-177	-77.9	171.9	-7.3	111.8	E107 R108 M109 E113 M114 E115	E107-R111 WeakPolarHBondContact O-CG 3.44Å; E107-R111 PolarHBondContact O-N 3.3Å; E107-R111 VanDerWaalsContact O-N 3.14Å; E107-R111 PolarHBondContact O-NE 3.25Å; R108-R111 PolarHBondContact O-N 3.14Å; M109-R111 VanDerWaalsContact C-N 3.3Å; M109-R111 PolarHBondContact O-N 3.5Å; R111-E113 VanDerWaalsContact C-N 3.32Å; R111-E113 PolarHBondContact O-N 2.99Å; R111-M114 PolarHBondContact O-N 2.89Å; R111-M114 VanDerWaalsContact O-N 3.16Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.16Å
112	A	92.7	Very high	93.7	Very high	48 Å²	48	109 Å²	109	40%	0.397	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-39	178.7	0	0	0	0	0	112.5	R108 M109 L116	R108-A112 PolarHBondContact O-N 2.98Å; M109-A112 PolarHBondContact O-N 3.28Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 PolarHBondContact O-N 3.39Å
113	E	94.4	Very high	93.7	Very high	124 Å²	124	107.2 Å²	107.2	58%	0.579	51%	0.513	S	S	*	.	H	α-helix	trans	-64	-40.9	174.4	-75.1	176.5	174.8	0	0	112.3	M109 R111 A117	M109-E113 HydrophobicContact CE-CG 4.43Å; M109-E113 WeakPolarHBondContact O-CG 3.36Å; M109-E113 PolarHBondContact O-N 2.97Å; R111-E113 VanDerWaalsContact C-N 3.32Å; R111-E113 PolarHBondContact O-N 2.99Å; E113-A117 WeakPolarHBondContact O-CB 3.28Å; E113-A117 PolarHBondContact O-N 3.32Å
114	M	93.2	Very high	93.8	Very high	127 Å²	127	106.8 Å²	106.8	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-68.7	-42.4	177.8	-171.4	173.4	-173.5	0	0	112.1	K110 R111 A117 N118	K110-M114 WeakPolarHBondContact O-CB 3.48Å; K110-M114 PolarHBondContact O-N 3.14Å; K110-M114 VanDerWaalsContact O-N 3.14Å; R111-M114 PolarHBondContact O-N 2.89Å; R111-M114 VanDerWaalsContact O-N 3.16Å; M114-A117 PolarHBondContact O-N 3.26Å; M114-N118 PolarHBondContact O-N 3.12Å
115	E	93.3	Very high	93.8	Very high	130 Å²	130	108.5 Å²	108.5	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-61	-45	174.9	-75.1	172	-170.6	0	0	111.3	R111 A117 N118 A119	R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.16Å; E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 3.03Å; E115-N118 PolarHBondContact O-N 3.03Å; E115-A119 WeakPolarHBondContact O-CB 3.48Å; E115-A119 PolarHBondContact O-N 2.91Å
116	L	95.3	Very high	93.8	Very high	94 Å²	94	108 Å²	108	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-62.4	-38.5	176.1	-178.2	64.5	0	0	0	112.1	A112 R120	A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 PolarHBondContact O-N 3.39Å; L116-R120 WeakPolarHBondContact O-CB 3.45Å; L116-R120 VanDerWaalsContact O-CG 3.28Å; L116-R120 WeakPolarHBondContact O-CG 3.48Å; L116-R120 PolarHBondContact O-N 2.95Å; L116-R120 VanDerWaalsContact O-N 3.12Å
117	A	93.9	Very high	93.8	Very high	55 Å²	55	109.9 Å²	109.9	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.4	0	0	0	0	0	112.1	E113 M114 E115 R120 Y121	E113-A117 WeakPolarHBondContact O-CB 3.28Å; E113-A117 PolarHBondContact O-N 3.32Å; M114-A117 PolarHBondContact O-N 3.26Å; E115-A117 VanDerWaalsContact C-N 3.31Å; E115-A117 PolarHBondContact O-N 3.03Å; A117-R120 PolarHBondContact O-N 3.05Å; A117-Y121 PolarHBondContact O-N 3.42Å
118	N	93.9	Very high	93.9	Very high	82 Å²	82	107.5 Å²	107.5	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-46.2	177.4	-71.5	-9.3	0	0	0	111.7	M114 E115 R120 Y121 E122	M114-N118 PolarHBondContact O-N 3.12Å; E115-N118 PolarHBondContact O-N 3.03Å; N118-R120 VanDerWaalsContact C-N 3.29Å; N118-R120 PolarHBondContact O-N 3.44Å; N118-Y121 WeakPolarHBondContact O-CB 3.41Å; N118-Y121 PolarHBondContact O-N 3.33Å; N118-E122 WeakPolarHBondContact O-CG 3.38Å; N118-E122 PolarHBondContact O-N 3.4Å
119	A	91.3	Very high	93.8	Very high	52 Å²	52	107.3 Å²	107.3	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-60.6	-38.3	177.7	0	0	0	0	0	112.2	E115 A123	E115-A119 WeakPolarHBondContact O-CB 3.48Å; E115-A119 PolarHBondContact O-N 2.91Å; A119-A123 VanDerWaalsContact O-CB 3.31Å; A119-A123 WeakPolarHBondContact O-CB 3.41Å; A119-A123 PolarHBondContact O-N 2.88Å
120	R	95.2	Very high	93.9	Very high	168 Å²	168	110.1 Å²	110.1	63%	0.634	54%	0.537	S	S	*	.	H	α-helix	trans	-64.6	-41.7	173.2	-76.5	175.3	177.3	-173.3	0.8	111.9	L116 A117 N118 T124	L116-R120 WeakPolarHBondContact O-CB 3.45Å; L116-R120 VanDerWaalsContact O-CG 3.28Å; L116-R120 WeakPolarHBondContact O-CG 3.48Å; L116-R120 PolarHBondContact O-N 2.95Å; L116-R120 VanDerWaalsContact O-N 3.12Å; A117-R120 PolarHBondContact O-N 3.05Å; N118-R120 VanDerWaalsContact C-N 3.29Å; N118-R120 PolarHBondContact O-N 3.44Å; R120-T124 WeakPolarHBondContact O-CG2 3.36Å; R120-T124 PolarHBondContact O-N 2.97Å; R120-T124 PolarHBondContact O-OG1 2.66Å
121	Y	94.2	Very high	93.9	Very high	142 Å²	142	107.7 Å²	107.7	56%	0.557	53%	0.528	S	S	*	.	H	α-helix	trans	-63.5	-48.6	177.6	-177.7	-101.3	0	0	0	111.7	A117 N118 A123 T124 Q125	A117-Y121 PolarHBondContact O-N 3.42Å; N118-Y121 WeakPolarHBondContact O-CB 3.41Å; N118-Y121 PolarHBondContact O-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.14Å; Y121-T124 PolarHBondContact O-N 3.36Å; Y121-T124 VanDerWaalsContact O-N 3.14Å; Y121-T124 PolarHBondContact O-OG1 3.05Å; Y121-Q125 HydrophobicContact CD1-CG 4.34Å; Y121-Q125 VanDerWaalsContact CE1-CD 3.48Å; Y121-Q125 HydrophobicContact CE1-CG 3.97Å; Y121-Q125 PolarHBondContact O-N 2.99Å; Y121-Q125 PolarHBondContact OH-NE2 2.97Å
122	E	92.8	Very high	94	Very high	112 Å²	112	108 Å²	108	52%	0.523	53%	0.533	S	S	.	.	H	α-helix	trans	-59	-45.7	176.5	-72.1	173	-171.3	0	0	111.8	N118 T124 Q125 Q126	N118-E122 WeakPolarHBondContact O-CG 3.38Å; N118-E122 PolarHBondContact O-N 3.4Å; E122-T124 VanDerWaalsContact C-N 3.29Å; E122-T124 PolarHBondContact O-N 2.89Å; E122-Q125 PolarHBondContact O-N 3.18Å; E122-Q125 VanDerWaalsContact O-N 3.12Å; E122-Q126 WeakPolarHBondContact O-CG 3.31Å; E122-Q126 PolarHBondContact O-N 3.27Å
123	A	93.8	Very high	94	Very high	57 Å²	57	110.3 Å²	110.3	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-59.8	-38.7	176.2	0	0	0	0	0	112.2	A119 Y121 R127	A119-A123 VanDerWaalsContact O-CB 3.31Å; A119-A123 WeakPolarHBondContact O-CB 3.41Å; A119-A123 PolarHBondContact O-N 2.88Å; Y121-A123 PolarHBondContact O-N 3.14Å; A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.37Å; A123-R127 VanDerWaalsContact O-N 3.07Å
124	T	94.9	Very high	93.9	Very high	89 Å²	89	106.2 Å²	106.2	55%	0.546	52%	0.524	S	S	.	.	H	α-helix	trans	-68.2	-37.5	175	57	0	0	0	0	112.9	R120 Y121 E122 A128	R120-T124 WeakPolarHBondContact O-CG2 3.36Å; R120-T124 PolarHBondContact O-N 2.97Å; R120-T124 PolarHBondContact O-OG1 2.66Å; Y121-T124 PolarHBondContact O-N 3.36Å; Y121-T124 VanDerWaalsContact O-N 3.14Å; Y121-T124 PolarHBondContact O-OG1 3.05Å; E122-T124 VanDerWaalsContact C-N 3.29Å; E122-T124 PolarHBondContact O-N 2.89Å; T124-A128 PolarHBondContact O-N 3.45Å
125	Q	94.5	Very high	93.9	Very high	93 Å²	93	103.6 Å²	103.6	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-48.1	176.3	-72.9	-158.1	-23.1	0	0	111.9	Y121 E122 R127 A128 E129	Y121-Q125 HydrophobicContact CD1-CG 4.34Å; Y121-Q125 VanDerWaalsContact CE1-CD 3.48Å; Y121-Q125 HydrophobicContact CE1-CG 3.97Å; Y121-Q125 PolarHBondContact O-N 2.99Å; Y121-Q125 PolarHBondContact OH-NE2 2.97Å; E122-Q125 PolarHBondContact O-N 3.18Å; E122-Q125 VanDerWaalsContact O-N 3.12Å; Q125-R127 VanDerWaalsContact C-N 3.27Å; Q125-R127 PolarHBondContact O-N 2.94Å; Q125-A128 WeakPolarHBondContact O-CB 3.44Å; Q125-A128 PolarHBondContact O-N 2.89Å; Q125-A128 VanDerWaalsContact O-N 3.08Å; Q125-E129 PolarHBondContact O-N 3.49Å
126	Q	92.8	Very high	93.8	Very high	136 Å²	136	106.1 Å²	106.1	64%	0.636	52%	0.522	S	S	*	.	H	α-helix	trans	-59.9	-39	177.9	-72.7	-175.1	-5	0	0	111.6	E122 A128 E129 Y130	E122-Q126 WeakPolarHBondContact O-CG 3.31Å; E122-Q126 PolarHBondContact O-N 3.27Å; Q126-A128 PolarHBondContact O-N 3.49Å; Q126-E129 PolarHBondContact O-N 2.86Å; Q126-Y130 WeakPolarHBondContact O-CB 3.32Å; Q126-Y130 PolarHBondContact O-N 3.42Å
127	R	94.7	Very high	93.5	Very high	175 Å²	175	106 Å²	106	66%	0.66	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-42.7	174.5	-171.7	174.5	179.2	171.7	3.9	112.2	A123 Q125 Y130 E131	A123-R127 WeakPolarHBondContact O-CB 3.33Å; A123-R127 PolarHBondContact O-N 3.37Å; A123-R127 VanDerWaalsContact O-N 3.07Å; Q125-R127 VanDerWaalsContact C-N 3.27Å; Q125-R127 PolarHBondContact O-N 2.94Å; R127-Y130 PolarHBondContact O-N 3.2Å; R127-E131 IonicContact NE-OE1 3.03Å; R127-E131 WeakPolarHBondContact O-CG 2.98Å; R127-E131 PolarHBondContact O-N 2.82Å
128	A	94.1	Very high	93.4	Very high	44 Å²	44	109.9 Å²	109.9	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-67.3	-35.5	177.2	0	0	0	0	0	112.9	T124 Q125 Q126 K132	T124-A128 PolarHBondContact O-N 3.45Å; Q125-A128 WeakPolarHBondContact O-CB 3.44Å; Q125-A128 PolarHBondContact O-N 2.89Å; Q125-A128 VanDerWaalsContact O-N 3.08Å; Q126-A128 PolarHBondContact O-N 3.49Å; A128-K132 WeakPolarHBondContact O-CG 3.05Å; A128-K132 PolarHBondContact O-N 3.13Å
129	E	94	Very high	93.2	Very high	130 Å²	130	110.2 Å²	110.2	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-69.9	-41.5	174.1	-70.3	-164.7	158	0	0	112.4	Q125 Q126 E131 K132 L133	Q125-E129 PolarHBondContact O-N 3.49Å; Q126-E129 PolarHBondContact O-N 2.86Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 3.17Å; E129-K132 WeakPolarHBondContact O-CB 3.12Å; E129-K132 PolarHBondContact O-N 3.17Å; E129-L133 PolarHBondContact O-N 3.17Å
130	Y	94.7	Very high	92.9	Very high	163 Å²	163	113.6 Å²	113.6	64%	0.639	54%	0.537	S	S	*	.	H	α-helix	trans	-57.8	-45.3	174.6	-177.4	-97.7	0	0	0	111.2	Q126 R127 K132 L133 C134	Q126-Y130 WeakPolarHBondContact O-CB 3.32Å; Q126-Y130 PolarHBondContact O-N 3.42Å; R127-Y130 PolarHBondContact O-N 3.2Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 3.17Å; Y130-L133 PolarHBondContact O-N 2.8Å; Y130-C134 WeakPolarHBondContact CE1-SG 3.06Å; Y130-C134 WeakPolarHBondContact O-CB 3.32Å; Y130-C134 PolarHBondContact O-N 3.04Å; Y130-C134 PolarHBondContact O-SG 3.17Å
131	E	94.9	Very high	92.4	Very high	107 Å²	107	112.3 Å²	112.3	50%	0.5	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-38.8	175.9	-75.4	172.6	-169.6	0	0	113	R127 E129 S135	R127-E131 IonicContact NE-OE1 3.03Å; R127-E131 WeakPolarHBondContact O-CG 2.98Å; R127-E131 PolarHBondContact O-N 2.82Å; E129-E131 VanDerWaalsContact C-N 3.32Å; E129-E131 PolarHBondContact O-N 3.17Å; E131-S135 PolarHBondContact O-N 3.26Å; E131-S135 VanDerWaalsContact O-N 3.08Å; E131-S135 PolarHBondContact O-OG 2.94Å
132	K	95.1	Very high	92	Very high	139 Å²	139	111.5 Å²	111.5	60%	0.604	53%	0.532	S	S	*	.	H	α-helix	trans	-66.5	-41	173.8	-72.8	174.1	-175.3	171.8	0	112	A128 E129 Y130 S135 R136	A128-K132 WeakPolarHBondContact O-CG 3.05Å; A128-K132 PolarHBondContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.12Å; E129-K132 PolarHBondContact O-N 3.17Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 3.17Å; K132-S135 PolarHBondContact O-N 2.85Å; K132-R136 WeakPolarHBondContact O-CG 3.2Å; K132-R136 PolarHBondContact O-N 3.34Å
133	L	93.4	Very high	91.5	Very high	97 Å²	97	112 Å²	112	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-41.1	-179.8	-171.6	62.7	0	0	0	111.3	E129 Y130 S135 R136 L137	E129-L133 PolarHBondContact O-N 3.17Å; Y130-L133 PolarHBondContact O-N 2.8Å; L133-S135 PolarHBondContact O-N 3.23Å; L133-R136 PolarHBondContact O-N 3.49Å; L133-L137 HydrophobicContact CG-CD1 4.49Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.12Å
134	C	92.3	Very high	90.7	Very high	39 Å²	39	115.4 Å²	115.4	26%	0.264	54%	0.542	S	S	.	.	H	α-helix	trans	-56.1	-48.8	171.1	-73.1	0	0	0	0	111.3	Y130 R136 L137 E138	Y130-C134 WeakPolarHBondContact CE1-SG 3.06Å; Y130-C134 WeakPolarHBondContact O-CB 3.32Å; Y130-C134 PolarHBondContact O-N 3.04Å; Y130-C134 PolarHBondContact O-SG 3.17Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 3.15Å; C134-L137 PolarHBondContact O-N 2.85Å; C134-E138 WeakPolarHBondContact O-CG 3.13Å; C134-E138 PolarHBondContact O-N 2.77Å
135	S	92.9	Very high	89.7	Confident	71 Å²	71	119.4 Å²	119.4	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-58.1	-42.2	175.7	-59.1	0	0	0	0	112.7	E131 K132 L133 E138 E139	E131-S135 PolarHBondContact O-N 3.26Å; E131-S135 VanDerWaalsContact O-N 3.08Å; E131-S135 PolarHBondContact O-OG 2.94Å; K132-S135 PolarHBondContact O-N 2.85Å; L133-S135 PolarHBondContact O-N 3.23Å; S135-E138 PolarHBondContact O-N 3.12Å; S135-E139 PolarHBondContact O-N 3.43Å
136	R	91.4	Very high	88.4	Confident	184 Å²	184	121.3 Å²	121.3	69%	0.694	56%	0.563	S	S	*	*	H	α-helix	trans	-66	-40.3	177	-75.9	-178.7	180	177.4	1.2	112.5	K132 L133 C134 E139 M140	K132-R136 WeakPolarHBondContact O-CG 3.2Å; K132-R136 PolarHBondContact O-N 3.34Å; L133-R136 PolarHBondContact O-N 3.49Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 3.15Å; R136-E139 PolarHBondContact O-N 3.26Å; R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 PolarHBondContact O-N 2.95Å
137	L	89.1	Confident	86.1	Confident	90 Å²	90	125.1 Å²	125.1	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-65.2	-40.7	177.1	-79.2	172.1	0	0	0	111.4	L133 C134 M140 K141	L133-L137 HydrophobicContact CG-CD1 4.49Å; L133-L137 WeakPolarHBondContact O-CG 3.39Å; L133-L137 PolarHBondContact O-N 3.12Å; C134-L137 PolarHBondContact O-N 2.85Å; L137-M140 PolarHBondContact O-N 3.4Å; L137-K141 WeakPolarHBondContact O-CB 3.24Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.37Å; L137-K141 PolarHBondContact O-N 2.87Å
138	E	90.8	Very high	83.7	Confident	138 Å²	138	122.4 Å²	122.4	65%	0.645	58%	0.577	S	S	*	*	H	α-helix	trans	-62.1	-44.9	173.9	-74.2	178.7	177.1	0	0	111.6	C134 S135 M140 K141 R142	C134-E138 WeakPolarHBondContact O-CG 3.13Å; C134-E138 PolarHBondContact O-N 2.77Å; S135-E138 PolarHBondContact O-N 3.12Å; E138-M140 PolarHBondContact O-N 3.33Å; E138-K141 PolarHBondContact O-N 2.97Å; E138-R142 PolarHBondContact O-N 3.05Å
139	E	90.5	Very high	80.9	Confident	89 Å²	89	126.4 Å²	126.4	42%	0.416	60%	0.602	S	S	.	*	H	α-helix	trans	-65	-39.2	176.9	178.9	149.6	-153.9	0	0	112.8	S135 R136 R142 K143	S135-E139 PolarHBondContact O-N 3.43Å; R136-E139 PolarHBondContact O-N 3.26Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.43Å; E139-R142 IonicContact OE1-NH2 3.01Å; E139-R142 PolarHBondContact OE1-NH2 2.95Å; E139-K143 HydrophobicContact CG-CD 4.47Å; E139-K143 WeakPolarHBondContact O-CG 3.29Å; E139-K143 PolarHBondContact O-N 3.07Å; E139-K143 IonicContact OE1-NZ 2.82Å
140	M	85.4	Confident	78.1	Confident	122 Å²	122	125.6 Å²	125.6	60%	0.601	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-38.5	178	-161.8	170.6	175.7	0	0	111.6	R136 L137 E138 K143 L144	R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 PolarHBondContact O-N 2.95Å; L137-M140 PolarHBondContact O-N 3.4Å; E138-M140 PolarHBondContact O-N 3.33Å; M140-K143 PolarHBondContact O-N 3.34Å; M140-L144 WeakPolarHBondContact O-CG 3.46Å; M140-L144 PolarHBondContact O-N 3.21Å
141	K	83.9	Confident	74.9	Confident	141 Å²	141	123.1 Å²	123.1	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-61.2	-41.7	171.2	-78.3	177.7	179.6	179.7	0	111.8	L137 E138 L144 Q145	L137-K141 WeakPolarHBondContact O-CB 3.24Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.37Å; L137-K141 PolarHBondContact O-N 2.87Å; E138-K141 PolarHBondContact O-N 2.97Å; K141-L144 PolarHBondContact O-N 3.08Å; K141-Q145 PolarHBondContact O-N 3.17Å; K141-Q145 VanDerWaalsContact O-N 3.17Å
142	R	85.2	Confident	71.8	Confident	125 Å²	125	125.1 Å²	125.1	47%	0.472	63%	0.63	S	S	.	*	H	α-helix	trans	-60.5	-47.6	174.4	-176	-176.9	63.9	141.3	-4.2	111.7	E138 E139 L144 Q145 E146	E138-R142 PolarHBondContact O-N 3.05Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.43Å; E139-R142 IonicContact OE1-NH2 3.01Å; E139-R142 PolarHBondContact OE1-NH2 2.95Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 2.73Å; R142-Q145 PolarHBondContact O-N 3.13Å; R142-Q145 VanDerWaalsContact O-N 3.08Å; R142-E146 PolarHBondContact O-N 2.82Å
143	K	82.8	Confident	68.6	Low	124 Å²	124	125.6 Å²	125.6	54%	0.539	64%	0.638	S	S	.	*	H	α-helix	trans	-62	-31.3	178	-73.1	176.6	-178.3	173.3	0	113.3	E139 M140	E139-K143 HydrophobicContact CG-CD 4.47Å; E139-K143 WeakPolarHBondContact O-CG 3.29Å; E139-K143 PolarHBondContact O-N 3.07Å; E139-K143 IonicContact OE1-NZ 2.82Å; M140-K143 PolarHBondContact O-N 3.34Å
144	L	76.2	Confident	65.6	Low	128 Å²	128	126.3 Å²	126.3	67%	0.67	65%	0.651	S	S	*	*	H	α-helix	trans	-72.1	-32.3	175	-80.5	159.9	0	0	0	112.5	M140 K141 R142	M140-L144 WeakPolarHBondContact O-CG 3.46Å; M140-L144 PolarHBondContact O-N 3.21Å; K141-L144 PolarHBondContact O-N 3.08Å; R142-L144 VanDerWaalsContact C-N 3.26Å; R142-L144 PolarHBondContact O-N 2.73Å
145	Q	75.1	Confident	62.4	Low	172 Å²	172	130.1 Å²	130.1	80%	0.804	68%	0.677	S	S	*	*	H	α-helix	trans	-76.2	-26.3	177.6	-72.3	179.7	-17.3	0	0	113.3	K141 R142	K141-Q145 PolarHBondContact O-N 3.17Å; K141-Q145 VanDerWaalsContact O-N 3.17Å; R142-Q145 PolarHBondContact O-N 3.13Å; R142-Q145 VanDerWaalsContact O-N 3.08Å
146	E	67.1	Low	59.7	Low	134 Å²	134	132.1 Å²	132.1	63%	0.626	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.2	-176.5	-71.9	177.8	-179.7	0	0	114.8	R142 P148	R142-E146 PolarHBondContact O-N 2.82Å; E146-P148 WeakPolarHBondContact O-CD 3.45Å
147	R	44.6	Very low	56.7	Low	215 Å²	215	131.5 Å²	131.5	81%	0.811	70%	0.696	S	S	*	*			trans	-100.2	112.1	-176.9	-110.6	178.7	157	-179.1	-6.2	112.5
148	P	43.1	Very low	53.8	Low	119 Å²	119	138.7 Å²	138.7	77%	0.773	72%	0.717	S	S	*	*			trans	-74.7	138.2	170.4	-3.3	20.3	0	0	0	110.5	E146 S150	E146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-S150 PolarHBondContact O-N 2.78Å; P148-S150 VanDerWaalsContact O-N 3.16Å
149	S	36.5	Very low	51.5	Low	127 Å²	127	137.8 Å²	137.8	89%	0.888	72%	0.723	S	S	*	*			trans	-65.1	104.2	177.3	-52.5	0	0	0	0	111.7
150	S	34.4	Very low	48.5	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	73%	0.732	S	S	*	*			trans	-137.9	115.1	157	63.6	0	0	0	0	110.1	P148	P148-S150 PolarHBondContact O-N 2.78Å; P148-S150 VanDerWaalsContact O-N 3.16Å
151	C	27.9	Very low	46.2	Very low	112 Å²	112	137.3 Å²	137.3	76%	0.757	75%	0.746	S	S	*	*			trans	-66.8	166.5	176	-57.2	0	0	0	0	112.7
152	L	29.4	Very low	43.9	Very low	149 Å²	149	139 Å²	139	78%	0.78	76%	0.756	S	S	*	*			trans	92.8	119.2	150.5	-61.6	174.7	0	0	0	118.9
153	L	27.8	Very low	41.8	Very low	149 Å²	149	137.3 Å²	137.3	78%	0.78	76%	0.763	S	S	*	*			trans	67.8	103.6	134.2	-65.1	160.8	0	0	0	117
154	S	30.4	Very low	40.2	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	78%	0.776	S	S	*	*			trans	-148.3	103.2	132.9	-168.3	0	0	0	0	110.1	S156	S154-S156 PolarHBondContact O-N 3.2Å
155	C	26.6	Very low	39.1	Very low	119 Å²	119	139.8 Å²	139.8	80%	0.804	77%	0.77	S	S	*	*			trans	-63.1	113.6	153.5	37.1	0	0	0	0	108.4
156	S	35.3	Very low	38.7	Very low	113 Å²	113	137 Å²	137	79%	0.79	75%	0.752	S	S	*	*			trans	-116.3	117.7	165.6	-171.4	0	0	0	0	109.2	S154	S154-S156 PolarHBondContact O-N 3.2Å
157	Q	28.2	Very low	38.7	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	73%	0.727	S	S	*	*			trans	-70.4	141.5	172.5	-59.1	163.8	-5.2	0	0	109.5
158	R	28.7	Very low	40.3	Very low	241 Å²	241	126.8 Å²	126.8	91%	0.909	71%	0.71	S	S	*	*				172.3	162.6	127.9	-94.6	173.8	-174.4	-150.7	2.7	112.9
159	P	41.9	Very low	42.1	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	68%	0.675	S	S	*	*			trans	-107.9	158.7	-143.2	40.5	-33.8	0	0	0	113.7
160	A	27.7	Very low	44.3	Very low	74 Å²	74	120.5 Å²	120.5	61%	0.612	66%	0.657	S	S	*	*				178.9	147.1	129.9	0	0	0	0	0	108.3	Q162	A160-Q162 PolarHBondContact O-N 2.93Å
161	S	37.4	Very low	46.6	Very low	127 Å²	127	119 Å²	119	89%	0.888	64%	0.639	S	S	*	*			trans	-35.3	97.6	169.6	50.3	0	0	0	0	113.5
162	Q	36.1	Very low	49.3	Very low	176 Å²	176	119.7 Å²	119.7	82%	0.822	63%	0.626	S	S	*	*			trans	-103.8	112.2	171.4	-74.9	175.2	13	0	0	107	A160 K164	A160-Q162 PolarHBondContact O-N 2.93Å; Q162-K164 PolarHBondContact O-N 3.29Å
163	S	40.7	Very low	51.8	Low	90 Å²	90	116.6 Å²	116.6	63%	0.629	61%	0.608	S	S	*	*			trans	-44.4	123.3	165	46.3	0	0	0	0	108.6	E165	S163-E165 PolarHBondContact O-N 2.75Å
164	K	48.7	Very low	54.6	Low	187 Å²	187	112.8 Å²	112.8	81%	0.813	59%	0.59	S	S	*	*			trans	-51.3	108.8	164.3	-68.4	-178.9	176.6	-176.6	0	106.4	Q162 R166	Q162-K164 PolarHBondContact O-N 3.29Å; K164-R166 PolarHBondContact O-N 2.81Å
165	E	53.6	Low	57.2	Low	117 Å²	117	108 Å²	108	55%	0.547	56%	0.556	S	S	.	*			trans	-65.1	108.7	177	-72.5	-174.9	162.5	0	0	106.9	S163	S163-E165 PolarHBondContact O-N 2.75Å
166	R	67.3	Low	59.9	Low	113 Å²	113	106.6 Å²	106.6	43%	0.426	54%	0.544	S	S	.	.			trans	-89.8	145.6	178.9	-73.4	174.1	167.6	175.4	-7.3	107.5	K164 R168 E474	K164-R166 PolarHBondContact O-N 2.81Å; R166-R168 WeakPolarHBondContact O-CG 3.33Å; R166-R168 PolarHBondContact O-N 3.02Å; R166-R168 VanDerWaalsContact O-N 3.1Å; R166-E474 IonicContact CZ-OE2 3.93Å; R166-E474 IonicContact NE-OE2 2.71Å; R166-E474 IonicContact NH2-OE2 2.83Å; R166-E474 PolarHBondContact NH2-OE2 3.1Å
167	P	66.8	Low	61.8	Low	13 Å²	13	101.7 Å²	101.7	8%	0.084	51%	0.509	C	S	.	.			trans	-56.8	120.3	176.8	16.2	-25	0	0	0	109.9	Y443 T476 H477 L521	P167-Y443 HydrophobicContact CB-CD1 3.86Å; P167-Y443 HydrophobicContact CB-CE1 3.96Å; P167-Y443 HydrophobicContact CB-CG 4.23Å; P167-Y443 HydrophobicContact CG-CD1 4.42Å; P167-T476 HydrophobicContact CG-CG2 3.83Å; P167-T476 PolarHBondContact O-OG1 3.09Å; P167-H477 WeakPolarHBondContact O-CB 3.46Å; P167-L521 CarbonylContact C-O 3.58Å; P167-L521 WeakPolarHBondContact CA-O 2.76Å
168	R	77.9	Confident	63.9	Low	122 Å²	122	100.8 Å²	100.8	46%	0.46	51%	0.505	S	S	.	.			trans	-115.4	152.5	-179.5	-75.5	172.5	-176.5	176.4	4.4	109.8	R166 H477 L520 L521	R166-R168 WeakPolarHBondContact O-CG 3.33Å; R166-R168 PolarHBondContact O-N 3.02Å; R166-R168 VanDerWaalsContact O-N 3.1Å; R168-H477 HydrophobicContact CG-CB 4.45Å; R168-L520 CarbonylContact O-C 3.5Å; R168-L520 VanDerWaalsContact O-CA 3.31Å; R168-L520 WeakPolarHBondContact O-CA 3.31Å; R168-L521 PolarHBondContact N-O 3.46Å; R168-L521 PolarHBondContact O-N 2.73Å
169	A	80.4	Confident	66	Low	5 Å²	5	91.9 Å²	91.9	4%	0.041	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.6	171.7	0	0	0	0	0	108.6	L467 H477 A479 Y518 G519 L520	A169-L467 HydrophobicContact CB-CD1 3.94Å; A169-H477 PolarHBondContact N-CD2 2.98Å; A169-H477 PolarHBondContact N-NE2 2.96Å; A169-H477 PolarHBondContact O-NE2 3.29Å; A169-A479 HydrophobicContact CB-CB 3.95Å; A169-Y518 HydrophobicContact CB-CD1 4.28Å; A169-Y518 HydrophobicContact CB-CG 4.41Å; A169-G519 WeakPolarHBondContact CA-O 3.48Å; A169-L520 HydrophobicContact CB-CD2 3.77Å
170	E	82.7	Confident	67.5	Low	108 Å²	108	86.9 Å²	86.9	51%	0.505	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.4	174.7	-69.6	-174.6	179.9	0	0	109.6	R172 Y518 G519 L521	E170-R172 PolarHBondContact O-N 2.76Å; E170-Y518 CarbonylContact O-C 3.48Å; E170-Y518 WeakPolarHBondContact O-CA 3.35Å; E170-G519 PolarHBondContact N-O 3.03Å; E170-G519 PolarHBondContact O-N 3.04Å; E170-L521 HydrophobicContact CB-CD1 4.33Å; E170-L521 VanDerWaalsContact CD-CD1 3.43Å; E170-L521 HydrophobicContact CG-CD1 3.93Å; E170-L521 WeakPolarHBondContact OE2-CD1 3.41Å
171	I	83.4	Confident	70.1	Confident	82 Å²	82	85.2 Å²	85.2	42%	0.421	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	131.7	178.8	-172.1	163.2	0	0	0	110.6	P482 Y516 Y518	I171-P482 HydrophobicContact CD1-CB 4.37Å; I171-P482 HydrophobicContact CD1-CG 3.11Å; I171-Y516 HydrophobicContact CD1-CD1 4.22Å; I171-Y518 HydrophobicContact CB-CD1 4.03Å; I171-Y518 HydrophobicContact CB-CE1 3.96Å; I171-Y518 HydrophobicContact CG1-CE1 4.48Å
172	R	83.3	Confident	72.5	Confident	126 Å²	126	82.1 Å²	82.1	48%	0.475	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-58.6	177.1	-73.2	-169.4	170.3	-168.7	4.1	111.4	E170 C504 S517	E170-R172 PolarHBondContact O-N 2.76Å; R172-C504 VanDerWaalsContact CZ-SG 3.52Å; R172-C504 PolarHBondContact NH1-SG 3.43Å; R172-C504 PolarHBondContact NH2-SG 3.33Å; R172-S517 PolarHBondContact N-O 2.93Å
173	E	83.4	Confident	75.3	Confident	85 Å²	85	73.8 Å²	73.8	40%	0.397	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148.2	-173.1	-58.1	178.1	-160	0	0	111.5	M218 S517	E173-M218 WeakPolarHBondContact OE2-CB 3.39Å; E173-M218 WeakPolarHBondContact OE2-CG 3.47Å; E173-S517 WeakPolarHBondContact CB-OG 3.23Å; E173-S517 PolarHBondContact N-O 2.88Å; E173-S517 PolarHBondContact N-OG 3.34Å; E173-S517 VanDerWaalsContact N-OG 3.12Å; E173-S517 PolarHBondContact O-N 3.45Å; E173-S517 PolarHBondContact O-OG 2.98Å; E173-S517 VanDerWaalsContact O-OG 3.05Å
174	T	86.7	Confident	77.8	Confident	68 Å²	68	71.8 Å²	71.8	42%	0.417	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.3	170.7	-58.7	0	0	0	0	108.4	C514 Y516	T174-C514 HydrophobicContact CG2-CB 3.99Å; T174-Y516 HydrophobicContact CG2-CD1 3.79Å; T174-Y516 HydrophobicContact CG2-CE1 3.67Å; T174-Y516 WeakPolarHBondContact OG1-CD1 3.37Å
175	I	83.7	Confident	80.1	Confident	13 Å²	13	63 Å²	63	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.7	177.9	-62.1	164.4	0	0	0	108.1	V213 M218 L515	I175-V213 HydrophobicContact CD1-CG1 3.93Å; I175-M218 HydrophobicContact CD1-CB 4.05Å; I175-M218 HydrophobicContact CD1-CE 3.76Å; I175-M218 VanDerWaalsContact CD1-O 3.22Å; I175-M218 WeakPolarHBondContact CD1-O 3.44Å; I175-M218 WeakPolarHBondContact CG1-O 3.47Å; I175-L515 HydrophobicContact CB-CB 4.29Å; I175-L515 HydrophobicContact CB-CD2 4.36Å; I175-L515 HydrophobicContact CD1-CD2 3.91Å; I175-L515 PolarHBondContact N-O 2.86Å; I175-L515 PolarHBondContact O-N 2.86Å
176	T	83.2	Confident	82.2	Confident	89 Å²	89	57.9 Å²	57.9	55%	0.546	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.5	171.9	53.3	0	0	0	0	109.1	Q178	T176-Q178 PolarHBondContact O-N 2.84Å
177	V	76.1	Confident	83.6	Confident	10 Å²	10	53.3 Å²	53.3	6%	0.061	27%	0.269	C	S	.	.			trans	-79.7	107.1	179.9	-168.2	0	0	0	0	107.7	G179 H180 L183 A211 Y220	V177-G179 PolarHBondContact O-N 2.99Å; V177-G179 VanDerWaalsContact O-N 3.15Å; V177-H180 HydrophobicContact CB-CB 3.93Å; V177-H180 HydrophobicContact CG1-CB 3.57Å; V177-H180 VanDerWaalsContact CG1-CD2 3.49Å; V177-H180 WeakPolarHBondContact CG1-CD2 3.37Å; V177-H180 PolarHBondContact O-N 2.79Å; V177-H180 VanDerWaalsContact O-N 3.12Å; V177-L183 HydrophobicContact CB-CD2 4.46Å; V177-L183 HydrophobicContact CG2-CD1 3.86Å; V177-L183 HydrophobicContact CG2-CD2 4.08Å; V177-A211 HydrophobicContact CG1-CB 3.65Å; V177-Y220 HydrophobicContact CG1-CD2 3.66Å; V177-Y220 HydrophobicContact CG1-CE2 3.62Å
178	Q	72.6	Confident	85.1	Confident	152 Å²	152	53.8 Å²	53.8	71%	0.71	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	118.6	-168.1	-68.3	-173.4	-1.8	0	0	113.1	T176 H180	T176-Q178 PolarHBondContact O-N 2.84Å; Q178-H180 PolarHBondContact O-CD2 3.4Å; Q178-H180 PolarHBondContact O-N 2.8Å
179	G	72.1	Confident	85.9	Confident	53 Å²	53	48.1 Å²	48.1	55%	0.546	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-2.4	176.9	0	0	0	0	0	115.4	V177 F201	V177-G179 PolarHBondContact O-N 2.99Å; V177-G179 VanDerWaalsContact O-N 3.15Å; G179-F201 WeakPolarHBondContact O-CD2 3.05Å
180	H	74.6	Confident	86.5	Confident	15 Å²	15	51.8 Å²	51.8	7%	0.069	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.3	179.8	-71.3	-74.8	0	0	0	110.3	V177 Q178 C199 F201 Y220 S223	V177-H180 HydrophobicContact CB-CB 3.93Å; V177-H180 HydrophobicContact CG1-CB 3.57Å; V177-H180 VanDerWaalsContact CG1-CD2 3.49Å; V177-H180 WeakPolarHBondContact CG1-CD2 3.37Å; V177-H180 PolarHBondContact O-N 2.79Å; V177-H180 VanDerWaalsContact O-N 3.12Å; Q178-H180 PolarHBondContact O-CD2 3.4Å; Q178-H180 PolarHBondContact O-N 2.8Å; H180-C199 HydrophobicContact CB-CB 3.86Å; H180-C199 PolarHBondContact ND1-SG 3.2Å; H180-F201 AromaticContact CE1-CD2 3.74Å; H180-F201 AromaticContact ND1-CD2 3.78Å; H180-Y220 AromaticContact NE2-CZ 3.96Å; H180-Y220 PolarHBondContact NE2-OH 2.98Å; H180-S223 PolarHBondContact CE1-OG 3.29Å; H180-S223 PolarHBondContact NE2-OG 3.11Å
181	I	82.1	Confident	86.9	Confident	38 Å²	38	54 Å²	54	20%	0.195	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	176.3	178.5	59.5	165.2	0	0	0	109.9	L183 H200 Q202	I181-L183 VanDerWaalsContact C-N 3.35Å; I181-L183 PolarHBondContact O-N 2.65Å; I181-H200 WeakPolarHBondContact CG1-O 3.4Å; I181-H200 PolarHBondContact N-O 2.88Å; I181-H200 PolarHBondContact O-N 3.49Å; I181-Q202 HydrophobicContact CD1-CB 3.87Å; I181-Q202 HydrophobicContact CD1-CG 3.97Å; I181-Q202 HydrophobicContact CG1-CB 4.23Å
182	E	88.2	Confident	87.3	Confident	62 Å²	62	53.5 Å²	53.5	29%	0.29	28%	0.277	S	S	.	.			trans	56.7	43.7	178.4	-55	-159	155.6	0	0	114	H200 Y208 R230 K512	E182-H200 HydrophobicContact CB-CB 4.13Å; E182-H200 HydrophobicContact CG-CB 4.49Å; E182-Y208 PolarHBondContact OE2-OH 3.43Å; E182-R230 IonicContact OE2-NH2 3.69Å; E182-K512 PolarHBondContact N-O 2.89Å
183	L	93.6	Very high	87.9	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.255	C	S	.	.			trans	-59.9	139	167.4	-55.6	179.3	0	0	0	109.7	V177 I181 S198 C199 Y493 L510 S511 K512	V177-L183 HydrophobicContact CB-CD2 4.46Å; V177-L183 HydrophobicContact CG2-CD1 3.86Å; V177-L183 HydrophobicContact CG2-CD2 4.08Å; I181-L183 VanDerWaalsContact C-N 3.35Å; I181-L183 PolarHBondContact O-N 2.65Å; L183-S198 VanDerWaalsContact CA-O 3.3Å; L183-S198 WeakPolarHBondContact CA-O 3.37Å; L183-S198 WeakPolarHBondContact CD2-O 3.34Å; L183-C199 HydrophobicContact CD2-CB 3.55Å; L183-Y493 VanDerWaalsContact O-CD2 3.31Å; L183-Y493 WeakPolarHBondContact O-CD2 3.4Å; L183-L510 HydrophobicContact CB-CD1 3.97Å; L183-L510 HydrophobicContact CB-CD2 4.27Å; L183-L510 HydrophobicContact CB-CG 4.04Å; L183-L510 HydrophobicContact CD1-CD1 3.86Å; L183-L510 HydrophobicContact CG-CD1 4.45Å; L183-S511 VanDerWaalsContact CB-O 3.23Å; L183-S511 WeakPolarHBondContact CB-O 3.3Å; L183-K512 PolarHBondContact N-O 3.43Å
