A0A077ZCL9_TRITR Loading...

Kazal 2 and EF-hand 5 and Ig 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 626 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	38	Very low	52.2	Low	237 Å²	237	130.5 Å²	130.5	100%	1.167	69%	0.692	S	S	*	*				0	103.6	0	-89.1	172.7	149.7	0	0	108.1	R3	M1-R3 PolarHBondContact O-N 2.72Å
2	C	37	Very low	51.7	Low	129 Å²	129	138.8 Å²	138.8	87%	0.872	71%	0.707	S	S	*	*			trans	-65.2	116.4	174	-72.9	0	0	0	0	108.9	C4	C2-C4 PolarHBondContact O-N 3.43Å
3	R	51.3	Low	50.8	Low	222 Å²	222	134.2 Å²	134.2	84%	0.838	69%	0.689	S	S	*	*			trans	-85	17.1	176.5	-79.1	-170.2	-177.3	-173.8	2.5	113.1	M1 K5	M1-R3 PolarHBondContact O-N 2.72Å; R3-K5 VanDerWaalsContact C-N 3.28Å; R3-K5 PolarHBondContact O-N 3.27Å
4	C	49.1	Very low	49.9	Very low	82 Å²	82	136.6 Å²	136.6	55%	0.554	70%	0.696	S	S	*	*			trans	-73.9	83.4	176.7	-50.2	0	0	0	0	110	C2 C614	C2-C4 PolarHBondContact O-N 3.43Å; C4-C614 WeakPolarHBondContact CA-SG 3.27Å; C4-C614 HydrophobicContact CB-CB 4.22Å; C4-C614 WeakPolarHBondContact CB-SG 3.32Å; C4-C614 WeakPolarHBondContact SG-CB 3.03Å; C4-C614 CovalentContact SG-SG 2.05Å; C4-C614 PolarHBondContact SG-SG 3.19Å
5	K	58.7	Low	49	Very low	181 Å²	181	133.5 Å²	133.5	79%	0.787	68%	0.678	S	S	*	*			trans	-92	163.2	161.4	-78.1	-173.6	176.5	-177.7	0	109.2	R3 I7	R3-K5 VanDerWaalsContact C-N 3.28Å; R3-K5 PolarHBondContact O-N 3.27Å; K5-I7 WeakPolarHBondContact O-CG1 3.42Å; K5-I7 PolarHBondContact O-N 2.88Å
6	S	59.1	Low	47.9	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	69%	0.69	S	S	*	*			trans	-55.7	127.8	169.5	-169.8	0	0	0	0	109.6
7	I	59.7	Low	47.4	Very low	66 Å²	66	127.4 Å²	127.4	34%	0.338	66%	0.664	S	S	.	*			trans	-116.7	127.7	-178.2	-64.5	154.9	0	0	0	107.8	K5 I9 F612	K5-I7 WeakPolarHBondContact O-CG1 3.42Å; K5-I7 PolarHBondContact O-N 2.88Å; I7-I9 HydrophobicContact CG2-CG1 3.97Å; I7-F612 HydrophobicContact CD1-CB 3.96Å; I7-F612 HydrophobicContact CD1-CD1 3.38Å; I7-F612 HydrophobicContact CD1-CD2 4.09Å; I7-F612 HydrophobicContact CD1-CE1 3.82Å; I7-F612 HydrophobicContact CD1-CE2 4.48Å; I7-F612 HydrophobicContact CD1-CG 3.53Å; I7-F612 HydrophobicContact CD1-CZ 4.36Å; I7-F612 HydrophobicContact CG1-CD1 4.13Å; I7-F612 HydrophobicContact CG1-CE1 4.15Å; I7-F612 HydrophobicContact CG2-CE1 4.24Å; I7-F612 HydrophobicContact CG2-CZ 4.05Å
8	V	60.4	Low	46.9	Very low	110 Å²	110	123.6 Å²	123.6	67%	0.667	66%	0.661	S	S	*	*			trans	-89.6	117.9	168.7	-179.7	0	0	0	0	107
9	I	58.7	Low	46.7	Very low	68 Å²	68	122.2 Å²	122.2	35%	0.349	66%	0.662	S	S	.	*			trans	-101.2	114.2	175.6	-55.2	170.9	0	0	0	106.9	I7 L593 I607 L609	I7-I9 HydrophobicContact CG2-CG1 3.97Å; I9-L593 HydrophobicContact CD1-CD1 4.11Å; I9-I607 HydrophobicContact CD1-CG2 4.26Å; I9-I607 HydrophobicContact CG2-CD1 4.13Å; I9-I607 HydrophobicContact CG2-CG2 4.25Å; I9-L609 HydrophobicContact CD1-CD2 3.86Å
10	E	55.9	Low	46.8	Very low	131 Å²	131	123 Å²	123	61%	0.612	67%	0.666	S	S	*	*			trans	-75.1	132.1	176.2	-67.9	-173.8	176.8	0	0	110	W12 V13	E10-W12 PolarHBondContact O-N 3.01Å; E10-V13 HydrophobicContact CB-CG2 3.92Å; E10-V13 PolarHBondContact O-N 3.16Å
11	P	46.3	Very low	46.5	Very low	83 Å²	83	118.1 Å²	118.1	54%	0.539	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.5	-10.1	-176.3	-22.6	31.7	0	0	0	115.4
12	W	45.8	Very low	46.9	Very low	230 Å²	230	113 Å²	113	87%	0.871	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	2.6	-173.2	-58	98.3	0	0	0	113.8	E10 E14	E10-W12 PolarHBondContact O-N 3.01Å; W12-E14 PolarHBondContact O-N 3.38Å
13	V	40.6	Very low	47.8	Very low	78 Å²	78	112.7 Å²	112.7	47%	0.473	60%	0.598	S	S	.	*			trans	-72.9	96.5	174.4	-169.1	0	0	0	0	108.5	E10 E15	E10-V13 HydrophobicContact CB-CG2 3.92Å; E10-V13 PolarHBondContact O-N 3.16Å; V13-E15 HydrophobicContact CG1-CB 4.21Å; V13-E15 HydrophobicContact CG1-CG 3.73Å; V13-E15 PolarHBondContact O-N 2.87Å
14	E	37.8	Very low	47.8	Very low	169 Å²	169	106.2 Å²	106.2	79%	0.79	58%	0.58	S	S	*	*			trans	-66.9	73.5	157.6	-70	-170.5	164.7	0	0	108.4	W12 A16	W12-E14 PolarHBondContact O-N 3.38Å; E14-A16 PolarHBondContact O-N 2.87Å; E14-A16 VanDerWaalsContact O-N 3.15Å
15	E	36.6	Very low	48	Very low	90 Å²	90	103 Å²	103	42%	0.421	56%	0.557	S	S	.	*			trans	-70.3	108.8	165.2	-103.1	176.7	-161.8	0	0	107.3	V13 F17	V13-E15 HydrophobicContact CG1-CB 4.21Å; V13-E15 HydrophobicContact CG1-CG 3.73Å; V13-E15 PolarHBondContact O-N 2.87Å; E15-F17 HydrophobicContact CB-CZ 4.48Å; E15-F17 WeakPolarHBondContact O-CD2 3.3Å; E15-F17 WeakPolarHBondContact O-CE2 3.35Å; E15-F17 WeakPolarHBondContact O-CG 3.22Å; E15-F17 VanDerWaalsContact O-CZ 3.32Å; E15-F17 WeakPolarHBondContact O-CZ 3.47Å; E15-F17 PolarHBondContact O-N 2.9Å; E15-F17 VanDerWaalsContact O-N 3.1Å
16	A	32.3	Very low	48.2	Very low	106 Å²	106	95.9 Å²	95.9	88%	0.876	53%	0.53	S	S	*	.			trans	-53.2	114	178.4	0	0	0	0	0	110.5	E14	E14-A16 PolarHBondContact O-N 2.87Å; E14-A16 VanDerWaalsContact O-N 3.15Å
17	F	38.1	Very low	48.3	Very low	56 Å²	56	97.8 Å²	97.8	25%	0.246	52%	0.518	C	S	.	.			trans	-87.6	132.6	-174.2	-61.5	-73.4	0	0	0	111.2	E15 L21 R606	E15-F17 HydrophobicContact CB-CZ 4.48Å; E15-F17 WeakPolarHBondContact O-CD2 3.3Å; E15-F17 WeakPolarHBondContact O-CE2 3.35Å; E15-F17 WeakPolarHBondContact O-CG 3.22Å; E15-F17 VanDerWaalsContact O-CZ 3.32Å; E15-F17 WeakPolarHBondContact O-CZ 3.47Å; E15-F17 PolarHBondContact O-N 2.9Å; E15-F17 VanDerWaalsContact O-N 3.1Å; F17-L21 HydrophobicContact CB-CB 4.35Å; F17-L21 HydrophobicContact CB-CD2 3.63Å; F17-L21 HydrophobicContact CD1-CD2 4.42Å; F17-L21 HydrophobicContact CD2-CD2 4.01Å; F17-L21 HydrophobicContact CG-CD2 3.76Å; F17-R606 VanDerWaalsContact CE1-O 3.27Å; F17-R606 WeakPolarHBondContact CE1-O 3.34Å; F17-R606 WeakPolarHBondContact CZ-O 3.46Å
18	G	39.1	Very low	47.9	Very low	59 Å²	59	99.7 Å²	99.7	61%	0.608	53%	0.533	S	S	*	.			trans	-65.7	170.1	178.6	0	0	0	0	0	114.2	D20 L21	G18-D20 PolarHBondContact O-N 3.13Å; G18-L21 PolarHBondContact O-N 2.93Å
19	S	43.2	Very low	47.7	Very low	98 Å²	98	96.6 Å²	96.6	69%	0.685	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.9	-170.4	49.5	0	0	0	0	116.5	L21	S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 2.83Å
20	D	48.1	Very low	48.2	Very low	137 Å²	137	100.2 Å²	100.2	73%	0.733	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.1	-177	-66.7	-18.9	0	0	0	113.6	G18	G18-D20 PolarHBondContact O-N 3.13Å
21	L	42	Very low	49.2	Very low	21 Å²	21	96 Å²	96	11%	0.11	52%	0.524	C	S	.	.	H	α-helix	trans	-77.6	-26.3	180	-164.9	74.8	0	0	0	113.2	F17 G18 S19 E23 D24 L25 R606	F17-L21 HydrophobicContact CB-CB 4.35Å; F17-L21 HydrophobicContact CB-CD2 3.63Å; F17-L21 HydrophobicContact CD1-CD2 4.42Å; F17-L21 HydrophobicContact CD2-CD2 4.01Å; F17-L21 HydrophobicContact CG-CD2 3.76Å; G18-L21 PolarHBondContact O-N 2.93Å; S19-L21 VanDerWaalsContact C-N 3.33Å; S19-L21 PolarHBondContact O-N 2.83Å; L21-E23 PolarHBondContact O-N 3.41Å; L21-D24 PolarHBondContact O-N 2.95Å; L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CG-CD1 3.72Å; L21-L25 HydrophobicContact CG-CG 4.05Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-L25 VanDerWaalsContact O-N 3.16Å; L21-R606 HydrophobicContact CD1-CB 4.21Å
22	E	45.7	Very low	50.8	Low	129 Å²	129	97.7 Å²	97.7	60%	0.603	52%	0.523	S	S	*	.	H	α-helix	trans	-57.7	-38.8	178.6	-89.3	-175.2	167.9	0	0	111.8	L39	E22-L39 HydrophobicContact CB-CD1 4.36Å; E22-L39 HydrophobicContact CG-CD1 3.8Å
23	E	54.7	Low	52.5	Low	124 Å²	124	90 Å²	90	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-72.2	-42.3	179	-70.7	-162.5	176.5	0	0	112.4	L21 R27	L21-E23 PolarHBondContact O-N 3.41Å; E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CD 3.25Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 3.09Å; E23-R27 VanDerWaalsContact O-N 3.11Å; E23-R27 IonicContact OE2-CZ 2.86Å; E23-R27 IonicContact OE2-NH2 3.67Å; E23-R27 PolarHBondContact OE2-NH2 2.83Å
24	D	52.4	Low	54.6	Low	86 Å²	86	86.6 Å²	86.6	46%	0.46	49%	0.489	S	S	.	.	H	α-helix	trans	-77.8	-35.3	-171.6	-85.4	-12.7	0	0	0	114	L21 R27	L21-D24 PolarHBondContact O-N 2.95Å; D24-R27 PolarHBondContact O-N 3.47Å; D24-R27 IonicContact OD1-CZ 2.6Å; D24-R27 IonicContact OD1-NE 3.54Å; D24-R27 IonicContact OD1-NH1 2.67Å; D24-R27 PolarHBondContact OD1-NH1 3.04Å
25	L	52.2	Low	57.2	Low	14 Å²	14	80.9 Å²	80.9	7%	0.073	46%	0.462	C	S	.	.	H	α-helix	trans	-74.1	-35.1	176.8	-73.3	175.7	0	0	0	112.3	L21 R27 T28 L39 A44	L21-L25 HydrophobicContact CD1-CD1 4.34Å; L21-L25 HydrophobicContact CD1-CG 4.31Å; L21-L25 HydrophobicContact CD2-CD1 3.7Å; L21-L25 HydrophobicContact CG-CD1 3.72Å; L21-L25 HydrophobicContact CG-CG 4.05Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-L25 VanDerWaalsContact O-N 3.16Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-T28 PolarHBondContact O-N 3.31Å; L25-T28 PolarHBondContact O-OG1 3.44Å; L25-L39 HydrophobicContact CB-CD1 4.47Å; L25-L39 HydrophobicContact CB-CD2 3.78Å; L25-L39 HydrophobicContact CD1-CD1 4.08Å; L25-L39 HydrophobicContact CD1-CD2 3.74Å; L25-L39 HydrophobicContact CG-CD2 4.44Å; L25-A44 HydrophobicContact CB-CB 4.4Å
26	C	63.9	Low	59.7	Low	31 Å²	31	81.8 Å²	81.8	21%	0.209	47%	0.47	C	S	.	.	H	α-helix	trans	-77.7	-16.6	174.6	-80.5	0	0	0	0	113.2	T28 V29 C37	C26-T28 VanDerWaalsContact C-N 3.25Å; C26-T28 PolarHBondContact O-N 2.85Å; C26-V29 PolarHBondContact O-N 2.85Å; C26-C37 WeakPolarHBondContact CA-SG 3.32Å; C26-C37 HydrophobicContact CB-CB 3.65Å; C26-C37 WeakPolarHBondContact CB-SG 3.4Å; C26-C37 VanDerWaalsContact SG-C 3.6Å; C26-C37 WeakPolarHBondContact SG-CB 3.44Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 2.91Å
27	R	60.8	Low	61.9	Low	167 Å²	167	77.7 Å²	77.7	63%	0.63	44%	0.435	S	S	*	.	H	α-helix	trans	-67	-23.9	169.8	-82.5	166.9	-168.8	-179.8	1.3	113.3	E23 D24 L25	E23-R27 WeakPolarHBondContact O-CB 3.43Å; E23-R27 WeakPolarHBondContact O-CD 3.25Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 3.09Å; E23-R27 VanDerWaalsContact O-N 3.11Å; E23-R27 IonicContact OE2-CZ 2.86Å; E23-R27 IonicContact OE2-NH2 3.67Å; E23-R27 PolarHBondContact OE2-NH2 2.83Å; D24-R27 PolarHBondContact O-N 3.47Å; D24-R27 IonicContact OD1-CZ 2.6Å; D24-R27 IonicContact OD1-NE 3.54Å; D24-R27 IonicContact OD1-NH1 2.67Å; D24-R27 PolarHBondContact OD1-NH1 3.04Å; L25-R27 VanDerWaalsContact C-N 3.32Å
28	T	51.1	Low	64	Low	106 Å²	106	77.7 Å²	77.7	65%	0.65	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.5	178.6	63.7	0	0	0	0	113.5	L25 C26	L25-T28 PolarHBondContact O-N 3.31Å; L25-T28 PolarHBondContact O-OG1 3.44Å; C26-T28 VanDerWaalsContact C-N 3.25Å; C26-T28 PolarHBondContact O-N 2.85Å
29	V	55.7	Low	65.1	Low	46 Å²	46	77 Å²	77	28%	0.279	42%	0.421	S	S	.	.			trans	-118.8	121.3	-177.2	177.6	0	0	0	0	111.4	C26 A44	C26-V29 PolarHBondContact O-N 2.85Å; V29-A44 HydrophobicContact CB-CB 4.22Å; V29-A44 HydrophobicContact CG2-CB 3.49Å; V29-A44 VanDerWaalsContact CG2-CB 3.49Å
30	T	69.5	Low	66	Low	143 Å²	143	76.1 Å²	76.1	88%	0.877	41%	0.406	S	S	*	.			trans	-100.2	112.9	175.6	49.3	0	0	0	0	111.8
31	C	77.5	Confident	66.3	Low	43 Å²	43	76.2 Å²	76.2	29%	0.291	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-91	158.3	-178.4	-61.9	0	0	0	0	114.8	E35 C46	C31-E35 HydrophobicContact CB-CB 3.96Å; C31-C46 WeakPolarHBondContact CA-SG 3.35Å; C31-C46 HydrophobicContact CB-CB 3.64Å; C31-C46 WeakPolarHBondContact CB-SG 3.4Å; C31-C46 WeakPolarHBondContact SG-CA 3.34Å; C31-C46 WeakPolarHBondContact SG-CB 3.35Å; C31-C46 CovalentContact SG-SG 2.04Å; C31-C46 PolarHBondContact SG-SG 2.87Å
32	K	78.8	Confident	66.8	Low	119 Å²	119	77.4 Å²	77.4	52%	0.517	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-74.8	162.6	178	-61.3	175.2	-178.3	170.8	0	111	G34 E35 A278	K32-G34 PolarHBondContact O-N 3.41Å; K32-E35 WeakPolarHBondContact CB-OE2 3.49Å; K32-E35 PolarHBondContact N-OE2 3.38Å; K32-E35 WeakPolarHBondContact O-CB 3.37Å; K32-E35 PolarHBondContact O-N 3.06Å; K32-A278 PolarHBondContact NZ-O 3.31Å
33	A	81.8	Confident	67	Low	68 Å²	68	74.1 Å²	74.1	56%	0.562	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	125.7	175.7	0	0	0	0	0	110.9
34	G	85.9	Confident	67.4	Low	6 Å²	6	69.3 Å²	69.3	6%	0.062	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-2.4	-174.8	0	0	0	0	0	114.2	K32 C48 I49	K32-G34 PolarHBondContact O-N 3.41Å; G34-C48 WeakPolarHBondContact O-CA 3.28Å; G34-I49 WeakPolarHBondContact O-CG1 3.38Å; G34-I49 PolarHBondContact O-N 2.96Å
35	E	91.3	Very high	68.4	Low	50 Å²	50	68.8 Å²	68.8	23%	0.234	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.6	172.6	-63.1	165.3	178.6	0	0	110.5	C31 K32 C46 K47 C78	C31-E35 HydrophobicContact CB-CB 3.96Å; K32-E35 WeakPolarHBondContact CB-OE2 3.49Å; K32-E35 PolarHBondContact N-OE2 3.38Å; K32-E35 WeakPolarHBondContact O-CB 3.37Å; K32-E35 PolarHBondContact O-N 3.06Å; E35-C46 HydrophobicContact CB-CB 4.14Å; E35-C46 WeakPolarHBondContact OE2-CB 3.37Å; E35-K47 CarbonylContact C-O 3.59Å; E35-K47 WeakPolarHBondContact CA-O 3.38Å; E35-C78 VanDerWaalsContact CG-SG 3.56Å
36	N	88.7	Confident	69.8	Low	108 Å²	108	70.2 Å²	70.2	58%	0.578	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.7	166.8	-148.3	15.8	0	0	0	108.8	V38 K47 I49	N36-V38 PolarHBondContact O-N 3.34Å; N36-K47 PolarHBondContact N-O 3.04Å; N36-K47 PolarHBondContact O-N 2.93Å; N36-I49 HydrophobicContact CB-CG1 4.15Å
37	C	79.7	Confident	71	Confident	21 Å²	21	72.4 Å²	72.4	14%	0.142	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.7	172.9	-179.1	0	0	0	0	109.1	C26 Q45	C26-C37 WeakPolarHBondContact CA-SG 3.32Å; C26-C37 HydrophobicContact CB-CB 3.65Å; C26-C37 WeakPolarHBondContact CB-SG 3.4Å; C26-C37 VanDerWaalsContact SG-C 3.6Å; C26-C37 WeakPolarHBondContact SG-CB 3.44Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 2.91Å; C37-Q45 WeakPolarHBondContact CA-O 3.33Å
38	V	82.7	Confident	72.5	Confident	55 Å²	55	66 Å²	66	33%	0.333	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.6	171.7	-61.9	0	0	0	0	108.7	N36 Q45 K47	N36-V38 PolarHBondContact O-N 3.34Å; V38-Q45 PolarHBondContact N-O 3.25Å; V38-Q45 PolarHBondContact O-N 3.41Å; V38-K47 HydrophobicContact CG2-CB 3.82Å; V38-K47 HydrophobicContact CG2-CD 3.57Å; V38-K47 HydrophobicContact CG2-CG 3.48Å; V38-K47 VanDerWaalsContact CG2-CG 3.48Å
39	L	60.9	Low	74.4	Confident	46 Å²	46	62.8 Å²	62.8	24%	0.241	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.4	170.1	-69	-179.6	0	0	0	109	E22 L25 V43 A44	E22-L39 HydrophobicContact CB-CD1 4.36Å; E22-L39 HydrophobicContact CG-CD1 3.8Å; L25-L39 HydrophobicContact CB-CD1 4.47Å; L25-L39 HydrophobicContact CB-CD2 3.78Å; L25-L39 HydrophobicContact CD1-CD1 4.08Å; L25-L39 HydrophobicContact CD1-CD2 3.74Å; L25-L39 HydrophobicContact CG-CD2 4.44Å; L39-V43 WeakPolarHBondContact CA-O 3.44Å; L39-A44 HydrophobicContact CD2-CB 3.88Å
40	E	61.9	Low	76	Confident	78 Å²	78	67.4 Å²	67.4	36%	0.364	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.4	168.8	-169.3	171.4	-127.9	0	0	108.3	N42 V43 K47	E40-N42 VanDerWaalsContact C-N 3.29Å; E40-N42 PolarHBondContact O-N 3.13Å; E40-V43 PolarHBondContact N-O 2.85Å; E40-V43 PolarHBondContact O-N 2.94Å; E40-K47 IonicContact OE1-NZ 3.64Å; E40-K47 PolarHBondContact OE1-NZ 2.82Å; E40-K47 WeakPolarHBondContact OE2-CE 3.4Å; E40-K47 IonicContact OE2-NZ 3.88Å; E40-K47 PolarHBondContact OE2-NZ 2.93Å
41	N	55.8	Low	76.8	Confident	140 Å²	140	69.1 Å²	69.1	75%	0.749	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.8	-173.3	-54.5	-29.8	0	0	0	113.2	V43	N41-V43 PolarHBondContact O-N 2.86Å; N41-V43 VanDerWaalsContact O-N 3.17Å
42	N	51.8	Low	77.2	Confident	46 Å²	46	67.6 Å²	67.6	25%	0.246	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	17	-176.2	-60.1	-41.9	0	0	0	115.1	E40	E40-N42 VanDerWaalsContact C-N 3.29Å; E40-N42 PolarHBondContact O-N 3.13Å
43	V	49.5	Very low	77.6	Confident	59 Å²	59	71.3 Å²	71.3	36%	0.358	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	174.5	-177.3	0	0	0	0	108.8	L39 E40 N41 Q45	L39-V43 WeakPolarHBondContact CA-O 3.44Å; E40-V43 PolarHBondContact N-O 2.85Å; E40-V43 PolarHBondContact O-N 2.94Å; N41-V43 PolarHBondContact O-N 2.86Å; N41-V43 VanDerWaalsContact O-N 3.17Å; V43-Q45 HydrophobicContact CB-CG 4.35Å; V43-Q45 HydrophobicContact CG1-CG 3.92Å; V43-Q45 PolarHBondContact O-N 2.91Å
44	A	63	Low	76.7	Confident	23 Å²	23	79 Å²	79	19%	0.19	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.5	172.7	0	0	0	0	0	110	L25 V29 L39	L25-A44 HydrophobicContact CB-CB 4.4Å; V29-A44 HydrophobicContact CB-CB 4.22Å; V29-A44 HydrophobicContact CG2-CB 3.49Å; V29-A44 VanDerWaalsContact CG2-CB 3.49Å; L39-A44 HydrophobicContact CD2-CB 3.88Å
45	Q	73.5	Confident	75.6	Confident	76 Å²	76	90.3 Å²	90.3	36%	0.355	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.8	-177.2	-62.4	-176.1	15.3	0	0	110.7	C37 V38 V43 K47	C37-Q45 WeakPolarHBondContact CA-O 3.33Å; V38-Q45 PolarHBondContact N-O 3.25Å; V38-Q45 PolarHBondContact O-N 3.41Å; V43-Q45 HydrophobicContact CB-CG 4.35Å; V43-Q45 HydrophobicContact CG1-CG 3.92Å; V43-Q45 PolarHBondContact O-N 2.91Å; Q45-K47 PolarHBondContact O-N 2.8Å
46	C	82.3	Confident	74.5	Confident	44 Å²	44	89.8 Å²	89.8	30%	0.297	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.8	174.5	-61	0	0	0	0	109.9	C31 E35	C31-C46 WeakPolarHBondContact CA-SG 3.35Å; C31-C46 HydrophobicContact CB-CB 3.64Å; C31-C46 WeakPolarHBondContact CB-SG 3.4Å; C31-C46 WeakPolarHBondContact SG-CA 3.34Å; C31-C46 WeakPolarHBondContact SG-CB 3.35Å; C31-C46 CovalentContact SG-SG 2.04Å; C31-C46 PolarHBondContact SG-SG 2.87Å; E35-C46 HydrophobicContact CB-CB 4.14Å; E35-C46 WeakPolarHBondContact OE2-CB 3.37Å
47	K	89.5	Confident	74.2	Confident	77 Å²	77	92.2 Å²	92.2	34%	0.335	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150	175.6	-69.9	-160	-170.1	-176.9	0	111.3	E35 N36 V38 E40 Q45 I49	E35-K47 CarbonylContact C-O 3.59Å; E35-K47 WeakPolarHBondContact CA-O 3.38Å; N36-K47 PolarHBondContact N-O 3.04Å; N36-K47 PolarHBondContact O-N 2.93Å; V38-K47 HydrophobicContact CG2-CB 3.82Å; V38-K47 HydrophobicContact CG2-CD 3.57Å; V38-K47 HydrophobicContact CG2-CG 3.48Å; V38-K47 VanDerWaalsContact CG2-CG 3.48Å; E40-K47 IonicContact OE1-NZ 3.64Å; E40-K47 PolarHBondContact OE1-NZ 2.82Å; E40-K47 WeakPolarHBondContact OE2-CE 3.4Å; E40-K47 IonicContact OE2-NZ 3.88Å; E40-K47 PolarHBondContact OE2-NZ 2.93Å; Q45-K47 PolarHBondContact O-N 2.8Å; K47-I49 PolarHBondContact O-N 2.58Å
48	C	92	Very high	74.7	Confident	31 Å²	31	93.2 Å²	93.2	21%	0.209	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.1	177.8	-56.3	0	0	0	0	111.9	G34 Q50 C78 K79	G34-C48 WeakPolarHBondContact O-CA 3.28Å; C48-Q50 PolarHBondContact O-N 2.86Å; C48-Q50 VanDerWaalsContact O-N 3.13Å; C48-Q50 PolarHBondContact O-NE2 3.08Å; C48-Q50 VanDerWaalsContact O-NE2 3.09Å; C48-C78 WeakPolarHBondContact CA-SG 3.29Å; C48-C78 HydrophobicContact CB-CB 3.69Å; C48-C78 WeakPolarHBondContact CB-SG 3.48Å; C48-C78 WeakPolarHBondContact SG-CB 3.33Å; C48-C78 PolarHBondContact SG-O 3.34Å; C48-C78 CovalentContact SG-SG 2.03Å; C48-C78 PolarHBondContact SG-SG 2.93Å; C48-K79 HydrophobicContact CB-CG 3.92Å
49	I	91.5	Very high	75.1	Confident	39 Å²	39	90.7 Å²	90.7	20%	0.2	42%	0.424	C	S	.	.			trans	-56.9	118.6	177.1	-66.5	170.2	0	0	0	108.5	G34 N36 K47 W51 S75 K79	G34-I49 WeakPolarHBondContact O-CG1 3.38Å; G34-I49 PolarHBondContact O-N 2.96Å; N36-I49 HydrophobicContact CB-CG1 4.15Å; K47-I49 PolarHBondContact O-N 2.58Å; I49-W51 WeakPolarHBondContact CG2-O 3.43Å; I49-S75 PolarHBondContact O-OG 2.81Å; I49-K79 WeakPolarHBondContact O-CE 3.11Å; I49-K79 PolarHBondContact O-NZ 2.82Å
50	Q	87.7	Confident	76.6	Confident	143 Å²	143	88.7 Å²	88.7	67%	0.668	42%	0.415	S	S	*	.			trans	-79.7	-36.2	-178.8	-64.6	-56.6	-33.2	0	0	112.2	C48 K79	C48-Q50 PolarHBondContact O-N 2.86Å; C48-Q50 VanDerWaalsContact O-N 3.13Å; C48-Q50 PolarHBondContact O-NE2 3.08Å; C48-Q50 VanDerWaalsContact O-NE2 3.09Å; Q50-K79 PolarHBondContact O-NZ 3.06Å; Q50-K79 VanDerWaalsContact O-NZ 3.11Å
51	W	86.9	Confident	78	Confident	179 Å²	179	85 Å²	85	68%	0.678	40%	0.398	S	S	*	.			trans	-129.5	131.3	-175.3	-174.5	89	0	0	0	112.2	I49 R53	I49-W51 WeakPolarHBondContact CG2-O 3.43Å; W51-R53 HydrophobicContact CE3-CG 4.48Å; W51-R53 HydrophobicContact CH2-CB 4.26Å; W51-R53 HydrophobicContact CH2-CG 3.59Å; W51-R53 HydrophobicContact CZ3-CB 4.31Å; W51-R53 HydrophobicContact CZ3-CG 3.43Å; W51-R53 VanDerWaalsContact CZ3-CG 3.43Å
52	C	87.1	Confident	79.5	Confident	12 Å²	12	80.5 Å²	80.5	8%	0.081	38%	0.377	C	S	.	.			trans	-112.4	143.5	172.7	-69.1	0	0	0	0	109.6	R54 C71 H72	C52-R54 PolarHBondContact O-N 2.85Å; C52-C71 HydrophobicContact CB-CB 3.8Å; C52-C71 WeakPolarHBondContact CB-SG 3.29Å; C52-C71 WeakPolarHBondContact SG-CB 3.45Å; C52-C71 PolarHBondContact SG-O 3.3Å; C52-C71 VanDerWaalsContact SG-O 3.4Å; C52-C71 CovalentContact SG-SG 2.05Å; C52-C71 PolarHBondContact SG-SG 3.41Å; C52-H72 WeakPolarHBondContact CB-CE1 3.47Å
53	R	85.2	Confident	81.3	Confident	196 Å²	196	81.4 Å²	81.4	74%	0.74	38%	0.382	S	S	*	.			trans	-60.1	134.3	173.4	-72.7	-177.5	175.8	175.9	0.3	110	W51 R55	W51-R53 HydrophobicContact CE3-CG 4.48Å; W51-R53 HydrophobicContact CH2-CB 4.26Å; W51-R53 HydrophobicContact CH2-CG 3.59Å; W51-R53 HydrophobicContact CZ3-CB 4.31Å; W51-R53 HydrophobicContact CZ3-CG 3.43Å; W51-R53 VanDerWaalsContact CZ3-CG 3.43Å; R53-R55 VanDerWaalsContact C-N 3.29Å; R53-R55 PolarHBondContact O-N 3.43Å
54	R	64.1	Low	83.3	Confident	229 Å²	229	83.2 Å²	83.2	86%	0.864	40%	0.397	S	S	*	.	S	Bend	trans	-69.1	-18.1	-176.4	-71.9	-170.3	175.6	169	-0.1	114.9	C52	C52-R54 PolarHBondContact O-N 2.85Å
55	R	62.8	Low	84.6	Confident	245 Å²	245	85.4 Å²	85.4	93%	0.925	41%	0.408	S	S	*	.			trans	-92.5	102.5	175.1	-72.7	-175.3	-178.8	178.1	0.7	109.6	R53	R53-R55 VanDerWaalsContact C-N 3.29Å; R53-R55 PolarHBondContact O-N 3.43Å
56	G	67.8	Low	85.5	Confident	38 Å²	38	84.4 Å²	84.4	39%	0.392	41%	0.407	S	S	.	.			trans	-152.8	168.7	172.9	0	0	0	0	0	112.1	P68	G56-P68 CarbonylContact C-O 3.52Å
57	H	83.5	Confident	85.9	Confident	159 Å²	159	83.4 Å²	83.4	74%	0.736	40%	0.397	S	S	*	.			trans	-84.8	125.3	176.1	-61.8	-68.6	0	0	0	109.6	P68 S69	H57-P68 CarbonylContact C-O 3.57Å; H57-S69 WeakPolarHBondContact O-CA 3.41Å
58	P	89.3	Confident	85.9	Confident	43 Å²	43	83.2 Å²	83.2	28%	0.279	40%	0.404	S	S	.	.			trans	-62.5	148.2	-179.2	25.5	-33.1	0	0	0	111.1	T66 Y67 G90 K91	P58-T66 HydrophobicContact CB-CG2 4.08Å; P58-Y67 CarbonylContact C-O 3.47Å; P58-Y67 WeakPolarHBondContact CA-O 3.29Å; P58-G90 CarbonylContact C-O 3.44Å; P58-G90 VanDerWaalsContact O-CA 3.29Å; P58-G90 WeakPolarHBondContact O-CA 3.35Å; P58-G90 PolarHBondContact O-N 3.32Å; P58-K91 HydrophobicContact CB-CG 4.3Å; P58-K91 HydrophobicContact CG-CG 4.27Å
59	V	91.8	Very high	85.8	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.006	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.5	177.6	-64.4	0	0	0	0	109.9	Y67 R70 L73 I86 G90	V59-Y67 PolarHBondContact N-O 2.76Å; V59-Y67 PolarHBondContact O-N 3.26Å; V59-R70 HydrophobicContact CG1-CG 3.83Å; V59-L73 HydrophobicContact CG2-CB 4.14Å; V59-L73 HydrophobicContact CG2-CD1 3.91Å; V59-I86 HydrophobicContact CB-CG1 4.28Å; V59-I86 HydrophobicContact CB-CG2 4.04Å; V59-I86 HydrophobicContact CG1-CG2 4.29Å; V59-I86 HydrophobicContact CG2-CG1 4.19Å; V59-G90 CarbonylContact C-O 3.53Å; V59-G90 WeakPolarHBondContact CA-O 3.49Å; V59-G90 PolarHBondContact N-O 3.47Å
60	C	92.8	Very high	85.8	Confident	5 Å²	5	86.3 Å²	86.3	3%	0.034	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.7	174	-176.1	0	0	0	0	108.7	I86 A87 H88 G90 C92	C60-I86 CarbonylContact O-C 3.05Å; C60-A87 PolarHBondContact O-N 3.41Å; C60-H88 WeakPolarHBondContact CB-NE2 3.38Å; C60-H88 PolarHBondContact N-O 3.5Å; C60-G90 PolarHBondContact N-O 3.31Å; C60-C92 WeakPolarHBondContact CA-SG 3.43Å; C60-C92 HydrophobicContact CB-CB 4.03Å; C60-C92 WeakPolarHBondContact CB-SG 3.49Å; C60-C92 WeakPolarHBondContact SG-CA 3.43Å; C60-C92 WeakPolarHBondContact SG-CB 3.42Å; C60-C92 CovalentContact SG-SG 2.03Å; C60-C92 PolarHBondContact SG-SG 3.03Å
61	G	89.6	Confident	85.9	Confident	1 Å²	1	81.4 Å²	81.4	1%	0.01	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	160	174	0	0	0	0	0	112.2	D63 S64 V65 H85	G61-D63 PolarHBondContact O-N 2.97Å; G61-D63 VanDerWaalsContact O-N 3.11Å; G61-S64 PolarHBondContact O-N 3.18Å; G61-V65 PolarHBondContact N-O 3.31Å; G61-H85 CarbonylContact C-O 3.44Å; G61-H85 WeakPolarHBondContact CA-O 3.47Å
62	S	88.7	Confident	86.2	Confident	45 Å²	45	75.3 Å²	75.3	32%	0.315	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.8	172.8	56.7	0	0	0	0	114.3	S64 H85	S62-S64 VanDerWaalsContact C-N 3.31Å; S62-H85 WeakPolarHBondContact CB-CE1 3.26Å; S62-H85 WeakPolarHBondContact CB-ND1 3.41Å; S62-H85 PolarHBondContact N-O 3.49Å; S62-H85 PolarHBondContact OG-N 3.33Å; S62-H85 PolarHBondContact OG-ND1 3.38Å
63	D	89.9	Confident	86.5	Confident	64 Å²	64	74.8 Å²	74.8	34%	0.342	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	10.1	172.4	63.9	-17.3	0	0	0	113.1	G61 V65 Y67 L84	G61-D63 PolarHBondContact O-N 2.97Å; G61-D63 VanDerWaalsContact O-N 3.11Å; D63-V65 HydrophobicContact CB-CG2 4.4Å; D63-V65 PolarHBondContact O-N 3.29Å; D63-V65 WeakPolarHBondContact OD1-CB 3.48Å; D63-V65 PolarHBondContact OD1-N 3.49Å; D63-V65 VanDerWaalsContact OD1-N 3.15Å; D63-V65 WeakPolarHBondContact OD2-CG2 3.44Å; D63-Y67 PolarHBondContact OD2-OH 3.38Å; D63-L84 HydrophobicContact CB-CD2 3.83Å
64	S	89.7	Confident	86.8	Confident	98 Å²	98	68.3 Å²	68.3	69%	0.685	35%	0.345	S	S	*	.	S	Bend	trans	60.6	20.9	-174.4	-51.7	0	0	0	0	113.9	G61 S62 C92	G61-S64 PolarHBondContact O-N 3.18Å; S62-S64 VanDerWaalsContact C-N 3.31Å; S64-C92 PolarHBondContact O-SG 3.26Å; S64-C92 VanDerWaalsContact O-SG 3.33Å
65	V	90.9	Very high	88.1	Confident	69 Å²	69	57.8 Å²	57.8	42%	0.418	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-98.8	134.5	174.5	179.9	0	0	0	0	109.9	G61 D63 Y67 C92	G61-V65 PolarHBondContact N-O 3.31Å; D63-V65 HydrophobicContact CB-CG2 4.4Å; D63-V65 PolarHBondContact O-N 3.29Å; D63-V65 WeakPolarHBondContact OD1-CB 3.48Å; D63-V65 PolarHBondContact OD1-N 3.49Å; D63-V65 VanDerWaalsContact OD1-N 3.15Å; D63-V65 WeakPolarHBondContact OD2-CG2 3.44Å; V65-Y67 HydrophobicContact CB-CE2 4.05Å; V65-Y67 HydrophobicContact CG1-CE2 4.26Å; V65-Y67 VanDerWaalsContact O-CD2 3.31Å; V65-Y67 WeakPolarHBondContact O-CD2 3.4Å; V65-Y67 PolarHBondContact O-N 2.76Å; V65-C92 PolarHBondContact O-SG 2.9Å; V65-C92 VanDerWaalsContact O-SG 3.4Å
66	T	92.1	Very high	89.5	Confident	55 Å²	55	49.9 Å²	49.9	34%	0.337	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	118.7	174.2	-62.3	0	0	0	0	110.2	P58 K91 C92	P58-T66 HydrophobicContact CB-CG2 4.08Å; T66-K91 HydrophobicContact CG2-CB 3.93Å; T66-K91 HydrophobicContact CG2-CG 3.84Å; T66-C92 PolarHBondContact OG1-N 2.89Å
67	Y	91	Very high	90.6	Very high	22 Å²	22	49 Å²	49	9%	0.086	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.8	174.8	-69.6	-88.9	0	0	0	111.2	P58 V59 D63 V65 S69 H72 L73 E76 L84	P58-Y67 CarbonylContact C-O 3.47Å; P58-Y67 WeakPolarHBondContact CA-O 3.29Å; V59-Y67 PolarHBondContact N-O 2.76Å; V59-Y67 PolarHBondContact O-N 3.26Å; D63-Y67 PolarHBondContact OD2-OH 3.38Å; V65-Y67 HydrophobicContact CB-CE2 4.05Å; V65-Y67 HydrophobicContact CG1-CE2 4.26Å; V65-Y67 VanDerWaalsContact O-CD2 3.31Å; V65-Y67 WeakPolarHBondContact O-CD2 3.4Å; V65-Y67 PolarHBondContact O-N 2.76Å; Y67-S69 PolarHBondContact O-N 3.01Å; Y67-H72 HydrophobicContact CD1-CB 4.36Å; Y67-L73 HydrophobicContact CD1-CB 4.15Å; Y67-L73 HydrophobicContact CD2-CB 4Å; Y67-L73 HydrophobicContact CD2-CD1 3.72Å; Y67-L73 HydrophobicContact CD2-CG 3.96Å; Y67-L73 HydrophobicContact CE2-CD1 4.15Å; Y67-L73 HydrophobicContact CE2-CG 4.19Å; Y67-L73 HydrophobicContact CG-CB 3.75Å; Y67-L73 HydrophobicContact CG-CD1 4.31Å; Y67-L73 HydrophobicContact CG-CG 4.23Å; Y67-E76 HydrophobicContact CE1-CB 3.71Å; Y67-E76 HydrophobicContact CE1-CG 3.85Å; Y67-L84 VanDerWaalsContact OH-CD1 3.24Å; Y67-L84 WeakPolarHBondContact OH-CD1 3.31Å
68	P	88.9	Confident	90.9	Very high	74 Å²	74	42.6 Å²	42.6	48%	0.481	24%	0.242	S	C	.	.	S	Bend	trans	-60.8	-28	-179.4	-24.4	32.6	0	0	0	114.5	G56 H57	G56-P68 CarbonylContact C-O 3.52Å; H57-P68 CarbonylContact C-O 3.57Å
69	S	90.1	Very high	91	Very high	11 Å²	11	44.9 Å²	44.9	8%	0.077	25%	0.247	C	C	.	.	S	Bend	trans	-160.6	167.8	173.3	76.8	0	0	0	0	112.3	H57 Y67 C71 H72 L73	H57-S69 WeakPolarHBondContact O-CA 3.41Å; Y67-S69 PolarHBondContact O-N 3.01Å; S69-C71 PolarHBondContact O-N 3.4Å; S69-C71 PolarHBondContact OG-N 3.41Å; S69-H72 WeakPolarHBondContact O-CB 3.12Å; S69-H72 PolarHBondContact O-N 2.92Å; S69-H72 PolarHBondContact OG-ND1 3.37Å; S69-L73 PolarHBondContact O-N 3.4Å; S69-L73 VanDerWaalsContact O-N 3.14Å
70	R	91.6	Very high	90.9	Very high	124 Å²	124	46.5 Å²	46.5	47%	0.468	26%	0.259	S	S	.	.	H	α-helix	trans	-51.3	-37.6	171.9	-62.6	-171.3	172.7	116.4	-1.5	113.1	V59 L73 H74 I86 D89	V59-R70 HydrophobicContact CG1-CG 3.83Å; R70-L73 PolarHBondContact O-N 2.62Å; R70-H74 PolarHBondContact O-N 2.89Å; R70-I86 HydrophobicContact CB-CD1 4.28Å; R70-I86 HydrophobicContact CG-CD1 3.67Å; R70-D89 IonicContact CZ-OD1 3.06Å; R70-D89 IonicContact NE-OD1 3.92Å; R70-D89 IonicContact NH2-OD1 3.36Å; R70-D89 PolarHBondContact NH2-OD1 3.19Å; R70-D89 IonicContact NH2-OD2 2.77Å; R70-D89 PolarHBondContact NH2-OD2 3.27Å
71	C	90.7	Very high	90.4	Very high	39 Å²	39	55.7 Å²	55.7	26%	0.264	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-44.6	175.6	-180	0	0	0	0	111.5	C52 S69 L73 H74 S75	C52-C71 HydrophobicContact CB-CB 3.8Å; C52-C71 WeakPolarHBondContact CB-SG 3.29Å; C52-C71 WeakPolarHBondContact SG-CB 3.45Å; C52-C71 PolarHBondContact SG-O 3.3Å; C52-C71 VanDerWaalsContact SG-O 3.4Å; C52-C71 CovalentContact SG-SG 2.05Å; C52-C71 PolarHBondContact SG-SG 3.41Å; S69-C71 PolarHBondContact O-N 3.4Å; S69-C71 PolarHBondContact OG-N 3.41Å; C71-L73 PolarHBondContact O-N 2.81Å; C71-H74 PolarHBondContact O-N 2.89Å; C71-S75 WeakPolarHBondContact O-CB 3.41Å; C71-S75 PolarHBondContact O-N 2.73Å
72	H	93.5	Very high	90.1	Very high	52 Å²	52	62.1 Å²	62.1	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-65.3	-40.8	-179.4	-66.5	84.8	0	0	0	111.3	C52 Y67 S69 E76	C52-H72 WeakPolarHBondContact CB-CE1 3.47Å; Y67-H72 HydrophobicContact CD1-CB 4.36Å; S69-H72 WeakPolarHBondContact O-CB 3.12Å; S69-H72 PolarHBondContact O-N 2.92Å; S69-H72 PolarHBondContact OG-ND1 3.37Å; H72-E76 VanDerWaalsContact O-CB 3.28Å; H72-E76 WeakPolarHBondContact O-CB 3.28Å; H72-E76 PolarHBondContact O-N 2.82Å
73	L	92.9	Very high	89.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.3	-49.2	176.2	-174.6	152.2	0	0	0	111.6	V59 Y67 S69 R70 C71 E76 A77 L84 I86	V59-L73 HydrophobicContact CG2-CB 4.14Å; V59-L73 HydrophobicContact CG2-CD1 3.91Å; Y67-L73 HydrophobicContact CD1-CB 4.15Å; Y67-L73 HydrophobicContact CD2-CB 4Å; Y67-L73 HydrophobicContact CD2-CD1 3.72Å; Y67-L73 HydrophobicContact CD2-CG 3.96Å; Y67-L73 HydrophobicContact CE2-CD1 4.15Å; Y67-L73 HydrophobicContact CE2-CG 4.19Å; Y67-L73 HydrophobicContact CG-CB 3.75Å; Y67-L73 HydrophobicContact CG-CD1 4.31Å; Y67-L73 HydrophobicContact CG-CG 4.23Å; S69-L73 PolarHBondContact O-N 3.4Å; S69-L73 VanDerWaalsContact O-N 3.14Å; R70-L73 PolarHBondContact O-N 2.62Å; C71-L73 PolarHBondContact O-N 2.81Å; L73-E76 PolarHBondContact O-N 2.91Å; L73-A77 WeakPolarHBondContact O-CB 3.22Å; L73-A77 PolarHBondContact O-N 3.27Å; L73-L84 HydrophobicContact CD2-CB 4.2Å; L73-L84 HydrophobicContact CG-CB 4.46Å; L73-I86 HydrophobicContact CD1-CB 4.46Å; L73-I86 HydrophobicContact CD1-CG1 3.76Å; L73-I86 HydrophobicContact CD2-CG1 4.24Å
74	H	91.4	Very high	89.3	Confident	61 Å²	61	64.1 Å²	64.1	28%	0.282	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-37.1	179.9	-64.2	157.9	0	0	0	112.9	R70 C71 E76 A77 C78	R70-H74 PolarHBondContact O-N 2.89Å; C71-H74 PolarHBondContact O-N 2.89Å; H74-E76 VanDerWaalsContact C-N 3.34Å; H74-A77 WeakPolarHBondContact O-CB 3.45Å; H74-A77 PolarHBondContact O-N 2.67Å; H74-C78 WeakPolarHBondContact O-CB 3.49Å; H74-C78 PolarHBondContact O-N 3.14Å