184	R	93.7	Very high	88.4	Confident	48 Å²	48	43.9 Å²	43.9	18%	0.181	24%	0.238	C	C	.	.			trans	-143.7	-48.2	-171.5	-170.6	68.8	-163.8	-163.4	10.8	115.5	S198 L435 Y493	R184-S198 PolarHBondContact N-OG 2.85Å; R184-L435 PolarHBondContact NH2-O 2.74Å; R184-Y493 WeakPolarHBondContact O-CB 3.48Å
185	V	97.3	Very high	88.9	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	22%	0.219	C	C	.	.			trans	-131.3	152.9	179.2	-67.3	0	0	0	0	110	S197 S198 I231 R232 M234 D494	V185-S197 CarbonylContact O-C 3.56Å; V185-S197 VanDerWaalsContact O-CA 3.31Å; V185-S197 WeakPolarHBondContact O-CA 3.38Å; V185-S197 PolarHBondContact O-OG 2.81Å; V185-S198 WeakPolarHBondContact CG2-OG 3.3Å; V185-S198 PolarHBondContact N-OG 2.81Å; V185-S198 PolarHBondContact O-N 2.81Å; V185-S198 PolarHBondContact O-OG 2.82Å; V185-I231 HydrophobicContact CG2-CG2 4.24Å; V185-R232 WeakPolarHBondContact CG1-O 3.29Å; V185-M234 HydrophobicContact CB-CG 4.35Å; V185-M234 HydrophobicContact CG2-CE 3.88Å; V185-M234 HydrophobicContact CG2-CG 3.86Å; V185-M234 HydrophobicContact CG2-SD 4.1Å; V185-D494 WeakPolarHBondContact CA-OD2 3.28Å
186	M	97.2	Very high	89.6	Confident	9 Å²	9	40.1 Å²	40.1	4%	0.044	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.7	174.3	57.8	178.9	170.4	0	0	112.5	M195 L196 D494 T496 F508 L510 L515	M186-M195 HydrophobicContact CB-CG 4.39Å; M186-M195 HydrophobicContact CB-SD 4.31Å; M186-M195 HydrophobicContact SD-SD 3.83Å; M186-L196 CarbonylContact C-O 3.45Å; M186-L196 WeakPolarHBondContact CA-O 3.34Å; M186-L196 WeakPolarHBondContact CB-O 3.49Å; M186-D494 VanDerWaalsContact CE-C 3.46Å; M186-D494 HydrophobicContact CE-CB 3.89Å; M186-D494 VanDerWaalsContact CE-O 3.26Å; M186-D494 WeakPolarHBondContact CE-O 3.39Å; M186-D494 HydrophobicContact CG-CB 4.06Å; M186-D494 PolarHBondContact N-OD2 2.94Å; M186-T496 HydrophobicContact CE-CG2 3.6Å; M186-T496 HydrophobicContact CG-CG2 4.3Å; M186-T496 HydrophobicContact SD-CG2 3.84Å; M186-F508 HydrophobicContact CE-CB 4.04Å; M186-F508 HydrophobicContact SD-CB 4.17Å; M186-L510 HydrophobicContact CB-CD2 4.17Å; M186-L510 HydrophobicContact CE-CB 3.97Å; M186-L510 HydrophobicContact CG-CD2 4.25Å; M186-L510 HydrophobicContact SD-CB 3.99Å; M186-L515 HydrophobicContact SD-CD1 3.77Å
187	T	97.3	Very high	90.2	Very high	17 Å²	17	36 Å²	36	10%	0.104	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	151.1	172.7	-170.9	0	0	0	0	109.8	M195 L196 M234 F236	T187-M195 WeakPolarHBondContact O-CA 3.19Å; T187-M195 WeakPolarHBondContact O-CG 3.4Å; T187-L196 HydrophobicContact CG2-CB 4.08Å; T187-L196 PolarHBondContact N-O 2.91Å; T187-L196 PolarHBondContact O-N 3.03Å; T187-M234 HydrophobicContact CG2-CB 4.16Å; T187-M234 HydrophobicContact CG2-CG 3.78Å; T187-M234 HydrophobicContact CG2-SD 4Å; T187-F236 HydrophobicContact CG2-CD2 3.59Å; T187-F236 HydrophobicContact CG2-CE2 3.68Å
188	I	96.9	Very high	91.2	Very high	22 Å²	22	35.6 Å²	35.6	11%	0.113	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.4	-176.1	-65.6	-178.9	0	0	0	108.9	P190 I194 M195 L215 F236 T496 Y498 F508	I188-P190 WeakPolarHBondContact O-CD 3.39Å; I188-I194 WeakPolarHBondContact CA-O 3.17Å; I188-M195 HydrophobicContact CD1-CG 4.45Å; I188-M195 HydrophobicContact CG1-CB 3.96Å; I188-M195 HydrophobicContact CG1-CG 3.74Å; I188-L215 HydrophobicContact CD1-CD1 4.18Å; I188-L215 HydrophobicContact CG1-CD1 4.37Å; I188-L215 HydrophobicContact CG2-CD1 3.73Å; I188-F236 VanDerWaalsContact C-CD2 3.42Å; I188-T496 HydrophobicContact CD1-CG2 3.54Å; I188-T496 HydrophobicContact CG1-CG2 4.14Å; I188-Y498 HydrophobicContact CG2-CD2 3.89Å; I188-Y498 HydrophobicContact CG2-CE2 4.49Å; I188-F508 HydrophobicContact CD1-CD2 3.89Å; I188-F508 HydrophobicContact CD1-CE2 4.18Å
189	H	96.2	Very high	92.1	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105.2	164	-172.3	-36	0	0	0	107.5	E191 K192 A193 I194 F236 G240 D241	H189-E191 PolarHBondContact O-N 3.18Å; H189-K192 HydrophobicContact CB-CB 4.45Å; H189-K192 PolarHBondContact ND1-N 2.87Å; H189-A193 PolarHBondContact O-N 2.94Å; H189-I194 HydrophobicContact CB-CD1 4.27Å; H189-I194 HydrophobicContact CB-CG1 3.63Å; H189-I194 PolarHBondContact N-O 2.79Å; H189-I194 PolarHBondContact O-N 2.73Å; H189-F236 HydrophobicContact CB-CD1 3.95Å; H189-F236 HydrophobicContact CB-CD2 3.87Å; H189-F236 HydrophobicContact CB-CE1 3.81Å; H189-F236 HydrophobicContact CB-CE2 3.72Å; H189-F236 HydrophobicContact CB-CG 3.98Å; H189-F236 HydrophobicContact CB-CZ 3.69Å; H189-F236 AromaticContact CD2-CD1 3.8Å; H189-F236 AromaticContact CD2-CE1 3.87Å; H189-G240 PolarHBondContact CE1-O 2.8Å; H189-G240 VanDerWaalsContact CE1-O 3.29Å; H189-G240 PolarHBondContact NE2-O 3.38Å; H189-G240 VanDerWaalsContact NE2-O 3.14Å; H189-D241 PolarHBondContact CD2-O 2.9Å; H189-D241 PolarHBondContact NE2-O 3.41Å; H189-D241 VanDerWaalsContact NE2-O 3.1Å
190	P	92.4	Very high	93	Very high	82 Å²	82	27.9 Å²	27.9	53%	0.532	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-44.4	-169.7	23.5	-32.7	0	0	0	112.4	I188 K192 A193 Y498	I188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-K192 PolarHBondContact O-N 2.71Å; P190-A193 PolarHBondContact O-N 2.81Å; P190-A193 VanDerWaalsContact O-N 3.13Å; P190-Y498 HydrophobicContact CB-CE2 4.4Å
191	E	91.2	Very high	93.1	Very high	156 Å²	156	29.8 Å²	29.8	73%	0.729	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-36.4	-176.1	-55.5	179.9	167	0	0	113.6	H189 A193	H189-E191 PolarHBondContact O-N 3.18Å; E191-A193 VanDerWaalsContact C-N 3.34Å
192	K	92.4	Very high	92.4	Very high	70 Å²	70	34.5 Å²	34.5	30%	0.304	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.4	175.3	-70.9	-167.6	179.3	-145.7	0	113.6	H189 P190 I194 S242 D259	H189-K192 HydrophobicContact CB-CB 4.45Å; H189-K192 PolarHBondContact ND1-N 2.87Å; P190-K192 PolarHBondContact O-N 2.71Å; K192-I194 HydrophobicContact CB-CD1 4.44Å; K192-I194 HydrophobicContact CB-CG1 4.04Å; K192-I194 HydrophobicContact CB-CG2 4.4Å; K192-I194 HydrophobicContact CD-CD1 4.47Å; K192-I194 PolarHBondContact O-N 2.71Å; K192-S242 WeakPolarHBondContact CE-OG 3.38Å; K192-S242 PolarHBondContact NZ-OG 3.38Å; K192-D259 IonicContact NZ-OD1 2.72Å; K192-D259 PolarHBondContact NZ-OD1 3.48Å; K192-D259 IonicContact NZ-OD2 3.96Å; K192-D259 PolarHBondContact NZ-OD2 3.13Å
193	A	94.4	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	45.1	-172.7	0	0	0	0	0	113	H189 P190 E191 L215 H216 Y498	H189-A193 PolarHBondContact O-N 2.94Å; P190-A193 PolarHBondContact O-N 2.81Å; P190-A193 VanDerWaalsContact O-N 3.13Å; E191-A193 VanDerWaalsContact C-N 3.34Å; A193-L215 HydrophobicContact CB-CB 4.16Å; A193-L215 WeakPolarHBondContact O-CB 3.4Å; A193-L215 WeakPolarHBondContact O-CG 3.45Å; A193-L215 PolarHBondContact O-N 2.66Å; A193-H216 WeakPolarHBondContact CB-CE1 3.42Å; A193-H216 WeakPolarHBondContact CB-NE2 3.17Å; A193-Y498 HydrophobicContact CB-CE1 4.4Å; A193-Y498 WeakPolarHBondContact CB-OH 3.49Å
194	I	95.6	Very high	89.4	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.2	175.2	61.4	170.3	0	0	0	110.2	I188 H189 K192 V213 F236 S258	I188-I194 WeakPolarHBondContact CA-O 3.17Å; H189-I194 HydrophobicContact CB-CD1 4.27Å; H189-I194 HydrophobicContact CB-CG1 3.63Å; H189-I194 PolarHBondContact N-O 2.79Å; H189-I194 PolarHBondContact O-N 2.73Å; K192-I194 HydrophobicContact CB-CD1 4.44Å; K192-I194 HydrophobicContact CB-CG1 4.04Å; K192-I194 HydrophobicContact CB-CG2 4.4Å; K192-I194 HydrophobicContact CD-CD1 4.47Å; K192-I194 PolarHBondContact O-N 2.71Å; I194-V213 WeakPolarHBondContact CA-O 3.35Å; I194-F236 HydrophobicContact CD1-CE1 4.25Å; I194-F236 HydrophobicContact CD1-CZ 3.9Å; I194-F236 HydrophobicContact CG1-CZ 4.11Å; I194-S258 WeakPolarHBondContact CD1-OG 3.33Å
195	M	96.5	Very high	88	Confident	2 Å²	2	52 Å²	52	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.7	171.3	-176	-167.7	68.3	0	0	109.8	M186 T187 I188 K212 V213 L215 L515	M186-M195 HydrophobicContact CB-CG 4.39Å; M186-M195 HydrophobicContact CB-SD 4.31Å; M186-M195 HydrophobicContact SD-SD 3.83Å; T187-M195 WeakPolarHBondContact O-CA 3.19Å; T187-M195 WeakPolarHBondContact O-CG 3.4Å; I188-M195 HydrophobicContact CD1-CG 4.45Å; I188-M195 HydrophobicContact CG1-CB 3.96Å; I188-M195 HydrophobicContact CG1-CG 3.74Å; M195-K212 WeakPolarHBondContact O-CA 3.47Å; M195-V213 HydrophobicContact CB-CB 4.44Å; M195-V213 HydrophobicContact CE-CB 3.8Å; M195-V213 HydrophobicContact CE-CG1 4.34Å; M195-V213 HydrophobicContact CE-CG2 3.72Å; M195-V213 PolarHBondContact N-O 3.22Å; M195-V213 PolarHBondContact O-N 2.85Å; M195-L215 HydrophobicContact CB-CD1 4.27Å; M195-L215 HydrophobicContact CB-CD2 3.83Å; M195-L215 HydrophobicContact CB-CG 4.21Å; M195-L515 HydrophobicContact CE-CD1 3.83Å; M195-L515 HydrophobicContact CE-CD2 3.13Å; M195-L515 HydrophobicContact CE-CG 4.05Å; M195-L515 HydrophobicContact SD-CD1 3.79Å; M195-L515 HydrophobicContact SD-CD2 3.85Å; M195-L515 HydrophobicContact SD-CG 4.46Å
196	L	97.3	Very high	86.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.3	168.3	-61.9	178.9	0	0	0	109.3	M186 T187 A211 K212 M234 F236 F244 F261	M186-L196 CarbonylContact C-O 3.45Å; M186-L196 WeakPolarHBondContact CA-O 3.34Å; M186-L196 WeakPolarHBondContact CB-O 3.49Å; T187-L196 HydrophobicContact CG2-CB 4.08Å; T187-L196 PolarHBondContact N-O 2.91Å; T187-L196 PolarHBondContact O-N 3.03Å; L196-A211 CarbonylContact C-O 3.48Å; L196-A211 VanDerWaalsContact CA-O 3.29Å; L196-A211 WeakPolarHBondContact CA-O 3.42Å; L196-K212 HydrophobicContact CD2-CB 3.84Å; L196-K212 HydrophobicContact CD2-CG 4.13Å; L196-M234 HydrophobicContact CB-SD 4.32Å; L196-F236 HydrophobicContact CD1-CE1 4.09Å; L196-F236 HydrophobicContact CD1-CE2 3.99Å; L196-F236 HydrophobicContact CD1-CZ 3.45Å; L196-F236 VanDerWaalsContact CD1-CZ 3.45Å; L196-F236 HydrophobicContact CG-CE2 4.02Å; L196-F236 HydrophobicContact CG-CZ 3.69Å; L196-F244 HydrophobicContact CD1-CB 4.27Å; L196-F244 HydrophobicContact CD1-CD1 3.61Å; L196-F244 HydrophobicContact CD1-CD2 3.63Å; L196-F244 HydrophobicContact CD1-CE1 3.72Å; L196-F244 HydrophobicContact CD1-CE2 3.74Å; L196-F244 HydrophobicContact CD1-CG 3.56Å; L196-F244 HydrophobicContact CD1-CZ 3.78Å; L196-F261 HydrophobicContact CD2-CE1 4.12Å; L196-F261 HydrophobicContact CD2-CZ 4.1Å
197	S	96.5	Very high	86.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.6	170.8	-177.7	0	0	0	0	110.5	V185 A210 A211 L510	V185-S197 CarbonylContact O-C 3.56Å; V185-S197 VanDerWaalsContact O-CA 3.31Å; V185-S197 WeakPolarHBondContact O-CA 3.38Å; V185-S197 PolarHBondContact O-OG 2.81Å; S197-A210 CarbonylContact O-C 3.19Å; S197-A210 WeakPolarHBondContact O-CA 3.29Å; S197-A211 PolarHBondContact N-O 2.87Å; S197-A211 PolarHBondContact O-N 3.18Å; S197-L510 WeakPolarHBondContact OG-CD1 3.21Å; S197-L510 WeakPolarHBondContact OG-CD2 3.24Å
198	S	96.2	Very high	86.3	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.9	172.1	64.4	0	0	0	0	109.9	L183 R184 V185 S209	L183-S198 VanDerWaalsContact CA-O 3.3Å; L183-S198 WeakPolarHBondContact CA-O 3.37Å; L183-S198 WeakPolarHBondContact CD2-O 3.34Å; R184-S198 PolarHBondContact N-OG 2.85Å; V185-S198 WeakPolarHBondContact CG2-OG 3.3Å; V185-S198 PolarHBondContact N-OG 2.81Å; V185-S198 PolarHBondContact O-N 2.81Å; V185-S198 PolarHBondContact O-OG 2.82Å; S198-S209 CarbonylContact C-O 3.5Å; S198-S209 WeakPolarHBondContact CA-O 3.42Å
199	C	93.5	Very high	86.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.3	174.3	59.2	0	0	0	0	112.3	H180 L183 Y208 S209	H180-C199 HydrophobicContact CB-CB 3.86Å; H180-C199 PolarHBondContact ND1-SG 3.2Å; L183-C199 HydrophobicContact CD2-CB 3.55Å; C199-Y208 CarbonylContact O-C 3.54Å; C199-Y208 WeakPolarHBondContact O-CA 3.47Å; C199-S209 PolarHBondContact N-O 2.86Å; C199-S209 PolarHBondContact O-N 3.31Å; C199-S209 VanDerWaalsContact SG-CB 3.57Å
200	H	89.4	Confident	86.1	Confident	42 Å²	42	57 Å²	57	19%	0.194	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.6	172.4	177.8	-101.7	0	0	0	109.8	I181 E182 G207 Y208	I181-H200 WeakPolarHBondContact CG1-O 3.4Å; I181-H200 PolarHBondContact N-O 2.88Å; I181-H200 PolarHBondContact O-N 3.49Å; E182-H200 HydrophobicContact CB-CB 4.13Å; E182-H200 HydrophobicContact CG-CB 4.49Å; H200-G207 PolarHBondContact CD2-O 3.48Å; H200-Y208 HydrophobicContact CB-CD1 3.91Å; H200-Y208 HydrophobicContact CB-CE1 3.8Å; H200-Y208 AromaticContact CD2-CE2 3.98Å; H200-Y208 AromaticContact CD2-CZ 3.9Å
201	F	76.7	Confident	86.2	Confident	55 Å²	55	53.1 Å²	53.1	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	-178.9	-165.4	-100.9	0	0	0	111.3	G179 H180 K203 F205	G179-F201 WeakPolarHBondContact O-CD2 3.05Å; H180-F201 AromaticContact CE1-CD2 3.74Å; H180-F201 AromaticContact ND1-CD2 3.78Å; F201-K203 HydrophobicContact CD1-CB 4.41Å; F201-K203 HydrophobicContact CE1-CB 3.74Å; F201-K203 HydrophobicContact CZ-CB 4.34Å; F201-F205 HydrophobicContact CD1-CD2 4.18Å; F201-F205 HydrophobicContact CE1-CD2 4.3Å
202	Q	67.3	Low	86.4	Confident	138 Å²	138	47 Å²	47	65%	0.645	22%	0.222	S	C	*	.			trans	-77.9	-28.6	-170	-166.7	177.8	-12.8	0	0	114.3	I181	I181-Q202 HydrophobicContact CD1-CB 3.87Å; I181-Q202 HydrophobicContact CD1-CG 3.97Å; I181-Q202 HydrophobicContact CG1-CB 4.23Å
203	K	61	Low	86.5	Confident	159 Å²	159	43.7 Å²	43.7	69%	0.691	21%	0.208	S	C	*	.	S	Bend	trans	-82.2	-45	-156.8	-90.5	-178.5	177.6	177	0	116	F201	F201-K203 HydrophobicContact CD1-CB 4.41Å; F201-K203 HydrophobicContact CE1-CB 3.74Å; F201-K203 HydrophobicContact CZ-CB 4.34Å
204	F	59.3	Low	86.5	Confident	179 Å²	179	45.5 Å²	45.5	79%	0.785	22%	0.218	S	C	*	.	S	Bend	trans	-156.1	-1.6	-175	-68.8	-72.1	0	0	0	116.3
205	F	63.3	Low	86.4	Confident	141 Å²	141	45.1 Å²	45.1	62%	0.618	22%	0.215	S	C	*	.			trans	-120.1	115.6	-175.1	-62.3	-73.7	0	0	0	110.3	F201 G207	F201-F205 HydrophobicContact CD1-CD2 4.18Å; F201-F205 HydrophobicContact CE1-CD2 4.3Å; F205-G207 PolarHBondContact O-N 3.32Å
206	P	74.5	Confident	86.1	Confident	124 Å²	124	50 Å²	50	81%	0.805	24%	0.238	S	C	*	.			trans	-69.5	117.5	171.9	28.4	-31.2	0	0	0	108.6
207	G	88.5	Confident	85.7	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.031	26%	0.262	C	S	.	.			trans	164.3	152.8	176.8	0	0	0	0	0	113.9	H200 F205 H227	H200-G207 PolarHBondContact CD2-O 3.48Å; F205-G207 PolarHBondContact O-N 3.32Å; G207-H227 WeakPolarHBondContact CA-O 3.29Å
208	Y	93.9	Very high	85.4	Confident	30 Å²	30	54 Å²	54	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.8	173.5	-71.2	-95.4	0	0	0	109.1	E182 C199 H200 L226 H227 M229 R230	E182-Y208 PolarHBondContact OE2-OH 3.43Å; C199-Y208 CarbonylContact O-C 3.54Å; C199-Y208 WeakPolarHBondContact O-CA 3.47Å; H200-Y208 HydrophobicContact CB-CD1 3.91Å; H200-Y208 HydrophobicContact CB-CE1 3.8Å; H200-Y208 AromaticContact CD2-CE2 3.98Å; H200-Y208 AromaticContact CD2-CZ 3.9Å; Y208-L226 PolarHBondContact O-N 3.11Å; Y208-H227 PolarHBondContact N-O 2.82Å; Y208-H227 PolarHBondContact O-N 3.06Å; Y208-M229 WeakPolarHBondContact CB-O 3.01Å; Y208-M229 VanDerWaalsContact CD2-CA 3.42Å; Y208-M229 WeakPolarHBondContact CD2-O 3.26Å; Y208-R230 HydrophobicContact CD1-CB 4.19Å; Y208-R230 HydrophobicContact CD1-CG 4.26Å; Y208-R230 VanDerWaalsContact CD2-N 3.31Å; Y208-R230 HydrophobicContact CE1-CB 3.74Å; Y208-R230 HydrophobicContact CE1-CG 3.85Å; Y208-R230 HydrophobicContact CE2-CB 4.28Å
209	S	93.7	Very high	85.2	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	164.4	-169.5	-61.2	0	0	0	0	111.4	S198 C199 S224 V225 I231	S198-S209 CarbonylContact C-O 3.5Å; S198-S209 WeakPolarHBondContact CA-O 3.42Å; C199-S209 PolarHBondContact N-O 2.86Å; C199-S209 PolarHBondContact O-N 3.31Å; C199-S209 VanDerWaalsContact SG-CB 3.57Å; S209-S224 CarbonylContact C-O 3.48Å; S209-S224 WeakPolarHBondContact CA-O 3.49Å; S209-S224 WeakPolarHBondContact CB-O 3.44Å; S209-S224 PolarHBondContact OG-O 3.13Å; S209-V225 WeakPolarHBondContact OG-CA 3.35Å; S209-V225 VanDerWaalsContact OG-CG2 3.32Å; S209-V225 WeakPolarHBondContact OG-CG2 3.37Å; S209-V225 PolarHBondContact OG-N 2.85Å; S209-I231 WeakPolarHBondContact O-CD1 3.29Å
210	A	95.2	Very high	85	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.2	160	0	0	0	0	0	109	S197 S223 S224 L226 F244 F261	S197-A210 CarbonylContact O-C 3.19Å; S197-A210 WeakPolarHBondContact O-CA 3.29Å; A210-S223 WeakPolarHBondContact O-CA 3.35Å; A210-S223 VanDerWaalsContact O-CB 3.24Å; A210-S223 WeakPolarHBondContact O-CB 3.45Å; A210-S224 PolarHBondContact N-O 3.03Å; A210-S224 PolarHBondContact O-N 3.2Å; A210-L226 HydrophobicContact CB-CD1 3.52Å; A210-L226 HydrophobicContact CB-CG 4.22Å; A210-F244 HydrophobicContact CB-CE2 4.4Å; A210-F261 HydrophobicContact CB-CE1 3.91Å; A210-F261 WeakPolarHBondContact O-CZ 3.28Å
211	A	94.3	Very high	85.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.9	171.1	0	0	0	0	0	110	V177 L196 S197 Y220	V177-A211 HydrophobicContact CG1-CB 3.65Å; L196-A211 CarbonylContact C-O 3.48Å; L196-A211 VanDerWaalsContact CA-O 3.29Å; L196-A211 WeakPolarHBondContact CA-O 3.42Å; S197-A211 PolarHBondContact N-O 2.87Å; S197-A211 PolarHBondContact O-N 3.18Å; A211-Y220 HydrophobicContact CB-CD2 4.18Å; A211-Y220 HydrophobicContact CB-CE2 3.71Å
212	K	95.4	Very high	85.7	Confident	26 Å²	26	63 Å²	63	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.5	176.7	-175.7	174.8	-177.6	172	0	110.2	M195 L196 V221 G222 S258 F261	M195-K212 WeakPolarHBondContact O-CA 3.47Å; L196-K212 HydrophobicContact CD2-CB 3.84Å; L196-K212 HydrophobicContact CD2-CG 4.13Å; K212-V221 HydrophobicContact CB-CB 4.41Å; K212-V221 HydrophobicContact CD-CB 4.42Å; K212-V221 HydrophobicContact CD-CG1 4.42Å; K212-V221 HydrophobicContact CG-CB 4.2Å; K212-V221 PolarHBondContact O-N 3.4Å; K212-G222 PolarHBondContact N-O 3.2Å; K212-S258 PolarHBondContact NZ-O 3.17Å; K212-F261 HydrophobicContact CB-CE2 4.23Å; K212-F261 HydrophobicContact CB-CZ 3.89Å
213	V	94.3	Very high	86.9	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131	173.5	178.8	0	0	0	0	107.9	I175 I194 M195 L215 Q219	I175-V213 HydrophobicContact CD1-CG1 3.93Å; I194-V213 WeakPolarHBondContact CA-O 3.35Å; M195-V213 HydrophobicContact CB-CB 4.44Å; M195-V213 HydrophobicContact CE-CB 3.8Å; M195-V213 HydrophobicContact CE-CG1 4.34Å; M195-V213 HydrophobicContact CE-CG2 3.72Å; M195-V213 PolarHBondContact N-O 3.22Å; M195-V213 PolarHBondContact O-N 2.85Å; V213-L215 HydrophobicContact CG1-CD2 4.46Å; V213-Q219 WeakPolarHBondContact CA-O 2.94Å
214	D	93.6	Very high	88.4	Confident	38 Å²	38	52.8 Å²	52.8	20%	0.203	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.4	171.2	175.9	-62.5	0	0	0	108.6	H216 T217 M218 Q219 V221	D214-H216 WeakPolarHBondContact OD1-CA 3.22Å; D214-H216 VanDerWaalsContact OD1-CB 3.31Å; D214-H216 WeakPolarHBondContact OD1-CB 3.42Å; D214-H216 IonicContact OD1-CG 3.65Å; D214-H216 PolarHBondContact OD1-N 3.08Å; D214-H216 IonicContact OD1-ND1 2.79Å; D214-T217 WeakPolarHBondContact CB-OG1 3.17Å; D214-T217 VanDerWaalsContact CG-OG1 3.31Å; D214-T217 PolarHBondContact OD1-N 2.9Å; D214-T217 PolarHBondContact OD1-OG1 3.05Å; D214-M218 WeakPolarHBondContact O-CA 3.31Å; D214-M218 PolarHBondContact O-N 3.47Å; D214-Q219 PolarHBondContact N-O 2.88Å; D214-Q219 PolarHBondContact O-N 2.79Å; D214-V221 HydrophobicContact CB-CG2 3.57Å
215	L	93.1	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8	-174.8	-57.8	178.4	0	0	0	113.5	I188 A193 M195 V213 M218 Y498 R500 F508	I188-L215 HydrophobicContact CD1-CD1 4.18Å; I188-L215 HydrophobicContact CG1-CD1 4.37Å; I188-L215 HydrophobicContact CG2-CD1 3.73Å; A193-L215 HydrophobicContact CB-CB 4.16Å; A193-L215 WeakPolarHBondContact O-CB 3.4Å; A193-L215 WeakPolarHBondContact O-CG 3.45Å; A193-L215 PolarHBondContact O-N 2.66Å; M195-L215 HydrophobicContact CB-CD1 4.27Å; M195-L215 HydrophobicContact CB-CD2 3.83Å; M195-L215 HydrophobicContact CB-CG 4.21Å; V213-L215 HydrophobicContact CG1-CD2 4.46Å; L215-M218 HydrophobicContact CD2-SD 4.42Å; L215-Y498 HydrophobicContact CB-CD1 4.17Å; L215-Y498 HydrophobicContact CB-CE1 3.86Å; L215-Y498 HydrophobicContact CD1-CD1 3.77Å; L215-Y498 HydrophobicContact CD1-CD2 4.08Å; L215-Y498 HydrophobicContact CD1-CE1 3.97Å; L215-Y498 HydrophobicContact CD1-CE2 4.31Å; L215-Y498 HydrophobicContact CD1-CG 3.83Å; L215-R500 PolarHBondContact O-NH1 2.96Å; L215-F508 HydrophobicContact CD2-CE1 4.22Å; L215-F508 HydrophobicContact CD2-CE2 4.09Å; L215-F508 HydrophobicContact CD2-CZ 3.62Å
216	H	90.5	Very high	91.6	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.486	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-49.1	170.7	-59.4	112.8	0	0	0	110.3	A193 D214	A193-H216 WeakPolarHBondContact CB-CE1 3.42Å; A193-H216 WeakPolarHBondContact CB-NE2 3.17Å; D214-H216 WeakPolarHBondContact OD1-CA 3.22Å; D214-H216 VanDerWaalsContact OD1-CB 3.31Å; D214-H216 WeakPolarHBondContact OD1-CB 3.42Å; D214-H216 IonicContact OD1-CG 3.65Å; D214-H216 PolarHBondContact OD1-N 3.08Å; D214-H216 IonicContact OD1-ND1 2.79Å
217	T	90.3	Very high	92.6	Very high	81 Å²	81	35.7 Å²	35.7	50%	0.497	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.9	-177.3	61.6	0	0	0	0	113.2	D214 Q219	D214-T217 WeakPolarHBondContact CB-OG1 3.17Å; D214-T217 VanDerWaalsContact CG-OG1 3.31Å; D214-T217 PolarHBondContact OD1-N 2.9Å; D214-T217 PolarHBondContact OD1-OG1 3.05Å; T217-Q219 WeakPolarHBondContact O-CG 3.09Å; T217-Q219 PolarHBondContact O-N 2.81Å; T217-Q219 PolarHBondContact O-NE2 3.45Å; T217-Q219 PolarHBondContact OG1-N 2.93Å
218	M	90	Very high	92.9	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.03	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.3	-175.3	-61.6	-66.9	-71.7	0	0	112.3	E173 I175 D214 L215 L506 F508 S517	E173-M218 WeakPolarHBondContact OE2-CB 3.39Å; E173-M218 WeakPolarHBondContact OE2-CG 3.47Å; I175-M218 HydrophobicContact CD1-CB 4.05Å; I175-M218 HydrophobicContact CD1-CE 3.76Å; I175-M218 VanDerWaalsContact CD1-O 3.22Å; I175-M218 WeakPolarHBondContact CD1-O 3.44Å; I175-M218 WeakPolarHBondContact CG1-O 3.47Å; D214-M218 WeakPolarHBondContact O-CA 3.31Å; D214-M218 PolarHBondContact O-N 3.47Å; L215-M218 HydrophobicContact CD2-SD 4.42Å; M218-L506 HydrophobicContact SD-CD1 4.34Å; M218-F508 HydrophobicContact CE-CE1 3.58Å; M218-F508 HydrophobicContact CE-CZ 3.9Å; M218-F508 HydrophobicContact SD-CE1 4.31Å; M218-F508 HydrophobicContact SD-CZ 4.11Å; M218-S517 WeakPolarHBondContact CE-OG 3.22Å
219	Q	91	Very high	92.9	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.1	-178.8	-63.9	-52.8	-54.1	0	0	112.2	V213 D214 T217 V221	V213-Q219 WeakPolarHBondContact CA-O 2.94Å; D214-Q219 PolarHBondContact N-O 2.88Å; D214-Q219 PolarHBondContact O-N 2.79Å; T217-Q219 WeakPolarHBondContact O-CG 3.09Å; T217-Q219 PolarHBondContact O-N 2.81Å; T217-Q219 PolarHBondContact O-NE2 3.45Å; T217-Q219 PolarHBondContact OG1-N 2.93Å; Q219-V221 PolarHBondContact O-N 3.43Å
220	Y	89.6	Confident	93	Very high	62 Å²	62	47.9 Å²	47.9	24%	0.243	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.2	167	170.5	-94.3	0	0	0	109.9	V177 H180 A211 G222 S223	V177-Y220 HydrophobicContact CG1-CD2 3.66Å; V177-Y220 HydrophobicContact CG1-CE2 3.62Å; H180-Y220 AromaticContact NE2-CZ 3.96Å; H180-Y220 PolarHBondContact NE2-OH 2.98Å; A211-Y220 HydrophobicContact CB-CD2 4.18Å; A211-Y220 HydrophobicContact CB-CE2 3.71Å; Y220-G222 VanDerWaalsContact CE2-O 3.23Å; Y220-G222 WeakPolarHBondContact CE2-O 3.42Å; Y220-S223 WeakPolarHBondContact OH-CB 3.46Å; Y220-S223 PolarHBondContact OH-N 3.35Å; Y220-S223 VanDerWaalsContact OH-N 3.17Å; Y220-S223 PolarHBondContact OH-OG 3.22Å
221	V	90.8	Very high	93.1	Very high	87 Å²	87	47.9 Å²	47.9	53%	0.527	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-41.1	-176.2	-179.2	0	0	0	0	111.3	K212 D214 Q219	K212-V221 HydrophobicContact CB-CB 4.41Å; K212-V221 HydrophobicContact CD-CB 4.42Å; K212-V221 HydrophobicContact CD-CG1 4.42Å; K212-V221 HydrophobicContact CG-CB 4.2Å; K212-V221 PolarHBondContact O-N 3.4Å; D214-V221 HydrophobicContact CB-CG2 3.57Å; Q219-V221 PolarHBondContact O-N 3.43Å
222	G	90.4	Very high	93.3	Very high	20 Å²	20	49.2 Å²	49.2	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	177.5	-174.2	0	0	0	0	0	112.6	K212 Y220	K212-G222 PolarHBondContact N-O 3.2Å; Y220-G222 VanDerWaalsContact CE2-O 3.23Å; Y220-G222 WeakPolarHBondContact CE2-O 3.42Å
223	S	91.8	Very high	93.4	Very high	43 Å²	43	48 Å²	48	30%	0.301	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.2	174.8	59.4	0	0	0	0	111.2	H180 A210 Y220	H180-S223 PolarHBondContact CE1-OG 3.29Å; H180-S223 PolarHBondContact NE2-OG 3.11Å; A210-S223 WeakPolarHBondContact O-CA 3.35Å; A210-S223 VanDerWaalsContact O-CB 3.24Å; A210-S223 WeakPolarHBondContact O-CB 3.45Å; Y220-S223 WeakPolarHBondContact OH-CB 3.46Å; Y220-S223 PolarHBondContact OH-N 3.35Å; Y220-S223 VanDerWaalsContact OH-N 3.17Å; Y220-S223 PolarHBondContact OH-OG 3.22Å
224	S	92.7	Very high	93.6	Very high	39 Å²	39	48 Å²	48	27%	0.273	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.6	173.2	-174.2	0	0	0	0	110.8	S209 A210 L226	S209-S224 CarbonylContact C-O 3.48Å; S209-S224 WeakPolarHBondContact CA-O 3.49Å; S209-S224 WeakPolarHBondContact CB-O 3.44Å; S209-S224 PolarHBondContact OG-O 3.13Å; A210-S224 PolarHBondContact N-O 3.03Å; A210-S224 PolarHBondContact O-N 3.2Å; S224-L226 PolarHBondContact O-N 3.35Å
225	V	93.5	Very high	93.8	Very high	78 Å²	78	47.8 Å²	47.8	47%	0.473	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.3	175.5	178.6	0	0	0	0	108.8	S209	S209-V225 WeakPolarHBondContact OG-CA 3.35Å; S209-V225 VanDerWaalsContact OG-CG2 3.32Å; S209-V225 WeakPolarHBondContact OG-CG2 3.37Å; S209-V225 PolarHBondContact OG-N 2.85Å
226	L	95.7	Very high	94	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-36.5	-176.3	-52.6	-171.9	0	0	0	112.2	Y208 A210 S224 I231 F244 T246 K254 F261	Y208-L226 PolarHBondContact O-N 3.11Å; A210-L226 HydrophobicContact CB-CD1 3.52Å; A210-L226 HydrophobicContact CB-CG 4.22Å; S224-L226 PolarHBondContact O-N 3.35Å; L226-I231 HydrophobicContact CB-CD1 4.45Å; L226-F244 HydrophobicContact CD1-CE2 3.65Å; L226-F244 HydrophobicContact CD1-CZ 3.91Å; L226-T246 HydrophobicContact CD1-CG2 3.93Å; L226-K254 WeakPolarHBondContact O-CD 3.33Å; L226-K254 WeakPolarHBondContact O-CE 3.31Å; L226-K254 PolarHBondContact O-NZ 3.27Å; L226-F261 HydrophobicContact CD2-CD1 4.33Å
227	H	96.1	Very high	94.3	Very high	2 Å²	2	44 Å²	44	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.8	-171.3	-76.6	-86	0	0	0	111.8	G207 Y208 M229 I231 T246 S248 D250 L252	G207-H227 WeakPolarHBondContact CA-O 3.29Å; Y208-H227 PolarHBondContact N-O 2.82Å; Y208-H227 PolarHBondContact O-N 3.06Å; H227-M229 WeakPolarHBondContact CB-O 3.33Å; H227-I231 HydrophobicContact CB-CG1 4.11Å; H227-T246 PolarHBondContact NE2-OG1 3.05Å; H227-S248 VanDerWaalsContact CG-CB 3.48Å; H227-S248 WeakPolarHBondContact ND1-CB 3.19Å; H227-D250 WeakPolarHBondContact CA-OD2 3.38Å; H227-D250 VanDerWaalsContact CB-OD2 3.23Å; H227-D250 WeakPolarHBondContact CB-OD2 3.47Å; H227-D250 IonicContact CE1-OD1 3.26Å; H227-D250 IonicContact CG-OD2 2.95Å; H227-D250 VanDerWaalsContact ND1-CG 3.34Å; H227-D250 IonicContact ND1-OD1 2.88Å; H227-D250 PolarHBondContact ND1-OD1 2.85Å; H227-D250 VanDerWaalsContact ND1-OD1 3.11Å; H227-D250 IonicContact ND1-OD2 3.8Å; H227-D250 PolarHBondContact ND1-OD2 3.26Å; H227-L252 PolarHBondContact CE1-O 3.29Å
228	T	94	Very high	94.5	Very high	96 Å²	96	42.9 Å²	42.9	59%	0.589	23%	0.232	S	C	*	.	S	Bend	trans	-86.8	-20.7	176.8	56.7	0	0	0	0	112.3	D250	T228-D250 PolarHBondContact N-OD2 2.87Å; T228-D250 VanDerWaalsContact N-OD2 3.13Å; T228-D250 WeakPolarHBondContact OG1-CB 3.37Å
229	M	95.4	Very high	94.6	Very high	98 Å²	98	46.3 Å²	46.3	48%	0.483	25%	0.253	S	S	.	.	S	Bend	trans	-126.5	174.1	176.2	-59.9	-85.1	90.2	0	0	111	Y208 H227 I231 S248 M249 D250	Y208-M229 WeakPolarHBondContact CB-O 3.01Å; Y208-M229 VanDerWaalsContact CD2-CA 3.42Å; Y208-M229 WeakPolarHBondContact CD2-O 3.26Å; H227-M229 WeakPolarHBondContact CB-O 3.33Å; M229-I231 PolarHBondContact O-N 2.85Å; M229-S248 VanDerWaalsContact C-OG 3.22Å; M229-S248 PolarHBondContact O-OG 3.48Å; M229-M249 HydrophobicContact CB-CB 3.91Å; M229-D250 HydrophobicContact CB-CB 3.87Å; M229-D250 HydrophobicContact CG-CB 3.93Å
230	R	95.4	Very high	94.6	Very high	97 Å²	97	41.7 Å²	41.7	37%	0.366	24%	0.238	S	C	.	.			trans	-55.9	123.9	-170	-170.4	-179.9	-61.9	109.3	0.8	113	E182 Y208 R232 S248 M249	E182-R230 IonicContact OE2-NH2 3.69Å; Y208-R230 HydrophobicContact CD1-CB 4.19Å; Y208-R230 HydrophobicContact CD1-CG 4.26Å; Y208-R230 VanDerWaalsContact CD2-N 3.31Å; Y208-R230 HydrophobicContact CE1-CB 3.74Å; Y208-R230 HydrophobicContact CE1-CG 3.85Å; Y208-R230 HydrophobicContact CE2-CB 4.28Å; R230-R232 PolarHBondContact O-N 3.45Å; R230-S248 WeakPolarHBondContact O-CA 3.48Å; R230-S248 PolarHBondContact O-OG 3.1Å; R230-S248 VanDerWaalsContact O-OG 3.06Å; R230-M249 HydrophobicContact CB-CG 4.14Å; R230-M249 PolarHBondContact O-N 3.42Å
231	I	97.9	Very high	94.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.6	169.4	-60.6	169	0	0	0	108.6	V185 S209 L226 H227 M229 D233 M234 C247	V185-I231 HydrophobicContact CG2-CG2 4.24Å; S209-I231 WeakPolarHBondContact O-CD1 3.29Å; L226-I231 HydrophobicContact CB-CD1 4.45Å; H227-I231 HydrophobicContact CB-CG1 4.11Å; M229-I231 PolarHBondContact O-N 2.85Å; I231-D233 WeakPolarHBondContact CG2-O 3.38Å; I231-M234 HydrophobicContact CG2-CE 3.91Å; I231-C247 CarbonylContact C-O 3.54Å; I231-C247 WeakPolarHBondContact CA-O 3.39Å
232	R	97.7	Very high	94.8	Very high	28 Å²	28	38.3 Å²	38.3	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-29.4	-175.7	-78.3	-64.3	-60.7	170.7	-1.9	113.3	V185 R230 C247 M249 V273 W274 R437	V185-R232 WeakPolarHBondContact CG1-O 3.29Å; R230-R232 PolarHBondContact O-N 3.45Å; R232-C247 PolarHBondContact N-O 2.76Å; R232-M249 HydrophobicContact CG-CE 4.14Å; R232-M249 HydrophobicContact CG-CG 3.99Å; R232-M249 HydrophobicContact CG-SD 3.65Å; R232-V273 WeakPolarHBondContact CB-O 3.24Å; R232-W274 WeakPolarHBondContact CB-O 3.19Å; R232-R437 PolarHBondContact O-NH2 2.84Å