75	S	91.3	Very high	89.1	Confident	7 Å²	7	64.3 Å²	64.3	5%	0.049	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-44.8	173.1	174.7	0	0	0	0	110.7	I49 C71 C78 K79	I49-S75 PolarHBondContact O-OG 2.81Å; C71-S75 WeakPolarHBondContact O-CB 3.41Å; C71-S75 PolarHBondContact O-N 2.73Å; S75-C78 PolarHBondContact O-N 3.13Å; S75-K79 WeakPolarHBondContact O-CB 3.13Å; S75-K79 VanDerWaalsContact O-CG 3.31Å; S75-K79 WeakPolarHBondContact O-CG 3.36Å; S75-K79 PolarHBondContact O-N 3.28Å; S75-K79 WeakPolarHBondContact OG-CE 3.35Å; S75-K79 PolarHBondContact OG-NZ 2.86Å
76	E	92.4	Very high	88.9	Confident	79 Å²	79	63.4 Å²	63.4	37%	0.369	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-41.3	176.5	-169.3	60.6	-147.7	0	0	111.6	Y67 H72 L73 H74 C78 K79 S80 L84	Y67-E76 HydrophobicContact CE1-CB 3.71Å; Y67-E76 HydrophobicContact CE1-CG 3.85Å; H72-E76 VanDerWaalsContact O-CB 3.28Å; H72-E76 WeakPolarHBondContact O-CB 3.28Å; H72-E76 PolarHBondContact O-N 2.82Å; L73-E76 PolarHBondContact O-N 2.91Å; H74-E76 VanDerWaalsContact C-N 3.34Å; E76-C78 VanDerWaalsContact C-N 3.27Å; E76-C78 PolarHBondContact O-N 3.34Å; E76-K79 PolarHBondContact O-N 2.87Å; E76-S80 VanDerWaalsContact O-CB 3.27Å; E76-S80 WeakPolarHBondContact O-CB 3.34Å; E76-S80 PolarHBondContact O-N 2.9Å; E76-S80 PolarHBondContact O-OG 3.09Å; E76-L84 HydrophobicContact CB-CD1 4.14Å; E76-L84 HydrophobicContact CG-CD1 3.92Å
77	A	89.7	Confident	88.6	Confident	19 Å²	19	62.9 Å²	62.9	16%	0.157	31%	0.307	C	S	.	.	H	α-helix	trans	-55.9	-44.9	174.7	0	0	0	0	0	111.3	L73 H74 K81 K82 L84	L73-A77 WeakPolarHBondContact O-CB 3.22Å; L73-A77 PolarHBondContact O-N 3.27Å; H74-A77 WeakPolarHBondContact O-CB 3.45Å; H74-A77 PolarHBondContact O-N 2.67Å; A77-K81 WeakPolarHBondContact O-CA 3.39Å; A77-K81 PolarHBondContact O-N 2.96Å; A77-K82 WeakPolarHBondContact CA-O 3.06Å; A77-K82 PolarHBondContact O-N 3.03Å; A77-L84 HydrophobicContact CB-CB 3.9Å; A77-L84 HydrophobicContact CB-CD1 4.36Å; A77-L84 HydrophobicContact CB-CG 4.5Å
78	C	90.6	Very high	88.6	Confident	26 Å²	26	65.7 Å²	65.7	18%	0.176	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-50.8	177.7	-170.3	0	0	0	0	111.9	E35 C48 H74 S75 E76 K81	E35-C78 VanDerWaalsContact CG-SG 3.56Å; C48-C78 WeakPolarHBondContact CA-SG 3.29Å; C48-C78 HydrophobicContact CB-CB 3.69Å; C48-C78 WeakPolarHBondContact CB-SG 3.48Å; C48-C78 WeakPolarHBondContact SG-CB 3.33Å; C48-C78 PolarHBondContact SG-O 3.34Å; C48-C78 CovalentContact SG-SG 2.03Å; C48-C78 PolarHBondContact SG-SG 2.93Å; H74-C78 WeakPolarHBondContact O-CB 3.49Å; H74-C78 PolarHBondContact O-N 3.14Å; S75-C78 PolarHBondContact O-N 3.13Å; E76-C78 VanDerWaalsContact C-N 3.27Å; E76-C78 PolarHBondContact O-N 3.34Å; C78-K81 PolarHBondContact O-N 3.44Å
79	K	92	Very high	88.5	Confident	90 Å²	90	66.9 Å²	66.9	39%	0.391	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-44.7	-175.4	-72.2	175.8	-176.4	175.8	0	113	C48 I49 Q50 S75 E76 K81	C48-K79 HydrophobicContact CB-CG 3.92Å; I49-K79 WeakPolarHBondContact O-CE 3.11Å; I49-K79 PolarHBondContact O-NZ 2.82Å; Q50-K79 PolarHBondContact O-NZ 3.06Å; Q50-K79 VanDerWaalsContact O-NZ 3.11Å; S75-K79 WeakPolarHBondContact O-CB 3.13Å; S75-K79 VanDerWaalsContact O-CG 3.31Å; S75-K79 WeakPolarHBondContact O-CG 3.36Å; S75-K79 PolarHBondContact O-N 3.28Å; S75-K79 WeakPolarHBondContact OG-CE 3.35Å; S75-K79 PolarHBondContact OG-NZ 2.86Å; E76-K79 PolarHBondContact O-N 2.87Å; K79-K81 PolarHBondContact O-N 3.4Å
80	S	89.2	Confident	88.5	Confident	36 Å²	36	67.7 Å²	67.7	25%	0.252	33%	0.333	S	S	.	.	H	α-helix	trans	-79.4	-7.8	-178.9	67	0	0	0	0	113.2	E76 K82	E76-S80 VanDerWaalsContact O-CB 3.27Å; E76-S80 WeakPolarHBondContact O-CB 3.34Å; E76-S80 PolarHBondContact O-N 2.9Å; E76-S80 PolarHBondContact O-OG 3.09Å; S80-K82 PolarHBondContact O-N 3.29Å; S80-K82 VanDerWaalsContact O-N 3.11Å; S80-K82 VanDerWaalsContact OG-CB 3.29Å; S80-K82 WeakPolarHBondContact OG-CB 3.38Å; S80-K82 WeakPolarHBondContact OG-CG 3.41Å; S80-K82 PolarHBondContact OG-N 2.9Å
81	K	83.1	Confident	88.4	Confident	197 Å²	197	69.2 Å²	69.2	86%	0.857	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	25.4	-169.5	-58.8	-179.3	179.3	179.7	0	112.5	A77 C78 K79	A77-K81 WeakPolarHBondContact O-CA 3.39Å; A77-K81 PolarHBondContact O-N 2.96Å; C78-K81 PolarHBondContact O-N 3.44Å; K79-K81 PolarHBondContact O-N 3.4Å
82	K	82	Confident	88.3	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	34%	0.335	S	S	*	.			trans	-94.5	147.8	177.7	-65.5	177.3	-179	177	0	110.5	A77 S80 L84	A77-K82 WeakPolarHBondContact CA-O 3.06Å; A77-K82 PolarHBondContact O-N 3.03Å; S80-K82 PolarHBondContact O-N 3.29Å; S80-K82 VanDerWaalsContact O-N 3.11Å; S80-K82 VanDerWaalsContact OG-CB 3.29Å; S80-K82 WeakPolarHBondContact OG-CB 3.38Å; S80-K82 WeakPolarHBondContact OG-CG 3.41Å; S80-K82 PolarHBondContact OG-N 2.9Å; K82-L84 HydrophobicContact CB-CG 4.21Å; K82-L84 PolarHBondContact O-N 3.21Å; K82-L84 VanDerWaalsContact O-N 3.07Å
83	R	78.4	Confident	87.9	Confident	128 Å²	128	70.8 Å²	70.8	48%	0.483	36%	0.357	S	S	.	.			trans	-80.3	86.1	173.8	-80.4	160.2	162.5	-162	2.7	109.8	I269 F312	R83-I269 VanDerWaalsContact NH2-CD1 3.29Å; R83-F312 HydrophobicContact CB-CE1 4.12Å; R83-F312 HydrophobicContact CB-CE2 3.87Å; R83-F312 HydrophobicContact CB-CZ 3.51Å; R83-F312 VanDerWaalsContact CD-CZ 3.48Å; R83-F312 HydrophobicContact CG-CE1 3.7Å; R83-F312 HydrophobicContact CG-CE2 4.35Å; R83-F312 HydrophobicContact CG-CZ 3.51Å
84	L	83.8	Confident	86.8	Confident	23 Å²	23	78.8 Å²	78.8	12%	0.12	40%	0.4	C	S	.	.			trans	-103.8	131.8	175.3	-62.8	168.8	0	0	0	110.2	D63 Y67 L73 E76 A77 K82	D63-L84 HydrophobicContact CB-CD2 3.83Å; Y67-L84 VanDerWaalsContact OH-CD1 3.24Å; Y67-L84 WeakPolarHBondContact OH-CD1 3.31Å; L73-L84 HydrophobicContact CD2-CB 4.2Å; L73-L84 HydrophobicContact CG-CB 4.46Å; E76-L84 HydrophobicContact CB-CD1 4.14Å; E76-L84 HydrophobicContact CG-CD1 3.92Å; A77-L84 HydrophobicContact CB-CB 3.9Å; A77-L84 HydrophobicContact CB-CD1 4.36Å; A77-L84 HydrophobicContact CB-CG 4.5Å; K82-L84 HydrophobicContact CB-CG 4.21Å; K82-L84 PolarHBondContact O-N 3.21Å; K82-L84 VanDerWaalsContact O-N 3.07Å
85	H	85.5	Confident	85	Confident	102 Å²	102	79.9 Å²	79.9	47%	0.472	42%	0.42	S	S	.	.			trans	-130.1	160.1	169.9	59.6	-83.9	0	0	0	109.9	G61 S62 A87	G61-H85 CarbonylContact C-O 3.44Å; G61-H85 WeakPolarHBondContact CA-O 3.47Å; S62-H85 WeakPolarHBondContact CB-CE1 3.26Å; S62-H85 WeakPolarHBondContact CB-ND1 3.41Å; S62-H85 PolarHBondContact N-O 3.49Å; S62-H85 PolarHBondContact OG-N 3.33Å; S62-H85 PolarHBondContact OG-ND1 3.38Å; H85-A87 PolarHBondContact O-N 2.65Å
86	I	86.8	Confident	82.7	Confident	50 Å²	50	85.5 Å²	85.5	26%	0.256	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	113.3	175.4	-62.8	160.5	0	0	0	107.5	V59 C60 R70 L73	V59-I86 HydrophobicContact CB-CG1 4.28Å; V59-I86 HydrophobicContact CB-CG2 4.04Å; V59-I86 HydrophobicContact CG1-CG2 4.29Å; V59-I86 HydrophobicContact CG2-CG1 4.19Å; C60-I86 CarbonylContact O-C 3.05Å; R70-I86 HydrophobicContact CB-CD1 4.28Å; R70-I86 HydrophobicContact CG-CD1 3.67Å; L73-I86 HydrophobicContact CD1-CB 4.46Å; L73-I86 HydrophobicContact CD1-CG1 3.76Å; L73-I86 HydrophobicContact CD2-CG1 4.24Å
87	A	86.3	Confident	79.9	Confident	44 Å²	44	91.7 Å²	91.7	36%	0.364	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-45.3	172.8	0	0	0	0	0	110.6	C60 H85	C60-A87 PolarHBondContact O-N 3.41Å; H85-A87 PolarHBondContact O-N 2.65Å
88	H	90.8	Very high	77.4	Confident	80 Å²	80	100.6 Å²	100.6	37%	0.37	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	162.9	169.8	63.9	86.4	0	0	0	111.1	C60 K91	C60-H88 WeakPolarHBondContact CB-NE2 3.38Å; C60-H88 PolarHBondContact N-O 3.5Å; H88-K91 PolarHBondContact CE1-O 3.49Å; H88-K91 VanDerWaalsContact CE1-O 3.28Å
89	D	87.2	Confident	74.5	Confident	99 Å²	99	108.9 Å²	108.9	53%	0.529	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.9	170.8	-68.9	-37.9	0	0	0	110.6	R70	R70-D89 IonicContact CZ-OD1 3.06Å; R70-D89 IonicContact NE-OD1 3.92Å; R70-D89 IonicContact NH2-OD1 3.36Å; R70-D89 PolarHBondContact NH2-OD1 3.19Å; R70-D89 IonicContact NH2-OD2 2.77Å; R70-D89 PolarHBondContact NH2-OD2 3.27Å
90	G	88.3	Confident	71.7	Confident	28 Å²	28	112.9 Å²	112.9	29%	0.289	58%	0.575	S	S	.	*	S	Bend	trans	98.1	-174.3	-175.1	0	0	0	0	0	113.9	P58 V59 C60	P58-G90 CarbonylContact C-O 3.44Å; P58-G90 VanDerWaalsContact O-CA 3.29Å; P58-G90 WeakPolarHBondContact O-CA 3.35Å; P58-G90 PolarHBondContact O-N 3.32Å; V59-G90 CarbonylContact C-O 3.53Å; V59-G90 WeakPolarHBondContact CA-O 3.49Å; V59-G90 PolarHBondContact N-O 3.47Å; C60-G90 PolarHBondContact N-O 3.31Å
91	K	90.2	Very high	69	Low	157 Å²	157	118.1 Å²	118.1	68%	0.683	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-81.4	146.8	179.1	-55.1	-171.7	176.2	175	0	110.6	P58 T66 H88	P58-K91 HydrophobicContact CB-CG 4.3Å; P58-K91 HydrophobicContact CG-CG 4.27Å; T66-K91 HydrophobicContact CG2-CB 3.93Å; T66-K91 HydrophobicContact CG2-CG 3.84Å; H88-K91 PolarHBondContact CE1-O 3.49Å; H88-K91 VanDerWaalsContact CE1-O 3.28Å
92	C	88.8	Confident	66.4	Low	15 Å²	15	117.7 Å²	117.7	10%	0.101	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-61.6	144	172.3	-57.9	0	0	0	0	110.9	C60 S64 V65 T66	C60-C92 WeakPolarHBondContact CA-SG 3.43Å; C60-C92 HydrophobicContact CB-CB 4.03Å; C60-C92 WeakPolarHBondContact CB-SG 3.49Å; C60-C92 WeakPolarHBondContact SG-CA 3.43Å; C60-C92 WeakPolarHBondContact SG-CB 3.42Å; C60-C92 CovalentContact SG-SG 2.03Å; C60-C92 PolarHBondContact SG-SG 3.03Å; S64-C92 PolarHBondContact O-SG 3.26Å; S64-C92 VanDerWaalsContact O-SG 3.33Å; V65-C92 PolarHBondContact O-SG 2.9Å; V65-C92 VanDerWaalsContact O-SG 3.4Å; T66-C92 PolarHBondContact OG1-N 2.89Å
93	P	84.7	Confident	64.1	Low	108 Å²	108	116.8 Å²	116.8	70%	0.701	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-64.6	137.1	173	24.7	-30.8	0	0	0	111	A95	P93-A95 PolarHBondContact O-N 2.9Å
94	D	71.1	Confident	61.8	Low	168 Å²	168	119.1 Å²	119.1	90%	0.898	62%	0.623	S	S	*	*			trans	-63	113.8	177.5	-74.7	-42.9	0	0	0	110.5
95	A	52.1	Low	59.2	Low	85 Å²	85	122.3 Å²	122.3	70%	0.702	65%	0.653	S	S	*	*			trans	-74.8	137.9	172.4	0	0	0	0	0	110.8	P93 K97	P93-A95 PolarHBondContact O-N 2.9Å; A95-K97 PolarHBondContact O-N 2.86Å
96	P	44.1	Very low	56.6	Low	125 Å²	125	125.8 Å²	125.8	81%	0.812	67%	0.669	S	S	*	*			trans	-66	122.3	176.9	26	-31.8	0	0	0	110.5	K98	P96-K98 PolarHBondContact O-N 2.79Å
97	K	33.2	Very low	53.7	Low	208 Å²	208	128.7 Å²	128.7	90%	0.904	69%	0.694	S	S	*	*			trans	-55.4	99.5	-178.8	-64.6	177.4	-179.9	176.7	0	111.9	A95	A95-K97 PolarHBondContact O-N 2.86Å
98	K	37.4	Very low	51	Low	207 Å²	207	134.6 Å²	134.6	90%	0.9	71%	0.714	S	S	*	*			trans	-91.8	112.3	158.5	-88.2	-172.6	176.3	-179.5	0	109.5	P96	P96-K98 PolarHBondContact O-N 2.79Å
99	K	30.6	Very low	47.9	Very low	199 Å²	199	137.5 Å²	137.5	87%	0.865	73%	0.731	S	S	*	*			trans	-60.9	126.6	167	-69.4	176.9	174.2	-179.7	0	108.9
100	L	33	Very low	44.9	Very low	174 Å²	174	143.9 Å²	143.9	91%	0.911	75%	0.748	S	S	*	*			trans	-137.4	131.8	151	-161.7	65.8	0	0	0	109.1
101	N	31.5	Very low	41.9	Very low	146 Å²	146	147.9 Å²	147.9	78%	0.781	77%	0.767	S	S	*	*			trans	-64	149.6	-167.1	-74.2	-23.6	0	0	0	113.5
102	Q	29.1	Very low	38.8	Very low	189 Å²	189	150.7 Å²	150.7	88%	0.883	78%	0.775	S	S	*	*			trans	-65.2	129.6	163.1	-66.7	167.8	-12.1	0	0	110.1
103	T	33.3	Very low	35.8	Very low	118 Å²	118	155.4 Å²	155.4	72%	0.724	81%	0.806	S	S	*	*			trans	-154.9	114.4	143.5	19	0	0	0	0	109.5
104	E	30.9	Very low	33.1	Very low	176 Å²	176	156 Å²	156	82%	0.822	81%	0.812	S	S	*	*			trans	61.5	94.8	140.8	-61.4	169.4	163.8	0	0	117.9
105	A	28.3	Very low	31.1	Very low	90 Å²	90	152.7 Å²	152.7	74%	0.744	80%	0.802	S	S	*	*				69.2	95.1	78.9	0	0	0	0	0	114.5
106	H	30.4	Very low	30	Very low	176 Å²	176	153.7 Å²	153.7	82%	0.815	81%	0.81	S	S	*	*				-170.4	90.7	125.3	-112.6	-124	0	0	0	109.9	Q108	H106-Q108 PolarHBondContact O-N 2.85Å
107	S	26.6	Very low	29.3	Very low	111 Å²	111	152 Å²	152	78%	0.776	81%	0.808	S	S	*	*			trans	-82.1	103.1	166.8	-56.6	0	0	0	0	108.3	L109	S107-L109 PolarHBondContact O-N 3.01Å; S107-L109 VanDerWaalsContact O-N 3.15Å
108	Q	29.6	Very low	29	Very low	167 Å²	167	148.7 Å²	148.7	78%	0.78	80%	0.804	S	S	*	*			trans	-79.3	95.6	165.1	-80.7	-176.3	-25.9	0	0	109	H106 W110	H106-Q108 PolarHBondContact O-N 2.85Å; Q108-W110 PolarHBondContact O-N 2.03Å
109	L	25.3	Very low	28.8	Very low	141 Å²	141	144.7 Å²	144.7	74%	0.738	80%	0.8	S	S	*	*			trans	-60.4	116.7	162.9	-78.5	130.2	0	0	0	109.3	S107 T111	S107-L109 PolarHBondContact O-N 3.01Å; S107-L109 VanDerWaalsContact O-N 3.15Å; L109-T111 PolarHBondContact O-N 3.48Å
110	W	24.1	Very low	28.7	Very low	234 Å²	234	139.8 Å²	139.8	89%	0.886	80%	0.796	S	S	*	*			trans	-80.1	93.1	157	-76.3	91.9	0	0	0	108.3	Q108 Y112	Q108-W110 PolarHBondContact O-N 2.03Å; W110-Y112 PolarHBondContact O-N 2.84Å
111	T	25.4	Very low	28.4	Very low	112 Å²	112	140.2 Å²	140.2	69%	0.687	79%	0.787	S	S	*	*			trans	-73.6	111.7	162.7	43	0	0	0	0	108.6	L109	L109-T111 PolarHBondContact O-N 3.48Å
112	Y	24.7	Very low	28.2	Very low	216 Å²	216	139.9 Å²	139.9	85%	0.847	79%	0.785	S	S	*	*			trans	-65.9	126.9	164.2	-88.5	-85.3	0	0	0	108.9	W110 S114	W110-Y112 PolarHBondContact O-N 2.84Å; Y112-S114 PolarHBondContact O-N 2.84Å
113	P	27.4	Very low	28.2	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	78%	0.78	S	S	*	*			trans	-70.4	117.4	178.4	-6.8	21.1	0	0	0	110	S115	P113-S115 PolarHBondContact O-N 3.46Å
114	S	26.8	Very low	28	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	77%	0.772	S	S	*	*			trans	-84	91.4	157.6	63.1	0	0	0	0	108.5	Y112	Y112-S114 PolarHBondContact O-N 2.84Å
115	S	30.4	Very low	28.1	Very low	99 Å²	99	136.6 Å²	136.6	69%	0.692	77%	0.771	S	S	*	*			trans	-175.4	116.8	159.4	48.5	0	0	0	0	111.5	P113	P113-S115 PolarHBondContact O-N 3.46Å
116	A	27.3	Very low	28.4	Very low	106 Å²	106	138.5 Å²	138.5	88%	0.876	78%	0.779	S	S	*	*			trans	11.5	112.7	140.3	0	0	0	0	0	118
117	A	29.6	Very low	29	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	77%	0.768	S	S	*	*			trans	-154.3	101.4	138.2	0	0	0	0	0	108	P119	A117-P119 WeakPolarHBondContact O-CD 3.35Å
118	T	28.2	Very low	30.1	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-54	122.1	163.6	41.9	0	0	0	0	109.4	A120	T118-A120 PolarHBondContact O-N 2.87Å
119	P	31.8	Very low	31.6	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.9	127.6	165	-7.3	23.9	0	0	0	107.5	A117 Y121	A117-P119 WeakPolarHBondContact O-CD 3.35Å; P119-Y121 PolarHBondContact O-N 2.76Å
120	A	29.8	Very low	33.8	Very low	96 Å²	96	126.1 Å²	126.1	79%	0.793	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-48.5	135.1	178.1	0	0	0	0	0	111.4	T118 D122	T118-A120 PolarHBondContact O-N 2.87Å; A120-D122 PolarHBondContact O-N 3.34Å
121	Y	26	Very low	36.1	Very low	183 Å²	183	117.7 Å²	117.7	72%	0.718	70%	0.696	S	S	*	*			trans	-61.3	96	175.9	-171.9	-99.4	0	0	0	110	P119 R123	P119-Y121 PolarHBondContact O-N 2.76Å; Y121-R123 HydrophobicContact CD1-CB 3.79Å; Y121-R123 HydrophobicContact CD1-CG 4.11Å; Y121-R123 HydrophobicContact CE1-CB 3.62Å; Y121-R123 HydrophobicContact CE1-CG 3.4Å; Y121-R123 PolarHBondContact O-N 2.93Å
122	D	26.7	Very low	37.7	Very low	140 Å²	140	116.2 Å²	116.2	75%	0.749	68%	0.684	S	S	*	*			trans	-81	107.2	164.1	-161.9	-9.2	0	0	0	108.9	A120 S124	A120-D122 PolarHBondContact O-N 3.34Å; D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 3.07Å
123	R	29.3	Very low	39.4	Very low	206 Å²	206	109.8 Å²	109.8	78%	0.777	66%	0.661	S	S	*	*			trans	-89.1	63.3	-173.8	-160.7	-179.9	-144.8	165.2	12	108.4	Y121	Y121-R123 HydrophobicContact CD1-CB 3.79Å; Y121-R123 HydrophobicContact CD1-CG 4.11Å; Y121-R123 HydrophobicContact CE1-CB 3.62Å; Y121-R123 HydrophobicContact CE1-CG 3.4Å; Y121-R123 PolarHBondContact O-N 2.93Å
124	S	30.4	Very low	41.7	Very low	79 Å²	79	106.3 Å²	106.3	55%	0.552	64%	0.637	S	S	*	*			trans	-158.3	142.1	167.8	69.5	0	0	0	0	112.3	D122	D122-S124 VanDerWaalsContact C-N 3.29Å; D122-S124 PolarHBondContact O-N 3.07Å
125	T	32.1	Very low	44	Very low	129 Å²	129	101.5 Å²	101.5	79%	0.791	60%	0.6	S	S	*	*			trans	75.9	107	-179.6	53.1	0	0	0	0	118.7	S127	T125-S127 PolarHBondContact O-N 3.35Å
126	S	35.2	Very low	45.6	Very low	130 Å²	130	97.5 Å²	97.5	91%	0.909	57%	0.571	S	S	*	*			trans	-62.5	63.9	170.6	61.7	0	0	0	0	113.4
127	S	41.4	Very low	47.7	Very low	83 Å²	83	94.3 Å²	94.3	58%	0.58	54%	0.541	S	S	*	.			trans	-82.1	124	179.7	62.7	0	0	0	0	110.9	T125 K129	T125-S127 PolarHBondContact O-N 3.35Å; S127-K129 PolarHBondContact O-N 2.75Å; S127-K129 VanDerWaalsContact O-N 3.08Å
128	A	50.1	Low	50.2	Low	59 Å²	59	90.3 Å²	90.3	49%	0.488	51%	0.506	S	S	.	.			trans	-53.8	115.3	173.1	0	0	0	0	0	109.3	C130	A128-C130 PolarHBondContact O-N 3.46Å
129	K	61.8	Low	52.5	Low	189 Å²	189	84.4 Å²	84.4	82%	0.822	47%	0.47	S	S	*	.			trans	-72.8	101.2	178.3	-71.3	-179	178.7	179.5	0	108.4	S127 T131	S127-K129 PolarHBondContact O-N 2.75Å; S127-K129 VanDerWaalsContact O-N 3.08Å; K129-T131 PolarHBondContact O-N 2.84Å
130	C	70.5	Confident	54.2	Low	3 Å²	3	79.3 Å²	79.3	2%	0.02	44%	0.436	C	S	.	.			trans	-53	139	166.6	-57.9	0	0	0	0	109.7	A128 D134 C202 I206 L207 R209	A128-C130 PolarHBondContact O-N 3.46Å; C130-D134 WeakPolarHBondContact CA-OD2 3.49Å; C130-D134 HydrophobicContact CB-CB 4.15Å; C130-C202 HydrophobicContact CB-CB 4.31Å; C130-C202 WeakPolarHBondContact CB-SG 3.35Å; C130-C202 WeakPolarHBondContact SG-CA 3.49Å; C130-C202 WeakPolarHBondContact SG-CB 3.43Å; C130-C202 CovalentContact SG-SG 2.03Å; C130-C202 PolarHBondContact SG-SG 3.15Å; C130-I206 HydrophobicContact CB-CG2 3.79Å; C130-L207 HydrophobicContact CB-CD2 3.7Å; C130-R209 PolarHBondContact O-NH2 3.11Å
131	T	72.4	Confident	56.7	Low	58 Å²	58	76.6 Å²	76.6	36%	0.356	41%	0.408	S	S	.	.			trans	-98.8	176.1	-178.8	58.9	0	0	0	0	111.3	K129 E133 D134 Y135 Y210	K129-T131 PolarHBondContact O-N 2.84Å; T131-E133 WeakPolarHBondContact CB-OE2 3.3Å; T131-E133 PolarHBondContact O-N 3.42Å; T131-D134 PolarHBondContact N-OD2 3.47Å; T131-D134 PolarHBondContact O-N 2.89Å; T131-D134 VanDerWaalsContact OG1-CG 3.22Å; T131-D134 PolarHBondContact OG1-N 2.73Å; T131-D134 PolarHBondContact OG1-OD2 3.11Å; T131-Y135 PolarHBondContact O-N 3.24Å; T131-Y210 PolarHBondContact O-OH 3.38Å
132	L	60.5	Low	59.3	Low	81 Å²	81	68 Å²	68	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-33.6	171.9	179.4	65.2	0	0	0	110.2	Y135 I136 Y210	L132-Y135 HydrophobicContact CD1-CD1 4.08Å; L132-Y135 WeakPolarHBondContact O-CB 3.48Å; L132-Y135 PolarHBondContact O-N 3.23Å; L132-I136 HydrophobicContact CG-CD1 4.09Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 3.22Å; L132-Y210 HydrophobicContact CB-CE1 4Å; L132-Y210 HydrophobicContact CD1-CD1 3.49Å; L132-Y210 VanDerWaalsContact CD1-CD1 3.49Å; L132-Y210 HydrophobicContact CD1-CE1 3.62Å; L132-Y210 HydrophobicContact CD1-CG 4.21Å; L132-Y210 HydrophobicContact CG-CE1 4.42Å; L132-Y210 PolarHBondContact N-OH 2.99Å; L132-Y210 VanDerWaalsContact N-OH 3.14Å
133	E	59.8	Low	61.5	Low	80 Å²	80	62 Å²	62	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-41.6	174.2	-68.9	67.8	-154.9	0	0	111.9	T131 I136 T137 I301	T131-E133 WeakPolarHBondContact CB-OE2 3.3Å; T131-E133 PolarHBondContact O-N 3.42Å; E133-I136 PolarHBondContact O-N 3.47Å; E133-T137 PolarHBondContact O-N 2.97Å; E133-T137 PolarHBondContact O-OG1 2.91Å; E133-I301 HydrophobicContact CG-CG2 3.82Å
134	D	75.4	Confident	63.4	Low	42 Å²	42	54.1 Å²	54.1	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-43.3	175.5	-67.6	-45.4	0	0	0	111.1	C130 T131 T137 F138 P199 L207	C130-D134 WeakPolarHBondContact CA-OD2 3.49Å; C130-D134 HydrophobicContact CB-CB 4.15Å; T131-D134 PolarHBondContact N-OD2 3.47Å; T131-D134 PolarHBondContact O-N 2.89Å; T131-D134 VanDerWaalsContact OG1-CG 3.22Å; T131-D134 PolarHBondContact OG1-N 2.73Å; T131-D134 PolarHBondContact OG1-OD2 3.11Å; D134-T137 WeakPolarHBondContact O-CB 3.45Å; D134-T137 PolarHBondContact O-N 3.2Å; D134-F138 PolarHBondContact O-N 2.62Å; D134-P199 HydrophobicContact CB-CB 4.04Å; D134-P199 HydrophobicContact CB-CG 3.77Å; D134-P199 WeakPolarHBondContact O-CG 3.37Å; D134-P199 WeakPolarHBondContact OD1-CB 3.27Å; D134-L207 HydrophobicContact CB-CD2 4.46Å
135	Y	75.5	Confident	65.6	Low	18 Å²	18	52 Å²	52	7%	0.071	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-48.5	173.3	168.7	-112.2	0	0	0	112.5	T131 L132 T137 F138 V139 L207 Y210 A211 M227	T131-Y135 PolarHBondContact O-N 3.24Å; L132-Y135 HydrophobicContact CD1-CD1 4.08Å; L132-Y135 WeakPolarHBondContact O-CB 3.48Å; L132-Y135 PolarHBondContact O-N 3.23Å; Y135-T137 VanDerWaalsContact C-N 3.25Å; Y135-T137 PolarHBondContact O-N 3.15Å; Y135-F138 HydrophobicContact CD2-CD1 4.47Å; Y135-F138 WeakPolarHBondContact O-CB 3.36Å; Y135-F138 PolarHBondContact O-N 3.03Å; Y135-F138 VanDerWaalsContact O-N 3.15Å; Y135-V139 HydrophobicContact CD1-CG2 4.38Å; Y135-V139 HydrophobicContact CD2-CG2 3.96Å; Y135-V139 HydrophobicContact CE1-CG2 3.98Å; Y135-V139 HydrophobicContact CE2-CG2 3.48Å; Y135-V139 VanDerWaalsContact CE2-CG2 3.48Å; Y135-V139 HydrophobicContact CG-CG2 4.39Å; Y135-V139 VanDerWaalsContact O-CG2 3.32Å; Y135-V139 WeakPolarHBondContact O-CG2 3.35Å; Y135-V139 PolarHBondContact O-N 2.79Å; Y135-L207 HydrophobicContact CD2-CB 4.18Å; Y135-Y210 HydrophobicContact CD1-CD1 4.49Å; Y135-Y210 HydrophobicContact CD1-CD2 4.19Å; Y135-Y210 AromaticContact CD1-CG 3.8Å; Y135-Y210 HydrophobicContact CD1-CG 3.8Å; Y135-Y210 AromaticContact CD2-CD2 4Å; Y135-Y210 HydrophobicContact CD2-CD2 4Å; Y135-Y210 HydrophobicContact CD2-CG 4.2Å; Y135-Y210 HydrophobicContact CE1-CG 4.35Å; Y135-Y210 AromaticContact CG-CD2 3.59Å; Y135-Y210 HydrophobicContact CG-CD2 3.59Å; Y135-Y210 HydrophobicContact CG-CE2 4.47Å; Y135-Y210 AromaticContact CG-CG 3.68Å; Y135-Y210 HydrophobicContact CG-CG 3.68Å; Y135-Y210 PolarHBondContact OH-O 3.31Å; Y135-A211 HydrophobicContact CE2-CB 3.92Å; Y135-A211 WeakPolarHBondContact OH-CA 3.29Å; Y135-A211 WeakPolarHBondContact OH-CB 3.25Å; Y135-M227 HydrophobicContact CE2-CE 4.36Å
136	I	63.5	Low	67.6	Low	14 Å²	14	47.1 Å²	47.1	7%	0.072	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-39.7	178.8	-69.6	165.5	0	0	0	110.7	L132 E133 V139 Q140 I301	L132-I136 HydrophobicContact CG-CD1 4.09Å; L132-I136 VanDerWaalsContact O-CG1 3.29Å; L132-I136 WeakPolarHBondContact O-CG1 3.43Å; L132-I136 PolarHBondContact O-N 3.22Å; E133-I136 PolarHBondContact O-N 3.47Å; I136-V139 PolarHBondContact O-N 3.27Å; I136-Q140 WeakPolarHBondContact O-CG 3.34Å; I136-Q140 PolarHBondContact O-N 3.2Å; I136-I301 HydrophobicContact CD1-CB 4.25Å; I136-I301 HydrophobicContact CD1-CG2 4.36Å
137	T	71.5	Confident	69.2	Low	40 Å²	40	46.5 Å²	46.5	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176.1	-57.6	0	0	0	0	111.6	E133 D134 Y135 Q140 N141 P199	E133-T137 PolarHBondContact O-N 2.97Å; E133-T137 PolarHBondContact O-OG1 2.91Å; D134-T137 WeakPolarHBondContact O-CB 3.45Å; D134-T137 PolarHBondContact O-N 3.2Å; Y135-T137 VanDerWaalsContact C-N 3.25Å; Y135-T137 PolarHBondContact O-N 3.15Å; T137-Q140 WeakPolarHBondContact O-CB 3.27Å; T137-Q140 PolarHBondContact O-N 2.87Å; T137-N141 PolarHBondContact O-N 2.77Å; T137-N141 PolarHBondContact O-ND2 2.91Å; T137-P199 HydrophobicContact CG2-CG 4.24Å
138	F	81.5	Confident	70.5	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-48.3	176.1	165.7	-117	0	0	0	112.5	D134 Y135 Q140 N141 I142 L198 H204 L207 M227	D134-F138 PolarHBondContact O-N 2.62Å; Y135-F138 HydrophobicContact CD2-CD1 4.47Å; Y135-F138 WeakPolarHBondContact O-CB 3.36Å; Y135-F138 PolarHBondContact O-N 3.03Å; Y135-F138 VanDerWaalsContact O-N 3.15Å; F138-Q140 PolarHBondContact O-N 3.21Å; F138-N141 PolarHBondContact O-N 2.79Å; F138-N141 VanDerWaalsContact O-N 3.11Å; F138-I142 HydrophobicContact CD2-CD1 4.17Å; F138-I142 HydrophobicContact CD2-CG1 4.43Å; F138-I142 HydrophobicContact CE1-CD1 3.87Å; F138-I142 HydrophobicContact CE2-CD1 3.39Å; F138-I142 HydrophobicContact CE2-CG1 3.95Å; F138-I142 HydrophobicContact CZ-CD1 3.2Å; F138-I142 HydrophobicContact CZ-CG1 4.25Å; F138-I142 PolarHBondContact O-N 2.89Å; F138-I142 VanDerWaalsContact O-N 3.13Å; F138-L198 HydrophobicContact CD2-CD2 3.64Å; F138-L198 HydrophobicContact CD2-CG 4.4Å; F138-L198 HydrophobicContact CE2-CD2 3.97Å; F138-L198 HydrophobicContact CG-CD2 4.08Å; F138-H204 AromaticContact CE2-CD2 3.43Å; F138-H204 VanDerWaalsContact CE2-CD2 3.43Å; F138-H204 WeakPolarHBondContact CE2-CD2 3.39Å; F138-H204 AromaticContact CE2-NE2 3.42Å; F138-H204 WeakPolarHBondContact CE2-NE2 3.4Å; F138-H204 AromaticContact CZ-CD2 3.35Å; F138-H204 WeakPolarHBondContact CZ-CD2 3.45Å; F138-H204 AromaticContact CZ-NE2 3.83Å; F138-L207 HydrophobicContact CB-CD1 3.46Å; F138-L207 VanDerWaalsContact CB-CD1 3.46Å; F138-L207 HydrophobicContact CD1-CB 4.21Å; F138-L207 HydrophobicContact CD1-CD1 3.55Å; F138-L207 HydrophobicContact CD2-CD1 4.28Å; F138-L207 HydrophobicContact CE1-CD1 4.34Å; F138-L207 HydrophobicContact CG-CD1 3.5Å; F138-M227 HydrophobicContact CD1-CE 3.71Å; F138-M227 HydrophobicContact CE1-CE 3.29Å; F138-M227 HydrophobicContact CZ-CE 4.07Å
139	V	76.6	Confident	71.5	Confident	13 Å²	13	48.7 Å²	48.7	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-42.7	175.6	171.6	0	0	0	0	111.1	Y135 I136 I142 A143 M227	Y135-V139 HydrophobicContact CD1-CG2 4.38Å; Y135-V139 HydrophobicContact CD2-CG2 3.96Å; Y135-V139 HydrophobicContact CE1-CG2 3.98Å; Y135-V139 HydrophobicContact CE2-CG2 3.48Å; Y135-V139 VanDerWaalsContact CE2-CG2 3.48Å; Y135-V139 HydrophobicContact CG-CG2 4.39Å; Y135-V139 VanDerWaalsContact O-CG2 3.32Å; Y135-V139 WeakPolarHBondContact O-CG2 3.35Å; Y135-V139 PolarHBondContact O-N 2.79Å; I136-V139 PolarHBondContact O-N 3.27Å; V139-I142 PolarHBondContact O-N 3.14Å; V139-A143 WeakPolarHBondContact O-CB 3Å; V139-A143 PolarHBondContact O-N 3.43Å; V139-M227 HydrophobicContact CB-CE 4.37Å; V139-M227 HydrophobicContact CG1-CG 4.31Å; V139-M227 WeakPolarHBondContact CG1-O 3.45Å; V139-M227 HydrophobicContact CG2-CE 3.59Å; V139-M227 HydrophobicContact CG2-CG 3.72Å
140	Q	69.2	Low	71.8	Confident	16 Å²	16	40 Å²	40	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-65.9	-40.2	178.7	-71.6	165.4	21.9	0	0	112.9	I136 T137 F138 I142 A143 Q144 L300 N303 H355	I136-Q140 WeakPolarHBondContact O-CG 3.34Å; I136-Q140 PolarHBondContact O-N 3.2Å; T137-Q140 WeakPolarHBondContact O-CB 3.27Å; T137-Q140 PolarHBondContact O-N 2.87Å; F138-Q140 PolarHBondContact O-N 3.21Å; Q140-I142 VanDerWaalsContact C-N 3.34Å; Q140-A143 PolarHBondContact O-N 3.38Å; Q140-Q144 WeakPolarHBondContact O-CB 3.06Å; Q140-Q144 VanDerWaalsContact O-CG 3.32Å; Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 2.86Å; Q140-L300 PolarHBondContact NE2-O 2.67Å; Q140-N303 HydrophobicContact CG-CB 4.19Å; Q140-N303 PolarHBondContact NE2-ND2 3.48Å; Q140-N303 PolarHBondContact OE1-ND2 3.12Å; Q140-N303 VanDerWaalsContact OE1-ND2 3.1Å; Q140-H355 PolarHBondContact OE1-CE1 2.55Å
141	N	80.6	Confident	71.5	Confident	39 Å²	39	42.8 Å²	42.8	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-42.8	178.2	-70.4	-21.6	0	0	0	111	T137 F138 Q144 N145 M197	T137-N141 PolarHBondContact O-N 2.77Å; T137-N141 PolarHBondContact O-ND2 2.91Å; F138-N141 PolarHBondContact O-N 2.79Å; F138-N141 VanDerWaalsContact O-N 3.11Å; N141-Q144 PolarHBondContact O-N 3.34Å; N141-N145 WeakPolarHBondContact O-CB 3.28Å; N141-N145 PolarHBondContact O-N 2.77Å; N141-M197 HydrophobicContact CB-CB 3.97Å; N141-M197 HydrophobicContact CB-CG 4.45Å; N141-M197 PolarHBondContact ND2-O 3.21Å
142	I	81.7	Confident	71.1	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-49.1	173.3	-64.3	176.9	0	0	0	110.6	F138 V139 Q140 Q144 N145 Y146 T168 M197 F224 M227 L228	F138-I142 HydrophobicContact CD2-CD1 4.17Å; F138-I142 HydrophobicContact CD2-CG1 4.43Å; F138-I142 HydrophobicContact CE1-CD1 3.87Å; F138-I142 HydrophobicContact CE2-CD1 3.39Å; F138-I142 HydrophobicContact CE2-CG1 3.95Å; F138-I142 HydrophobicContact CZ-CD1 3.2Å; F138-I142 HydrophobicContact CZ-CG1 4.25Å; F138-I142 PolarHBondContact O-N 2.89Å; F138-I142 VanDerWaalsContact O-N 3.13Å; V139-I142 PolarHBondContact O-N 3.14Å; Q140-I142 VanDerWaalsContact C-N 3.34Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 3.19Å; I142-N145 PolarHBondContact O-N 2.99Å; I142-N145 VanDerWaalsContact O-N 3.14Å; I142-Y146 WeakPolarHBondContact O-CB 3.41Å; I142-Y146 PolarHBondContact O-N 2.87Å; I142-T168 HydrophobicContact CG2-CG2 4.04Å; I142-M197 HydrophobicContact CG1-SD 4.32Å; I142-F224 HydrophobicContact CG2-CE2 4.48Å; I142-F224 HydrophobicContact CG2-CZ 4.06Å; I142-M227 HydrophobicContact CD1-CE 3.89Å; I142-L228 HydrophobicContact CB-CD2 4.01Å; I142-L228 HydrophobicContact CG2-CD1 4.33Å; I142-L228 HydrophobicContact CG2-CD2 3.64Å
143	A	72.3	Confident	71.1	Confident	14 Å²	14	42.5 Å²	42.5	12%	0.116	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-38.1	-179.2	0	0	0	0	0	112.6	V139 Q140 R147 L228	V139-A143 WeakPolarHBondContact O-CB 3Å; V139-A143 PolarHBondContact O-N 3.43Å; Q140-A143 PolarHBondContact O-N 3.38Å; A143-R147 WeakPolarHBondContact O-CB 3.38Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.33Å; A143-R147 PolarHBondContact O-N 2.69Å; A143-L228 HydrophobicContact CB-CD2 3.97Å
144	Q	70.4	Confident	71	Confident	41 Å²	41	46.9 Å²	46.9	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-41.5	174.7	-76.8	-175.7	4.6	0	0	112	Q140 N141 I142 R147 K148 H355	Q140-Q144 WeakPolarHBondContact O-CB 3.06Å; Q140-Q144 VanDerWaalsContact O-CG 3.32Å; Q140-Q144 WeakPolarHBondContact O-CG 3.38Å; Q140-Q144 PolarHBondContact O-N 2.86Å; N141-Q144 PolarHBondContact O-N 3.34Å; I142-Q144 VanDerWaalsContact C-N 3.3Å; I142-Q144 PolarHBondContact O-N 3.19Å; Q144-R147 PolarHBondContact O-N 2.7Å; Q144-K148 WeakPolarHBondContact O-CB 3.4Å; Q144-K148 PolarHBondContact O-N 3.26Å; Q144-H355 PolarHBondContact NE2-CE1 2.94Å; Q144-H355 PolarHBondContact NE2-NE2 3.39Å
145	N	76.2	Confident	70.2	Confident	33 Å²	33	52.9 Å²	52.9	18%	0.176	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-50.7	175.3	-166.2	40.5	0	0	0	110.3	N141 I142 R147 K148 H149 M197	N141-N145 WeakPolarHBondContact O-CB 3.28Å; N141-N145 PolarHBondContact O-N 2.77Å; I142-N145 PolarHBondContact O-N 2.99Å; I142-N145 VanDerWaalsContact O-N 3.14Å; N145-R147 PolarHBondContact O-N 3.42Å; N145-K148 WeakPolarHBondContact O-CB 3.47Å; N145-K148 PolarHBondContact O-N 2.95Å; N145-K148 VanDerWaalsContact O-N 3.07Å; N145-H149 PolarHBondContact O-CD2 2.98Å; N145-H149 VanDerWaalsContact O-CD2 3.24Å; N145-H149 PolarHBondContact O-N 2.9Å; N145-H149 PolarHBondContact OD1-CD2 2.77Å; N145-H149 PolarHBondContact OD1-NE2 2.88Å; N145-M197 HydrophobicContact CB-CE 4.14Å; N145-M197 WeakPolarHBondContact ND2-CE 3.46Å
146	Y	73.9	Confident	69.3	Low	27 Å²	27	58.1 Å²	58.1	11%	0.106	28%	0.278	C	S	.	.	H	α-helix	trans	-51.7	-50.6	173.9	170.5	-103.2	0	0	0	112.3	I142 K148 H149 A150 D161 L164 L165	I142-Y146 WeakPolarHBondContact O-CB 3.41Å; I142-Y146 PolarHBondContact O-N 2.87Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.1Å; Y146-H149 PolarHBondContact O-N 3.34Å; Y146-A150 WeakPolarHBondContact O-CB 3.4Å; Y146-A150 PolarHBondContact O-N 3.4Å; Y146-D161 PolarHBondContact OH-O 3.17Å; Y146-D161 VanDerWaalsContact OH-O 3.05Å; Y146-L164 HydrophobicContact CD2-CD2 3.96Å; Y146-L164 HydrophobicContact CD2-CG 3.96Å; Y146-L164 HydrophobicContact CE2-CB 3.99Å; Y146-L164 HydrophobicContact CE2-CD2 3.74Å; Y146-L164 HydrophobicContact CE2-CG 3.77Å; Y146-L165 HydrophobicContact CD2-CD1 4.22Å; Y146-L165 HydrophobicContact CE2-CB 3.77Å; Y146-L165 HydrophobicContact CE2-CD1 4.09Å
147	R	69.4	Low	68.5	Low	118 Å²	118	60.6 Å²	60.6	45%	0.445	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-37.7	177.9	-74.4	172.8	-174.2	162.9	3	113	A143 Q144 N145 A150 S151	A143-R147 WeakPolarHBondContact O-CB 3.38Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.33Å; A143-R147 PolarHBondContact O-N 2.69Å; Q144-R147 PolarHBondContact O-N 2.7Å; N145-R147 PolarHBondContact O-N 3.42Å; R147-A150 PolarHBondContact O-N 3.47Å; R147-S151 WeakPolarHBondContact O-CB 3.43Å; R147-S151 PolarHBondContact O-N 3.15Å; R147-S151 PolarHBondContact O-OG 2.87Å