233	D	98.4	Very high	95.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155.5	179.8	-155.7	5.8	0	0	0	111	I231 T246 C247 S275 C276 R437	I231-D233 WeakPolarHBondContact CG2-O 3.38Å; D233-T246 WeakPolarHBondContact O-CA 3.27Å; D233-C247 WeakPolarHBondContact CB-SG 3.45Å; D233-C247 PolarHBondContact O-N 2.81Å; D233-S275 VanDerWaalsContact OD2-CA 3.29Å; D233-S275 WeakPolarHBondContact OD2-CA 3.45Å; D233-S275 WeakPolarHBondContact OD2-CB 3.46Å; D233-C276 PolarHBondContact OD2-N 2.82Å; D233-R437 IonicContact OD1-CZ 3.85Å; D233-R437 VanDerWaalsContact OD1-CZ 3.26Å; D233-R437 IonicContact OD1-NH1 3.69Å; D233-R437 PolarHBondContact OD1-NH1 2.97Å; D233-R437 IonicContact OD1-NH2 2.88Å; D233-R437 PolarHBondContact OD1-NH2 3.47Å; D233-R437 IonicContact OD2-NH2 2.74Å
234	M	98	Very high	95.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	140.6	174.9	57.5	-178.2	49.4	0	0	111.3	V185 T187 L196 I231 L245 T246	V185-M234 HydrophobicContact CB-CG 4.35Å; V185-M234 HydrophobicContact CG2-CE 3.88Å; V185-M234 HydrophobicContact CG2-CG 3.86Å; V185-M234 HydrophobicContact CG2-SD 4.1Å; T187-M234 HydrophobicContact CG2-CB 4.16Å; T187-M234 HydrophobicContact CG2-CG 3.78Å; T187-M234 HydrophobicContact CG2-SD 4Å; L196-M234 HydrophobicContact CB-SD 4.32Å; I231-M234 HydrophobicContact CG2-CE 3.91Å; M234-L245 CarbonylContact C-O 3.53Å; M234-L245 WeakPolarHBondContact CA-O 3.23Å; M234-T246 HydrophobicContact CB-CG2 4.08Å
235	Q	97.7	Very high	95.7	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.6	178	-165.1	177.1	-15.8	0	0	110.2	F244 L245 C277	Q235-F244 CarbonylContact O-C 3.49Å; Q235-F244 WeakPolarHBondContact O-CA 3.48Å; Q235-L245 PolarHBondContact N-O 3.09Å; Q235-L245 PolarHBondContact O-N 3.34Å; Q235-C277 VanDerWaalsContact OE1-CB 3.32Å
236	F	97.9	Very high	96	Very high	15 Å²	15	30.9 Å²	30.9	7%	0.066	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151	167.1	-82.9	-78.4	0	0	0	111.6	T187 I188 H189 I194 L196 T243 F244	T187-F236 HydrophobicContact CG2-CD2 3.59Å; T187-F236 HydrophobicContact CG2-CE2 3.68Å; I188-F236 VanDerWaalsContact C-CD2 3.42Å; H189-F236 HydrophobicContact CB-CD1 3.95Å; H189-F236 HydrophobicContact CB-CD2 3.87Å; H189-F236 HydrophobicContact CB-CE1 3.81Å; H189-F236 HydrophobicContact CB-CE2 3.72Å; H189-F236 HydrophobicContact CB-CG 3.98Å; H189-F236 HydrophobicContact CB-CZ 3.69Å; H189-F236 AromaticContact CD2-CD1 3.8Å; H189-F236 AromaticContact CD2-CE1 3.87Å; I194-F236 HydrophobicContact CD1-CE1 4.25Å; I194-F236 HydrophobicContact CD1-CZ 3.9Å; I194-F236 HydrophobicContact CG1-CZ 4.11Å; L196-F236 HydrophobicContact CD1-CE1 4.09Å; L196-F236 HydrophobicContact CD1-CE2 3.99Å; L196-F236 HydrophobicContact CD1-CZ 3.45Å; L196-F236 VanDerWaalsContact CD1-CZ 3.45Å; L196-F236 HydrophobicContact CG-CE2 4.02Å; L196-F236 HydrophobicContact CG-CZ 3.69Å; F236-T243 WeakPolarHBondContact CD1-O 3.38Å; F236-F244 HydrophobicContact CD1-CB 3.79Å; F236-F244 HydrophobicContact CE1-CB 4Å; F236-F244 HydrophobicContact CE1-CD1 4.43Å; F236-F244 HydrophobicContact CG-CB 4.23Å
237	C	96.6	Very high	96.1	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.068	17%	0.169	C	C	.	.			trans	-61.6	134.1	171.5	-170.4	0	0	0	0	109.9	T239 G240 D241 T243 Y278	C237-T239 PolarHBondContact O-N 2.74Å; C237-T239 PolarHBondContact SG-OG1 3.05Å; C237-G240 PolarHBondContact O-N 2.57Å; C237-D241 VanDerWaalsContact CB-OD1 3.24Å; C237-D241 WeakPolarHBondContact CB-OD1 3.29Å; C237-D241 PolarHBondContact SG-OD2 3.31Å; C237-T243 WeakPolarHBondContact CB-O 3.43Å; C237-T243 VanDerWaalsContact CB-OG1 3.27Å; C237-T243 WeakPolarHBondContact CB-OG1 3.49Å; C237-T243 PolarHBondContact N-O 2.89Å; C237-Y278 HydrophobicContact CB-CE1 4.44Å; C237-Y278 HydrophobicContact CB-CE2 4.26Å
238	P	94.5	Very high	96.2	Very high	57 Å²	57	30.5 Å²	30.5	37%	0.37	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.2	-177.3	25.3	-33	0	0	0	113.9	G240 P283	P238-G240 PolarHBondContact O-N 2.9Å; P238-P283 HydrophobicContact CG-CG 4.31Å
239	T	92.2	Very high	96.4	Very high	78 Å²	78	27.8 Å²	27.8	48%	0.479	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.5	177.9	55.9	0	0	0	0	114.2	C237 D241 P283	C237-T239 PolarHBondContact O-N 2.74Å; C237-T239 PolarHBondContact SG-OG1 3.05Å; T239-D241 PolarHBondContact O-N 2.89Å; T239-D241 WeakPolarHBondContact OG1-CB 3.19Å; T239-D241 PolarHBondContact OG1-N 3.25Å; T239-D241 PolarHBondContact OG1-OD2 3.37Å; T239-P283 HydrophobicContact CG2-CB 3.74Å; T239-P283 HydrophobicContact CG2-CG 3.48Å; T239-P283 VanDerWaalsContact CG2-CG 3.48Å
240	G	89.5	Confident	96.5	Very high	23 Å²	23	24.4 Å²	24.4	24%	0.237	13%	0.133	C	C	.	.	S	Bend	trans	77.7	7.7	-169.8	0	0	0	0	0	113.3	H189 C237 P238	H189-G240 PolarHBondContact CE1-O 2.8Å; H189-G240 VanDerWaalsContact CE1-O 3.29Å; H189-G240 PolarHBondContact NE2-O 3.38Å; H189-G240 VanDerWaalsContact NE2-O 3.14Å; C237-G240 PolarHBondContact O-N 2.57Å; P238-G240 PolarHBondContact O-N 2.9Å
241	D	91.7	Very high	96.6	Very high	60 Å²	60	24.1 Å²	24.1	32%	0.321	13%	0.134	S	C	.	.	S	Bend	trans	-71.3	171.3	169.4	74	38.9	0	0	0	111.7	H189 C237 T239 T243	H189-D241 PolarHBondContact CD2-O 2.9Å; H189-D241 PolarHBondContact NE2-O 3.41Å; H189-D241 VanDerWaalsContact NE2-O 3.1Å; C237-D241 VanDerWaalsContact CB-OD1 3.24Å; C237-D241 WeakPolarHBondContact CB-OD1 3.29Å; C237-D241 PolarHBondContact SG-OD2 3.31Å; T239-D241 PolarHBondContact O-N 2.89Å; T239-D241 WeakPolarHBondContact OG1-CB 3.19Å; T239-D241 PolarHBondContact OG1-N 3.25Å; T239-D241 PolarHBondContact OG1-OD2 3.37Å; D241-T243 PolarHBondContact O-N 3.04Å; D241-T243 WeakPolarHBondContact OD1-CA 3.43Å; D241-T243 WeakPolarHBondContact OD1-CB 3.37Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.19Å; D241-T243 PolarHBondContact OD1-N 3.13Å; D241-T243 PolarHBondContact OD1-OG1 3.02Å
242	S	94.7	Very high	96.6	Very high	18 Å²	18	25.2 Å²	25.2	13%	0.126	14%	0.14	C	C	.	.	S	Bend	trans	-81.5	6.3	-174.6	-40.4	0	0	0	0	112.8	K192 S258 D259	K192-S242 WeakPolarHBondContact CE-OG 3.38Å; K192-S242 PolarHBondContact NZ-OG 3.38Å; S242-S258 VanDerWaalsContact O-CB 3.29Å; S242-S258 WeakPolarHBondContact O-CB 3.2Å; S242-S258 PolarHBondContact O-N 2.88Å; S242-S258 PolarHBondContact O-OG 3.18Å; S242-D259 WeakPolarHBondContact CB-OD2 3.47Å; S242-D259 PolarHBondContact OG-OD2 3.05Å
243	T	97.1	Very high	96.6	Very high	24 Å²	24	23.9 Å²	23.9	15%	0.147	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.9	-174.6	75.4	0	0	0	0	111.8	F236 C237 D241 H256 I264	F236-T243 WeakPolarHBondContact CD1-O 3.38Å; C237-T243 WeakPolarHBondContact CB-O 3.43Å; C237-T243 VanDerWaalsContact CB-OG1 3.27Å; C237-T243 WeakPolarHBondContact CB-OG1 3.49Å; C237-T243 PolarHBondContact N-O 2.89Å; D241-T243 PolarHBondContact O-N 3.04Å; D241-T243 WeakPolarHBondContact OD1-CA 3.43Å; D241-T243 WeakPolarHBondContact OD1-CB 3.37Å; D241-T243 WeakPolarHBondContact OD1-CG2 3.19Å; D241-T243 PolarHBondContact OD1-N 3.13Å; D241-T243 PolarHBondContact OD1-OG1 3.02Å; T243-H256 CarbonylContact C-O 3.58Å; T243-H256 WeakPolarHBondContact CA-O 3.38Å; T243-I264 HydrophobicContact CG2-CD1 3.48Å; T243-I264 VanDerWaalsContact CG2-CD1 3.48Å
244	F	98.1	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.9	178.7	68.3	-80.8	0	0	0	110.6	L196 A210 L226 Q235 F236 T246 V255 H256 F261	L196-F244 HydrophobicContact CD1-CB 4.27Å; L196-F244 HydrophobicContact CD1-CD1 3.61Å; L196-F244 HydrophobicContact CD1-CD2 3.63Å; L196-F244 HydrophobicContact CD1-CE1 3.72Å; L196-F244 HydrophobicContact CD1-CE2 3.74Å; L196-F244 HydrophobicContact CD1-CG 3.56Å; L196-F244 HydrophobicContact CD1-CZ 3.78Å; A210-F244 HydrophobicContact CB-CE2 4.4Å; L226-F244 HydrophobicContact CD1-CE2 3.65Å; L226-F244 HydrophobicContact CD1-CZ 3.91Å; Q235-F244 CarbonylContact O-C 3.49Å; Q235-F244 WeakPolarHBondContact O-CA 3.48Å; F236-F244 HydrophobicContact CD1-CB 3.79Å; F236-F244 HydrophobicContact CE1-CB 4Å; F236-F244 HydrophobicContact CE1-CD1 4.43Å; F236-F244 HydrophobicContact CG-CB 4.23Å; F244-T246 HydrophobicContact CD2-CG2 3.72Å; F244-T246 HydrophobicContact CE2-CG2 3.63Å; F244-V255 WeakPolarHBondContact O-CA 3.47Å; F244-H256 HydrophobicContact CD1-CB 4.22Å; F244-H256 VanDerWaalsContact CD1-O 3.24Å; F244-H256 WeakPolarHBondContact CD1-O 3.42Å; F244-H256 HydrophobicContact CE1-CB 3.53Å; F244-H256 HydrophobicContact CE2-CB 4.24Å; F244-H256 HydrophobicContact CZ-CB 3.55Å; F244-H256 PolarHBondContact N-O 3.27Å; F244-H256 PolarHBondContact O-N 2.85Å; F244-F261 HydrophobicContact CE1-CD1 4.3Å; F244-F261 HydrophobicContact CE1-CE1 4.47Å; F244-F261 AromaticContact CZ-CD1 3.96Å; F244-F261 HydrophobicContact CZ-CD1 3.96Å; F244-F261 HydrophobicContact CZ-CE1 4.05Å
245	L	98.5	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.2	178.9	-175.8	64.1	0	0	0	109.3	M234 Q235 M253 K254 V255 C276 Y278 V286	M234-L245 CarbonylContact C-O 3.53Å; M234-L245 WeakPolarHBondContact CA-O 3.23Å; Q235-L245 PolarHBondContact N-O 3.09Å; Q235-L245 PolarHBondContact O-N 3.34Å; L245-M253 HydrophobicContact CD1-CB 4.34Å; L245-M253 HydrophobicContact CD1-CE 3.71Å; L245-M253 HydrophobicContact CD2-CE 3.67Å; L245-M253 HydrophobicContact CG-CE 4.01Å; L245-K254 CarbonylContact C-O 3.56Å; L245-K254 WeakPolarHBondContact CA-O 3.32Å; L245-V255 HydrophobicContact CD1-CG2 3.81Å; L245-C276 HydrophobicContact CD2-CB 3.72Å; L245-C276 HydrophobicContact CG-CB 4.15Å; L245-Y278 HydrophobicContact CB-CD2 4.39Å; L245-Y278 HydrophobicContact CB-CE2 3.47Å; L245-Y278 VanDerWaalsContact CB-CE2 3.47Å; L245-Y278 WeakPolarHBondContact CB-OH 3.3Å; L245-Y278 HydrophobicContact CD2-CD2 4.36Å; L245-Y278 HydrophobicContact CD2-CE2 4.14Å; L245-Y278 HydrophobicContact CG-CE2 4.46Å; L245-Y278 PolarHBondContact N-OH 3.42Å; L245-V286 HydrophobicContact CD1-CG1 4.47Å; L245-V286 HydrophobicContact CD2-CB 4.06Å; L245-V286 HydrophobicContact CD2-CG1 3.92Å
246	T	98.6	Very high	96.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.6	171.2	57.7	0	0	0	0	110.2	L226 H227 D233 M234 F244 M253 K254	L226-T246 HydrophobicContact CD1-CG2 3.93Å; H227-T246 PolarHBondContact NE2-OG1 3.05Å; D233-T246 WeakPolarHBondContact O-CA 3.27Å; M234-T246 HydrophobicContact CB-CG2 4.08Å; F244-T246 HydrophobicContact CD2-CG2 3.72Å; F244-T246 HydrophobicContact CE2-CG2 3.63Å; T246-M253 CarbonylContact O-C 3.58Å; T246-M253 WeakPolarHBondContact O-CA 3.31Å; T246-K254 PolarHBondContact N-O 3.5Å; T246-K254 PolarHBondContact O-N 3.43Å; T246-K254 PolarHBondContact OG1-O 3.06Å
247	C	98.6	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.3	171.3	86.2	0	0	0	0	111.4	I231 R232 D233 M253 V273 C276	I231-C247 CarbonylContact C-O 3.54Å; I231-C247 WeakPolarHBondContact CA-O 3.39Å; R232-C247 PolarHBondContact N-O 2.76Å; D233-C247 WeakPolarHBondContact CB-SG 3.45Å; D233-C247 PolarHBondContact O-N 2.81Å; C247-M253 HydrophobicContact CB-CG 3.64Å; C247-V273 HydrophobicContact CB-CB 3.78Å; C247-V273 HydrophobicContact CB-CG1 3.54Å; C247-V273 PolarHBondContact SG-O 2.92Å; C247-C276 HydrophobicContact CB-CB 3.93Å
248	S	98.3	Very high	96.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	163.3	-171.1	172.8	0	0	0	0	114.5	H227 M229 R230 D250 K251 L252 V273	H227-S248 VanDerWaalsContact CG-CB 3.48Å; H227-S248 WeakPolarHBondContact ND1-CB 3.19Å; M229-S248 VanDerWaalsContact C-OG 3.22Å; M229-S248 PolarHBondContact O-OG 3.48Å; R230-S248 WeakPolarHBondContact O-CA 3.48Å; R230-S248 PolarHBondContact O-OG 3.1Å; R230-S248 VanDerWaalsContact O-OG 3.06Å; S248-D250 WeakPolarHBondContact CB-OD1 3.36Å; S248-D250 PolarHBondContact O-N 3.22Å; S248-D250 PolarHBondContact OG-N 3.49Å; S248-D250 PolarHBondContact OG-OD1 2.89Å; S248-K251 PolarHBondContact O-N 2.85Å; S248-L252 PolarHBondContact N-O 3.4Å; S248-L252 VanDerWaalsContact N-O 3.11Å; S248-V273 CarbonylContact C-O 3.6Å; S248-V273 PolarHBondContact O-N 3.19Å; S248-V273 VanDerWaalsContact O-N 3.13Å
249	M	98	Very high	96.5	Very high	39 Å²	39	26.4 Å²	26.4	19%	0.192	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.8	169.2	-58.9	-55.3	-142.5	0	0	113.6	M229 R230 R232 K251 Q272 W274	M229-M249 HydrophobicContact CB-CB 3.91Å; R230-M249 HydrophobicContact CB-CG 4.14Å; R230-M249 PolarHBondContact O-N 3.42Å; R232-M249 HydrophobicContact CG-CE 4.14Å; R232-M249 HydrophobicContact CG-CG 3.99Å; R232-M249 HydrophobicContact CG-SD 3.65Å; M249-K251 PolarHBondContact O-N 2.77Å; M249-Q272 WeakPolarHBondContact O-CG 3.35Å; M249-Q272 HydrophobicContact SD-CB 4.08Å; M249-Q272 PolarHBondContact SD-OE1 3.03Å; M249-W274 HydrophobicContact CE-CZ2 4.35Å
250	D	97.1	Very high	96.6	Very high	26 Å²	26	27.2 Å²	27.2	14%	0.139	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.4	172.5	64	11.7	0	0	0	113.2	H227 T228 M229 S248 L252	H227-D250 WeakPolarHBondContact CA-OD2 3.38Å; H227-D250 VanDerWaalsContact CB-OD2 3.23Å; H227-D250 WeakPolarHBondContact CB-OD2 3.47Å; H227-D250 IonicContact CE1-OD1 3.26Å; H227-D250 IonicContact CG-OD2 2.95Å; H227-D250 VanDerWaalsContact ND1-CG 3.34Å; H227-D250 IonicContact ND1-OD1 2.88Å; H227-D250 PolarHBondContact ND1-OD1 2.85Å; H227-D250 VanDerWaalsContact ND1-OD1 3.11Å; H227-D250 IonicContact ND1-OD2 3.8Å; H227-D250 PolarHBondContact ND1-OD2 3.26Å; T228-D250 PolarHBondContact N-OD2 2.87Å; T228-D250 VanDerWaalsContact N-OD2 3.13Å; T228-D250 WeakPolarHBondContact OG1-CB 3.37Å; M229-D250 HydrophobicContact CB-CB 3.87Å; M229-D250 HydrophobicContact CG-CB 3.93Å; S248-D250 WeakPolarHBondContact CB-OD1 3.36Å; S248-D250 PolarHBondContact O-N 3.22Å; S248-D250 PolarHBondContact OG-N 3.49Å; S248-D250 PolarHBondContact OG-OD1 2.89Å; D250-L252 PolarHBondContact O-N 3.26Å; D250-L252 VanDerWaalsContact OD1-CB 3.29Å; D250-L252 WeakPolarHBondContact OD1-CB 3.13Å; D250-L252 PolarHBondContact OD1-N 3.14Å
251	K	97.7	Very high	97	Very high	91 Å²	91	27.6 Å²	27.6	40%	0.396	14%	0.141	S	C	.	.	S	Bend	trans	69.2	17.5	-179.3	-42	179.9	177.7	-170.6	0	113.9	S248 M249 L269 N270 S271 Q272	S248-K251 PolarHBondContact O-N 2.85Å; M249-K251 PolarHBondContact O-N 2.77Å; K251-L269 WeakPolarHBondContact CB-O 3.47Å; K251-L269 PolarHBondContact O-N 2.77Å; K251-N270 PolarHBondContact NZ-O 2.88Å; K251-S271 WeakPolarHBondContact CB-O 3.31Å; K251-Q272 HydrophobicContact CG-CG 4.43Å
252	L	97.7	Very high	97.2	Very high	24 Å²	24	30.3 Å²	30.3	13%	0.126	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.9	176.2	-63.7	161.4	0	0	0	110.9	H227 S248 D250 K254 I267 R268	H227-L252 PolarHBondContact CE1-O 3.29Å; S248-L252 PolarHBondContact N-O 3.4Å; S248-L252 VanDerWaalsContact N-O 3.11Å; D250-L252 PolarHBondContact O-N 3.26Å; D250-L252 VanDerWaalsContact OD1-CB 3.29Å; D250-L252 WeakPolarHBondContact OD1-CB 3.13Å; D250-L252 PolarHBondContact OD1-N 3.14Å; L252-K254 HydrophobicContact CB-CG 4.34Å; L252-I267 WeakPolarHBondContact CA-O 3.47Å; L252-R268 HydrophobicContact CD2-CB 3.87Å; L252-R268 HydrophobicContact CD2-CG 4.35Å
253	M	97.8	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.1	152.7	-75.2	171.8	57.8	0	0	109	L245 T246 C247 S266 I267 V273 C276 V286 A288	L245-M253 HydrophobicContact CD1-CB 4.34Å; L245-M253 HydrophobicContact CD1-CE 3.71Å; L245-M253 HydrophobicContact CD2-CE 3.67Å; L245-M253 HydrophobicContact CG-CE 4.01Å; T246-M253 CarbonylContact O-C 3.58Å; T246-M253 WeakPolarHBondContact O-CA 3.31Å; C247-M253 HydrophobicContact CB-CG 3.64Å; M253-S266 CarbonylContact O-C 3.58Å; M253-S266 VanDerWaalsContact O-CA 3.29Å; M253-S266 WeakPolarHBondContact O-CA 3.48Å; M253-I267 HydrophobicContact CB-CB 4.25Å; M253-I267 PolarHBondContact N-O 3.21Å; M253-I267 PolarHBondContact O-N 3.37Å; M253-V273 HydrophobicContact CG-CB 4.44Å; M253-V273 HydrophobicContact CG-CG1 3.95Å; M253-V273 HydrophobicContact CG-CG2 4.33Å; M253-V273 HydrophobicContact SD-CG1 3.97Å; M253-C276 HydrophobicContact CE-CB 3.56Å; M253-C276 HydrophobicContact CG-CB 4.49Å; M253-C276 HydrophobicContact SD-CB 4.06Å; M253-V286 HydrophobicContact CE-CB 4.1Å; M253-V286 HydrophobicContact CE-CG2 3.94Å; M253-A288 HydrophobicContact CE-CB 4.41Å; M253-A288 HydrophobicContact SD-CB 3.24Å; M253-A288 WeakPolarHBondContact SD-CB 3.23Å
254	K	97.7	Very high	97.2	Very high	40 Å²	40	37.1 Å²	37.1	17%	0.174	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144	-179.4	-60.3	-168	173.4	-176.9	0	111.5	L226 L245 T246 L252 H256 A265 S266	L226-K254 WeakPolarHBondContact O-CD 3.33Å; L226-K254 WeakPolarHBondContact O-CE 3.31Å; L226-K254 PolarHBondContact O-NZ 3.27Å; L245-K254 CarbonylContact C-O 3.56Å; L245-K254 WeakPolarHBondContact CA-O 3.32Å; T246-K254 PolarHBondContact N-O 3.5Å; T246-K254 PolarHBondContact O-N 3.43Å; T246-K254 PolarHBondContact OG1-O 3.06Å; L252-K254 HydrophobicContact CB-CG 4.34Å; K254-H256 WeakPolarHBondContact CB-CE1 3.49Å; K254-A265 VanDerWaalsContact CA-O 3.3Å; K254-A265 WeakPolarHBondContact CA-O 3.48Å; K254-S266 WeakPolarHBondContact CG-OG 3.47Å
255	V	97.8	Very high	97	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.036	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.6	172	-174.1	0	0	0	0	108.1	F244 L245 I264 A265 L300	F244-V255 WeakPolarHBondContact O-CA 3.47Å; L245-V255 HydrophobicContact CD1-CG2 3.81Å; V255-I264 HydrophobicContact CB-CB 4.25Å; V255-I264 HydrophobicContact CG1-CB 4.17Å; V255-I264 HydrophobicContact CG1-CD1 4.16Å; V255-I264 HydrophobicContact CG1-CG2 4.4Å; V255-I264 WeakPolarHBondContact O-CB 3.05Å; V255-I264 PolarHBondContact O-N 3.19Å; V255-A265 HydrophobicContact CB-CB 4.25Å; V255-A265 HydrophobicContact CG2-CB 4.36Å; V255-A265 PolarHBondContact N-O 3.4Å; V255-A265 PolarHBondContact O-N 3.49Å; V255-L300 HydrophobicContact CG2-CD1 4.15Å; V255-L300 HydrophobicContact CG2-CD2 3.79Å
256	H	98.1	Very high	96.9	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.9	177.9	-59.6	88.5	0	0	0	110.6	T243 F244 K254 Q262 H263	T243-H256 CarbonylContact C-O 3.58Å; T243-H256 WeakPolarHBondContact CA-O 3.38Å; F244-H256 HydrophobicContact CD1-CB 4.22Å; F244-H256 VanDerWaalsContact CD1-O 3.24Å; F244-H256 WeakPolarHBondContact CD1-O 3.42Å; F244-H256 HydrophobicContact CE1-CB 3.53Å; F244-H256 HydrophobicContact CE2-CB 4.24Å; F244-H256 HydrophobicContact CZ-CB 3.55Å; F244-H256 PolarHBondContact N-O 3.27Å; F244-H256 PolarHBondContact O-N 2.85Å; K254-H256 WeakPolarHBondContact CB-CE1 3.49Å; H256-Q262 CarbonylContact C-O 3.59Å; H256-Q262 WeakPolarHBondContact CA-O 3.4Å; H256-H263 AromaticContact NE2-CD2 3.94Å
257	N	97.1	Very high	96.8	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.203	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130	166.9	-172.8	-46.7	0	0	0	109.9	D259 F261 Q262 I264	N257-D259 VanDerWaalsContact OD1-CB 3.29Å; N257-D259 WeakPolarHBondContact OD1-CB 3.42Å; N257-D259 PolarHBondContact OD1-N 2.89Å; N257-F261 CarbonylContact O-C 3.59Å; N257-F261 WeakPolarHBondContact O-CA 3.47Å; N257-F261 PolarHBondContact O-N 3.12Å; N257-Q262 HydrophobicContact CB-CB 4.4Å; N257-Q262 PolarHBondContact N-O 3.36Å; N257-I264 HydrophobicContact CB-CD1 4.19Å
258	S	96.3	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-13.2	-177.7	60.9	0	0	0	0	115	I194 K212 S242	I194-S258 WeakPolarHBondContact CD1-OG 3.33Å; K212-S258 PolarHBondContact NZ-O 3.17Å; S242-S258 VanDerWaalsContact O-CB 3.29Å; S242-S258 WeakPolarHBondContact O-CB 3.2Å; S242-S258 PolarHBondContact O-N 2.88Å; S242-S258 PolarHBondContact O-OG 3.18Å
259	D	95.1	Very high	96.7	Very high	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-45.9	177.3	-65	-31.6	0	0	0	110.5	K192 S242 N257	K192-D259 IonicContact NZ-OD1 2.72Å; K192-D259 PolarHBondContact NZ-OD1 3.48Å; K192-D259 IonicContact NZ-OD2 3.96Å; K192-D259 PolarHBondContact NZ-OD2 3.13Å; S242-D259 WeakPolarHBondContact CB-OD2 3.47Å; S242-D259 PolarHBondContact OG-OD2 3.05Å; N257-D259 VanDerWaalsContact OD1-CB 3.29Å; N257-D259 WeakPolarHBondContact OD1-CB 3.42Å; N257-D259 PolarHBondContact OD1-N 2.89Å
260	N	94.4	Very high	96.6	Very high	95 Å²	95	46 Å²	46	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	6.1	-174.3	64.8	2.6	0	0	0	114.4	Q262	N260-Q262 PolarHBondContact ND2-OE1 2.9Å; N260-Q262 PolarHBondContact O-N 3.5Å; N260-Q262 WeakPolarHBondContact OD1-CB 3.49Å; N260-Q262 PolarHBondContact OD1-N 2.84Å
261	F	95.9	Very high	96.6	Very high	31 Å²	31	45.4 Å²	45.4	14%	0.136	23%	0.227	C	C	.	.			trans	56.7	23.5	-173.2	-68.2	-73.6	0	0	0	114.8	L196 A210 K212 L226 F244 N257 H263	L196-F261 HydrophobicContact CD2-CE1 4.12Å; L196-F261 HydrophobicContact CD2-CZ 4.1Å; A210-F261 HydrophobicContact CB-CE1 3.91Å; A210-F261 WeakPolarHBondContact O-CZ 3.28Å; K212-F261 HydrophobicContact CB-CE2 4.23Å; K212-F261 HydrophobicContact CB-CZ 3.89Å; L226-F261 HydrophobicContact CD2-CD1 4.33Å; F244-F261 HydrophobicContact CE1-CD1 4.3Å; F244-F261 HydrophobicContact CE1-CE1 4.47Å; F244-F261 AromaticContact CZ-CD1 3.96Å; F244-F261 HydrophobicContact CZ-CD1 3.96Å; F244-F261 HydrophobicContact CZ-CE1 4.05Å; N257-F261 CarbonylContact O-C 3.59Å; N257-F261 WeakPolarHBondContact O-CA 3.47Å; N257-F261 PolarHBondContact O-N 3.12Å; F261-H263 PolarHBondContact O-N 2.81Å
262	Q	96.5	Very high	96.7	Very high	116 Å²	116	44.8 Å²	44.8	54%	0.542	23%	0.225	S	C	.	.			trans	-63.9	130	176.9	179.5	178.4	-9.6	0	0	110.4	H256 N257 N260	H256-Q262 CarbonylContact C-O 3.59Å; H256-Q262 WeakPolarHBondContact CA-O 3.4Å; N257-Q262 HydrophobicContact CB-CB 4.4Å; N257-Q262 PolarHBondContact N-O 3.36Å; N260-Q262 PolarHBondContact ND2-OE1 2.9Å; N260-Q262 PolarHBondContact O-N 3.5Å; N260-Q262 WeakPolarHBondContact OD1-CB 3.49Å; N260-Q262 PolarHBondContact OD1-N 2.84Å
263	H	96	Very high	96.7	Very high	95 Å²	95	43.7 Å²	43.7	44%	0.44	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.6	171.9	170.4	-97.2	0	0	0	110.9	H256 F261 A265 S266	H256-H263 AromaticContact NE2-CD2 3.94Å; F261-H263 PolarHBondContact O-N 2.81Å; H263-A265 VanDerWaalsContact NE2-C 3.33Å; H263-A265 PolarHBondContact NE2-O 2.96Å; H263-S266 PolarHBondContact NE2-OG 3.2Å
264	I	95.2	Very high	96.7	Very high	90 Å²	90	45.9 Å²	45.9	46%	0.462	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-51.1	-179.1	-62.4	172.8	0	0	0	110.4	T243 V255 N257	T243-I264 HydrophobicContact CG2-CD1 3.48Å; T243-I264 VanDerWaalsContact CG2-CD1 3.48Å; V255-I264 HydrophobicContact CB-CB 4.25Å; V255-I264 HydrophobicContact CG1-CB 4.17Å; V255-I264 HydrophobicContact CG1-CD1 4.16Å; V255-I264 HydrophobicContact CG1-CG2 4.4Å; V255-I264 WeakPolarHBondContact O-CB 3.05Å; V255-I264 PolarHBondContact O-N 3.19Å; N257-I264 HydrophobicContact CB-CD1 4.19Å
265	A	95.4	Very high	96.8	Very high	16 Å²	16	44 Å²	44	13%	0.132	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.8	-175.7	0	0	0	0	0	112.2	K254 V255 H263 L300	K254-A265 VanDerWaalsContact CA-O 3.3Å; K254-A265 WeakPolarHBondContact CA-O 3.48Å; V255-A265 HydrophobicContact CB-CB 4.25Å; V255-A265 HydrophobicContact CG2-CB 4.36Å; V255-A265 PolarHBondContact N-O 3.4Å; V255-A265 PolarHBondContact O-N 3.49Å; H263-A265 VanDerWaalsContact NE2-C 3.33Å; H263-A265 PolarHBondContact NE2-O 2.96Å; A265-L300 HydrophobicContact CB-CD2 4.4Å
266	S	96.2	Very high	96.8	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.7	172.6	-72.8	0	0	0	0	111	M253 K254 H263 V303	M253-S266 CarbonylContact O-C 3.58Å; M253-S266 VanDerWaalsContact O-CA 3.29Å; M253-S266 WeakPolarHBondContact O-CA 3.48Å; K254-S266 WeakPolarHBondContact CG-OG 3.47Å; H263-S266 PolarHBondContact NE2-OG 3.2Å; S266-V303 WeakPolarHBondContact O-CG1 3.31Å
267	I	97.2	Very high	96.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.4	177	-49.7	176.1	0	0	0	107.7	L252 M253 L269 V286 Y298 L300 V303 D310	L252-I267 WeakPolarHBondContact CA-O 3.47Å; M253-I267 HydrophobicContact CB-CB 4.25Å; M253-I267 PolarHBondContact N-O 3.21Å; M253-I267 PolarHBondContact O-N 3.37Å; I267-L269 HydrophobicContact CB-CD1 4.4Å; I267-L269 HydrophobicContact CG2-CD1 3.91Å; I267-V286 HydrophobicContact CD1-CG2 3.53Å; I267-Y298 HydrophobicContact CD1-CD2 4.44Å; I267-Y298 HydrophobicContact CD1-CG 4.07Å; I267-Y298 HydrophobicContact CG2-CD1 3.6Å; I267-Y298 HydrophobicContact CG2-CD2 4.11Å; I267-Y298 HydrophobicContact CG2-CE1 3.7Å; I267-Y298 HydrophobicContact CG2-CE2 4.18Å; I267-Y298 HydrophobicContact CG2-CG 3.82Å; I267-L300 HydrophobicContact CD1-CD2 3.99Å; I267-V303 HydrophobicContact CD1-CG2 4.17Å; I267-V303 HydrophobicContact CG1-CG1 4.26Å; I267-V303 HydrophobicContact CG1-CG2 3.75Å; I267-D310 VanDerWaalsContact CA-OD2 3.26Å; I267-D310 WeakPolarHBondContact CA-OD2 3.37Å; I267-D310 HydrophobicContact CG2-CB 3.79Å
268	R	96.7	Very high	96.9	Very high	88 Å²	88	41.7 Å²	41.7	33%	0.332	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.7	178.4	178.7	170.3	-83.5	166.8	3.9	110.8	L252 D307 C309 D310	L252-R268 HydrophobicContact CD2-CB 3.87Å; L252-R268 HydrophobicContact CD2-CG 4.35Å; R268-D307 WeakPolarHBondContact CD-O 3.23Å; R268-D307 PolarHBondContact NH1-O 3.01Å; R268-D307 IonicContact NH1-OD1 3.79Å; R268-D307 PolarHBondContact NH1-OD1 3.34Å; R268-C309 CarbonylContact O-C 3.59Å; R268-C309 WeakPolarHBondContact O-CA 3.33Å; R268-D310 PolarHBondContact N-OD2 2.9Å; R268-D310 PolarHBondContact O-N 2.89Å
269	L	97.1	Very high	96.8	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.207	C	C	.	.			trans	-104.9	162.9	176.5	-71.9	84.7	0	0	0	111.4	K251 I267 V273 A288 T290 Y298	K251-L269 WeakPolarHBondContact CB-O 3.47Å; K251-L269 PolarHBondContact O-N 2.77Å; I267-L269 HydrophobicContact CB-CD1 4.4Å; I267-L269 HydrophobicContact CG2-CD1 3.91Å; L269-V273 HydrophobicContact CB-CG2 4.26Å; L269-V273 HydrophobicContact CD1-CG2 3.94Å; L269-V273 HydrophobicContact CD2-CG2 4.02Å; L269-V273 HydrophobicContact CG-CG2 4.28Å; L269-A288 HydrophobicContact CD2-CB 3.57Å; L269-T290 HydrophobicContact CD2-CG2 3.82Å; L269-Y298 HydrophobicContact CD1-CE2 4.39Å; L269-Y298 HydrophobicContact CD2-CE2 4.1Å; L269-Y298 HydrophobicContact CG-CE2 4.31Å; L269-Y298 WeakPolarHBondContact CG-OH 3.46Å
270	N	95.5	Very high	96.8	Very high	84 Å²	84	39.1 Å²	39.1	45%	0.449	20%	0.195	S	C	.	.	S	Bend	trans	-77.6	-20.6	176.3	61.6	-14.9	0	0	0	113.2	K251	K251-N270 PolarHBondContact NZ-O 2.88Å
271	S	97.7	Very high	96.7	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	19%	0.193	C	C	.	.	S	Bend	trans	-129.3	165.9	-178.9	58.6	0	0	0	0	112.3	K251 T290 T292	K251-S271 WeakPolarHBondContact CB-O 3.31Å; S271-T290 VanDerWaalsContact OG-CB 3.23Å; S271-T290 WeakPolarHBondContact OG-CB 3.45Å; S271-T290 VanDerWaalsContact OG-CG2 3.31Å; S271-T290 WeakPolarHBondContact OG-CG2 3.36Å; S271-T292 PolarHBondContact OG-OG1 3.45Å
272	Q	98.6	Very high	96.7	Very high	78 Å²	78	38.9 Å²	38.9	36%	0.364	20%	0.195	S	C	.	.			trans	-66.8	140.4	-178.5	-59.6	173.5	26.6	0	0	109.8	M249 K251 T290 S291	M249-Q272 WeakPolarHBondContact O-CG 3.35Å; M249-Q272 HydrophobicContact SD-CB 4.08Å; M249-Q272 PolarHBondContact SD-OE1 3.03Å; K251-Q272 HydrophobicContact CG-CG 4.43Å; Q272-T290 CarbonylContact O-C 3.55Å; Q272-T290 WeakPolarHBondContact O-CA 3.21Å; Q272-S291 PolarHBondContact O-N 3.03Å
273	V	98.7	Very high	96.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.2	-176.9	-163.5	0	0	0	0	109.4	R232 C247 S248 M253 L269 S275 A288 G289	R232-V273 WeakPolarHBondContact CB-O 3.24Å; C247-V273 HydrophobicContact CB-CB 3.78Å; C247-V273 HydrophobicContact CB-CG1 3.54Å; C247-V273 PolarHBondContact SG-O 2.92Å; S248-V273 CarbonylContact C-O 3.6Å; S248-V273 PolarHBondContact O-N 3.19Å; S248-V273 VanDerWaalsContact O-N 3.13Å; M253-V273 HydrophobicContact CG-CB 4.44Å; M253-V273 HydrophobicContact CG-CG1 3.95Å; M253-V273 HydrophobicContact CG-CG2 4.33Å; M253-V273 HydrophobicContact SD-CG1 3.97Å; L269-V273 HydrophobicContact CB-CG2 4.26Å; L269-V273 HydrophobicContact CD1-CG2 3.94Å; L269-V273 HydrophobicContact CD2-CG2 4.02Å; L269-V273 HydrophobicContact CG-CG2 4.28Å; V273-S275 WeakPolarHBondContact CG1-O 3.46Å; V273-A288 HydrophobicContact CG1-CB 4.28Å; V273-G289 WeakPolarHBondContact CG1-O 3.49Å
274	W	98.5	Very high	96.5	Very high	46 Å²	46	35 Å²	35	17%	0.174	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-28.4	-173.6	-85.7	41.3	0	0	0	113.6	R232 M249 G289 P322 I323 T346	R232-W274 WeakPolarHBondContact CB-O 3.19Å; M249-W274 HydrophobicContact CE-CZ2 4.35Å; W274-G289 PolarHBondContact N-O 3.49Å; W274-P322 HydrophobicContact CD2-CB 3.83Å; W274-P322 HydrophobicContact CE3-CB 3.5Å; W274-P322 VanDerWaalsContact CE3-CB 3.5Å; W274-P322 HydrophobicContact CH2-CB 3.82Å; W274-P322 HydrophobicContact CH2-CG 4.09Å; W274-P322 HydrophobicContact CZ2-CB 4.12Å; W274-P322 HydrophobicContact CZ2-CG 4.38Å; W274-P322 HydrophobicContact CZ3-CB 3.5Å; W274-P322 VanDerWaalsContact CZ3-CB 3.5Å; W274-P322 HydrophobicContact CZ3-CG 4.21Å; W274-I323 WeakPolarHBondContact CB-O 3.35Å; W274-T346 HydrophobicContact CZ3-CG2 4.37Å
275	S	98.6	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.3	175.8	57.8	0	0	0	0	111	D233 V273 G289 I323 L326	D233-S275 VanDerWaalsContact OD2-CA 3.29Å; D233-S275 WeakPolarHBondContact OD2-CA 3.45Å; D233-S275 WeakPolarHBondContact OD2-CB 3.46Å; V273-S275 WeakPolarHBondContact CG1-O 3.46Å; S275-G289 PolarHBondContact N-O 2.92Å; S275-G289 PolarHBondContact O-N 3.17Å; S275-I323 WeakPolarHBondContact OG-CG2 3.45Å; S275-I323 PolarHBondContact OG-O 2.98Å; S275-L326 WeakPolarHBondContact OG-CG 3.5Å
276	C	98.6	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.3	175.6	59.5	0	0	0	0	111	D233 L245 C247 M253 F287	D233-C276 PolarHBondContact OD2-N 2.82Å; L245-C276 HydrophobicContact CD2-CB 3.72Å; L245-C276 HydrophobicContact CG-CB 4.15Å; C247-C276 HydrophobicContact CB-CB 3.93Å; M253-C276 HydrophobicContact CE-CB 3.56Å; M253-C276 HydrophobicContact CG-CB 4.49Å; M253-C276 HydrophobicContact SD-CB 4.06Å; C276-F287 VanDerWaalsContact CA-O 3.25Å; C276-F287 WeakPolarHBondContact CA-O 3.44Å