148	K	68.3	Low	67.3	Low	106 Å²	106	62.9 Å²	62.9	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-45.9	176.9	-176.1	-174.3	177.2	-170.3	0	110.6	Q144 N145 Y146 A150 S151 K152	Q144-K148 WeakPolarHBondContact O-CB 3.4Å; Q144-K148 PolarHBondContact O-N 3.26Å; N145-K148 WeakPolarHBondContact O-CB 3.47Å; N145-K148 PolarHBondContact O-N 2.95Å; N145-K148 VanDerWaalsContact O-N 3.07Å; Y146-K148 VanDerWaalsContact C-N 3.32Å; Y146-K148 PolarHBondContact O-N 3.1Å; K148-A150 VanDerWaalsContact C-N 3.34Å; K148-S151 PolarHBondContact O-N 2.78Å; K148-S151 PolarHBondContact O-OG 2.83Å; K148-K152 PolarHBondContact O-N 3.26Å
149	H	71.2	Confident	65.7	Low	81 Å²	81	72 Å²	72	38%	0.375	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-37.7	174.7	-75.9	-91.9	0	0	0	111.8	N145 Y146 K152 A153 L164	N145-H149 PolarHBondContact O-CD2 2.98Å; N145-H149 VanDerWaalsContact O-CD2 3.24Å; N145-H149 PolarHBondContact O-N 2.9Å; N145-H149 PolarHBondContact OD1-CD2 2.77Å; N145-H149 PolarHBondContact OD1-NE2 2.88Å; Y146-H149 PolarHBondContact O-N 3.34Å; H149-K152 PolarHBondContact O-N 3.28Å; H149-A153 WeakPolarHBondContact O-CB 3.35Å; H149-A153 PolarHBondContact O-N 2.91Å; H149-L164 HydrophobicContact CB-CD1 3.81Å; H149-L164 HydrophobicContact CB-CD2 3.94Å; H149-L164 HydrophobicContact CB-CG 4.4Å
150	A	68	Low	65	Low	7 Å²	7	74.7 Å²	74.7	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-43.8	176.9	0	0	0	0	0	111.8	Y146 R147 K148 K152 A153 R154 L164	Y146-A150 WeakPolarHBondContact O-CB 3.4Å; Y146-A150 PolarHBondContact O-N 3.4Å; R147-A150 PolarHBondContact O-N 3.47Å; K148-A150 VanDerWaalsContact C-N 3.34Å; A150-K152 VanDerWaalsContact C-N 3.31Å; A150-K152 PolarHBondContact O-N 3.4Å; A150-A153 PolarHBondContact O-N 2.61Å; A150-R154 WeakPolarHBondContact O-CB 3Å; A150-R154 WeakPolarHBondContact O-CG 3.27Å; A150-R154 PolarHBondContact O-N 2.89Å; A150-L164 HydrophobicContact CB-CD2 3.53Å
151	S	63.1	Low	64.6	Low	61 Å²	61	77.1 Å²	77.1	43%	0.427	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-38	176.9	70.7	0	0	0	0	112.5	R147 K148 Q155	R147-S151 WeakPolarHBondContact O-CB 3.43Å; R147-S151 PolarHBondContact O-N 3.15Å; R147-S151 PolarHBondContact O-OG 2.87Å; K148-S151 PolarHBondContact O-N 2.78Å; K148-S151 PolarHBondContact O-OG 2.83Å; S151-Q155 WeakPolarHBondContact O-CG 3.38Å; S151-Q155 PolarHBondContact O-N 3.35Å
152	K	64.6	Low	64	Low	111 Å²	111	82.7 Å²	82.7	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-69.7	-43.5	174.7	-74.8	-178	174.8	-173.8	0	112	K148 H149 A150 R154 Q155 I156	K148-K152 PolarHBondContact O-N 3.26Å; H149-K152 PolarHBondContact O-N 3.28Å; A150-K152 VanDerWaalsContact C-N 3.31Å; A150-K152 PolarHBondContact O-N 3.4Å; K152-R154 VanDerWaalsContact C-N 3.32Å; K152-R154 PolarHBondContact O-N 2.91Å; K152-Q155 WeakPolarHBondContact O-CB 3.35Å; K152-Q155 PolarHBondContact O-N 2.98Å; K152-Q155 VanDerWaalsContact O-N 3.13Å; K152-I156 WeakPolarHBondContact O-CD1 3.09Å; K152-I156 WeakPolarHBondContact O-CG1 3.02Å; K152-I156 PolarHBondContact O-N 2.98Å
153	A	59.8	Low	63.5	Low	23 Å²	23	90 Å²	90	19%	0.19	44%	0.441	C	S	.	.	H	α-helix	trans	-62.3	-39.7	178.1	0	0	0	0	0	111.9	H149 A150 Q155 I156 G157 T158	H149-A153 WeakPolarHBondContact O-CB 3.35Å; H149-A153 PolarHBondContact O-N 2.91Å; A150-A153 PolarHBondContact O-N 2.61Å; A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 PolarHBondContact O-N 3.14Å; A153-I156 CarbonylContact O-C 3.53Å; A153-I156 WeakPolarHBondContact O-CA 3.44Å; A153-I156 PolarHBondContact O-N 3.05Å; A153-G157 PolarHBondContact O-N 3.23Å; A153-T158 PolarHBondContact O-N 3.18Å; A153-T158 PolarHBondContact O-OG1 3.39Å
154	R	59	Low	63.6	Low	172 Å²	172	90.9 Å²	90.9	65%	0.649	44%	0.443	S	S	*	.	H	α-helix	trans	-61.7	-32.3	173.8	-73.1	176.9	-175.4	-171.2	-0.7	113.1	A150 K152 I156 D161	A150-R154 WeakPolarHBondContact O-CB 3Å; A150-R154 WeakPolarHBondContact O-CG 3.27Å; A150-R154 PolarHBondContact O-N 2.89Å; K152-R154 VanDerWaalsContact C-N 3.32Å; K152-R154 PolarHBondContact O-N 2.91Å; R154-I156 VanDerWaalsContact C-N 3.29Å; R154-D161 IonicContact CZ-OD2 2.76Å; R154-D161 IonicContact NE-OD1 3.12Å; R154-D161 IonicContact NE-OD2 3.91Å; R154-D161 IonicContact NH2-OD1 2.63Å; R154-D161 IonicContact NH2-OD2 2.62Å; R154-D161 PolarHBondContact NH2-OD2 3.34Å
155	Q	57.2	Low	64	Low	168 Å²	168	89.4 Å²	89.4	79%	0.785	44%	0.437	S	S	*	.	H	α-helix	trans	-73.3	-20.7	173.1	-70.8	178.2	-8.7	0	0	113.1	S151 K152 A153	S151-Q155 WeakPolarHBondContact O-CG 3.38Å; S151-Q155 PolarHBondContact O-N 3.35Å; K152-Q155 WeakPolarHBondContact O-CB 3.35Å; K152-Q155 PolarHBondContact O-N 2.98Å; K152-Q155 VanDerWaalsContact O-N 3.13Å; A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 PolarHBondContact O-N 3.14Å
156	I	58.1	Low	64.4	Low	128 Å²	128	95.4 Å²	95.4	66%	0.656	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	0.5	-177.5	-61.3	164.9	0	0	0	111.3	K152 A153 R154 T158	K152-I156 WeakPolarHBondContact O-CD1 3.09Å; K152-I156 WeakPolarHBondContact O-CG1 3.02Å; K152-I156 PolarHBondContact O-N 2.98Å; A153-I156 CarbonylContact O-C 3.53Å; A153-I156 WeakPolarHBondContact O-CA 3.44Å; A153-I156 PolarHBondContact O-N 3.05Å; R154-I156 VanDerWaalsContact C-N 3.29Å; I156-T158 HydrophobicContact CG2-CG2 4.45Å; I156-T158 PolarHBondContact O-N 2.88Å
157	G	45.5	Very low	64.8	Low	65 Å²	65	96.1 Å²	96.1	67%	0.67	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	10.1	177.5	0	0	0	0	0	114.5	A153 Q159	A153-G157 PolarHBondContact O-N 3.23Å; G157-Q159 PolarHBondContact O-N 3.49Å
158	T	46.1	Very low	65.6	Low	88 Å²	88	90.8 Å²	90.8	54%	0.54	45%	0.446	S	S	.	.			trans	-88.8	96.6	176.7	44.2	0	0	0	0	109.8	A153 I156 D160	A153-T158 PolarHBondContact O-N 3.18Å; A153-T158 PolarHBondContact O-OG1 3.39Å; I156-T158 HydrophobicContact CG2-CG2 4.45Å; I156-T158 PolarHBondContact O-N 2.88Å; T158-D160 PolarHBondContact O-N 3.05Å
159	Q	48.7	Very low	66.6	Low	198 Å²	198	86 Å²	86	93%	0.925	43%	0.425	S	S	*	.			trans	-96.5	91	-169.9	-167.8	175	6.5	0	0	111.7	G157	G157-Q159 PolarHBondContact O-N 3.49Å
160	D	62	Low	67.5	Low	70 Å²	70	85.2 Å²	85.2	37%	0.374	43%	0.427	S	S	.	.			trans	-162.7	96.7	149.5	-162.4	-3.8	0	0	0	110.7	T158 R162 K163 L164	T158-D160 PolarHBondContact O-N 3.05Å; D160-R162 PolarHBondContact O-N 3.49Å; D160-R162 WeakPolarHBondContact OD1-CB 3.23Å; D160-R162 PolarHBondContact OD1-N 3.47Å; D160-K163 HydrophobicContact CB-CB 4.2Å; D160-K163 HydrophobicContact CB-CD 4.21Å; D160-K163 HydrophobicContact CB-CG 4.02Å; D160-K163 PolarHBondContact O-N 3.04Å; D160-L164 PolarHBondContact O-N 3.11Å
161	D	60.9	Low	68.4	Low	68 Å²	68	89.3 Å²	89.3	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-53.4	-27	175.7	-77.5	-14.3	0	0	0	111.4	Y146 R154 L164 L165	Y146-D161 PolarHBondContact OH-O 3.17Å; Y146-D161 VanDerWaalsContact OH-O 3.05Å; R154-D161 IonicContact CZ-OD2 2.76Å; R154-D161 IonicContact NE-OD1 3.12Å; R154-D161 IonicContact NE-OD2 3.91Å; R154-D161 IonicContact NH2-OD1 2.63Å; R154-D161 IonicContact NH2-OD2 2.62Å; R154-D161 PolarHBondContact NH2-OD2 3.34Å; D161-L164 PolarHBondContact O-N 2.97Å; D161-L165 PolarHBondContact O-N 3.47Å; D161-L165 VanDerWaalsContact O-N 3.11Å
162	R	67.2	Low	69.6	Low	155 Å²	155	86.7 Å²	86.7	59%	0.585	43%	0.425	S	S	*	.	H	α-helix	trans	-67.7	-38.7	175.6	-67.7	-170.7	167.4	101.6	-1	113.4	D160 L164 L165 R166	D160-R162 PolarHBondContact O-N 3.49Å; D160-R162 WeakPolarHBondContact OD1-CB 3.23Å; D160-R162 PolarHBondContact OD1-N 3.47Å; R162-L164 VanDerWaalsContact C-N 3.3Å; R162-L164 PolarHBondContact O-N 3.23Å; R162-L165 PolarHBondContact O-N 3.01Å; R162-R166 WeakPolarHBondContact O-CB 3.08Å; R162-R166 PolarHBondContact O-N 3.06Å
163	K	71.5	Confident	70.9	Confident	157 Å²	157	81.7 Å²	81.7	68%	0.683	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-38.6	178.3	-77.9	-174.7	-179.1	-178.6	0	111	D160 R166 S167	D160-K163 HydrophobicContact CB-CB 4.2Å; D160-K163 HydrophobicContact CB-CD 4.21Å; D160-K163 HydrophobicContact CB-CG 4.02Å; D160-K163 PolarHBondContact O-N 3.04Å; K163-R166 PolarHBondContact O-N 2.95Å; K163-S167 PolarHBondContact O-N 2.89Å
164	L	74.7	Confident	72.3	Confident	31 Å²	31	86 Å²	86	16%	0.162	42%	0.424	C	S	.	.	H	α-helix	trans	-69.3	-38.3	178.2	-175.4	71.3	0	0	0	112.2	Y146 H149 A150 D160 D161 R162 R166 S167 T168	Y146-L164 HydrophobicContact CD2-CD2 3.96Å; Y146-L164 HydrophobicContact CD2-CG 3.96Å; Y146-L164 HydrophobicContact CE2-CB 3.99Å; Y146-L164 HydrophobicContact CE2-CD2 3.74Å; Y146-L164 HydrophobicContact CE2-CG 3.77Å; H149-L164 HydrophobicContact CB-CD1 3.81Å; H149-L164 HydrophobicContact CB-CD2 3.94Å; H149-L164 HydrophobicContact CB-CG 4.4Å; A150-L164 HydrophobicContact CB-CD2 3.53Å; D160-L164 PolarHBondContact O-N 3.11Å; D161-L164 PolarHBondContact O-N 2.97Å; R162-L164 VanDerWaalsContact C-N 3.3Å; R162-L164 PolarHBondContact O-N 3.23Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.83Å; L164-S167 PolarHBondContact O-N 2.89Å; L164-S167 PolarHBondContact O-OG 3.08Å; L164-T168 PolarHBondContact O-N 3.22Å; L164-T168 PolarHBondContact O-OG1 3.39Å; L164-T168 VanDerWaalsContact O-OG1 3.06Å
165	L	78.7	Confident	73.8	Confident	11 Å²	11	81.9 Å²	81.9	6%	0.058	42%	0.415	C	S	.	.	H	α-helix	trans	-65.5	-42.2	177.5	-177.7	65.7	0	0	0	110.4	Y146 D161 R162 S167 T168 F169 Y221 F224 K225 L228 L230	Y146-L165 HydrophobicContact CD2-CD1 4.22Å; Y146-L165 HydrophobicContact CE2-CB 3.77Å; Y146-L165 HydrophobicContact CE2-CD1 4.09Å; D161-L165 PolarHBondContact O-N 3.47Å; D161-L165 VanDerWaalsContact O-N 3.11Å; R162-L165 PolarHBondContact O-N 3.01Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 3.19Å; L165-T168 PolarHBondContact O-N 1.99Å; L165-F169 PolarHBondContact O-N 2.75Å; L165-F169 VanDerWaalsContact O-N 3.07Å; L165-Y221 HydrophobicContact CG-CE2 4.38Å; L165-F224 HydrophobicContact CD1-CE1 4.13Å; L165-K225 HydrophobicContact CD2-CG 3.79Å; L165-L228 HydrophobicContact CD1-CD1 3.57Å; L165-L230 HydrophobicContact CD1-CD1 3.49Å; L165-L230 VanDerWaalsContact CD1-CD1 3.49Å; L165-L230 HydrophobicContact CD2-CD1 3.35Å; L165-L230 HydrophobicContact CG-CD1 4.03Å
166	R	84.5	Confident	75.3	Confident	159 Å²	159	78.3 Å²	78.3	60%	0.6	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-38	174.7	-157	162.6	-160.5	162.3	5	111.5	R162 K163 L164 T168 F169 T170 Y221	R162-R166 WeakPolarHBondContact O-CB 3.08Å; R162-R166 PolarHBondContact O-N 3.06Å; K163-R166 PolarHBondContact O-N 2.95Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.83Å; R166-T168 PolarHBondContact O-N 2.98Å; R166-F169 PolarHBondContact O-N 3.4Å; R166-T170 WeakPolarHBondContact O-CG2 3.24Å; R166-T170 PolarHBondContact O-N 3.28Å; R166-T170 PolarHBondContact O-OG1 2.9Å; R166-T170 VanDerWaalsContact O-OG1 3.12Å; R166-Y221 HydrophobicContact CB-CE2 4.31Å; R166-Y221 HydrophobicContact CG-CE2 4.25Å
167	S	82.9	Confident	76.8	Confident	42 Å²	42	76.1 Å²	76.1	29%	0.294	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.2	81.6	0	0	0	0	112.1	K163 L164 L165 F169 T170 E171	K163-S167 PolarHBondContact O-N 2.89Å; L164-S167 PolarHBondContact O-N 2.89Å; L164-S167 PolarHBondContact O-OG 3.08Å; L165-S167 VanDerWaalsContact C-N 3.29Å; L165-S167 PolarHBondContact O-N 3.19Å; S167-F169 VanDerWaalsContact C-N 3.32Å; S167-F169 PolarHBondContact O-N 2.83Å; S167-T170 VanDerWaalsContact CA-OG1 3.25Å; S167-T170 WeakPolarHBondContact CA-OG1 3.36Å; S167-T170 PolarHBondContact O-N 2.74Å; S167-T170 PolarHBondContact O-OG1 2.84Å; S167-E171 WeakPolarHBondContact O-CG 3.4Å; S167-E171 PolarHBondContact O-N 2.81Å
168	T	85.4	Confident	79	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-36.6	176.5	-49.1	0	0	0	0	112	I142 L164 L165 R166 F224	I142-T168 HydrophobicContact CG2-CG2 4.04Å; L164-T168 PolarHBondContact O-N 3.22Å; L164-T168 PolarHBondContact O-OG1 3.39Å; L164-T168 VanDerWaalsContact O-OG1 3.06Å; L165-T168 PolarHBondContact O-N 1.99Å; R166-T168 PolarHBondContact O-N 2.98Å; T168-F224 HydrophobicContact CG2-CZ 4.05Å
169	F	89.2	Confident	81.2	Confident	5 Å²	5	73.2 Å²	73.2	2%	0.022	37%	0.369	C	S	.	.	H	α-helix	trans	-66.3	-48.9	173.2	-179.4	-93.5	0	0	0	111.6	L165 R166 S167 E171 Y172 D173 G178 I180 Y221 F224	L165-F169 PolarHBondContact O-N 2.75Å; L165-F169 VanDerWaalsContact O-N 3.07Å; R166-F169 PolarHBondContact O-N 3.4Å; S167-F169 VanDerWaalsContact C-N 3.32Å; S167-F169 PolarHBondContact O-N 2.83Å; F169-E171 PolarHBondContact O-N 2.85Å; F169-Y172 PolarHBondContact O-N 2.78Å; F169-D173 HydrophobicContact CD1-CB 4.07Å; F169-D173 HydrophobicContact CE1-CB 3.75Å; F169-D173 HydrophobicContact CZ-CB 4.42Å; F169-D173 PolarHBondContact O-N 2.89Å; F169-G178 WeakPolarHBondContact CZ-O 3.35Å; F169-I180 HydrophobicContact CD2-CD1 3.7Å; F169-I180 HydrophobicContact CD2-CG1 4.36Å; F169-I180 HydrophobicContact CE2-CD1 3.52Å; F169-I180 HydrophobicContact CE2-CG1 3.8Å; F169-I180 HydrophobicContact CG-CD1 4.46Å; F169-I180 HydrophobicContact CZ-CD1 4.14Å; F169-I180 HydrophobicContact CZ-CG1 3.91Å; F169-Y221 HydrophobicContact CB-CD2 3.85Å; F169-Y221 HydrophobicContact CB-CE2 4.04Å; F169-Y221 HydrophobicContact CD1-CD2 4.04Å; F169-Y221 AromaticContact CD2-CD2 3.95Å; F169-Y221 HydrophobicContact CD2-CD2 3.95Å; F169-Y221 AromaticContact CG-CD2 3.67Å; F169-Y221 HydrophobicContact CG-CD2 3.67Å; F169-Y221 HydrophobicContact CG-CE2 4.37Å; F169-F224 HydrophobicContact CB-CD1 4.01Å; F169-F224 HydrophobicContact CB-CE1 4.01Å; F169-F224 HydrophobicContact CD2-CB 3.64Å; F169-F224 AromaticContact CD2-CD1 3.83Å; F169-F224 HydrophobicContact CD2-CD1 3.83Å; F169-F224 HydrophobicContact CD2-CD2 4.05Å; F169-F224 HydrophobicContact CD2-CE1 4.47Å; F169-F224 AromaticContact CD2-CG 3.59Å; F169-F224 HydrophobicContact CD2-CG 3.59Å; F169-F224 HydrophobicContact CE2-CB 3.94Å; F169-F224 HydrophobicContact CE2-CG 4.32Å; F169-F224 HydrophobicContact CG-CD1 4.41Å
170	T	89.6	Confident	83.2	Confident	66 Å²	66	63.8 Å²	63.8	41%	0.405	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-20.1	179.5	54.2	0	0	0	0	113.7	R166 S167 Y172	R166-T170 WeakPolarHBondContact O-CG2 3.24Å; R166-T170 PolarHBondContact O-N 3.28Å; R166-T170 PolarHBondContact O-OG1 2.9Å; R166-T170 VanDerWaalsContact O-OG1 3.12Å; S167-T170 VanDerWaalsContact CA-OG1 3.25Å; S167-T170 WeakPolarHBondContact CA-OG1 3.36Å; S167-T170 PolarHBondContact O-N 2.74Å; S167-T170 PolarHBondContact O-OG1 2.84Å; T170-Y172 PolarHBondContact O-N 3.45Å
171	E	87.4	Confident	84.6	Confident	92 Å²	92	61.1 Å²	61.1	43%	0.43	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.2	170.6	-79.8	169.6	-152	0	0	110.9	S167 F169 K194	S167-E171 WeakPolarHBondContact O-CG 3.4Å; S167-E171 PolarHBondContact O-N 2.81Å; F169-E171 PolarHBondContact O-N 2.85Å; E171-K194 WeakPolarHBondContact O-CE 3.48Å; E171-K194 PolarHBondContact O-NZ 2.97Å
172	Y	89.4	Confident	85.9	Confident	6 Å²	6	63.6 Å²	63.6	2%	0.024	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-37.4	177.9	-77.3	-93.9	0	0	0	113.8	F169 T170 N174 I180 F185 A188 K194 H204	F169-Y172 PolarHBondContact O-N 2.78Å; T170-Y172 PolarHBondContact O-N 3.45Å; Y172-N174 PolarHBondContact O-N 2.79Å; Y172-I180 HydrophobicContact CG-CD1 4.39Å; Y172-F185 HydrophobicContact CD1-CD1 4.15Å; Y172-F185 HydrophobicContact CD1-CE1 4.03Å; Y172-F185 HydrophobicContact CE1-CE1 4.45Å; Y172-A188 HydrophobicContact CD1-CB 3.86Å; Y172-A188 HydrophobicContact CE1-CB 3.75Å; Y172-K194 HydrophobicContact CD1-CD 4.2Å; Y172-K194 HydrophobicContact CE1-CD 3.74Å; Y172-K194 HydrophobicContact CE1-CG 4.48Å; Y172-K194 HydrophobicContact CE2-CD 4.34Å; Y172-H204 AromaticContact CE1-CD2 3.64Å; Y172-H204 AromaticContact CE1-NE2 3.44Å; Y172-H204 WeakPolarHBondContact CE1-NE2 3.35Å; Y172-H204 AromaticContact CZ-NE2 3.82Å; Y172-H204 PolarHBondContact OH-NE2 3.15Å
173	D	91.8	Very high	87	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	32%	0.322	C	S	.	.			trans	-75.8	85.5	175.4	172.5	12.6	0	0	0	109.9	F169 N175 S176 D177 G178 I180 E184	F169-D173 HydrophobicContact CD1-CB 4.07Å; F169-D173 HydrophobicContact CE1-CB 3.75Å; F169-D173 HydrophobicContact CZ-CB 4.42Å; F169-D173 PolarHBondContact O-N 2.89Å; D173-N175 PolarHBondContact OD1-OD1 2.88Å; D173-N175 VanDerWaalsContact OD1-OD1 3.08Å; D173-S176 WeakPolarHBondContact OD1-CA 3.34Å; D173-S176 PolarHBondContact OD1-N 3.11Å; D173-S176 WeakPolarHBondContact OD2-CA 3.49Å; D173-D177 PolarHBondContact OD1-N 3.44Å; D173-D177 VanDerWaalsContact OD1-N 3.17Å; D173-G178 WeakPolarHBondContact OD2-CA 3.32Å; D173-G178 PolarHBondContact OD2-N 2.92Å; D173-G178 VanDerWaalsContact OD2-N 3.12Å; D173-I180 HydrophobicContact CB-CG1 4.13Å; D173-E184 WeakPolarHBondContact CA-OE1 3.24Å
174	N	88.6	Confident	88	Confident	113 Å²	113	55.6 Å²	55.6	60%	0.604	29%	0.291	S	S	*	.	S	Bend	trans	-79.2	-25.1	-171.3	-178.2	84	0	0	0	112.1	Y172 E184	Y172-N174 PolarHBondContact O-N 2.79Å; N174-E184 HydrophobicContact CB-CG 4.27Å; N174-E184 PolarHBondContact N-OE1 2.86Å
175	N	89.6	Confident	88.8	Confident	86 Å²	86	54.5 Å²	54.5	46%	0.46	29%	0.285	S	S	.	.	S	Bend	trans	-95.6	-4.9	175.9	71	1.9	0	0	0	113	D173 D177 E184	D173-N175 PolarHBondContact OD1-OD1 2.88Å; D173-N175 VanDerWaalsContact OD1-OD1 3.08Å; N175-D177 VanDerWaalsContact ND2-CG 3.34Å; N175-D177 PolarHBondContact ND2-OD2 2.89Å; N175-D177 PolarHBondContact O-N 3.23Å; N175-D177 WeakPolarHBondContact OD1-CB 2.93Å; N175-D177 PolarHBondContact OD1-N 3.48Å; N175-D177 PolarHBondContact OD1-OD1 2.92Å; N175-D177 PolarHBondContact OD1-OD2 3.31Å; N175-E184 PolarHBondContact N-OE1 2.96Å; N175-E184 VanDerWaalsContact N-OE1 3.16Å; N175-E184 PolarHBondContact OD1-OE1 3.36Å
176	S	88.8	Confident	89.2	Confident	92 Å²	92	55.9 Å²	55.9	64%	0.643	30%	0.298	S	S	*	.			trans	59.3	30.7	179.6	-57.1	0	0	0	0	113.6	D173 G178	D173-S176 WeakPolarHBondContact OD1-CA 3.34Å; D173-S176 PolarHBondContact OD1-N 3.11Å; D173-S176 WeakPolarHBondContact OD2-CA 3.49Å; S176-G178 VanDerWaalsContact C-N 3.29Å
177	D	91	Very high	89.5	Confident	82 Å²	82	51.5 Å²	51.5	44%	0.439	29%	0.286	S	S	.	.	S	Bend	trans	-83.7	-6.8	177.3	74.5	11.3	0	0	0	113	D173 N175 E179	D173-D177 PolarHBondContact OD1-N 3.44Å; D173-D177 VanDerWaalsContact OD1-N 3.17Å; N175-D177 VanDerWaalsContact ND2-CG 3.34Å; N175-D177 PolarHBondContact ND2-OD2 2.89Å; N175-D177 PolarHBondContact O-N 3.23Å; N175-D177 WeakPolarHBondContact OD1-CB 2.93Å; N175-D177 PolarHBondContact OD1-N 3.48Å; N175-D177 PolarHBondContact OD1-OD1 2.92Å; N175-D177 PolarHBondContact OD1-OD2 3.31Å; D177-E179 PolarHBondContact OD1-N 2.88Å
178	G	90	Very high	89.8	Confident	32 Å²	32	49.5 Å²	49.5	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	90	4.7	178.5	0	0	0	0	0	114.5	F169 D173 S176	F169-G178 WeakPolarHBondContact CZ-O 3.35Å; D173-G178 WeakPolarHBondContact OD2-CA 3.32Å; D173-G178 PolarHBondContact OD2-N 2.92Å; D173-G178 VanDerWaalsContact OD2-N 3.12Å; S176-G178 VanDerWaalsContact C-N 3.29Å
179	E	92.6	Very high	90	Very high	60 Å²	60	50.2 Å²	50.2	28%	0.28	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.3	178.9	-61.1	176	159.8	0	0	109.7	D177 E184 K218	D177-E179 PolarHBondContact OD1-N 2.88Å; E179-E184 VanDerWaalsContact O-OE2 3.13Å; E179-K218 HydrophobicContact CB-CB 4.32Å; E179-K218 HydrophobicContact CB-CD 4.08Å; E179-K218 HydrophobicContact CG-CD 4.48Å; E179-K218 WeakPolarHBondContact OE2-CD 3.39Å; E179-K218 WeakPolarHBondContact OE2-CE 3.2Å; E179-K218 IonicContact OE2-NZ 3.35Å; E179-K218 PolarHBondContact OE2-NZ 3.27Å
180	I	91.8	Very high	90	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.2	174.1	-53.5	160.6	0	0	0	109.2	F169 Y172 D173 E184 F185 L219 F224	F169-I180 HydrophobicContact CD2-CD1 3.7Å; F169-I180 HydrophobicContact CD2-CG1 4.36Å; F169-I180 HydrophobicContact CE2-CD1 3.52Å; F169-I180 HydrophobicContact CE2-CG1 3.8Å; F169-I180 HydrophobicContact CG-CD1 4.46Å; F169-I180 HydrophobicContact CZ-CD1 4.14Å; F169-I180 HydrophobicContact CZ-CG1 3.91Å; Y172-I180 HydrophobicContact CG-CD1 4.39Å; D173-I180 HydrophobicContact CB-CG1 4.13Å; I180-E184 HydrophobicContact CG2-CB 4.09Å; I180-F185 HydrophobicContact CB-CE1 4.41Å; I180-F185 HydrophobicContact CB-CE2 4.24Å; I180-F185 HydrophobicContact CB-CZ 3.96Å; I180-F185 HydrophobicContact CG2-CD1 3.79Å; I180-F185 HydrophobicContact CG2-CD2 4.04Å; I180-F185 HydrophobicContact CG2-CE1 3.46Å; I180-F185 VanDerWaalsContact CG2-CE1 3.46Å; I180-F185 HydrophobicContact CG2-CE2 3.67Å; I180-F185 HydrophobicContact CG2-CG 4.09Å; I180-F185 HydrophobicContact CG2-CZ 3.4Å; I180-F185 VanDerWaalsContact CG2-CZ 3.4Å; I180-L219 HydrophobicContact CB-CB 4.24Å; I180-L219 HydrophobicContact CD1-CD2 4.35Å; I180-L219 PolarHBondContact N-O 2.62Å; I180-L219 PolarHBondContact O-N 3.49Å; I180-F224 HydrophobicContact CD1-CD2 4.45Å
181	S	91.5	Very high	90	Very high	14 Å²	14	60.4 Å²	60.4	10%	0.098	31%	0.312	C	S	.	.			trans	-83.4	165.8	-179.1	65.3	0	0	0	0	113.5	Q183 E184 F185	S181-Q183 PolarHBondContact O-N 2.94Å; S181-E184 WeakPolarHBondContact CB-OE2 3.48Å; S181-E184 PolarHBondContact N-OE2 2.6Å; S181-E184 PolarHBondContact O-N 2.85Å; S181-E184 VanDerWaalsContact O-N 3.14Å; S181-E184 WeakPolarHBondContact OG-CG 3.38Å; S181-E184 PolarHBondContact OG-N 2.99Å; S181-E184 PolarHBondContact OG-OE2 2.9Å; S181-F185 WeakPolarHBondContact O-CD2 3.46Å; S181-F185 PolarHBondContact O-N 3.07Å
182	K	88.4	Confident	89.9	Confident	120 Å²	120	61 Å²	61	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-55.1	-35.6	171.2	-71.1	-178.5	-178.7	173.1	0	112.6	A186 L208	K182-A186 PolarHBondContact O-N 3.48Å; K182-L208 HydrophobicContact CG-CD2 4.34Å
183	Q	89.6	Confident	89.7	Confident	137 Å²	137	68.3 Å²	68.3	64%	0.64	36%	0.359	S	S	*	.	H	α-helix	trans	-66.1	-41.9	178.6	-69.3	81.7	-7.9	0	0	111.3	S181 A186 I187	S181-Q183 PolarHBondContact O-N 2.94Å; Q183-A186 WeakPolarHBondContact O-CB 3.39Å; Q183-A186 PolarHBondContact O-N 2.81Å; Q183-I187 WeakPolarHBondContact O-CG1 3.42Å; Q183-I187 PolarHBondContact O-N 2.76Å; Q183-I187 VanDerWaalsContact O-N 3.1Å
184	E	92.6	Very high	89.4	Confident	7 Å²	7	69.1 Å²	69.1	3%	0.033	36%	0.361	C	S	.	.	H	α-helix	trans	-71.1	-35.6	178.5	-69.5	168.4	116.5	0	0	112.3	D173 N174 N175 E179 I180 S181 A186 I187 A188	D173-E184 WeakPolarHBondContact CA-OE1 3.24Å; N174-E184 HydrophobicContact CB-CG 4.27Å; N174-E184 PolarHBondContact N-OE1 2.86Å; N175-E184 PolarHBondContact N-OE1 2.96Å; N175-E184 VanDerWaalsContact N-OE1 3.16Å; N175-E184 PolarHBondContact OD1-OE1 3.36Å; E179-E184 VanDerWaalsContact O-OE2 3.13Å; I180-E184 HydrophobicContact CG2-CB 4.09Å; S181-E184 WeakPolarHBondContact CB-OE2 3.48Å; S181-E184 PolarHBondContact N-OE2 2.6Å; S181-E184 PolarHBondContact O-N 2.85Å; S181-E184 VanDerWaalsContact O-N 3.14Å; S181-E184 WeakPolarHBondContact OG-CG 3.38Å; S181-E184 PolarHBondContact OG-N 2.99Å; S181-E184 PolarHBondContact OG-OE2 2.9Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 2.62Å; E184-I187 WeakPolarHBondContact O-CB 3.17Å; E184-I187 PolarHBondContact O-N 3.47Å; E184-I187 VanDerWaalsContact O-N 3.16Å; E184-A188 PolarHBondContact O-N 3.37Å
185	F	90.6	Very high	89.2	Confident	8 Å²	8	69.7 Å²	69.7	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-39.1	168.7	-78	-42.7	0	0	0	112.9	Y172 I180 S181 I187 A188 D189 H204 L208 L219	Y172-F185 HydrophobicContact CD1-CD1 4.15Å; Y172-F185 HydrophobicContact CD1-CE1 4.03Å; Y172-F185 HydrophobicContact CE1-CE1 4.45Å; I180-F185 HydrophobicContact CB-CE1 4.41Å; I180-F185 HydrophobicContact CB-CE2 4.24Å; I180-F185 HydrophobicContact CB-CZ 3.96Å; I180-F185 HydrophobicContact CG2-CD1 3.79Å; I180-F185 HydrophobicContact CG2-CD2 4.04Å; I180-F185 HydrophobicContact CG2-CE1 3.46Å; I180-F185 VanDerWaalsContact CG2-CE1 3.46Å; I180-F185 HydrophobicContact CG2-CE2 3.67Å; I180-F185 HydrophobicContact CG2-CG 4.09Å; I180-F185 HydrophobicContact CG2-CZ 3.4Å; I180-F185 VanDerWaalsContact CG2-CZ 3.4Å; S181-F185 WeakPolarHBondContact O-CD2 3.46Å; S181-F185 PolarHBondContact O-N 3.07Å; F185-I187 VanDerWaalsContact C-N 3.27Å; F185-I187 PolarHBondContact O-N 2.9Å; F185-A188 WeakPolarHBondContact O-CB 3.19Å; F185-A188 PolarHBondContact O-N 2.81Å; F185-A188 VanDerWaalsContact O-N 3.15Å; F185-D189 PolarHBondContact O-N 2.77Å; F185-H204 HydrophobicContact CB-CB 3.61Å; F185-H204 HydrophobicContact CD1-CB 3.37Å; F185-H204 AromaticContact CD1-CG 3.92Å; F185-H204 HydrophobicContact CE1-CB 4.19Å; F185-H204 HydrophobicContact CG-CB 3.61Å; F185-L208 HydrophobicContact CD2-CB 4.49Å; F185-L208 HydrophobicContact CD2-CD2 4.12Å; F185-L208 HydrophobicContact CE2-CB 4.15Å; F185-L208 HydrophobicContact CE2-CD1 3.63Å; F185-L208 HydrophobicContact CE2-CD2 3.87Å; F185-L208 HydrophobicContact CE2-CG 4.08Å; F185-L208 HydrophobicContact CZ-CD1 4.23Å; F185-L219 HydrophobicContact CZ-CB 4.44Å; F185-L219 HydrophobicContact CZ-CD2 4.28Å
186	A	88.5	Confident	88.9	Confident	41 Å²	41	70 Å²	70	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-30.4	173.9	0	0	0	0	0	112.6	K182 Q183 E184	K182-A186 PolarHBondContact O-N 3.48Å; Q183-A186 WeakPolarHBondContact O-CB 3.39Å; Q183-A186 PolarHBondContact O-N 2.81Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 2.62Å
187	I	90.2	Very high	88.6	Confident	67 Å²	67	67 Å²	67	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-69.5	-45.4	170.6	-63.6	167.4	0	0	0	109.8	Q183 E184 F185 D189 R190	Q183-I187 WeakPolarHBondContact O-CG1 3.42Å; Q183-I187 PolarHBondContact O-N 2.76Å; Q183-I187 VanDerWaalsContact O-N 3.1Å; E184-I187 WeakPolarHBondContact O-CB 3.17Å; E184-I187 PolarHBondContact O-N 3.47Å; E184-I187 VanDerWaalsContact O-N 3.16Å; F185-I187 VanDerWaalsContact C-N 3.27Å; F185-I187 PolarHBondContact O-N 2.9Å; I187-D189 VanDerWaalsContact C-N 3.3Å; I187-D189 PolarHBondContact O-N 2.81Å; I187-R190 WeakPolarHBondContact O-CB 3.43Å; I187-R190 PolarHBondContact O-N 2.85Å
188	A	89.8	Confident	88.3	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-38.8	176.9	0	0	0	0	0	113	Y172 E184 F185 R190 L191 K194	Y172-A188 HydrophobicContact CD1-CB 3.86Å; Y172-A188 HydrophobicContact CE1-CB 3.75Å; E184-A188 PolarHBondContact O-N 3.37Å; F185-A188 WeakPolarHBondContact O-CB 3.19Å; F185-A188 PolarHBondContact O-N 2.81Å; F185-A188 VanDerWaalsContact O-N 3.15Å; A188-R190 PolarHBondContact O-N 2.88Å; A188-R190 VanDerWaalsContact O-N 3.14Å; A188-L191 PolarHBondContact O-N 2.76Å; A188-K194 HydrophobicContact CB-CB 4.42Å; A188-K194 HydrophobicContact CB-CD 3.52Å
189	D	89.6	Confident	87.7	Confident	20 Å²	20	63.2 Å²	63.2	11%	0.107	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	176	-76.9	-25.9	0	0	0	114	F185 I187 K195 L198 R203 H204	F185-D189 PolarHBondContact O-N 2.77Å; I187-D189 VanDerWaalsContact C-N 3.3Å; I187-D189 PolarHBondContact O-N 2.81Å; D189-K195 WeakPolarHBondContact O-CD 3.44Å; D189-L198 VanDerWaalsContact OD1-CD1 3.24Å; D189-L198 WeakPolarHBondContact OD1-CD1 3.32Å; D189-R203 WeakPolarHBondContact OD2-CB 3.46Å; D189-H204 IonicContact OD1-CE1 2.75Å; D189-H204 IonicContact OD1-CG 2.87Å; D189-H204 PolarHBondContact OD1-N 2.83Å; D189-H204 VanDerWaalsContact OD1-N 3.08Å; D189-H204 IonicContact OD1-ND1 3.99Å; D189-H204 PolarHBondContact OD1-ND1 2.94Å; D189-H204 PolarHBondContact OD2-N 2.82Å
190	R	88.9	Confident	86.9	Confident	204 Å²	204	65.4 Å²	65.4	77%	0.77	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.7	176.4	-62.6	174.1	-174.4	177.3	1.2	112.9	I187 A188	I187-R190 WeakPolarHBondContact O-CB 3.43Å; I187-R190 PolarHBondContact O-N 2.85Å; A188-R190 PolarHBondContact O-N 2.88Å; A188-R190 VanDerWaalsContact O-N 3.14Å
191	L	88.5	Confident	86.2	Confident	80 Å²	80	68.2 Å²	68.2	42%	0.419	37%	0.374	S	S	.	.	S	Bend	trans	-86.6	121	-179.4	-65.9	174.1	0	0	0	110.2	A188 E193 K194 K195	A188-L191 PolarHBondContact O-N 2.76Å; L191-E193 VanDerWaalsContact C-N 3.29Å; L191-E193 PolarHBondContact O-N 2.64Å; L191-K194 HydrophobicContact CB-CB 4.34Å; L191-K194 HydrophobicContact CB-CD 4.45Å; L191-K194 HydrophobicContact CB-CG 4.35Å; L191-K194 HydrophobicContact CD1-CD 3.99Å; L191-K194 PolarHBondContact O-N 3.46Å; L191-K195 WeakPolarHBondContact O-CB 3.22Å; L191-K195 PolarHBondContact O-N 3.12Å
192	P	85.2	Confident	85.8	Confident	105 Å²	105	68.1 Å²	68.1	68%	0.682	37%	0.373	S	S	*	.	H	α-helix	trans	-56.3	-40.1	-176	-27.3	34.7	0	0	0	114	S196	P192-S196 WeakPolarHBondContact O-CB 3.41Å; P192-S196 PolarHBondContact O-N 3.31Å
193	E	85.2	Confident	85.8	Confident	160 Å²	160	68.7 Å²	68.7	75%	0.748	37%	0.372	S	S	*	.	H	α-helix	trans	-63.8	-44.3	-179.4	-62.4	-172.5	164.3	0	0	111.8	L191 S196	L191-E193 VanDerWaalsContact C-N 3.29Å; L191-E193 PolarHBondContact O-N 2.64Å; E193-S196 PolarHBondContact O-OG 3.09Å
194	K	86	Confident	85.7	Confident	23 Å²	23	62.2 Å²	62.2	10%	0.1	34%	0.342	C	S	.	.	H	α-helix	trans	-74.6	-40.4	178.2	-63.6	-172.6	-177.8	-178.1	0	112.3	E171 Y172 A188 L191 S196 M197	E171-K194 WeakPolarHBondContact O-CE 3.48Å; E171-K194 PolarHBondContact O-NZ 2.97Å; Y172-K194 HydrophobicContact CD1-CD 4.2Å; Y172-K194 HydrophobicContact CE1-CD 3.74Å; Y172-K194 HydrophobicContact CE1-CG 4.48Å; Y172-K194 HydrophobicContact CE2-CD 4.34Å; A188-K194 HydrophobicContact CB-CB 4.42Å; A188-K194 HydrophobicContact CB-CD 3.52Å; L191-K194 HydrophobicContact CB-CB 4.34Å; L191-K194 HydrophobicContact CB-CD 4.45Å; L191-K194 HydrophobicContact CB-CG 4.35Å; L191-K194 HydrophobicContact CD1-CD 3.99Å; L191-K194 PolarHBondContact O-N 3.46Å; K194-S196 PolarHBondContact O-N 3.1Å; K194-M197 WeakPolarHBondContact O-CB 2.84Å; K194-M197 PolarHBondContact O-N 2.99Å
195	K	84.7	Confident	85.2	Confident	126 Å²	126	63.8 Å²	63.8	55%	0.548	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-33.8	175	-167.1	174.8	-163.2	154.2	0	111.9	D189 L191 M197 L198	D189-K195 WeakPolarHBondContact O-CD 3.44Å; L191-K195 WeakPolarHBondContact O-CB 3.22Å; L191-K195 PolarHBondContact O-N 3.12Å; K195-M197 PolarHBondContact O-N 2.89Å; K195-L198 PolarHBondContact O-N 2.69Å; K195-L198 VanDerWaalsContact O-N 3.15Å
196	S	83.7	Confident	84.7	Confident	92 Å²	92	64.9 Å²	64.9	64%	0.643	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.8	175.4	80.3	0	0	0	0	114	P192 E193 K194	P192-S196 WeakPolarHBondContact O-CB 3.41Å; P192-S196 PolarHBondContact O-N 3.31Å; E193-S196 PolarHBondContact O-OG 3.09Å; K194-S196 PolarHBondContact O-N 3.1Å
197	M	82.7	Confident	84	Confident	29 Å²	29	63 Å²	63	14%	0.143	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-11.5	175.4	-57.1	-174.9	-169.9	0	0	113	N141 I142 N145 K194 K195	N141-M197 HydrophobicContact CB-CB 3.97Å; N141-M197 HydrophobicContact CB-CG 4.45Å; N141-M197 PolarHBondContact ND2-O 3.21Å; I142-M197 HydrophobicContact CG1-SD 4.32Å; N145-M197 HydrophobicContact CB-CE 4.14Å; N145-M197 WeakPolarHBondContact ND2-CE 3.46Å; K194-M197 WeakPolarHBondContact O-CB 2.84Å; K194-M197 PolarHBondContact O-N 2.99Å; K195-M197 PolarHBondContact O-N 2.89Å
198	L	83.6	Confident	83.4	Confident	18 Å²	18	60.1 Å²	60.1	9%	0.094	33%	0.326	C	S	.	.	S	Bend	trans	-87.1	146.7	177.6	-73.3	172.2	0	0	0	112	F138 D189 K195 H204 L207	F138-L198 HydrophobicContact CD2-CD2 3.64Å; F138-L198 HydrophobicContact CD2-CG 4.4Å; F138-L198 HydrophobicContact CE2-CD2 3.97Å; F138-L198 HydrophobicContact CG-CD2 4.08Å; D189-L198 VanDerWaalsContact OD1-CD1 3.24Å; D189-L198 WeakPolarHBondContact OD1-CD1 3.32Å; K195-L198 PolarHBondContact O-N 2.69Å; K195-L198 VanDerWaalsContact O-N 3.15Å; L198-H204 VanDerWaalsContact CD1-CE1 3.46Å; L198-H204 WeakPolarHBondContact CD1-CE1 3.43Å; L198-H204 VanDerWaalsContact CD1-ND1 3.31Å; L198-H204 WeakPolarHBondContact CD1-ND1 2.81Å; L198-L207 HydrophobicContact CD2-CD1 3.4Å; L198-L207 VanDerWaalsContact CD2-CD1 3.4Å; L198-L207 HydrophobicContact CD2-CG 4.45Å
199	P	78.5	Confident	82.6	Confident	17 Å²	17	66.7 Å²	66.7	11%	0.11	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-57.2	152.5	163.9	-23.7	35	0	0	0	112.1	D134 T137 G201 C202	D134-P199 HydrophobicContact CB-CB 4.04Å; D134-P199 HydrophobicContact CB-CG 3.77Å; D134-P199 WeakPolarHBondContact O-CG 3.37Å; D134-P199 WeakPolarHBondContact OD1-CB 3.27Å; T137-P199 HydrophobicContact CG2-CG 4.24Å; P199-G201 PolarHBondContact O-N 2.99Å; P199-C202 HydrophobicContact CB-CB 4.4Å; P199-C202 WeakPolarHBondContact O-CB 3.49Å; P199-C202 PolarHBondContact O-N 3.11Å; P199-C202 VanDerWaalsContact O-N 3.09Å