277	C	98.2	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.1	171.4	74.8	0	0	0	0	110.9	Q235 V286 F287 L326 L341	Q235-C277 VanDerWaalsContact OE1-CB 3.32Å; C277-V286 WeakPolarHBondContact O-CA 3.42Å; C277-F287 PolarHBondContact N-O 3.02Å; C277-F287 PolarHBondContact O-N 3.35Å; C277-L326 HydrophobicContact CB-CB 4.16Å; C277-L326 WeakPolarHBondContact CB-O 3.37Å; C277-L341 VanDerWaalsContact SG-CD1 3.52Å
278	Y	98.1	Very high	96.9	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	155.7	168.9	-70.3	-88.8	0	0	0	110.7	C237 L245 P283 V286 L300	C237-Y278 HydrophobicContact CB-CE1 4.44Å; C237-Y278 HydrophobicContact CB-CE2 4.26Å; L245-Y278 HydrophobicContact CB-CD2 4.39Å; L245-Y278 HydrophobicContact CB-CE2 3.47Å; L245-Y278 VanDerWaalsContact CB-CE2 3.47Å; L245-Y278 WeakPolarHBondContact CB-OH 3.3Å; L245-Y278 HydrophobicContact CD2-CD2 4.36Å; L245-Y278 HydrophobicContact CD2-CE2 4.14Å; L245-Y278 HydrophobicContact CG-CE2 4.46Å; L245-Y278 PolarHBondContact N-OH 3.42Å; Y278-P283 WeakPolarHBondContact CD1-O 3.35Å; Y278-V286 HydrophobicContact CD1-CG1 3.53Å; Y278-V286 HydrophobicContact CE1-CG1 3.64Å; Y278-V286 HydrophobicContact CG-CG1 4.26Å; Y278-L300 HydrophobicContact CE1-CD1 4.38Å
279	D	95.6	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.			trans	-75.5	115.9	151.6	-175.8	-27	0	0	0	106.8	D281 D282 P283 R285 F287 W328 K354	D279-D281 PolarHBondContact O-N 3.2Å; D279-D281 WeakPolarHBondContact OD1-CA 3.48Å; D279-D281 WeakPolarHBondContact OD1-CB 3.41Å; D279-D281 PolarHBondContact OD1-N 2.94Å; D279-D282 CarbonylContact O-C 3.49Å; D279-D282 PolarHBondContact O-N 2.95Å; D279-D282 PolarHBondContact OD1-N 2.77Å; D279-P283 WeakPolarHBondContact O-CA 3.24Å; D279-R285 HydrophobicContact CB-CB 3.91Å; D279-R285 PolarHBondContact N-O 2.72Å; D279-F287 HydrophobicContact CB-CE2 3.84Å; D279-W328 HydrophobicContact CB-CE3 4.43Å; D279-W328 HydrophobicContact CB-CH2 4.45Å; D279-W328 HydrophobicContact CB-CZ3 4.32Å; D279-W328 WeakPolarHBondContact OD1-CH2 3.29Å; D279-W328 WeakPolarHBondContact OD1-CZ2 3.34Å; D279-W328 WeakPolarHBondContact OD2-CH2 3.5Å; D279-K354 IonicContact OD1-NZ 2.73Å; D279-K354 PolarHBondContact OD1-NZ 3.45Å; D279-K354 IonicContact OD2-NZ 2.65Å; D279-K354 PolarHBondContact OD2-NZ 3.37Å
280	S	94.5	Very high	97	Very high	28 Å²	28	25.2 Å²	25.2	20%	0.196	13%	0.128	C	C	.	.	S	Bend	trans	-70.5	-22	180	-56.8	0	0	0	0	112.8
281	D	93.1	Very high	97.2	Very high	85 Å²	85	22.6 Å²	22.6	46%	0.455	12%	0.117	S	C	.	.	S	Bend	trans	-81.4	-30.6	179.1	-55.9	-15.4	0	0	0	111.2	D279 W328 S339 K354	D279-D281 PolarHBondContact O-N 3.2Å; D279-D281 WeakPolarHBondContact OD1-CA 3.48Å; D279-D281 WeakPolarHBondContact OD1-CB 3.41Å; D279-D281 PolarHBondContact OD1-N 2.94Å; D281-W328 HydrophobicContact CB-CZ2 4.44Å; D281-W328 PolarHBondContact OD1-NE1 2.88Å; D281-W328 WeakPolarHBondContact OD2-CZ2 3.24Å; D281-S339 VanDerWaalsContact OD2-CB 3.23Å; D281-S339 WeakPolarHBondContact OD2-CB 3.34Å; D281-S339 PolarHBondContact OD2-OG 3.09Å; D281-S339 VanDerWaalsContact OD2-OG 3.05Å; D281-K354 IonicContact OD2-NZ 2.94Å
282	D	94.1	Very high	97.2	Very high	36 Å²	36	25.2 Å²	25.2	19%	0.193	13%	0.132	C	C	.	.	S	Bend	trans	-135.4	88.4	172.9	-178	5.7	0	0	0	110.7	D279 H284 R285 R301	D279-D282 CarbonylContact O-C 3.49Å; D279-D282 PolarHBondContact O-N 2.95Å; D279-D282 PolarHBondContact OD1-N 2.77Å; D282-H284 PolarHBondContact O-N 2.96Å; D282-H284 WeakPolarHBondContact OD1-CB 3.39Å; D282-H284 IonicContact OD1-CD2 3.8Å; D282-H284 IonicContact OD1-CG 3.21Å; D282-H284 PolarHBondContact OD1-N 3.34Å; D282-R285 HydrophobicContact CB-CG 4.29Å; D282-R285 WeakPolarHBondContact O-CB 3.47Å; D282-R285 PolarHBondContact O-N 3.49Å; D282-R285 WeakPolarHBondContact OD2-CD 3.49Å; D282-R285 WeakPolarHBondContact OD2-CG 3.42Å; D282-R285 IonicContact OD2-CZ 2.91Å; D282-R285 IonicContact OD2-NE 3.98Å; D282-R285 PolarHBondContact OD2-NE 2.88Å; D282-R301 IonicContact OD2-NH2 3.39Å
283	P	94.5	Very high	97.2	Very high	32 Å²	32	21.5 Å²	21.5	21%	0.208	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.2	-174.5	-24.6	36.5	0	0	0	115.3	P238 T239 Y278 D279 R285	P238-P283 HydrophobicContact CG-CG 4.31Å; T239-P283 HydrophobicContact CG2-CB 3.74Å; T239-P283 HydrophobicContact CG2-CG 3.48Å; T239-P283 VanDerWaalsContact CG2-CG 3.48Å; Y278-P283 WeakPolarHBondContact CD1-O 3.35Å; D279-P283 WeakPolarHBondContact O-CA 3.24Å; P283-R285 PolarHBondContact O-N 3.43Å
284	H	95	Very high	97.2	Very high	97 Å²	97	23.8 Å²	23.8	45%	0.449	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.6	166.2	-65.2	-57.9	0	0	0	112.7	D282 L300 R301	D282-H284 PolarHBondContact O-N 2.96Å; D282-H284 WeakPolarHBondContact OD1-CB 3.39Å; D282-H284 IonicContact OD1-CD2 3.8Å; D282-H284 IonicContact OD1-CG 3.21Å; D282-H284 PolarHBondContact OD1-N 3.34Å; H284-L300 WeakPolarHBondContact O-CB 3.44Å; H284-L300 WeakPolarHBondContact O-CG 3.48Å; H284-L300 PolarHBondContact O-N 3.01Å; H284-R301 HydrophobicContact CB-CG 4.32Å
285	R	96	Very high	97.2	Very high	27 Å²	27	21.6 Å²	21.6	10%	0.102	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.3	179.9	-60.9	179	-177.5	-148.2	-6.2	111.2	D279 D282 P283 L297 Y298 D358 N359	D279-R285 HydrophobicContact CB-CB 3.91Å; D279-R285 PolarHBondContact N-O 2.72Å; D282-R285 HydrophobicContact CB-CG 4.29Å; D282-R285 WeakPolarHBondContact O-CB 3.47Å; D282-R285 PolarHBondContact O-N 3.49Å; D282-R285 WeakPolarHBondContact OD2-CD 3.49Å; D282-R285 WeakPolarHBondContact OD2-CG 3.42Å; D282-R285 IonicContact OD2-CZ 2.91Å; D282-R285 IonicContact OD2-NE 3.98Å; D282-R285 PolarHBondContact OD2-NE 2.88Å; P283-R285 PolarHBondContact O-N 3.43Å; R285-L297 HydrophobicContact CB-CD1 3.83Å; R285-Y298 CarbonylContact C-O 3.59Å; R285-Y298 VanDerWaalsContact CA-O 3.3Å; R285-Y298 WeakPolarHBondContact CA-O 3.3Å; R285-D358 PolarHBondContact NH1-O 3.14Å; R285-N359 PolarHBondContact NH1-OD1 3.16Å; R285-N359 PolarHBondContact NH2-OD1 2.93Å
286	V	98.1	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144	-178.7	-63.3	0	0	0	0	111	L245 M253 I267 C277 Y278 Y298 L300	L245-V286 HydrophobicContact CD1-CG1 4.47Å; L245-V286 HydrophobicContact CD2-CB 4.06Å; L245-V286 HydrophobicContact CD2-CG1 3.92Å; M253-V286 HydrophobicContact CE-CB 4.1Å; M253-V286 HydrophobicContact CE-CG2 3.94Å; I267-V286 HydrophobicContact CD1-CG2 3.53Å; C277-V286 WeakPolarHBondContact O-CA 3.42Å; Y278-V286 HydrophobicContact CD1-CG1 3.53Å; Y278-V286 HydrophobicContact CE1-CG1 3.64Å; Y278-V286 HydrophobicContact CG-CG1 4.26Å; V286-Y298 PolarHBondContact N-O 2.86Å; V286-Y298 PolarHBondContact O-N 2.88Å; V286-L300 HydrophobicContact CG1-CD1 3.99Å; V286-L300 HydrophobicContact CG1-CD2 4.39Å; V286-L300 HydrophobicContact CG1-CG 4.19Å; V286-L300 HydrophobicContact CG2-CD2 4.02Å; V286-L300 HydrophobicContact CG2-CG 4.3Å
287	F	98.6	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.1	177.3	-61.8	-86.7	0	0	0	111.1	C276 C277 D279 K296 L297 V316 L326 W328 L341 F361	C276-F287 VanDerWaalsContact CA-O 3.25Å; C276-F287 WeakPolarHBondContact CA-O 3.44Å; C277-F287 PolarHBondContact N-O 3.02Å; C277-F287 PolarHBondContact O-N 3.35Å; D279-F287 HydrophobicContact CB-CE2 3.84Å; F287-K296 CarbonylContact C-O 3.55Å; F287-K296 WeakPolarHBondContact CA-O 3.14Å; F287-L297 HydrophobicContact CD1-CB 4.12Å; F287-L297 HydrophobicContact CD1-CD1 3.94Å; F287-L297 HydrophobicContact CD2-CD1 4.47Å; F287-L297 HydrophobicContact CE1-CB 3.95Å; F287-L297 HydrophobicContact CE1-CD1 3.58Å; F287-L297 HydrophobicContact CE1-CD2 4.31Å; F287-L297 HydrophobicContact CE1-CG 4.15Å; F287-L297 HydrophobicContact CE2-CD1 4.14Å; F287-L297 HydrophobicContact CG-CD1 4.37Å; F287-L297 HydrophobicContact CZ-CD1 3.67Å; F287-V316 HydrophobicContact CD1-CG2 4.06Å; F287-V316 HydrophobicContact CE1-CG2 3.93Å; F287-L326 HydrophobicContact CB-CD1 4.01Å; F287-W328 AromaticContact CE2-CE3 3.73Å; F287-W328 HydrophobicContact CE2-CE3 3.73Å; F287-W328 AromaticContact CE2-CZ3 3.55Å; F287-W328 HydrophobicContact CE2-CZ3 3.55Å; F287-W328 HydrophobicContact CZ-CE3 4.28Å; F287-W328 AromaticContact CZ-CZ3 3.66Å; F287-W328 HydrophobicContact CZ-CZ3 3.66Å; F287-L341 HydrophobicContact CB-CD2 4.46Å; F287-L341 HydrophobicContact CD1-CD2 3.69Å; F287-L341 HydrophobicContact CD2-CD1 4.06Å; F287-L341 HydrophobicContact CE1-CD2 4.01Å; F287-L341 HydrophobicContact CE2-CD1 4.4Å; F287-L341 HydrophobicContact CG-CD1 4.17Å; F287-L341 HydrophobicContact CG-CD2 3.99Å; F287-F361 HydrophobicContact CE1-CE2 4.29Å; F287-F361 HydrophobicContact CE1-CZ 4.05Å; F287-F361 HydrophobicContact CZ-CE1 4.45Å; F287-F361 HydrophobicContact CZ-CE2 4.36Å; F287-F361 AromaticContact CZ-CZ 3.75Å; F287-F361 HydrophobicContact CZ-CZ 3.75Å
288	A	98.7	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	177.9	0	0	0	0	0	110.4	M253 L269 V273 V295 K296 Y298	M253-A288 HydrophobicContact CE-CB 4.41Å; M253-A288 HydrophobicContact SD-CB 3.24Å; M253-A288 WeakPolarHBondContact SD-CB 3.23Å; L269-A288 HydrophobicContact CD2-CB 3.57Å; V273-A288 HydrophobicContact CG1-CB 4.28Å; A288-V295 VanDerWaalsContact O-CA 3.31Å; A288-V295 WeakPolarHBondContact O-CA 3.06Å; A288-K296 PolarHBondContact N-O 2.77Å; A288-K296 PolarHBondContact O-N 2.77Å; A288-Y298 HydrophobicContact CB-CD2 4.27Å; A288-Y298 HydrophobicContact CB-CE2 3.86Å
289	G	98.7	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.2	174	0	0	0	0	0	110.3	V273 W274 S275 L326	V273-G289 WeakPolarHBondContact CG1-O 3.49Å; W274-G289 PolarHBondContact N-O 3.49Å; S275-G289 PolarHBondContact N-O 2.92Å; S275-G289 PolarHBondContact O-N 3.17Å; G289-L326 VanDerWaalsContact N-CD1 3.27Å
290	T	98.7	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	160.6	-171.2	63.6	0	0	0	0	113.5	L269 S271 Q272 T292 G293 Q294 I323	L269-T290 HydrophobicContact CD2-CG2 3.82Å; S271-T290 VanDerWaalsContact OG-CB 3.23Å; S271-T290 WeakPolarHBondContact OG-CB 3.45Å; S271-T290 VanDerWaalsContact OG-CG2 3.31Å; S271-T290 WeakPolarHBondContact OG-CG2 3.36Å; Q272-T290 CarbonylContact O-C 3.55Å; Q272-T290 WeakPolarHBondContact O-CA 3.21Å; T290-T292 PolarHBondContact O-N 3.23Å; T290-T292 VanDerWaalsContact O-N 3.16Å; T290-T292 PolarHBondContact OG1-OG1 3.18Å; T290-G293 PolarHBondContact O-N 2.78Å; T290-G293 VanDerWaalsContact O-N 3.08Å; T290-Q294 HydrophobicContact CG2-CB 4.47Å; T290-Q294 PolarHBondContact N-O 2.84Å; T290-Q294 WeakPolarHBondContact OG1-CA 3.26Å; T290-Q294 WeakPolarHBondContact OG1-CB 3.16Å; T290-Q294 PolarHBondContact OG1-N 3.04Å; T290-Q294 PolarHBondContact OG1-O 3.26Å; T290-I323 PolarHBondContact O-N 3.36Å
291	S	98.2	Very high	96.8	Very high	30 Å²	30	30.7 Å²	30.7	21%	0.21	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.4	171.7	67.5	0	0	0	0	113.3	Q272 P322	Q272-S291 PolarHBondContact O-N 3.03Å; S291-P322 WeakPolarHBondContact O-CG 3.48Å
292	T	98.1	Very high	96.8	Very high	67 Å²	67	33 Å²	33	41%	0.411	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.7	178.8	44.5	0	0	0	0	113.2	S271 T290	S271-T292 PolarHBondContact OG-OG1 3.45Å; T290-T292 PolarHBondContact O-N 3.23Å; T290-T292 VanDerWaalsContact O-N 3.16Å; T290-T292 PolarHBondContact OG1-OG1 3.18Å
293	G	98.2	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	84.7	7.7	-179.8	0	0	0	0	0	115.7	T290 N318 M319 K321	T290-G293 PolarHBondContact O-N 2.78Å; T290-G293 VanDerWaalsContact O-N 3.08Å; G293-N318 CarbonylContact O-C 3.57Å; G293-N318 VanDerWaalsContact O-CA 3.29Å; G293-N318 WeakPolarHBondContact O-CA 3.29Å; G293-N318 PolarHBondContact O-OD1 3.01Å; G293-M319 PolarHBondContact O-N 3.26Å; G293-K321 WeakPolarHBondContact CA-O 3.47Å; G293-K321 PolarHBondContact N-O 2.87Å
294	Q	98.5	Very high	95.8	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.5	171.9	-55.4	-179.5	-63.1	0	0	109.9	T290 C317 N318	T290-Q294 HydrophobicContact CG2-CB 4.47Å; T290-Q294 PolarHBondContact N-O 2.84Å; T290-Q294 WeakPolarHBondContact OG1-CA 3.26Å; T290-Q294 WeakPolarHBondContact OG1-CB 3.16Å; T290-Q294 PolarHBondContact OG1-N 3.04Å; T290-Q294 PolarHBondContact OG1-O 3.26Å; Q294-C317 WeakPolarHBondContact CA-O 3.3Å; Q294-N318 HydrophobicContact CG-CB 4.47Å
295	V	98.5	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.3	168.3	-179.6	0	0	0	0	108.5	A288 V316 C317 I323 L326 L341 I343	A288-V295 VanDerWaalsContact O-CA 3.31Å; A288-V295 WeakPolarHBondContact O-CA 3.06Å; V295-V316 HydrophobicContact CB-CB 4.25Å; V295-V316 HydrophobicContact CG1-CB 4.05Å; V295-V316 HydrophobicContact CG1-CG2 4.29Å; V295-V316 PolarHBondContact O-N 3.33Å; V295-C317 PolarHBondContact N-O 3.47Å; V295-C317 PolarHBondContact O-N 3.19Å; V295-I323 HydrophobicContact CG2-CD1 3.81Å; V295-I323 HydrophobicContact CG2-CG1 3.7Å; V295-I323 HydrophobicContact CG2-CG2 4.16Å; V295-L326 HydrophobicContact CG1-CD1 4.34Å; V295-L326 HydrophobicContact CG1-CD2 4.03Å; V295-L326 HydrophobicContact CG2-CD2 4.16Å; V295-L341 HydrophobicContact CG1-CD2 3.81Å; V295-I343 HydrophobicContact CB-CD1 4.44Å; V295-I343 HydrophobicContact CG1-CD1 4.3Å; V295-I343 HydrophobicContact CG2-CD1 4.13Å; V295-I343 HydrophobicContact CG2-CG2 4.01Å
296	K	98	Very high	93.4	Very high	19 Å²	19	42.6 Å²	42.6	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.1	-173.3	-65.5	-174.5	172.3	-174	0	110.9	F287 A288 Y298 P312 D315	F287-K296 CarbonylContact C-O 3.55Å; F287-K296 WeakPolarHBondContact CA-O 3.14Å; A288-K296 PolarHBondContact N-O 2.77Å; A288-K296 PolarHBondContact O-N 2.77Å; K296-Y298 HydrophobicContact CB-CD2 4.37Å; K296-Y298 HydrophobicContact CB-CE2 3.59Å; K296-Y298 HydrophobicContact CD-CE2 4.45Å; K296-Y298 VanDerWaalsContact CD-OH 3.32Å; K296-Y298 WeakPolarHBondContact CD-OH 3.37Å; K296-P312 HydrophobicContact CB-CB 4.06Å; K296-P312 HydrophobicContact CD-CB 4.32Å; K296-P312 HydrophobicContact CD-CG 4.17Å; K296-P312 HydrophobicContact CG-CB 4.45Å; K296-D315 WeakPolarHBondContact CE-OD1 3.24Å; K296-D315 WeakPolarHBondContact CG-OD1 3.44Å
297	L	97.4	Very high	92.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	132.3	174.1	176.7	58.4	0	0	0	109.9	R285 F287 P312 V313 L314 V316 F361	R285-L297 HydrophobicContact CB-CD1 3.83Å; F287-L297 HydrophobicContact CD1-CB 4.12Å; F287-L297 HydrophobicContact CD1-CD1 3.94Å; F287-L297 HydrophobicContact CD2-CD1 4.47Å; F287-L297 HydrophobicContact CE1-CB 3.95Å; F287-L297 HydrophobicContact CE1-CD1 3.58Å; F287-L297 HydrophobicContact CE1-CD2 4.31Å; F287-L297 HydrophobicContact CE1-CG 4.15Å; F287-L297 HydrophobicContact CE2-CD1 4.14Å; F287-L297 HydrophobicContact CG-CD1 4.37Å; F287-L297 HydrophobicContact CZ-CD1 3.67Å; L297-P312 CarbonylContact O-C 3.48Å; L297-P312 WeakPolarHBondContact O-CA 3.32Å; L297-P312 WeakPolarHBondContact O-CB 3.43Å; L297-V313 HydrophobicContact CG-CB 4.34Å; L297-V313 PolarHBondContact O-N 3.38Å; L297-L314 HydrophobicContact CB-CB 4.1Å; L297-L314 HydrophobicContact CD2-CB 4.3Å; L297-L314 PolarHBondContact N-O 2.96Å; L297-L314 PolarHBondContact O-N 3.1Å; L297-V316 HydrophobicContact CB-CG2 4.25Å; L297-F361 HydrophobicContact CD2-CE2 4.44Å
298	Y	97.1	Very high	91.9	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.5	173.3	-63.2	-91.4	0	0	0	110.1	I267 L269 R285 V286 A288 K296 D310 P312	I267-Y298 HydrophobicContact CD1-CD2 4.44Å; I267-Y298 HydrophobicContact CD1-CG 4.07Å; I267-Y298 HydrophobicContact CG2-CD1 3.6Å; I267-Y298 HydrophobicContact CG2-CD2 4.11Å; I267-Y298 HydrophobicContact CG2-CE1 3.7Å; I267-Y298 HydrophobicContact CG2-CE2 4.18Å; I267-Y298 HydrophobicContact CG2-CG 3.82Å; L269-Y298 HydrophobicContact CD1-CE2 4.39Å; L269-Y298 HydrophobicContact CD2-CE2 4.1Å; L269-Y298 HydrophobicContact CG-CE2 4.31Å; L269-Y298 WeakPolarHBondContact CG-OH 3.46Å; R285-Y298 CarbonylContact C-O 3.59Å; R285-Y298 VanDerWaalsContact CA-O 3.3Å; R285-Y298 WeakPolarHBondContact CA-O 3.3Å; V286-Y298 PolarHBondContact N-O 2.86Å; V286-Y298 PolarHBondContact O-N 2.88Å; A288-Y298 HydrophobicContact CB-CD2 4.27Å; A288-Y298 HydrophobicContact CB-CE2 3.86Å; K296-Y298 HydrophobicContact CB-CD2 4.37Å; K296-Y298 HydrophobicContact CB-CE2 3.59Å; K296-Y298 HydrophobicContact CD-CE2 4.45Å; K296-Y298 VanDerWaalsContact CD-OH 3.32Å; K296-Y298 WeakPolarHBondContact CD-OH 3.37Å; Y298-D310 HydrophobicContact CD1-CB 4.28Å; Y298-D310 HydrophobicContact CE1-CB 3.99Å; Y298-P312 HydrophobicContact CD1-CB 4.27Å; Y298-P312 HydrophobicContact CE1-CB 3.83Å; Y298-P312 HydrophobicContact CE2-CB 4.41Å
299	D	95.6	Very high	91.4	Very high	8 Å²	8	58 Å²	58	4%	0.043	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.5	168.8	-172.5	-35.6	0	0	0	108.5	R301 M302 V313	D299-R301 PolarHBondContact O-N 3.12Å; D299-R301 VanDerWaalsContact O-N 3.09Å; D299-R301 WeakPolarHBondContact OD1-CB 3.18Å; D299-R301 WeakPolarHBondContact OD1-CG 3.33Å; D299-R301 IonicContact OD1-CZ 3.21Å; D299-R301 PolarHBondContact OD1-N 2.9Å; D299-R301 IonicContact OD1-NE 3.76Å; D299-R301 PolarHBondContact OD1-NE 2.79Å; D299-R301 IonicContact OD1-NH2 3.36Å; D299-R301 IonicContact OD2-CZ 3.46Å; D299-R301 IonicContact OD2-NE 3.88Å; D299-R301 PolarHBondContact OD2-NE 2.83Å; D299-R301 IonicContact OD2-NH2 3.75Å; D299-R301 PolarHBondContact OD2-NH2 2.92Å; D299-M302 HydrophobicContact CB-CB 4.47Å; D299-M302 HydrophobicContact CB-CG 4.19Å; D299-M302 HydrophobicContact CB-SD 4.44Å; D299-M302 PolarHBondContact O-N 2.87Å; D299-V313 HydrophobicContact CB-CG2 3.81Å
300	L	94.9	Very high	91.1	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.188	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.9	-178.8	-67.7	174.3	0	0	0	112.7	V255 A265 I267 Y278 H284 V286 M302	V255-L300 HydrophobicContact CG2-CD1 4.15Å; V255-L300 HydrophobicContact CG2-CD2 3.79Å; A265-L300 HydrophobicContact CB-CD2 4.4Å; I267-L300 HydrophobicContact CD1-CD2 3.99Å; Y278-L300 HydrophobicContact CE1-CD1 4.38Å; H284-L300 WeakPolarHBondContact O-CB 3.44Å; H284-L300 WeakPolarHBondContact O-CG 3.48Å; H284-L300 PolarHBondContact O-N 3.01Å; V286-L300 HydrophobicContact CG1-CD1 3.99Å; V286-L300 HydrophobicContact CG1-CD2 4.39Å; V286-L300 HydrophobicContact CG1-CG 4.19Å; V286-L300 HydrophobicContact CG2-CD2 4.02Å; V286-L300 HydrophobicContact CG2-CG 4.3Å; L300-M302 VanDerWaalsContact C-N 3.31Å
301	R	94	Very high	90.9	Very high	154 Å²	154	64.9 Å²	64.9	58%	0.581	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-16	177.5	-55.9	171	-68.5	-164	-4.6	113	D282 H284 D299	D282-R301 IonicContact OD2-NH2 3.39Å; H284-R301 HydrophobicContact CB-CG 4.32Å; D299-R301 PolarHBondContact O-N 3.12Å; D299-R301 VanDerWaalsContact O-N 3.09Å; D299-R301 WeakPolarHBondContact OD1-CB 3.18Å; D299-R301 WeakPolarHBondContact OD1-CG 3.33Å; D299-R301 IonicContact OD1-CZ 3.21Å; D299-R301 PolarHBondContact OD1-N 2.9Å; D299-R301 IonicContact OD1-NE 3.76Å; D299-R301 PolarHBondContact OD1-NE 2.79Å; D299-R301 IonicContact OD1-NH2 3.36Å; D299-R301 IonicContact OD2-CZ 3.46Å; D299-R301 IonicContact OD2-NE 3.88Å; D299-R301 PolarHBondContact OD2-NE 2.83Å; D299-R301 IonicContact OD2-NH2 3.75Å; D299-R301 PolarHBondContact OD2-NH2 2.92Å
302	M	91.5	Very high	90.7	Very high	132 Å²	132	64.8 Å²	64.8	65%	0.65	34%	0.34	S	S	*	.	S	Bend	trans	-105.7	-2	-178	-60.7	-170.2	-178.3	0	0	113.5	D299 L300 R304	D299-M302 HydrophobicContact CB-CB 4.47Å; D299-M302 HydrophobicContact CB-CG 4.19Å; D299-M302 HydrophobicContact CB-SD 4.44Å; D299-M302 PolarHBondContact O-N 2.87Å; L300-M302 VanDerWaalsContact C-N 3.31Å; M302-R304 PolarHBondContact O-N 3.34Å
303	V	88.2	Confident	90.6	Very high	38 Å²	38	64.2 Å²	64.2	23%	0.23	34%	0.336	C	S	.	.			trans	-64.8	130.4	-178.6	177.8	0	0	0	0	110.1	S266 I267	S266-V303 WeakPolarHBondContact O-CG1 3.31Å; I267-V303 HydrophobicContact CD1-CG2 4.17Å; I267-V303 HydrophobicContact CG1-CG1 4.26Å; I267-V303 HydrophobicContact CG1-CG2 3.75Å
304	R	79.3	Confident	90.4	Very high	167 Å²	167	66.5 Å²	66.5	63%	0.63	35%	0.348	S	S	*	.			trans	-99.8	138.3	-177.5	-63.7	-179.2	177	174.6	-0.8	109.3	M302 S306 D310	M302-R304 PolarHBondContact O-N 3.34Å; R304-S306 PolarHBondContact O-N 2.99Å; R304-D310 PolarHBondContact N-OD1 3.41Å
305	S	68.4	Low	90.3	Very high	136 Å²	136	68.9 Å²	68.9	95%	0.951	36%	0.362	S	S	*	.			trans	-80.4	51.3	172	67.7	0	0	0	0	111.6
306	S	73.5	Confident	90.2	Very high	53 Å²	53	69.8 Å²	69.8	37%	0.371	37%	0.368	S	S	.	.	S	Bend	trans	-110.2	162	-179.9	56.3	0	0	0	0	111.7	R304 D308	R304-S306 PolarHBondContact O-N 2.99Å; S306-D308 PolarHBondContact O-N 3.44Å
307	D	76.6	Confident	90.2	Very high	137 Å²	137	69.8 Å²	69.8	73%	0.733	37%	0.37	S	S	*	.	S	Bend	trans	-74.3	-14.3	174.1	-84.5	-43.5	0	0	0	114.1	R268	R268-D307 WeakPolarHBondContact CD-O 3.23Å; R268-D307 PolarHBondContact NH1-O 3.01Å; R268-D307 IonicContact NH1-OD1 3.79Å; R268-D307 PolarHBondContact NH1-OD1 3.34Å
308	D	87.7	Confident	90.2	Very high	121 Å²	121	73.8 Å²	73.8	65%	0.647	39%	0.391	S	S	*	.	S	Bend	trans	-74.8	168	177.1	-68.3	-38.5	0	0	0	112.7	S306	S306-D308 PolarHBondContact O-N 3.44Å
309	C	88.7	Confident	90.1	Very high	65 Å²	65	74.2 Å²	74.2	44%	0.439	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-69.7	138.4	172.1	-63.8	0	0	0	0	110.5	R268	R268-C309 CarbonylContact O-C 3.59Å; R268-C309 WeakPolarHBondContact O-CA 3.33Å
310	D	93.4	Very high	90.2	Very high	16 Å²	16	84.1 Å²	84.1	9%	0.086	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-68.4	148.4	173.6	-71.2	-77.7	0	0	0	111.1	I267 R268 Y298 R304	I267-D310 VanDerWaalsContact CA-OD2 3.26Å; I267-D310 WeakPolarHBondContact CA-OD2 3.37Å; I267-D310 HydrophobicContact CG2-CB 3.79Å; R268-D310 PolarHBondContact N-OD2 2.9Å; R268-D310 PolarHBondContact O-N 2.89Å; Y298-D310 HydrophobicContact CD1-CB 4.28Å; Y298-D310 HydrophobicContact CE1-CB 3.99Å; R304-D310 PolarHBondContact N-OD1 3.41Å
311	I	93.4	Very high	90.3	Very high	129 Å²	129	86 Å²	86	66%	0.662	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-90.1	121.5	-179.6	-58.1	172.4	0	0	0	107.9
312	P	95.1	Very high	90.5	Very high	29 Å²	29	80.3 Å²	80.3	19%	0.188	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.9	175.2	30.3	-35.5	0	0	0	110.7	K296 L297 Y298 L314	K296-P312 HydrophobicContact CB-CB 4.06Å; K296-P312 HydrophobicContact CD-CB 4.32Å; K296-P312 HydrophobicContact CD-CG 4.17Å; K296-P312 HydrophobicContact CG-CB 4.45Å; L297-P312 CarbonylContact O-C 3.48Å; L297-P312 WeakPolarHBondContact O-CA 3.32Å; L297-P312 WeakPolarHBondContact O-CB 3.43Å; Y298-P312 HydrophobicContact CD1-CB 4.27Å; Y298-P312 HydrophobicContact CE1-CB 3.83Å; Y298-P312 HydrophobicContact CE2-CB 4.41Å; P312-L314 VanDerWaalsContact C-N 3.27Å
313	V	94.3	Very high	90.9	Very high	54 Å²	54	74 Å²	74	33%	0.327	39%	0.389	S	S	.	.	S	Bend	trans	-65.6	-37.8	168.7	177.9	0	0	0	0	109.9	L297 D299	L297-V313 HydrophobicContact CG-CB 4.34Å; L297-V313 PolarHBondContact O-N 3.38Å; D299-V313 HydrophobicContact CB-CG2 3.81Å
314	L	95.5	Very high	91.3	Very high	48 Å²	48	72.9 Å²	72.9	25%	0.251	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	135.9	-177.9	-178.8	71	0	0	0	110.9	L297 P312 V316 N359 F361	L297-L314 HydrophobicContact CB-CB 4.1Å; L297-L314 HydrophobicContact CD2-CB 4.3Å; L297-L314 PolarHBondContact N-O 2.96Å; L297-L314 PolarHBondContact O-N 3.1Å; P312-L314 VanDerWaalsContact C-N 3.27Å; L314-V316 HydrophobicContact CD2-CG2 4.18Å; L314-V316 HydrophobicContact CG-CG2 4.49Å; L314-V316 PolarHBondContact O-N 3.37Å; L314-N359 VanDerWaalsContact CD2-O 3.3Å; L314-N359 WeakPolarHBondContact CD2-O 3.35Å; L314-F361 HydrophobicContact CD2-CD2 3.67Å; L314-F361 HydrophobicContact CD2-CE2 4.12Å
315	D	96.3	Very high	92.2	Very high	98 Å²	98	65.3 Å²	65.3	52%	0.524	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	100.1	160.6	-71.2	-60.2	0	0	0	108.2	K296	K296-D315 WeakPolarHBondContact CE-OD1 3.24Å; K296-D315 WeakPolarHBondContact CG-OD1 3.44Å
316	V	96.4	Very high	93.7	Very high	19 Å²	19	58.9 Å²	58.9	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-49.3	-173.6	-179.9	0	0	0	0	110.9	F287 V295 L297 L314 L341 Y352 F361	F287-V316 HydrophobicContact CD1-CG2 4.06Å; F287-V316 HydrophobicContact CE1-CG2 3.93Å; V295-V316 HydrophobicContact CB-CB 4.25Å; V295-V316 HydrophobicContact CG1-CB 4.05Å; V295-V316 HydrophobicContact CG1-CG2 4.29Å; V295-V316 PolarHBondContact O-N 3.33Å; L297-V316 HydrophobicContact CB-CG2 4.25Å; L314-V316 HydrophobicContact CD2-CG2 4.18Å; L314-V316 HydrophobicContact CG-CG2 4.49Å; L314-V316 PolarHBondContact O-N 3.37Å; V316-L341 HydrophobicContact CG1-CD2 4.49Å; V316-Y352 HydrophobicContact CG1-CD1 3.77Å; V316-Y352 HydrophobicContact CG1-CE1 4.25Å; V316-Y352 HydrophobicContact CG1-CG 4.21Å; V316-F361 HydrophobicContact CG1-CB 4.35Å; V316-F361 HydrophobicContact CG1-CG 4.38Å
317	C	96.6	Very high	94.9	Very high	19 Å²	19	58.7 Å²	58.7	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	172.5	178.3	71.8	0	0	0	0	113.1	Q294 V295 Y352	Q294-C317 WeakPolarHBondContact CA-O 3.3Å; V295-C317 PolarHBondContact N-O 3.47Å; V295-C317 PolarHBondContact O-N 3.19Å; C317-Y352 HydrophobicContact CB-CE1 3.55Å; C317-Y352 HydrophobicContact CB-CE2 4.28Å; C317-Y352 WeakPolarHBondContact CB-OH 3.41Å
318	N	97.2	Very high	95.9	Very high	85 Å²	85	52.5 Å²	52.5	46%	0.455	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	98.8	170.9	-175	2.5	0	0	0	112	G293 Q294 R320	G293-N318 CarbonylContact O-C 3.57Å; G293-N318 VanDerWaalsContact O-CA 3.29Å; G293-N318 WeakPolarHBondContact O-CA 3.29Å; G293-N318 PolarHBondContact O-OD1 3.01Å; Q294-N318 HydrophobicContact CG-CB 4.47Å; N318-R320 VanDerWaalsContact C-N 3.28Å; N318-R320 PolarHBondContact O-N 2.98Å; N318-R320 PolarHBondContact OD1-N 3.24Å
319	M	96.5	Very high	96.3	Very high	15 Å²	15	47 Å²	47	7%	0.074	24%	0.238	C	C	.	.			trans	-82	-2.5	179	-54.2	-177.4	85.4	0	0	113.3	G293 K321 I323 I343 E348 A350	G293-M319 PolarHBondContact O-N 3.26Å; M319-K321 PolarHBondContact O-N 3.16Å; M319-I323 HydrophobicContact CB-CD1 4.25Å; M319-I323 HydrophobicContact CG-CD1 4.2Å; M319-I323 HydrophobicContact SD-CD1 3.9Å; M319-I343 HydrophobicContact SD-CB 4.45Å; M319-I343 HydrophobicContact SD-CG2 3.6Å; M319-E348 HydrophobicContact CE-CB 3.3Å; M319-E348 HydrophobicContact CE-CG 4.43Å; M319-A350 HydrophobicContact CE-CB 4.17Å
320	R	97.1	Very high	96.6	Very high	216 Å²	216	47.7 Å²	47.7	82%	0.815	24%	0.235	S	C	*	.	S	Bend	trans	56.9	12	179.2	-53.1	-179	-179.6	180	0.1	115.8	N318	N318-R320 VanDerWaalsContact C-N 3.28Å; N318-R320 PolarHBondContact O-N 2.98Å; N318-R320 PolarHBondContact OD1-N 3.24Å
321	K	97.3	Very high	96.7	Very high	76 Å²	76	52.1 Å²	52.1	33%	0.33	25%	0.253	S	S	.	.	S	Bend	trans	-134.4	147.2	176.7	-67.3	173.8	-173.1	153.7	0	108.9	G293 M319 I323 S347 E348	G293-K321 WeakPolarHBondContact CA-O 3.47Å; G293-K321 PolarHBondContact N-O 2.87Å; M319-K321 PolarHBondContact O-N 3.16Å; K321-I323 PolarHBondContact O-N 2.95Å; K321-S347 WeakPolarHBondContact CD-OG 3.32Å; K321-S347 VanDerWaalsContact CE-OG 3.31Å; K321-S347 WeakPolarHBondContact CE-OG 3.25Å; K321-S347 PolarHBondContact NZ-OG 2.79Å; K321-E348 IonicContact NZ-OE1 2.87Å; K321-E348 PolarHBondContact NZ-OE1 3.5Å
322	P	98.2	Very high	96.6	Very high	33 Å²	33	46.9 Å²	46.9	21%	0.214	23%	0.226	C	C	.	.			trans	-51.3	129.9	-175.1	-24	30.6	0	0	0	112.4	W274 S291 L324 S345 T346	W274-P322 HydrophobicContact CD2-CB 3.83Å; W274-P322 HydrophobicContact CE3-CB 3.5Å; W274-P322 VanDerWaalsContact CE3-CB 3.5Å; W274-P322 HydrophobicContact CH2-CB 3.82Å; W274-P322 HydrophobicContact CH2-CG 4.09Å; W274-P322 HydrophobicContact CZ2-CB 4.12Å; W274-P322 HydrophobicContact CZ2-CG 4.38Å; W274-P322 HydrophobicContact CZ3-CB 3.5Å; W274-P322 VanDerWaalsContact CZ3-CB 3.5Å; W274-P322 HydrophobicContact CZ3-CG 4.21Å; S291-P322 WeakPolarHBondContact O-CG 3.48Å; P322-L324 PolarHBondContact O-N 2.89Å; P322-S345 VanDerWaalsContact O-CA 3.25Å; P322-S345 WeakPolarHBondContact O-CA 3.41Å; P322-T346 HydrophobicContact CB-CG2 4.2Å; P322-T346 HydrophobicContact CG-CG2 4.4Å; P322-T346 PolarHBondContact O-N 3.23Å
323	I	98.7	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.1	177	-51.8	-58.2	0	0	0	108.1	W274 S275 T290 V295 M319 K321 L326 I343	W274-I323 WeakPolarHBondContact CB-O 3.35Å; S275-I323 WeakPolarHBondContact OG-CG2 3.45Å; S275-I323 PolarHBondContact OG-O 2.98Å; T290-I323 PolarHBondContact O-N 3.36Å; V295-I323 HydrophobicContact CG2-CD1 3.81Å; V295-I323 HydrophobicContact CG2-CG1 3.7Å; V295-I323 HydrophobicContact CG2-CG2 4.16Å; M319-I323 HydrophobicContact CB-CD1 4.25Å; M319-I323 HydrophobicContact CG-CD1 4.2Å; M319-I323 HydrophobicContact SD-CD1 3.9Å; K321-I323 PolarHBondContact O-N 2.95Å; I323-L326 HydrophobicContact CG2-CD1 4.46Å; I323-L326 HydrophobicContact CG2-CD2 3.93Å; I323-L326 HydrophobicContact CG2-CG 3.89Å; I323-I343 HydrophobicContact CD1-CG2 4.14Å; I323-I343 HydrophobicContact CG2-CG2 3.99Å
324	L	97.9	Very high	96.1	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-39.4	-173.3	171.6	67.4	0	0	0	112.3	P322 A344 I372 T373 L435	P322-L324 PolarHBondContact O-N 2.89Å; L324-A344 WeakPolarHBondContact CA-O 3.28Å; L324-A344 WeakPolarHBondContact CB-O 3.23Å; L324-A344 PolarHBondContact N-O 3.47Å; L324-I372 HydrophobicContact CD2-CG2 4.04Å; L324-T373 VanDerWaalsContact CD2-C 3.46Å; L324-L435 HydrophobicContact CD1-CD1 3.69Å; L324-L435 HydrophobicContact CD1-CD2 4.08Å; L324-L435 HydrophobicContact CD1-CG 4.32Å
325	S	98.3	Very high	95.8	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.3	-176.6	-172	0	0	0	0	110.2	A344 L375	S325-A344 PolarHBondContact N-O 3.43Å; S325-A344 VanDerWaalsContact N-O 3.13Å; S325-A344 PolarHBondContact O-N 3.08Å; S325-L375 PolarHBondContact OG-O 3.05Å; S325-L375 VanDerWaalsContact OG-O 3.09Å
326	L	98.6	Very high	95.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.1	170.4	-73.5	174.8	0	0	0	107.9	S275 C277 F287 G289 V295 I323 L341 I343	S275-L326 WeakPolarHBondContact OG-CG 3.5Å; C277-L326 HydrophobicContact CB-CB 4.16Å; C277-L326 WeakPolarHBondContact CB-O 3.37Å; F287-L326 HydrophobicContact CB-CD1 4.01Å; G289-L326 VanDerWaalsContact N-CD1 3.27Å; V295-L326 HydrophobicContact CG1-CD1 4.34Å; V295-L326 HydrophobicContact CG1-CD2 4.03Å; V295-L326 HydrophobicContact CG2-CD2 4.16Å; I323-L326 HydrophobicContact CG2-CD1 4.46Å; I323-L326 HydrophobicContact CG2-CD2 3.93Å; I323-L326 HydrophobicContact CG2-CG 3.89Å; L326-L341 HydrophobicContact CD2-CD1 4.28Å; L326-L341 HydrophobicContact CD2-CD2 4.01Å; L326-L341 HydrophobicContact CD2-CG 4.18Å; L326-I343 HydrophobicContact CD2-CB 4.2Å; L326-I343 HydrophobicContact CD2-CD1 4.45Å; L326-I343 HydrophobicContact CD2-CG1 3.79Å; L326-I343 HydrophobicContact CD2-CG2 3.93Å