200	A	75.2	Confident	81.9	Confident	106 Å²	106	69 Å²	69	88%	0.876	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	127.6	-177.7	0	0	0	0	0	111.4	C202	A200-C202 VanDerWaalsContact C-N 3.3Å
201	G	77.6	Confident	81.3	Confident	58 Å²	58	59.4 Å²	59.4	60%	0.598	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-1.9	-179.5	0	0	0	0	0	114.9	P199	P199-G201 PolarHBondContact O-N 2.99Å
202	C	83.5	Confident	81	Confident	13 Å²	13	56.8 Å²	56.8	9%	0.088	31%	0.309	C	S	.	.			trans	-88.3	159.2	176.9	-75.1	0	0	0	0	113.9	C130 P199 A200	C130-C202 HydrophobicContact CB-CB 4.31Å; C130-C202 WeakPolarHBondContact CB-SG 3.35Å; C130-C202 WeakPolarHBondContact SG-CA 3.49Å; C130-C202 WeakPolarHBondContact SG-CB 3.43Å; C130-C202 CovalentContact SG-SG 2.03Å; C130-C202 PolarHBondContact SG-SG 3.15Å; P199-C202 HydrophobicContact CB-CB 4.4Å; P199-C202 WeakPolarHBondContact O-CB 3.49Å; P199-C202 PolarHBondContact O-N 3.11Å; P199-C202 VanDerWaalsContact O-N 3.09Å; A200-C202 VanDerWaalsContact C-N 3.3Å
203	R	87.8	Confident	80.5	Confident	131 Å²	131	56.5 Å²	56.5	49%	0.494	30%	0.3	S	S	.	.			trans	-125.7	150.1	169.6	-63.2	-164	-46.6	-146.7	2.1	109	D189 D205 I206	D189-R203 WeakPolarHBondContact OD2-CB 3.46Å; R203-D205 VanDerWaalsContact C-N 3.27Å; R203-D205 WeakPolarHBondContact CB-OD1 3.25Å; R203-D205 IonicContact CZ-OD1 3.68Å; R203-D205 IonicContact CZ-OD2 2.71Å; R203-D205 IonicContact NE-OD1 3.88Å; R203-D205 PolarHBondContact NE-OD1 3.37Å; R203-D205 IonicContact NE-OD2 3.79Å; R203-D205 IonicContact NH2-OD1 3.79Å; R203-D205 PolarHBondContact NH2-OD1 3.45Å; R203-D205 IonicContact NH2-OD2 3.5Å; R203-D205 PolarHBondContact NH2-OD2 3.13Å; R203-D205 PolarHBondContact O-N 3.28Å; R203-I206 HydrophobicContact CB-CD1 4.21Å; R203-I206 HydrophobicContact CB-CG1 4.33Å; R203-I206 HydrophobicContact CG-CD1 4.5Å; R203-I206 PolarHBondContact O-N 2.65Å
204	H	87.7	Confident	80.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-37.7	-178.7	-73.7	90.8	0	0	0	112.3	F138 Y172 F185 D189 L198 I206 L207 L208	F138-H204 AromaticContact CE2-CD2 3.43Å; F138-H204 VanDerWaalsContact CE2-CD2 3.43Å; F138-H204 WeakPolarHBondContact CE2-CD2 3.39Å; F138-H204 AromaticContact CE2-NE2 3.42Å; F138-H204 WeakPolarHBondContact CE2-NE2 3.4Å; F138-H204 AromaticContact CZ-CD2 3.35Å; F138-H204 WeakPolarHBondContact CZ-CD2 3.45Å; F138-H204 AromaticContact CZ-NE2 3.83Å; Y172-H204 AromaticContact CE1-CD2 3.64Å; Y172-H204 AromaticContact CE1-NE2 3.44Å; Y172-H204 WeakPolarHBondContact CE1-NE2 3.35Å; Y172-H204 AromaticContact CZ-NE2 3.82Å; Y172-H204 PolarHBondContact OH-NE2 3.15Å; F185-H204 HydrophobicContact CB-CB 3.61Å; F185-H204 HydrophobicContact CD1-CB 3.37Å; F185-H204 AromaticContact CD1-CG 3.92Å; F185-H204 HydrophobicContact CE1-CB 4.19Å; F185-H204 HydrophobicContact CG-CB 3.61Å; D189-H204 IonicContact OD1-CE1 2.75Å; D189-H204 IonicContact OD1-CG 2.87Å; D189-H204 PolarHBondContact OD1-N 2.83Å; D189-H204 VanDerWaalsContact OD1-N 3.08Å; D189-H204 IonicContact OD1-ND1 3.99Å; D189-H204 PolarHBondContact OD1-ND1 2.94Å; D189-H204 PolarHBondContact OD2-N 2.82Å; L198-H204 VanDerWaalsContact CD1-CE1 3.46Å; L198-H204 WeakPolarHBondContact CD1-CE1 3.43Å; L198-H204 VanDerWaalsContact CD1-ND1 3.31Å; L198-H204 WeakPolarHBondContact CD1-ND1 2.81Å; H204-I206 VanDerWaalsContact C-N 3.3Å; H204-I206 PolarHBondContact O-N 3.33Å; H204-L207 PolarHBondContact O-N 3.48Å; H204-L207 VanDerWaalsContact O-N 3.09Å; H204-L208 PolarHBondContact O-N 3.3Å; H204-L208 VanDerWaalsContact O-N 3.08Å
205	D	81.8	Confident	79.8	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.214	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-32.2	-178.9	71.4	-49.4	0	0	0	113.5	R203 L207 L208	R203-D205 VanDerWaalsContact C-N 3.27Å; R203-D205 WeakPolarHBondContact CB-OD1 3.25Å; R203-D205 IonicContact CZ-OD1 3.68Å; R203-D205 IonicContact CZ-OD2 2.71Å; R203-D205 IonicContact NE-OD1 3.88Å; R203-D205 PolarHBondContact NE-OD1 3.37Å; R203-D205 IonicContact NE-OD2 3.79Å; R203-D205 IonicContact NH2-OD1 3.79Å; R203-D205 PolarHBondContact NH2-OD1 3.45Å; R203-D205 IonicContact NH2-OD2 3.5Å; R203-D205 PolarHBondContact NH2-OD2 3.13Å; R203-D205 PolarHBondContact O-N 3.28Å; D205-L207 VanDerWaalsContact C-N 3.32Å; D205-L208 WeakPolarHBondContact O-CB 3.02Å
206	I	80.7	Confident	79.8	Confident	32 Å²	32	53.4 Å²	53.4	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-34	176.8	-60.3	172.7	0	0	0	110.4	C130 R203 H204 R209	C130-I206 HydrophobicContact CB-CG2 3.79Å; R203-I206 HydrophobicContact CB-CD1 4.21Å; R203-I206 HydrophobicContact CB-CG1 4.33Å; R203-I206 HydrophobicContact CG-CD1 4.5Å; R203-I206 PolarHBondContact O-N 2.65Å; H204-I206 VanDerWaalsContact C-N 3.3Å; H204-I206 PolarHBondContact O-N 3.33Å; I206-R209 VanDerWaalsContact O-CD 3.26Å; I206-R209 WeakPolarHBondContact O-CD 3.42Å; I206-R209 VanDerWaalsContact O-CG 3.24Å; I206-R209 WeakPolarHBondContact O-CG 3.36Å; I206-R209 PolarHBondContact O-NE 2.8Å
207	L	74.1	Confident	79.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-78.6	-23.2	-179	-62.9	-173.1	0	0	0	112.5	C130 D134 Y135 F138 L198 H204 D205 R209 Y210	C130-L207 HydrophobicContact CB-CD2 3.7Å; D134-L207 HydrophobicContact CB-CD2 4.46Å; Y135-L207 HydrophobicContact CD2-CB 4.18Å; F138-L207 HydrophobicContact CB-CD1 3.46Å; F138-L207 VanDerWaalsContact CB-CD1 3.46Å; F138-L207 HydrophobicContact CD1-CB 4.21Å; F138-L207 HydrophobicContact CD1-CD1 3.55Å; F138-L207 HydrophobicContact CD2-CD1 4.28Å; F138-L207 HydrophobicContact CE1-CD1 4.34Å; F138-L207 HydrophobicContact CG-CD1 3.5Å; L198-L207 HydrophobicContact CD2-CD1 3.4Å; L198-L207 VanDerWaalsContact CD2-CD1 3.4Å; L198-L207 HydrophobicContact CD2-CG 4.45Å; H204-L207 PolarHBondContact O-N 3.48Å; H204-L207 VanDerWaalsContact O-N 3.09Å; D205-L207 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 3.46Å; L207-R209 VanDerWaalsContact O-N 3.16Å; L207-Y210 HydrophobicContact CD2-CE2 4.48Å; L207-Y210 PolarHBondContact O-N 3.06Å; L207-Y210 VanDerWaalsContact O-N 3.1Å
208	L	76.2	Confident	80.1	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-51.5	-38.2	176.3	-178.3	55.8	0	0	0	112.6	K182 F185 H204 D205 Y210 A211 D212 G217 L219	K182-L208 HydrophobicContact CG-CD2 4.34Å; F185-L208 HydrophobicContact CD2-CB 4.49Å; F185-L208 HydrophobicContact CD2-CD2 4.12Å; F185-L208 HydrophobicContact CE2-CB 4.15Å; F185-L208 HydrophobicContact CE2-CD1 3.63Å; F185-L208 HydrophobicContact CE2-CD2 3.87Å; F185-L208 HydrophobicContact CE2-CG 4.08Å; F185-L208 HydrophobicContact CZ-CD1 4.23Å; H204-L208 PolarHBondContact O-N 3.3Å; H204-L208 VanDerWaalsContact O-N 3.08Å; D205-L208 WeakPolarHBondContact O-CB 3.02Å; L208-Y210 PolarHBondContact O-N 3.26Å; L208-A211 PolarHBondContact O-N 2.97Å; L208-D212 HydrophobicContact CD1-CB 4.01Å; L208-D212 HydrophobicContact CG-CB 4.12Å; L208-D212 WeakPolarHBondContact O-CB 3.11Å; L208-D212 PolarHBondContact O-N 2.92Å; L208-G217 VanDerWaalsContact CD2-O 3.31Å; L208-G217 WeakPolarHBondContact CD2-O 3.44Å; L208-L219 HydrophobicContact CD1-CB 3.72Å; L208-L219 HydrophobicContact CD1-CD1 4.32Å; L208-L219 HydrophobicContact CD1-CG 4.49Å
209	R	74.4	Confident	80.4	Confident	138 Å²	138	51.6 Å²	51.6	52%	0.521	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.2	-179.4	78.2	-169.2	178.3	-170	-3.7	115.3	C130 I206 L207	C130-R209 PolarHBondContact O-NH2 3.11Å; I206-R209 VanDerWaalsContact O-CD 3.26Å; I206-R209 WeakPolarHBondContact O-CD 3.42Å; I206-R209 VanDerWaalsContact O-CG 3.24Å; I206-R209 WeakPolarHBondContact O-CG 3.36Å; I206-R209 PolarHBondContact O-NE 2.8Å; L207-R209 PolarHBondContact O-N 3.46Å; L207-R209 VanDerWaalsContact O-N 3.16Å
210	Y	73.4	Confident	81	Confident	68 Å²	68	52.7 Å²	52.7	27%	0.267	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-14.4	178.3	-60.3	-73.7	0	0	0	113.5	T131 L132 Y135 L207 L208	T131-Y210 PolarHBondContact O-OH 3.38Å; L132-Y210 HydrophobicContact CB-CE1 4Å; L132-Y210 HydrophobicContact CD1-CD1 3.49Å; L132-Y210 VanDerWaalsContact CD1-CD1 3.49Å; L132-Y210 HydrophobicContact CD1-CE1 3.62Å; L132-Y210 HydrophobicContact CD1-CG 4.21Å; L132-Y210 HydrophobicContact CG-CE1 4.42Å; L132-Y210 PolarHBondContact N-OH 2.99Å; L132-Y210 VanDerWaalsContact N-OH 3.14Å; Y135-Y210 HydrophobicContact CD1-CD1 4.49Å; Y135-Y210 HydrophobicContact CD1-CD2 4.19Å; Y135-Y210 AromaticContact CD1-CG 3.8Å; Y135-Y210 HydrophobicContact CD1-CG 3.8Å; Y135-Y210 AromaticContact CD2-CD2 4Å; Y135-Y210 HydrophobicContact CD2-CD2 4Å; Y135-Y210 HydrophobicContact CD2-CG 4.2Å; Y135-Y210 HydrophobicContact CE1-CG 4.35Å; Y135-Y210 AromaticContact CG-CD2 3.59Å; Y135-Y210 HydrophobicContact CG-CD2 3.59Å; Y135-Y210 HydrophobicContact CG-CE2 4.47Å; Y135-Y210 AromaticContact CG-CG 3.68Å; Y135-Y210 HydrophobicContact CG-CG 3.68Å; Y135-Y210 PolarHBondContact OH-O 3.31Å; L207-Y210 HydrophobicContact CD2-CE2 4.48Å; L207-Y210 PolarHBondContact O-N 3.06Å; L207-Y210 VanDerWaalsContact O-N 3.1Å; L208-Y210 PolarHBondContact O-N 3.26Å
211	A	77	Confident	81.7	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.017	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-32.7	-178.4	0	0	0	0	0	112.5	Y135 L208 M213 L219 M227	Y135-A211 HydrophobicContact CE2-CB 3.92Å; Y135-A211 WeakPolarHBondContact OH-CA 3.29Å; Y135-A211 WeakPolarHBondContact OH-CB 3.25Å; L208-A211 PolarHBondContact O-N 2.97Å; A211-M213 WeakPolarHBondContact O-CG 3.39Å; A211-M213 PolarHBondContact O-N 3.28Å; A211-M213 VanDerWaalsContact O-N 3.13Å; A211-L219 HydrophobicContact CB-CD1 3.55Å; A211-L219 HydrophobicContact CB-CD2 4.49Å; A211-M227 HydrophobicContact CB-CB 4.4Å; A211-M227 HydrophobicContact CB-CG 4.23Å; A211-M227 HydrophobicContact CB-SD 4.02Å
212	D	82.4	Confident	81.9	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.134	25%	0.254	C	S	.	.			trans	-67.7	98.8	173.4	176.2	1.7	0	0	0	109.3	L208 N214 A215 D216 G217	L208-D212 HydrophobicContact CD1-CB 4.01Å; L208-D212 HydrophobicContact CG-CB 4.12Å; L208-D212 WeakPolarHBondContact O-CB 3.11Å; L208-D212 PolarHBondContact O-N 2.92Å; D212-N214 PolarHBondContact OD1-OD1 3.21Å; D212-A215 WeakPolarHBondContact OD1-CA 3.46Å; D212-A215 PolarHBondContact OD1-N 3.26Å; D212-A215 WeakPolarHBondContact OD2-CA 3.25Å; D212-D216 PolarHBondContact OD1-N 2.65Å; D212-D216 VanDerWaalsContact OD1-N 3.17Å; D212-G217 WeakPolarHBondContact OD2-CA 3.37Å; D212-G217 PolarHBondContact OD2-N 3.24Å
213	M	74.8	Confident	82	Confident	99 Å²	99	50.1 Å²	50.1	49%	0.488	25%	0.251	S	S	.	.	S	Bend	trans	-87.7	-28.4	-172.5	-62.4	-166.9	177.2	0	0	112	A211 E223 K226	A211-M213 WeakPolarHBondContact O-CG 3.39Å; A211-M213 PolarHBondContact O-N 3.28Å; A211-M213 VanDerWaalsContact O-N 3.13Å; M213-E223 HydrophobicContact CB-CG 4.41Å; M213-E223 HydrophobicContact CG-CG 4.43Å; M213-E223 PolarHBondContact N-OE1 2.94Å; M213-K226 HydrophobicContact CE-CB 3.51Å; M213-K226 HydrophobicContact CE-CD 3.86Å; M213-K226 HydrophobicContact CE-CG 4.32Å; M213-K226 HydrophobicContact SD-CB 4.29Å; M213-K226 HydrophobicContact SD-CD 3.48Å; M213-K226 WeakPolarHBondContact SD-CD 3.22Å
214	N	77.4	Confident	82	Confident	85 Å²	85	44 Å²	44	46%	0.455	23%	0.228	S	C	.	.	S	Bend	trans	-90.5	-6.6	177.9	71.2	10.6	0	0	0	112.5	D212 D216 E223	D212-N214 PolarHBondContact OD1-OD1 3.21Å; N214-D216 VanDerWaalsContact C-N 3.29Å; N214-D216 PolarHBondContact ND2-OD2 3.07Å; N214-D216 PolarHBondContact O-N 2.87Å; N214-D216 VanDerWaalsContact OD1-CB 3.28Å; N214-D216 WeakPolarHBondContact OD1-CB 3.5Å; N214-D216 PolarHBondContact OD1-N 3.21Å; N214-D216 PolarHBondContact OD1-OD1 3.46Å; N214-D216 PolarHBondContact OD1-OD2 3.46Å; N214-E223 PolarHBondContact N-OE1 2.84Å; N214-E223 VanDerWaalsContact N-OE1 3.16Å
215	A	77.9	Confident	81.6	Confident	85 Å²	85	45.5 Å²	45.5	70%	0.702	24%	0.235	S	C	*	.			trans	60.5	31.1	-179.4	0	0	0	0	0	114	D212 G217	D212-A215 WeakPolarHBondContact OD1-CA 3.46Å; D212-A215 PolarHBondContact OD1-N 3.26Å; D212-A215 WeakPolarHBondContact OD2-CA 3.25Å; A215-G217 VanDerWaalsContact C-N 3.27Å
216	D	85	Confident	81.2	Confident	75 Å²	75	47.3 Å²	47.3	40%	0.401	24%	0.241	S	C	.	.	S	Bend	trans	-82.9	-4.7	178.3	72.8	13.4	0	0	0	113.5	D212 N214 K218	D212-D216 PolarHBondContact OD1-N 2.65Å; D212-D216 VanDerWaalsContact OD1-N 3.17Å; N214-D216 VanDerWaalsContact C-N 3.29Å; N214-D216 PolarHBondContact ND2-OD2 3.07Å; N214-D216 PolarHBondContact O-N 2.87Å; N214-D216 VanDerWaalsContact OD1-CB 3.28Å; N214-D216 WeakPolarHBondContact OD1-CB 3.5Å; N214-D216 PolarHBondContact OD1-N 3.21Å; N214-D216 PolarHBondContact OD1-OD1 3.46Å; N214-D216 PolarHBondContact OD1-OD2 3.46Å; D216-K218 WeakPolarHBondContact OD1-CA 3.24Å; D216-K218 WeakPolarHBondContact OD1-CB 3.48Å; D216-K218 PolarHBondContact OD1-N 3.45Å
217	G	83.2	Confident	81.1	Confident	22 Å²	22	46.1 Å²	46.1	23%	0.227	24%	0.235	C	C	.	.	S	Bend	trans	83.5	12.2	179.4	0	0	0	0	0	114.2	L208 D212 A215	L208-G217 VanDerWaalsContact CD2-O 3.31Å; L208-G217 WeakPolarHBondContact CD2-O 3.44Å; D212-G217 WeakPolarHBondContact OD2-CA 3.37Å; D212-G217 PolarHBondContact OD2-N 3.24Å; A215-G217 VanDerWaalsContact C-N 3.27Å
218	K	90.7	Very high	81.2	Confident	75 Å²	75	47 Å²	47	33%	0.326	24%	0.239	S	C	.	.	S	Bend	trans	-131.1	174.4	178.9	-55.5	-179.4	175.8	-179	0	110.2	E179 D216	E179-K218 HydrophobicContact CB-CB 4.32Å; E179-K218 HydrophobicContact CB-CD 4.08Å; E179-K218 HydrophobicContact CG-CD 4.48Å; E179-K218 WeakPolarHBondContact OE2-CD 3.39Å; E179-K218 WeakPolarHBondContact OE2-CE 3.2Å; E179-K218 IonicContact OE2-NZ 3.35Å; E179-K218 PolarHBondContact OE2-NZ 3.27Å; D216-K218 WeakPolarHBondContact OD1-CA 3.24Å; D216-K218 WeakPolarHBondContact OD1-CB 3.48Å; D216-K218 PolarHBondContact OD1-N 3.45Å
219	L	90.2	Very high	80.6	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	107.6	175	-169.8	70.5	0	0	0	110.3	I180 F185 L208 A211 E223 F224 M227	I180-L219 HydrophobicContact CB-CB 4.24Å; I180-L219 HydrophobicContact CD1-CD2 4.35Å; I180-L219 PolarHBondContact N-O 2.62Å; I180-L219 PolarHBondContact O-N 3.49Å; F185-L219 HydrophobicContact CZ-CB 4.44Å; F185-L219 HydrophobicContact CZ-CD2 4.28Å; L208-L219 HydrophobicContact CD1-CB 3.72Å; L208-L219 HydrophobicContact CD1-CD1 4.32Å; L208-L219 HydrophobicContact CD1-CG 4.49Å; A211-L219 HydrophobicContact CB-CD1 3.55Å; A211-L219 HydrophobicContact CB-CD2 4.49Å; L219-E223 WeakPolarHBondContact CA-OE2 3.31Å; L219-E223 HydrophobicContact CD1-CB 3.46Å; L219-E223 VanDerWaalsContact CD1-CB 3.46Å; L219-E223 HydrophobicContact CG-CB 4.27Å; L219-F224 HydrophobicContact CD2-CB 4.23Å; L219-F224 HydrophobicContact CD2-CD2 3.82Å; L219-F224 HydrophobicContact CG-CB 4.39Å; L219-M227 HydrophobicContact CD2-SD 3.98Å
220	D	91	Very high	80.1	Confident	40 Å²	40	43.6 Å²	43.6	21%	0.214	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	168.4	175.9	80.6	35.9	0	0	0	112.1	N222 E223 F224	D220-N222 VanDerWaalsContact C-N 3.26Å; D220-N222 PolarHBondContact O-N 3.05Å; D220-N222 WeakPolarHBondContact OD1-CA 3.12Å; D220-N222 VanDerWaalsContact OD1-CB 3.23Å; D220-N222 WeakPolarHBondContact OD1-CB 3.34Å; D220-N222 PolarHBondContact OD1-N 3.12Å; D220-E223 PolarHBondContact N-OE2 3.36Å; D220-E223 PolarHBondContact O-N 2.92Å; D220-E223 PolarHBondContact OD1-N 3.19Å; D220-F224 WeakPolarHBondContact O-CB 3.33Å; D220-F224 PolarHBondContact O-N 3.33Å
221	Y	89	Confident	79.2	Confident	47 Å²	47	44.3 Å²	44.3	18%	0.184	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-30.5	179.5	-176.6	-109	0	0	0	113.9	L165 R166 F169 K225	L165-Y221 HydrophobicContact CG-CE2 4.38Å; R166-Y221 HydrophobicContact CB-CE2 4.31Å; R166-Y221 HydrophobicContact CG-CE2 4.25Å; F169-Y221 HydrophobicContact CB-CD2 3.85Å; F169-Y221 HydrophobicContact CB-CE2 4.04Å; F169-Y221 HydrophobicContact CD1-CD2 4.04Å; F169-Y221 AromaticContact CD2-CD2 3.95Å; F169-Y221 HydrophobicContact CD2-CD2 3.95Å; F169-Y221 AromaticContact CG-CD2 3.67Å; F169-Y221 HydrophobicContact CG-CD2 3.67Å; F169-Y221 HydrophobicContact CG-CE2 4.37Å; Y221-K225 HydrophobicContact CD1-CD 4.36Å; Y221-K225 HydrophobicContact CE1-CD 3.92Å; Y221-K225 HydrophobicContact CE1-CG 4.2Å; Y221-K225 WeakPolarHBondContact O-CG 3.42Å; Y221-K225 PolarHBondContact O-N 2.92Å
222	N	82.6	Confident	77.9	Confident	71 Å²	71	49.9 Å²	49.9	38%	0.38	27%	0.274	S	S	.	.	H	α-helix	trans	-72.8	-42.2	177.1	-62	-38.1	0	0	0	112	D220 F224 K225 K226 E232	D220-N222 VanDerWaalsContact C-N 3.26Å; D220-N222 PolarHBondContact O-N 3.05Å; D220-N222 WeakPolarHBondContact OD1-CA 3.12Å; D220-N222 VanDerWaalsContact OD1-CB 3.23Å; D220-N222 WeakPolarHBondContact OD1-CB 3.34Å; D220-N222 PolarHBondContact OD1-N 3.12Å; N222-F224 VanDerWaalsContact C-N 3.33Å; N222-K225 WeakPolarHBondContact O-CB 3.37Å; N222-K225 PolarHBondContact O-N 3.25Å; N222-K225 WeakPolarHBondContact OD1-CE 3.43Å; N222-K225 PolarHBondContact OD1-NZ 2.9Å; N222-K226 VanDerWaalsContact O-CG 3.31Å; N222-K226 WeakPolarHBondContact O-CG 3.37Å; N222-K226 PolarHBondContact O-N 3.18Å; N222-E232 PolarHBondContact OD1-OE1 2.96Å
223	E	84.7	Confident	76.2	Confident	5 Å²	5	50.8 Å²	50.8	2%	0.023	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-40.7	172.4	-64.7	178.5	136.3	0	0	110.9	M213 N214 L219 D220 K225 K226 M227	M213-E223 HydrophobicContact CB-CG 4.41Å; M213-E223 HydrophobicContact CG-CG 4.43Å; M213-E223 PolarHBondContact N-OE1 2.94Å; N214-E223 PolarHBondContact N-OE1 2.84Å; N214-E223 VanDerWaalsContact N-OE1 3.16Å; L219-E223 WeakPolarHBondContact CA-OE2 3.31Å; L219-E223 HydrophobicContact CD1-CB 3.46Å; L219-E223 VanDerWaalsContact CD1-CB 3.46Å; L219-E223 HydrophobicContact CG-CB 4.27Å; D220-E223 PolarHBondContact N-OE2 3.36Å; D220-E223 PolarHBondContact O-N 2.92Å; D220-E223 PolarHBondContact OD1-N 3.19Å; E223-K225 PolarHBondContact O-N 2.96Å; E223-K226 CarbonylContact O-C 3.56Å; E223-K226 PolarHBondContact O-N 2.77Å; E223-M227 VanDerWaalsContact O-CB 3.24Å; E223-M227 WeakPolarHBondContact O-CB 3.42Å; E223-M227 PolarHBondContact O-N 3.07Å
224	F	87.1	Confident	74.6	Confident	3 Å²	3	54.9 Å²	54.9	1%	0.013	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-41.8	173.3	-172.2	-100.8	0	0	0	112.9	I142 L165 T168 F169 I180 L219 D220 N222 K226 M227 L228	I142-F224 HydrophobicContact CG2-CE2 4.48Å; I142-F224 HydrophobicContact CG2-CZ 4.06Å; L165-F224 HydrophobicContact CD1-CE1 4.13Å; T168-F224 HydrophobicContact CG2-CZ 4.05Å; F169-F224 HydrophobicContact CB-CD1 4.01Å; F169-F224 HydrophobicContact CB-CE1 4.01Å; F169-F224 HydrophobicContact CD2-CB 3.64Å; F169-F224 AromaticContact CD2-CD1 3.83Å; F169-F224 HydrophobicContact CD2-CD1 3.83Å; F169-F224 HydrophobicContact CD2-CD2 4.05Å; F169-F224 HydrophobicContact CD2-CE1 4.47Å; F169-F224 AromaticContact CD2-CG 3.59Å; F169-F224 HydrophobicContact CD2-CG 3.59Å; F169-F224 HydrophobicContact CE2-CB 3.94Å; F169-F224 HydrophobicContact CE2-CG 4.32Å; F169-F224 HydrophobicContact CG-CD1 4.41Å; I180-F224 HydrophobicContact CD1-CD2 4.45Å; L219-F224 HydrophobicContact CD2-CB 4.23Å; L219-F224 HydrophobicContact CD2-CD2 3.82Å; L219-F224 HydrophobicContact CG-CB 4.39Å; D220-F224 WeakPolarHBondContact O-CB 3.33Å; D220-F224 PolarHBondContact O-N 3.33Å; N222-F224 VanDerWaalsContact C-N 3.33Å; F224-K226 PolarHBondContact O-N 2.97Å; F224-M227 HydrophobicContact CD2-SD 4.22Å; F224-M227 WeakPolarHBondContact O-CB 3.48Å; F224-M227 PolarHBondContact O-N 3.04Å; F224-L228 HydrophobicContact CD1-CD1 3.93Å; F224-L228 HydrophobicContact CE1-CD1 3.44Å; F224-L228 VanDerWaalsContact CE1-CD1 3.44Å; F224-L228 HydrophobicContact CE1-CG 4.46Å; F224-L228 HydrophobicContact CZ-CD1 3.79Å; F224-L228 WeakPolarHBondContact O-CG 3.19Å; F224-L228 PolarHBondContact O-N 2.89Å; F224-L228 VanDerWaalsContact O-N 3.1Å
225	K	80	Confident	73	Confident	33 Å²	33	54.7 Å²	54.7	14%	0.143	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-48	171.6	-80.3	-178.7	-66.8	164.8	0	111.2	L165 Y221 N222 E223 L228 G229 L230 E232	L165-K225 HydrophobicContact CD2-CG 3.79Å; Y221-K225 HydrophobicContact CD1-CD 4.36Å; Y221-K225 HydrophobicContact CE1-CD 3.92Å; Y221-K225 HydrophobicContact CE1-CG 4.2Å; Y221-K225 WeakPolarHBondContact O-CG 3.42Å; Y221-K225 PolarHBondContact O-N 2.92Å; N222-K225 WeakPolarHBondContact O-CB 3.37Å; N222-K225 PolarHBondContact O-N 3.25Å; N222-K225 WeakPolarHBondContact OD1-CE 3.43Å; N222-K225 PolarHBondContact OD1-NZ 2.9Å; E223-K225 PolarHBondContact O-N 2.96Å; K225-L228 CarbonylContact O-C 3.57Å; K225-L228 PolarHBondContact O-N 2.99Å; K225-G229 PolarHBondContact O-N 3.34Å; K225-L230 PolarHBondContact O-N 2.86Å; K225-E232 IonicContact NZ-OE1 3.17Å; K225-E232 PolarHBondContact NZ-OE1 3.42Å
226	K	72.8	Confident	71.2	Confident	78 Å²	78	57.2 Å²	57.2	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-39.3	-178.6	-70.1	173.2	-173.5	171.3	0	111.7	M213 N222 E223 F224 L228 G229	M213-K226 HydrophobicContact CE-CB 3.51Å; M213-K226 HydrophobicContact CE-CD 3.86Å; M213-K226 HydrophobicContact CE-CG 4.32Å; M213-K226 HydrophobicContact SD-CB 4.29Å; M213-K226 HydrophobicContact SD-CD 3.48Å; M213-K226 WeakPolarHBondContact SD-CD 3.22Å; N222-K226 VanDerWaalsContact O-CG 3.31Å; N222-K226 WeakPolarHBondContact O-CG 3.37Å; N222-K226 PolarHBondContact O-N 3.18Å; E223-K226 CarbonylContact O-C 3.56Å; E223-K226 PolarHBondContact O-N 2.77Å; F224-K226 PolarHBondContact O-N 2.97Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 3.44Å; K226-G229 WeakPolarHBondContact O-CA 3.14Å; K226-G229 PolarHBondContact O-N 2.98Å
227	M	79.6	Confident	69.2	Low	7 Å²	7	62.5 Å²	62.5	3%	0.034	33%	0.332	C	S	.	.	H	α-helix	trans	-54.1	-45.9	172.3	174.2	-170.3	170.9	0	0	110.4	Y135 F138 V139 I142 A211 L219 E223 F224 G229	Y135-M227 HydrophobicContact CE2-CE 4.36Å; F138-M227 HydrophobicContact CD1-CE 3.71Å; F138-M227 HydrophobicContact CE1-CE 3.29Å; F138-M227 HydrophobicContact CZ-CE 4.07Å; V139-M227 HydrophobicContact CB-CE 4.37Å; V139-M227 HydrophobicContact CG1-CG 4.31Å; V139-M227 WeakPolarHBondContact CG1-O 3.45Å; V139-M227 HydrophobicContact CG2-CE 3.59Å; V139-M227 HydrophobicContact CG2-CG 3.72Å; I142-M227 HydrophobicContact CD1-CE 3.89Å; A211-M227 HydrophobicContact CB-CB 4.4Å; A211-M227 HydrophobicContact CB-CG 4.23Å; A211-M227 HydrophobicContact CB-SD 4.02Å; L219-M227 HydrophobicContact CD2-SD 3.98Å; E223-M227 VanDerWaalsContact O-CB 3.24Å; E223-M227 WeakPolarHBondContact O-CB 3.42Å; E223-M227 PolarHBondContact O-N 3.07Å; F224-M227 HydrophobicContact CD2-SD 4.22Å; F224-M227 WeakPolarHBondContact O-CB 3.48Å; F224-M227 PolarHBondContact O-N 3.04Å; M227-G229 PolarHBondContact O-N 2.85Å
228	L	75.5	Confident	67.6	Low	20 Å²	20	64.2 Å²	64.2	11%	0.105	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.4	176.8	-62.4	175	0	0	0	114.5	I142 A143 L165 F224 K225 K226 L230	I142-L228 HydrophobicContact CB-CD2 4.01Å; I142-L228 HydrophobicContact CG2-CD1 4.33Å; I142-L228 HydrophobicContact CG2-CD2 3.64Å; A143-L228 HydrophobicContact CB-CD2 3.97Å; L165-L228 HydrophobicContact CD1-CD1 3.57Å; F224-L228 HydrophobicContact CD1-CD1 3.93Å; F224-L228 HydrophobicContact CE1-CD1 3.44Å; F224-L228 VanDerWaalsContact CE1-CD1 3.44Å; F224-L228 HydrophobicContact CE1-CG 4.46Å; F224-L228 HydrophobicContact CZ-CD1 3.79Å; F224-L228 WeakPolarHBondContact O-CG 3.19Å; F224-L228 PolarHBondContact O-N 2.89Å; F224-L228 VanDerWaalsContact O-N 3.1Å; K225-L228 CarbonylContact O-C 3.57Å; K225-L228 PolarHBondContact O-N 2.99Å; K226-L228 VanDerWaalsContact C-N 3.29Å; K226-L228 PolarHBondContact O-N 3.44Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 HydrophobicContact CB-CD1 4.25Å; L228-L230 HydrophobicContact CB-CG 4.21Å
229	G	63.7	Low	66.2	Low	18 Å²	18	64.2 Å²	64.2	19%	0.186	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	24.2	-178.9	0	0	0	0	0	114.2	K225 K226 M227 N305	K225-G229 PolarHBondContact O-N 3.34Å; K226-G229 WeakPolarHBondContact O-CA 3.14Å; K226-G229 PolarHBondContact O-N 2.98Å; M227-G229 PolarHBondContact O-N 2.85Å; G229-N305 PolarHBondContact O-ND2 3.35Å
230	L	64.2	Low	65.3	Low	54 Å²	54	66.3 Å²	66.3	28%	0.283	37%	0.366	S	S	.	.			trans	-88	129.6	-178.7	-63.6	174.2	0	0	0	111.2	L165 K225 L228	L165-L230 HydrophobicContact CD1-CD1 3.49Å; L165-L230 VanDerWaalsContact CD1-CD1 3.49Å; L165-L230 HydrophobicContact CD2-CD1 3.35Å; L165-L230 HydrophobicContact CG-CD1 4.03Å; K225-L230 PolarHBondContact O-N 2.86Å; L228-L230 VanDerWaalsContact C-N 3.35Å; L228-L230 HydrophobicContact CB-CD1 4.25Å; L228-L230 HydrophobicContact CB-CG 4.21Å
231	P	53.7	Low	64.8	Low	84 Å²	84	66.8 Å²	66.8	55%	0.545	37%	0.37	S	S	.	.			trans	-70	146.9	179.8	27.1	-32.4	0	0	0	112	G233	P231-G233 PolarHBondContact O-N 2.81Å
232	E	49.6	Very low	64.6	Low	118 Å²	118	67.2 Å²	67.2	55%	0.551	37%	0.373	S	S	*	.	S	Bend	trans	-78.2	101.8	172.4	-61.2	-151.4	129.6	0	0	110.4	N222 K225	N222-E232 PolarHBondContact OD1-OE1 2.96Å; K225-E232 IonicContact NZ-OE1 3.17Å; K225-E232 PolarHBondContact NZ-OE1 3.42Å
233	G	48.1	Very low	64.7	Low	44 Å²	44	72.5 Å²	72.5	45%	0.454	39%	0.389	S	S	.	.	S	Bend	trans	94.8	171.7	171.1	0	0	0	0	0	114.8	P231 I235	P231-G233 PolarHBondContact O-N 2.81Å; G233-I235 PolarHBondContact O-N 2.88Å
234	K	39.6	Very low	64.8	Low	186 Å²	186	73.6 Å²	73.6	81%	0.809	39%	0.394	S	S	*	.	S	Bend	trans	-55.8	125.3	178.6	-72.3	-177.9	178.5	179.6	0	107.6	N236	K234-N236 PolarHBondContact O-N 3.3Å
235	I	44	Very low	64.6	Low	81 Å²	81	79 Å²	79	42%	0.415	42%	0.42	S	S	.	.			trans	-48.6	112.6	167.1	-58.7	174.2	0	0	0	105.8	G233 N237 Q239 V241	G233-I235 PolarHBondContact O-N 2.88Å; I235-N237 PolarHBondContact O-N 3.12Å; I235-Q239 HydrophobicContact CG2-CB 3.79Å; I235-Q239 WeakPolarHBondContact CG2-O 3.42Å; I235-V241 HydrophobicContact CD1-CG2 3.67Å
236	N	39.9	Very low	64.9	Low	137 Å²	137	77.6 Å²	77.6	73%	0.733	42%	0.415	S	S	*	.			trans	-53.7	138.3	172.9	-79.7	-26	0	0	0	106.9	K234 G238 Q239	K234-N236 PolarHBondContact O-N 3.3Å; N236-G238 PolarHBondContact O-N 3.42Å; N236-Q239 PolarHBondContact O-N 3.17Å
237	N	43.2	Very low	65.5	Low	187 Å²	187	76.2 Å²	76.2	100%	1	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	30.7	-163.2	-126.2	15.7	0	0	0	116.2	I235	I235-N237 PolarHBondContact O-N 3.12Å
238	G	51.2	Low	65.7	Low	57 Å²	57	76 Å²	76	59%	0.588	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	-7.3	177.4	0	0	0	0	0	116.3	N236	N236-G238 PolarHBondContact O-N 3.42Å
239	Q	59.5	Low	65.8	Low	76 Å²	76	75 Å²	75	36%	0.355	40%	0.404	S	S	.	.			trans	-90.9	114.6	176.4	-77.7	-179.2	-11.9	0	0	111.7	I235 N236 D314 G317	I235-Q239 HydrophobicContact CG2-CB 3.79Å; I235-Q239 WeakPolarHBondContact CG2-O 3.42Å; N236-Q239 PolarHBondContact O-N 3.17Å; Q239-D314 PolarHBondContact NE2-O 2.75Å; Q239-G317 WeakPolarHBondContact CA-O 3.28Å
240	S	71.8	Confident	66.7	Low	47 Å²	47	77 Å²	77	33%	0.329	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.3	179.1	66.4	0	0	0	0	111.6	Q318 T319	S240-Q318 WeakPolarHBondContact O-CA 3.39Å; S240-Q318 VanDerWaalsContact OG-CG 3.28Å; S240-Q318 WeakPolarHBondContact OG-CG 3.49Å; S240-Q318 PolarHBondContact OG-NE2 2.93Å; S240-T319 PolarHBondContact O-N 2.84Å
241	V	81.2	Confident	67.6	Low	50 Å²	50	79.2 Å²	79.2	30%	0.303	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126	172	-175.2	0	0	0	0	110.1	I235 Y243 T319	I235-V241 HydrophobicContact CD1-CG2 3.67Å; V241-Y243 HydrophobicContact CG1-CE1 4.35Å; V241-Y243 HydrophobicContact CG1-CE2 4Å; V241-T319 CarbonylContact C-O 3.59Å; V241-T319 VanDerWaalsContact CA-O 3.24Å; V241-T319 WeakPolarHBondContact CA-O 3.31Å
242	K	83.8	Confident	69.2	Low	55 Å²	55	78.9 Å²	78.9	24%	0.239	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.9	175.3	-68.8	175.3	175.6	165.6	0	110.2	H244 D257 T319 H320 T321	K242-H244 WeakPolarHBondContact CB-NE2 3.45Å; K242-D257 IonicContact NZ-OD2 3.62Å; K242-D257 PolarHBondContact NZ-OD2 3.11Å; K242-T319 PolarHBondContact N-O 3.42Å; K242-H320 CarbonylContact O-C 3.6Å; K242-H320 WeakPolarHBondContact O-CA 3.19Å; K242-T321 PolarHBondContact O-N 2.97Å
243	Y	85.3	Confident	71.2	Confident	183 Å²	183	75.7 Å²	75.7	72%	0.718	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.4	178.8	-63.7	-85.3	0	0	0	110.4	V241 T321	V241-Y243 HydrophobicContact CG1-CE1 4.35Å; V241-Y243 HydrophobicContact CG1-CE2 4Å; Y243-T321 WeakPolarHBondContact CA-O 3.41Å; Y243-T321 HydrophobicContact CD1-CG2 3.87Å; Y243-T321 HydrophobicContact CE1-CG2 4.04Å
244	H	87.2	Confident	73.2	Confident	27 Å²	27	73.6 Å²	73.6	13%	0.125	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.8	-176.9	-56.7	-87.2	0	0	0	109.2	K242 V246 Y252 H320 T321 V322 L323	K242-H244 WeakPolarHBondContact CB-NE2 3.45Å; H244-V246 HydrophobicContact CB-CG2 4.34Å; H244-Y252 HydrophobicContact CB-CE1 3.86Å; H244-Y252 AromaticContact CG-CE1 3.82Å; H244-Y252 AromaticContact ND1-CE1 3.42Å; H244-Y252 WeakPolarHBondContact ND1-CE1 3.39Å; H244-Y252 AromaticContact ND1-CZ 3.59Å; H244-Y252 PolarHBondContact ND1-OH 3.35Å; H244-H320 AromaticContact CD2-ND1 3.81Å; H244-H320 AromaticContact CE1-ND1 3.66Å; H244-H320 AromaticContact NE2-CE1 3.9Å; H244-H320 AromaticContact NE2-CG 3.73Å; H244-H320 AromaticContact NE2-ND1 2.88Å; H244-H320 PolarHBondContact NE2-ND1 2.85Å; H244-T321 PolarHBondContact N-O 2.82Å; H244-V322 HydrophobicContact CB-CG2 4.2Å; H244-V322 CarbonylContact O-C 3.57Å; H244-V322 WeakPolarHBondContact O-CA 3.45Å; H244-L323 PolarHBondContact O-N 3.37Å
245	M	83.1	Confident	75.6	Confident	117 Å²	117	69.5 Å²	69.5	58%	0.576	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.7	167.8	-167.1	177.2	-59.6	0	0	107.9	L323 T325	M245-L323 CarbonylContact C-O 3.52Å; M245-L323 WeakPolarHBondContact CA-O 3.4Å; M245-T325 HydrophobicContact CG-CG2 3.88Å; M245-T325 HydrophobicContact SD-CG2 4.19Å
246	V	86.5	Confident	77.6	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.024	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.7	-173.5	-174.2	0	0	0	0	108.2	H244 A248 Y252 A298 V322 L323 V324 T325	H244-V246 HydrophobicContact CB-CG2 4.34Å; V246-A248 PolarHBondContact O-N 3.49Å; V246-Y252 HydrophobicContact CB-CG 4.48Å; V246-Y252 HydrophobicContact CG1-CD2 4.13Å; V246-Y252 HydrophobicContact CG1-CG 4.02Å; V246-Y252 HydrophobicContact CG2-CD1 3.67Å; V246-Y252 HydrophobicContact CG2-CD2 3.78Å; V246-Y252 HydrophobicContact CG2-CE1 3.94Å; V246-Y252 HydrophobicContact CG2-CE2 4.06Å; V246-Y252 HydrophobicContact CG2-CG 3.58Å; V246-A298 HydrophobicContact CG1-CB 3.55Å; V246-V322 HydrophobicContact CG2-CG1 4.05Å; V246-L323 PolarHBondContact N-O 3.16Å; V246-V324 HydrophobicContact CB-CG2 4.38Å; V246-V324 CarbonylContact O-C 3.47Å; V246-V324 WeakPolarHBondContact O-CA 3.24Å; V246-T325 PolarHBondContact O-N 3.3Å
247	E	84.6	Confident	79.4	Confident	49 Å²	49	64.6 Å²	64.6	23%	0.229	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.7	172	-170.5	175.5	168	0	0	109.4	G249 N250 R327	E247-G249 PolarHBondContact O-N 2.85Å; E247-N250 WeakPolarHBondContact O-CB 3.49Å; E247-N250 PolarHBondContact O-N 2.73Å; E247-R327 IonicContact OE1-CZ 3.02Å; E247-R327 IonicContact OE1-NE 3.73Å; E247-R327 PolarHBondContact OE1-NE 3.04Å; E247-R327 IonicContact OE1-NH2 3.72Å; E247-R327 PolarHBondContact OE1-NH2 2.88Å; E247-R327 VanDerWaalsContact OE1-NH2 3.17Å; E247-R327 IonicContact OE2-CZ 3.49Å; E247-R327 IonicContact OE2-NE 3.77Å; E247-R327 IonicContact OE2-NH2 2.73Å; E247-R327 PolarHBondContact OE2-NH2 2.98Å
248	A	83.5	Confident	80.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.008	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	139.7	-177.9	0	0	0	0	0	111.2	V246 N250 A298 V324 T325 E326 I553 L554	V246-A248 PolarHBondContact O-N 3.49Å; A248-N250 VanDerWaalsContact C-N 3.32Å; A248-A298 CarbonylContact C-O 3.53Å; A248-A298 WeakPolarHBondContact CA-O 3.37Å; A248-V324 HydrophobicContact CB-CG1 3.63Å; A248-T325 WeakPolarHBondContact CB-O 3.39Å; A248-T325 PolarHBondContact N-O 2.83Å; A248-E326 HydrophobicContact CB-CB 4.44Å; A248-E326 HydrophobicContact CB-CG 3.59Å; A248-I553 HydrophobicContact CB-CB 3.89Å; A248-I553 HydrophobicContact CB-CG2 3.41Å; A248-I553 VanDerWaalsContact CB-CG2 3.41Å; A248-L554 PolarHBondContact O-N 3.04Å
249	G	77.7	Confident	81.1	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-20.4	-177.3	0	0	0	0	0	114.4	E247 P297 A298 L554	E247-G249 PolarHBondContact O-N 2.85Å; G249-P297 WeakPolarHBondContact O-CB 3.44Å; G249-A298 PolarHBondContact N-O 2.91Å; G249-L554 CarbonylContact C-O 3.48Å; G249-L554 WeakPolarHBondContact CA-O 3.33Å
250	N	82.8	Confident	80.8	Confident	59 Å²	59	60.2 Å²	60.2	32%	0.316	29%	0.294	S	S	.	.	S	Bend	trans	-72.9	156.3	172.8	-71.4	-14.8	0	0	0	111.9	E247 A248 A298	E247-N250 WeakPolarHBondContact O-CB 3.49Å; E247-N250 PolarHBondContact O-N 2.73Å; A248-N250 VanDerWaalsContact C-N 3.32Å; N250-A298 VanDerWaalsContact O-CB 3.23Å; N250-A298 WeakPolarHBondContact O-CB 3.5Å; N250-A298 PolarHBondContact O-N 3.17Å
251	H	82.5	Confident	79.8	Confident	101 Å²	101	66.1 Å²	66.1	47%	0.468	32%	0.322	S	S	.	.			trans	-85.5	133.9	169.6	-57.5	-85.6	0	0	0	109.1	T296	H251-T296 HydrophobicContact CB-CG2 3.87Å; H251-T296 WeakPolarHBondContact ND1-CG2 3.48Å
252	Y	88.1	Confident	78.2	Confident	77 Å²	77	66.5 Å²	66.5	30%	0.302	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.7	179.1	-158.9	-100.4	0	0	0	111.2	H244 V246 L254 L295	H244-Y252 HydrophobicContact CB-CE1 3.86Å; H244-Y252 AromaticContact CG-CE1 3.82Å; H244-Y252 AromaticContact ND1-CE1 3.42Å; H244-Y252 WeakPolarHBondContact ND1-CE1 3.39Å; H244-Y252 AromaticContact ND1-CZ 3.59Å; H244-Y252 PolarHBondContact ND1-OH 3.35Å; V246-Y252 HydrophobicContact CB-CG 4.48Å; V246-Y252 HydrophobicContact CG1-CD2 4.13Å; V246-Y252 HydrophobicContact CG1-CG 4.02Å; V246-Y252 HydrophobicContact CG2-CD1 3.67Å; V246-Y252 HydrophobicContact CG2-CD2 3.78Å; V246-Y252 HydrophobicContact CG2-CE1 3.94Å; V246-Y252 HydrophobicContact CG2-CE2 4.06Å; V246-Y252 HydrophobicContact CG2-CG 3.58Å; Y252-L254 HydrophobicContact CD1-CD2 3.84Å; Y252-L254 HydrophobicContact CD1-CG 4.47Å; Y252-L254 HydrophobicContact CE1-CD2 3.59Å; Y252-L295 HydrophobicContact CD1-CD1 4.35Å; Y252-L295 PolarHBondContact N-O 3.01Å; Y252-L295 VanDerWaalsContact N-O 3.16Å; Y252-L295 PolarHBondContact O-N 2.75Å
253	Q	90.5	Very high	76.5	Confident	50 Å²	50	68.2 Å²	68.2	23%	0.234	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.7	-178.4	-176.8	178.1	0.9	0	0	109.6	F255 D290 S292 Y294	Q253-F255 HydrophobicContact CB-CE2 4.27Å; Q253-F255 HydrophobicContact CB-CZ 4.31Å; Q253-F255 HydrophobicContact CG-CD1 4.49Å; Q253-F255 HydrophobicContact CG-CE1 4.03Å; Q253-F255 HydrophobicContact CG-CE2 4.04Å; Q253-F255 HydrophobicContact CG-CZ 3.78Å; Q253-D290 PolarHBondContact NE2-OD2 2.74Å; Q253-S292 PolarHBondContact NE2-OG 3.37Å; Q253-Y294 HydrophobicContact CB-CD1 4.39Å; Q253-Y294 HydrophobicContact CB-CE1 4.2Å; Q253-Y294 VanDerWaalsContact CD-CZ 3.43Å; Q253-Y294 VanDerWaalsContact CD-OH 3.27Å; Q253-Y294 HydrophobicContact CG-CD2 4.34Å; Q253-Y294 HydrophobicContact CG-CE1 4.18Å; Q253-Y294 HydrophobicContact CG-CE2 3.9Å; Q253-Y294 PolarHBondContact NE2-OH 3.24Å; Q253-Y294 PolarHBondContact OE1-OH 2.91Å
254	L	91	Very high	74.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.9	172.7	-58.1	177.4	0	0	0	109.2	Y252 W270 S292 L293 L295 F306 H320 V322	Y252-L254 HydrophobicContact CD1-CD2 3.84Å; Y252-L254 HydrophobicContact CD1-CG 4.47Å; Y252-L254 HydrophobicContact CE1-CD2 3.59Å; L254-W270 HydrophobicContact CB-CH2 3.57Å; L254-W270 HydrophobicContact CB-CZ2 4.1Å; L254-W270 HydrophobicContact CB-CZ3 4.25Å; L254-W270 HydrophobicContact CD1-CH2 4.47Å; L254-W270 HydrophobicContact CD1-CZ3 4.34Å; L254-W270 WeakPolarHBondContact O-CZ2 3.47Å; L254-S292 WeakPolarHBondContact O-CA 3.23Å; L254-L293 HydrophobicContact CB-CB 4.33Å; L254-L293 HydrophobicContact CD1-CD2 4.17Å; L254-L293 PolarHBondContact N-O 2.95Å; L254-L293 PolarHBondContact O-N 3.45Å; L254-L295 HydrophobicContact CD1-CD1 4.4Å; L254-F306 HydrophobicContact CD1-CB 4.42Å; L254-F306 HydrophobicContact CD1-CD2 4.16Å; L254-F306 HydrophobicContact CD1-CG 4.3Å; L254-H320 HydrophobicContact CD1-CB 4.09Å; L254-H320 HydrophobicContact CD2-CB 4.36Å; L254-V322 HydrophobicContact CD1-CG2 3.93Å; L254-V322 HydrophobicContact CD2-CG2 4.21Å
255	F	89.2	Confident	73.2	Confident	100 Å²	100	70.8 Å²	70.8	44%	0.439	40%	0.401	S	S	.	.			trans	-96.2	134.5	176.7	-59.6	-84.5	0	0	0	110.4	Q253 H320	Q253-F255 HydrophobicContact CB-CE2 4.27Å; Q253-F255 HydrophobicContact CB-CZ 4.31Å; Q253-F255 HydrophobicContact CG-CD1 4.49Å; Q253-F255 HydrophobicContact CG-CE1 4.03Å; Q253-F255 HydrophobicContact CG-CE2 4.04Å; Q253-F255 HydrophobicContact CG-CZ 3.78Å; F255-H320 PolarHBondContact O-CE1 3.23Å; F255-H320 PolarHBondContact O-NE2 3.05Å
256	C	85.9	Confident	72.2	Confident	19 Å²	19	67.5 Å²	67.5	13%	0.128	39%	0.39	C	S	.	.			trans	-93.9	99.1	173.4	-165.2	0	0	0	0	109.9	A258 V268 W270 C308	C256-A258 VanDerWaalsContact C-N 3.29Å; C256-A258 PolarHBondContact O-N 3.07Å; C256-V268 HydrophobicContact CB-CG1 3.56Å; C256-V268 HydrophobicContact CB-CG2 4.14Å; C256-W270 HydrophobicContact CB-CZ2 4.15Å; C256-C308 WeakPolarHBondContact CA-SG 3.34Å; C256-C308 HydrophobicContact CB-CB 3.72Å; C256-C308 WeakPolarHBondContact CB-SG 3.35Å; C256-C308 WeakPolarHBondContact SG-CB 2.95Å; C256-C308 CovalentContact SG-SG 2.03Å; C256-C308 PolarHBondContact SG-SG 3.16Å
257	D	79	Confident	71.6	Confident	97 Å²	97	77.4 Å²	77.4	52%	0.519	43%	0.426	S	S	.	.			trans	-96	25.6	-178.6	-53	-36.6	0	0	0	112	K242 Q259 Q318	K242-D257 IonicContact NZ-OD2 3.62Å; K242-D257 PolarHBondContact NZ-OD2 3.11Å; D257-Q259 PolarHBondContact O-N 2.8Å; D257-Q318 VanDerWaalsContact C-CD 3.46Å; D257-Q318 PolarHBondContact O-NE2 3.32Å
258	A	69.3	Low	71.4	Confident	10 Å²	10	76.8 Å²	76.8	8%	0.083	43%	0.426	C	S	.	.			trans	-56.1	134.6	-179.5	0	0	0	0	0	109.6	C256 S260 I310 A316 Q318	C256-A258 VanDerWaalsContact C-N 3.29Å; C256-A258 PolarHBondContact O-N 3.07Å; A258-S260 PolarHBondContact O-N 2.85Å; A258-I310 HydrophobicContact CB-CB 4.38Å; A258-I310 HydrophobicContact CB-CD1 3.52Å; A258-I310 HydrophobicContact CB-CG1 3.73Å; A258-I310 WeakPolarHBondContact O-CD1 3.35Å; A258-A316 WeakPolarHBondContact CB-O 3.33Å; A258-Q318 HydrophobicContact CB-CG 3.99Å
259	Q	60.7	Low	71.3	Confident	167 Å²	167	77.6 Å²	77.6	78%	0.78	43%	0.43	S	S	*	.			trans	-78.4	107.8	177.2	-74.4	-176.9	-1.2	0	0	108.5	D257	D257-Q259 PolarHBondContact O-N 2.8Å
260	S	52.5	Low	71.6	Confident	50 Å²	50	77.7 Å²	77.7	35%	0.35	43%	0.43	S	S	.	.			trans	-88.5	118.1	169.3	168.2	0	0	0	0	109.1	A258 A262	A258-S260 PolarHBondContact O-N 2.85Å; S260-A262 PolarHBondContact O-N 3.33Å; S260-A262 WeakPolarHBondContact OG-CA 3.37Å; S260-A262 WeakPolarHBondContact OG-CB 3.49Å; S260-A262 PolarHBondContact OG-N 3.19Å; S260-A262 PolarHBondContact OG-O 2.71Å; S260-A262 VanDerWaalsContact OG-O 3.09Å
261	N	50.6	Low	71.5	Confident	172 Å²	172	76.4 Å²	76.4	92%	0.92	42%	0.421	S	S	*	.			trans	-73.6	1.7	163.7	-78	-16.9	0	0	0	112.2
262	A	47.5	Very low	71.2	Confident	58 Å²	58	72.8 Å²	72.8	48%	0.479	40%	0.403	S	S	.	.			trans	-95.5	106.3	-179.8	0	0	0	0	0	111	S260 Q264	S260-A262 PolarHBondContact O-N 3.33Å; S260-A262 WeakPolarHBondContact OG-CA 3.37Å; S260-A262 WeakPolarHBondContact OG-CB 3.49Å; S260-A262 PolarHBondContact OG-N 3.19Å; S260-A262 PolarHBondContact OG-O 2.71Å; S260-A262 VanDerWaalsContact OG-O 3.09Å; A262-Q264 PolarHBondContact O-N 2.84Å
263	G	48.1	Very low	70.2	Confident	90 Å²	90	73.2 Å²	73.2	93%	0.928	41%	0.405	S	S	*	.			trans	-70.4	38.2	173	0	0	0	0	0	114.7
264	Q	51.2	Low	69	Low	155 Å²	155	77.1 Å²	77.1	72%	0.724	43%	0.427	S	S	*	.	S	Bend	trans	-143.3	136.7	-179.2	-118.6	165	-9.3	0	0	110.2	A262 S266	A262-Q264 PolarHBondContact O-N 2.84Å; Q264-S266 VanDerWaalsContact C-N 3.33Å; Q264-S266 PolarHBondContact O-N 3.47Å; Q264-S266 PolarHBondContact O-OG 3.2Å
265	A	53.9	Low	67.8	Low	109 Å²	109	82 Å²	82	90%	0.901	45%	0.454	S	S	*	.			trans	-40.3	81.5	-169.9	0	0	0	0	0	115.2
266	S	61.4	Low	67	Low	49 Å²	49	79.6 Å²	79.6	34%	0.343	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-88.8	127.3	-173.9	-66.9	0	0	0	0	109.7	Q264	Q264-S266 VanDerWaalsContact C-N 3.33Å; Q264-S266 PolarHBondContact O-N 3.47Å; Q264-S266 PolarHBondContact O-OG 3.2Å
267	R	74.5	Confident	66.5	Low	211 Å²	211	79.1 Å²	79.1	80%	0.796	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-82.5	137.5	178.6	-71	-178	172.9	172.6	-1.8	110.4	G311	R267-G311 PolarHBondContact O-N 2.64Å
268	V	80.4	Confident	65.5	Low	36 Å²	36	77.1 Å²	77.1	22%	0.218	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.9	171.1	-176.4	0	0	0	0	109.2	C256 G291 C308 I310	C256-V268 HydrophobicContact CB-CG1 3.56Å; C256-V268 HydrophobicContact CB-CG2 4.14Å; V268-G291 WeakPolarHBondContact CG1-O 3.28Å; V268-C308 HydrophobicContact CG1-CB 4.09Å; V268-I310 HydrophobicContact CG2-CG1 4.43Å
269	I	79.9	Confident	64.3	Low	18 Å²	18	83.6 Å²	83.6	9%	0.092	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.3	173.2	-61.4	159.6	0	0	0	108.4	R83 Y271 C308 N309 G311 F312	R83-I269 VanDerWaalsContact NH2-CD1 3.29Å; I269-Y271 HydrophobicContact CB-CE2 3.94Å; I269-Y271 HydrophobicContact CG2-CD2 4.14Å; I269-Y271 HydrophobicContact CG2-CE2 3.44Å; I269-Y271 VanDerWaalsContact CG2-CE2 3.44Å; I269-Y271 WeakPolarHBondContact O-CD2 3.41Å; I269-Y271 WeakPolarHBondContact O-CE2 3.33Å; I269-C308 WeakPolarHBondContact O-CA 3.48Å; I269-N309 PolarHBondContact N-O 3.35Å; I269-N309 PolarHBondContact O-N 2.77Å; I269-G311 WeakPolarHBondContact CD1-O 3.16Å; I269-F312 HydrophobicContact CD1-CD1 3.88Å; I269-F312 HydrophobicContact CD1-CE1 3.7Å
270	W	85.1	Confident	63.6	Low	3 Å²	3	80.1 Å²	80.1	1%	0.011	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.9	175.7	-71.5	93.5	0	0	0	111.7	L254 C256 P276 M277 I287 G291 L293 F306 S307 C308 H320	L254-W270 HydrophobicContact CB-CH2 3.57Å; L254-W270 HydrophobicContact CB-CZ2 4.1Å; L254-W270 HydrophobicContact CB-CZ3 4.25Å; L254-W270 HydrophobicContact CD1-CH2 4.47Å; L254-W270 HydrophobicContact CD1-CZ3 4.34Å; L254-W270 WeakPolarHBondContact O-CZ2 3.47Å; C256-W270 HydrophobicContact CB-CZ2 4.15Å; W270-P276 WeakPolarHBondContact O-CA 3.45Å; W270-M277 HydrophobicContact CB-CB 4.31Å; W270-M277 HydrophobicContact CB-CG 4.33Å; W270-M277 HydrophobicContact CB-SD 3.86Å; W270-M277 PolarHBondContact O-N 3.06Å; W270-I287 HydrophobicContact CB-CD1 4.37Å; W270-G291 PolarHBondContact NE1-O 2.94Å; W270-L293 HydrophobicContact CD2-CB 3.65Å; W270-L293 HydrophobicContact CD2-CD2 3.92Å; W270-L293 HydrophobicContact CD2-CG 4.39Å; W270-L293 VanDerWaalsContact CE2-CB 3.43Å; W270-L293 HydrophobicContact CE3-CB 4.15Å; W270-L293 HydrophobicContact CE3-CD2 3.77Å; W270-L293 HydrophobicContact CG-CB 4.05Å; W270-L293 HydrophobicContact CG-CD2 4.3Å; W270-L293 HydrophobicContact CH2-CB 4.27Å; W270-L293 HydrophobicContact CZ2-CB 3.77Å; W270-L293 HydrophobicContact CZ3-CB 4.43Å; W270-L293 HydrophobicContact CZ3-CD2 4.26Å; W270-F306 HydrophobicContact CE3-CB 3.96Å; W270-F306 HydrophobicContact CZ3-CB 3.93Å; W270-S307 CarbonylContact C-O 3.56Å; W270-S307 WeakPolarHBondContact CA-O 3.4Å; W270-C308 HydrophobicContact CD2-CB 3.82Å; W270-C308 HydrophobicContact CE3-CB 3.7Å; W270-C308 HydrophobicContact CH2-CB 3.83Å; W270-C308 HydrophobicContact CZ2-CB 3.94Å; W270-C308 HydrophobicContact CZ3-CB 3.72Å; W270-H320 AromaticContact CH2-CD2 3.61Å; W270-H320 AromaticContact CH2-NE2 3.68Å; W270-H320 AromaticContact CZ3-CD2 3.58Å
271	Y	81.1	Confident	63.5	Low	32 Å²	32	79.9 Å²	79.9	13%	0.125	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.5	178.9	-63.7	-101.1	0	0	0	109.3	I269 N275 P276 F306 S307 N309	I269-Y271 HydrophobicContact CB-CE2 3.94Å; I269-Y271 HydrophobicContact CG2-CD2 4.14Å; I269-Y271 HydrophobicContact CG2-CE2 3.44Å; I269-Y271 VanDerWaalsContact CG2-CE2 3.44Å; I269-Y271 WeakPolarHBondContact O-CD2 3.41Å; I269-Y271 WeakPolarHBondContact O-CE2 3.33Å; Y271-N275 CarbonylContact C-O 3.54Å; Y271-N275 VanDerWaalsContact CA-O 3.29Å; Y271-N275 WeakPolarHBondContact CA-O 3Å; Y271-P276 HydrophobicContact CD1-CB 4.39Å; Y271-P276 HydrophobicContact CD1-CG 4.08Å; Y271-P276 HydrophobicContact CE1-CB 4.25Å; Y271-P276 HydrophobicContact CE1-CG 3.75Å; Y271-F306 CarbonylContact O-C 3.53Å; Y271-F306 WeakPolarHBondContact O-CA 3.24Å; Y271-S307 PolarHBondContact N-O 2.78Å; Y271-S307 PolarHBondContact O-N 3.06Å; Y271-N309 HydrophobicContact CE2-CB 4.32Å
272	R	74.8	Confident	63.7	Low	26 Å²	26	74.7 Å²	74.7	10%	0.098	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.7	169.4	-170.8	-178.9	174.6	139.8	2.4	108.3	N274 N275 M277 I301 N303 F306	R272-N274 PolarHBondContact O-N 3.27Å; R272-N275 PolarHBondContact N-O 2.81Å; R272-N275 WeakPolarHBondContact O-CB 3.05Å; R272-N275 PolarHBondContact O-N 2.89Å; R272-M277 HydrophobicContact CB-CG 4.07Å; R272-M277 HydrophobicContact CB-SD 4.1Å; R272-I301 PolarHBondContact NH1-O 2.72Å; R272-I301 PolarHBondContact NH2-O 2.78Å; R272-N303 PolarHBondContact NH2-O 3.1Å; R272-F306 HydrophobicContact CB-CD1 4.45Å; R272-F306 HydrophobicContact CG-CD1 4.4Å; R272-F306 HydrophobicContact CG-CE1 4.31Å
273	Y	68.4	Low	64.2	Low	85 Å²	85	77.8 Å²	77.8	33%	0.333	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	44.2	-172.8	-47.1	-64.6	0	0	0	112.5	N275	Y273-N275 PolarHBondContact O-N 3Å; Y273-N275 PolarHBondContact O-ND2 3Å
274	N	64.6	Low	65	Low	132 Å²	132	74.8 Å²	74.8	71%	0.706	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	6.8	-175	-59.3	-17.1	0	0	0	116	R272	R272-N274 PolarHBondContact O-N 3.27Å
275	N	66.2	Low	66.1	Low	103 Å²	103	68.5 Å²	68.5	55%	0.551	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.5	174.5	-69.3	-63.3	0	0	0	110.8	Y271 R272 Y273 M277	Y271-N275 CarbonylContact C-O 3.54Å; Y271-N275 VanDerWaalsContact CA-O 3.29Å; Y271-N275 WeakPolarHBondContact CA-O 3Å; R272-N275 PolarHBondContact N-O 2.81Å; R272-N275 WeakPolarHBondContact O-CB 3.05Å; R272-N275 PolarHBondContact O-N 2.89Å; Y273-N275 PolarHBondContact O-N 3Å; Y273-N275 PolarHBondContact O-ND2 3Å; N275-M277 PolarHBondContact O-N 3.06Å
276	P	72.3	Confident	67.1	Low	50 Å²	50	67.5 Å²	67.5	33%	0.325	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	125.9	175.5	-17.7	27.3	0	0	0	111.4	W270 Y271 A278 T280	W270-P276 WeakPolarHBondContact O-CA 3.45Å; Y271-P276 HydrophobicContact CD1-CB 4.39Å; Y271-P276 HydrophobicContact CD1-CG 4.08Å; Y271-P276 HydrophobicContact CE1-CB 4.25Å; Y271-P276 HydrophobicContact CE1-CG 3.75Å; P276-A278 PolarHBondContact O-N 3.46Å; P276-T280 PolarHBondContact O-OG1 3.32Å
277	M	74.4	Confident	67.9	Low	8 Å²	8	68.5 Å²	68.5	4%	0.039	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-71.1	-17.7	-179.5	-65.3	179.9	64.4	0	0	112.9	W270 R272 N275 N279 T280 A281 F285 I287 L293 F306	W270-M277 HydrophobicContact CB-CB 4.31Å; W270-M277 HydrophobicContact CB-CG 4.33Å; W270-M277 HydrophobicContact CB-SD 3.86Å; W270-M277 PolarHBondContact O-N 3.06Å; R272-M277 HydrophobicContact CB-CG 4.07Å; R272-M277 HydrophobicContact CB-SD 4.1Å; N275-M277 PolarHBondContact O-N 3.06Å; M277-N279 PolarHBondContact O-N 2.85Å; M277-T280 PolarHBondContact O-N 2.95Å; M277-A281 WeakPolarHBondContact O-CB 3.48Å; M277-A281 PolarHBondContact O-N 3.28Å; M277-F285 HydrophobicContact CE-CB 3.5Å; M277-F285 VanDerWaalsContact CE-CB 3.5Å; M277-F285 HydrophobicContact CE-CD1 3.5Å; M277-F285 VanDerWaalsContact CE-CD1 3.5Å; M277-F285 HydrophobicContact CE-CD2 4.31Å; M277-F285 HydrophobicContact CE-CE1 4.34Å; M277-F285 HydrophobicContact CE-CG 3.48Å; M277-F285 VanDerWaalsContact CE-CG 3.48Å; M277-I287 HydrophobicContact CB-CD1 4.29Å; M277-L293 HydrophobicContact CE-CD1 3.71Å; M277-L293 HydrophobicContact CE-CD2 4.04Å; M277-L293 HydrophobicContact SD-CD1 4.41Å; M277-L293 HydrophobicContact SD-CD2 3.93Å; M277-F306 HydrophobicContact CE-CE1 4.44Å; M277-F306 HydrophobicContact SD-CD1 3.96Å; M277-F306 HydrophobicContact SD-CE1 4.37Å
278	A	57.7	Low	67.9	Low	56 Å²	56	60.6 Å²	60.6	46%	0.463	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16	-173.2	0	0	0	0	0	115.7	K32 P276	K32-A278 PolarHBondContact NZ-O 3.31Å; P276-A278 PolarHBondContact O-N 3.46Å
279	N	44.3	Very low	67.6	Low	146 Å²	146	71.3 Å²	71.3	78%	0.781	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-124	0.6	177.5	-69.9	-12.5	0	0	0	113.2	M277	M277-N279 PolarHBondContact O-N 2.85Å
280	T	47.4	Very low	67.4	Low	93 Å²	93	74.6 Å²	74.6	57%	0.571	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.3	-17.6	-170.8	-28.3	0	0	0	0	112.6	P276 M277 P282	P276-T280 PolarHBondContact O-OG1 3.32Å; M277-T280 PolarHBondContact O-N 2.95Å; T280-P282 WeakPolarHBondContact O-CD 3.37Å; T280-P282 VanDerWaalsContact O-CG 3.29Å; T280-P282 WeakPolarHBondContact O-CG 3.28Å
281	A	50.4	Low	67.1	Low	46 Å²	46	74.9 Å²	74.9	38%	0.38	39%	0.387	S	S	.	.			trans	-44.6	94.9	-174	0	0	0	0	0	111.3	M277 F285	M277-A281 WeakPolarHBondContact O-CB 3.48Å; M277-A281 PolarHBondContact O-N 3.28Å; A281-F285 HydrophobicContact CB-CB 4.37Å
282	P	54.3	Low	67.3	Low	62 Å²	62	73.7 Å²	73.7	40%	0.403	38%	0.383	S	S	.	.			trans	-63.3	165.2	175.3	-17.1	32.4	0	0	0	108	T280 N284 F285	T280-P282 WeakPolarHBondContact O-CD 3.37Å; T280-P282 VanDerWaalsContact O-CG 3.29Å; T280-P282 WeakPolarHBondContact O-CG 3.28Å; P282-N284 PolarHBondContact O-N 3.36Å; P282-F285 HydrophobicContact CG-CD2 4.4Å; P282-F285 HydrophobicContact CG-CE2 4.33Å; P282-F285 PolarHBondContact O-N 2.79Å
283	Y	57.9	Low	68	Low	124 Å²	124	72.4 Å²	72.4	49%	0.486	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	7.6	-179.7	-60.9	-77.7	0	0	0	117.8	K547 H599 S600	Y283-K547 PolarHBondContact O-NZ 2.84Å; Y283-H599 AromaticContact CD2-CD2 3.35Å; Y283-H599 WeakPolarHBondContact CD2-CD2 3.15Å; Y283-H599 AromaticContact CD2-NE2 3.22Å; Y283-H599 WeakPolarHBondContact CD2-NE2 3.24Å; Y283-H599 AromaticContact CE2-CD2 3.48Å; Y283-H599 VanDerWaalsContact CE2-CD2 3.48Å; Y283-H599 WeakPolarHBondContact CE2-CD2 3.22Å; Y283-H599 AromaticContact CE2-NE2 3.79Å; Y283-H599 AromaticContact CG-NE2 3.98Å; Y283-S600 VanDerWaalsContact CZ-CB 3.41Å; Y283-S600 WeakPolarHBondContact OH-CB 3.14Å
284	N	65.4	Low	68.8	Low	26 Å²	26	71.6 Å²	71.6	14%	0.139	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-9.2	-179.4	-59.1	-37.8	0	0	0	112.9	P282 I301 H302 Y548	P282-N284 PolarHBondContact O-N 3.36Å; N284-I301 HydrophobicContact CB-CD1 3.39Å; N284-I301 HydrophobicContact CB-CG1 4.45Å; N284-I301 WeakPolarHBondContact ND2-CD1 3.49Å; N284-H302 PolarHBondContact O-NE2 3.06Å; N284-Y548 PolarHBondContact OD1-OH 3.31Å
285	F	73.4	Confident	69.8	Low	23 Å²	23	65.3 Å²	65.3	10%	0.101	34%	0.342	C	S	.	.			trans	-128	127.4	-178.3	-52.1	-91.7	0	0	0	110.6	M277 A281 P282 L293 L295 H302 F306	M277-F285 HydrophobicContact CE-CB 3.5Å; M277-F285 VanDerWaalsContact CE-CB 3.5Å; M277-F285 HydrophobicContact CE-CD1 3.5Å; M277-F285 VanDerWaalsContact CE-CD1 3.5Å; M277-F285 HydrophobicContact CE-CD2 4.31Å; M277-F285 HydrophobicContact CE-CE1 4.34Å; M277-F285 HydrophobicContact CE-CG 3.48Å; M277-F285 VanDerWaalsContact CE-CG 3.48Å; A281-F285 HydrophobicContact CB-CB 4.37Å; P282-F285 HydrophobicContact CG-CD2 4.4Å; P282-F285 HydrophobicContact CG-CE2 4.33Å; P282-F285 PolarHBondContact O-N 2.79Å; F285-L293 HydrophobicContact CB-CD1 4.2Å; F285-L295 HydrophobicContact CD1-CD2 4.42Å; F285-H302 AromaticContact CD1-CD2 3.79Å; F285-H302 AromaticContact CE1-CD2 3.41Å; F285-H302 VanDerWaalsContact CE1-CD2 3.41Å; F285-H302 WeakPolarHBondContact CE1-CD2 3.36Å; F285-F306 HydrophobicContact CD1-CE1 4.08Å; F285-F306 AromaticContact CE1-CE1 3.74Å; F285-F306 HydrophobicContact CE1-CE1 3.74Å; F285-F306 AromaticContact CE1-CZ 3.99Å; F285-F306 HydrophobicContact CE1-CZ 3.99Å
286	E	76	Confident	70.2	Confident	88 Å²	88	61 Å²	61	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.5	-179.7	-67.3	175.3	163.9	0	0	109	Y294 T296 H559	E286-Y294 PolarHBondContact N-O 3.29Å; E286-Y294 WeakPolarHBondContact O-CB 3.2Å; E286-Y294 PolarHBondContact O-N 3.09Å; E286-T296 PolarHBondContact OE2-OG1 3.5Å; E286-H559 IonicContact OE1-CE1 2.96Å
287	I	78.1	Confident	70.3	Confident	71 Å²	71	58.9 Å²	58.9	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.5	173	-58.6	172.5	0	0	0	107.2	W270 M277 S292 L293	W270-I287 HydrophobicContact CB-CD1 4.37Å; M277-I287 HydrophobicContact CB-CD1 4.29Å; I287-S292 WeakPolarHBondContact CA-O 3Å; I287-L293 HydrophobicContact CG1-CD1 3.94Å
288	S	74.2	Confident	70.7	Confident	44 Å²	44	58.5 Å²	58.5	31%	0.308	30%	0.304	S	S	.	.			trans	-74.9	165.6	-179.7	160.8	0	0	0	0	111.8	D290 G291 S292	S288-D290 WeakPolarHBondContact CB-OD1 3.43Å; S288-D290 PolarHBondContact O-N 3.32Å; S288-D290 PolarHBondContact OG-OD1 2.95Å; S288-G291 PolarHBondContact O-N 3.27Å; S288-S292 PolarHBondContact N-O 2.98Å
289	R	73.7	Confident	71.7	Confident	261 Å²	261	56.2 Å²	56.2	99%	0.985	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.5	179.6	-72.5	-173.9	-86.5	-164.8	-6.5	113.3	G291	R289-G291 PolarHBondContact O-N 3.3Å
290	D	74.9	Confident	73	Confident	87 Å²	87	50.6 Å²	50.6	47%	0.465	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.8	173.8	69	-21.3	0	0	0	113.3	Q253 S288 S292	Q253-D290 PolarHBondContact NE2-OD2 2.74Å; S288-D290 WeakPolarHBondContact CB-OD1 3.43Å; S288-D290 PolarHBondContact O-N 3.32Å; S288-D290 PolarHBondContact OG-OD1 2.95Å; D290-S292 VanDerWaalsContact CG-OG 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.15Å; D290-S292 PolarHBondContact OD1-OG 3.15Å; D290-S292 WeakPolarHBondContact OD2-CB 3.4Å; D290-S292 PolarHBondContact OD2-OG 3.18Å
291	G	79.1	Confident	74.3	Confident	10 Å²	10	46.8 Å²	46.8	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	86.6	2.3	-177.2	0	0	0	0	0	114.4	V268 W270 S288 R289	V268-G291 WeakPolarHBondContact CG1-O 3.28Å; W270-G291 PolarHBondContact NE1-O 2.94Å; S288-G291 PolarHBondContact O-N 3.27Å; R289-G291 PolarHBondContact O-N 3.3Å
292	S	86.2	Confident	75.9	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.042	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73.9	145.8	175.8	-61.2	0	0	0	0	111.9	Q253 L254 I287 S288 D290	Q253-S292 PolarHBondContact NE2-OG 3.37Å; L254-S292 WeakPolarHBondContact O-CA 3.23Å; I287-S292 WeakPolarHBondContact CA-O 3Å; S288-S292 PolarHBondContact N-O 2.98Å; D290-S292 VanDerWaalsContact CG-OG 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.15Å; D290-S292 PolarHBondContact OD1-OG 3.15Å; D290-S292 WeakPolarHBondContact OD2-CB 3.4Å; D290-S292 PolarHBondContact OD2-OG 3.18Å
293	L	88.3	Confident	77.1	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.9	175.3	175.6	64.7	0	0	0	110.7	L254 W270 M277 F285 I287 L295 F306	L254-L293 HydrophobicContact CB-CB 4.33Å; L254-L293 HydrophobicContact CD1-CD2 4.17Å; L254-L293 PolarHBondContact N-O 2.95Å; L254-L293 PolarHBondContact O-N 3.45Å; W270-L293 HydrophobicContact CD2-CB 3.65Å; W270-L293 HydrophobicContact CD2-CD2 3.92Å; W270-L293 HydrophobicContact CD2-CG 4.39Å; W270-L293 VanDerWaalsContact CE2-CB 3.43Å; W270-L293 HydrophobicContact CE3-CB 4.15Å; W270-L293 HydrophobicContact CE3-CD2 3.77Å; W270-L293 HydrophobicContact CG-CB 4.05Å; W270-L293 HydrophobicContact CG-CD2 4.3Å; W270-L293 HydrophobicContact CH2-CB 4.27Å; W270-L293 HydrophobicContact CZ2-CB 3.77Å; W270-L293 HydrophobicContact CZ3-CB 4.43Å; W270-L293 HydrophobicContact CZ3-CD2 4.26Å; M277-L293 HydrophobicContact CE-CD1 3.71Å; M277-L293 HydrophobicContact CE-CD2 4.04Å; M277-L293 HydrophobicContact SD-CD1 4.41Å; M277-L293 HydrophobicContact SD-CD2 3.93Å; F285-L293 HydrophobicContact CB-CD1 4.2Å; I287-L293 HydrophobicContact CG1-CD1 3.94Å; L293-L295 HydrophobicContact CG-CD2 4.31Å; L293-F306 HydrophobicContact CD2-CB 4.35Å; L293-F306 HydrophobicContact CD2-CD1 3.51Å; L293-F306 HydrophobicContact CD2-CE1 4.01Å; L293-F306 HydrophobicContact CD2-CG 4.06Å
294	Y	86.1	Confident	78.1	Confident	67 Å²	67	37.1 Å²	37.1	26%	0.263	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.8	-179.1	-78.4	-102.6	0	0	0	111.2	Q253 E286 T296	Q253-Y294 HydrophobicContact CB-CD1 4.39Å; Q253-Y294 HydrophobicContact CB-CE1 4.2Å; Q253-Y294 VanDerWaalsContact CD-CZ 3.43Å; Q253-Y294 VanDerWaalsContact CD-OH 3.27Å; Q253-Y294 HydrophobicContact CG-CD2 4.34Å; Q253-Y294 HydrophobicContact CG-CE1 4.18Å; Q253-Y294 HydrophobicContact CG-CE2 3.9Å; Q253-Y294 PolarHBondContact NE2-OH 3.24Å; Q253-Y294 PolarHBondContact OE1-OH 2.91Å; E286-Y294 PolarHBondContact N-O 3.29Å; E286-Y294 WeakPolarHBondContact O-CB 3.2Å; E286-Y294 PolarHBondContact O-N 3.09Å; Y294-T296 HydrophobicContact CD1-CG2 4.1Å
295	L	84.8	Confident	79	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	93.2	175	-43.3	177.8	0	0	0	107.4	Y252 L254 F285 L293 A298 H302 F306 V322	Y252-L295 HydrophobicContact CD1-CD1 4.35Å; Y252-L295 PolarHBondContact N-O 3.01Å; Y252-L295 VanDerWaalsContact N-O 3.16Å; Y252-L295 PolarHBondContact O-N 2.75Å; L254-L295 HydrophobicContact CD1-CD1 4.4Å; F285-L295 HydrophobicContact CD1-CD2 4.42Å; L293-L295 HydrophobicContact CG-CD2 4.31Å; L295-A298 HydrophobicContact CB-CB 4.21Å; L295-A298 PolarHBondContact O-N 3.18Å; L295-H302 HydrophobicContact CB-CB 4.5Å; L295-H302 HydrophobicContact CD1-CB 4.1Å; L295-H302 HydrophobicContact CD2-CB 4.15Å; L295-H302 HydrophobicContact CG-CB 4.48Å; L295-F306 HydrophobicContact CD2-CZ 4.45Å; L295-V322 HydrophobicContact CD1-CG1 4.02Å; L295-V322 HydrophobicContact CD1-CG2 4.29Å
296	T	75	Confident	79.6	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.086	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	102.5	-161.7	43.8	0	0	0	0	112.9	H251 E286 Y294 T558	H251-T296 HydrophobicContact CB-CG2 3.87Å; H251-T296 WeakPolarHBondContact ND1-CG2 3.48Å; E286-T296 PolarHBondContact OE2-OG1 3.5Å; Y294-T296 HydrophobicContact CD1-CG2 4.1Å; T296-T558 WeakPolarHBondContact O-CG2 3.24Å
297	P	75.7	Confident	80.1	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.032	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-73.6	149.9	-14.5	34	-35.3	0	0	0	111	G249 T299 H302 Y548 T558	G249-P297 WeakPolarHBondContact O-CB 3.44Å; P297-T299 PolarHBondContact O-N 3.25Å; P297-T299 VanDerWaalsContact O-N 3.11Å; P297-H302 PolarHBondContact O-CE1 3.14Å; P297-H302 VanDerWaalsContact O-CE1 3.26Å; P297-Y548 HydrophobicContact CG-CD2 4.36Å; P297-Y548 HydrophobicContact CG-CE2 4.45Å; P297-T558 VanDerWaalsContact CD-CG2 3.42Å
298	A	82.4	Confident	80.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.			trans	-64.7	114.1	175.7	0	0	0	0	0	111	V246 A248 G249 N250 L295 V324	V246-A298 HydrophobicContact CG1-CB 3.55Å; A248-A298 CarbonylContact C-O 3.53Å; A248-A298 WeakPolarHBondContact CA-O 3.37Å; G249-A298 PolarHBondContact N-O 2.91Å; N250-A298 VanDerWaalsContact O-CB 3.23Å; N250-A298 WeakPolarHBondContact O-CB 3.5Å; N250-A298 PolarHBondContact O-N 3.17Å; L295-A298 HydrophobicContact CB-CB 4.21Å; L295-A298 PolarHBondContact O-N 3.18Å; A298-V324 HydrophobicContact CB-CG2 4.39Å
299	T	78.6	Confident	80.9	Confident	7 Å²	7	29 Å²	29	4%	0.043	14%	0.142	C	C	.	.			trans	-114.9	172.6	169.6	61	0	0	0	0	112.6	P297 I301 H302 V324 Y548 I553	P297-T299 PolarHBondContact O-N 3.25Å; P297-T299 VanDerWaalsContact O-N 3.11Å; T299-I301 PolarHBondContact O-N 3.08Å; T299-I301 VanDerWaalsContact OG1-CD1 3.29Å; T299-I301 WeakPolarHBondContact OG1-CD1 3.44Å; T299-I301 VanDerWaalsContact OG1-CG1 3.24Å; T299-I301 WeakPolarHBondContact OG1-CG1 3.49Å; T299-H302 PolarHBondContact N-CE1 3.45Å; T299-H302 VanDerWaalsContact N-CE1 3.32Å; T299-H302 PolarHBondContact N-ND1 3.1Å; T299-H302 WeakPolarHBondContact O-CB 3.09Å; T299-H302 PolarHBondContact O-N 3.01Å; T299-H302 PolarHBondContact O-ND1 2.88Å; T299-H302 PolarHBondContact OG1-CE1 3.06Å; T299-H302 PolarHBondContact OG1-ND1 3.36Å; T299-V324 WeakPolarHBondContact O-CG2 3.42Å; T299-Y548 HydrophobicContact CG2-CD1 4.38Å; T299-Y548 HydrophobicContact CG2-CD2 3.28Å; T299-Y548 HydrophobicContact CG2-CE1 4.3Å; T299-Y548 HydrophobicContact CG2-CE2 3.17Å; T299-Y548 HydrophobicContact CG2-CG 3.89Å; T299-I553 HydrophobicContact CG2-CD1 4.29Å
300	L	70.9	Confident	81	Confident	29 Å²	29	18 Å²	18	15%	0.152	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-55.1	-23.1	-178.9	-64	-180	0	0	0	114.3	Q140 H302 N303 E326 H355	Q140-L300 PolarHBondContact NE2-O 2.67Å; L300-H302 PolarHBondContact O-N 3.33Å; L300-N303 VanDerWaalsContact O-CB 3.31Å; L300-N303 WeakPolarHBondContact O-CB 3.32Å; L300-N303 PolarHBondContact O-N 2.88Å; L300-N303 PolarHBondContact O-ND2 3.17Å; L300-E326 HydrophobicContact CD1-CG 4.48Å; L300-E326 WeakPolarHBondContact CD1-OE1 3.44Å; L300-E326 HydrophobicContact CD2-CG 4Å; L300-E326 HydrophobicContact CG-CG 4.22Å; L300-E326 WeakPolarHBondContact CG-OE1 3.46Å; L300-H355 HydrophobicContact CD1-CB 4.25Å; L300-H355 HydrophobicContact CD2-CB 3.67Å; L300-H355 VanDerWaalsContact CD2-CG 3.45Å
301	I	75.6	Confident	80.6	Confident	13 Å²	13	14.4 Å²	14.4	7%	0.067	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.8	174.7	72.7	-164.3	0	0	0	112.6	E133 I136 R272 N284 T299 N303	E133-I301 HydrophobicContact CG-CG2 3.82Å; I136-I301 HydrophobicContact CD1-CB 4.25Å; I136-I301 HydrophobicContact CD1-CG2 4.36Å; R272-I301 PolarHBondContact NH1-O 2.72Å; R272-I301 PolarHBondContact NH2-O 2.78Å; N284-I301 HydrophobicContact CB-CD1 3.39Å; N284-I301 HydrophobicContact CB-CG1 4.45Å; N284-I301 WeakPolarHBondContact ND2-CD1 3.49Å; T299-I301 PolarHBondContact O-N 3.08Å; T299-I301 VanDerWaalsContact OG1-CD1 3.29Å; T299-I301 WeakPolarHBondContact OG1-CD1 3.44Å; T299-I301 VanDerWaalsContact OG1-CG1 3.24Å; T299-I301 WeakPolarHBondContact OG1-CG1 3.49Å; I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.16Å
302	H	83.5	Confident	79.8	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-84.2	0.4	178.7	-50.4	93.5	0	0	0	112.7	N284 F285 L295 P297 T299 L300 F306 V322 V324	N284-H302 PolarHBondContact O-NE2 3.06Å; F285-H302 AromaticContact CD1-CD2 3.79Å; F285-H302 AromaticContact CE1-CD2 3.41Å; F285-H302 VanDerWaalsContact CE1-CD2 3.41Å; F285-H302 WeakPolarHBondContact CE1-CD2 3.36Å; L295-H302 HydrophobicContact CB-CB 4.5Å; L295-H302 HydrophobicContact CD1-CB 4.1Å; L295-H302 HydrophobicContact CD2-CB 4.15Å; L295-H302 HydrophobicContact CG-CB 4.48Å; P297-H302 PolarHBondContact O-CE1 3.14Å; P297-H302 VanDerWaalsContact O-CE1 3.26Å; T299-H302 PolarHBondContact N-CE1 3.45Å; T299-H302 VanDerWaalsContact N-CE1 3.32Å; T299-H302 PolarHBondContact N-ND1 3.1Å; T299-H302 WeakPolarHBondContact O-CB 3.09Å; T299-H302 PolarHBondContact O-N 3.01Å; T299-H302 PolarHBondContact O-ND1 2.88Å; T299-H302 PolarHBondContact OG1-CE1 3.06Å; T299-H302 PolarHBondContact OG1-ND1 3.36Å; L300-H302 PolarHBondContact O-N 3.33Å; H302-F306 WeakPolarHBondContact O-CE2 3.48Å; H302-F306 WeakPolarHBondContact O-CZ 3.47Å; H302-V322 WeakPolarHBondContact O-CB 3.46Å; H302-V322 WeakPolarHBondContact O-CG1 3.05Å; H302-V324 HydrophobicContact CB-CG2 4.02Å
303	N	78.8	Confident	78.4	Confident	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.123	C	C	.	.			trans	-63.7	144.5	169.3	-82.3	-38.7	0	0	0	111.5	Q140 R272 L300 I301 V322 L323 V324	Q140-N303 HydrophobicContact CG-CB 4.19Å; Q140-N303 PolarHBondContact NE2-ND2 3.48Å; Q140-N303 PolarHBondContact OE1-ND2 3.12Å; Q140-N303 VanDerWaalsContact OE1-ND2 3.1Å; R272-N303 PolarHBondContact NH2-O 3.1Å; L300-N303 VanDerWaalsContact O-CB 3.31Å; L300-N303 WeakPolarHBondContact O-CB 3.32Å; L300-N303 PolarHBondContact O-N 2.88Å; L300-N303 PolarHBondContact O-ND2 3.17Å; I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.16Å; N303-V322 WeakPolarHBondContact CA-O 3.46Å; N303-V322 PolarHBondContact OD1-O 2.93Å; N303-L323 WeakPolarHBondContact OD1-CA 3.32Å; N303-V324 PolarHBondContact OD1-N 2.6Å
304	G	78.8	Confident	77.1	Confident	21 Å²	21	27.8 Å²	27.8	22%	0.216	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-164.5	173.6	0	0	0	0	0	113.1	T321 V322	G304-T321 WeakPolarHBondContact O-CA 3.25Å; G304-V322 PolarHBondContact N-O 3.02Å; G304-V322 PolarHBondContact O-N 3.36Å
305	N	84.1	Confident	75.6	Confident	40 Å²	40	28.6 Å²	28.6	21%	0.214	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.7	-176.8	-69	-8.4	0	0	0	110.8	G229 T319 H320 T321	G229-N305 PolarHBondContact O-ND2 3.35Å; N305-T319 HydrophobicContact CB-CG2 4.01Å; N305-H320 CarbonylContact C-O 3.54Å; N305-H320 WeakPolarHBondContact CA-O 3.42Å; N305-T321 WeakPolarHBondContact OD1-CA 3.17Å; N305-T321 WeakPolarHBondContact OD1-CB 3.44Å; N305-T321 WeakPolarHBondContact OD1-CG2 3.21Å; N305-T321 PolarHBondContact OD1-OG1 2.73Å