327	R	98.2	Very high	95.3	Very high	50 Å²	50	55.1 Å²	55.1	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.5	176.3	-66.8	-63.6	-175	-166.6	5.2	110.2	M342 L375 L377	R327-M342 HydrophobicContact CB-CB 4.35Å; R327-M342 PolarHBondContact N-O 2.91Å; R327-M342 PolarHBondContact O-N 2.97Å; R327-L375 HydrophobicContact CB-CD2 4.17Å; R327-L375 HydrophobicContact CG-CD2 3.79Å; R327-L377 HydrophobicContact CB-CB 3.97Å; R327-L377 HydrophobicContact CB-CD2 3.98Å; R327-L377 HydrophobicContact CG-CB 4.23Å
328	W	97.9	Very high	95.1	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.5	170.5	-169.8	-102	0	0	0	110	D279 D281 F287 L341 K354 F361 L377 N379	D279-W328 HydrophobicContact CB-CE3 4.43Å; D279-W328 HydrophobicContact CB-CH2 4.45Å; D279-W328 HydrophobicContact CB-CZ3 4.32Å; D279-W328 WeakPolarHBondContact OD1-CH2 3.29Å; D279-W328 WeakPolarHBondContact OD1-CZ2 3.34Å; D279-W328 WeakPolarHBondContact OD2-CH2 3.5Å; D281-W328 HydrophobicContact CB-CZ2 4.44Å; D281-W328 PolarHBondContact OD1-NE1 2.88Å; D281-W328 WeakPolarHBondContact OD2-CZ2 3.24Å; F287-W328 AromaticContact CE2-CE3 3.73Å; F287-W328 HydrophobicContact CE2-CE3 3.73Å; F287-W328 AromaticContact CE2-CZ3 3.55Å; F287-W328 HydrophobicContact CE2-CZ3 3.55Å; F287-W328 HydrophobicContact CZ-CE3 4.28Å; F287-W328 AromaticContact CZ-CZ3 3.66Å; F287-W328 HydrophobicContact CZ-CZ3 3.66Å; W328-L341 HydrophobicContact CE3-CD1 4.41Å; W328-K354 HydrophobicContact CH2-CB 4.37Å; W328-K354 HydrophobicContact CH2-CD 3.77Å; W328-K354 HydrophobicContact CH2-CG 4.37Å; W328-K354 HydrophobicContact CZ2-CD 3.96Å; W328-F361 HydrophobicContact CH2-CE1 4.15Å; W328-F361 HydrophobicContact CH2-CZ 4.24Å; W328-F361 HydrophobicContact CZ3-CE1 4.03Å; W328-F361 HydrophobicContact CZ3-CZ 4.16Å; W328-L377 WeakPolarHBondContact O-CD2 3.4Å; W328-N379 PolarHBondContact O-ND2 2.7Å; W328-N379 VanDerWaalsContact O-ND2 3.09Å; W328-N379 PolarHBondContact O-OD1 3.21Å
329	S	96.9	Very high	95	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.2	169	-174.2	0	0	0	0	108.7	S339 G340	S329-S339 CarbonylContact O-C 3.46Å; S329-S339 WeakPolarHBondContact O-CA 3.33Å; S329-G340 PolarHBondContact N-O 2.83Å; S329-G340 PolarHBondContact O-N 2.88Å
330	E	95.6	Very high	95	Very high	78 Å²	78	51.4 Å²	51.4	36%	0.364	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-77.2	156	173.1	-73.6	164.1	-144.7	0	0	111.1	Q332 N379	E330-Q332 PolarHBondContact O-N 2.89Å; E330-Q332 PolarHBondContact O-NE2 2.81Å; E330-N379 HydrophobicContact CB-CB 4.45Å; E330-N379 HydrophobicContact CG-CB 4.46Å; E330-N379 PolarHBondContact N-OD1 3.22Å; E330-N379 PolarHBondContact OE1-ND2 2.87Å
331	F	94.4	Very high	95	Very high	109 Å²	109	41.1 Å²	41.1	48%	0.478	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-52.6	123.8	174.2	176.6	-102.7	0	0	0	112	I337 S339	F331-I337 WeakPolarHBondContact CA-O 3.02Å; F331-I337 VanDerWaalsContact CD2-O 3.28Å; F331-I337 WeakPolarHBondContact CD2-O 3.36Å; F331-S339 PolarHBondContact N-OG 3.43Å
332	Q	92.2	Very high	95	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.089	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-99.4	111.8	178.3	-58.2	-60.5	-56.8	0	0	109.6	E330 T335 R336 I337 N379	E330-Q332 PolarHBondContact O-N 2.89Å; E330-Q332 PolarHBondContact O-NE2 2.81Å; Q332-T335 WeakPolarHBondContact CB-OG1 3.37Å; Q332-R336 WeakPolarHBondContact O-CA 3.47Å; Q332-R336 PolarHBondContact O-N 2.82Å; Q332-I337 HydrophobicContact CB-CB 4.23Å; Q332-I337 HydrophobicContact CG-CB 4.47Å; Q332-I337 PolarHBondContact N-O 2.8Å; Q332-I337 PolarHBondContact O-N 3.26Å; Q332-N379 PolarHBondContact NE2-O 2.85Å
333	S	89.4	Confident	95	Very high	96 Å²	96	36 Å²	36	67%	0.671	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-32.8	-173.3	58.6	0	0	0	0	113.5
334	D	88.5	Confident	95	Very high	120 Å²	120	36 Å²	36	64%	0.642	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-45.7	-178.5	63.7	-25.4	0	0	0	112.7
335	T	88.7	Confident	95	Very high	39 Å²	39	35.4 Å²	35.4	24%	0.239	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7.6	-177.2	51.2	0	0	0	0	112.7	Q332 I337	Q332-T335 WeakPolarHBondContact CB-OG1 3.37Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-I337 WeakPolarHBondContact OG1-CD1 3.44Å
336	R	89.9	Confident	94.9	Very high	160 Å²	160	36.9 Å²	36.9	60%	0.604	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	30.7	-178.2	-62.5	-77.4	-65.9	-84.9	-2.1	112.8	Q332	Q332-R336 WeakPolarHBondContact O-CA 3.47Å; Q332-R336 PolarHBondContact O-N 2.82Å
337	I	92.5	Very high	94.7	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-80.7	126.1	175.1	-64.4	168.3	0	0	0	108	F331 Q332 T335 F351 L404 Y418	F331-I337 WeakPolarHBondContact CA-O 3.02Å; F331-I337 VanDerWaalsContact CD2-O 3.28Å; F331-I337 WeakPolarHBondContact CD2-O 3.36Å; Q332-I337 HydrophobicContact CB-CB 4.23Å; Q332-I337 HydrophobicContact CG-CB 4.47Å; Q332-I337 PolarHBondContact N-O 2.8Å; Q332-I337 PolarHBondContact O-N 3.26Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-I337 WeakPolarHBondContact OG1-CD1 3.44Å; I337-F351 HydrophobicContact CG2-CE1 3.93Å; I337-F351 HydrophobicContact CG2-CZ 3.81Å; I337-L404 VanDerWaalsContact CD1-C 3.41Å; I337-L404 HydrophobicContact CD1-CB 3.4Å; I337-L404 VanDerWaalsContact CD1-CB 3.4Å; I337-L404 WeakPolarHBondContact CD1-O 3.5Å; I337-Y418 HydrophobicContact CG1-CD1 4.48Å; I337-Y418 HydrophobicContact CG2-CE1 4.45Å
338	P	93.1	Very high	94.6	Very high	28 Å²	28	38.6 Å²	38.6	18%	0.182	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-64.7	162.3	178.6	29.5	-35.4	0	0	0	112	A353 Y418	P338-A353 HydrophobicContact CG-CB 3.67Å; P338-Y418 WeakPolarHBondContact CD-OH 3.35Å; P338-Y418 HydrophobicContact CG-CE1 4.42Å; P338-Y418 WeakPolarHBondContact CG-OH 3.5Å
339	S	95.2	Very high	94.6	Very high	14 Å²	14	38.2 Å²	38.2	10%	0.098	20%	0.198	C	C	.	.	S	Bend	trans	-57	150.6	163.7	-58.5	0	0	0	0	109.9	D281 S329 F331 K354	D281-S339 VanDerWaalsContact OD2-CB 3.23Å; D281-S339 WeakPolarHBondContact OD2-CB 3.34Å; D281-S339 PolarHBondContact OD2-OG 3.09Å; D281-S339 VanDerWaalsContact OD2-OG 3.05Å; S329-S339 CarbonylContact O-C 3.46Å; S329-S339 WeakPolarHBondContact O-CA 3.33Å; F331-S339 PolarHBondContact N-OG 3.43Å; S339-K354 WeakPolarHBondContact O-CB 3.35Å; S339-K354 PolarHBondContact O-N 2.78Å
340	G	95.9	Very high	94.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-173	-178.5	0	0	0	0	0	113.3	S329 Y352	S329-G340 PolarHBondContact N-O 2.83Å; S329-G340 PolarHBondContact O-N 2.88Å; G340-Y352 CarbonylContact C-O 3.59Å; G340-Y352 WeakPolarHBondContact CA-O 3.38Å
341	L	97.4	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.5	-175.4	-170.1	66.8	0	0	0	110.4	C277 F287 V295 V316 L326 W328 I343 Y352	C277-L341 VanDerWaalsContact SG-CD1 3.52Å; F287-L341 HydrophobicContact CB-CD2 4.46Å; F287-L341 HydrophobicContact CD1-CD2 3.69Å; F287-L341 HydrophobicContact CD2-CD1 4.06Å; F287-L341 HydrophobicContact CE1-CD2 4.01Å; F287-L341 HydrophobicContact CE2-CD1 4.4Å; F287-L341 HydrophobicContact CG-CD1 4.17Å; F287-L341 HydrophobicContact CG-CD2 3.99Å; V295-L341 HydrophobicContact CG1-CD2 3.81Å; V316-L341 HydrophobicContact CG1-CD2 4.49Å; L326-L341 HydrophobicContact CD2-CD1 4.28Å; L326-L341 HydrophobicContact CD2-CD2 4.01Å; L326-L341 HydrophobicContact CD2-CG 4.18Å; W328-L341 HydrophobicContact CE3-CD1 4.41Å; L341-I343 HydrophobicContact CB-CG1 4.43Å; L341-I343 HydrophobicContact CD2-CD1 3.81Å; L341-I343 HydrophobicContact CD2-CG1 3.89Å; L341-I343 HydrophobicContact CG-CD1 4.19Å; L341-I343 HydrophobicContact CG-CG1 3.76Å; L341-Y352 PolarHBondContact N-O 3.45Å; L341-Y352 PolarHBondContact O-N 2.95Å
342	M	98.1	Very high	94.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.6	166.7	-68.6	-66.4	-71.8	0	0	108.8	R327 F351 L366 L375 L377 F384 L404	R327-M342 HydrophobicContact CB-CB 4.35Å; R327-M342 PolarHBondContact N-O 2.91Å; R327-M342 PolarHBondContact O-N 2.97Å; M342-F351 HydrophobicContact CG-CD2 4.17Å; M342-F351 HydrophobicContact SD-CB 3.83Å; M342-F351 HydrophobicContact SD-CD2 3.48Å; M342-F351 WeakPolarHBondContact SD-CD2 3.35Å; M342-F351 HydrophobicContact SD-CE2 4.42Å; M342-F351 HydrophobicContact SD-CG 4.01Å; M342-L366 HydrophobicContact CE-CD1 3.96Å; M342-L375 HydrophobicContact CB-CD1 4.49Å; M342-L375 HydrophobicContact CB-CD2 4.25Å; M342-L375 HydrophobicContact CE-CD1 4.27Å; M342-L377 HydrophobicContact CG-CD2 4.01Å; M342-F384 HydrophobicContact CE-CD1 3.96Å; M342-F384 HydrophobicContact CE-CD2 3.77Å; M342-F384 HydrophobicContact CE-CE1 3.9Å; M342-F384 HydrophobicContact CE-CE2 3.69Å; M342-F384 HydrophobicContact CE-CG 3.89Å; M342-F384 HydrophobicContact CE-CZ 3.75Å; M342-L404 HydrophobicContact SD-CD1 4.19Å
343	I	98.5	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.3	-175.2	-50.1	179.7	0	0	0	108.4	V295 M319 I323 L326 L341 C349 A350 Y352	V295-I343 HydrophobicContact CB-CD1 4.44Å; V295-I343 HydrophobicContact CG1-CD1 4.3Å; V295-I343 HydrophobicContact CG2-CD1 4.13Å; V295-I343 HydrophobicContact CG2-CG2 4.01Å; M319-I343 HydrophobicContact SD-CB 4.45Å; M319-I343 HydrophobicContact SD-CG2 3.6Å; I323-I343 HydrophobicContact CD1-CG2 4.14Å; I323-I343 HydrophobicContact CG2-CG2 3.99Å; L326-I343 HydrophobicContact CD2-CB 4.2Å; L326-I343 HydrophobicContact CD2-CD1 4.45Å; L326-I343 HydrophobicContact CD2-CG1 3.79Å; L326-I343 HydrophobicContact CD2-CG2 3.93Å; L341-I343 HydrophobicContact CB-CG1 4.43Å; L341-I343 HydrophobicContact CD2-CD1 3.81Å; L341-I343 HydrophobicContact CD2-CG1 3.89Å; L341-I343 HydrophobicContact CG-CD1 4.19Å; L341-I343 HydrophobicContact CG-CG1 3.76Å; I343-C349 CarbonylContact O-C 3.54Å; I343-C349 WeakPolarHBondContact O-CA 3.23Å; I343-A350 PolarHBondContact N-O 3.19Å; I343-A350 PolarHBondContact O-N 3.2Å; I343-Y352 HydrophobicContact CD1-CD2 3.31Å; I343-Y352 HydrophobicContact CD1-CE2 3.57Å; I343-Y352 HydrophobicContact CD1-CG 3.98Å; I343-Y352 HydrophobicContact CG1-CD2 4.05Å; I343-Y352 HydrophobicContact CG1-CE2 4.48Å
344	A	98.3	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.7	167.3	0	0	0	0	0	109.5	L324 S325 E348 I372 L375	L324-A344 WeakPolarHBondContact CA-O 3.28Å; L324-A344 WeakPolarHBondContact CB-O 3.23Å; L324-A344 PolarHBondContact N-O 3.47Å; S325-A344 PolarHBondContact N-O 3.43Å; S325-A344 VanDerWaalsContact N-O 3.13Å; S325-A344 PolarHBondContact O-N 3.08Å; A344-E348 WeakPolarHBondContact CA-O 3.32Å; A344-I372 HydrophobicContact CB-CG2 4.19Å; A344-L375 HydrophobicContact CB-CB 3.78Å; A344-L375 HydrophobicContact CB-CD1 3.84Å; A344-L375 HydrophobicContact CB-CG 4.44Å
345	S	97.8	Very high	94.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-176.3	159.3	78.4	0	0	0	0	110.1	P322 S347 E348	P322-S345 VanDerWaalsContact O-CA 3.25Å; P322-S345 WeakPolarHBondContact O-CA 3.41Å; S345-S347 PolarHBondContact O-N 2.79Å; S345-S347 VanDerWaalsContact O-N 3.13Å; S345-S347 PolarHBondContact OG-N 2.55Å; S345-E348 PolarHBondContact N-O 3.2Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 PolarHBondContact OG-N 3.48Å; S345-E348 PolarHBondContact OG-O 3.41Å
346	T	95.7	Very high	94.4	Very high	41 Å²	41	30.8 Å²	30.8	25%	0.252	15%	0.153	S	C	.	.	S	Bend	trans	-66.3	-7.2	174.6	55.1	0	0	0	0	114.6	W274 P322 I372	W274-T346 HydrophobicContact CZ3-CG2 4.37Å; P322-T346 HydrophobicContact CB-CG2 4.2Å; P322-T346 HydrophobicContact CG-CG2 4.4Å; P322-T346 PolarHBondContact O-N 3.23Å; T346-I372 PolarHBondContact O-N 3.4Å
347	S	94.5	Very high	93.6	Very high	29 Å²	29	24.7 Å²	24.7	20%	0.203	14%	0.14	C	C	.	.	S	Bend	trans	-149.1	-4.6	178.5	72.4	0	0	0	0	116.3	K321 S345 G370	K321-S347 WeakPolarHBondContact CD-OG 3.32Å; K321-S347 VanDerWaalsContact CE-OG 3.31Å; K321-S347 WeakPolarHBondContact CE-OG 3.25Å; K321-S347 PolarHBondContact NZ-OG 2.79Å; S345-S347 PolarHBondContact O-N 2.79Å; S345-S347 VanDerWaalsContact O-N 3.13Å; S345-S347 PolarHBondContact OG-N 2.55Å; S347-G370 VanDerWaalsContact CA-O 3.26Å; S347-G370 WeakPolarHBondContact CA-O 3.38Å
348	E	96.1	Very high	92.5	Very high	56 Å²	56	29.8 Å²	29.8	26%	0.262	17%	0.167	S	C	.	.			trans	-134.1	139.8	-175.6	-71.3	161.1	-144.3	0	0	108.1	M319 K321 A344 S345 I372	M319-E348 HydrophobicContact CE-CB 3.3Å; M319-E348 HydrophobicContact CE-CG 4.43Å; K321-E348 IonicContact NZ-OE1 2.87Å; K321-E348 PolarHBondContact NZ-OE1 3.5Å; A344-E348 WeakPolarHBondContact CA-O 3.32Å; S345-E348 PolarHBondContact N-O 3.2Å; S345-E348 WeakPolarHBondContact OG-CB 3.35Å; S345-E348 PolarHBondContact OG-N 3.48Å; S345-E348 PolarHBondContact OG-O 3.41Å; E348-I372 VanDerWaalsContact C-CD1 3.43Å
349	C	97.1	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.3	173.9	-168.2	0	0	0	0	107.9	I343 L366 L368 I372 L375	I343-C349 CarbonylContact O-C 3.54Å; I343-C349 WeakPolarHBondContact O-CA 3.23Å; C349-L366 HydrophobicContact CB-CB 4.41Å; C349-L366 PolarHBondContact O-N 3.42Å; C349-L368 HydrophobicContact CB-CD1 3.96Å; C349-I372 HydrophobicContact CB-CD1 3.86Å; C349-L375 VanDerWaalsContact SG-CD1 3.56Å
350	A	97	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.3	-178	0	0	0	0	0	111	M319 I343 Y352 Q364	M319-A350 HydrophobicContact CE-CB 4.17Å; I343-A350 PolarHBondContact N-O 3.19Å; I343-A350 PolarHBondContact O-N 3.2Å; A350-Y352 HydrophobicContact CB-CD2 4.16Å; A350-Y352 HydrophobicContact CB-CE2 3.66Å; A350-Q364 CarbonylContact C-O 3.51Å; A350-Q364 VanDerWaalsContact CA-O 3.25Å; A350-Q364 WeakPolarHBondContact CA-O 3.43Å; A350-Q364 WeakPolarHBondContact CB-O 3.49Å
351	F	97.2	Very high	91.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.7	171.6	177	-118.6	0	0	0	109.3	I337 M342 A353 Q364 L366 L404 Y418	I337-F351 HydrophobicContact CG2-CE1 3.93Å; I337-F351 HydrophobicContact CG2-CZ 3.81Å; M342-F351 HydrophobicContact CG-CD2 4.17Å; M342-F351 HydrophobicContact SD-CB 3.83Å; M342-F351 HydrophobicContact SD-CD2 3.48Å; M342-F351 WeakPolarHBondContact SD-CD2 3.35Å; M342-F351 HydrophobicContact SD-CE2 4.42Å; M342-F351 HydrophobicContact SD-CG 4.01Å; F351-A353 HydrophobicContact CD1-CB 4.49Å; F351-A353 HydrophobicContact CE1-CB 3.83Å; F351-A353 HydrophobicContact CZ-CB 4.26Å; F351-Q364 PolarHBondContact N-O 2.93Å; F351-Q364 PolarHBondContact O-N 3.38Å; F351-L366 HydrophobicContact CB-CD2 4.48Å; F351-L404 HydrophobicContact CB-CD1 3.86Å; F351-L404 HydrophobicContact CD1-CD1 3.64Å; F351-L404 HydrophobicContact CD2-CD1 4Å; F351-L404 HydrophobicContact CE1-CD1 4.15Å; F351-L404 HydrophobicContact CE2-CD1 4.47Å; F351-L404 HydrophobicContact CG-CD1 3.55Å; F351-Y418 AromaticContact CD1-CD2 3.73Å; F351-Y418 HydrophobicContact CD1-CD2 3.73Å; F351-Y418 AromaticContact CD1-CE2 3.99Å; F351-Y418 HydrophobicContact CD1-CE2 3.99Å; F351-Y418 HydrophobicContact CD1-CG 4.14Å; F351-Y418 HydrophobicContact CE1-CD1 4.5Å; F351-Y418 AromaticContact CE1-CD2 3.97Å; F351-Y418 HydrophobicContact CE1-CD2 3.97Å; F351-Y418 HydrophobicContact CE1-CE1 4.37Å; F351-Y418 AromaticContact CE1-CE2 3.82Å; F351-Y418 HydrophobicContact CE1-CE2 3.82Å; F351-Y418 HydrophobicContact CE1-CG 4.32Å
352	Y	96.1	Very high	91	Very high	35 Å²	35	41.9 Å²	41.9	14%	0.137	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100	177.6	-78.2	-107.1	0	0	0	108.4	V316 C317 G340 L341 I343 A350 F361 I362	V316-Y352 HydrophobicContact CG1-CD1 3.77Å; V316-Y352 HydrophobicContact CG1-CE1 4.25Å; V316-Y352 HydrophobicContact CG1-CG 4.21Å; C317-Y352 HydrophobicContact CB-CE1 3.55Å; C317-Y352 HydrophobicContact CB-CE2 4.28Å; C317-Y352 WeakPolarHBondContact CB-OH 3.41Å; G340-Y352 CarbonylContact C-O 3.59Å; G340-Y352 WeakPolarHBondContact CA-O 3.38Å; L341-Y352 PolarHBondContact N-O 3.45Å; L341-Y352 PolarHBondContact O-N 2.95Å; I343-Y352 HydrophobicContact CD1-CD2 3.31Å; I343-Y352 HydrophobicContact CD1-CE2 3.57Å; I343-Y352 HydrophobicContact CD1-CG 3.98Å; I343-Y352 HydrophobicContact CG1-CD2 4.05Å; I343-Y352 HydrophobicContact CG1-CE2 4.48Å; A350-Y352 HydrophobicContact CB-CD2 4.16Å; A350-Y352 HydrophobicContact CB-CE2 3.66Å; Y352-F361 HydrophobicContact CD1-CB 4.16Å; Y352-F361 WeakPolarHBondContact O-CD1 3.44Å; Y352-I362 WeakPolarHBondContact CA-O 3.18Å
353	A	94.6	Very high	90.7	Very high	4 Å²	4	43 Å²	43	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.6	179	0	0	0	0	0	110.4	P338 F351 S355 F361 I362 Y418	P338-A353 HydrophobicContact CG-CB 3.67Å; F351-A353 HydrophobicContact CD1-CB 4.49Å; F351-A353 HydrophobicContact CE1-CB 3.83Å; F351-A353 HydrophobicContact CZ-CB 4.26Å; A353-S355 PolarHBondContact O-N 3.14Å; A353-F361 VanDerWaalsContact O-CA 3.29Å; A353-F361 WeakPolarHBondContact O-CA 3.36Å; A353-I362 PolarHBondContact N-O 2.79Å; A353-I362 PolarHBondContact O-N 2.82Å; A353-Y418 HydrophobicContact CB-CE2 3.76Å
354	K	92.6	Very high	90.5	Very high	38 Å²	38	43.8 Å²	43.8	17%	0.165	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	121.2	171.7	-164.4	-175.3	-165.1	156.5	0	108.2	D279 D281 W328 S339 F361	D279-K354 IonicContact OD1-NZ 2.73Å; D279-K354 PolarHBondContact OD1-NZ 3.45Å; D279-K354 IonicContact OD2-NZ 2.65Å; D279-K354 PolarHBondContact OD2-NZ 3.37Å; D281-K354 IonicContact OD2-NZ 2.94Å; W328-K354 HydrophobicContact CH2-CB 4.37Å; W328-K354 HydrophobicContact CH2-CD 3.77Å; W328-K354 HydrophobicContact CH2-CG 4.37Å; W328-K354 HydrophobicContact CZ2-CD 3.96Å; S339-K354 WeakPolarHBondContact O-CB 3.35Å; S339-K354 PolarHBondContact O-N 2.78Å; K354-F361 HydrophobicContact CB-CD1 4.42Å; K354-F361 HydrophobicContact CB-CE1 3.96Å; K354-F361 HydrophobicContact CG-CE1 4.16Å; K354-F361 HydrophobicContact CG-CZ 4.22Å
355	S	86.6	Confident	90.3	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.8	168	172.8	-172.5	0	0	0	0	110.2	A353 G357 E360	A353-S355 PolarHBondContact O-N 3.14Å; S355-G357 PolarHBondContact O-N 2.91Å; S355-E360 VanDerWaalsContact CB-O 3.23Å; S355-E360 WeakPolarHBondContact CB-O 3.4Å; S355-E360 PolarHBondContact N-O 2.87Å
356	M	76.9	Confident	90.2	Very high	194 Å²	194	47.9 Å²	47.9	96%	0.956	26%	0.264	S	S	*	.	S	Bend	trans	-64.8	-20.2	174.1	-67.7	-69.8	-70.7	0	0	112.6
357	G	73.9	Confident	90.1	Very high	33 Å²	33	50.7 Å²	50.7	34%	0.34	28%	0.283	S	S	.	.	S	Bend	trans	-81.8	134.1	169.4	0	0	0	0	0	111.1	S355 N359 E360	S355-G357 PolarHBondContact O-N 2.91Å; G357-N359 PolarHBondContact O-N 3.34Å; G357-E360 PolarHBondContact O-N 2.84Å
358	D	69.2	Low	90	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.8	-171.5	-75.7	-18.9	0	0	0	115.6	R285	R285-D358 PolarHBondContact NH1-O 3.14Å
359	N	78.1	Confident	89.6	Confident	69 Å²	69	53.8 Å²	53.8	37%	0.369	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	24.6	-172.9	-65.1	-22.3	0	0	0	113.9	R285 L314 G357	R285-N359 PolarHBondContact NH1-OD1 3.16Å; R285-N359 PolarHBondContact NH2-OD1 2.93Å; L314-N359 VanDerWaalsContact CD2-O 3.3Å; L314-N359 WeakPolarHBondContact CD2-O 3.35Å; G357-N359 PolarHBondContact O-N 3.34Å
360	E	88.2	Confident	89.4	Confident	127 Å²	127	55.1 Å²	55.1	59%	0.593	31%	0.313	S	S	*	.			trans	-118.9	133.9	176.8	-72.9	-176.1	174.9	0	0	111.2	S355 G357	S355-E360 VanDerWaalsContact CB-O 3.23Å; S355-E360 WeakPolarHBondContact CB-O 3.4Å; S355-E360 PolarHBondContact N-O 2.87Å; G357-E360 PolarHBondContact O-N 2.84Å
361	F	93	Very high	89.3	Confident	32 Å²	32	60 Å²	60	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.7	176.2	-72.6	-92	0	0	0	109.9	F287 L297 L314 V316 W328 Y352 A353 K354	F287-F361 HydrophobicContact CE1-CE2 4.29Å; F287-F361 HydrophobicContact CE1-CZ 4.05Å; F287-F361 HydrophobicContact CZ-CE1 4.45Å; F287-F361 HydrophobicContact CZ-CE2 4.36Å; F287-F361 AromaticContact CZ-CZ 3.75Å; F287-F361 HydrophobicContact CZ-CZ 3.75Å; L297-F361 HydrophobicContact CD2-CE2 4.44Å; L314-F361 HydrophobicContact CD2-CD2 3.67Å; L314-F361 HydrophobicContact CD2-CE2 4.12Å; V316-F361 HydrophobicContact CG1-CB 4.35Å; V316-F361 HydrophobicContact CG1-CG 4.38Å; W328-F361 HydrophobicContact CH2-CE1 4.15Å; W328-F361 HydrophobicContact CH2-CZ 4.24Å; W328-F361 HydrophobicContact CZ3-CE1 4.03Å; W328-F361 HydrophobicContact CZ3-CZ 4.16Å; Y352-F361 HydrophobicContact CD1-CB 4.16Å; Y352-F361 WeakPolarHBondContact O-CD1 3.44Å; A353-F361 VanDerWaalsContact O-CA 3.29Å; A353-F361 WeakPolarHBondContact O-CA 3.36Å; K354-F361 HydrophobicContact CB-CD1 4.42Å; K354-F361 HydrophobicContact CB-CE1 3.96Å; K354-F361 HydrophobicContact CG-CE1 4.16Å; K354-F361 HydrophobicContact CG-CZ 4.22Å
362	I	91.7	Very high	89.2	Confident	68 Å²	68	60.1 Å²	60.1	35%	0.349	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.1	173.3	-58.2	175.3	0	0	0	107.4	Y352 A353 P414	Y352-I362 WeakPolarHBondContact CA-O 3.18Å; A353-I362 PolarHBondContact N-O 2.79Å; A353-I362 PolarHBondContact O-N 2.82Å; I362-P414 HydrophobicContact CG2-CB 4.36Å; I362-P414 WeakPolarHBondContact CG2-O 3.41Å
363	G	91.9	Very high	89.3	Confident	26 Å²	26	58.5 Å²	58.5	27%	0.268	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.6	-176.7	0	0	0	0	0	113.2
364	Q	93	Very high	89.4	Confident	15 Å²	15	58.6 Å²	58.6	7%	0.07	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.2	168.8	179.6	176.5	-2.5	0	0	110.2	A350 F351 E415 Y418	A350-Q364 CarbonylContact C-O 3.51Å; A350-Q364 VanDerWaalsContact CA-O 3.25Å; A350-Q364 WeakPolarHBondContact CA-O 3.43Å; A350-Q364 WeakPolarHBondContact CB-O 3.49Å; F351-Q364 PolarHBondContact N-O 2.93Å; F351-Q364 PolarHBondContact O-N 3.38Å; Q364-E415 VanDerWaalsContact CD-O 3.26Å; Q364-E415 WeakPolarHBondContact CG-O 3.4Å; Q364-Y418 VanDerWaalsContact CD-O 3.31Å; Q364-Y418 PolarHBondContact NE2-O 3.2Å; Q364-Y418 PolarHBondContact OE1-O 3.23Å
365	T	94.9	Very high	89.7	Confident	84 Å²	84	57.1 Å²	57.1	52%	0.515	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.7	173.3	-57.9	0	0	0	0	109.7
366	L	95.3	Very high	90.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.8	177.9	-54.8	179	0	0	0	109.5	M342 C349 F351 L368 F384 L404 L420	M342-L366 HydrophobicContact CE-CD1 3.96Å; C349-L366 HydrophobicContact CB-CB 4.41Å; C349-L366 PolarHBondContact O-N 3.42Å; F351-L366 HydrophobicContact CB-CD2 4.48Å; L366-L368 VanDerWaalsContact C-N 3.27Å; L366-L368 PolarHBondContact O-N 3.07Å; L366-F384 HydrophobicContact CD1-CE2 4.41Å; L366-F384 HydrophobicContact CD1-CZ 4.17Å; L366-L404 HydrophobicContact CD1-CD2 4.04Å; L366-L404 HydrophobicContact CD2-CD2 3.59Å; L366-L404 HydrophobicContact CG-CD2 4.49Å; L366-L420 HydrophobicContact CB-CD2 4.32Å; L366-L420 HydrophobicContact CD1-CD1 4.37Å; L366-L420 HydrophobicContact CD2-CB 4.44Å
367	P	93.4	Very high	91.2	Very high	100 Å²	100	48.9 Å²	48.9	65%	0.649	28%	0.275	S	S	*	.			trans	-76.5	71.3	-171.8	32.2	-37.2	0	0	0	112.4	L420	P367-L420 HydrophobicContact CG-CB 4.26Å; P367-L420 HydrophobicContact CG-CD2 4.21Å
368	L	93.1	Very high	92.2	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.052	26%	0.264	C	S	.	.			trans	-118	118.1	175.8	-69.7	173.8	0	0	0	110.4	C349 L366 V386 F400 L420 I422	C349-L368 HydrophobicContact CB-CD1 3.96Å; L366-L368 VanDerWaalsContact C-N 3.27Å; L366-L368 PolarHBondContact O-N 3.07Å; L368-V386 HydrophobicContact CD1-CB 4.15Å; L368-V386 HydrophobicContact CD1-CG1 4.05Å; L368-V386 HydrophobicContact CD1-CG2 3.9Å; L368-F400 HydrophobicContact CD2-CG 4.39Å; L368-L420 HydrophobicContact CD1-CD2 4.17Å; L368-L420 HydrophobicContact CD2-CD2 3.72Å; L368-L420 HydrophobicContact CG-CD2 3.64Å; L368-I422 HydrophobicContact CD2-CD1 4.31Å
369	D	88.7	Confident	93.4	Very high	139 Å²	139	44.8 Å²	44.8	74%	0.743	25%	0.245	S	C	*	.			trans	-102.2	122.8	-177.5	-77.2	-28.2	0	0	0	112.5	M388	D369-M388 WeakPolarHBondContact O-CE 3.35Å
370	G	91.1	Very high	94.1	Very high	29 Å²	29	45.4 Å²	45.4	30%	0.299	25%	0.254	S	S	.	.	S	Bend	trans	134.3	-163	168.8	0	0	0	0	0	114	S347 I372 M388	S347-G370 VanDerWaalsContact CA-O 3.26Å; S347-G370 WeakPolarHBondContact CA-O 3.38Å; G370-I372 PolarHBondContact O-N 3.36Å; G370-M388 VanDerWaalsContact N-CE 3.3Å
371	R	94.9	Very high	94.3	Very high	103 Å²	103	40 Å²	40	39%	0.389	23%	0.231	S	C	.	.			trans	-87.4	101.1	-176.7	-179.6	-171.5	173.9	-140.8	-0.2	110.4	T373 M388 G389 Q432	R371-T373 HydrophobicContact CG-CG2 4.28Å; R371-M388 CarbonylContact O-C 3.53Å; R371-M388 WeakPolarHBondContact O-CA 3.33Å; R371-M388 WeakPolarHBondContact O-CB 3.43Å; R371-G389 PolarHBondContact O-N 2.82Å; R371-Q432 PolarHBondContact NH1-O 2.9Å
372	I	96.8	Very high	94.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.6	176.2	-57.1	176.1	0	0	0	109.8	L324 A344 T346 E348 C349 G370 V386 S387 M388	L324-I372 HydrophobicContact CD2-CG2 4.04Å; A344-I372 HydrophobicContact CB-CG2 4.19Å; T346-I372 PolarHBondContact O-N 3.4Å; E348-I372 VanDerWaalsContact C-CD1 3.43Å; C349-I372 HydrophobicContact CB-CD1 3.86Å; G370-I372 PolarHBondContact O-N 3.36Å; I372-V386 HydrophobicContact CD1-CG1 4.41Å; I372-V386 HydrophobicContact CG1-CG1 4.3Å; I372-V386 HydrophobicContact CG2-CG1 3.86Å; I372-S387 WeakPolarHBondContact CA-O 3.43Å; I372-M388 HydrophobicContact CG1-CE 3.88Å; I372-M388 HydrophobicContact CG1-CG 4.39Å
373	T	96.7	Very high	94.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-18.8	-176.4	54.3	0	0	0	0	115.1	L324 R371 S387 Q432 L435	L324-T373 VanDerWaalsContact CD2-C 3.46Å; R371-T373 HydrophobicContact CG-CG2 4.28Å; T373-S387 PolarHBondContact N-O 2.85Å; T373-S387 PolarHBondContact OG1-O 2.88Å; T373-Q432 PolarHBondContact OG1-NE2 2.61Å; T373-Q432 PolarHBondContact OG1-OE1 2.8Å; T373-L435 HydrophobicContact CG2-CD2 3.95Å
374	S	97.3	Very high	94.8	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.6	163.2	64.2	0	0	0	0	112.2	S387 S436 N438	S374-S387 PolarHBondContact N-O 3.17Å; S374-S387 PolarHBondContact O-N 3.31Å; S374-S387 VanDerWaalsContact OG-CB 3.22Å; S374-S387 WeakPolarHBondContact OG-CB 3.47Å; S374-S387 PolarHBondContact OG-OG 2.75Å; S374-S387 VanDerWaalsContact OG-OG 3.1Å; S374-S436 WeakPolarHBondContact CB-O 3.2Å; S374-S436 PolarHBondContact OG-O 2.93Å; S374-N438 PolarHBondContact OG-ND2 2.91Å
375	L	98.2	Very high	95.1	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.7	166.2	177.6	152	0	0	0	108.9	S325 R327 M342 A344 C349 L385 V386	S325-L375 PolarHBondContact OG-O 3.05Å; S325-L375 VanDerWaalsContact OG-O 3.09Å; R327-L375 HydrophobicContact CB-CD2 4.17Å; R327-L375 HydrophobicContact CG-CD2 3.79Å; M342-L375 HydrophobicContact CB-CD1 4.49Å; M342-L375 HydrophobicContact CB-CD2 4.25Å; M342-L375 HydrophobicContact CE-CD1 4.27Å; A344-L375 HydrophobicContact CB-CB 3.78Å; A344-L375 HydrophobicContact CB-CD1 3.84Å; A344-L375 HydrophobicContact CB-CG 4.44Å; C349-L375 VanDerWaalsContact SG-CD1 3.56Å; L375-L385 WeakPolarHBondContact CA-O 3.17Å; L375-V386 HydrophobicContact CD1-CG2 4.37Å
376	F	98.1	Very high	95.2	Very high	42 Å²	42	31.9 Å²	31.9	18%	0.184	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.5	173.6	-172.9	-79.7	0	0	0	109.1	D378 F384 L385 N438 C439 L440	F376-D378 HydrophobicContact CE1-CB 4.42Å; F376-F384 CarbonylContact O-C 3.18Å; F376-F384 WeakPolarHBondContact O-CA 3.25Å; F376-F384 WeakPolarHBondContact O-CB 3.4Å; F376-L385 HydrophobicContact CB-CB 4.44Å; F376-L385 PolarHBondContact N-O 3.04Å; F376-L385 PolarHBondContact O-N 2.8Å; F376-N438 WeakPolarHBondContact CB-O 3.43Å; F376-C439 HydrophobicContact CD2-CB 3.77Å; F376-C439 HydrophobicContact CE2-CB 3.59Å; F376-C439 HydrophobicContact CG-CB 4.38Å; F376-C439 HydrophobicContact CZ-CB 4.07Å; F376-L440 HydrophobicContact CD1-CB 3.75Å; F376-L440 HydrophobicContact CD1-CD1 4.31Å; F376-L440 HydrophobicContact CD1-CG 4.1Å; F376-L440 HydrophobicContact CE1-CB 3.8Å; F376-L440 WeakPolarHBondContact CE1-O 3.4Å; F376-L440 WeakPolarHBondContact CZ-O 3.38Å
377	L	97.7	Very high	95.4	Very high	18 Å²	18	31.8 Å²	31.8	9%	0.094	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.8	-179.7	174.7	65.8	0	0	0	109.1	R327 W328 M342 N379 F384	R327-L377 HydrophobicContact CB-CB 3.97Å; R327-L377 HydrophobicContact CB-CD2 3.98Å; R327-L377 HydrophobicContact CG-CB 4.23Å; W328-L377 WeakPolarHBondContact O-CD2 3.4Å; M342-L377 HydrophobicContact CG-CD2 4.01Å; L377-N379 WeakPolarHBondContact CD2-OD1 3.31Å; L377-F384 HydrophobicContact CB-CB 4.36Å; L377-F384 HydrophobicContact CD1-CB 3.82Å; L377-F384 HydrophobicContact CD1-CD1 4.42Å
378	D	95.6	Very high	95.5	Very high	24 Å²	24	27.1 Å²	27.1	13%	0.128	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	96.9	173.3	-176	-4.2	0	0	0	109.9	F376 S380 T381 G382 H383 L440	F376-D378 HydrophobicContact CE1-CB 4.42Å; D378-S380 PolarHBondContact O-N 3.08Å; D378-S380 VanDerWaalsContact O-N 3.16Å; D378-S380 WeakPolarHBondContact OD1-CB 3.42Å; D378-S380 PolarHBondContact OD1-N 3.03Å; D378-S380 VanDerWaalsContact OD1-N 3.1Å; D378-S380 PolarHBondContact OD1-OG 3.43Å; D378-S380 PolarHBondContact OD2-OG 3.47Å; D378-T381 HydrophobicContact CB-CG2 4.24Å; D378-T381 VanDerWaalsContact CG-CG2 3.44Å; D378-T381 PolarHBondContact O-N 2.87Å; D378-T381 VanDerWaalsContact O-N 3.1Å; D378-T381 PolarHBondContact O-OG1 3.34Å; D378-T381 WeakPolarHBondContact OD2-CG2 3.48Å; D378-G382 PolarHBondContact O-N 2.83Å; D378-H383 PolarHBondContact N-O 3.3Å; D378-L440 HydrophobicContact CB-CB 4.39Å; D378-L440 HydrophobicContact CB-CD1 4.46Å
379	N	94.6	Very high	95.6	Very high	37 Å²	37	26.6 Å²	26.6	20%	0.198	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.9	-179	-80.6	-15.1	0	0	0	113.3	W328 E330 Q332 L377 T381	W328-N379 PolarHBondContact O-ND2 2.7Å; W328-N379 VanDerWaalsContact O-ND2 3.09Å; W328-N379 PolarHBondContact O-OD1 3.21Å; E330-N379 HydrophobicContact CB-CB 4.45Å; E330-N379 HydrophobicContact CG-CB 4.46Å; E330-N379 PolarHBondContact N-OD1 3.22Å; E330-N379 PolarHBondContact OE1-ND2 2.87Å; Q332-N379 PolarHBondContact NE2-O 2.85Å; L377-N379 WeakPolarHBondContact CD2-OD1 3.31Å; N379-T381 PolarHBondContact O-N 2.86Å; N379-T381 VanDerWaalsContact O-N 3.1Å
380	S	91.6	Very high	95.9	Very high	81 Å²	81	21.8 Å²	21.8	57%	0.566	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.8	178.6	73.5	0	0	0	0	113.3	D378	D378-S380 PolarHBondContact O-N 3.08Å; D378-S380 VanDerWaalsContact O-N 3.16Å; D378-S380 WeakPolarHBondContact OD1-CB 3.42Å; D378-S380 PolarHBondContact OD1-N 3.03Å; D378-S380 VanDerWaalsContact OD1-N 3.1Å; D378-S380 PolarHBondContact OD1-OG 3.43Å; D378-S380 PolarHBondContact OD2-OG 3.47Å
381	T	92.4	Very high	95.9	Very high	15 Å²	15	23 Å²	23	9%	0.092	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-17	-168.2	82.4	0	0	0	0	113.1	D378 N379 H383	D378-T381 HydrophobicContact CB-CG2 4.24Å; D378-T381 VanDerWaalsContact CG-CG2 3.44Å; D378-T381 PolarHBondContact O-N 2.87Å; D378-T381 VanDerWaalsContact O-N 3.1Å; D378-T381 PolarHBondContact O-OG1 3.34Å; D378-T381 WeakPolarHBondContact OD2-CG2 3.48Å; N379-T381 PolarHBondContact O-N 2.86Å; N379-T381 VanDerWaalsContact O-N 3.1Å; T381-H383 WeakPolarHBondContact CB-ND1 3.37Å; T381-H383 PolarHBondContact O-CE1 2.98Å; T381-H383 PolarHBondContact O-N 3.48Å; T381-H383 PolarHBondContact O-ND1 2.96Å; T381-H383 VanDerWaalsContact OG1-CB 3.26Å; T381-H383 WeakPolarHBondContact OG1-CB 3.31Å; T381-H383 PolarHBondContact OG1-N 3.28Å; T381-H383 PolarHBondContact OG1-ND1 3.46Å; T381-H383 VanDerWaalsContact OG1-ND1 3.1Å
382	G	94	Very high	95.7	Very high	13 Å²	13	24.2 Å²	24.2	13%	0.134	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	3.2	-169.4	0	0	0	0	0	114.7	D378	D378-G382 PolarHBondContact O-N 2.83Å
383	H	96.4	Very high	95.4	Very high	39 Å²	39	34.2 Å²	34.2	18%	0.181	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.5	177.8	-60.6	65.3	0	0	0	111.2	D378 T381 F401 C402	D378-H383 PolarHBondContact N-O 3.3Å; T381-H383 WeakPolarHBondContact CB-ND1 3.37Å; T381-H383 PolarHBondContact O-CE1 2.98Å; T381-H383 PolarHBondContact O-N 3.48Å; T381-H383 PolarHBondContact O-ND1 2.96Å; T381-H383 VanDerWaalsContact OG1-CB 3.26Å; T381-H383 WeakPolarHBondContact OG1-CB 3.31Å; T381-H383 PolarHBondContact OG1-N 3.28Å; T381-H383 PolarHBondContact OG1-ND1 3.46Å; T381-H383 VanDerWaalsContact OG1-ND1 3.1Å; H383-F401 HydrophobicContact CB-CD2 4.3Å; H383-F401 HydrophobicContact CB-CE2 3.43Å; H383-F401 VanDerWaalsContact CB-CE2 3.43Å; H383-F401 HydrophobicContact CB-CZ 3.6Å; H383-F401 AromaticContact CD2-CE1 3.34Å; H383-F401 WeakPolarHBondContact CD2-CE1 3.29Å; H383-F401 AromaticContact CD2-CE2 3.83Å; H383-F401 AromaticContact CD2-CZ 3.08Å; H383-F401 WeakPolarHBondContact CD2-CZ 2.91Å; H383-F401 AromaticContact CG-CE2 3.88Å; H383-F401 AromaticContact CG-CZ 3.47Å; H383-F401 VanDerWaalsContact CG-CZ 3.47Å; H383-F401 AromaticContact NE2-CZ 3.98Å; H383-C402 CarbonylContact C-O 3.55Å; H383-C402 VanDerWaalsContact CA-O 3.23Å; H383-C402 WeakPolarHBondContact CA-O 3.46Å
384	F	97.7	Very high	95.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.6	176.9	57.5	-82.7	0	0	0	111.3	M342 L366 F376 L377 V386 C402 L404 L420	M342-F384 HydrophobicContact CE-CD1 3.96Å; M342-F384 HydrophobicContact CE-CD2 3.77Å; M342-F384 HydrophobicContact CE-CE1 3.9Å; M342-F384 HydrophobicContact CE-CE2 3.69Å; M342-F384 HydrophobicContact CE-CG 3.89Å; M342-F384 HydrophobicContact CE-CZ 3.75Å; L366-F384 HydrophobicContact CD1-CE2 4.41Å; L366-F384 HydrophobicContact CD1-CZ 4.17Å; F376-F384 CarbonylContact O-C 3.18Å; F376-F384 WeakPolarHBondContact O-CA 3.25Å; F376-F384 WeakPolarHBondContact O-CB 3.4Å; L377-F384 HydrophobicContact CB-CB 4.36Å; L377-F384 HydrophobicContact CD1-CB 3.82Å; L377-F384 HydrophobicContact CD1-CD1 4.42Å; F384-V386 HydrophobicContact CD2-CG2 3.76Å; F384-V386 HydrophobicContact CE2-CG2 3.93Å; F384-C402 HydrophobicContact CD1-CB 4.37Å; F384-C402 HydrophobicContact CD2-CB 3.98Å; F384-C402 HydrophobicContact CE1-CB 3.92Å; F384-C402 HydrophobicContact CE2-CB 3.5Å; F384-C402 VanDerWaalsContact CE2-CB 3.5Å; F384-C402 HydrophobicContact CG-CB 4.4Å; F384-C402 HydrophobicContact CZ-CB 3.47Å; F384-C402 VanDerWaalsContact CZ-CB 3.47Å; F384-C402 PolarHBondContact N-O 2.92Å; F384-C402 PolarHBondContact O-N 3.43Å; F384-L404 HydrophobicContact CE1-CD2 4.37Å; F384-L404 HydrophobicContact CE1-CG 3.97Å; F384-L404 HydrophobicContact CZ-CD2 4.28Å; F384-L404 HydrophobicContact CZ-CG 4.37Å; F384-L420 HydrophobicContact CE2-CD1 3.99Å; F384-L420 HydrophobicContact CZ-CD1 3.49Å; F384-L420 VanDerWaalsContact CZ-CD1 3.49Å
385	L	98.2	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.7	178.9	-177.4	68.8	0	0	0	109	L375 F376 H399 F400 F426 N438 L440 A455 V457	L375-L385 WeakPolarHBondContact CA-O 3.17Å; F376-L385 HydrophobicContact CB-CB 4.44Å; F376-L385 PolarHBondContact N-O 3.04Å; F376-L385 PolarHBondContact O-N 2.8Å; L385-H399 HydrophobicContact CD1-CB 4.16Å; L385-F400 WeakPolarHBondContact CA-O 3.46Å; L385-F426 HydrophobicContact CD1-CE1 4.19Å; L385-F426 HydrophobicContact CD1-CZ 3.99Å; L385-N438 HydrophobicContact CD2-CB 3.88Å; L385-L440 HydrophobicContact CB-CD1 3.81Å; L385-L440 HydrophobicContact CB-CD2 4.07Å; L385-L440 HydrophobicContact CB-CG 3.74Å; L385-L440 HydrophobicContact CD2-CD2 4.34Å; L385-L440 HydrophobicContact CD2-CG 4.42Å; L385-A455 HydrophobicContact CD2-CB 4.21Å; L385-V457 HydrophobicContact CD2-CG1 4.25Å
386	V	98.2	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.9	170.5	-173.7	0	0	0	0	109	L368 I372 L375 F384 M388 H399 F400	L368-V386 HydrophobicContact CD1-CB 4.15Å; L368-V386 HydrophobicContact CD1-CG1 4.05Å; L368-V386 HydrophobicContact CD1-CG2 3.9Å; I372-V386 HydrophobicContact CD1-CG1 4.41Å; I372-V386 HydrophobicContact CG1-CG1 4.3Å; I372-V386 HydrophobicContact CG2-CG1 3.86Å; L375-V386 HydrophobicContact CD1-CG2 4.37Å; F384-V386 HydrophobicContact CD2-CG2 3.76Å; F384-V386 HydrophobicContact CE2-CG2 3.93Å; V386-M388 HydrophobicContact CG1-CG 4.31Å; V386-H399 WeakPolarHBondContact O-CA 3.08Å; V386-F400 PolarHBondContact N-O 2.75Å; V386-F400 PolarHBondContact O-N 3.21Å
387	S	97.7	Very high	94.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.3	173.9	-58.6	0	0	0	0	110.3	I372 T373 S374 Q398 H399 N438	I372-S387 WeakPolarHBondContact CA-O 3.43Å; T373-S387 PolarHBondContact N-O 2.85Å; T373-S387 PolarHBondContact OG1-O 2.88Å; S374-S387 PolarHBondContact N-O 3.17Å; S374-S387 PolarHBondContact O-N 3.31Å; S374-S387 VanDerWaalsContact OG-CB 3.22Å; S374-S387 WeakPolarHBondContact OG-CB 3.47Å; S374-S387 PolarHBondContact OG-OG 2.75Å; S374-S387 VanDerWaalsContact OG-OG 3.1Å; S387-Q398 CarbonylContact C-O 3.53Å; S387-Q398 WeakPolarHBondContact CA-O 3.49Å; S387-H399 WeakPolarHBondContact CB-ND1 3.23Å; S387-H399 PolarHBondContact OG-ND1 3.13Å; S387-N438 PolarHBondContact OG-ND2 2.91Å
388	M	96.5	Very high	94.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.1	-178.7	-49.7	-174	71.3	0	0	110.3	D369 G370 R371 I372 V386 C397 Q398 F400	D369-M388 WeakPolarHBondContact O-CE 3.35Å; G370-M388 VanDerWaalsContact N-CE 3.3Å; R371-M388 CarbonylContact O-C 3.53Å; R371-M388 WeakPolarHBondContact O-CA 3.33Å; R371-M388 WeakPolarHBondContact O-CB 3.43Å; I372-M388 HydrophobicContact CG1-CE 3.88Å; I372-M388 HydrophobicContact CG1-CG 4.39Å; V386-M388 HydrophobicContact CG1-CG 4.31Å; M388-C397 CarbonylContact O-C 3.49Å; M388-C397 VanDerWaalsContact O-CA 3.29Å; M388-C397 WeakPolarHBondContact O-CA 3.12Å; M388-Q398 HydrophobicContact CB-CB 4.3Å; M388-Q398 PolarHBondContact N-O 3.27Å; M388-Q398 PolarHBondContact O-N 3.2Å; M388-F400 HydrophobicContact CG-CD2 4.19Å; M388-F400 HydrophobicContact CG-CE2 3.98Å; M388-F400 HydrophobicContact SD-CD2 3.88Å; M388-F400 HydrophobicContact SD-CE2 3.39Å; M388-F400 WeakPolarHBondContact SD-CE2 3.38Å; M388-F400 HydrophobicContact SD-CZ 4.34Å
389	G	95.3	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.			trans	-81	165	179.6	0	0	0	0	0	113.6	R371	R371-G389 PolarHBondContact O-N 2.82Å
390	P	94.5	Very high	94.7	Very high	37 Å²	37	37.7 Å²	37.7	24%	0.24	21%	0.214	C	C	.	.			trans	-62.9	148.4	176.7	29.4	-34.9	0	0	0	110.5	V394	P390-V394 WeakPolarHBondContact CA-O 3.22Å
391	N	90.9	Very high	95	Very high	54 Å²	54	34.1 Å²	34.1	29%	0.289	19%	0.188	S	C	.	.			trans	-145	179.5	177.5	65.4	63.9	0	0	0	110.9	R393 V394	N391-R393 PolarHBondContact O-N 3.02Å; N391-R393 WeakPolarHBondContact OD1-CA 3.42Å; N391-R393 WeakPolarHBondContact OD1-CB 3.44Å; N391-R393 PolarHBondContact OD1-N 3.44Å; N391-V394 PolarHBondContact N-O 3.46Å; N391-V394 CarbonylContact O-C 3.57Å; N391-V394 PolarHBondContact O-N 3.01Å; N391-V394 PolarHBondContact OD1-N 3.09Å
392	S	90.2	Very high	95.2	Very high	130 Å²	130	33.4 Å²	33.4	91%	0.909	18%	0.183	S	C	*	.	S	Bend	trans	-64.2	-24.4	-177.5	53.8	0	0	0	0	114.5
393	R	90.9	Very high	95.3	Very high	210 Å²	210	34 Å²	34	79%	0.792	18%	0.184	S	C	*	.	S	Bend	trans	-87.8	-37.3	176.7	-61.5	-178.5	-179	174.5	0.4	112.2	N391	N391-R393 PolarHBondContact O-N 3.02Å; N391-R393 WeakPolarHBondContact OD1-CA 3.42Å; N391-R393 WeakPolarHBondContact OD1-CB 3.44Å; N391-R393 PolarHBondContact OD1-N 3.44Å
394	V	91.8	Very high	95.3	Very high	32 Å²	32	32.5 Å²	32.5	19%	0.194	18%	0.177	C	C	.	.			trans	-128.4	102.3	179.5	-172.5	0	0	0	0	108.7	P390 N391 T396 Q398	P390-V394 WeakPolarHBondContact CA-O 3.22Å; N391-V394 PolarHBondContact N-O 3.46Å; N391-V394 CarbonylContact O-C 3.57Å; N391-V394 PolarHBondContact O-N 3.01Å; N391-V394 PolarHBondContact OD1-N 3.09Å; V394-T396 PolarHBondContact O-N 3.3Å; V394-Q398 HydrophobicContact CG1-CG 3.93Å
395	P	93.3	Very high	95	Very high	95 Å²	95	36.8 Å²	36.8	62%	0.617	20%	0.197	S	C	*	.			trans	-76.8	11.4	-172.5	32.8	-37.1	0	0	0	114
396	T	95.1	Very high	94.5	Very high	44 Å²	44	42.3 Å²	42.3	27%	0.27	22%	0.218	S	C	.	.	S	Bend	trans	-127.4	154.5	177.9	59.3	0	0	0	0	110.7	V394 S429	V394-T396 PolarHBondContact O-N 3.3Å; T396-S429 CarbonylContact C-O 3.56Å; T396-S429 WeakPolarHBondContact CA-O 3.34Å
397	C	95.4	Very high	93.8	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.027	23%	0.233	C	C	.	.			trans	-58.6	146.8	168.3	-62.8	0	0	0	0	109.9	M388 G427 S429	M388-C397 CarbonylContact O-C 3.49Å; M388-C397 VanDerWaalsContact O-CA 3.29Å; M388-C397 WeakPolarHBondContact O-CA 3.12Å; C397-G427 CarbonylContact O-C 3.59Å; C397-S429 WeakPolarHBondContact CB-O 3.45Å; C397-S429 PolarHBondContact N-O 2.94Å; C397-S429 PolarHBondContact SG-O 3.03Å
398	Q	95.3	Very high	92.6	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.7	-178.2	-48.3	-146.8	-99.5	0	0	109.9	S387 M388 V394 F400	S387-Q398 CarbonylContact C-O 3.53Å; S387-Q398 WeakPolarHBondContact CA-O 3.49Å; M388-Q398 HydrophobicContact CB-CB 4.3Å; M388-Q398 PolarHBondContact N-O 3.27Å; M388-Q398 PolarHBondContact O-N 3.2Å; V394-Q398 HydrophobicContact CG1-CG 3.93Å; Q398-F400 HydrophobicContact CB-CD2 4.41Å; Q398-F400 HydrophobicContact CB-CE2 3.61Å; Q398-F400 HydrophobicContact CB-CZ 4.04Å
399	H	96.2	Very high	91.2	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.023	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.6	175.7	-53.9	-72.7	0	0	0	108.3	L385 V386 S387 R425 F426	L385-H399 HydrophobicContact CD1-CB 4.16Å; V386-H399 WeakPolarHBondContact O-CA 3.08Å; S387-H399 WeakPolarHBondContact CB-ND1 3.23Å; S387-H399 PolarHBondContact OG-ND1 3.13Å; H399-R425 WeakPolarHBondContact O-CA 3.42Å; H399-F426 HydrophobicContact CB-CD1 4.11Å; H399-F426 HydrophobicContact CB-CD2 3.92Å; H399-F426 HydrophobicContact CB-CE1 3.76Å; H399-F426 HydrophobicContact CB-CE2 3.57Å; H399-F426 HydrophobicContact CB-CG 4.18Å; H399-F426 HydrophobicContact CB-CZ 3.48Å; H399-F426 VanDerWaalsContact CB-CZ 3.48Å; H399-F426 AromaticContact CD2-CE2 3.94Å; H399-F426 AromaticContact CG-CE2 3.93Å; H399-F426 PolarHBondContact N-O 2.96Å; H399-F426 PolarHBondContact O-N 2.81Å
400	F	97	Very high	89.7	Confident	13 Å²	13	65.3 Å²	65.3	6%	0.057	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114	-178.9	-61.7	-87.7	0	0	0	108.6	L368 L385 V386 M388 Q398 I422 R424 R425	L368-F400 HydrophobicContact CD2-CG 4.39Å; L385-F400 WeakPolarHBondContact CA-O 3.46Å; V386-F400 PolarHBondContact N-O 2.75Å; V386-F400 PolarHBondContact O-N 3.21Å; M388-F400 HydrophobicContact CG-CD2 4.19Å; M388-F400 HydrophobicContact CG-CE2 3.98Å; M388-F400 HydrophobicContact SD-CD2 3.88Å; M388-F400 HydrophobicContact SD-CE2 3.39Å; M388-F400 WeakPolarHBondContact SD-CE2 3.38Å; M388-F400 HydrophobicContact SD-CZ 4.34Å; Q398-F400 HydrophobicContact CB-CD2 4.41Å; Q398-F400 HydrophobicContact CB-CE2 3.61Å; Q398-F400 HydrophobicContact CB-CZ 4.04Å; F400-I422 HydrophobicContact CD1-CD1 4.02Å; F400-I422 HydrophobicContact CD1-CG2 3.89Å; F400-I422 HydrophobicContact CE1-CD1 4.29Å; F400-R424 WeakPolarHBondContact CA-O 3.43Å; F400-R425 HydrophobicContact CD1-CB 4.19Å; F400-R425 HydrophobicContact CD1-CG 4.18Å; F400-R425 HydrophobicContact CE1-CB 4.22Å; F400-R425 HydrophobicContact CE1-CG 3.79Å; F400-R425 HydrophobicContact CZ-CG 4.37Å
401	F	97.5	Very high	88.1	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.2	169	179	-114.2	0	0	0	107.8	H383 V423 R424 L440 M470	H383-F401 HydrophobicContact CB-CD2 4.3Å; H383-F401 HydrophobicContact CB-CE2 3.43Å; H383-F401 VanDerWaalsContact CB-CE2 3.43Å; H383-F401 HydrophobicContact CB-CZ 3.6Å; H383-F401 AromaticContact CD2-CE1 3.34Å; H383-F401 WeakPolarHBondContact CD2-CE1 3.29Å; H383-F401 AromaticContact CD2-CE2 3.83Å; H383-F401 AromaticContact CD2-CZ 3.08Å; H383-F401 WeakPolarHBondContact CD2-CZ 2.91Å; H383-F401 AromaticContact CG-CE2 3.88Å; H383-F401 AromaticContact CG-CZ 3.47Å; H383-F401 VanDerWaalsContact CG-CZ 3.47Å; H383-F401 AromaticContact NE2-CZ 3.98Å; F401-V423 HydrophobicContact CD1-CB 3.79Å; F401-V423 HydrophobicContact CD1-CG1 3.97Å; F401-V423 HydrophobicContact CD1-CG2 4.47Å; F401-V423 HydrophobicContact CE1-CB 4.26Å; F401-V423 HydrophobicContact CE1-CG1 4.15Å; F401-V423 WeakPolarHBondContact O-CA 3.47Å; F401-V423 WeakPolarHBondContact O-CB 3.47Å; F401-V423 PolarHBondContact O-N 3.05Å; F401-R424 HydrophobicContact CB-CB 4.08Å; F401-R424 HydrophobicContact CD1-CG 4.19Å; F401-R424 PolarHBondContact N-O 2.99Å; F401-R424 PolarHBondContact O-N 3.42Å; F401-R424 VanDerWaalsContact O-N 3.08Å; F401-L440 HydrophobicContact CD2-CD1 4.01Å; F401-L440 HydrophobicContact CD2-CD2 3.8Å; F401-L440 HydrophobicContact CE2-CD1 3.88Å; F401-L440 HydrophobicContact CE2-CD2 3.9Å; F401-M470 HydrophobicContact CB-CG 4.41Å; F401-M470 HydrophobicContact CB-SD 3.49Å; F401-M470 WeakPolarHBondContact CB-SD 3.13Å; F401-M470 HydrophobicContact CD1-CB 3.79Å; F401-M470 HydrophobicContact CD1-CG 3.81Å; F401-M470 HydrophobicContact CD1-SD 3.83Å; F401-M470 HydrophobicContact CD2-CG 3.88Å; F401-M470 HydrophobicContact CD2-SD 4.03Å; F401-M470 HydrophobicContact CE1-CB 3.61Å; F401-M470 HydrophobicContact CE1-CG 3.93Å; F401-M470 HydrophobicContact CE2-CB 4.45Å; F401-M470 HydrophobicContact CE2-CG 3.97Å; F401-M470 HydrophobicContact CG-CB 4.3Å; F401-M470 HydrophobicContact CG-CG 3.78Å; F401-M470 HydrophobicContact CG-SD 3.53Å; F401-M470 VanDerWaalsContact CG-SD 3.53Å; F401-M470 HydrophobicContact CZ-CB 3.95Å; F401-M470 HydrophobicContact CZ-CG 3.99Å
402	C	97.2	Very high	86.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159	-165.5	-64.7	0	0	0	0	111.2	H383 F384 L420 C421	H383-C402 CarbonylContact C-O 3.55Å; H383-C402 VanDerWaalsContact CA-O 3.23Å; H383-C402 WeakPolarHBondContact CA-O 3.46Å; F384-C402 HydrophobicContact CD1-CB 4.37Å; F384-C402 HydrophobicContact CD2-CB 3.98Å; F384-C402 HydrophobicContact CE1-CB 3.92Å; F384-C402 HydrophobicContact CE2-CB 3.5Å; F384-C402 VanDerWaalsContact CE2-CB 3.5Å; F384-C402 HydrophobicContact CG-CB 4.4Å; F384-C402 HydrophobicContact CZ-CB 3.47Å; F384-C402 VanDerWaalsContact CZ-CB 3.47Å; F384-C402 PolarHBondContact N-O 2.92Å; F384-C402 PolarHBondContact O-N 3.43Å; C402-L420 HydrophobicContact CB-CD1 3.78Å; C402-C421 WeakPolarHBondContact CA-O 3.35Å
403	N	95.8	Very high	85.3	Confident	26 Å²	26	69 Å²	69	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	168.7	158.1	63.9	-14.3	0	0	0	109.2	C421	N403-C421 PolarHBondContact N-O 2.83Å; N403-C421 VanDerWaalsContact N-O 3.08Å; N403-C421 PolarHBondContact O-N 3.39Å; N403-C421 WeakPolarHBondContact OD1-CB 3.46Å
404	L	95.6	Very high	84.1	Confident	7 Å²	7	63 Å²	63	4%	0.037	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	150.2	169.8	-66.5	176.6	0	0	0	108.9	I337 M342 F351 L366 F384 E419	I337-L404 VanDerWaalsContact CD1-C 3.41Å; I337-L404 HydrophobicContact CD1-CB 3.4Å; I337-L404 VanDerWaalsContact CD1-CB 3.4Å; I337-L404 WeakPolarHBondContact CD1-O 3.5Å; M342-L404 HydrophobicContact SD-CD1 4.19Å; F351-L404 HydrophobicContact CB-CD1 3.86Å; F351-L404 HydrophobicContact CD1-CD1 3.64Å; F351-L404 HydrophobicContact CD2-CD1 4Å; F351-L404 HydrophobicContact CE1-CD1 4.15Å; F351-L404 HydrophobicContact CE2-CD1 4.47Å; F351-L404 HydrophobicContact CG-CD1 3.55Å; L366-L404 HydrophobicContact CD1-CD2 4.04Å; L366-L404 HydrophobicContact CD2-CD2 3.59Å; L366-L404 HydrophobicContact CG-CD2 4.49Å; F384-L404 HydrophobicContact CE1-CD2 4.37Å; F384-L404 HydrophobicContact CE1-CG 3.97Å; F384-L404 HydrophobicContact CZ-CD2 4.28Å; F384-L404 HydrophobicContact CZ-CG 4.37Å; L404-E419 CarbonylContact C-O 3.54Å; L404-E419 WeakPolarHBondContact CA-O 3.38Å
405	Q	92.2	Very high	82.8	Confident	91 Å²	91	68.3 Å²	68.3	43%	0.425	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.6	167.2	-68.1	-173.6	-21.7	0	0	108.9	Y418 E419 C421	Q405-Y418 CarbonylContact O-C 3.58Å; Q405-Y418 WeakPolarHBondContact O-CA 3.4Å; Q405-E419 PolarHBondContact N-O 2.89Å; Q405-E419 PolarHBondContact O-N 3.05Å; Q405-C421 HydrophobicContact CG-CB 4.37Å
406	R	88.2	Confident	81.9	Confident	117 Å²	117	67.5 Å²	67.5	44%	0.442	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.6	169.9	-167.3	177.9	175.7	-179.1	-2.2	108.1	W412	R406-W412 HydrophobicContact CG-CH2 4.34Å
407	R	84.1	Confident	81.4	Confident	84 Å²	84	66.9 Å²	66.9	32%	0.317	33%	0.333	S	S	.	.			trans	-61.8	160.9	171.5	-69.1	-167.8	177.4	144.2	-8.1	109.3	W412 D416 L417 E419	R407-W412 HydrophobicContact CB-CZ3 3.9Å; R407-W412 WeakPolarHBondContact O-CH2 3.43Å; R407-W412 VanDerWaalsContact O-CZ3 3.31Å; R407-W412 WeakPolarHBondContact O-CZ3 3.19Å; R407-D416 WeakPolarHBondContact CD-O 3.12Å; R407-D416 IonicContact CZ-OD1 3.91Å; R407-D416 VanDerWaalsContact NH1-CB 3.31Å; R407-D416 VanDerWaalsContact NH1-CG 3.32Å; R407-D416 PolarHBondContact NH1-O 3.1Å; R407-D416 IonicContact NH1-OD1 2.84Å; R407-D416 PolarHBondContact NH1-OD1 2.88Å; R407-L417 PolarHBondContact N-O 3.19Å; R407-E419 HydrophobicContact CG-CB 3.88Å
408	N	72.3	Confident	81.1	Confident	155 Å²	155	67.6 Å²	67.6	83%	0.829	34%	0.335	S	S	*	.			trans	-126.5	86.3	170.4	-74.2	-34.2	0	0	0	106.9
409	S	65.6	Low	81	Confident	56 Å²	56	71.2 Å²	71.2	39%	0.392	35%	0.352	S	S	.	.			trans	-138.8	117.2	-179.1	170.1	0	0	0	0	110.4	N411 W412	S409-N411 CarbonylContact O-C 3.58Å; S409-N411 PolarHBondContact O-N 3.21Å; S409-N411 PolarHBondContact OG-O 2.97Å; S409-W412 PolarHBondContact O-NE1 2.93Å
410	E	63.8	Low	80.9	Confident	189 Å²	189	71.9 Å²	71.9	88%	0.883	36%	0.356	S	S	*	.	S	Bend	trans	-53.4	-27.1	-179.2	-64.1	178.9	169.3	0	0	114.2	W412	E410-W412 PolarHBondContact O-N 3.09Å
411	N	61.1	Low	80.8	Confident	150 Å²	150	73.1 Å²	73.1	80%	0.802	37%	0.366	S	S	*	.	S	Bend	trans	-93.2	87.3	173.1	-68.3	-19.5	0	0	0	110.1	S409	S409-N411 CarbonylContact O-C 3.58Å; S409-N411 PolarHBondContact O-N 3.21Å; S409-N411 PolarHBondContact OG-O 2.97Å
412	W	59.6	Low	80.7	Confident	101 Å²	101	76.7 Å²	76.7	38%	0.383	38%	0.384	S	S	.	.			trans	-98.4	132.6	178.4	-50.4	87.7	0	0	0	111.4	R406 R407 S409 E410 L417	R406-W412 HydrophobicContact CG-CH2 4.34Å; R407-W412 HydrophobicContact CB-CZ3 3.9Å; R407-W412 WeakPolarHBondContact O-CH2 3.43Å; R407-W412 VanDerWaalsContact O-CZ3 3.31Å; R407-W412 WeakPolarHBondContact O-CZ3 3.19Å; S409-W412 PolarHBondContact O-NE1 2.93Å; E410-W412 PolarHBondContact O-N 3.09Å; W412-L417 HydrophobicContact CB-CD2 4.38Å; W412-L417 HydrophobicContact CD2-CD2 4.12Å; W412-L417 HydrophobicContact CE3-CD2 3.51Å; W412-L417 HydrophobicContact CZ3-CD2 3.88Å
413	S	64.3	Low	80.6	Confident	48 Å²	48	78.6 Å²	78.6	34%	0.336	40%	0.396	S	S	.	.			trans	-89.4	147.6	148	65.7	0	0	0	0	108.2	E415 D416	S413-E415 PolarHBondContact O-N 3.05Å; S413-E415 VanDerWaalsContact O-N 3.08Å; S413-D416 PolarHBondContact O-N 2.88Å
414	P	64.2	Low	80.5	Confident	85 Å²	85	81.2 Å²	81.2	55%	0.552	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-57.1	-20.9	173.7	-23.8	33.3	0	0	0	113.7	I362	I362-P414 HydrophobicContact CG2-CB 4.36Å; I362-P414 WeakPolarHBondContact CG2-O 3.41Å
415	E	65.6	Low	80.4	Confident	143 Å²	143	87.8 Å²	87.8	67%	0.668	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-85.2	-8.6	-173.4	-61.9	175.7	177.7	0	0	113.7	Q364 S413	Q364-E415 VanDerWaalsContact CD-O 3.26Å; Q364-E415 WeakPolarHBondContact CG-O 3.4Å; S413-E415 PolarHBondContact O-N 3.05Å; S413-E415 VanDerWaalsContact O-N 3.08Å
416	D	73.4	Confident	80.5	Confident	78 Å²	78	84.1 Å²	84.1	42%	0.417	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-129.1	26.7	-170	-95.5	-47.8	0	0	0	114	R407 S413 Y418	R407-D416 WeakPolarHBondContact CD-O 3.12Å; R407-D416 IonicContact CZ-OD1 3.91Å; R407-D416 VanDerWaalsContact NH1-CB 3.31Å; R407-D416 VanDerWaalsContact NH1-CG 3.32Å; R407-D416 PolarHBondContact NH1-O 3.1Å; R407-D416 IonicContact NH1-OD1 2.84Å; R407-D416 PolarHBondContact NH1-OD1 2.88Å; S413-D416 PolarHBondContact O-N 2.88Å; D416-Y418 PolarHBondContact O-N 2.57Å
417	L	84.5	Confident	80.6	Confident	31 Å²	31	79.5 Å²	79.5	16%	0.162	40%	0.4	C	S	.	.			trans	-69.8	-29.5	-172.8	-67.3	173.3	0	0	0	114.2	R407 W412	R407-L417 PolarHBondContact N-O 3.19Å; W412-L417 HydrophobicContact CB-CD2 4.38Å; W412-L417 HydrophobicContact CD2-CD2 4.12Å; W412-L417 HydrophobicContact CE3-CD2 3.51Å; W412-L417 HydrophobicContact CZ3-CD2 3.88Å
418	Y	90.7	Very high	80.7	Confident	19 Å²	19	78.2 Å²	78.2	8%	0.075	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.9	-172.5	-51.4	-73.3	0	0	0	111.4	I337 P338 F351 A353 Q364 Q405 D416	I337-Y418 HydrophobicContact CG1-CD1 4.48Å; I337-Y418 HydrophobicContact CG2-CE1 4.45Å; P338-Y418 WeakPolarHBondContact CD-OH 3.35Å; P338-Y418 HydrophobicContact CG-CE1 4.42Å; P338-Y418 WeakPolarHBondContact CG-OH 3.5Å; F351-Y418 AromaticContact CD1-CD2 3.73Å; F351-Y418 HydrophobicContact CD1-CD2 3.73Å; F351-Y418 AromaticContact CD1-CE2 3.99Å; F351-Y418 HydrophobicContact CD1-CE2 3.99Å; F351-Y418 HydrophobicContact CD1-CG 4.14Å; F351-Y418 HydrophobicContact CE1-CD1 4.5Å; F351-Y418 AromaticContact CE1-CD2 3.97Å; F351-Y418 HydrophobicContact CE1-CD2 3.97Å; F351-Y418 HydrophobicContact CE1-CE1 4.37Å; F351-Y418 AromaticContact CE1-CE2 3.82Å; F351-Y418 HydrophobicContact CE1-CE2 3.82Å; F351-Y418 HydrophobicContact CE1-CG 4.32Å; A353-Y418 HydrophobicContact CB-CE2 3.76Å; Q364-Y418 VanDerWaalsContact CD-O 3.31Å; Q364-Y418 PolarHBondContact NE2-O 3.2Å; Q364-Y418 PolarHBondContact OE1-O 3.23Å; Q405-Y418 CarbonylContact O-C 3.58Å; Q405-Y418 WeakPolarHBondContact O-CA 3.4Å; D416-Y418 PolarHBondContact O-N 2.57Å
419	E	91.2	Very high	81.7	Confident	92 Å²	92	71 Å²	71	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133	175.3	-176.5	169.2	-176.8	0	0	109.8	L404 Q405 R407 C421	L404-E419 CarbonylContact C-O 3.54Å; L404-E419 WeakPolarHBondContact CA-O 3.38Å; Q405-E419 PolarHBondContact N-O 2.89Å; Q405-E419 PolarHBondContact O-N 3.05Å; R407-E419 HydrophobicContact CG-CB 3.88Å; E419-C421 PolarHBondContact O-N 2.89Å
420	L	95.2	Very high	83	Confident	19 Å²	19	71 Å²	71	10%	0.099	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.7	170.2	175.5	69.4	0	0	0	109.1	L366 P367 L368 F384 C402 I422	L366-L420 HydrophobicContact CB-CD2 4.32Å; L366-L420 HydrophobicContact CD1-CD1 4.37Å; L366-L420 HydrophobicContact CD2-CB 4.44Å; P367-L420 HydrophobicContact CG-CB 4.26Å; P367-L420 HydrophobicContact CG-CD2 4.21Å; L368-L420 HydrophobicContact CD1-CD2 4.17Å; L368-L420 HydrophobicContact CD2-CD2 3.72Å; L368-L420 HydrophobicContact CG-CD2 3.64Å; F384-L420 HydrophobicContact CE2-CD1 3.99Å; F384-L420 HydrophobicContact CZ-CD1 3.49Å; F384-L420 VanDerWaalsContact CZ-CD1 3.49Å; C402-L420 HydrophobicContact CB-CD1 3.78Å; L420-I422 HydrophobicContact CD2-CG1 4.21Å; L420-I422 HydrophobicContact CG-CG1 4.28Å
421	C	95.5	Very high	84.3	Confident	39 Å²	39	65.6 Å²	65.6	26%	0.264	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.4	170.4	177.7	0	0	0	0	109.4	C402 N403 Q405 E419 V423	C402-C421 WeakPolarHBondContact CA-O 3.35Å; N403-C421 PolarHBondContact N-O 2.83Å; N403-C421 VanDerWaalsContact N-O 3.08Å; N403-C421 PolarHBondContact O-N 3.39Å; N403-C421 WeakPolarHBondContact OD1-CB 3.46Å; Q405-C421 HydrophobicContact CG-CB 4.37Å; E419-C421 PolarHBondContact O-N 2.89Å; C421-V423 PolarHBondContact O-N 3.2Å
422	I	95.6	Very high	85.8	Confident	80 Å²	80	59.4 Å²	59.4	41%	0.41	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	100.7	172.6	-59.7	175.5	0	0	0	107.6	L368 F400 L420	L368-I422 HydrophobicContact CD2-CD1 4.31Å; F400-I422 HydrophobicContact CD1-CD1 4.02Å; F400-I422 HydrophobicContact CD1-CG2 3.89Å; F400-I422 HydrophobicContact CE1-CD1 4.29Å; L420-I422 HydrophobicContact CD2-CG1 4.21Å; L420-I422 HydrophobicContact CG-CG1 4.28Å
423	V	94.4	Very high	87.3	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-43.7	179.7	-175.4	0	0	0	0	110.3	F401 C421	F401-V423 HydrophobicContact CD1-CB 3.79Å; F401-V423 HydrophobicContact CD1-CG1 3.97Å; F401-V423 HydrophobicContact CD1-CG2 4.47Å; F401-V423 HydrophobicContact CE1-CB 4.26Å; F401-V423 HydrophobicContact CE1-CG1 4.15Å; F401-V423 WeakPolarHBondContact O-CA 3.47Å; F401-V423 WeakPolarHBondContact O-CB 3.47Å; F401-V423 PolarHBondContact O-N 3.05Å; C421-V423 PolarHBondContact O-N 3.2Å
424	R	94.4	Very high	88.7	Confident	81 Å²	81	56.9 Å²	56.9	31%	0.306	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152	177.9	-51.3	-67.6	178.9	-122.9	10.1	112.2	F400 F401 M470 N473	F400-R424 WeakPolarHBondContact CA-O 3.43Å; F401-R424 HydrophobicContact CB-CB 4.08Å; F401-R424 HydrophobicContact CD1-CG 4.19Å; F401-R424 PolarHBondContact N-O 2.99Å; F401-R424 PolarHBondContact O-N 3.42Å; F401-R424 VanDerWaalsContact O-N 3.08Å; R424-M470 HydrophobicContact CB-SD 4.34Å; R424-M470 HydrophobicContact CG-SD 4.25Å; R424-M470 PolarHBondContact NE-O 2.8Å; R424-N473 WeakPolarHBondContact CD-OD1 3.32Å
425	R	93.4	Very high	90	Very high	144 Å²	144	54.5 Å²	54.5	54%	0.543	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.3	171.2	174.2	-176.3	169.5	162.3	0.1	108.7	H399 F400	H399-R425 WeakPolarHBondContact O-CA 3.42Å; F400-R425 HydrophobicContact CD1-CB 4.19Å; F400-R425 HydrophobicContact CD1-CG 4.18Å; F400-R425 HydrophobicContact CE1-CB 4.22Å; F400-R425 HydrophobicContact CE1-CG 3.79Å; F400-R425 HydrophobicContact CZ-CG 4.37Å
426	F	94.1	Very high	91.4	Very high	14 Å²	14	47.8 Å²	47.8	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	178.9	-178.9	62.6	-82.3	0	0	0	111.3	L385 H399 A455 V457 W468 M470	L385-F426 HydrophobicContact CD1-CE1 4.19Å; L385-F426 HydrophobicContact CD1-CZ 3.99Å; H399-F426 HydrophobicContact CB-CD1 4.11Å; H399-F426 HydrophobicContact CB-CD2 3.92Å; H399-F426 HydrophobicContact CB-CE1 3.76Å; H399-F426 HydrophobicContact CB-CE2 3.57Å; H399-F426 HydrophobicContact CB-CG 4.18Å; H399-F426 HydrophobicContact CB-CZ 3.48Å; H399-F426 VanDerWaalsContact CB-CZ 3.48Å; H399-F426 AromaticContact CD2-CE2 3.94Å; H399-F426 AromaticContact CG-CE2 3.93Å; H399-F426 PolarHBondContact N-O 2.96Å; H399-F426 PolarHBondContact O-N 2.81Å; F426-A455 HydrophobicContact CE2-CB 4.49Å; F426-A455 HydrophobicContact CZ-CB 3.76Å; F426-V457 HydrophobicContact CE2-CG1 3.85Å; F426-V457 HydrophobicContact CE2-CG2 4.11Å; F426-V457 HydrophobicContact CZ-CG1 4.19Å; F426-W468 HydrophobicContact CB-CD2 4.24Å; F426-W468 HydrophobicContact CB-CE3 3.91Å; F426-W468 HydrophobicContact CB-CH2 3.99Å; F426-W468 HydrophobicContact CB-CZ2 4.29Å; F426-W468 HydrophobicContact CB-CZ3 3.79Å; F426-W468 HydrophobicContact CD2-CB 4.35Å; F426-W468 AromaticContact CD2-CD1 3.76Å; F426-W468 AromaticContact CD2-CD2 3.48Å; F426-W468 HydrophobicContact CD2-CD2 3.48Å; F426-W468 VanDerWaalsContact CD2-CD2 3.48Å; F426-W468 AromaticContact CD2-CE2 3.54Å; F426-W468 HydrophobicContact CD2-CE3 4.01Å; F426-W468 AromaticContact CD2-CG 3.64Å; F426-W468 HydrophobicContact CD2-CG 3.64Å; F426-W468 HydrophobicContact CD2-CZ2 4.13Å; F426-W468 AromaticContact CD2-NE1 3.69Å; F426-W468 HydrophobicContact CE2-CB 4.05Å; F426-W468 AromaticContact CE2-CD1 3.6Å; F426-W468 HydrophobicContact CE2-CD2 4.01Å; F426-W468 AromaticContact CE2-CG 3.63Å; F426-W468 HydrophobicContact CE2-CG 3.63Å; F426-W468 AromaticContact CE2-NE1 3.95Å; F426-W468 AromaticContact CG-CD2 3.99Å; F426-W468 HydrophobicContact CG-CD2 3.99Å; F426-W468 HydrophobicContact CG-CE3 4.05Å; F426-W468 HydrophobicContact CG-CG 4.39Å; F426-W468 HydrophobicContact CG-CZ3 4.41Å; F426-W468 HydrophobicContact CZ-CB 4.35Å; F426-W468 HydrophobicContact CZ-CG 4.39Å; F426-M470 HydrophobicContact CD1-CE 4.2Å; F426-M470 HydrophobicContact CE1-CE 3.67Å; F426-M470 HydrophobicContact CE1-SD 3.81Å; F426-M470 HydrophobicContact CZ-CE 3.92Å; F426-M470 HydrophobicContact CZ-SD 4.41Å
427	G	89.5	Confident	92.5	Very high	21 Å²	21	46.2 Å²	46.2	22%	0.216	24%	0.238	C	C	.	.			trans	120.5	135.7	-179.9	0	0	0	0	0	113.4	C397	C397-G427 CarbonylContact O-C 3.59Å
428	S	86.8	Confident	93.1	Very high	56 Å²	56	44.9 Å²	44.9	39%	0.392	23%	0.231	S	C	.	.			trans	-129.3	-10.9	-177	45.5	0	0	0	0	114.4	S430	S428-S430 PolarHBondContact O-N 3.43Å