306	F	86.7	Confident	74.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.5	169.8	-57.7	-96.2	0	0	0	107.9	L254 W270 Y271 R272 M277 F285 L293 L295 H302 T319 H320 V322	L254-F306 HydrophobicContact CD1-CB 4.42Å; L254-F306 HydrophobicContact CD1-CD2 4.16Å; L254-F306 HydrophobicContact CD1-CG 4.3Å; W270-F306 HydrophobicContact CE3-CB 3.96Å; W270-F306 HydrophobicContact CZ3-CB 3.93Å; Y271-F306 CarbonylContact O-C 3.53Å; Y271-F306 WeakPolarHBondContact O-CA 3.24Å; R272-F306 HydrophobicContact CB-CD1 4.45Å; R272-F306 HydrophobicContact CG-CD1 4.4Å; R272-F306 HydrophobicContact CG-CE1 4.31Å; M277-F306 HydrophobicContact CE-CE1 4.44Å; M277-F306 HydrophobicContact SD-CD1 3.96Å; M277-F306 HydrophobicContact SD-CE1 4.37Å; F285-F306 HydrophobicContact CD1-CE1 4.08Å; F285-F306 AromaticContact CE1-CE1 3.74Å; F285-F306 HydrophobicContact CE1-CE1 3.74Å; F285-F306 AromaticContact CE1-CZ 3.99Å; F285-F306 HydrophobicContact CE1-CZ 3.99Å; L293-F306 HydrophobicContact CD2-CB 4.35Å; L293-F306 HydrophobicContact CD2-CD1 3.51Å; L293-F306 HydrophobicContact CD2-CE1 4.01Å; L293-F306 HydrophobicContact CD2-CG 4.06Å; L295-F306 HydrophobicContact CD2-CZ 4.45Å; H302-F306 WeakPolarHBondContact O-CE2 3.48Å; H302-F306 WeakPolarHBondContact O-CZ 3.47Å; F306-T319 CarbonylContact O-C 3.51Å; F306-T319 WeakPolarHBondContact O-CA 3.47Å; F306-H320 HydrophobicContact CB-CB 4.37Å; F306-H320 PolarHBondContact N-O 3.07Å; F306-H320 PolarHBondContact O-N 3.38Å; F306-V322 HydrophobicContact CD2-CB 4.44Å; F306-V322 HydrophobicContact CD2-CG2 3.79Å; F306-V322 HydrophobicContact CE2-CB 4.06Å; F306-V322 HydrophobicContact CE2-CG2 3.78Å
307	S	86.6	Confident	74.6	Confident	28 Å²	28	29.3 Å²	29.3	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.2	177.3	-58.2	0	0	0	0	109.1	W270 Y271 Q318 T319	W270-S307 CarbonylContact C-O 3.56Å; W270-S307 WeakPolarHBondContact CA-O 3.4Å; Y271-S307 PolarHBondContact N-O 2.78Å; Y271-S307 PolarHBondContact O-N 3.06Å; S307-Q318 CarbonylContact C-O 3.58Å; S307-Q318 VanDerWaalsContact CA-O 3.25Å; S307-Q318 WeakPolarHBondContact CA-O 3.42Å; S307-T319 PolarHBondContact OG-OG1 3.24Å
308	C	87.4	Confident	75	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.7	175.2	74.8	0	0	0	0	109.6	C256 V268 I269 W270 G317 Q318	C256-C308 WeakPolarHBondContact CA-SG 3.34Å; C256-C308 HydrophobicContact CB-CB 3.72Å; C256-C308 WeakPolarHBondContact CB-SG 3.35Å; C256-C308 WeakPolarHBondContact SG-CB 2.95Å; C256-C308 CovalentContact SG-SG 2.03Å; C256-C308 PolarHBondContact SG-SG 3.16Å; V268-C308 HydrophobicContact CG1-CB 4.09Å; I269-C308 WeakPolarHBondContact O-CA 3.48Å; W270-C308 HydrophobicContact CD2-CB 3.82Å; W270-C308 HydrophobicContact CE3-CB 3.7Å; W270-C308 HydrophobicContact CH2-CB 3.83Å; W270-C308 HydrophobicContact CZ2-CB 3.94Å; W270-C308 HydrophobicContact CZ3-CB 3.72Å; C308-G317 CarbonylContact O-C 3.6Å; C308-G317 VanDerWaalsContact O-CA 3.22Å; C308-G317 WeakPolarHBondContact O-CA 3.46Å; C308-Q318 PolarHBondContact N-O 3.08Å; C308-Q318 PolarHBondContact O-N 3.17Å
309	N	81.3	Confident	75.1	Confident	13 Å²	13	30.8 Å²	30.8	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.4	172	-62.7	-9.3	0	0	0	108.4	I269 Y271 D314 G317	I269-N309 PolarHBondContact N-O 3.35Å; I269-N309 PolarHBondContact O-N 2.77Å; Y271-N309 HydrophobicContact CE2-CB 4.32Å; N309-D314 PolarHBondContact ND2-OD1 3.27Å; N309-G317 WeakPolarHBondContact OD1-CA 3.5Å
310	I	75.9	Confident	75.6	Confident	30 Å²	30	30.5 Å²	30.5	15%	0.154	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.1	172.3	-68	176.8	0	0	0	108.1	A258 V268	A258-I310 HydrophobicContact CB-CB 4.38Å; A258-I310 HydrophobicContact CB-CD1 3.52Å; A258-I310 HydrophobicContact CB-CG1 3.73Å; A258-I310 WeakPolarHBondContact O-CD1 3.35Å; V268-I310 HydrophobicContact CG2-CG1 4.43Å
311	G	66.9	Low	76.3	Confident	11 Å²	11	29.8 Å²	29.8	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-148	-173.5	0	0	0	0	0	112.2	R267 I269	R267-G311 PolarHBondContact O-N 2.64Å; I269-G311 WeakPolarHBondContact CD1-O 3.16Å
312	F	61.9	Low	76.8	Confident	110 Å²	110	29.4 Å²	29.4	48%	0.482	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	11	-178.4	-55.2	-46.3	0	0	0	113.1	R83 I269 D314	R83-F312 HydrophobicContact CB-CE1 4.12Å; R83-F312 HydrophobicContact CB-CE2 3.87Å; R83-F312 HydrophobicContact CB-CZ 3.51Å; R83-F312 VanDerWaalsContact CD-CZ 3.48Å; R83-F312 HydrophobicContact CG-CE1 3.7Å; R83-F312 HydrophobicContact CG-CE2 4.35Å; R83-F312 HydrophobicContact CG-CZ 3.51Å; I269-F312 HydrophobicContact CD1-CD1 3.88Å; I269-F312 HydrophobicContact CD1-CE1 3.7Å; F312-D314 PolarHBondContact O-N 3.2Å
313	D	57.8	Low	76.6	Confident	84 Å²	84	31.1 Å²	31.1	45%	0.449	18%	0.182	S	C	.	.			trans	-87.3	106.6	177.5	-170.9	1.3	0	0	0	110	S315	D313-S315 PolarHBondContact O-N 3.37Å; D313-S315 VanDerWaalsContact OD1-CB 3.26Å; D313-S315 WeakPolarHBondContact OD1-CB 3.46Å; D313-S315 PolarHBondContact OD1-N 2.59Å; D313-S315 PolarHBondContact OD1-OG 2.83Å; D313-S315 PolarHBondContact OD2-OG 3.39Å; D313-S315 VanDerWaalsContact OD2-OG 3.14Å
314	D	60.2	Low	76.8	Confident	103 Å²	103	30.8 Å²	30.8	55%	0.551	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-74.4	-10.3	176.7	-70.9	-20.3	0	0	0	112.5	Q239 N309 F312	Q239-D314 PolarHBondContact NE2-O 2.75Å; N309-D314 PolarHBondContact ND2-OD1 3.27Å; F312-D314 PolarHBondContact O-N 3.2Å
315	S	55.7	Low	76.9	Confident	84 Å²	84	30 Å²	30	59%	0.587	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-79.6	-19.5	-175.7	71.6	0	0	0	0	114.1	D313	D313-S315 PolarHBondContact O-N 3.37Å; D313-S315 VanDerWaalsContact OD1-CB 3.26Å; D313-S315 WeakPolarHBondContact OD1-CB 3.46Å; D313-S315 PolarHBondContact OD1-N 2.59Å; D313-S315 PolarHBondContact OD1-OG 2.83Å; D313-S315 PolarHBondContact OD2-OG 3.39Å; D313-S315 VanDerWaalsContact OD2-OG 3.14Å
316	A	62	Low	76.7	Confident	27 Å²	27	28.9 Å²	28.9	22%	0.223	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-113.8	33.2	-177.6	0	0	0	0	0	114.1	A258	A258-A316 WeakPolarHBondContact CB-O 3.33Å
317	G	75.5	Confident	76.5	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.021	19%	0.185	C	C	.	.			trans	-76.8	157.6	-178.3	0	0	0	0	0	115.7	Q239 C308 N309	Q239-G317 WeakPolarHBondContact CA-O 3.28Å; C308-G317 CarbonylContact O-C 3.6Å; C308-G317 VanDerWaalsContact O-CA 3.22Å; C308-G317 WeakPolarHBondContact O-CA 3.46Å; N309-G317 WeakPolarHBondContact OD1-CA 3.5Å
318	Q	83.9	Confident	76.4	Confident	16 Å²	16	33.2 Å²	33.2	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.7	165.9	-50.5	-163.9	-30.9	0	0	110.5	S240 D257 A258 S307 C308	S240-Q318 WeakPolarHBondContact O-CA 3.39Å; S240-Q318 VanDerWaalsContact OG-CG 3.28Å; S240-Q318 WeakPolarHBondContact OG-CG 3.49Å; S240-Q318 PolarHBondContact OG-NE2 2.93Å; D257-Q318 VanDerWaalsContact C-CD 3.46Å; D257-Q318 PolarHBondContact O-NE2 3.32Å; A258-Q318 HydrophobicContact CB-CG 3.99Å; S307-Q318 CarbonylContact C-O 3.58Å; S307-Q318 VanDerWaalsContact CA-O 3.25Å; S307-Q318 WeakPolarHBondContact CA-O 3.42Å; C308-Q318 PolarHBondContact N-O 3.08Å; C308-Q318 PolarHBondContact O-N 3.17Å
319	T	85.5	Confident	76	Confident	21 Å²	21	33.4 Å²	33.4	13%	0.129	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.3	172.7	-63.1	0	0	0	0	110.4	S240 V241 K242 N305 F306 S307	S240-T319 PolarHBondContact O-N 2.84Å; V241-T319 CarbonylContact C-O 3.59Å; V241-T319 VanDerWaalsContact CA-O 3.24Å; V241-T319 WeakPolarHBondContact CA-O 3.31Å; K242-T319 PolarHBondContact N-O 3.42Å; N305-T319 HydrophobicContact CB-CG2 4.01Å; F306-T319 CarbonylContact O-C 3.51Å; F306-T319 WeakPolarHBondContact O-CA 3.47Å; S307-T319 PolarHBondContact OG-OG1 3.24Å
320	H	88.4	Confident	76.2	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111	177.6	-64.4	-98.7	0	0	0	109.5	K242 H244 L254 F255 W270 N305 F306	K242-H320 CarbonylContact O-C 3.6Å; K242-H320 WeakPolarHBondContact O-CA 3.19Å; H244-H320 AromaticContact CD2-ND1 3.81Å; H244-H320 AromaticContact CE1-ND1 3.66Å; H244-H320 AromaticContact NE2-CE1 3.9Å; H244-H320 AromaticContact NE2-CG 3.73Å; H244-H320 AromaticContact NE2-ND1 2.88Å; H244-H320 PolarHBondContact NE2-ND1 2.85Å; L254-H320 HydrophobicContact CD1-CB 4.09Å; L254-H320 HydrophobicContact CD2-CB 4.36Å; F255-H320 PolarHBondContact O-CE1 3.23Å; F255-H320 PolarHBondContact O-NE2 3.05Å; W270-H320 AromaticContact CH2-CD2 3.61Å; W270-H320 AromaticContact CH2-NE2 3.68Å; W270-H320 AromaticContact CZ3-CD2 3.58Å; N305-H320 CarbonylContact C-O 3.54Å; N305-H320 WeakPolarHBondContact CA-O 3.42Å; F306-H320 HydrophobicContact CB-CB 4.37Å; F306-H320 PolarHBondContact N-O 3.07Å; F306-H320 PolarHBondContact O-N 3.38Å
321	T	85.1	Confident	76.3	Confident	14 Å²	14	33.5 Å²	33.5	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108	172	-60.6	0	0	0	0	109.3	K242 Y243 H244 G304 N305	K242-T321 PolarHBondContact O-N 2.97Å; Y243-T321 WeakPolarHBondContact CA-O 3.41Å; Y243-T321 HydrophobicContact CD1-CG2 3.87Å; Y243-T321 HydrophobicContact CE1-CG2 4.04Å; H244-T321 PolarHBondContact N-O 2.82Å; G304-T321 WeakPolarHBondContact O-CA 3.25Å; N305-T321 WeakPolarHBondContact OD1-CA 3.17Å; N305-T321 WeakPolarHBondContact OD1-CB 3.44Å; N305-T321 WeakPolarHBondContact OD1-CG2 3.21Å; N305-T321 PolarHBondContact OD1-OG1 2.73Å
322	V	86.9	Confident	77.2	Confident	4 Å²	4	33 Å²	33	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.2	-179.5	-177.6	0	0	0	0	110.3	H244 V246 L254 L295 H302 N303 G304 F306 V324	H244-V322 HydrophobicContact CB-CG2 4.2Å; H244-V322 CarbonylContact O-C 3.57Å; H244-V322 WeakPolarHBondContact O-CA 3.45Å; V246-V322 HydrophobicContact CG2-CG1 4.05Å; L254-V322 HydrophobicContact CD1-CG2 3.93Å; L254-V322 HydrophobicContact CD2-CG2 4.21Å; L295-V322 HydrophobicContact CD1-CG1 4.02Å; L295-V322 HydrophobicContact CD1-CG2 4.29Å; H302-V322 WeakPolarHBondContact O-CB 3.46Å; H302-V322 WeakPolarHBondContact O-CG1 3.05Å; N303-V322 WeakPolarHBondContact CA-O 3.46Å; N303-V322 PolarHBondContact OD1-O 2.93Å; G304-V322 PolarHBondContact N-O 3.02Å; G304-V322 PolarHBondContact O-N 3.36Å; F306-V322 HydrophobicContact CD2-CB 4.44Å; F306-V322 HydrophobicContact CD2-CG2 3.79Å; F306-V322 HydrophobicContact CE2-CB 4.06Å; F306-V322 HydrophobicContact CE2-CG2 3.78Å; V322-V324 HydrophobicContact CG1-CG2 3.96Å
323	L	80.1	Confident	78	Confident	37 Å²	37	30.1 Å²	30.1	19%	0.194	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	100.2	168.3	-179.3	63.9	0	0	0	109.5	H244 M245 V246 N303 T325	H244-L323 PolarHBondContact O-N 3.37Å; M245-L323 CarbonylContact C-O 3.52Å; M245-L323 WeakPolarHBondContact CA-O 3.4Å; V246-L323 PolarHBondContact N-O 3.16Å; N303-L323 WeakPolarHBondContact OD1-CA 3.32Å; L323-T325 HydrophobicContact CD2-CG2 4.47Å; L323-T325 HydrophobicContact CG-CG2 4.22Å
324	V	82.2	Confident	78.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.7	168.6	-174.5	0	0	0	0	110	V246 A248 A298 T299 H302 N303 V322 H355	V246-V324 HydrophobicContact CB-CG2 4.38Å; V246-V324 CarbonylContact O-C 3.47Å; V246-V324 WeakPolarHBondContact O-CA 3.24Å; A248-V324 HydrophobicContact CB-CG1 3.63Å; A298-V324 HydrophobicContact CB-CG2 4.39Å; T299-V324 WeakPolarHBondContact O-CG2 3.42Å; H302-V324 HydrophobicContact CB-CG2 4.02Å; N303-V324 PolarHBondContact OD1-N 2.6Å; V322-V324 HydrophobicContact CG1-CG2 3.96Å; V324-H355 PolarHBondContact O-CD2 3.14Å
325	T	81	Confident	79.3	Confident	4 Å²	4	26.9 Å²	26.9	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.2	179.5	62.6	0	0	0	0	111.1	M245 V246 A248 L323 H355 S396 G397	M245-T325 HydrophobicContact CG-CG2 3.88Å; M245-T325 HydrophobicContact SD-CG2 4.19Å; V246-T325 PolarHBondContact O-N 3.3Å; A248-T325 WeakPolarHBondContact CB-O 3.39Å; A248-T325 PolarHBondContact N-O 2.83Å; L323-T325 HydrophobicContact CD2-CG2 4.47Å; L323-T325 HydrophobicContact CG-CG2 4.22Å; T325-H355 CarbonylContact C-O 3.57Å; T325-H355 VanDerWaalsContact CA-O 3.22Å; T325-H355 WeakPolarHBondContact CA-O 3.42Å; T325-H355 WeakPolarHBondContact CB-O 3.2Å; T325-S396 WeakPolarHBondContact CG2-OG 3.34Å; T325-G397 WeakPolarHBondContact OG1-CA 3Å
326	E	80.3	Confident	80.2	Confident	17 Å²	17	27.6 Å²	27.6	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.6	171.8	-60.5	-174.5	165.7	0	0	110.2	A248 L300 H355 N395 P552 I553	A248-E326 HydrophobicContact CB-CB 4.44Å; A248-E326 HydrophobicContact CB-CG 3.59Å; L300-E326 HydrophobicContact CD1-CG 4.48Å; L300-E326 WeakPolarHBondContact CD1-OE1 3.44Å; L300-E326 HydrophobicContact CD2-CG 4Å; L300-E326 HydrophobicContact CG-CG 4.22Å; L300-E326 WeakPolarHBondContact CG-OE1 3.46Å; E326-H355 HydrophobicContact CB-CB 4.02Å; E326-H355 HydrophobicContact CG-CB 4.14Å; E326-H355 PolarHBondContact N-O 2.74Å; E326-H355 PolarHBondContact O-N 3.5Å; E326-H355 VanDerWaalsContact O-O 3.07Å; E326-N395 PolarHBondContact O-ND2 2.76Å; E326-P552 HydrophobicContact CB-CG 4.48Å; E326-I553 HydrophobicContact CB-CG2 4.31Å; E326-I553 HydrophobicContact CG-CG2 3.69Å
327	R	83.1	Confident	80.9	Confident	112 Å²	112	26.8 Å²	26.8	42%	0.423	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	147.9	175.3	-73.8	-174.7	-165.4	-92.1	-14.7	111.1	E247 G397	E247-R327 IonicContact OE1-CZ 3.02Å; E247-R327 IonicContact OE1-NE 3.73Å; E247-R327 PolarHBondContact OE1-NE 3.04Å; E247-R327 IonicContact OE1-NH2 3.72Å; E247-R327 PolarHBondContact OE1-NH2 2.88Å; E247-R327 VanDerWaalsContact OE1-NH2 3.17Å; E247-R327 IonicContact OE2-CZ 3.49Å; E247-R327 IonicContact OE2-NE 3.77Å; E247-R327 IonicContact OE2-NH2 2.73Å; E247-R327 PolarHBondContact OE2-NH2 2.98Å; R327-G397 WeakPolarHBondContact CG-O 3.35Å; R327-G397 PolarHBondContact NH1-O 3.17Å
328	P	83.1	Confident	80.9	Confident	8 Å²	8	27.4 Å²	27.4	5%	0.052	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	140.9	176.6	-20.7	33.6	0	0	0	111.9	P358 A393 N395 G398 V400	P328-P358 HydrophobicContact CB-CB 3.8Å; P328-P358 HydrophobicContact CB-CG 3.49Å; P328-P358 VanDerWaalsContact CB-CG 3.49Å; P328-P358 HydrophobicContact CG-CB 3.78Å; P328-P358 HydrophobicContact CG-CG 3.68Å; P328-A393 HydrophobicContact CB-CB 3.95Å; P328-N395 WeakPolarHBondContact CD-OD1 3.43Å; P328-N395 HydrophobicContact CG-CB 4.42Å; P328-G398 WeakPolarHBondContact CD-O 3.44Å; P328-V400 HydrophobicContact CB-CG1 3.78Å; P328-V400 WeakPolarHBondContact O-CG1 3.43Å
329	L	79.8	Confident	80.9	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.6	168.3	175.2	67.4	0	0	0	108.4	I351 L352 A353 N499 P552	L329-I351 CarbonylContact O-C 3.52Å; L329-L352 HydrophobicContact CB-CB 4.37Å; L329-L352 HydrophobicContact CD2-CB 3.71Å; L329-L352 HydrophobicContact CD2-CD1 4.1Å; L329-L352 HydrophobicContact CG-CB 3.83Å; L329-L352 HydrophobicContact CG-CD1 4.11Å; L329-L352 HydrophobicContact CG-CG 4.41Å; L329-L352 PolarHBondContact O-N 3.29Å; L329-A353 HydrophobicContact CB-CB 4.16Å; L329-A353 HydrophobicContact CD2-CB 4.47Å; L329-A353 PolarHBondContact N-O 3.14Å; L329-A353 PolarHBondContact O-N 3.28Å; L329-N499 WeakPolarHBondContact CD1-ND2 3.44Å; L329-P552 HydrophobicContact CB-CB 3.83Å; L329-P552 HydrophobicContact CD2-CB 4.31Å
330	I	84.9	Confident	80.9	Confident	3 Å²	3	31 Å²	31	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.6	-177.9	67.5	178.9	0	0	0	113.4	D350 I351 A393 V400 A402	I330-D350 CarbonylContact C-O 3.59Å; I330-D350 WeakPolarHBondContact CA-O 3.42Å; I330-I351 HydrophobicContact CG2-CG1 4.13Å; I330-A393 HydrophobicContact CD1-CB 4.39Å; I330-A393 HydrophobicContact CG2-CB 3.42Å; I330-A393 VanDerWaalsContact CG2-CB 3.42Å; I330-V400 HydrophobicContact CB-CG1 4.33Å; I330-V400 HydrophobicContact CD1-CG1 3.75Å; I330-V400 HydrophobicContact CG1-CG1 3.68Å; I330-V400 HydrophobicContact CG1-CG2 4.48Å; I330-V400 HydrophobicContact CG2-CG1 3.92Å; I330-A402 HydrophobicContact CD1-CB 3.9Å; I330-A402 HydrophobicContact CG1-CB 4.18Å
331	E	78.7	Confident	81.1	Confident	43 Å²	43	33.1 Å²	33.1	20%	0.201	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	168	-171.7	170.4	-153.6	0	0	109.9	T333 C349 D350 L352 K429 A501	E331-T333 HydrophobicContact CG-CG2 4.11Å; E331-C349 CarbonylContact O-C 3.54Å; E331-C349 WeakPolarHBondContact O-CA 3.44Å; E331-D350 PolarHBondContact N-O 3.12Å; E331-D350 PolarHBondContact O-N 3.09Å; E331-L352 HydrophobicContact CB-CD1 4.05Å; E331-L352 HydrophobicContact CB-CD2 4.45Å; E331-L352 HydrophobicContact CB-CG 4.34Å; E331-K429 IonicContact OE1-NZ 3.67Å; E331-K429 PolarHBondContact OE1-NZ 2.8Å; E331-A501 HydrophobicContact CB-CB 3.97Å; E331-A501 HydrophobicContact CG-CB 4.06Å
332	L	84.8	Confident	81.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.9	178	175.1	59.3	0	0	0	109.9	H335 L347 R348 C349 W362 C391 A402	L332-H335 PolarHBondContact O-CE1 2.77Å; L332-H335 PolarHBondContact O-ND1 3.34Å; L332-H335 PolarHBondContact O-NE2 2.8Å; L332-L347 HydrophobicContact CD1-CB 4.38Å; L332-R348 CarbonylContact C-O 3.16Å; L332-R348 WeakPolarHBondContact CA-O 3.46Å; L332-C349 HydrophobicContact CD1-CB 4.39Å; L332-W362 HydrophobicContact CD1-CH2 3.35Å; L332-W362 HydrophobicContact CD1-CZ2 4.47Å; L332-W362 HydrophobicContact CD1-CZ3 3.73Å; L332-C391 HydrophobicContact CD1-CB 4.48Å; L332-C391 HydrophobicContact CD2-CB 4.48Å; L332-A402 HydrophobicContact CB-CB 3.61Å; L332-A402 HydrophobicContact CD2-CB 4.16Å; L332-A402 WeakPolarHBondContact CD2-O 3.34Å
333	T	79.2	Confident	81.6	Confident	50 Å²	50	43 Å²	43	31%	0.307	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.7	-178.4	55.6	0	0	0	0	111.8	E331 L347 R348	E331-T333 HydrophobicContact CG-CG2 4.11Å; T333-L347 WeakPolarHBondContact O-CA 3.44Å; T333-R348 PolarHBondContact N-O 2.9Å; T333-R348 PolarHBondContact O-N 3.3Å; T333-R348 PolarHBondContact OG1-O 2.91Å
334	P	77.2	Confident	82.1	Confident	49 Å²	49	44 Å²	44	32%	0.318	22%	0.216	S	C	.	.			cis	-70.5	158	-17.6	32.3	-38.8	0	0	0	112.8	F336 A337 L345 L347 S404	P334-F336 WeakPolarHBondContact CB-O 3.31Å; P334-A337 HydrophobicContact CG-CB 4.06Å; P334-L345 HydrophobicContact CG-CD1 4.01Å; P334-L347 HydrophobicContact CG-CD2 4.3Å; P334-S404 VanDerWaalsContact O-CB 3.26Å; P334-S404 WeakPolarHBondContact O-CB 3.48Å; P334-S404 PolarHBondContact O-OG 3.26Å
335	H	68.9	Low	82.5	Confident	69 Å²	69	45 Å²	45	32%	0.319	22%	0.221	S	C	.	.	S	Bend	trans	-77.2	-22.9	173.6	-70.3	90.3	0	0	0	113.3	L332 S404 S405	L332-H335 PolarHBondContact O-CE1 2.77Å; L332-H335 PolarHBondContact O-ND1 3.34Å; L332-H335 PolarHBondContact O-NE2 2.8Å; H335-S404 WeakPolarHBondContact O-CA 3.22Å; H335-S404 PolarHBondContact O-OG 2.76Å; H335-S405 PolarHBondContact O-N 3.05Å
336	F	73.3	Confident	83	Confident	100 Å²	100	50.1 Å²	50.1	44%	0.439	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.3	174.8	173.7	-95.8	0	0	0	108.6	P334 L338 S405 V407	P334-F336 WeakPolarHBondContact CB-O 3.31Å; F336-L338 HydrophobicContact CE1-CB 3.99Å; F336-L338 HydrophobicContact CZ-CB 4.26Å; F336-S405 CarbonylContact C-O 3.6Å; F336-S405 WeakPolarHBondContact CA-O 3.24Å; F336-S405 WeakPolarHBondContact CD2-O 2.95Å; F336-V407 HydrophobicContact CE2-CG2 3.96Å; F336-V407 HydrophobicContact CZ-CG2 4.38Å
337	A	76.3	Confident	83.4	Confident	9 Å²	9	49.3 Å²	49.3	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.7	177	0	0	0	0	0	111.1	P334 L345 S405 V406 V407	P334-A337 HydrophobicContact CG-CB 4.06Å; A337-L345 HydrophobicContact CB-CD1 4.02Å; A337-L345 HydrophobicContact CB-CD2 3.52Å; A337-L345 HydrophobicContact CB-CG 4.44Å; A337-S405 PolarHBondContact N-O 3.27Å; A337-V406 HydrophobicContact CB-CG2 4.37Å; A337-V406 WeakPolarHBondContact O-CA 3.39Å; A337-V407 PolarHBondContact O-N 3.26Å
338	L	76.3	Confident	83.7	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107	176.9	179.8	66.2	0	0	0	110.3	F336 V407 R409 F412 E416 L419 R420	F336-L338 HydrophobicContact CE1-CB 3.99Å; F336-L338 HydrophobicContact CZ-CB 4.26Å; L338-V407 CarbonylContact C-O 3.54Å; L338-V407 WeakPolarHBondContact CA-O 3.2Å; L338-V407 HydrophobicContact CD1-CB 3.89Å; L338-V407 HydrophobicContact CD1-CG1 3.83Å; L338-R409 HydrophobicContact CD1-CG 4.14Å; L338-F412 HydrophobicContact CD1-CD1 4.18Å; L338-F412 HydrophobicContact CD1-CE1 3.78Å; L338-F412 HydrophobicContact CD2-CD1 4.01Å; L338-F412 HydrophobicContact CD2-CE1 4.04Å; L338-F412 HydrophobicContact CG-CD1 4.06Å; L338-F412 HydrophobicContact CG-CE1 3.6Å; L338-F412 HydrophobicContact CG-CZ 4.43Å; L338-E416 HydrophobicContact CD2-CB 3.92Å; L338-E416 HydrophobicContact CD2-CG 4.45Å; L338-E416 WeakPolarHBondContact CD2-O 3.24Å; L338-L419 HydrophobicContact CD2-CB 4.22Å; L338-R420 HydrophobicContact CD2-CG 4.44Å; L338-R420 PolarHBondContact O-NE 2.95Å; L338-R420 VanDerWaalsContact O-NE 3.14Å; L338-R420 PolarHBondContact O-NH2 3.23Å
339	L	84.4	Confident	84	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	152.1	-171.1	-60.9	170.7	0	0	0	112.5	L345 V381 V406 V407 V408 R409 F412 R420	L339-L345 HydrophobicContact CD1-CB 3.56Å; L339-L345 HydrophobicContact CD1-CD2 3.96Å; L339-L345 HydrophobicContact CD1-CG 4.31Å; L339-L345 HydrophobicContact CD2-CB 4.17Å; L339-L345 HydrophobicContact CG-CB 4.43Å; L339-V381 HydrophobicContact CB-CG2 3.92Å; L339-V381 HydrophobicContact CD1-CB 4.47Å; L339-V381 HydrophobicContact CD1-CG1 3.88Å; L339-V381 HydrophobicContact CD1-CG2 4.05Å; L339-V406 HydrophobicContact CD1-CG1 4Å; L339-V407 PolarHBondContact N-O 2.96Å; L339-V408 HydrophobicContact CB-CG2 4.31Å; L339-V408 CarbonylContact O-C 3.5Å; L339-V408 WeakPolarHBondContact O-CA 3.46Å; L339-R409 PolarHBondContact O-N 3.2Å; L339-F412 WeakPolarHBondContact O-CZ 3.42Å; L339-R420 VanDerWaalsContact C-NH2 3.31Å
340	K	85.5	Confident	84.1	Confident	99 Å²	99	50.2 Å²	50.2	43%	0.43	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	146.9	169.2	-162.8	178.2	176.7	-178.8	0	107.8	K342 E343 V381 R409 Q410 F412	K340-K342 PolarHBondContact O-N 3.14Å; K340-E343 HydrophobicContact CB-CG 4.11Å; K340-E343 WeakPolarHBondContact CB-OE1 3.13Å; K340-E343 PolarHBondContact N-OE2 3.39Å; K340-E343 VanDerWaalsContact O-CB 3.29Å; K340-E343 WeakPolarHBondContact O-CB 3.45Å; K340-E343 WeakPolarHBondContact O-CG 3.44Å; K340-E343 PolarHBondContact O-N 3.36Å; K340-V381 WeakPolarHBondContact O-CG2 3.45Å; K340-R409 WeakPolarHBondContact CA-O 3.41Å; K340-Q410 VanDerWaalsContact CE-O 3.25Å; K340-Q410 WeakPolarHBondContact CE-O 3.44Å; K340-F412 HydrophobicContact CB-CE2 3.8Å; K340-F412 HydrophobicContact CB-CZ 3.75Å; K340-F412 HydrophobicContact CD-CE2 4.38Å; K340-F412 HydrophobicContact CG-CE2 4.19Å; K340-F412 HydrophobicContact CG-CZ 4.38Å
341	V	91.9	Very high	83.9	Confident	47 Å²	47	51.6 Å²	51.6	29%	0.285	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	137.6	173.6	178.9	0	0	0	0	110.4	V381 L383 V408 R409 Q410	V341-V381 CarbonylContact C-O 3.59Å; V341-V381 WeakPolarHBondContact CA-O 3.44Å; V341-L383 HydrophobicContact CG2-CD2 3.98Å; V341-L383 HydrophobicContact CG2-CG 4.11Å; V341-V408 HydrophobicContact CG2-CG1 3.9Å; V341-R409 PolarHBondContact N-O 3.48Å; V341-Q410 HydrophobicContact CG2-CG 4Å
342	K	91.7	Very high	83.8	Confident	162 Å²	162	51.8 Å²	51.8	70%	0.704	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-6.5	-173.5	-54.2	178.6	178.3	-179.9	0	117.1	K340 H380 V381	K340-K342 PolarHBondContact O-N 3.14Å; K342-H380 PolarHBondContact O-ND1 3.49Å; K342-V381 PolarHBondContact N-O 3.46Å
343	E	91.1	Very high	83.2	Confident	62 Å²	62	52.6 Å²	52.6	29%	0.29	26%	0.261	S	S	.	.			trans	-74.4	177.4	172.5	-68.7	179.1	175.7	0	0	112.4	K340 H380 V381 R420	K340-E343 HydrophobicContact CB-CG 4.11Å; K340-E343 WeakPolarHBondContact CB-OE1 3.13Å; K340-E343 PolarHBondContact N-OE2 3.39Å; K340-E343 VanDerWaalsContact O-CB 3.29Å; K340-E343 WeakPolarHBondContact O-CB 3.45Å; K340-E343 WeakPolarHBondContact O-CG 3.44Å; K340-E343 PolarHBondContact O-N 3.36Å; E343-H380 CarbonylContact O-C 3.18Å; E343-H380 VanDerWaalsContact O-CA 3.28Å; E343-H380 WeakPolarHBondContact O-CA 3.34Å; E343-H380 PolarHBondContact O-N 3.09Å; E343-V381 HydrophobicContact CB-CG2 4.44Å; E343-V381 WeakPolarHBondContact O-CG2 3.42Å; E343-V381 PolarHBondContact O-N 3.29Å; E343-R420 IonicContact OE1-CZ 3.31Å; E343-R420 IonicContact OE1-NH1 3.89Å; E343-R420 PolarHBondContact OE1-NH1 3.46Å; E343-R420 IonicContact OE1-NH2 3.04Å; E343-R420 PolarHBondContact OE1-NH2 3.06Å; E343-R420 VanDerWaalsContact OE1-NH2 3.08Å; E343-R420 IonicContact OE2-CZ 3.36Å; E343-R420 IonicContact OE2-NH1 2.86Å; E343-R420 IonicContact OE2-NH2 3.33Å; E343-R420 PolarHBondContact OE2-NH2 2.63Å
344	S	91.1	Very high	82.9	Confident	60 Å²	60	50.9 Å²	50.9	42%	0.42	25%	0.253	S	S	.	.			trans	-129.2	151.5	177.2	-57.7	0	0	0	0	110.8	L378 H380	S344-L378 CarbonylContact C-O 3.54Å; S344-L378 WeakPolarHBondContact CA-O 3.32Å; S344-L378 VanDerWaalsContact CB-O 3.29Å; S344-L378 WeakPolarHBondContact CB-O 3.41Å; S344-H380 PolarHBondContact OG-N 3.33Å
345	L	89	Confident	82.7	Confident	20 Å²	20	49 Å²	49	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.1	178.3	175.2	68.5	0	0	0	110.3	P334 A337 L339 L347 L378 V406	P334-L345 HydrophobicContact CG-CD1 4.01Å; A337-L345 HydrophobicContact CB-CD1 4.02Å; A337-L345 HydrophobicContact CB-CD2 3.52Å; A337-L345 HydrophobicContact CB-CG 4.44Å; L339-L345 HydrophobicContact CD1-CB 3.56Å; L339-L345 HydrophobicContact CD1-CD2 3.96Å; L339-L345 HydrophobicContact CD1-CG 4.31Å; L339-L345 HydrophobicContact CD2-CB 4.17Å; L339-L345 HydrophobicContact CG-CB 4.43Å; L345-L347 HydrophobicContact CD2-CD2 3.84Å; L345-L347 HydrophobicContact CD2-CG 3.91Å; L345-L347 HydrophobicContact CG-CD2 4.38Å; L345-L347 HydrophobicContact CG-CG 4.26Å; L345-L378 HydrophobicContact CB-CB 4.47Å; L345-L378 HydrophobicContact CD2-CD1 4.33Å; L345-L378 PolarHBondContact N-O 3.26Å; L345-L378 PolarHBondContact O-N 3.08Å; L345-V406 HydrophobicContact CD2-CG1 4.17Å; L345-V406 HydrophobicContact CD2-CG2 3.76Å
346	H	92.3	Very high	83.3	Confident	112 Å²	112	47 Å²	47	52%	0.519	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.7	169.1	-58.8	-61.7	0	0	0	108.8	V375 T377	H346-V375 HydrophobicContact CB-CG1 3.96Å; H346-T377 VanDerWaalsContact CE1-CG2 3.42Å; H346-T377 WeakPolarHBondContact CE1-CG2 3.04Å; H346-T377 WeakPolarHBondContact ND1-CG2 3.3Å; H346-T377 PolarHBondContact ND1-OG1 3.47Å
347	L	89.4	Confident	83.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	114.7	168.5	-69.6	173.6	0	0	0	107.9	L332 T333 P334 L345 W362 V375 L376 Y389 S404 V406	L332-L347 HydrophobicContact CD1-CB 4.38Å; T333-L347 WeakPolarHBondContact O-CA 3.44Å; P334-L347 HydrophobicContact CG-CD2 4.3Å; L345-L347 HydrophobicContact CD2-CD2 3.84Å; L345-L347 HydrophobicContact CD2-CG 3.91Å; L345-L347 HydrophobicContact CG-CD2 4.38Å; L345-L347 HydrophobicContact CG-CG 4.26Å; L347-W362 HydrophobicContact CB-CH2 3.69Å; L347-W362 HydrophobicContact CB-CZ3 3.97Å; L347-W362 HydrophobicContact CD1-CZ3 4.3Å; L347-V375 CarbonylContact O-C 3.58Å; L347-V375 WeakPolarHBondContact O-CA 3.41Å; L347-L376 HydrophobicContact CB-CB 4.26Å; L347-L376 HydrophobicContact CD1-CD2 4.15Å; L347-L376 PolarHBondContact N-O 2.73Å; L347-L376 PolarHBondContact O-N 2.94Å; L347-Y389 VanDerWaalsContact CD1-CB 3.48Å; L347-Y389 HydrophobicContact CD1-CD1 3.99Å; L347-Y389 HydrophobicContact CD1-CD2 4.13Å; L347-Y389 HydrophobicContact CD1-CG 3.6Å; L347-S404 WeakPolarHBondContact CD2-OG 3.31Å; L347-V406 HydrophobicContact CD1-CG2 4.18Å; L347-V406 HydrophobicContact CD2-CG2 4.43Å
348	R	89.7	Confident	83.6	Confident	117 Å²	117	49 Å²	49	44%	0.442	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	-177.2	178.3	175.4	170.8	158.8	-2.9	110.2	L332 T333 D350 V375	L332-R348 CarbonylContact C-O 3.16Å; L332-R348 WeakPolarHBondContact CA-O 3.46Å; T333-R348 PolarHBondContact N-O 2.9Å; T333-R348 PolarHBondContact O-N 3.3Å; T333-R348 PolarHBondContact OG1-O 2.91Å; R348-D350 WeakPolarHBondContact CD-OD2 3.42Å; R348-D350 WeakPolarHBondContact CG-OD2 3.44Å; R348-D350 IonicContact CZ-OD1 3.69Å; R348-D350 IonicContact CZ-OD2 2.74Å; R348-D350 VanDerWaalsContact NE-CG 3.32Å; R348-D350 IonicContact NE-OD1 3.86Å; R348-D350 PolarHBondContact NE-OD1 2.03Å; R348-D350 IonicContact NE-OD2 3.66Å; R348-D350 PolarHBondContact NE-OD2 2.72Å; R348-D350 IonicContact NH2-OD1 2.98Å; R348-D350 PolarHBondContact NH2-OD1 2.88Å; R348-D350 IonicContact NH2-OD2 3.99Å; R348-V375 HydrophobicContact CB-CG2 4.29Å; R348-V375 HydrophobicContact CG-CG2 4.13Å
349	C	88.6	Confident	83.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	95.5	177.9	-169.9	0	0	0	0	110	E331 L332 I360 W362 K374 C391	E331-C349 CarbonylContact O-C 3.54Å; E331-C349 WeakPolarHBondContact O-CA 3.44Å; L332-C349 HydrophobicContact CD1-CB 4.39Å; C349-I360 HydrophobicContact CB-CD1 4.48Å; C349-W362 HydrophobicContact CB-CH2 3.93Å; C349-W362 HydrophobicContact CB-CZ2 3.56Å; C349-K374 PolarHBondContact N-O 3.01Å; C349-K374 WeakPolarHBondContact O-CG 3.32Å; C349-C391 HydrophobicContact CB-CB 3.72Å; C349-C391 WeakPolarHBondContact CB-SG 2.96Å; C349-C391 WeakPolarHBondContact SG-CB 3.08Å; C349-C391 CovalentContact SG-SG 2.03Å; C349-C391 PolarHBondContact SG-SG 2.88Å
350	D	82	Confident	84.1	Confident	24 Å²	24	57 Å²	57	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.2	179.2	-71.3	-72.8	0	0	0	111.2	I330 E331 R348 L352 K374	I330-D350 CarbonylContact C-O 3.59Å; I330-D350 WeakPolarHBondContact CA-O 3.42Å; E331-D350 PolarHBondContact N-O 3.12Å; E331-D350 PolarHBondContact O-N 3.09Å; R348-D350 WeakPolarHBondContact CD-OD2 3.42Å; R348-D350 WeakPolarHBondContact CG-OD2 3.44Å; R348-D350 IonicContact CZ-OD1 3.69Å; R348-D350 IonicContact CZ-OD2 2.74Å; R348-D350 VanDerWaalsContact NE-CG 3.32Å; R348-D350 IonicContact NE-OD1 3.86Å; R348-D350 PolarHBondContact NE-OD1 2.03Å; R348-D350 IonicContact NE-OD2 3.66Å; R348-D350 PolarHBondContact NE-OD2 2.72Å; R348-D350 IonicContact NH2-OD1 2.98Å; R348-D350 PolarHBondContact NH2-OD1 2.88Å; R348-D350 IonicContact NH2-OD2 3.99Å; D350-L352 HydrophobicContact CB-CD2 4.15Å; D350-L352 PolarHBondContact O-N 2.79Å; D350-K374 WeakPolarHBondContact OD1-CE 3.44Å; D350-K374 IonicContact OD1-NZ 2.84Å; D350-K374 PolarHBondContact OD1-NZ 2.82Å
351	I	80.7	Confident	84.5	Confident	32 Å²	32	57.5 Å²	57.5	16%	0.164	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	112.6	165.9	-63.8	168.2	0	0	0	107.4	L329 I330 A353 F357 P358 I360	L329-I351 CarbonylContact O-C 3.52Å; I330-I351 HydrophobicContact CG2-CG1 4.13Å; I351-A353 WeakPolarHBondContact CG2-O 3.43Å; I351-F357 HydrophobicContact CB-CZ 4.27Å; I351-F357 HydrophobicContact CD1-CD1 4.48Å; I351-F357 HydrophobicContact CD1-CE1 3.66Å; I351-F357 HydrophobicContact CD1-CE2 4.5Å; I351-F357 HydrophobicContact CD1-CZ 3.68Å; I351-F357 HydrophobicContact CG2-CE2 4.15Å; I351-F357 HydrophobicContact CG2-CZ 4.29Å; I351-P358 HydrophobicContact CD1-CB 4.08Å; I351-P358 HydrophobicContact CD1-CG 4.42Å; I351-P358 HydrophobicContact CG2-CG 4Å; I351-I360 HydrophobicContact CD1-CD1 3.97Å; I351-I360 HydrophobicContact CD1-CG1 3.92Å; I351-I360 HydrophobicContact CG1-CD1 4.16Å; I351-I360 HydrophobicContact CG1-CG1 4.32Å
352	L	76	Confident	84.8	Confident	47 Å²	47	55.3 Å²	55.3	25%	0.246	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-27.8	-179.8	-55.1	-177.9	0	0	0	112	L329 E331 D350 R483 A501	L329-L352 HydrophobicContact CB-CB 4.37Å; L329-L352 HydrophobicContact CD2-CB 3.71Å; L329-L352 HydrophobicContact CD2-CD1 4.1Å; L329-L352 HydrophobicContact CG-CB 3.83Å; L329-L352 HydrophobicContact CG-CD1 4.11Å; L329-L352 HydrophobicContact CG-CG 4.41Å; L329-L352 PolarHBondContact O-N 3.29Å; E331-L352 HydrophobicContact CB-CD1 4.05Å; E331-L352 HydrophobicContact CB-CD2 4.45Å; E331-L352 HydrophobicContact CB-CG 4.34Å; D350-L352 HydrophobicContact CB-CD2 4.15Å; D350-L352 PolarHBondContact O-N 2.79Å; L352-R483 PolarHBondContact O-NH1 2.88Å; L352-R483 PolarHBondContact O-NH2 2.73Å; L352-A501 HydrophobicContact CD1-CB 3.92Å
353	A	73.1	Confident	85	Confident	18 Å²	18	48.3 Å²	48.3	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	173.5	175.2	0	0	0	0	0	112	L329 I351 P552	L329-A353 HydrophobicContact CB-CB 4.16Å; L329-A353 HydrophobicContact CD2-CB 4.47Å; L329-A353 PolarHBondContact N-O 3.14Å; L329-A353 PolarHBondContact O-N 3.28Å; I351-A353 WeakPolarHBondContact CG2-O 3.43Å; A353-P552 HydrophobicContact CB-CB 4.23Å; A353-P552 HydrophobicContact CB-CG 3.42Å; A353-P552 VanDerWaalsContact CB-CG 3.42Å