429	S	92.6	Very high	93.4	Very high	3 Å²	3	44 Å²	44	2%	0.021	23%	0.228	C	C	.	.			trans	-66.8	123.6	-175.4	-162.1	0	0	0	0	111.6	T396 C397 K431 D459 E460 Y461	T396-S429 CarbonylContact C-O 3.56Å; T396-S429 WeakPolarHBondContact CA-O 3.34Å; C397-S429 WeakPolarHBondContact CB-O 3.45Å; C397-S429 PolarHBondContact N-O 2.94Å; C397-S429 PolarHBondContact SG-O 3.03Å; S429-K431 VanDerWaalsContact C-N 3.28Å; S429-K431 PolarHBondContact OG-O 2.62Å; S429-D459 WeakPolarHBondContact CB-OD1 3.4Å; S429-D459 PolarHBondContact OG-OD1 2.75Å; S429-E460 PolarHBondContact OG-N 2.82Å; S429-Y461 WeakPolarHBondContact OG-CB 3.48Å; S429-Y461 PolarHBondContact OG-N 3.06Å
430	S	92.9	Very high	93.7	Very high	58 Å²	58	40 Å²	40	41%	0.406	21%	0.209	S	C	.	.	S	Bend	trans	-84.6	-2.7	176.1	57.1	0	0	0	0	113.3	S428 Y461	S428-S430 PolarHBondContact O-N 3.43Å; S430-Y461 WeakPolarHBondContact OG-CD2 3.42Å
431	K	91.3	Very high	93.6	Very high	75 Å²	75	39.4 Å²	39.4	33%	0.326	21%	0.206	S	C	.	.			trans	-124.3	131.5	-175	-171.3	-176.6	177.5	-170.6	0	110.1	S429 T433 E460 Y461	S429-K431 VanDerWaalsContact C-N 3.28Å; S429-K431 PolarHBondContact OG-O 2.62Å; K431-T433 HydrophobicContact CG-CG2 4.22Å; K431-E460 HydrophobicContact CD-CG 4.21Å; K431-E460 VanDerWaalsContact CE-OE1 3.23Å; K431-E460 WeakPolarHBondContact CE-OE1 3.29Å; K431-E460 HydrophobicContact CG-CG 4.33Å; K431-Y461 HydrophobicContact CB-CD2 4.31Å
432	Q	92.9	Very high	93.4	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.093	21%	0.208	C	C	.	.			trans	-152.2	90.9	167.7	-171.2	173.2	53.7	0	0	110.2	R371 T373 V434 E460	R371-Q432 PolarHBondContact NH1-O 2.9Å; T373-Q432 PolarHBondContact OG1-NE2 2.61Å; T373-Q432 PolarHBondContact OG1-OE1 2.8Å; Q432-V434 WeakPolarHBondContact CG-O 3.42Å; Q432-E460 WeakPolarHBondContact CA-OE2 3.45Å
433	T	91.7	Very high	93	Very high	78 Å²	78	38.6 Å²	38.6	48%	0.479	19%	0.193	S	C	.	.			trans	-88.7	-20.6	179.7	67.5	0	0	0	0	112.1	K431 E460	K431-T433 HydrophobicContact CG-CG2 4.22Å; T433-E460 VanDerWaalsContact CB-OE1 3.28Å; T433-E460 WeakPolarHBondContact CB-OE1 3.42Å; T433-E460 VanDerWaalsContact CG2-OE1 3.23Å; T433-E460 WeakPolarHBondContact CG2-OE1 3.11Å; T433-E460 PolarHBondContact N-OE1 2.89Å; T433-E460 PolarHBondContact N-OE2 2.84Å; T433-E460 PolarHBondContact OG1-OE1 2.84Å; T433-E460 PolarHBondContact OG1-OE2 3.17Å
434	V	92.2	Very high	92.5	Very high	18 Å²	18	39 Å²	39	11%	0.109	20%	0.2	C	C	.	.	S	Bend	trans	-118.8	152.3	-178	-54.2	0	0	0	0	112.3	Q432 S436 E460 T491 Y493	Q432-V434 WeakPolarHBondContact CG-O 3.42Å; V434-S436 PolarHBondContact O-N 3.1Å; V434-E460 PolarHBondContact N-OE2 3.16Å; V434-T491 HydrophobicContact CB-CG2 4.41Å; V434-T491 HydrophobicContact CG1-CG2 3.98Å; V434-T491 HydrophobicContact CG2-CG2 3.54Å; V434-Y493 HydrophobicContact CB-CD1 4.01Å; V434-Y493 HydrophobicContact CB-CE1 3.75Å; V434-Y493 HydrophobicContact CG1-CD1 4.36Å; V434-Y493 HydrophobicContact CG1-CE1 3.61Å; V434-Y493 HydrophobicContact CG2-CD1 4.04Å; V434-Y493 HydrophobicContact CG2-CE1 4.08Å
435	L	93.1	Very high	91.5	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	20%	0.195	C	C	.	.			trans	-75.2	100.5	163.8	-60.2	170.5	0	0	0	107.8	R184 L324 T373	R184-L435 PolarHBondContact NH2-O 2.74Å; L324-L435 HydrophobicContact CD1-CD1 3.69Å; L324-L435 HydrophobicContact CD1-CD2 4.08Å; L324-L435 HydrophobicContact CD1-CG 4.32Å; T373-L435 HydrophobicContact CG2-CD2 3.95Å
436	S	94.2	Very high	90.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	20%	0.197	C	C	.	.			trans	-101	124	176.8	-168.7	0	0	0	0	109.8	S374 V434 N438 I492 Y493	S374-S436 WeakPolarHBondContact CB-O 3.2Å; S374-S436 PolarHBondContact OG-O 2.93Å; V434-S436 PolarHBondContact O-N 3.1Å; S436-N438 PolarHBondContact O-N 2.91Å; S436-N438 PolarHBondContact O-ND2 2.94Å; S436-I492 WeakPolarHBondContact CB-O 3.39Å; S436-I492 PolarHBondContact OG-O 3.16Å; S436-Y493 CarbonylContact C-O 3.52Å; S436-Y493 WeakPolarHBondContact CA-O 3.18Å
437	R	97.1	Very high	89.2	Confident	44 Å²	44	40.4 Å²	40.4	17%	0.166	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-80.6	112.5	175.8	-67.2	173.8	174.8	-159.7	-6.1	108.6	R232 D233 Y493 D494 L495	R232-R437 PolarHBondContact O-NH2 2.84Å; D233-R437 IonicContact OD1-CZ 3.85Å; D233-R437 VanDerWaalsContact OD1-CZ 3.26Å; D233-R437 IonicContact OD1-NH1 3.69Å; D233-R437 PolarHBondContact OD1-NH1 2.97Å; D233-R437 IonicContact OD1-NH2 2.88Å; D233-R437 PolarHBondContact OD1-NH2 3.47Å; D233-R437 IonicContact OD2-NH2 2.74Å; R437-Y493 PolarHBondContact N-O 2.91Å; R437-D494 HydrophobicContact CB-CB 4.46Å; R437-D494 VanDerWaalsContact CB-OD1 3.24Å; R437-D494 WeakPolarHBondContact CB-OD1 3.2Å; R437-D494 WeakPolarHBondContact CD-OD1 3.08Å; R437-D494 WeakPolarHBondContact CD-OD2 3.2Å; R437-D494 IonicContact NH1-OD2 2.82Å; R437-L495 WeakPolarHBondContact O-CB 3.19Å; R437-L495 PolarHBondContact O-N 2.89Å
438	N	97.5	Very high	88.4	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	24%	0.243	C	C	.	.			trans	-90.3	156.4	173	-53.4	-78.8	0	0	0	108.8	S374 F376 L385 S387 S436 A456 V457 Y458	S374-N438 PolarHBondContact OG-ND2 2.91Å; F376-N438 WeakPolarHBondContact CB-O 3.43Å; L385-N438 HydrophobicContact CD2-CB 3.88Å; S387-N438 PolarHBondContact OG-ND2 2.91Å; S436-N438 PolarHBondContact O-N 2.91Å; S436-N438 PolarHBondContact O-ND2 2.94Å; N438-A456 WeakPolarHBondContact CB-O 3.11Å; N438-V457 HydrophobicContact CB-CG1 4.04Å; N438-V457 WeakPolarHBondContact OD1-CA 3.04Å; N438-Y458 PolarHBondContact OD1-N 3.49Å
439	C	96.8	Very high	87.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.5	-177.3	66.3	0	0	0	0	113.4	F376 A456 L495	F376-C439 HydrophobicContact CD2-CB 3.77Å; F376-C439 HydrophobicContact CE2-CB 3.59Å; F376-C439 HydrophobicContact CG-CB 4.38Å; F376-C439 HydrophobicContact CZ-CB 4.07Å; C439-A456 PolarHBondContact N-O 2.99Å; C439-A456 PolarHBondContact O-N 3.4Å; C439-L495 WeakPolarHBondContact CB-O 3.06Å
440	L	96.4	Very high	87.3	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148.2	164.8	-66.3	170.1	0	0	0	109.2	F376 D378 L385 F401 V454 A455	F376-L440 HydrophobicContact CD1-CB 3.75Å; F376-L440 HydrophobicContact CD1-CD1 4.31Å; F376-L440 HydrophobicContact CD1-CG 4.1Å; F376-L440 HydrophobicContact CE1-CB 3.8Å; F376-L440 WeakPolarHBondContact CE1-O 3.4Å; F376-L440 WeakPolarHBondContact CZ-O 3.38Å; D378-L440 HydrophobicContact CB-CB 4.39Å; D378-L440 HydrophobicContact CB-CD1 4.46Å; L385-L440 HydrophobicContact CB-CD1 3.81Å; L385-L440 HydrophobicContact CB-CD2 4.07Å; L385-L440 HydrophobicContact CB-CG 3.74Å; L385-L440 HydrophobicContact CD2-CD2 4.34Å; L385-L440 HydrophobicContact CD2-CG 4.42Å; F401-L440 HydrophobicContact CD2-CD1 4.01Å; F401-L440 HydrophobicContact CD2-CD2 3.8Å; F401-L440 HydrophobicContact CE2-CD1 3.88Å; F401-L440 HydrophobicContact CE2-CD2 3.9Å; L440-V454 WeakPolarHBondContact CA-O 3.26Å; L440-A455 HydrophobicContact CD2-CB 3.78Å
441	F	94.1	Very high	86.9	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.9	172.2	62.4	-84.6	0	0	0	111	Y443 V454 A456 L467 T497 L520	F441-Y443 HydrophobicContact CE2-CD2 4.46Å; F441-V454 HydrophobicContact CD1-CB 4.42Å; F441-V454 HydrophobicContact CD2-CB 4.21Å; F441-V454 HydrophobicContact CE1-CB 3.94Å; F441-V454 HydrophobicContact CE1-CG1 3.72Å; F441-V454 HydrophobicContact CE2-CB 3.7Å; F441-V454 HydrophobicContact CE2-CG1 3.94Å; F441-V454 HydrophobicContact CE2-CG2 4.25Å; F441-V454 HydrophobicContact CZ-CB 3.58Å; F441-V454 HydrophobicContact CZ-CG1 3.32Å; F441-V454 HydrophobicContact CZ-CG2 4.46Å; F441-V454 PolarHBondContact N-O 3.27Å; F441-V454 PolarHBondContact O-N 2.91Å; F441-A456 HydrophobicContact CE1-CB 3.91Å; F441-L467 HydrophobicContact CE1-CD2 4.37Å; F441-L467 HydrophobicContact CZ-CD2 4.28Å; F441-T497 HydrophobicContact CB-CG2 3.76Å; F441-T497 WeakPolarHBondContact CB-OG1 3.43Å; F441-T497 HydrophobicContact CD1-CG2 3.56Å; F441-T497 HydrophobicContact CD2-CG2 4.19Å; F441-T497 HydrophobicContact CE1-CG2 4.15Å; F441-T497 HydrophobicContact CG-CG2 3.57Å; F441-L520 HydrophobicContact CD2-CD1 3.98Å; F441-L520 HydrophobicContact CE1-CD1 4.49Å; F441-L520 HydrophobicContact CE2-CD1 3.35Å; F441-L520 HydrophobicContact CZ-CD1 3.64Å
442	R	91.2	Very high	86.8	Confident	80 Å²	80	46.5 Å²	46.5	30%	0.302	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.9	175.3	-70.7	-76.6	174.2	91	-24.9	109.8	L451 N452 S453 Q505	R442-L451 HydrophobicContact CB-CD2 4.43Å; R442-N452 WeakPolarHBondContact CA-O 3.31Å; R442-S453 PolarHBondContact NE-OG 2.86Å; R442-S453 VanDerWaalsContact NE-OG 3.09Å; R442-Q505 PolarHBondContact O-NE2 2.88Å; R442-Q505 PolarHBondContact O-OE1 3.08Å
443	Y	87.5	Confident	86.8	Confident	23 Å²	23	46 Å²	46	9%	0.09	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.1	178	-171.8	-96.3	0	0	0	109.7	P167 F441 N452 Q505 L520 L521	P167-Y443 HydrophobicContact CB-CD1 3.86Å; P167-Y443 HydrophobicContact CB-CE1 3.96Å; P167-Y443 HydrophobicContact CB-CG 4.23Å; P167-Y443 HydrophobicContact CG-CD1 4.42Å; F441-Y443 HydrophobicContact CE2-CD2 4.46Å; Y443-N452 PolarHBondContact N-O 3.16Å; Y443-N452 PolarHBondContact O-N 3.3Å; Y443-Q505 VanDerWaalsContact CD2-OE1 3.28Å; Y443-L520 HydrophobicContact CD2-CB 4.33Å; Y443-L520 HydrophobicContact CE2-CB 4Å; Y443-L521 PolarHBondContact OH-O 3.39Å; Y443-L521 PolarHBondContact OH-OXT 2.81Å
444	A	82.3	Confident	86.9	Confident	49 Å²	49	42.3 Å²	42.3	41%	0.405	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.2	175.6	0	0	0	0	0	109.9	Q446 S450 L451	A444-Q446 PolarHBondContact O-N 3.45Å; A444-S450 WeakPolarHBondContact CA-O 2.98Å; A444-L451 HydrophobicContact CB-CD2 4.02Å
445	D	73.8	Confident	87.1	Confident	36 Å²	36	41.4 Å²	41.4	19%	0.193	24%	0.239	C	C	.	.			trans	-64.8	121	170.1	-179.3	-29.7	0	0	0	109.5	T447 T448 G449 S450	D445-T447 PolarHBondContact O-N 3.1Å; D445-T447 WeakPolarHBondContact OD1-CA 3.3Å; D445-T447 WeakPolarHBondContact OD1-CB 3.29Å; D445-T447 PolarHBondContact OD1-N 2.78Å; D445-T447 PolarHBondContact OD1-OG1 3.19Å; D445-T448 VanDerWaalsContact CB-OG1 3.29Å; D445-T448 WeakPolarHBondContact CB-OG1 3.49Å; D445-T448 PolarHBondContact OD1-N 3.02Å; D445-T448 PolarHBondContact OD2-OG1 2.74Å; D445-G449 WeakPolarHBondContact O-CA 3.23Å; D445-G449 PolarHBondContact O-N 3.3Å; D445-S450 PolarHBondContact N-O 3.27Å
446	Q	71.4	Confident	87.2	Confident	128 Å²	128	39.8 Å²	39.8	60%	0.598	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.4	-177.4	-57.2	-168.1	21.3	0	0	112.9	A444 L521	A444-Q446 PolarHBondContact O-N 3.45Å; Q446-L521 PolarHBondContact NE2-OXT 3Å
447	T	68.7	Low	87.3	Confident	105 Å²	105	39.7 Å²	39.7	64%	0.644	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-39.4	-175.6	66.9	0	0	0	0	113.1	D445	D445-T447 PolarHBondContact O-N 3.1Å; D445-T447 WeakPolarHBondContact OD1-CA 3.3Å; D445-T447 WeakPolarHBondContact OD1-CB 3.29Å; D445-T447 PolarHBondContact OD1-N 2.78Å; D445-T447 PolarHBondContact OD1-OG1 3.19Å
448	T	71.6	Confident	87.2	Confident	98 Å²	98	38.1 Å²	38.1	60%	0.601	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-17.7	-177.5	60.9	0	0	0	0	113.3	D445 S450	D445-T448 VanDerWaalsContact CB-OG1 3.29Å; D445-T448 WeakPolarHBondContact CB-OG1 3.49Å; D445-T448 PolarHBondContact OD1-N 3.02Å; D445-T448 PolarHBondContact OD2-OG1 2.74Å; T448-S450 PolarHBondContact O-N 2.75Å; T448-S450 WeakPolarHBondContact OG1-CB 3.48Å; T448-S450 PolarHBondContact OG1-N 2.86Å
449	G	75.5	Confident	87.1	Confident	57 Å²	57	38.1 Å²	38.1	59%	0.588	22%	0.224	S	C	*	.			trans	68.9	3.4	-169.1	0	0	0	0	0	113.7	D445	D445-G449 WeakPolarHBondContact O-CA 3.23Å; D445-G449 PolarHBondContact O-N 3.3Å
450	S	80.9	Confident	86.9	Confident	57 Å²	57	38.7 Å²	38.7	40%	0.399	23%	0.226	S	C	.	.			trans	-71.2	133.8	-178.9	-176.3	0	0	0	0	110.6	A444 D445 T448 N452	A444-S450 WeakPolarHBondContact CA-O 2.98Å; D445-S450 PolarHBondContact N-O 3.27Å; T448-S450 PolarHBondContact O-N 2.75Å; T448-S450 WeakPolarHBondContact OG1-CB 3.48Å; T448-S450 PolarHBondContact OG1-N 2.86Å; S450-N452 PolarHBondContact O-N 2.85Å; S450-N452 PolarHBondContact OG-OD1 3.3Å
451	L	85.7	Confident	86.7	Confident	108 Å²	108	45.2 Å²	45.2	57%	0.565	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	103.9	172.4	-75.6	166.6	0	0	0	109.3	R442 A444	R442-L451 HydrophobicContact CB-CD2 4.43Å; A444-L451 HydrophobicContact CB-CD2 4.02Å
452	N	88.4	Confident	86.5	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.112	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	148.3	178.9	-62.5	-23.4	0	0	0	110.7	R442 Y443 S450 D471	R442-N452 WeakPolarHBondContact CA-O 3.31Å; Y443-N452 PolarHBondContact N-O 3.16Å; Y443-N452 PolarHBondContact O-N 3.3Å; S450-N452 PolarHBondContact O-N 2.85Å; S450-N452 PolarHBondContact OG-OD1 3.3Å; N452-D471 WeakPolarHBondContact CA-OD2 3.45Å; N452-D471 WeakPolarHBondContact CB-OD2 3.26Å
453	S	92.5	Very high	86.5	Confident	9 Å²	9	45.7 Å²	45.7	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.1	174.2	-56.8	0	0	0	0	109.7	R442 M470 D471	R442-S453 PolarHBondContact NE-OG 2.86Å; R442-S453 VanDerWaalsContact NE-OG 3.09Å; S453-M470 WeakPolarHBondContact O-CB 3.23Å; S453-M470 PolarHBondContact O-N 2.99Å; S453-D471 PolarHBondContact N-OD2 2.81Å
454	V	94.1	Very high	86.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.7	-176.8	-175.9	0	0	0	0	109.8	L440 F441 L467 W468	L440-V454 WeakPolarHBondContact CA-O 3.26Å; F441-V454 HydrophobicContact CD1-CB 4.42Å; F441-V454 HydrophobicContact CD2-CB 4.21Å; F441-V454 HydrophobicContact CE1-CB 3.94Å; F441-V454 HydrophobicContact CE1-CG1 3.72Å; F441-V454 HydrophobicContact CE2-CB 3.7Å; F441-V454 HydrophobicContact CE2-CG1 3.94Å; F441-V454 HydrophobicContact CE2-CG2 4.25Å; F441-V454 HydrophobicContact CZ-CB 3.58Å; F441-V454 HydrophobicContact CZ-CG1 3.32Å; F441-V454 HydrophobicContact CZ-CG2 4.46Å; F441-V454 PolarHBondContact N-O 3.27Å; F441-V454 PolarHBondContact O-N 2.91Å; V454-L467 HydrophobicContact CG1-CB 4.28Å; V454-W468 CarbonylContact C-O 3.46Å; V454-W468 WeakPolarHBondContact CA-O 3.37Å; V454-W468 WeakPolarHBondContact CG1-O 3.5Å
455	A	96	Very high	87.3	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.2	170	0	0	0	0	0	109.9	L385 F426 L440 L467 W468 M470	L385-A455 HydrophobicContact CD2-CB 4.21Å; F426-A455 HydrophobicContact CE2-CB 4.49Å; F426-A455 HydrophobicContact CZ-CB 3.76Å; L440-A455 HydrophobicContact CD2-CB 3.78Å; A455-L467 WeakPolarHBondContact O-CA 3.2Å; A455-W468 HydrophobicContact CB-CB 4.49Å; A455-W468 PolarHBondContact N-O 2.86Å; A455-W468 PolarHBondContact O-N 3.13Å; A455-M470 HydrophobicContact CB-CE 3.97Å; A455-M470 HydrophobicContact CB-SD 4.37Å
456	A	96.1	Very high	88.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.4	164.8	0	0	0	0	0	108.8	N438 C439 F441 I465 E466 L467 L495 L507	N438-A456 WeakPolarHBondContact CB-O 3.11Å; C439-A456 PolarHBondContact N-O 2.99Å; C439-A456 PolarHBondContact O-N 3.4Å; F441-A456 HydrophobicContact CE1-CB 3.91Å; A456-I465 HydrophobicContact CB-CG2 4.31Å; A456-E466 WeakPolarHBondContact CA-O 3.49Å; A456-L467 HydrophobicContact CB-CD2 3.69Å; A456-L495 HydrophobicContact CB-CD1 4.33Å; A456-L507 HydrophobicContact CB-CD1 3.89Å; A456-L507 HydrophobicContact CB-CD2 4.19Å
457	V	96.3	Very high	89.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.7	179.2	-59.4	0	0	0	0	111.3	L385 F426 N438 I465 E466	L385-V457 HydrophobicContact CD2-CG1 4.25Å; F426-V457 HydrophobicContact CE2-CG1 3.85Å; F426-V457 HydrophobicContact CE2-CG2 4.11Å; F426-V457 HydrophobicContact CZ-CG1 4.19Å; N438-V457 HydrophobicContact CB-CG1 4.04Å; N438-V457 WeakPolarHBondContact OD1-CA 3.04Å; V457-I465 CarbonylContact O-C 3.56Å; V457-I465 WeakPolarHBondContact O-CA 3.34Å; V457-E466 HydrophobicContact CG2-CB 3.86Å; V457-E466 PolarHBondContact N-O 3.26Å; V457-E466 PolarHBondContact O-N 2.84Å
458	Y	95.6	Very high	90.5	Very high	11 Å²	11	33.1 Å²	33.1	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.1	175.4	178.3	-123.4	0	0	0	111.3	N438 E460 H463 Q464 I465 V481 T491 I492	N438-Y458 PolarHBondContact OD1-N 3.49Å; Y458-E460 HydrophobicContact CD1-CB 4.25Å; Y458-E460 HydrophobicContact CE1-CB 3.71Å; Y458-E460 HydrophobicContact CE1-CG 3.9Å; Y458-H463 PolarHBondContact OH-CD2 2.81Å; Y458-Q464 WeakPolarHBondContact CD2-O 3.45Å; Y458-I465 HydrophobicContact CD2-CG1 4.41Å; Y458-V481 HydrophobicContact CD2-CG2 4.37Å; Y458-V481 HydrophobicContact CE2-CG2 3.98Å; Y458-T491 HydrophobicContact CE1-CG2 3.82Å; Y458-I492 HydrophobicContact CD1-CB 3.87Å; Y458-I492 HydrophobicContact CD2-CB 3.81Å; Y458-I492 HydrophobicContact CD2-CG1 3.74Å; Y458-I492 HydrophobicContact CE1-CB 4.08Å; Y458-I492 HydrophobicContact CE2-CB 4.02Å; Y458-I492 HydrophobicContact CE2-CG1 3.69Å; Y458-I492 HydrophobicContact CG-CB 3.73Å; Y458-I492 HydrophobicContact CG-CG1 4.21Å; Y458-I492 HydrophobicContact CG-CG2 4.46Å
459	D	94.2	Very high	91.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	101.2	169.4	-177.7	-14.8	0	0	0	109.2	S429 Y461 N462 H463 Q464 E466	S429-D459 WeakPolarHBondContact CB-OD1 3.4Å; S429-D459 PolarHBondContact OG-OD1 2.75Å; D459-Y461 VanDerWaalsContact C-N 3.34Å; D459-Y461 WeakPolarHBondContact OD1-CB 3.16Å; D459-Y461 PolarHBondContact OD1-N 2.79Å; D459-N462 PolarHBondContact OD1-N 2.86Å; D459-N462 PolarHBondContact OD2-ND2 2.86Å; D459-H463 WeakPolarHBondContact O-CA 3.5Å; D459-H463 PolarHBondContact O-N 2.83Å; D459-Q464 HydrophobicContact CB-CG 3.99Å; D459-Q464 PolarHBondContact N-O 2.72Å; D459-Q464 PolarHBondContact O-N 2.82Å; D459-Q464 VanDerWaalsContact O-N 3.14Å; D459-E466 HydrophobicContact CB-CG 4.23Å
460	E	93.3	Very high	92.2	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.051	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.9	-178.3	-168	-173.7	135.1	0	0	112.8	S429 K431 Q432 T433 V434 Y458 T491	S429-E460 PolarHBondContact OG-N 2.82Å; K431-E460 HydrophobicContact CD-CG 4.21Å; K431-E460 VanDerWaalsContact CE-OE1 3.23Å; K431-E460 WeakPolarHBondContact CE-OE1 3.29Å; K431-E460 HydrophobicContact CG-CG 4.33Å; Q432-E460 WeakPolarHBondContact CA-OE2 3.45Å; T433-E460 VanDerWaalsContact CB-OE1 3.28Å; T433-E460 WeakPolarHBondContact CB-OE1 3.42Å; T433-E460 VanDerWaalsContact CG2-OE1 3.23Å; T433-E460 WeakPolarHBondContact CG2-OE1 3.11Å; T433-E460 PolarHBondContact N-OE1 2.89Å; T433-E460 PolarHBondContact N-OE2 2.84Å; T433-E460 PolarHBondContact OG1-OE1 2.84Å; T433-E460 PolarHBondContact OG1-OE2 3.17Å; V434-E460 PolarHBondContact N-OE2 3.16Å; Y458-E460 HydrophobicContact CD1-CB 4.25Å; Y458-E460 HydrophobicContact CE1-CB 3.71Å; Y458-E460 HydrophobicContact CE1-CG 3.9Å; E460-T491 HydrophobicContact CG-CG2 4.3Å
461	Y	91.5	Very high	92.4	Very high	145 Å²	145	27.4 Å²	27.4	57%	0.569	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-45.8	177.2	-179.1	-92.4	0	0	0	111.3	S429 S430 K431 D459	S429-Y461 WeakPolarHBondContact OG-CB 3.48Å; S429-Y461 PolarHBondContact OG-N 3.06Å; S430-Y461 WeakPolarHBondContact OG-CD2 3.42Å; K431-Y461 HydrophobicContact CB-CD2 4.31Å; D459-Y461 VanDerWaalsContact C-N 3.34Å; D459-Y461 WeakPolarHBondContact OD1-CB 3.16Å; D459-Y461 PolarHBondContact OD1-N 2.79Å
462	N	91	Very high	92.3	Very high	83 Å²	83	25.9 Å²	25.9	44%	0.444	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.3	-179.9	-67.3	-54.3	0	0	0	113.8	D459 Q464	D459-N462 PolarHBondContact OD1-N 2.86Å; D459-N462 PolarHBondContact OD2-ND2 2.86Å; N462-Q464 VanDerWaalsContact C-N 3.33Å; N462-Q464 HydrophobicContact CB-CG 3.85Å; N462-Q464 PolarHBondContact O-N 2.79Å
463	H	90.8	Very high	91.7	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.065	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	47.6	-178.7	-162.6	-97.3	0	0	0	113.6	Y458 D459 V481 H490	Y458-H463 PolarHBondContact OH-CD2 2.81Å; D459-H463 WeakPolarHBondContact O-CA 3.5Å; D459-H463 PolarHBondContact O-N 2.83Å; H463-V481 VanDerWaalsContact CE1-CB 3.48Å; H463-V481 WeakPolarHBondContact CE1-CB 3.42Å; H463-V481 PolarHBondContact CE1-O 2.72Å; H463-V481 VanDerWaalsContact CE1-O 3.26Å; H463-V481 PolarHBondContact ND1-O 2.92Å; H463-V481 PolarHBondContact O-N 2.88Å; H463-V481 VanDerWaalsContact O-N 3.16Å; H463-H490 WeakPolarHBondContact NE2-CB 3.36Å
464	Q	92.5	Very high	91.3	Very high	37 Å²	37	31.9 Å²	31.9	17%	0.173	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	157.6	-175	67.1	-175.6	5.1	0	0	112	Y458 D459 N462 E466 A479	Y458-Q464 WeakPolarHBondContact CD2-O 3.45Å; D459-Q464 HydrophobicContact CB-CG 3.99Å; D459-Q464 PolarHBondContact N-O 2.72Å; D459-Q464 PolarHBondContact O-N 2.82Å; D459-Q464 VanDerWaalsContact O-N 3.14Å; N462-Q464 VanDerWaalsContact C-N 3.33Å; N462-Q464 HydrophobicContact CB-CG 3.85Å; N462-Q464 PolarHBondContact O-N 2.79Å; Q464-E466 HydrophobicContact CG-CG 4.37Å; Q464-E466 PolarHBondContact NE2-OE1 2.96Å; Q464-A479 CarbonylContact C-O 3.57Å; Q464-A479 WeakPolarHBondContact CA-O 3.34Å; Q464-A479 WeakPolarHBondContact CB-O 3.29Å
465	I	94	Very high	90.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.5	170.4	-58.3	162.9	0	0	0	107.8	A456 V457 Y458 L467 C478 A479 V481 L495 L507 A509 Y518	A456-I465 HydrophobicContact CB-CG2 4.31Å; V457-I465 CarbonylContact O-C 3.56Å; V457-I465 WeakPolarHBondContact O-CA 3.34Å; Y458-I465 HydrophobicContact CD2-CG1 4.41Å; I465-L467 HydrophobicContact CG2-CD2 4.46Å; I465-C478 WeakPolarHBondContact O-CA 3.4Å; I465-A479 PolarHBondContact N-O 3.2Å; I465-A479 PolarHBondContact O-N 3.32Å; I465-V481 HydrophobicContact CD1-CG2 4.1Å; I465-V481 HydrophobicContact CG1-CG2 3.88Å; I465-L495 HydrophobicContact CD1-CD2 3.85Å; I465-L495 HydrophobicContact CG1-CD2 4.22Å; I465-L495 HydrophobicContact CG2-CD1 4.3Å; I465-L495 HydrophobicContact CG2-CD2 4.42Å; I465-L507 HydrophobicContact CG2-CD2 4.03Å; I465-A509 HydrophobicContact CD1-CB 3.55Å; I465-Y518 HydrophobicContact CD1-CD2 4.38Å; I465-Y518 HydrophobicContact CD1-CE2 3.68Å
466	E	94.1	Very high	90.2	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.8	175.6	-52.9	-167.8	135.6	0	0	110.4	A456 V457 D459 Q464 W468 R475	A456-E466 WeakPolarHBondContact CA-O 3.49Å; V457-E466 HydrophobicContact CG2-CB 3.86Å; V457-E466 PolarHBondContact N-O 3.26Å; V457-E466 PolarHBondContact O-N 2.84Å; D459-E466 HydrophobicContact CB-CG 4.23Å; Q464-E466 HydrophobicContact CG-CG 4.37Å; Q464-E466 PolarHBondContact NE2-OE1 2.96Å; E466-W468 PolarHBondContact OE2-NE1 2.9Å; E466-R475 HydrophobicContact CB-CG 4.46Å; E466-R475 WeakPolarHBondContact OE1-CD 3.5Å; E466-R475 IonicContact OE1-CZ 3.74Å; E466-R475 IonicContact OE1-NH1 3.55Å; E466-R475 PolarHBondContact OE1-NH1 3.35Å
467	L	94.1	Very high	89.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128	170.1	-57.9	-172.9	0	0	0	109.3	A169 F441 V454 A455 A456 I465 R475 T476 H477 L507 L520	A169-L467 HydrophobicContact CB-CD1 3.94Å; F441-L467 HydrophobicContact CE1-CD2 4.37Å; F441-L467 HydrophobicContact CZ-CD2 4.28Å; V454-L467 HydrophobicContact CG1-CB 4.28Å; A455-L467 WeakPolarHBondContact O-CA 3.2Å; A456-L467 HydrophobicContact CB-CD2 3.69Å; I465-L467 HydrophobicContact CG2-CD2 4.46Å; L467-R475 CarbonylContact O-C 3.53Å; L467-R475 WeakPolarHBondContact O-CA 3.48Å; L467-T476 WeakPolarHBondContact CB-OG1 3.48Å; L467-T476 PolarHBondContact O-N 2.89Å; L467-T476 PolarHBondContact O-OG1 2.83Å; L467-H477 HydrophobicContact CB-CB 4.37Å; L467-H477 HydrophobicContact CD1-CB 4.35Å; L467-H477 PolarHBondContact N-O 3.27Å; L467-L507 HydrophobicContact CD2-CD2 4.1Å; L467-L520 HydrophobicContact CD1-CD2 4.03Å
468	W	93.3	Very high	88.9	Confident	36 Å²	36	42 Å²	42	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.8	179.3	-69	78.1	0	0	0	109.7	F426 V454 A455 E466 M470 R475	F426-W468 HydrophobicContact CB-CD2 4.24Å; F426-W468 HydrophobicContact CB-CE3 3.91Å; F426-W468 HydrophobicContact CB-CH2 3.99Å; F426-W468 HydrophobicContact CB-CZ2 4.29Å; F426-W468 HydrophobicContact CB-CZ3 3.79Å; F426-W468 HydrophobicContact CD2-CB 4.35Å; F426-W468 AromaticContact CD2-CD1 3.76Å; F426-W468 AromaticContact CD2-CD2 3.48Å; F426-W468 HydrophobicContact CD2-CD2 3.48Å; F426-W468 VanDerWaalsContact CD2-CD2 3.48Å; F426-W468 AromaticContact CD2-CE2 3.54Å; F426-W468 HydrophobicContact CD2-CE3 4.01Å; F426-W468 AromaticContact CD2-CG 3.64Å; F426-W468 HydrophobicContact CD2-CG 3.64Å; F426-W468 HydrophobicContact CD2-CZ2 4.13Å; F426-W468 AromaticContact CD2-NE1 3.69Å; F426-W468 HydrophobicContact CE2-CB 4.05Å; F426-W468 AromaticContact CE2-CD1 3.6Å; F426-W468 HydrophobicContact CE2-CD2 4.01Å; F426-W468 AromaticContact CE2-CG 3.63Å; F426-W468 HydrophobicContact CE2-CG 3.63Å; F426-W468 AromaticContact CE2-NE1 3.95Å; F426-W468 AromaticContact CG-CD2 3.99Å; F426-W468 HydrophobicContact CG-CD2 3.99Å; F426-W468 HydrophobicContact CG-CE3 4.05Å; F426-W468 HydrophobicContact CG-CG 4.39Å; F426-W468 HydrophobicContact CG-CZ3 4.41Å; F426-W468 HydrophobicContact CZ-CB 4.35Å; F426-W468 HydrophobicContact CZ-CG 4.39Å; V454-W468 CarbonylContact C-O 3.46Å; V454-W468 WeakPolarHBondContact CA-O 3.37Å; V454-W468 WeakPolarHBondContact CG1-O 3.5Å; A455-W468 HydrophobicContact CB-CB 4.49Å; A455-W468 PolarHBondContact N-O 2.86Å; A455-W468 PolarHBondContact O-N 3.13Å; E466-W468 PolarHBondContact OE2-NE1 2.9Å; W468-M470 HydrophobicContact CB-CE 3.28Å; W468-M470 HydrophobicContact CG-CE 4.43Å; W468-M470 VanDerWaalsContact O-CE 3.26Å; W468-M470 WeakPolarHBondContact O-CE 3.36Å; W468-R475 HydrophobicContact CD2-CB 3.85Å; W468-R475 HydrophobicContact CD2-CG 4.22Å; W468-R475 HydrophobicContact CE3-CB 3.95Å; W468-R475 HydrophobicContact CH2-CB 3.94Å; W468-R475 HydrophobicContact CZ2-CB 3.83Å; W468-R475 HydrophobicContact CZ2-CG 4.09Å; W468-R475 HydrophobicContact CZ3-CB 4Å
469	N	91	Very high	88.3	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119	172.8	179.1	-33.9	0	0	0	108.5	D471 T472 N473 E474 T476	N469-D471 VanDerWaalsContact C-N 3.35Å; N469-D471 WeakPolarHBondContact OD1-CB 3.26Å; N469-D471 PolarHBondContact OD1-N 2.88Å; N469-T472 WeakPolarHBondContact CB-OG1 3.17Å; N469-T472 PolarHBondContact OD1-N 3.01Å; N469-T472 VanDerWaalsContact OD1-N 3.17Å; N469-N473 WeakPolarHBondContact O-CA 3.15Å; N469-N473 PolarHBondContact O-N 3.1Å; N469-E474 PolarHBondContact N-O 3.21Å; N469-E474 PolarHBondContact O-N 2.8Å; N469-T476 HydrophobicContact CB-CG2 3.56Å
470	M	90.9	Very high	87.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.2	-174.5	-64	-61.9	98.4	0	0	113	F401 R424 F426 S453 A455 W468	F401-M470 HydrophobicContact CB-CG 4.41Å; F401-M470 HydrophobicContact CB-SD 3.49Å; F401-M470 WeakPolarHBondContact CB-SD 3.13Å; F401-M470 HydrophobicContact CD1-CB 3.79Å; F401-M470 HydrophobicContact CD1-CG 3.81Å; F401-M470 HydrophobicContact CD1-SD 3.83Å; F401-M470 HydrophobicContact CD2-CG 3.88Å; F401-M470 HydrophobicContact CD2-SD 4.03Å; F401-M470 HydrophobicContact CE1-CB 3.61Å; F401-M470 HydrophobicContact CE1-CG 3.93Å; F401-M470 HydrophobicContact CE2-CB 4.45Å; F401-M470 HydrophobicContact CE2-CG 3.97Å; F401-M470 HydrophobicContact CG-CB 4.3Å; F401-M470 HydrophobicContact CG-CG 3.78Å; F401-M470 HydrophobicContact CG-SD 3.53Å; F401-M470 VanDerWaalsContact CG-SD 3.53Å; F401-M470 HydrophobicContact CZ-CB 3.95Å; F401-M470 HydrophobicContact CZ-CG 3.99Å; R424-M470 HydrophobicContact CB-SD 4.34Å; R424-M470 HydrophobicContact CG-SD 4.25Å; R424-M470 PolarHBondContact NE-O 2.8Å; F426-M470 HydrophobicContact CD1-CE 4.2Å; F426-M470 HydrophobicContact CE1-CE 3.67Å; F426-M470 HydrophobicContact CE1-SD 3.81Å; F426-M470 HydrophobicContact CZ-CE 3.92Å; F426-M470 HydrophobicContact CZ-SD 4.41Å; S453-M470 WeakPolarHBondContact O-CB 3.23Å; S453-M470 PolarHBondContact O-N 2.99Å; A455-M470 HydrophobicContact CB-CE 3.97Å; A455-M470 HydrophobicContact CB-SD 4.37Å; W468-M470 HydrophobicContact CB-CE 3.28Å; W468-M470 HydrophobicContact CG-CE 4.43Å; W468-M470 VanDerWaalsContact O-CE 3.26Å; W468-M470 WeakPolarHBondContact O-CE 3.36Å
471	D	85.3	Confident	87.3	Confident	82 Å²	82	45 Å²	45	44%	0.439	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-44.1	179.2	-55.6	-53.1	0	0	0	110.4	N452 S453 N469	N452-D471 WeakPolarHBondContact CA-OD2 3.45Å; N452-D471 WeakPolarHBondContact CB-OD2 3.26Å; S453-D471 PolarHBondContact N-OD2 2.81Å; N469-D471 VanDerWaalsContact C-N 3.35Å; N469-D471 WeakPolarHBondContact OD1-CB 3.26Å; N469-D471 PolarHBondContact OD1-N 2.88Å
472	T	83	Confident	86.8	Confident	77 Å²	77	40.2 Å²	40.2	47%	0.472	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.6	177.5	64.2	0	0	0	0	114.2	N469 E474	N469-T472 WeakPolarHBondContact CB-OG1 3.17Å; N469-T472 PolarHBondContact OD1-N 3.01Å; N469-T472 VanDerWaalsContact OD1-N 3.17Å; T472-E474 PolarHBondContact O-N 3.22Å; T472-E474 PolarHBondContact OG1-N 3.1Å
473	N	77.5	Confident	86.1	Confident	69 Å²	69	38.5 Å²	38.5	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	28.1	-170.4	-163.2	39.7	0	0	0	114	R424 N469	R424-N473 WeakPolarHBondContact CD-OD1 3.32Å; N469-N473 WeakPolarHBondContact O-CA 3.15Å; N469-N473 PolarHBondContact O-N 3.1Å
474	E	82.7	Confident	85.3	Confident	87 Å²	87	42.3 Å²	42.3	41%	0.407	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.3	177.7	-65.8	-171.4	173.3	0	0	110.6	R166 N469 T472 T476	R166-E474 IonicContact CZ-OE2 3.93Å; R166-E474 IonicContact NE-OE2 2.71Å; R166-E474 IonicContact NH2-OE2 2.83Å; R166-E474 PolarHBondContact NH2-OE2 3.1Å; N469-E474 PolarHBondContact N-O 3.21Å; N469-E474 PolarHBondContact O-N 2.8Å; T472-E474 PolarHBondContact O-N 3.22Å; T472-E474 PolarHBondContact OG1-N 3.1Å; E474-T476 PolarHBondContact O-N 2.88Å
475	R	84.7	Confident	84.4	Confident	116 Å²	116	43.9 Å²	43.9	44%	0.438	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	111.3	161	-171	178.4	65.6	-174.7	-1.7	108.1	E466 L467 W468	E466-R475 HydrophobicContact CB-CG 4.46Å; E466-R475 WeakPolarHBondContact OE1-CD 3.5Å; E466-R475 IonicContact OE1-CZ 3.74Å; E466-R475 IonicContact OE1-NH1 3.55Å; E466-R475 PolarHBondContact OE1-NH1 3.35Å; L467-R475 CarbonylContact O-C 3.53Å; L467-R475 WeakPolarHBondContact O-CA 3.48Å; W468-R475 HydrophobicContact CD2-CB 3.85Å; W468-R475 HydrophobicContact CD2-CG 4.22Å; W468-R475 HydrophobicContact CE3-CB 3.95Å; W468-R475 HydrophobicContact CH2-CB 3.94Å; W468-R475 HydrophobicContact CZ2-CB 3.83Å; W468-R475 HydrophobicContact CZ2-CG 4.09Å; W468-R475 HydrophobicContact CZ3-CB 4Å