354	G	72	Confident	85.2	Confident	14 Å²	14	47.3 Å²	47.3	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.2	138.2	178.7	0	0	0	0	0	112	P356	G354-P356 CarbonylContact C-O 3.54Å
355	H	73.4	Confident	85.2	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.046	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.5	-179.1	-174.9	92.9	0	0	0	111.3	Q140 Q144 L300 V324 T325 E326 N395	Q140-H355 PolarHBondContact OE1-CE1 2.55Å; Q144-H355 PolarHBondContact NE2-CE1 2.94Å; Q144-H355 PolarHBondContact NE2-NE2 3.39Å; L300-H355 HydrophobicContact CD1-CB 4.25Å; L300-H355 HydrophobicContact CD2-CB 3.67Å; L300-H355 VanDerWaalsContact CD2-CG 3.45Å; V324-H355 PolarHBondContact O-CD2 3.14Å; T325-H355 CarbonylContact C-O 3.57Å; T325-H355 VanDerWaalsContact CA-O 3.22Å; T325-H355 WeakPolarHBondContact CA-O 3.42Å; T325-H355 WeakPolarHBondContact CB-O 3.2Å; E326-H355 HydrophobicContact CB-CB 4.02Å; E326-H355 HydrophobicContact CG-CB 4.14Å; E326-H355 PolarHBondContact N-O 2.74Å; E326-H355 PolarHBondContact O-N 3.5Å; E326-H355 VanDerWaalsContact O-O 3.07Å; H355-N395 VanDerWaalsContact C-ND2 3.32Å; H355-N395 PolarHBondContact N-ND2 2.84Å; H355-N395 PolarHBondContact O-ND2 2.77Å
356	P	81	Confident	85.4	Confident	27 Å²	27	50.9 Å²	50.9	18%	0.175	25%	0.25	C	C	.	.	S	Bend	cis	-53	162.8	-11.8	-24.9	34.9	0	0	0	112.6	G354 P358 N395 S396	G354-P356 CarbonylContact C-O 3.54Å; P356-P358 WeakPolarHBondContact O-CD 3.5Å; P356-N395 VanDerWaalsContact O-CB 3.27Å; P356-N395 WeakPolarHBondContact O-CB 3.42Å; P356-N395 PolarHBondContact O-ND2 3.18Å; P356-S396 WeakPolarHBondContact CD-OG 3.22Å
357	F	75.9	Confident	85.6	Confident	146 Å²	146	50.4 Å²	50.4	64%	0.64	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-56.1	125.4	-176.5	-168.6	-94	0	0	0	111.1	I351	I351-F357 HydrophobicContact CB-CZ 4.27Å; I351-F357 HydrophobicContact CD1-CD1 4.48Å; I351-F357 HydrophobicContact CD1-CE1 3.66Å; I351-F357 HydrophobicContact CD1-CE2 4.5Å; I351-F357 HydrophobicContact CD1-CZ 3.68Å; I351-F357 HydrophobicContact CG2-CE2 4.15Å; I351-F357 HydrophobicContact CG2-CZ 4.29Å
358	P	79.4	Confident	85.9	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.032	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-68.2	154.1	-172.9	-19	30.6	0	0	0	114.5	P328 I351 P356 A393 E394	P328-P358 HydrophobicContact CB-CB 3.8Å; P328-P358 HydrophobicContact CB-CG 3.49Å; P328-P358 VanDerWaalsContact CB-CG 3.49Å; P328-P358 HydrophobicContact CG-CB 3.78Å; P328-P358 HydrophobicContact CG-CG 3.68Å; I351-P358 HydrophobicContact CD1-CB 4.08Å; I351-P358 HydrophobicContact CD1-CG 4.42Å; I351-P358 HydrophobicContact CG2-CG 4Å; P356-P358 WeakPolarHBondContact O-CD 3.5Å; P358-A393 HydrophobicContact CB-CB 4.05Å; P358-E394 CarbonylContact C-O 3.52Å; P358-E394 WeakPolarHBondContact CA-O 3.24Å
359	R	84.2	Confident	86.1	Confident	177 Å²	177	52 Å²	52	67%	0.668	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.9	171.1	-63.2	-179.6	-177	174.4	2.9	110.8	A393 E394	R359-A393 VanDerWaalsContact O-CA 3.28Å; R359-A393 WeakPolarHBondContact O-CA 3.29Å; R359-E394 HydrophobicContact CB-CG 4.4Å; R359-E394 PolarHBondContact N-O 3.08Å; R359-E394 PolarHBondContact O-N 2.99Å
360	I	88.7	Confident	86.3	Confident	17 Å²	17	58.1 Å²	58.1	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.6	178.9	-64.6	175.5	0	0	0	110.9	C349 I351 K374 K392	C349-I360 HydrophobicContact CB-CD1 4.48Å; I351-I360 HydrophobicContact CD1-CD1 3.97Å; I351-I360 HydrophobicContact CD1-CG1 3.92Å; I351-I360 HydrophobicContact CG1-CD1 4.16Å; I351-I360 HydrophobicContact CG1-CG1 4.32Å; I360-K374 HydrophobicContact CD1-CB 4.32Å; I360-K374 HydrophobicContact CD1-CG 4.28Å; I360-K392 CarbonylContact C-O 3.44Å; I360-K392 WeakPolarHBondContact CA-O 2.95Å
361	R	94	Very high	86.6	Confident	111 Å²	111	58.4 Å²	58.4	42%	0.419	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.4	167.2	-61.5	-170.5	-169.7	-148.4	6.7	110.2	L368 K392 E394	R361-L368 HydrophobicContact CB-CD1 4.19Å; R361-K392 HydrophobicContact CB-CB 4.5Å; R361-K392 PolarHBondContact N-O 2.92Å; R361-K392 PolarHBondContact O-N 2.79Å; R361-E394 IonicContact CZ-OE1 3.55Å; R361-E394 VanDerWaalsContact CZ-OE1 3.23Å; R361-E394 IonicContact NE-OE1 3.23Å; R361-E394 PolarHBondContact NE-OE1 2.81Å; R361-E394 IonicContact NE-OE2 2.58Å; R361-E394 IonicContact NH2-OE1 3.08Å; R361-E394 PolarHBondContact NH2-OE1 2.9Å
362	W	97.1	Very high	86.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146.7	176.2	-71.6	94.1	0	0	0	111.7	L332 L347 C349 L368 L369 T371 D373 L376 R390 C391	L332-W362 HydrophobicContact CD1-CH2 3.35Å; L332-W362 HydrophobicContact CD1-CZ2 4.47Å; L332-W362 HydrophobicContact CD1-CZ3 3.73Å; L347-W362 HydrophobicContact CB-CH2 3.69Å; L347-W362 HydrophobicContact CB-CZ3 3.97Å; L347-W362 HydrophobicContact CD1-CZ3 4.3Å; C349-W362 HydrophobicContact CB-CH2 3.93Å; C349-W362 HydrophobicContact CB-CZ2 3.56Å; W362-L368 WeakPolarHBondContact O-CD1 3.49Å; W362-L369 HydrophobicContact CB-CB 4.02Å; W362-L369 HydrophobicContact CB-CD1 4.13Å; W362-L369 PolarHBondContact O-N 2.77Å; W362-T371 HydrophobicContact CB-CG2 4.26Å; W362-T371 HydrophobicContact CG-CG2 4.17Å; W362-D373 PolarHBondContact NE1-O 3.35Å; W362-L376 HydrophobicContact CB-CD2 4.48Å; W362-L376 HydrophobicContact CD2-CB 3.75Å; W362-L376 HydrophobicContact CD2-CD2 4.01Å; W362-L376 HydrophobicContact CD2-CG 4.49Å; W362-L376 HydrophobicContact CE3-CB 4.02Å; W362-L376 HydrophobicContact CE3-CD2 3.71Å; W362-L376 HydrophobicContact CG-CB 4.23Å; W362-L376 HydrophobicContact CG-CD2 4.37Å; W362-L376 HydrophobicContact CH2-CB 4.07Å; W362-L376 HydrophobicContact CZ2-CB 3.85Å; W362-L376 HydrophobicContact CZ3-CB 4.17Å; W362-L376 HydrophobicContact CZ3-CD2 4.19Å; W362-R390 CarbonylContact C-O 3.54Å; W362-R390 WeakPolarHBondContact CA-O 3.37Å; W362-C391 HydrophobicContact CD2-CB 4.31Å; W362-C391 HydrophobicContact CE3-CB 4.04Å; W362-C391 HydrophobicContact CH2-CB 3.99Å; W362-C391 HydrophobicContact CZ2-CB 4.23Å; W362-C391 HydrophobicContact CZ3-CB 3.87Å
363	S	97	Very high	87.5	Confident	16 Å²	16	69.5 Å²	69.5	11%	0.112	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150	169.9	57.2	0	0	0	0	111	V367 Y389 R390	S363-V367 CarbonylContact C-O 3.49Å; S363-V367 WeakPolarHBondContact CA-O 3.07Å; S363-V367 VanDerWaalsContact CB-O 3.29Å; S363-V367 WeakPolarHBondContact CB-O 3.43Å; S363-Y389 CarbonylContact O-C 3.56Å; S363-Y389 WeakPolarHBondContact O-CA 3.15Å; S363-R390 PolarHBondContact N-O 3.14Å; S363-R390 PolarHBondContact O-N 3.02Å
364	K	95.2	Very high	88.2	Confident	40 Å²	40	73 Å²	73	17%	0.174	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121	173.3	179.7	-171.1	178.9	-169.8	0	108.1	G366 V367 L369 D384 D385 Y389	K364-G366 PolarHBondContact O-N 3.31Å; K364-G366 VanDerWaalsContact O-N 3.13Å; K364-V367 PolarHBondContact N-O 2.94Å; K364-V367 WeakPolarHBondContact O-CB 3.26Å; K364-V367 PolarHBondContact O-N 2.74Å; K364-L369 HydrophobicContact CB-CD1 4.2Å; K364-L369 HydrophobicContact CB-CD2 4.19Å; K364-L369 HydrophobicContact CB-CG 4.33Å; K364-D384 WeakPolarHBondContact CE-O 3.34Å; K364-D384 PolarHBondContact NZ-O 3.32Å; K364-D385 IonicContact NZ-OD1 2.83Å; K364-D385 PolarHBondContact NZ-OD1 3.04Å; K364-Y389 HydrophobicContact CB-CD1 4.12Å; K364-Y389 HydrophobicContact CB-CE1 3.98Å; K364-Y389 HydrophobicContact CD-CE1 3.91Å; K364-Y389 HydrophobicContact CD-CE2 4.46Å; K364-Y389 WeakPolarHBondContact CE-OH 3.2Å; K364-Y389 HydrophobicContact CG-CD1 4.3Å; K364-Y389 HydrophobicContact CG-CE1 3.88Å; K364-Y389 HydrophobicContact CG-CE2 4.27Å
365	N	91.4	Very high	89.2	Confident	101 Å²	101	74.8 Å²	74.8	54%	0.54	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	37	-177	-58.7	-22.2	0	0	0	112.8	V367 G387 T388	N365-V367 VanDerWaalsContact C-N 3.29Å; N365-V367 PolarHBondContact O-N 3.19Å; N365-G387 WeakPolarHBondContact OD1-CA 3.41Å; N365-T388 PolarHBondContact N-O 3.3Å; N365-T388 PolarHBondContact OD1-N 3.46Å
366	G	91.7	Very high	90.3	Very high	54 Å²	54	75 Å²	75	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-15.3	-177.3	0	0	0	0	0	115.5	K364	K364-G366 PolarHBondContact O-N 3.31Å; K364-G366 VanDerWaalsContact O-N 3.13Å
367	V	96.3	Very high	90.9	Very high	103 Å²	103	76.2 Å²	76.2	62%	0.624	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.5	177.9	-176.2	0	0	0	0	110	S363 K364 N365	S363-V367 CarbonylContact C-O 3.49Å; S363-V367 WeakPolarHBondContact CA-O 3.07Å; S363-V367 VanDerWaalsContact CB-O 3.29Å; S363-V367 WeakPolarHBondContact CB-O 3.43Å; K364-V367 PolarHBondContact N-O 2.94Å; K364-V367 WeakPolarHBondContact O-CB 3.26Å; K364-V367 PolarHBondContact O-N 2.74Å; N365-V367 VanDerWaalsContact C-N 3.29Å; N365-V367 PolarHBondContact O-N 3.19Å
368	L	95.6	Very high	91.7	Very high	109 Å²	109	70.1 Å²	70.1	57%	0.571	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	133	-178.5	-170.3	73.2	0	0	0	111.2	R361 W362	R361-L368 HydrophobicContact CB-CD1 4.19Å; W362-L368 WeakPolarHBondContact O-CD1 3.49Å
369	L	95.4	Very high	92.4	Very high	41 Å²	41	78.9 Å²	78.9	22%	0.215	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-94.4	151.1	174.1	-63.2	178.7	0	0	0	110.4	W362 K364 T371 L376 Y389	W362-L369 HydrophobicContact CB-CB 4.02Å; W362-L369 HydrophobicContact CB-CD1 4.13Å; W362-L369 PolarHBondContact O-N 2.77Å; K364-L369 HydrophobicContact CB-CD1 4.2Å; K364-L369 HydrophobicContact CB-CD2 4.19Å; K364-L369 HydrophobicContact CB-CG 4.33Å; L369-T371 PolarHBondContact O-N 3.4Å; L369-L376 HydrophobicContact CD1-CD1 4.03Å; L369-L376 HydrophobicContact CD1-CD2 3.6Å; L369-Y389 HydrophobicContact CD1-CD1 4.17Å; L369-Y389 HydrophobicContact CD1-CE1 4.2Å
370	P	91.7	Very high	92.9	Very high	129 Å²	129	76.7 Å²	76.7	84%	0.838	39%	0.39	S	S	*	.	S	Bend	trans	-71.5	-26.2	-174.7	26.4	-34.7	0	0	0	114
371	T	89.3	Confident	93.1	Very high	29 Å²	29	75.9 Å²	75.9	18%	0.178	39%	0.386	C	S	.	.			trans	-69.4	138.7	-178.1	179.8	0	0	0	0	111.7	W362 L369 D373 L376	W362-T371 HydrophobicContact CB-CG2 4.26Å; W362-T371 HydrophobicContact CG-CG2 4.17Å; L369-T371 PolarHBondContact O-N 3.4Å; T371-D373 WeakPolarHBondContact OG1-CB 3.05Å; T371-D373 PolarHBondContact OG1-N 2.03Å; T371-D373 VanDerWaalsContact OG1-N 3.09Å; T371-D373 PolarHBondContact OG1-OD2 3.2Å; T371-L376 HydrophobicContact CG2-CB 4.49Å; T371-L376 HydrophobicContact CG2-CD1 3.59Å
372	R	87.3	Confident	93.1	Very high	207 Å²	207	77.3 Å²	77.3	78%	0.781	40%	0.395	S	S	*	.			trans	-113.7	8.5	171.8	-59.7	-179.1	-177.1	179.5	0.5	111.4
373	D	88.1	Confident	92.9	Very high	106 Å²	106	80.9 Å²	80.9	57%	0.567	41%	0.413	S	S	*	.	S	Bend	trans	-76.3	158.8	-176.6	-56.7	-49.7	0	0	0	110.5	W362 T371 V375	W362-D373 PolarHBondContact NE1-O 3.35Å; T371-D373 WeakPolarHBondContact OG1-CB 3.05Å; T371-D373 PolarHBondContact OG1-N 2.03Å; T371-D373 VanDerWaalsContact OG1-N 3.09Å; T371-D373 PolarHBondContact OG1-OD2 3.2Å; D373-V375 PolarHBondContact O-N 2.74Å
374	K	88.4	Confident	92.6	Very high	90 Å²	90	86.5 Å²	86.5	39%	0.391	44%	0.442	S	S	.	.	S	Bend	trans	-60.6	-28.3	173.8	-165.2	-177.8	-180	176.8	0	112.9	C349 D350 I360	C349-K374 PolarHBondContact N-O 3.01Å; C349-K374 WeakPolarHBondContact O-CG 3.32Å; D350-K374 WeakPolarHBondContact OD1-CE 3.44Å; D350-K374 IonicContact OD1-NZ 2.84Å; D350-K374 PolarHBondContact OD1-NZ 2.82Å; I360-K374 HydrophobicContact CD1-CB 4.32Å; I360-K374 HydrophobicContact CD1-CG 4.28Å
375	V	93.3	Very high	92.5	Very high	52 Å²	52	86.4 Å²	86.4	32%	0.315	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.5	-175.7	-177.2	0	0	0	0	109.6	H346 L347 R348 D373	H346-V375 HydrophobicContact CB-CG1 3.96Å; L347-V375 CarbonylContact O-C 3.58Å; L347-V375 WeakPolarHBondContact O-CA 3.41Å; R348-V375 HydrophobicContact CB-CG2 4.29Å; R348-V375 HydrophobicContact CG-CG2 4.13Å; D373-V375 PolarHBondContact O-N 2.74Å
376	L	94.8	Very high	92.5	Very high	15 Å²	15	84.3 Å²	84.3	8%	0.079	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.9	167.3	171.9	64.9	0	0	0	108.8	L347 W362 L369 T371 L378 Y389	L347-L376 HydrophobicContact CB-CB 4.26Å; L347-L376 HydrophobicContact CD1-CD2 4.15Å; L347-L376 PolarHBondContact N-O 2.73Å; L347-L376 PolarHBondContact O-N 2.94Å; W362-L376 HydrophobicContact CB-CD2 4.48Å; W362-L376 HydrophobicContact CD2-CB 3.75Å; W362-L376 HydrophobicContact CD2-CD2 4.01Å; W362-L376 HydrophobicContact CD2-CG 4.49Å; W362-L376 HydrophobicContact CE3-CB 4.02Å; W362-L376 HydrophobicContact CE3-CD2 3.71Å; W362-L376 HydrophobicContact CG-CB 4.23Å; W362-L376 HydrophobicContact CG-CD2 4.37Å; W362-L376 HydrophobicContact CH2-CB 4.07Å; W362-L376 HydrophobicContact CZ2-CB 3.85Å; W362-L376 HydrophobicContact CZ3-CB 4.17Å; W362-L376 HydrophobicContact CZ3-CD2 4.19Å; L369-L376 HydrophobicContact CD1-CD1 4.03Å; L369-L376 HydrophobicContact CD1-CD2 3.6Å; T371-L376 HydrophobicContact CG2-CB 4.49Å; T371-L376 HydrophobicContact CG2-CD1 3.59Å; L376-L378 HydrophobicContact CG-CD2 4.4Å; L376-Y389 HydrophobicContact CD2-CD1 3.42Å; L376-Y389 VanDerWaalsContact CD2-CD1 3.42Å; L376-Y389 HydrophobicContact CD2-CE1 3.87Å; L376-Y389 HydrophobicContact CD2-CG 4.42Å
377	T	94.6	Very high	92.4	Very high	52 Å²	52	82.3 Å²	82.3	32%	0.319	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.3	179	-62	0	0	0	0	110.5	H346 R379	H346-T377 VanDerWaalsContact CE1-CG2 3.42Å; H346-T377 WeakPolarHBondContact CE1-CG2 3.04Å; H346-T377 WeakPolarHBondContact ND1-CG2 3.3Å; H346-T377 PolarHBondContact ND1-OG1 3.47Å; T377-R379 HydrophobicContact CG2-CG 3.66Å
378	L	93.2	Very high	92.1	Very high	18 Å²	18	79.9 Å²	79.9	9%	0.094	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.6	169.8	-55.5	176.7	0	0	0	107.9	S344 L345 L376 V381 Y389 V406	S344-L378 CarbonylContact C-O 3.54Å; S344-L378 WeakPolarHBondContact CA-O 3.32Å; S344-L378 VanDerWaalsContact CB-O 3.29Å; S344-L378 WeakPolarHBondContact CB-O 3.41Å; L345-L378 HydrophobicContact CB-CB 4.47Å; L345-L378 HydrophobicContact CD2-CD1 4.33Å; L345-L378 PolarHBondContact N-O 3.26Å; L345-L378 PolarHBondContact O-N 3.08Å; L376-L378 HydrophobicContact CG-CD2 4.4Å; L378-V381 HydrophobicContact CB-CG1 3.76Å; L378-Y389 HydrophobicContact CD1-CE1 3.99Å; L378-Y389 HydrophobicContact CD1-CE2 3.93Å; L378-Y389 HydrophobicContact CD2-CE1 3.71Å; L378-Y389 HydrophobicContact CG-CE1 4.4Å; L378-V406 HydrophobicContact CD1-CG1 4.43Å
379	R	93.9	Very high	92	Very high	190 Å²	190	74.8 Å²	74.8	72%	0.717	37%	0.373	S	S	*	.			trans	-105	138.9	178.6	-57.4	-170.1	-179.3	-142.6	-0.3	110.1	T377 V381	T377-R379 HydrophobicContact CG2-CG 3.66Å; R379-V381 PolarHBondContact O-N 3.34Å
380	H	93.6	Very high	91.9	Very high	131 Å²	131	77.3 Å²	77.3	61%	0.606	38%	0.379	S	S	*	.	S	Bend	trans	49.2	57.4	176.3	-60.1	-68.5	0	0	0	113.1	K342 E343 S344	K342-H380 PolarHBondContact O-ND1 3.49Å; E343-H380 CarbonylContact O-C 3.18Å; E343-H380 VanDerWaalsContact O-CA 3.28Å; E343-H380 WeakPolarHBondContact O-CA 3.34Å; E343-H380 PolarHBondContact O-N 3.09Å; S344-H380 PolarHBondContact OG-N 3.33Å
381	V	93.1	Very high	92	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.339	C	S	.	.			trans	-57.5	142.2	-170.8	-62.8	0	0	0	0	113	L339 K340 V341 K342 E343 L378 R379 D385 V408	L339-V381 HydrophobicContact CB-CG2 3.92Å; L339-V381 HydrophobicContact CD1-CB 4.47Å; L339-V381 HydrophobicContact CD1-CG1 3.88Å; L339-V381 HydrophobicContact CD1-CG2 4.05Å; K340-V381 WeakPolarHBondContact O-CG2 3.45Å; V341-V381 CarbonylContact C-O 3.59Å; V341-V381 WeakPolarHBondContact CA-O 3.44Å; K342-V381 PolarHBondContact N-O 3.46Å; E343-V381 HydrophobicContact CB-CG2 4.44Å; E343-V381 WeakPolarHBondContact O-CG2 3.42Å; E343-V381 PolarHBondContact O-N 3.29Å; L378-V381 HydrophobicContact CB-CG1 3.76Å; R379-V381 PolarHBondContact O-N 3.34Å; V381-D385 WeakPolarHBondContact CA-OD2 3.48Å; V381-D385 HydrophobicContact CB-CB 4.27Å; V381-V408 HydrophobicContact CB-CG1 4.29Å; V381-V408 HydrophobicContact CB-CG2 4.09Å; V381-V408 HydrophobicContact CG2-CG1 3.72Å; V381-V408 HydrophobicContact CG2-CG2 4.06Å
382	K	94.8	Very high	92.3	Very high	141 Å²	141	72.3 Å²	72.3	61%	0.613	34%	0.342	S	S	*	.			trans	-107.7	169.1	174.4	-61.6	179.1	-175.7	177.3	0	110.2	D384 D385 V408	K382-D384 PolarHBondContact O-N 2.76Å; K382-D385 PolarHBondContact N-OD2 2.76Å; K382-D385 WeakPolarHBondContact O-CB 3.47Å; K382-D385 PolarHBondContact O-N 3.38Å; K382-V408 WeakPolarHBondContact O-CB 3.37Å; K382-V408 WeakPolarHBondContact O-CG1 3.44Å
383	L	91.4	Very high	92.4	Very high	75 Å²	75	62.4 Å²	62.4	39%	0.393	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-56	-39.3	176	-71.5	177	0	0	0	112	V341 D385 T386 V408 Q410	V341-L383 HydrophobicContact CG2-CD2 3.98Å; V341-L383 HydrophobicContact CG2-CG 4.11Å; L383-D385 PolarHBondContact O-N 2.69Å; L383-D385 VanDerWaalsContact O-N 3.16Å; L383-T386 VanDerWaalsContact O-CB 3.22Å; L383-T386 WeakPolarHBondContact O-CB 3.47Å; L383-T386 PolarHBondContact O-N 3.29Å; L383-T386 PolarHBondContact O-OG1 2.89Å; L383-V408 VanDerWaalsContact CD2-O 3.3Å; L383-V408 WeakPolarHBondContact CD2-O 3.46Å; L383-Q410 HydrophobicContact CD1-CG 4.08Å; L383-Q410 HydrophobicContact CD2-CG 4.17Å; L383-Q410 HydrophobicContact CG-CG 4.33Å
384	D	92.4	Very high	92.4	Very high	134 Å²	134	59.3 Å²	59.3	72%	0.717	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.8	-13.6	178	-57.7	-15.1	0	0	0	113.7	K364 K382 T386	K364-D384 WeakPolarHBondContact CE-O 3.34Å; K364-D384 PolarHBondContact NZ-O 3.32Å; K382-D384 PolarHBondContact O-N 2.76Å; D384-T386 PolarHBondContact O-N 3.15Å
385	D	92.6	Very high	92	Very high	38 Å²	38	56.4 Å²	56.4	20%	0.203	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-75	-7.9	171.6	-66.1	-43.7	0	0	0	113.3	K364 V381 K382 L383 G387 Y389 V408	K364-D385 IonicContact NZ-OD1 2.83Å; K364-D385 PolarHBondContact NZ-OD1 3.04Å; V381-D385 WeakPolarHBondContact CA-OD2 3.48Å; V381-D385 HydrophobicContact CB-CB 4.27Å; K382-D385 PolarHBondContact N-OD2 2.76Å; K382-D385 WeakPolarHBondContact O-CB 3.47Å; K382-D385 PolarHBondContact O-N 3.38Å; L383-D385 PolarHBondContact O-N 2.69Å; L383-D385 VanDerWaalsContact O-N 3.16Å; D385-G387 PolarHBondContact O-N 3.35Å; D385-Y389 VanDerWaalsContact O-CE2 3.32Å; D385-Y389 WeakPolarHBondContact O-CE2 3.02Å; D385-Y389 PolarHBondContact O-OH 2.86Å; D385-Y389 VanDerWaalsContact O-OH 3.09Å; D385-V408 HydrophobicContact CB-CG2 4.18Å
386	T	91.1	Very high	91.3	Very high	56 Å²	56	57 Å²	57	34%	0.344	28%	0.282	S	S	.	.			trans	-60.9	131	168.4	-59.8	0	0	0	0	110.6	L383 D384 V406 V408	L383-T386 VanDerWaalsContact O-CB 3.22Å; L383-T386 WeakPolarHBondContact O-CB 3.47Å; L383-T386 PolarHBondContact O-N 3.29Å; L383-T386 PolarHBondContact O-OG1 2.89Å; D384-T386 PolarHBondContact O-N 3.15Å; T386-V406 CarbonylContact C-O 3.6Å; T386-V406 WeakPolarHBondContact CA-O 3.23Å; T386-V408 PolarHBondContact OG1-N 3.11Å; T386-V408 PolarHBondContact OG1-O 2.78Å
387	G	89.4	Confident	90.3	Very high	13 Å²	13	56.7 Å²	56.7	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-177.1	178.1	0	0	0	0	0	114	N365 D385 V406	N365-G387 WeakPolarHBondContact OD1-CA 3.41Å; D385-G387 PolarHBondContact O-N 3.35Å; G387-V406 PolarHBondContact N-O 3.3Å; G387-V406 PolarHBondContact O-N 2.91Å
388	T	91.3	Very high	89.8	Confident	52 Å²	52	55 Å²	55	32%	0.319	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.8	175.1	-53.9	0	0	0	0	109.7	N365 S404	N365-T388 PolarHBondContact N-O 3.3Å; N365-T388 PolarHBondContact OD1-N 3.46Å; T388-S404 WeakPolarHBondContact CA-O 3.41Å
389	Y	92.5	Very high	89.7	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.4	174	-71.1	-95.6	0	0	0	109.5	L347 S363 K364 L369 L376 L378 D385 S403 S404 V406	L347-Y389 VanDerWaalsContact CD1-CB 3.48Å; L347-Y389 HydrophobicContact CD1-CD1 3.99Å; L347-Y389 HydrophobicContact CD1-CD2 4.13Å; L347-Y389 HydrophobicContact CD1-CG 3.6Å; S363-Y389 CarbonylContact O-C 3.56Å; S363-Y389 WeakPolarHBondContact O-CA 3.15Å; K364-Y389 HydrophobicContact CB-CD1 4.12Å; K364-Y389 HydrophobicContact CB-CE1 3.98Å; K364-Y389 HydrophobicContact CD-CE1 3.91Å; K364-Y389 HydrophobicContact CD-CE2 4.46Å; K364-Y389 WeakPolarHBondContact CE-OH 3.2Å; K364-Y389 HydrophobicContact CG-CD1 4.3Å; K364-Y389 HydrophobicContact CG-CE1 3.88Å; K364-Y389 HydrophobicContact CG-CE2 4.27Å; L369-Y389 HydrophobicContact CD1-CD1 4.17Å; L369-Y389 HydrophobicContact CD1-CE1 4.2Å; L376-Y389 HydrophobicContact CD2-CD1 3.42Å; L376-Y389 VanDerWaalsContact CD2-CD1 3.42Å; L376-Y389 HydrophobicContact CD2-CE1 3.87Å; L376-Y389 HydrophobicContact CD2-CG 4.42Å; L378-Y389 HydrophobicContact CD1-CE1 3.99Å; L378-Y389 HydrophobicContact CD1-CE2 3.93Å; L378-Y389 HydrophobicContact CD2-CE1 3.71Å; L378-Y389 HydrophobicContact CG-CE1 4.4Å; D385-Y389 VanDerWaalsContact O-CE2 3.32Å; D385-Y389 WeakPolarHBondContact O-CE2 3.02Å; D385-Y389 PolarHBondContact O-OH 2.86Å; D385-Y389 VanDerWaalsContact O-OH 3.09Å; Y389-S403 CarbonylContact O-C 3.59Å; Y389-S403 WeakPolarHBondContact O-CA 2.9Å; Y389-S404 PolarHBondContact N-O 2.93Å; Y389-S404 PolarHBondContact O-N 3.44Å; Y389-V406 HydrophobicContact CD2-CB 3.8Å; Y389-V406 HydrophobicContact CD2-CG2 3.45Å; Y389-V406 VanDerWaalsContact CD2-CG2 3.45Å; Y389-V406 HydrophobicContact CE2-CB 3.75Å; Y389-V406 HydrophobicContact CE2-CG1 4.27Å; Y389-V406 HydrophobicContact CE2-CG2 3.81Å; Y389-V406 HydrophobicContact CG-CG2 4.38Å
390	R	93.7	Very high	89.4	Confident	93 Å²	93	51.6 Å²	51.6	35%	0.351	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.3	-177.2	-179.7	178.1	-63.9	128	-1.6	110.6	W362 S363 T401 A402 S403	W362-R390 CarbonylContact C-O 3.54Å; W362-R390 WeakPolarHBondContact CA-O 3.37Å; S363-R390 PolarHBondContact N-O 3.14Å; S363-R390 PolarHBondContact O-N 3.02Å; R390-T401 HydrophobicContact CG-CG2 4.5Å; R390-A402 CarbonylContact C-O 3.59Å; R390-A402 VanDerWaalsContact CA-O 3.31Å; R390-A402 WeakPolarHBondContact CA-O 3Å; R390-S403 PolarHBondContact NE-OG 3.23Å; R390-S403 VanDerWaalsContact NE-OG 3.13Å
391	C	94.4	Very high	89.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	126	167	178.4	0	0	0	0	108.8	L332 C349 W362 T401 A402	L332-C391 HydrophobicContact CD1-CB 4.48Å; L332-C391 HydrophobicContact CD2-CB 4.48Å; C349-C391 HydrophobicContact CB-CB 3.72Å; C349-C391 WeakPolarHBondContact CB-SG 2.96Å; C349-C391 WeakPolarHBondContact SG-CB 3.08Å; C349-C391 CovalentContact SG-SG 2.03Å; C349-C391 PolarHBondContact SG-SG 2.88Å; W362-C391 HydrophobicContact CD2-CB 4.31Å; W362-C391 HydrophobicContact CE3-CB 4.04Å; W362-C391 HydrophobicContact CH2-CB 3.99Å; W362-C391 HydrophobicContact CZ2-CB 4.23Å; W362-C391 HydrophobicContact CZ3-CB 3.87Å; C391-T401 CarbonylContact O-C 3.59Å; C391-T401 VanDerWaalsContact O-CA 3.28Å; C391-T401 WeakPolarHBondContact O-CA 3.37Å; C391-A402 PolarHBondContact N-O 3.24Å; C391-A402 PolarHBondContact O-N 3Å
392	K	94.8	Very high	88.9	Confident	53 Å²	53	49.3 Å²	49.3	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.3	171.6	176.5	171	169	164	0	108.8	I360 R361 E394 E399 V400 T401	I360-K392 CarbonylContact C-O 3.44Å; I360-K392 WeakPolarHBondContact CA-O 2.95Å; R361-K392 HydrophobicContact CB-CB 4.5Å; R361-K392 PolarHBondContact N-O 2.92Å; R361-K392 PolarHBondContact O-N 2.79Å; K392-E394 WeakPolarHBondContact CE-OE2 3.41Å; K392-E394 IonicContact NZ-OE2 2.82Å; K392-E399 WeakPolarHBondContact CE-OE1 3.29Å; K392-E399 WeakPolarHBondContact CE-OE2 3.42Å; K392-E399 IonicContact NZ-OE1 3.54Å; K392-E399 PolarHBondContact NZ-OE1 2.9Å; K392-E399 IonicContact NZ-OE2 3.44Å; K392-E399 PolarHBondContact NZ-OE2 2.83Å; K392-V400 WeakPolarHBondContact CA-O 3.44Å; K392-T401 HydrophobicContact CB-CG2 3.94Å; K392-T401 HydrophobicContact CD-CG2 4.3Å; K392-T401 HydrophobicContact CG-CG2 3.96Å
393	A	89.1	Confident	88.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133	169.7	0	0	0	0	0	110.3	P328 I330 P358 R359 E399 V400	P328-A393 HydrophobicContact CB-CB 3.95Å; I330-A393 HydrophobicContact CD1-CB 4.39Å; I330-A393 HydrophobicContact CG2-CB 3.42Å; I330-A393 VanDerWaalsContact CG2-CB 3.42Å; P358-A393 HydrophobicContact CB-CB 4.05Å; R359-A393 VanDerWaalsContact O-CA 3.28Å; R359-A393 WeakPolarHBondContact O-CA 3.29Å; A393-E399 CarbonylContact O-C 3.43Å; A393-E399 VanDerWaalsContact O-CA 3.25Å; A393-E399 WeakPolarHBondContact O-CA 3.38Å; A393-V400 HydrophobicContact CB-CG1 4.05Å; A393-V400 PolarHBondContact N-O 2.87Å; A393-V400 PolarHBondContact O-N 2.77Å
394	E	88.1	Confident	88.3	Confident	41 Å²	41	41.2 Å²	41.2	19%	0.192	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.4	-174.9	68.9	-170.7	-173.5	0	0	112.5	P358 R359 R361 K392 G398 E399	P358-E394 CarbonylContact C-O 3.52Å; P358-E394 WeakPolarHBondContact CA-O 3.24Å; R359-E394 HydrophobicContact CB-CG 4.4Å; R359-E394 PolarHBondContact N-O 3.08Å; R359-E394 PolarHBondContact O-N 2.99Å; R361-E394 IonicContact CZ-OE1 3.55Å; R361-E394 VanDerWaalsContact CZ-OE1 3.23Å; R361-E394 IonicContact NE-OE1 3.23Å; R361-E394 PolarHBondContact NE-OE1 2.81Å; R361-E394 IonicContact NE-OE2 2.58Å; R361-E394 IonicContact NH2-OE1 3.08Å; R361-E394 PolarHBondContact NH2-OE1 2.9Å; K392-E394 WeakPolarHBondContact CE-OE2 3.41Å; K392-E394 IonicContact NZ-OE2 2.82Å; E394-G398 WeakPolarHBondContact CA-O 3.26Å; E394-E399 HydrophobicContact CB-CB 4.04Å
395	N	79.9	Confident	87.9	Confident	28 Å²	28	37.5 Å²	37.5	15%	0.15	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	-173.3	167.4	68.5	11.4	0	0	0	109.8	E326 P328 H355 P356 G397 G398	E326-N395 PolarHBondContact O-ND2 2.76Å; P328-N395 WeakPolarHBondContact CD-OD1 3.43Å; P328-N395 HydrophobicContact CG-CB 4.42Å; H355-N395 VanDerWaalsContact C-ND2 3.32Å; H355-N395 PolarHBondContact N-ND2 2.84Å; H355-N395 PolarHBondContact O-ND2 2.77Å; P356-N395 VanDerWaalsContact O-CB 3.27Å; P356-N395 WeakPolarHBondContact O-CB 3.42Å; P356-N395 PolarHBondContact O-ND2 3.18Å; N395-G397 PolarHBondContact O-N 2.77Å; N395-G397 WeakPolarHBondContact OD1-CA 3.32Å; N395-G397 PolarHBondContact OD1-N 3.11Å; N395-G398 PolarHBondContact N-O 3.26Å; N395-G398 PolarHBondContact O-N 2.77Å; N395-G398 VanDerWaalsContact O-O 3.11Å; N395-G398 PolarHBondContact OD1-N 2.97Å; N395-G398 PolarHBondContact OD1-O 2.98Å
396	S	79.2	Confident	87.7	Confident	64 Å²	64	35.8 Å²	35.8	45%	0.448	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.8	179.1	55.4	0	0	0	0	114.2	T325 P356	T325-S396 WeakPolarHBondContact CG2-OG 3.34Å; P356-S396 WeakPolarHBondContact CD-OG 3.22Å
397	G	73.9	Confident	87.4	Confident	9 Å²	9	34.9 Å²	34.9	9%	0.093	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.2	173.7	0	0	0	0	0	113.1	T325 R327 N395	T325-G397 WeakPolarHBondContact OG1-CA 3Å; R327-G397 WeakPolarHBondContact CG-O 3.35Å; R327-G397 PolarHBondContact NH1-O 3.17Å; N395-G397 PolarHBondContact O-N 2.77Å; N395-G397 WeakPolarHBondContact OD1-CA 3.32Å; N395-G397 PolarHBondContact OD1-N 3.11Å
398	G	84.7	Confident	87.3	Confident	18 Å²	18	34.4 Å²	34.4	19%	0.186	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-160.4	174.1	0	0	0	0	0	113.7	P328 E394 N395	P328-G398 WeakPolarHBondContact CD-O 3.44Å; E394-G398 WeakPolarHBondContact CA-O 3.26Å; N395-G398 PolarHBondContact N-O 3.26Å; N395-G398 PolarHBondContact O-N 2.77Å; N395-G398 VanDerWaalsContact O-O 3.11Å; N395-G398 PolarHBondContact OD1-N 2.97Å; N395-G398 PolarHBondContact OD1-O 2.98Å
399	E	90.8	Very high	86.9	Confident	108 Å²	108	37 Å²	37	51%	0.505	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.9	-179.1	62.9	-179.5	-117.8	0	0	112.4	K392 A393 E394	K392-E399 WeakPolarHBondContact CE-OE1 3.29Å; K392-E399 WeakPolarHBondContact CE-OE2 3.42Å; K392-E399 IonicContact NZ-OE1 3.54Å; K392-E399 PolarHBondContact NZ-OE1 2.9Å; K392-E399 IonicContact NZ-OE2 3.44Å; K392-E399 PolarHBondContact NZ-OE2 2.83Å; A393-E399 CarbonylContact O-C 3.43Å; A393-E399 VanDerWaalsContact O-CA 3.25Å; A393-E399 WeakPolarHBondContact O-CA 3.38Å; E394-E399 HydrophobicContact CB-CB 4.04Å
400	V	86.5	Confident	86.7	Confident	28 Å²	28	43.1 Å²	43.1	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.7	175.8	71.9	0	0	0	0	109.6	P328 I330 K392 A393	P328-V400 HydrophobicContact CB-CG1 3.78Å; P328-V400 WeakPolarHBondContact O-CG1 3.43Å; I330-V400 HydrophobicContact CB-CG1 4.33Å; I330-V400 HydrophobicContact CD1-CG1 3.75Å; I330-V400 HydrophobicContact CG1-CG1 3.68Å; I330-V400 HydrophobicContact CG1-CG2 4.48Å; I330-V400 HydrophobicContact CG2-CG1 3.92Å; K392-V400 WeakPolarHBondContact CA-O 3.44Å; A393-V400 HydrophobicContact CB-CG1 4.05Å; A393-V400 PolarHBondContact N-O 2.87Å; A393-V400 PolarHBondContact O-N 2.77Å
401	T	91.9	Very high	86.1	Confident	70 Å²	70	49.2 Å²	49.2	43%	0.429	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.2	177.8	63.5	0	0	0	0	111.9	R390 C391 K392	R390-T401 HydrophobicContact CG-CG2 4.5Å; C391-T401 CarbonylContact O-C 3.59Å; C391-T401 VanDerWaalsContact O-CA 3.28Å; C391-T401 WeakPolarHBondContact O-CA 3.37Å; K392-T401 HydrophobicContact CB-CG2 3.94Å; K392-T401 HydrophobicContact CD-CG2 4.3Å; K392-T401 HydrophobicContact CG-CG2 3.96Å
402	A	85.5	Confident	84.8	Confident	13 Å²	13	50.8 Å²	50.8	11%	0.107	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.5	169.1	0	0	0	0	0	109.2	I330 L332 R390 C391	I330-A402 HydrophobicContact CD1-CB 3.9Å; I330-A402 HydrophobicContact CG1-CB 4.18Å; L332-A402 HydrophobicContact CB-CB 3.61Å; L332-A402 HydrophobicContact CD2-CB 4.16Å; L332-A402 WeakPolarHBondContact CD2-O 3.34Å; R390-A402 CarbonylContact C-O 3.59Å; R390-A402 VanDerWaalsContact CA-O 3.31Å; R390-A402 WeakPolarHBondContact CA-O 3Å; C391-A402 PolarHBondContact N-O 3.24Å; C391-A402 PolarHBondContact O-N 3Å
403	S	88.4	Confident	83.5	Confident	46 Å²	46	54.7 Å²	54.7	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140	-176.6	-54.9	0	0	0	0	110.9	Y389 R390	Y389-S403 CarbonylContact O-C 3.59Å; Y389-S403 WeakPolarHBondContact O-CA 2.9Å; R390-S403 PolarHBondContact NE-OG 3.23Å; R390-S403 VanDerWaalsContact NE-OG 3.13Å
404	S	85.2	Confident	81.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	173.9	-177.1	0	0	0	0	109.7	P334 H335 L347 T388 Y389	P334-S404 VanDerWaalsContact O-CB 3.26Å; P334-S404 WeakPolarHBondContact O-CB 3.48Å; P334-S404 PolarHBondContact O-OG 3.26Å; H335-S404 WeakPolarHBondContact O-CA 3.22Å; H335-S404 PolarHBondContact O-OG 2.76Å; L347-S404 WeakPolarHBondContact CD2-OG 3.31Å; T388-S404 WeakPolarHBondContact CA-O 3.41Å; Y389-S404 PolarHBondContact N-O 2.93Å; Y389-S404 PolarHBondContact O-N 3.44Å
405	S	83.3	Confident	80.3	Confident	55 Å²	55	64.2 Å²	64.2	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.6	176	-63.4	0	0	0	0	109.6	H335 F336 A337	H335-S405 PolarHBondContact O-N 3.05Å; F336-S405 CarbonylContact C-O 3.6Å; F336-S405 WeakPolarHBondContact CA-O 3.24Å; F336-S405 WeakPolarHBondContact CD2-O 2.95Å; A337-S405 PolarHBondContact N-O 3.27Å
406	V	87.3	Confident	79	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.1	-179.7	179.3	0	0	0	0	108.8	A337 L339 L345 L347 L378 T386 G387 Y389 V408	A337-V406 HydrophobicContact CB-CG2 4.37Å; A337-V406 WeakPolarHBondContact O-CA 3.39Å; L339-V406 HydrophobicContact CD1-CG1 4Å; L345-V406 HydrophobicContact CD2-CG1 4.17Å; L345-V406 HydrophobicContact CD2-CG2 3.76Å; L347-V406 HydrophobicContact CD1-CG2 4.18Å; L347-V406 HydrophobicContact CD2-CG2 4.43Å; L378-V406 HydrophobicContact CD1-CG1 4.43Å; T386-V406 CarbonylContact C-O 3.6Å; T386-V406 WeakPolarHBondContact CA-O 3.23Å; G387-V406 PolarHBondContact N-O 3.3Å; G387-V406 PolarHBondContact O-N 2.91Å; Y389-V406 HydrophobicContact CD2-CB 3.8Å; Y389-V406 HydrophobicContact CD2-CG2 3.45Å; Y389-V406 VanDerWaalsContact CD2-CG2 3.45Å; Y389-V406 HydrophobicContact CE2-CB 3.75Å; Y389-V406 HydrophobicContact CE2-CG1 4.27Å; Y389-V406 HydrophobicContact CE2-CG2 3.81Å; Y389-V406 HydrophobicContact CG-CG2 4.38Å; V406-V408 HydrophobicContact CG1-CG2 4.32Å
407	V	84.6	Confident	77.5	Confident	37 Å²	37	68.6 Å²	68.6	22%	0.224	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.8	178.6	-177.9	0	0	0	0	108.8	F336 A337 L338 L339 R409	F336-V407 HydrophobicContact CE2-CG2 3.96Å; F336-V407 HydrophobicContact CZ-CG2 4.38Å; A337-V407 PolarHBondContact O-N 3.26Å; L338-V407 CarbonylContact C-O 3.54Å; L338-V407 WeakPolarHBondContact CA-O 3.2Å; L338-V407 HydrophobicContact CD1-CB 3.89Å; L338-V407 HydrophobicContact CD1-CG1 3.83Å; L339-V407 PolarHBondContact N-O 2.96Å; V407-R409 HydrophobicContact CG1-CG 4.3Å