476	T	82.5	Confident	83.6	Confident	14 Å²	14	50.1 Å²	50.1	9%	0.086	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-34.3	-172.7	55.3	0	0	0	0	112.5	P167 L467 N469 E474	P167-T476 HydrophobicContact CG-CG2 3.83Å; P167-T476 PolarHBondContact O-OG1 3.09Å; L467-T476 WeakPolarHBondContact CB-OG1 3.48Å; L467-T476 PolarHBondContact O-N 2.89Å; L467-T476 PolarHBondContact O-OG1 2.83Å; N469-T476 HydrophobicContact CB-CG2 3.56Å; E474-T476 PolarHBondContact O-N 2.88Å
477	H	83	Confident	83	Confident	45 Å²	45	52.9 Å²	52.9	21%	0.208	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	155.4	-175.2	-170.3	62.2	0	0	0	112.6	P167 R168 A169 L467	P167-H477 WeakPolarHBondContact O-CB 3.46Å; R168-H477 HydrophobicContact CG-CB 4.45Å; A169-H477 PolarHBondContact N-CD2 2.98Å; A169-H477 PolarHBondContact N-NE2 2.96Å; A169-H477 PolarHBondContact O-NE2 3.29Å; L467-H477 HydrophobicContact CB-CB 4.37Å; L467-H477 HydrophobicContact CD1-CB 4.35Å; L467-H477 PolarHBondContact N-O 3.27Å
478	C	82.2	Confident	82.4	Confident	39 Å²	39	58.9 Å²	58.9	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.3	169.8	-67.1	0	0	0	0	107.8	I465	I465-C478 WeakPolarHBondContact O-CA 3.4Å
479	A	84	Confident	82	Confident	6 Å²	6	57.8 Å²	57.8	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.1	173.6	0	0	0	0	0	109.3	A169 Q464 I465 Y518	A169-A479 HydrophobicContact CB-CB 3.95Å; Q464-A479 CarbonylContact C-O 3.57Å; Q464-A479 WeakPolarHBondContact CA-O 3.34Å; Q464-A479 WeakPolarHBondContact CB-O 3.29Å; I465-A479 PolarHBondContact N-O 3.2Å; I465-A479 PolarHBondContact O-N 3.32Å; A479-Y518 HydrophobicContact CB-CD1 4.05Å; A479-Y518 HydrophobicContact CB-CE1 3.84Å
480	A	81.7	Confident	81.9	Confident	77 Å²	77	59.2 Å²	59.2	64%	0.636	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.4	173.9	0	0	0	0	0	110.4	Y518	A480-Y518 PolarHBondContact O-OH 2.84Å; A480-Y518 VanDerWaalsContact O-OH 3.1Å
481	V	84	Confident	82	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.03	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-84.6	127.1	170.2	177.1	0	0	0	0	108.3	Y458 H463 I465 G483 I492 Y516	Y458-V481 HydrophobicContact CD2-CG2 4.37Å; Y458-V481 HydrophobicContact CE2-CG2 3.98Å; H463-V481 VanDerWaalsContact CE1-CB 3.48Å; H463-V481 WeakPolarHBondContact CE1-CB 3.42Å; H463-V481 PolarHBondContact CE1-O 2.72Å; H463-V481 VanDerWaalsContact CE1-O 3.26Å; H463-V481 PolarHBondContact ND1-O 2.92Å; H463-V481 PolarHBondContact O-N 2.88Å; H463-V481 VanDerWaalsContact O-N 3.16Å; I465-V481 HydrophobicContact CD1-CG2 4.1Å; I465-V481 HydrophobicContact CG1-CG2 3.88Å; V481-G483 PolarHBondContact O-N 2.81Å; V481-I492 HydrophobicContact CG1-CD1 3.73Å; V481-I492 HydrophobicContact CG1-CG1 4.12Å; V481-I492 HydrophobicContact CG2-CD1 4.21Å; V481-I492 HydrophobicContact CG2-CG1 3.81Å; V481-Y516 HydrophobicContact CG1-CD2 4.34Å; V481-Y516 HydrophobicContact CG1-CE2 3.88Å
482	P	81.6	Confident	82.5	Confident	44 Å²	44	55.6 Å²	55.6	29%	0.286	31%	0.314	S	S	.	.	S	Bend	trans	-65.8	135	179	-16	26.7	0	0	0	111.6	I171 H490 Y516 Y518	I171-P482 HydrophobicContact CD1-CB 4.37Å; I171-P482 HydrophobicContact CD1-CG 3.11Å; P482-H490 PolarHBondContact O-ND1 3.19Å; P482-Y516 HydrophobicContact CB-CD1 4.39Å; P482-Y516 HydrophobicContact CB-CE1 3.8Å; P482-Y516 HydrophobicContact CG-CD1 3.7Å; P482-Y516 HydrophobicContact CG-CE1 3.6Å; P482-Y516 PolarHBondContact O-OH 3.46Å; P482-Y518 WeakPolarHBondContact CD-OH 3.45Å
483	G	76.1	Confident	83.1	Confident	46 Å²	46	53.1 Å²	53.1	47%	0.474	30%	0.296	S	S	.	.	S	Bend	trans	127.3	173.4	-178	0	0	0	0	0	111.6	V481 H490	V481-G483 PolarHBondContact O-N 2.81Å; G483-H490 VanDerWaalsContact CA-CD2 3.47Å; G483-H490 WeakPolarHBondContact CA-CD2 3.36Å
484	D	74.2	Confident	84.1	Confident	95 Å²	95	50.2 Å²	50.2	51%	0.508	28%	0.28	S	S	.	.			trans	-75.6	133	173.2	-167	-16.6	0	0	0	109.9	D486 D487	D484-D486 PolarHBondContact O-N 3.29Å; D484-D486 PolarHBondContact OD1-N 3.31Å; D484-D487 HydrophobicContact CB-CB 4.1Å; D484-D487 PolarHBondContact O-N 2.87Å; D484-D487 VanDerWaalsContact O-N 3.09Å
485	S	73	Confident	84.8	Confident	69 Å²	69	46.1 Å²	46.1	48%	0.483	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.8	175.7	53.2	0	0	0	0	113.1
486	D	75.9	Confident	85.3	Confident	132 Å²	132	41.9 Å²	41.9	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.9	177.1	-71	-20.2	0	0	0	112.9	D484	D484-D486 PolarHBondContact O-N 3.29Å; D484-D486 PolarHBondContact OD1-N 3.31Å
487	D	82.6	Confident	85.9	Confident	61 Å²	61	42.5 Å²	42.5	33%	0.326	25%	0.252	S	S	.	.			trans	-93.5	109.5	177	-174.4	0.3	0	0	0	111.8	D484 D489 H490	D484-D487 HydrophobicContact CB-CB 4.1Å; D484-D487 PolarHBondContact O-N 2.87Å; D484-D487 VanDerWaalsContact O-N 3.09Å; D487-D489 PolarHBondContact O-N 3.18Å; D487-D489 VanDerWaalsContact OD1-CB 3.31Å; D487-D489 WeakPolarHBondContact OD1-CB 3.47Å; D487-D489 PolarHBondContact OD1-N 2.63Å; D487-H490 PolarHBondContact O-N 2.79Å; D487-H490 IonicContact OD2-CD2 2.7Å; D487-H490 IonicContact OD2-NE2 3.83Å
488	F	81.4	Confident	86.5	Confident	127 Å²	127	40.9 Å²	40.9	56%	0.557	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-58.8	-15.3	176.7	-63.5	-79.2	0	0	0	114.2	H490 T491	F488-H490 PolarHBondContact O-N 2.88Å; F488-T491 PolarHBondContact O-N 3.25Å; F488-T491 PolarHBondContact O-OG1 3.29Å
489	D	85.8	Confident	86.9	Confident	13 Å²	13	44 Å²	44	7%	0.07	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-70.5	-17.4	175.7	-70.7	-27.8	0	0	0	113	D487 S511 K512 R513	D487-D489 PolarHBondContact O-N 3.18Å; D487-D489 VanDerWaalsContact OD1-CB 3.31Å; D487-D489 WeakPolarHBondContact OD1-CB 3.47Å; D487-D489 PolarHBondContact OD1-N 2.63Å; D489-S511 WeakPolarHBondContact O-CB 3.25Å; D489-S511 PolarHBondContact O-OG 3.28Å; D489-S511 VanDerWaalsContact O-OG 3.13Å; D489-K512 WeakPolarHBondContact O-CB 3.38Å; D489-K512 PolarHBondContact O-N 2.83Å; D489-K512 VanDerWaalsContact OD1-CD 3.23Å; D489-K512 WeakPolarHBondContact OD1-CD 3.18Å; D489-K512 VanDerWaalsContact OD1-CE 3.3Å; D489-K512 WeakPolarHBondContact OD1-CE 3.21Å; D489-K512 IonicContact OD1-NZ 3.3Å; D489-K512 PolarHBondContact OD1-NZ 3.17Å; D489-R513 HydrophobicContact CB-CG 4.1Å; D489-R513 VanDerWaalsContact CG-NE 3.32Å; D489-R513 IonicContact OD1-NE 3.96Å; D489-R513 IonicContact OD2-CZ 2.87Å; D489-R513 IonicContact OD2-NE 3.61Å; D489-R513 PolarHBondContact OD2-NE 3.3Å; D489-R513 IonicContact OD2-NH2 3.89Å; D489-R513 PolarHBondContact OD2-NH2 2.83Å
490	H	88.1	Confident	87	Confident	38 Å²	38	46.8 Å²	46.8	18%	0.176	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-98.2	-4.9	177	-63.9	-63.3	0	0	0	114.3	H463 P482 G483 D487 F488 I492 Y516	H463-H490 WeakPolarHBondContact NE2-CB 3.36Å; P482-H490 PolarHBondContact O-ND1 3.19Å; G483-H490 VanDerWaalsContact CA-CD2 3.47Å; G483-H490 WeakPolarHBondContact CA-CD2 3.36Å; D487-H490 PolarHBondContact O-N 2.79Å; D487-H490 IonicContact OD2-CD2 2.7Å; D487-H490 IonicContact OD2-NE2 3.83Å; F488-H490 PolarHBondContact O-N 2.88Å; H490-I492 PolarHBondContact O-N 2.91Å; H490-Y516 PolarHBondContact ND1-OH 2.75Å
491	T	92.8	Very high	86.9	Confident	8 Å²	8	48.6 Å²	48.6	5%	0.049	27%	0.273	C	S	.	.			trans	-59.6	129.6	173.7	-53.5	0	0	0	0	111.3	V434 Y458 E460 F488 S511	V434-T491 HydrophobicContact CB-CG2 4.41Å; V434-T491 HydrophobicContact CG1-CG2 3.98Å; V434-T491 HydrophobicContact CG2-CG2 3.54Å; Y458-T491 HydrophobicContact CE1-CG2 3.82Å; E460-T491 HydrophobicContact CG-CG2 4.3Å; F488-T491 PolarHBondContact O-N 3.25Å; F488-T491 PolarHBondContact O-OG1 3.29Å; T491-S511 WeakPolarHBondContact O-CA 3.07Å
492	I	95.1	Very high	86.8	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.			trans	-82.9	125.6	-177.2	-56.1	-55.5	0	0	0	111.6	S436 Y458 V481 H490 L495 A509 L510 Y516	S436-I492 WeakPolarHBondContact CB-O 3.39Å; S436-I492 PolarHBondContact OG-O 3.16Å; Y458-I492 HydrophobicContact CD1-CB 3.87Å; Y458-I492 HydrophobicContact CD2-CB 3.81Å; Y458-I492 HydrophobicContact CD2-CG1 3.74Å; Y458-I492 HydrophobicContact CE1-CB 4.08Å; Y458-I492 HydrophobicContact CE2-CB 4.02Å; Y458-I492 HydrophobicContact CE2-CG1 3.69Å; Y458-I492 HydrophobicContact CG-CB 3.73Å; Y458-I492 HydrophobicContact CG-CG1 4.21Å; Y458-I492 HydrophobicContact CG-CG2 4.46Å; V481-I492 HydrophobicContact CG1-CD1 3.73Å; V481-I492 HydrophobicContact CG1-CG1 4.12Å; V481-I492 HydrophobicContact CG2-CD1 4.21Å; V481-I492 HydrophobicContact CG2-CG1 3.81Å; H490-I492 PolarHBondContact O-N 2.91Å; I492-L495 HydrophobicContact CG2-CD2 3.9Å; I492-L495 HydrophobicContact CG2-CG 4.01Å; I492-A509 HydrophobicContact CD1-CB 3.88Å; I492-A509 HydrophobicContact CG1-CB 4.37Å; I492-A509 HydrophobicContact CG2-CB 4.12Å; I492-L510 CarbonylContact C-O 3.58Å; I492-L510 WeakPolarHBondContact CA-O 3.19Å; I492-Y516 HydrophobicContact CD1-CD2 3.97Å; I492-Y516 HydrophobicContact CD1-CE2 3.99Å
493	Y	96.1	Very high	86.8	Confident	24 Å²	24	54.3 Å²	54.3	9%	0.094	32%	0.318	C	S	.	.			trans	-100.3	-29.5	178.5	-63.8	-58.1	0	0	0	114.2	L183 R184 V434 S436 R437 L510 K512	L183-Y493 VanDerWaalsContact O-CD2 3.31Å; L183-Y493 WeakPolarHBondContact O-CD2 3.4Å; R184-Y493 WeakPolarHBondContact O-CB 3.48Å; V434-Y493 HydrophobicContact CB-CD1 4.01Å; V434-Y493 HydrophobicContact CB-CE1 3.75Å; V434-Y493 HydrophobicContact CG1-CD1 4.36Å; V434-Y493 HydrophobicContact CG1-CE1 3.61Å; V434-Y493 HydrophobicContact CG2-CD1 4.04Å; V434-Y493 HydrophobicContact CG2-CE1 4.08Å; S436-Y493 CarbonylContact C-O 3.52Å; S436-Y493 WeakPolarHBondContact CA-O 3.18Å; R437-Y493 PolarHBondContact N-O 2.91Å; Y493-L510 PolarHBondContact N-O 2.83Å; Y493-K512 HydrophobicContact CE2-CB 3.73Å; Y493-K512 HydrophobicContact CE2-CG 4.26Å
494	D	97.8	Very high	87.2	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.4	-174.9	-151.1	-18.1	0	0	0	110.3	V185 M186 R437 L510	V185-D494 WeakPolarHBondContact CA-OD2 3.28Å; M186-D494 VanDerWaalsContact CE-C 3.46Å; M186-D494 HydrophobicContact CE-CB 3.89Å; M186-D494 VanDerWaalsContact CE-O 3.26Å; M186-D494 WeakPolarHBondContact CE-O 3.39Å; M186-D494 HydrophobicContact CG-CB 4.06Å; M186-D494 PolarHBondContact N-OD2 2.94Å; R437-D494 HydrophobicContact CB-CB 4.46Å; R437-D494 VanDerWaalsContact CB-OD1 3.24Å; R437-D494 WeakPolarHBondContact CB-OD1 3.2Å; R437-D494 WeakPolarHBondContact CD-OD1 3.08Å; R437-D494 WeakPolarHBondContact CD-OD2 3.2Å; R437-D494 IonicContact NH1-OD2 2.82Å; D494-L510 HydrophobicContact CB-CB 3.99Å; D494-L510 HydrophobicContact CB-CD2 4.18Å; D494-L510 PolarHBondContact O-N 3.44Å
495	L	97.7	Very high	88	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.1	175.6	-68.7	171.1	0	0	0	107.9	R437 C439 A456 I465 I492 L507 F508 A509	R437-L495 WeakPolarHBondContact O-CB 3.19Å; R437-L495 PolarHBondContact O-N 2.89Å; C439-L495 WeakPolarHBondContact CB-O 3.06Å; A456-L495 HydrophobicContact CB-CD1 4.33Å; I465-L495 HydrophobicContact CD1-CD2 3.85Å; I465-L495 HydrophobicContact CG1-CD2 4.22Å; I465-L495 HydrophobicContact CG2-CD1 4.3Å; I465-L495 HydrophobicContact CG2-CD2 4.42Å; I492-L495 HydrophobicContact CG2-CD2 3.9Å; I492-L495 HydrophobicContact CG2-CG 4.01Å; L495-L507 HydrophobicContact CD2-CD1 4.44Å; L495-F508 WeakPolarHBondContact CA-O 3.44Å; L495-A509 HydrophobicContact CD2-CB 3.52Å
496	T	96.3	Very high	88.9	Confident	27 Å²	27	46.3 Å²	46.3	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.9	172.6	-166.4	0	0	0	0	109.8	M186 I188 F508	M186-T496 HydrophobicContact CE-CG2 3.6Å; M186-T496 HydrophobicContact CG-CG2 4.3Å; M186-T496 HydrophobicContact SD-CG2 3.84Å; I188-T496 HydrophobicContact CD1-CG2 3.54Å; I188-T496 HydrophobicContact CG1-CG2 4.14Å; T496-F508 HydrophobicContact CG2-CB 4.07Å; T496-F508 PolarHBondContact N-O 2.85Å; T496-F508 VanDerWaalsContact N-O 3.14Å; T496-F508 PolarHBondContact O-N 2.78Å
497	T	95.2	Very high	89.8	Confident	27 Å²	27	40 Å²	40	17%	0.166	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	161.5	175	56.7	0	0	0	0	111.9	F441 L506 L507 L520	F441-T497 HydrophobicContact CB-CG2 3.76Å; F441-T497 WeakPolarHBondContact CB-OG1 3.43Å; F441-T497 HydrophobicContact CD1-CG2 3.56Å; F441-T497 HydrophobicContact CD2-CG2 4.19Å; F441-T497 HydrophobicContact CE1-CG2 4.15Å; F441-T497 HydrophobicContact CG-CG2 3.57Å; T497-L506 CarbonylContact C-O 3.51Å; T497-L506 WeakPolarHBondContact CA-O 3.22Å; T497-L506 WeakPolarHBondContact CB-O 3.49Å; T497-L507 HydrophobicContact CG2-CB 4.38Å; T497-L507 HydrophobicContact CG2-CD1 3.81Å; T497-L520 HydrophobicContact CG2-CD1 4.37Å
498	Y	94.4	Very high	90.5	Very high	11 Å²	11	37.1 Å²	37.1	4%	0.043	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.3	173	176.7	-122.7	0	0	0	109.4	I188 P190 A193 L215 R500 L506	I188-Y498 HydrophobicContact CG2-CD2 3.89Å; I188-Y498 HydrophobicContact CG2-CE2 4.49Å; P190-Y498 HydrophobicContact CB-CE2 4.4Å; A193-Y498 HydrophobicContact CB-CE1 4.4Å; A193-Y498 WeakPolarHBondContact CB-OH 3.49Å; L215-Y498 HydrophobicContact CB-CD1 4.17Å; L215-Y498 HydrophobicContact CB-CE1 3.86Å; L215-Y498 HydrophobicContact CD1-CD1 3.77Å; L215-Y498 HydrophobicContact CD1-CD2 4.08Å; L215-Y498 HydrophobicContact CD1-CE1 3.97Å; L215-Y498 HydrophobicContact CD1-CE2 4.31Å; L215-Y498 HydrophobicContact CD1-CG 3.83Å; Y498-R500 HydrophobicContact CD1-CG 3.93Å; Y498-R500 HydrophobicContact CE1-CB 4.44Å; Y498-R500 HydrophobicContact CE1-CG 3.64Å; Y498-L506 PolarHBondContact N-O 3.08Å; Y498-L506 PolarHBondContact O-N 2.88Å
499	N	91.2	Very high	91.2	Very high	104 Å²	104	31.1 Å²	31.1	56%	0.556	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.2	173.8	-62	-29	0	0	0	108.1	Q505	N499-Q505 VanDerWaalsContact OD1-CD 3.26Å; N499-Q505 WeakPolarHBondContact OD1-CG 3.33Å; N499-Q505 PolarHBondContact OD1-NE2 2.84Å
500	R	85.4	Confident	91.7	Very high	65 Å²	65	30.5 Å²	30.5	25%	0.245	18%	0.181	C	C	.	.			trans	-72.6	151.2	174.2	-70.2	173.1	57.8	110.9	-0.8	110.2	L215 Y498 D502 G503 C504 L506	L215-R500 PolarHBondContact O-NH1 2.96Å; Y498-R500 HydrophobicContact CD1-CG 3.93Å; Y498-R500 HydrophobicContact CE1-CB 4.44Å; Y498-R500 HydrophobicContact CE1-CG 3.64Å; R500-D502 WeakPolarHBondContact CB-OD1 3.08Å; R500-D502 IonicContact CZ-OD2 2.69Å; R500-D502 VanDerWaalsContact CZ-OD2 3.3Å; R500-D502 IonicContact NE-OD1 3.69Å; R500-D502 IonicContact NE-OD2 3.78Å; R500-D502 PolarHBondContact NE-OD2 3.36Å; R500-D502 IonicContact NH2-OD2 3.31Å; R500-D502 PolarHBondContact NH2-OD2 2.8Å; R500-D502 PolarHBondContact O-N 2.92Å; R500-D502 VanDerWaalsContact O-N 3.12Å; R500-G503 PolarHBondContact O-N 3.36Å; R500-C504 VanDerWaalsContact CB-O 3.24Å; R500-C504 WeakPolarHBondContact CB-O 3.45Å; R500-C504 PolarHBondContact N-O 3.26Å; R500-L506 HydrophobicContact CG-CD1 4.41Å
501	P	79.4	Confident	91.9	Very high	114 Å²	114	28.7 Å²	28.7	74%	0.74	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.9	174.3	-25.1	34.4	0	0	0	114.3	G503	P501-G503 PolarHBondContact O-N 2.94Å
502	D	81.7	Confident	91.9	Very high	98 Å²	98	31.2 Å²	31.2	52%	0.524	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.9	176.5	60.3	21.9	0	0	0	113.8	R500 C504	R500-D502 WeakPolarHBondContact CB-OD1 3.08Å; R500-D502 IonicContact CZ-OD2 2.69Å; R500-D502 VanDerWaalsContact CZ-OD2 3.3Å; R500-D502 IonicContact NE-OD1 3.69Å; R500-D502 IonicContact NE-OD2 3.78Å; R500-D502 PolarHBondContact NE-OD2 3.36Å; R500-D502 IonicContact NH2-OD2 3.31Å; R500-D502 PolarHBondContact NH2-OD2 2.8Å; R500-D502 PolarHBondContact O-N 2.92Å; R500-D502 VanDerWaalsContact O-N 3.12Å; D502-C504 VanDerWaalsContact C-N 3.3Å; D502-C504 WeakPolarHBondContact OD1-CB 3.34Å; D502-C504 PolarHBondContact OD1-N 3.04Å
503	G	81.6	Confident	91.5	Very high	71 Å²	71	37.5 Å²	37.5	73%	0.732	21%	0.207	S	C	*	.	S	Bend	trans	86.1	-5.8	-178.4	0	0	0	0	0	114.1	R500 P501	R500-G503 PolarHBondContact O-N 3.36Å; P501-G503 PolarHBondContact O-N 2.94Å
504	C	84.6	Confident	91.3	Very high	25 Å²	25	37 Å²	37	17%	0.169	21%	0.207	C	C	.	.			trans	-77.1	127	174.8	-175.2	0	0	0	0	110.6	R172 R500 D502	R172-C504 VanDerWaalsContact CZ-SG 3.52Å; R172-C504 PolarHBondContact NH1-SG 3.43Å; R172-C504 PolarHBondContact NH2-SG 3.33Å; R500-C504 VanDerWaalsContact CB-O 3.24Å; R500-C504 WeakPolarHBondContact CB-O 3.45Å; R500-C504 PolarHBondContact N-O 3.26Å; D502-C504 VanDerWaalsContact C-N 3.3Å; D502-C504 WeakPolarHBondContact OD1-CB 3.34Å; D502-C504 PolarHBondContact OD1-N 3.04Å
505	Q	90.8	Very high	91.1	Very high	13 Å²	13	36.8 Å²	36.8	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.6	174.6	-168.8	174.9	40	0	0	110.6	R442 Y443 N499 L520	R442-Q505 PolarHBondContact O-NE2 2.88Å; R442-Q505 PolarHBondContact O-OE1 3.08Å; Y443-Q505 VanDerWaalsContact CD2-OE1 3.28Å; N499-Q505 VanDerWaalsContact OD1-CD 3.26Å; N499-Q505 WeakPolarHBondContact OD1-CG 3.33Å; N499-Q505 PolarHBondContact OD1-NE2 2.84Å; Q505-L520 HydrophobicContact CB-CB 4.19Å; Q505-L520 HydrophobicContact CB-CD1 4.36Å; Q505-L520 HydrophobicContact CG-CD1 3.79Å; Q505-L520 PolarHBondContact O-N 3.29Å
506	L	93.1	Very high	90.9	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.7	176	-61.3	-179.1	0	0	0	110.3	M218 T497 Y498 R500 F508 Y518	M218-L506 HydrophobicContact SD-CD1 4.34Å; T497-L506 CarbonylContact C-O 3.51Å; T497-L506 WeakPolarHBondContact CA-O 3.22Å; T497-L506 WeakPolarHBondContact CB-O 3.49Å; Y498-L506 PolarHBondContact N-O 3.08Å; Y498-L506 PolarHBondContact O-N 2.88Å; R500-L506 HydrophobicContact CG-CD1 4.41Å; L506-F508 HydrophobicContact CB-CD2 4.49Å; L506-F508 HydrophobicContact CB-CE2 3.91Å; L506-F508 HydrophobicContact CB-CZ 4.21Å; L506-F508 HydrophobicContact CD1-CE2 4.28Å; L506-F508 HydrophobicContact CD1-CZ 3.89Å; L506-Y518 CarbonylContact C-O 3.56Å; L506-Y518 VanDerWaalsContact CA-O 3.29Å; L506-Y518 WeakPolarHBondContact CA-O 3.34Å
507	L	95.1	Very high	90.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.1	164.5	172	70.1	0	0	0	108.7	A456 I465 L467 L495 T497 S517 Y518 L520	A456-L507 HydrophobicContact CB-CD1 3.89Å; A456-L507 HydrophobicContact CB-CD2 4.19Å; I465-L507 HydrophobicContact CG2-CD2 4.03Å; L467-L507 HydrophobicContact CD2-CD2 4.1Å; L495-L507 HydrophobicContact CD2-CD1 4.44Å; T497-L507 HydrophobicContact CG2-CB 4.38Å; T497-L507 HydrophobicContact CG2-CD1 3.81Å; L507-S517 CarbonylContact O-C 3.48Å; L507-S517 WeakPolarHBondContact O-CA 3.45Å; L507-Y518 PolarHBondContact N-O 3.33Å; L507-Y518 PolarHBondContact O-N 2.97Å; L507-L520 HydrophobicContact CB-CD1 4.2Å; L507-L520 HydrophobicContact CB-CD2 3.88Å; L507-L520 HydrophobicContact CB-CG 4.08Å; L507-L520 HydrophobicContact CD2-CD2 4.41Å
508	F	96.2	Very high	90.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.1	175.4	-71.8	-76.9	0	0	0	110.4	M186 I188 L215 M218 L495 T496 L506 L515 Y516	M186-F508 HydrophobicContact CE-CB 4.04Å; M186-F508 HydrophobicContact SD-CB 4.17Å; I188-F508 HydrophobicContact CD1-CD2 3.89Å; I188-F508 HydrophobicContact CD1-CE2 4.18Å; L215-F508 HydrophobicContact CD2-CE1 4.22Å; L215-F508 HydrophobicContact CD2-CE2 4.09Å; L215-F508 HydrophobicContact CD2-CZ 3.62Å; M218-F508 HydrophobicContact CE-CE1 3.58Å; M218-F508 HydrophobicContact CE-CZ 3.9Å; M218-F508 HydrophobicContact SD-CE1 4.31Å; M218-F508 HydrophobicContact SD-CZ 4.11Å; L495-F508 WeakPolarHBondContact CA-O 3.44Å; T496-F508 HydrophobicContact CG2-CB 4.07Å; T496-F508 PolarHBondContact N-O 2.85Å; T496-F508 VanDerWaalsContact N-O 3.14Å; T496-F508 PolarHBondContact O-N 2.78Å; L506-F508 HydrophobicContact CB-CD2 4.49Å; L506-F508 HydrophobicContact CB-CE2 3.91Å; L506-F508 HydrophobicContact CB-CZ 4.21Å; L506-F508 HydrophobicContact CD1-CE2 4.28Å; L506-F508 HydrophobicContact CD1-CZ 3.89Å; F508-L515 HydrophobicContact CB-CD1 4.15Å; F508-L515 HydrophobicContact CD1-CD1 4.04Å; F508-L515 HydrophobicContact CD1-CD2 3.83Å; F508-L515 HydrophobicContact CD1-CG 3.95Å; F508-L515 HydrophobicContact CE1-CD2 4.07Å; F508-L515 HydrophobicContact CG-CD1 4.48Å; F508-Y516 CarbonylContact C-O 3.55Å; F508-Y516 VanDerWaalsContact CA-O 3.28Å; F508-Y516 WeakPolarHBondContact CA-O 3.16Å
509	A	96.4	Very high	90.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.2	173.5	0	0	0	0	0	110.3	I465 I492 L495 Y516 Y518	I465-A509 HydrophobicContact CD1-CB 3.55Å; I492-A509 HydrophobicContact CD1-CB 3.88Å; I492-A509 HydrophobicContact CG1-CB 4.37Å; I492-A509 HydrophobicContact CG2-CB 4.12Å; L495-A509 HydrophobicContact CD2-CB 3.52Å; A509-Y516 HydrophobicContact CB-CD2 4.38Å; A509-Y516 PolarHBondContact N-O 2.72Å; A509-Y516 WeakPolarHBondContact O-CD2 3.41Å; A509-Y516 PolarHBondContact O-N 2.99Å; A509-Y518 HydrophobicContact CB-CE2 4.01Å
510	L	95.7	Very high	90.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.8	-177.1	-168.7	73.4	0	0	0	109.8	L183 M186 S197 I492 Y493 D494 L515	L183-L510 HydrophobicContact CB-CD1 3.97Å; L183-L510 HydrophobicContact CB-CD2 4.27Å; L183-L510 HydrophobicContact CB-CG 4.04Å; L183-L510 HydrophobicContact CD1-CD1 3.86Å; L183-L510 HydrophobicContact CG-CD1 4.45Å; M186-L510 HydrophobicContact CB-CD2 4.17Å; M186-L510 HydrophobicContact CE-CB 3.97Å; M186-L510 HydrophobicContact CG-CD2 4.25Å; M186-L510 HydrophobicContact SD-CB 3.99Å; S197-L510 WeakPolarHBondContact OG-CD1 3.21Å; S197-L510 WeakPolarHBondContact OG-CD2 3.24Å; I492-L510 CarbonylContact C-O 3.58Å; I492-L510 WeakPolarHBondContact CA-O 3.19Å; Y493-L510 PolarHBondContact N-O 2.83Å; D494-L510 HydrophobicContact CB-CB 3.99Å; D494-L510 HydrophobicContact CB-CD2 4.18Å; D494-L510 PolarHBondContact O-N 3.44Å; L510-L515 HydrophobicContact CB-CD1 4.46Å; L510-L515 HydrophobicContact CD1-CB 4.3Å; L510-L515 HydrophobicContact CD1-CD1 3.82Å
511	S	94.2	Very high	89.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.			trans	-93.3	-170.3	167.7	78.7	0	0	0	0	111	L183 D489 T491 R513 C514	L183-S511 VanDerWaalsContact CB-O 3.23Å; L183-S511 WeakPolarHBondContact CB-O 3.3Å; D489-S511 WeakPolarHBondContact O-CB 3.25Å; D489-S511 PolarHBondContact O-OG 3.28Å; D489-S511 VanDerWaalsContact O-OG 3.13Å; T491-S511 WeakPolarHBondContact O-CA 3.07Å; S511-R513 VanDerWaalsContact C-N 3.27Å; S511-R513 PolarHBondContact O-N 2.92Å; S511-R513 PolarHBondContact OG-N 3.4Å; S511-C514 PolarHBondContact N-O 3.08Å; S511-C514 PolarHBondContact OG-N 3.42Å; S511-C514 PolarHBondContact OG-O 3.2Å
512	K	91.2	Very high	90.2	Very high	61 Å²	61	25.4 Å²	25.4	27%	0.265	14%	0.142	S	C	.	.	S	Bend	trans	-67.1	-27.5	177.2	-165.2	167	147.9	-148.3	0	113.5	E182 L183 D489 Y493	E182-K512 PolarHBondContact N-O 2.89Å; L183-K512 PolarHBondContact N-O 3.43Å; D489-K512 WeakPolarHBondContact O-CB 3.38Å; D489-K512 PolarHBondContact O-N 2.83Å; D489-K512 VanDerWaalsContact OD1-CD 3.23Å; D489-K512 WeakPolarHBondContact OD1-CD 3.18Å; D489-K512 VanDerWaalsContact OD1-CE 3.3Å; D489-K512 WeakPolarHBondContact OD1-CE 3.21Å; D489-K512 IonicContact OD1-NZ 3.3Å; D489-K512 PolarHBondContact OD1-NZ 3.17Å; Y493-K512 HydrophobicContact CE2-CB 3.73Å; Y493-K512 HydrophobicContact CE2-CG 4.26Å
513	R	88.2	Confident	90.7	Very high	133 Å²	133	21.6 Å²	21.6	50%	0.502	12%	0.121	S	C	.	.	S	Bend	trans	-125.1	-22.4	-172.2	-66.4	-167.6	-176.2	-163.7	8.9	114.3	D489 S511	D489-R513 HydrophobicContact CB-CG 4.1Å; D489-R513 VanDerWaalsContact CG-NE 3.32Å; D489-R513 IonicContact OD1-NE 3.96Å; D489-R513 IonicContact OD2-CZ 2.87Å; D489-R513 IonicContact OD2-NE 3.61Å; D489-R513 PolarHBondContact OD2-NE 3.3Å; D489-R513 IonicContact OD2-NH2 3.89Å; D489-R513 PolarHBondContact OD2-NH2 2.83Å; S511-R513 VanDerWaalsContact C-N 3.27Å; S511-R513 PolarHBondContact O-N 2.92Å; S511-R513 PolarHBondContact OG-N 3.4Å
514	C	90.7	Very high	91.2	Very high	14 Å²	14	18.8 Å²	18.8	10%	0.095	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.7	-170.2	-60.8	0	0	0	0	110.8	T174 S511 Y516	T174-C514 HydrophobicContact CG2-CB 3.99Å; S511-C514 PolarHBondContact N-O 3.08Å; S511-C514 PolarHBondContact OG-N 3.42Å; S511-C514 PolarHBondContact OG-O 3.2Å; C514-Y516 HydrophobicContact CB-CE1 3.95Å; C514-Y516 HydrophobicContact CB-CE2 3.98Å
515	L	93.1	Very high	91.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.9	160.6	178.3	83	0	0	0	107.8	I175 M186 M195 F508 L510	I175-L515 HydrophobicContact CB-CB 4.29Å; I175-L515 HydrophobicContact CB-CD2 4.36Å; I175-L515 HydrophobicContact CD1-CD2 3.91Å; I175-L515 PolarHBondContact N-O 2.86Å; I175-L515 PolarHBondContact O-N 2.86Å; M186-L515 HydrophobicContact SD-CD1 3.77Å; M195-L515 HydrophobicContact CE-CD1 3.83Å; M195-L515 HydrophobicContact CE-CD2 3.13Å; M195-L515 HydrophobicContact CE-CG 4.05Å; M195-L515 HydrophobicContact SD-CD1 3.79Å; M195-L515 HydrophobicContact SD-CD2 3.85Å; M195-L515 HydrophobicContact SD-CG 4.46Å; F508-L515 HydrophobicContact CB-CD1 4.15Å; F508-L515 HydrophobicContact CD1-CD1 4.04Å; F508-L515 HydrophobicContact CD1-CD2 3.83Å; F508-L515 HydrophobicContact CD1-CG 3.95Å; F508-L515 HydrophobicContact CE1-CD2 4.07Å; F508-L515 HydrophobicContact CG-CD1 4.48Å; L510-L515 HydrophobicContact CB-CD1 4.46Å; L510-L515 HydrophobicContact CD1-CB 4.3Å; L510-L515 HydrophobicContact CD1-CD1 3.82Å
516	Y	93.8	Very high	91.6	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.012	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.3	173.2	-52.9	-74.6	0	0	0	109.5	I171 T174 V481 P482 H490 I492 F508 A509 C514	I171-Y516 HydrophobicContact CD1-CD1 4.22Å; T174-Y516 HydrophobicContact CG2-CD1 3.79Å; T174-Y516 HydrophobicContact CG2-CE1 3.67Å; T174-Y516 WeakPolarHBondContact OG1-CD1 3.37Å; V481-Y516 HydrophobicContact CG1-CD2 4.34Å; V481-Y516 HydrophobicContact CG1-CE2 3.88Å; P482-Y516 HydrophobicContact CB-CD1 4.39Å; P482-Y516 HydrophobicContact CB-CE1 3.8Å; P482-Y516 HydrophobicContact CG-CD1 3.7Å; P482-Y516 HydrophobicContact CG-CE1 3.6Å; P482-Y516 PolarHBondContact O-OH 3.46Å; H490-Y516 PolarHBondContact ND1-OH 2.75Å; I492-Y516 HydrophobicContact CD1-CD2 3.97Å; I492-Y516 HydrophobicContact CD1-CE2 3.99Å; F508-Y516 CarbonylContact C-O 3.55Å; F508-Y516 VanDerWaalsContact CA-O 3.28Å; F508-Y516 WeakPolarHBondContact CA-O 3.16Å; A509-Y516 HydrophobicContact CB-CD2 4.38Å; A509-Y516 PolarHBondContact N-O 2.72Å; A509-Y516 WeakPolarHBondContact O-CD2 3.41Å; A509-Y516 PolarHBondContact O-N 2.99Å; C514-Y516 HydrophobicContact CB-CE1 3.95Å; C514-Y516 HydrophobicContact CB-CE2 3.98Å
517	S	93.4	Very high	91.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.9	169.1	63.5	0	0	0	0	109.9	R172 E173 M218 L507	R172-S517 PolarHBondContact N-O 2.93Å; E173-S517 WeakPolarHBondContact CB-OG 3.23Å; E173-S517 PolarHBondContact N-O 2.88Å; E173-S517 PolarHBondContact N-OG 3.34Å; E173-S517 VanDerWaalsContact N-OG 3.12Å; E173-S517 PolarHBondContact O-N 3.45Å; E173-S517 PolarHBondContact O-OG 2.98Å; E173-S517 VanDerWaalsContact O-OG 3.05Å; M218-S517 WeakPolarHBondContact CE-OG 3.22Å; L507-S517 CarbonylContact O-C 3.48Å; L507-S517 WeakPolarHBondContact O-CA 3.45Å
518	Y	92.4	Very high	91.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.7	176.1	-60.7	-100	0	0	0	108.4	A169 E170 I171 I465 A479 A480 P482 L506 L507 A509	A169-Y518 HydrophobicContact CB-CD1 4.28Å; A169-Y518 HydrophobicContact CB-CG 4.41Å; E170-Y518 CarbonylContact O-C 3.48Å; E170-Y518 WeakPolarHBondContact O-CA 3.35Å; I171-Y518 HydrophobicContact CB-CD1 4.03Å; I171-Y518 HydrophobicContact CB-CE1 3.96Å; I171-Y518 HydrophobicContact CG1-CE1 4.48Å; I465-Y518 HydrophobicContact CD1-CD2 4.38Å; I465-Y518 HydrophobicContact CD1-CE2 3.68Å; A479-Y518 HydrophobicContact CB-CD1 4.05Å; A479-Y518 HydrophobicContact CB-CE1 3.84Å; A480-Y518 PolarHBondContact O-OH 2.84Å; A480-Y518 VanDerWaalsContact O-OH 3.1Å; P482-Y518 WeakPolarHBondContact CD-OH 3.45Å; L506-Y518 CarbonylContact C-O 3.56Å; L506-Y518 VanDerWaalsContact CA-O 3.29Å; L506-Y518 WeakPolarHBondContact CA-O 3.34Å; L507-Y518 PolarHBondContact N-O 3.33Å; L507-Y518 PolarHBondContact O-N 2.97Å; A509-Y518 HydrophobicContact CB-CE2 4.01Å
519	G	89.4	Confident	90.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.4	165.9	0	0	0	0	0	109.2	A169 E170	A169-G519 WeakPolarHBondContact CA-O 3.48Å; E170-G519 PolarHBondContact N-O 3.03Å; E170-G519 PolarHBondContact O-N 3.04Å
520	L	86	Confident	90.4	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.047	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.3	169.5	-60.2	-176.2	0	0	0	108.7	R168 A169 F441 Y443 L467 T497 Q505 L507	R168-L520 CarbonylContact O-C 3.5Å; R168-L520 VanDerWaalsContact O-CA 3.31Å; R168-L520 WeakPolarHBondContact O-CA 3.31Å; A169-L520 HydrophobicContact CB-CD2 3.77Å; F441-L520 HydrophobicContact CD2-CD1 3.98Å; F441-L520 HydrophobicContact CE1-CD1 4.49Å; F441-L520 HydrophobicContact CE2-CD1 3.35Å; F441-L520 HydrophobicContact CZ-CD1 3.64Å; Y443-L520 HydrophobicContact CD2-CB 4.33Å; Y443-L520 HydrophobicContact CE2-CB 4Å; L467-L520 HydrophobicContact CD1-CD2 4.03Å; T497-L520 HydrophobicContact CG2-CD1 4.37Å; Q505-L520 HydrophobicContact CB-CB 4.19Å; Q505-L520 HydrophobicContact CB-CD1 4.36Å; Q505-L520 HydrophobicContact CG-CD1 3.79Å; Q505-L520 PolarHBondContact O-N 3.29Å; L507-L520 HydrophobicContact CB-CD1 4.2Å; L507-L520 HydrophobicContact CB-CD2 3.88Å; L507-L520 HydrophobicContact CB-CG 4.08Å; L507-L520 HydrophobicContact CD2-CD2 4.41Å
521	L	77	Confident	89.9	Confident	70 Å²	70	26.9 Å²	26.9	37%	0.366	12%	0.12	S	C	.	.			trans	-120.7	0	-174.1	-62.1	176.1	0	0	0	111.4	P167 R168 E170 Y443 Q446	P167-L521 CarbonylContact C-O 3.58Å; P167-L521 WeakPolarHBondContact CA-O 2.76Å; R168-L521 PolarHBondContact N-O 3.46Å; R168-L521 PolarHBondContact O-N 2.73Å; E170-L521 HydrophobicContact CB-CD1 4.33Å; E170-L521 VanDerWaalsContact CD-CD1 3.43Å; E170-L521 HydrophobicContact CG-CD1 3.93Å; E170-L521 WeakPolarHBondContact OE2-CD1 3.41Å; Y443-L521 PolarHBondContact OH-O 3.39Å; Y443-L521 PolarHBondContact OH-OXT 2.81Å; Q446-L521 PolarHBondContact NE2-OXT 3Å

Retrieved 521 of 521 residues in 129.9 ms (Link to these results)

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