408	V	88.7	Confident	76.1	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.018	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	177.6	-171.2	0	0	0	0	109.4	L339 V341 V381 K382 L383 D385 T386 V406	L339-V408 HydrophobicContact CB-CG2 4.31Å; L339-V408 CarbonylContact O-C 3.5Å; L339-V408 WeakPolarHBondContact O-CA 3.46Å; V341-V408 HydrophobicContact CG2-CG1 3.9Å; V381-V408 HydrophobicContact CB-CG1 4.29Å; V381-V408 HydrophobicContact CB-CG2 4.09Å; V381-V408 HydrophobicContact CG2-CG1 3.72Å; V381-V408 HydrophobicContact CG2-CG2 4.06Å; K382-V408 WeakPolarHBondContact O-CB 3.37Å; K382-V408 WeakPolarHBondContact O-CG1 3.44Å; L383-V408 VanDerWaalsContact CD2-O 3.3Å; L383-V408 WeakPolarHBondContact CD2-O 3.46Å; D385-V408 HydrophobicContact CB-CG2 4.18Å; T386-V408 PolarHBondContact OG1-N 3.11Å; T386-V408 PolarHBondContact OG1-O 2.78Å; V406-V408 HydrophobicContact CG1-CG2 4.32Å
409	R	83.3	Confident	74.2	Confident	107 Å²	107	80.7 Å²	80.7	40%	0.404	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151	178.5	-60.3	-67.8	-157.1	167.3	6.7	111.3	L338 L339 K340 V341 V407 F412 E416	L338-R409 HydrophobicContact CD1-CG 4.14Å; L339-R409 PolarHBondContact O-N 3.2Å; K340-R409 WeakPolarHBondContact CA-O 3.41Å; V341-R409 PolarHBondContact N-O 3.48Å; V407-R409 HydrophobicContact CG1-CG 4.3Å; R409-F412 HydrophobicContact CB-CD1 3.93Å; R409-F412 HydrophobicContact CB-CE1 3.79Å; R409-F412 HydrophobicContact CG-CD1 4.11Å; R409-F412 HydrophobicContact CG-CE1 4.1Å; R409-E416 IonicContact CZ-OE1 3.55Å; R409-E416 IonicContact NE-OE1 2.74Å; R409-E416 PolarHBondContact NE-OE1 3.33Å; R409-E416 IonicContact NE-OE2 3.91Å; R409-E416 IonicContact NH2-OE1 2.87Å; R409-E416 PolarHBondContact NH2-OE1 2.79Å
410	Q	86.7	Confident	72.3	Confident	130 Å²	130	79.5 Å²	79.5	61%	0.607	37%	0.374	S	S	*	.	S	Bend	trans	-73.4	-42.4	168.9	-75	-178.4	3.4	0	0	111.5	K340 V341 L383	K340-Q410 VanDerWaalsContact CE-O 3.25Å; K340-Q410 WeakPolarHBondContact CE-O 3.44Å; V341-Q410 HydrophobicContact CG2-CG 4Å; L383-Q410 HydrophobicContact CD1-CG 4.08Å; L383-Q410 HydrophobicContact CD2-CG 4.17Å; L383-Q410 HydrophobicContact CG-CG 4.33Å
411	R	81	Confident	70.3	Confident	221 Å²	221	85.3 Å²	85.3	83%	0.834	40%	0.398	S	S	*	.	S	Bend	trans	-139.5	142.2	177	-66	-178.4	-179.9	-176.9	-0.4	107.8
412	F	68.9	Low	67.8	Low	34 Å²	34	85.6 Å²	85.6	15%	0.149	40%	0.398	C	S	.	.			trans	-89.9	139.2	175.5	-57.9	-62.4	0	0	0	110.1	L338 L339 K340 R409 E416 R417 R420	L338-F412 HydrophobicContact CD1-CD1 4.18Å; L338-F412 HydrophobicContact CD1-CE1 3.78Å; L338-F412 HydrophobicContact CD2-CD1 4.01Å; L338-F412 HydrophobicContact CD2-CE1 4.04Å; L338-F412 HydrophobicContact CG-CD1 4.06Å; L338-F412 HydrophobicContact CG-CE1 3.6Å; L338-F412 HydrophobicContact CG-CZ 4.43Å; L339-F412 WeakPolarHBondContact O-CZ 3.42Å; K340-F412 HydrophobicContact CB-CE2 3.8Å; K340-F412 HydrophobicContact CB-CZ 3.75Å; K340-F412 HydrophobicContact CD-CE2 4.38Å; K340-F412 HydrophobicContact CG-CE2 4.19Å; K340-F412 HydrophobicContact CG-CZ 4.38Å; R409-F412 HydrophobicContact CB-CD1 3.93Å; R409-F412 HydrophobicContact CB-CE1 3.79Å; R409-F412 HydrophobicContact CG-CD1 4.11Å; R409-F412 HydrophobicContact CG-CE1 4.1Å; F412-E416 WeakPolarHBondContact CA-OE2 3.46Å; F412-E416 HydrophobicContact CB-CB 4.01Å; F412-E416 HydrophobicContact CD1-CB 4.29Å; F412-R417 HydrophobicContact CB-CG 4.34Å; F412-R420 VanDerWaalsContact CZ-NH2 3.31Å
413	E	66.1	Low	65.8	Low	135 Å²	135	89 Å²	89	63%	0.631	43%	0.426	S	S	*	.			trans	-74.1	156.6	166.2	-65.3	177.5	-178.4	0	0	109.7	P415 E416 R417	E413-P415 VanDerWaalsContact C-CD 3.44Å; E413-P415 VanDerWaalsContact C-N 3.34Å; E413-E416 PolarHBondContact N-OE2 3.47Å; E413-E416 WeakPolarHBondContact O-CB 3.21Å; E413-E416 PolarHBondContact O-N 2.88Å; E413-R417 PolarHBondContact O-N 2.72Å
414	E	55.8	Low	63.8	Low	150 Å²	150	89.9 Å²	89.9	70%	0.701	43%	0.43	S	S	*	.	H	α-helix	trans	-49.1	-43	-177.5	-72.5	-171.9	157.7	0	0	115	E416 R417 Y418	E414-E416 VanDerWaalsContact C-N 3.28Å; E414-E416 PolarHBondContact O-N 2.82Å; E414-R417 PolarHBondContact O-N 2.95Å; E414-Y418 WeakPolarHBondContact O-CD2 3.21Å
415	P	54.5	Low	61.9	Low	90 Å²	90	94.8 Å²	94.8	58%	0.584	46%	0.464	S	S	*	.	H	α-helix	trans	-66.9	-26.9	177	19.5	-26.4	0	0	0	113.6	E413 R417	E413-P415 VanDerWaalsContact C-CD 3.44Å; E413-P415 VanDerWaalsContact C-N 3.34Å; P415-R417 VanDerWaalsContact C-N 3.33Å; P415-R417 PolarHBondContact O-N 2.61Å
416	E	52.4	Low	60.4	Low	26 Å²	26	101.4 Å²	101.4	12%	0.121	49%	0.489	C	S	.	.	H	α-helix	trans	-74.4	-22.7	179.8	-71.9	-175.4	152.8	0	0	112.5	L338 R409 F412 E413 E414 Y418 L419	L338-E416 HydrophobicContact CD2-CB 3.92Å; L338-E416 HydrophobicContact CD2-CG 4.45Å; L338-E416 WeakPolarHBondContact CD2-O 3.24Å; R409-E416 IonicContact CZ-OE1 3.55Å; R409-E416 IonicContact NE-OE1 2.74Å; R409-E416 PolarHBondContact NE-OE1 3.33Å; R409-E416 IonicContact NE-OE2 3.91Å; R409-E416 IonicContact NH2-OE1 2.87Å; R409-E416 PolarHBondContact NH2-OE1 2.79Å; F412-E416 WeakPolarHBondContact CA-OE2 3.46Å; F412-E416 HydrophobicContact CB-CB 4.01Å; F412-E416 HydrophobicContact CD1-CB 4.29Å; E413-E416 PolarHBondContact N-OE2 3.47Å; E413-E416 WeakPolarHBondContact O-CB 3.21Å; E413-E416 PolarHBondContact O-N 2.88Å; E414-E416 VanDerWaalsContact C-N 3.28Å; E414-E416 PolarHBondContact O-N 2.82Å; E416-Y418 VanDerWaalsContact C-N 3.31Å; E416-Y418 PolarHBondContact O-N 2.97Å; E416-L419 PolarHBondContact O-N 3.3Å
417	R	49	Very low	58.8	Low	158 Å²	158	106.8 Å²	106.8	60%	0.596	52%	0.518	S	S	*	.	H	α-helix	trans	-63.9	-35.3	176.5	-71.7	-173.4	-174.6	176.5	5.1	112.5	F412 E413 E414 P415 L419 R420 H421	F412-R417 HydrophobicContact CB-CG 4.34Å; E413-R417 PolarHBondContact O-N 2.72Å; E414-R417 PolarHBondContact O-N 2.95Å; P415-R417 VanDerWaalsContact C-N 3.33Å; P415-R417 PolarHBondContact O-N 2.61Å; R417-L419 VanDerWaalsContact C-N 3.29Å; R417-L419 PolarHBondContact O-N 3.14Å; R417-R420 PolarHBondContact O-N 3.47Å; R417-H421 PolarHBondContact O-CD2 2.91Å
418	Y	43.1	Very low	57.7	Low	181 Å²	181	107.9 Å²	107.9	71%	0.71	54%	0.537	S	S	*	.	H	α-helix	trans	-66.4	-30.6	179.1	-66	-83.1	0	0	0	112.7	E414 E416 R420 H421	E414-Y418 WeakPolarHBondContact O-CD2 3.21Å; E416-Y418 VanDerWaalsContact C-N 3.31Å; E416-Y418 PolarHBondContact O-N 2.97Å; Y418-R420 VanDerWaalsContact C-N 3.29Å; Y418-R420 PolarHBondContact O-N 3.17Å; Y418-H421 PolarHBondContact O-N 3.07Å
419	L	46.3	Very low	56.8	Low	100 Å²	100	112.8 Å²	112.8	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-71.5	-21.6	-178.2	-66.2	172.3	0	0	0	113.4	L338 E416 R417	L338-L419 HydrophobicContact CD2-CB 4.22Å; E416-L419 PolarHBondContact O-N 3.3Å; R417-L419 VanDerWaalsContact C-N 3.29Å; R417-L419 PolarHBondContact O-N 3.14Å
420	R	49.5	Very low	56.7	Low	84 Å²	84	112.6 Å²	112.6	32%	0.317	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-25.8	178.3	-83.7	-173.4	155.6	-140.7	-18.3	114.7	L338 L339 E343 F412 R417 Y418 N422	L338-R420 HydrophobicContact CD2-CG 4.44Å; L338-R420 PolarHBondContact O-NE 2.95Å; L338-R420 VanDerWaalsContact O-NE 3.14Å; L338-R420 PolarHBondContact O-NH2 3.23Å; L339-R420 VanDerWaalsContact C-NH2 3.31Å; E343-R420 IonicContact OE1-CZ 3.31Å; E343-R420 IonicContact OE1-NH1 3.89Å; E343-R420 PolarHBondContact OE1-NH1 3.46Å; E343-R420 IonicContact OE1-NH2 3.04Å; E343-R420 PolarHBondContact OE1-NH2 3.06Å; E343-R420 VanDerWaalsContact OE1-NH2 3.08Å; E343-R420 IonicContact OE2-CZ 3.36Å; E343-R420 IonicContact OE2-NH1 2.86Å; E343-R420 IonicContact OE2-NH2 3.33Å; E343-R420 PolarHBondContact OE2-NH2 2.63Å; F412-R420 VanDerWaalsContact CZ-NH2 3.31Å; R417-R420 PolarHBondContact O-N 3.47Å; Y418-R420 VanDerWaalsContact C-N 3.29Å; Y418-R420 PolarHBondContact O-N 3.17Å; R420-N422 PolarHBondContact O-N 3.08Å
421	H	44.5	Very low	56.6	Low	149 Å²	149	107.8 Å²	107.8	69%	0.69	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	2.8	-173.5	-71.3	-68.6	0	0	0	113.8	R417 Y418 R444	R417-H421 PolarHBondContact O-CD2 2.91Å; Y418-H421 PolarHBondContact O-N 3.07Å; H421-R444 PolarHBondContact O-NH1 2.74Å; H421-R444 VanDerWaalsContact O-NH1 3.1Å
422	N	39.7	Very low	56.8	Low	77 Å²	77	100 Å²	100	41%	0.412	52%	0.524	S	S	.	.			trans	-116.7	45.2	-176.7	-72.6	-13.1	0	0	0	114.3	R420 P424	R420-N422 PolarHBondContact O-N 3.08Å; N422-P424 VanDerWaalsContact O-CD 3.29Å; N422-P424 WeakPolarHBondContact O-CD 3.47Å
423	A	44.5	Very low	57.5	Low	85 Å²	85	100.5 Å²	100.5	70%	0.702	53%	0.528	S	S	*	.			trans	-84	110.9	161.3	0	0	0	0	0	109.2
424	P	45	Very low	58	Low	63 Å²	63	96.8 Å²	96.8	41%	0.409	51%	0.509	S	S	.	.			trans	-94.9	120.2	-179.9	9.4	11.9	0	0	0	109.6	N422 D442 Q448	N422-P424 VanDerWaalsContact O-CD 3.29Å; N422-P424 WeakPolarHBondContact O-CD 3.47Å; P424-D442 HydrophobicContact CB-CB 4.28Å; P424-D442 HydrophobicContact CG-CB 4.39Å; P424-Q448 VanDerWaalsContact CG-NE2 3.33Å
425	S	46.1	Very low	58.8	Low	103 Å²	103	96.6 Å²	96.6	72%	0.72	51%	0.505	S	S	*	.			trans	-100.7	117.4	167.5	62.3	0	0	0	0	109.9	D427	S425-D427 PolarHBondContact O-N 3.13Å
426	E	50.8	Low	59.3	Low	195 Å²	195	98.2 Å²	98.2	91%	0.911	51%	0.505	S	S	*	.	S	Bend	trans	66.9	23.9	156.7	-58.5	-150.1	159	0	0	122.1
427	D	54.9	Low	60.1	Low	114 Å²	114	97 Å²	97	61%	0.61	50%	0.499	S	S	*	.			trans	-118.4	146.3	173	-70	-38.5	0	0	0	113.6	S425 S443	S425-D427 PolarHBondContact O-N 3.13Å; D427-S443 VanDerWaalsContact CB-CB 3.42Å; D427-S443 WeakPolarHBondContact CB-OG 3.48Å
428	G	60.9	Low	61.4	Low	61 Å²	61	89.5 Å²	89.5	63%	0.629	47%	0.471	S	S	*	.			trans	-45.3	143.6	-169.3	0	0	0	0	0	115.6	S443	G428-S443 PolarHBondContact O-N 2.74Å
429	K	69.8	Low	63	Low	105 Å²	105	85.6 Å²	85.6	46%	0.457	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-92.2	130.3	175	-60.4	175.8	-169.7	168.2	0	109.3	E331 F441	E331-K429 IonicContact OE1-NZ 3.67Å; E331-K429 PolarHBondContact OE1-NZ 2.8Å; K429-F441 CarbonylContact C-O 3.56Å; K429-F441 VanDerWaalsContact CA-O 3.24Å; K429-F441 WeakPolarHBondContact CA-O 3.49Å
430	L	81.4	Confident	64.5	Low	103 Å²	103	81.2 Å²	81.2	54%	0.539	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.6	168.7	175.8	66	0	0	0	109.3	V432 F440 F441	L430-V432 HydrophobicContact CD2-CG2 4.03Å; L430-V432 HydrophobicContact CG-CG2 3.95Å; L430-F440 CarbonylContact O-C 3.6Å; L430-F440 WeakPolarHBondContact O-CA 3.4Å; L430-F441 HydrophobicContact CB-CB 4.35Å; L430-F441 PolarHBondContact N-O 3.16Å; L430-F441 PolarHBondContact O-N 3Å
431	A	84	Confident	65.8	Low	29 Å²	29	79.3 Å²	79.3	24%	0.24	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.2	174.4	0	0	0	0	0	109.9	L438 R439 F440 I485	A431-L438 HydrophobicContact CB-CD1 4.11Å; A431-R439 CarbonylContact C-O 3.49Å; A431-R439 WeakPolarHBondContact CA-O 3.41Å; A431-F440 HydrophobicContact CB-CD1 3.94Å; A431-F440 HydrophobicContact CB-CE1 3.82Å; A431-F440 HydrophobicContact CB-CZ 4.5Å; A431-I485 HydrophobicContact CB-CD1 3.31Å
432	V	85.6	Confident	67.2	Low	58 Å²	58	72.6 Å²	72.6	35%	0.352	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	115.4	-178.9	-177	0	0	0	0	109.7	L430 L438 R439 F441	L430-V432 HydrophobicContact CD2-CG2 4.03Å; L430-V432 HydrophobicContact CG-CG2 3.95Å; V432-L438 WeakPolarHBondContact O-CA 3.42Å; V432-L438 WeakPolarHBondContact O-CD1 3.46Å; V432-R439 PolarHBondContact N-O 2.83Å; V432-R439 PolarHBondContact O-N 3.16Å; V432-F441 HydrophobicContact CB-CE2 4.03Å; V432-F441 HydrophobicContact CG2-CD2 3.89Å; V432-F441 HydrophobicContact CG2-CE2 3.71Å
433	L	83.4	Confident	68.9	Low	45 Å²	45	71.9 Å²	71.9	24%	0.236	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.3	173.7	-66.8	78.4	0	0	0	108.4	L438 W473 A476 A487	L433-L438 HydrophobicContact CB-CD1 4.37Å; L433-L438 HydrophobicContact CD1-CD1 3.53Å; L433-L438 HydrophobicContact CG-CD1 3.58Å; L433-W473 HydrophobicContact CB-CB 4.11Å; L433-W473 HydrophobicContact CB-CD2 4.09Å; L433-W473 HydrophobicContact CB-CG 3.75Å; L433-W473 HydrophobicContact CD2-CB 4.13Å; L433-W473 HydrophobicContact CD2-CD2 3.58Å; L433-W473 HydrophobicContact CD2-CE3 3.51Å; L433-W473 HydrophobicContact CD2-CG 3.9Å; L433-W473 HydrophobicContact CD2-CH2 4.35Å; L433-W473 HydrophobicContact CD2-CZ2 4.45Å; L433-W473 HydrophobicContact CD2-CZ3 3.92Å; L433-W473 HydrophobicContact CG-CD2 4.26Å; L433-W473 HydrophobicContact CG-CG 4.39Å; L433-A476 HydrophobicContact CD1-CB 3.96Å; L433-A476 HydrophobicContact CD2-CB 3.76Å; L433-A487 HydrophobicContact CD2-CB 3.57Å
434	Y	77.5	Confident	70.3	Confident	57 Å²	57	73.3 Å²	73.3	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	168.4	-178.7	69.6	-70.8	0	0	0	110.2	E436 G437 R439 W473	Y434-E436 HydrophobicContact CD2-CB 4.11Å; Y434-E436 HydrophobicContact CE2-CB 3.61Å; Y434-E436 HydrophobicContact CE2-CG 4.43Å; Y434-E436 PolarHBondContact O-N 2.88Å; Y434-G437 VanDerWaalsContact CD1-C 3.43Å; Y434-G437 WeakPolarHBondContact CD1-O 3.45Å; Y434-G437 WeakPolarHBondContact CE1-O 3.36Å; Y434-G437 PolarHBondContact N-O 3.1Å; Y434-G437 PolarHBondContact O-N 2.88Å; Y434-R439 HydrophobicContact CD1-CG 4.31Å; Y434-R439 HydrophobicContact CE1-CB 4.36Å; Y434-R439 HydrophobicContact CE1-CG 3.6Å; Y434-R439 VanDerWaalsContact CZ-NE 3.34Å; Y434-R439 PolarHBondContact OH-NE 2.89Å; Y434-W473 PolarHBondContact O-NE1 2.62Å
435	K	71	Confident	71.8	Confident	145 Å²	145	75 Å²	75	63%	0.63	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.1	-172	-171.5	-177.9	177.7	-172.7	0	114.3
436	E	65.2	Low	73.1	Confident	124 Å²	124	71.6 Å²	71.6	58%	0.579	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	2.3	-176.4	-52	177.3	166.2	0	0	113.6	Y434 P452 T453	Y434-E436 HydrophobicContact CD2-CB 4.11Å; Y434-E436 HydrophobicContact CE2-CB 3.61Å; Y434-E436 HydrophobicContact CE2-CG 4.43Å; Y434-E436 PolarHBondContact O-N 2.88Å; E436-P452 CarbonylContact O-C 3.24Å; E436-T453 WeakPolarHBondContact O-CB 3.26Å; E436-T453 WeakPolarHBondContact O-CG2 3.08Å; E436-T453 PolarHBondContact O-N 3.02Å; E436-T453 PolarHBondContact O-OG1 3.12Å
437	G	70.5	Confident	74.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-150.5	176.7	0	0	0	0	0	116.1	Y434 I451 W473	Y434-G437 VanDerWaalsContact CD1-C 3.43Å; Y434-G437 WeakPolarHBondContact CD1-O 3.45Å; Y434-G437 WeakPolarHBondContact CE1-O 3.36Å; Y434-G437 PolarHBondContact N-O 3.1Å; Y434-G437 PolarHBondContact O-N 2.88Å; G437-I451 CarbonylContact C-O 3.59Å; G437-I451 WeakPolarHBondContact CA-O 3.37Å; G437-W473 PolarHBondContact O-NE1 2.78Å
438	L	75.9	Confident	74.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.3	173.4	177.2	69.3	0	0	0	109.6	A431 V432 L433 F440 A450 I451 I498	A431-L438 HydrophobicContact CB-CD1 4.11Å; V432-L438 WeakPolarHBondContact O-CA 3.42Å; V432-L438 WeakPolarHBondContact O-CD1 3.46Å; L433-L438 HydrophobicContact CB-CD1 4.37Å; L433-L438 HydrophobicContact CD1-CD1 3.53Å; L433-L438 HydrophobicContact CG-CD1 3.58Å; L438-F440 HydrophobicContact CD2-CD2 4.41Å; L438-F440 HydrophobicContact CD2-CE1 4.45Å; L438-F440 HydrophobicContact CD2-CE2 3.38Å; L438-F440 HydrophobicContact CD2-CZ 3.41Å; L438-F440 VanDerWaalsContact CD2-CZ 3.41Å; L438-F440 HydrophobicContact CG-CD2 4.37Å; L438-F440 HydrophobicContact CG-CE2 3.76Å; L438-F440 HydrophobicContact CG-CZ 4.14Å; L438-A450 CarbonylContact O-C 3.52Å; L438-A450 WeakPolarHBondContact O-CA 3.45Å; L438-I451 HydrophobicContact CB-CB 4.26Å; L438-I451 HydrophobicContact CB-CD1 4.44Å; L438-I451 HydrophobicContact CD2-CD1 3.97Å; L438-I451 PolarHBondContact N-O 3.35Å; L438-I451 PolarHBondContact O-N 3.21Å; L438-I498 HydrophobicContact CD2-CD1 3.99Å; L438-I498 HydrophobicContact CD2-CG2 3.89Å
439	R	77.4	Confident	75.1	Confident	100 Å²	100	66.7 Å²	66.7	38%	0.377	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.8	174.5	-77.7	170	-172.4	-171.2	2.5	110.2	A431 V432 Y434 F441 L447 K449 A450	A431-R439 CarbonylContact C-O 3.49Å; A431-R439 WeakPolarHBondContact CA-O 3.41Å; V432-R439 PolarHBondContact N-O 2.83Å; V432-R439 PolarHBondContact O-N 3.16Å; Y434-R439 HydrophobicContact CD1-CG 4.31Å; Y434-R439 HydrophobicContact CE1-CB 4.36Å; Y434-R439 HydrophobicContact CE1-CG 3.6Å; Y434-R439 VanDerWaalsContact CZ-NE 3.34Å; Y434-R439 PolarHBondContact OH-NE 2.89Å; R439-F441 HydrophobicContact CB-CD2 4.44Å; R439-F441 HydrophobicContact CB-CE2 3.61Å; R439-F441 HydrophobicContact CB-CZ 3.94Å; R439-L447 HydrophobicContact CB-CD1 3.77Å; R439-L447 HydrophobicContact CG-CD1 3.78Å; R439-K449 CarbonylContact C-O 3.56Å; R439-K449 WeakPolarHBondContact CA-O 3.43Å; R439-A450 HydrophobicContact CG-CB 3.96Å
440	F	75.9	Confident	74.8	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.5	174.9	-67.3	-95.6	0	0	0	109	L430 A431 L438 Q448 K449 I451 I485 I498 T500 A503	L430-F440 CarbonylContact O-C 3.6Å; L430-F440 WeakPolarHBondContact O-CA 3.4Å; A431-F440 HydrophobicContact CB-CD1 3.94Å; A431-F440 HydrophobicContact CB-CE1 3.82Å; A431-F440 HydrophobicContact CB-CZ 4.5Å; L438-F440 HydrophobicContact CD2-CD2 4.41Å; L438-F440 HydrophobicContact CD2-CE1 4.45Å; L438-F440 HydrophobicContact CD2-CE2 3.38Å; L438-F440 HydrophobicContact CD2-CZ 3.41Å; L438-F440 VanDerWaalsContact CD2-CZ 3.41Å; L438-F440 HydrophobicContact CG-CD2 4.37Å; L438-F440 HydrophobicContact CG-CE2 3.76Å; L438-F440 HydrophobicContact CG-CZ 4.14Å; F440-Q448 HydrophobicContact CB-CB 4.49Å; F440-Q448 PolarHBondContact O-N 3.41Å; F440-K449 HydrophobicContact CB-CB 4.38Å; F440-K449 HydrophobicContact CD2-CB 4.29Å; F440-K449 PolarHBondContact N-O 3.12Å; F440-K449 PolarHBondContact O-N 3.47Å; F440-I451 HydrophobicContact CE2-CD1 4.1Å; F440-I451 HydrophobicContact CE2-CG1 4.43Å; F440-I485 HydrophobicContact CE1-CD1 3.98Å; F440-I485 HydrophobicContact CZ-CD1 4.33Å; F440-I498 HydrophobicContact CZ-CG2 4.46Å; F440-T500 HydrophobicContact CE1-CG2 4.48Å; F440-A503 HydrophobicContact CD2-CB 3.84Å; F440-A503 HydrophobicContact CE2-CB 3.42Å; F440-A503 VanDerWaalsContact CE2-CB 3.42Å; F440-A503 HydrophobicContact CZ-CB 4.07Å
441	F	78.2	Confident	74.1	Confident	44 Å²	44	59.7 Å²	59.7	19%	0.193	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.6	176.1	-58	-91.9	0	0	0	109.3	K429 L430 V432 R439 C445 S446 L447	K429-F441 CarbonylContact C-O 3.56Å; K429-F441 VanDerWaalsContact CA-O 3.24Å; K429-F441 WeakPolarHBondContact CA-O 3.49Å; L430-F441 HydrophobicContact CB-CB 4.35Å; L430-F441 PolarHBondContact N-O 3.16Å; L430-F441 PolarHBondContact O-N 3Å; V432-F441 HydrophobicContact CB-CE2 4.03Å; V432-F441 HydrophobicContact CG2-CD2 3.89Å; V432-F441 HydrophobicContact CG2-CE2 3.71Å; R439-F441 HydrophobicContact CB-CD2 4.44Å; R439-F441 HydrophobicContact CB-CE2 3.61Å; R439-F441 HydrophobicContact CB-CZ 3.94Å; F441-C445 WeakPolarHBondContact CD1-O 3.24Å; F441-S446 CarbonylContact C-O 3.57Å; F441-S446 VanDerWaalsContact CA-O 3.24Å; F441-S446 WeakPolarHBondContact CA-O 3.29Å; F441-L447 HydrophobicContact CD1-CB 4.22Å; F441-L447 HydrophobicContact CD1-CD1 4.38Å; F441-L447 HydrophobicContact CE1-CB 4.05Å; F441-L447 HydrophobicContact CE1-CD1 3.96Å; F441-L447 HydrophobicContact CZ-CD1 4.08Å
442	D	73.5	Confident	73.1	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.043	31%	0.307	C	S	.	.			trans	-79.4	179	167.5	65.3	20	0	0	0	111.5	P424 R444 C445 S446 Q448	P424-D442 HydrophobicContact CB-CB 4.28Å; P424-D442 HydrophobicContact CG-CB 4.39Å; D442-R444 PolarHBondContact O-N 3.17Å; D442-R444 VanDerWaalsContact O-N 3.11Å; D442-R444 WeakPolarHBondContact OD1-CA 3.5Å; D442-R444 WeakPolarHBondContact OD1-CB 3.44Å; D442-R444 PolarHBondContact OD1-N 2.96Å; D442-R444 IonicContact OD2-NE 3.7Å; D442-R444 IonicContact OD2-NH2 3.78Å; D442-C445 WeakPolarHBondContact O-CA 3.47Å; D442-C445 PolarHBondContact O-N 3.44Å; D442-C445 PolarHBondContact OD1-N 2.84Å; D442-S446 PolarHBondContact N-O 2.78Å; D442-S446 WeakPolarHBondContact OD1-CB 2.79Å; D442-S446 PolarHBondContact OD1-N 2.8Å; D442-Q448 HydrophobicContact CB-CG 3.93Å; D442-Q448 PolarHBondContact OD2-NE2 3.11Å
443	S	74.6	Confident	71.8	Confident	62 Å²	62	59.2 Å²	59.2	43%	0.434	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17	177.5	59.9	0	0	0	0	114.7	D427 G428 C445	D427-S443 VanDerWaalsContact CB-CB 3.42Å; D427-S443 WeakPolarHBondContact CB-OG 3.48Å; G428-S443 PolarHBondContact O-N 2.74Å; S443-C445 VanDerWaalsContact C-N 3.31Å
444	R	75.6	Confident	70.5	Confident	116 Å²	116	65.5 Å²	65.5	44%	0.438	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	15	174.7	-60.6	178.9	-67	-176.5	-7.9	111.9	H421 D442 S446	H421-R444 PolarHBondContact O-NH1 2.74Å; H421-R444 VanDerWaalsContact O-NH1 3.1Å; D442-R444 PolarHBondContact O-N 3.17Å; D442-R444 VanDerWaalsContact O-N 3.11Å; D442-R444 WeakPolarHBondContact OD1-CA 3.5Å; D442-R444 WeakPolarHBondContact OD1-CB 3.44Å; D442-R444 PolarHBondContact OD1-N 2.96Å; D442-R444 IonicContact OD2-NE 3.7Å; D442-R444 IonicContact OD2-NH2 3.78Å; R444-S446 PolarHBondContact O-N 2.63Å; R444-S446 VanDerWaalsContact O-N 3.15Å
445	C	76.2	Confident	69.6	Low	99 Å²	99	65.5 Å²	65.5	67%	0.669	33%	0.33	S	S	*	.			trans	59	21.2	-176.4	-58.4	0	0	0	0	113.9	F441 D442 S443	F441-C445 WeakPolarHBondContact CD1-O 3.24Å; D442-C445 WeakPolarHBondContact O-CA 3.47Å; D442-C445 PolarHBondContact O-N 3.44Å; D442-C445 PolarHBondContact OD1-N 2.84Å; S443-C445 VanDerWaalsContact C-N 3.31Å
446	S	72.9	Confident	69.1	Low	31 Å²	31	59 Å²	59	22%	0.217	30%	0.302	C	S	.	.			trans	-85.6	132.3	177.8	-62.6	0	0	0	0	110.3	F441 D442 R444 Q448	F441-S446 CarbonylContact C-O 3.57Å; F441-S446 VanDerWaalsContact CA-O 3.24Å; F441-S446 WeakPolarHBondContact CA-O 3.29Å; D442-S446 PolarHBondContact N-O 2.78Å; D442-S446 WeakPolarHBondContact OD1-CB 2.79Å; D442-S446 PolarHBondContact OD1-N 2.8Å; R444-S446 PolarHBondContact O-N 2.63Å; R444-S446 VanDerWaalsContact O-N 3.15Å; S446-Q448 PolarHBondContact O-N 2.9Å
447	L	71.8	Confident	69	Low	95 Å²	95	54.9 Å²	54.9	50%	0.497	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	116.2	-180	-179.3	69.3	0	0	0	110.6	R439 F441	R439-L447 HydrophobicContact CB-CD1 3.77Å; R439-L447 HydrophobicContact CG-CD1 3.78Å; F441-L447 HydrophobicContact CD1-CB 4.22Å; F441-L447 HydrophobicContact CD1-CD1 4.38Å; F441-L447 HydrophobicContact CE1-CB 4.05Å; F441-L447 HydrophobicContact CE1-CD1 3.96Å; F441-L447 HydrophobicContact CZ-CD1 4.08Å
448	Q	69.2	Low	68.6	Low	87 Å²	87	55.8 Å²	55.8	41%	0.407	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-43.4	178.1	-69	-67.2	-39.1	0	0	111.8	P424 F440 D442 S446	P424-Q448 VanDerWaalsContact CG-NE2 3.33Å; F440-Q448 HydrophobicContact CB-CB 4.49Å; F440-Q448 PolarHBondContact O-N 3.41Å; D442-Q448 HydrophobicContact CB-CG 3.93Å; D442-Q448 PolarHBondContact OD2-NE2 3.11Å; S446-Q448 PolarHBondContact O-N 2.9Å
449	K	67.1	Low	67.7	Low	85 Å²	85	61.3 Å²	61.3	37%	0.37	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	149.2	-176.6	-165.4	148.7	178.8	-177	0	112.5	R439 F440 N502 A503	R439-K449 CarbonylContact C-O 3.56Å; R439-K449 WeakPolarHBondContact CA-O 3.43Å; F440-K449 HydrophobicContact CB-CB 4.38Å; F440-K449 HydrophobicContact CD2-CB 4.29Å; F440-K449 PolarHBondContact N-O 3.12Å; F440-K449 PolarHBondContact O-N 3.47Å; K449-N502 WeakPolarHBondContact CE-O 3.29Å; K449-N502 PolarHBondContact NZ-O 3.49Å; K449-A503 HydrophobicContact CB-CB 4.31Å; K449-A503 HydrophobicContact CD-CB 3.47Å; K449-A503 VanDerWaalsContact CD-CB 3.47Å; K449-A503 HydrophobicContact CG-CB 3.75Å
450	A	64.3	Low	66.6	Low	51 Å²	51	63.3 Å²	63.3	42%	0.421	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.7	173.3	0	0	0	0	0	110.8	L438 R439	L438-A450 CarbonylContact O-C 3.52Å; L438-A450 WeakPolarHBondContact O-CA 3.45Å; R439-A450 HydrophobicContact CG-CB 3.96Å
451	I	66.2	Low	65.5	Low	10 Å²	10	67.6 Å²	67.6	5%	0.051	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117	173.1	-53	179.7	0	0	0	107.5	G437 L438 F440 S455 I498 A503	G437-I451 CarbonylContact C-O 3.59Å; G437-I451 WeakPolarHBondContact CA-O 3.37Å; L438-I451 HydrophobicContact CB-CB 4.26Å; L438-I451 HydrophobicContact CB-CD1 4.44Å; L438-I451 HydrophobicContact CD2-CD1 3.97Å; L438-I451 PolarHBondContact N-O 3.35Å; L438-I451 PolarHBondContact O-N 3.21Å; F440-I451 HydrophobicContact CE2-CD1 4.1Å; F440-I451 HydrophobicContact CE2-CG1 4.43Å; I451-S455 WeakPolarHBondContact CG2-OG 3Å; I451-I498 HydrophobicContact CD1-CG2 4.07Å; I451-A503 HydrophobicContact CD1-CB 3.88Å; I451-A503 WeakPolarHBondContact CD1-O 3.24Å; I451-A503 HydrophobicContact CG1-CB 3.98Å; I451-A503 VanDerWaalsContact CG1-O 3.27Å; I451-A503 WeakPolarHBondContact CG1-O 3.33Å
452	P	62.3	Low	64.2	Low	43 Å²	43	70.2 Å²	70.2	28%	0.279	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	151.2	177.4	31	-33.6	0	0	0	112.7	E436 Y454 S455	E436-P452 CarbonylContact O-C 3.24Å; P452-Y454 VanDerWaalsContact C-N 3.27Å; P452-Y454 HydrophobicContact CB-CD1 3.63Å; P452-Y454 HydrophobicContact CB-CE1 3.3Å; P452-Y454 HydrophobicContact CG-CD1 3.77Å; P452-Y454 HydrophobicContact CG-CE1 3.08Å; P452-Y454 HydrophobicContact CG-CE2 3.96Å; P452-Y454 HydrophobicContact CG-CG 4.45Å; P452-Y454 VanDerWaalsContact CG-OH 3.3Å; P452-Y454 WeakPolarHBondContact CG-OH 3.31Å; P452-Y454 PolarHBondContact O-N 2.98Å; P452-Y454 VanDerWaalsContact O-N 3.15Å; P452-S455 PolarHBondContact O-N 3.47Å; P452-S455 PolarHBondContact O-OG 2.74Å
453	T	58.5	Low	63.1	Low	34 Å²	34	76 Å²	76	21%	0.209	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28	-177	29.2	0	0	0	0	115.8	E436 S455 L456 C471	E436-T453 WeakPolarHBondContact O-CB 3.26Å; E436-T453 WeakPolarHBondContact O-CG2 3.08Å; E436-T453 PolarHBondContact O-N 3.02Å; E436-T453 PolarHBondContact O-OG1 3.12Å; T453-S455 PolarHBondContact O-N 3.41Å; T453-L456 WeakPolarHBondContact O-CB 3.37Å; T453-L456 PolarHBondContact O-N 2.82Å; T453-C471 HydrophobicContact CG2-CB 3.9Å
454	Y	57.3	Low	62.3	Low	177 Å²	177	78.4 Å²	78.4	69%	0.694	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.8	177	65.4	-102.5	0	0	0	113.2	P452 L456	P452-Y454 VanDerWaalsContact C-N 3.27Å; P452-Y454 HydrophobicContact CB-CD1 3.63Å; P452-Y454 HydrophobicContact CB-CE1 3.3Å; P452-Y454 HydrophobicContact CG-CD1 3.77Å; P452-Y454 HydrophobicContact CG-CE1 3.08Å; P452-Y454 HydrophobicContact CG-CE2 3.96Å; P452-Y454 HydrophobicContact CG-CG 4.45Å; P452-Y454 VanDerWaalsContact CG-OH 3.3Å; P452-Y454 WeakPolarHBondContact CG-OH 3.31Å; P452-Y454 PolarHBondContact O-N 2.98Å; P452-Y454 VanDerWaalsContact O-N 3.15Å; Y454-L456 VanDerWaalsContact C-N 3.28Å
455	S	56.9	Low	61.3	Low	56 Å²	56	78.4 Å²	78.4	39%	0.392	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-86.9	-0.1	173.4	66.9	0	0	0	0	113.3	I451 P452 T453	I451-S455 WeakPolarHBondContact CG2-OG 3Å; P452-S455 PolarHBondContact O-N 3.47Å; P452-S455 PolarHBondContact O-OG 2.74Å; T453-S455 PolarHBondContact O-N 3.41Å
456	L	62.3	Low	60.2	Low	9 Å²	9	77.5 Å²	77.5	5%	0.047	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	159.3	175.6	-72.3	155.2	0	0	0	109.6	T453 Y454 C458 W473 I489 V505	T453-L456 WeakPolarHBondContact O-CB 3.37Å; T453-L456 PolarHBondContact O-N 2.82Å; Y454-L456 VanDerWaalsContact C-N 3.28Å; L456-C458 PolarHBondContact O-N 3.27Å; L456-W473 HydrophobicContact CD1-CH2 3.47Å; L456-W473 VanDerWaalsContact CD1-CH2 3.47Å; L456-W473 HydrophobicContact CD1-CZ2 3.28Å; L456-W473 HydrophobicContact CD2-CH2 3.65Å; L456-W473 HydrophobicContact CD2-CZ2 4.36Å; L456-W473 HydrophobicContact CG-CH2 4.2Å; L456-W473 HydrophobicContact CG-CZ2 4.44Å; L456-I489 HydrophobicContact CB-CD1 4.36Å; L456-I489 HydrophobicContact CD2-CD1 4.3Å; L456-V505 HydrophobicContact CD2-CG2 3.35Å; L456-V505 HydrophobicContact CG-CG2 4.07Å
457	P	61.5	Low	59.4	Low	38 Å²	38	85.1 Å²	85.1	25%	0.247	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	15	-178.2	26.3	-35.3	0	0	0	115.4	N459 I489 I492 V508	P457-N459 PolarHBondContact O-N 2.9Å; P457-I489 HydrophobicContact CG-CD1 3.8Å; P457-I492 HydrophobicContact CB-CD1 4.21Å; P457-I492 HydrophobicContact CG-CD1 4.16Å; P457-I492 WeakPolarHBondContact O-CD1 3.19Å; P457-V508 HydrophobicContact CG-CG1 4.14Å; P457-V508 HydrophobicContact CG-CG2 3.93Å
458	C	62.9	Low	58.6	Low	19 Å²	19	89.2 Å²	89.2	13%	0.128	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.5	-179.9	-66.3	0	0	0	0	115.8	L456 Q460 C471	L456-C458 PolarHBondContact O-N 3.27Å; C458-Q460 VanDerWaalsContact C-N 3.3Å; C458-Q460 PolarHBondContact O-N 3.04Å; C458-C471 WeakPolarHBondContact CA-SG 3.4Å; C458-C471 HydrophobicContact CB-CB 3.8Å; C458-C471 WeakPolarHBondContact CB-SG 3.43Å; C458-C471 WeakPolarHBondContact SG-CB 3.33Å; C458-C471 CovalentContact SG-SG 1.99Å; C458-C471 PolarHBondContact SG-SG 2.98Å
459	N	56.1	Low	58	Low	117 Å²	117	88.8 Å²	88.8	63%	0.626	49%	0.494	S	S	*	.			trans	-92.2	25.2	-165.4	-139.5	16.3	0	0	0	114.3	P457 T461	P457-N459 PolarHBondContact O-N 2.9Å; N459-T461 PolarHBondContact O-N 3.29Å
460	Q	55.1	Low	57.7	Low	142 Å²	142	87.7 Å²	87.7	66%	0.664	50%	0.501	S	S	*	.			trans	-77.9	102.4	171.5	-65.7	-169.8	12.4	0	0	109.2	C458 N462 T469	C458-Q460 VanDerWaalsContact C-N 3.3Å; C458-Q460 PolarHBondContact O-N 3.04Å; Q460-N462 PolarHBondContact O-N 3.43Å; Q460-T469 PolarHBondContact O-OG1 3Å
461	T	52.3	Low	57.8	Low	97 Å²	97	85.9 Å²	85.9	60%	0.595	49%	0.485	S	S	*	.			trans	-69.3	114.1	166.3	48	0	0	0	0	108.4	N459 S463	N459-T461 PolarHBondContact O-N 3.29Å; T461-S463 PolarHBondContact O-N 2.81Å; T461-S463 VanDerWaalsContact O-N 3.11Å
462	N	50.7	Low	58.4	Low	98 Å²	98	93.1 Å²	93.1	52%	0.524	51%	0.512	S	S	.	.			trans	-60.3	116.2	166.6	-87	-14.5	0	0	0	108.4	Q460 S464	Q460-N462 PolarHBondContact O-N 3.43Å; N462-S464 PolarHBondContact O-N 3.24Å
463	S	50.8	Low	59.4	Low	129 Å²	129	92.9 Å²	92.9	90%	0.902	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	2.9	-171.4	-36	0	0	0	0	115	T461	T461-S463 PolarHBondContact O-N 2.81Å; T461-S463 VanDerWaalsContact O-N 3.11Å
464	S	57.4	Low	60.8	Low	113 Å²	113	97.1 Å²	97.1	79%	0.79	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-6.9	-170.4	52.2	0	0	0	0	115.3	N462	N462-S464 PolarHBondContact O-N 3.24Å
465	D	56	Low	62.4	Low	116 Å²	116	91.1 Å²	91.1	62%	0.62	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	2.8	-175.3	-161.4	28.5	0	0	0	115.6	R467	D465-R467 PolarHBondContact O-N 2.94Å
466	G	52.9	Low	64.1	Low	81 Å²	81	90.2 Å²	90.2	84%	0.835	49%	0.493	S	S	*	.			trans	60	-0.7	178.8	0	0	0	0	0	115.6	K468	G466-K468 PolarHBondContact O-N 3.26Å
467	R	55.8	Low	65.6	Low	191 Å²	191	92 Å²	92	72%	0.721	50%	0.502	S	S	*	.			trans	-87.3	112.1	-174.9	-146	171.8	-172.7	173.1	1.9	108.7	D465 T469	D465-R467 PolarHBondContact O-N 2.94Å; R467-T469 PolarHBondContact O-N 2.81Å; R467-T469 VanDerWaalsContact O-N 3.08Å
468	K	55.2	Low	67	Low	181 Å²	181	92.5 Å²	92.5	79%	0.787	51%	0.51	S	S	*	.			trans	-59.5	112.4	169.8	-70.8	-176.6	-179.9	179	0	108.5	G466 A470	G466-K468 PolarHBondContact O-N 3.26Å; K468-A470 PolarHBondContact O-N 3.45Å
469	T	56.3	Low	68.3	Low	78 Å²	78	91.9 Å²	91.9	48%	0.479	51%	0.505	S	S	.	.			trans	-63.6	116.9	171.9	14.1	0	0	0	0	108.4	Q460 R467 C471	Q460-T469 PolarHBondContact O-OG1 3Å; R467-T469 PolarHBondContact O-N 2.81Å; R467-T469 VanDerWaalsContact O-N 3.08Å; T469-C471 PolarHBondContact O-N 2.84Å
470	A	60.3	Low	69.5	Low	61 Å²	61	91.7 Å²	91.7	50%	0.504	50%	0.501	S	S	.	.			trans	-65.7	129.7	176.6	0	0	0	0	0	109.2	K468 R472	K468-A470 PolarHBondContact O-N 3.45Å; A470-R472 PolarHBondContact O-N 2.88Å
471	C	66.3	Low	70.6	Confident	13 Å²	13	88.5 Å²	88.5	9%	0.088	49%	0.492	C	S	.	.			trans	-71.1	115.4	175.8	-113	0	0	0	0	110.6	T453 C458 T469 I489	T453-C471 HydrophobicContact CG2-CB 3.9Å; C458-C471 WeakPolarHBondContact CA-SG 3.4Å; C458-C471 HydrophobicContact CB-CB 3.8Å; C458-C471 WeakPolarHBondContact CB-SG 3.43Å; C458-C471 WeakPolarHBondContact SG-CB 3.33Å; C458-C471 CovalentContact SG-SG 1.99Å; C458-C471 PolarHBondContact SG-SG 2.98Å; T469-C471 PolarHBondContact O-N 2.84Å; C471-I489 WeakPolarHBondContact SG-CG2 3.1Å
472	R	78.6	Confident	71.9	Confident	163 Å²	163	86.8 Å²	86.8	62%	0.615	49%	0.488	S	S	*	.			trans	-108.6	131.5	173.4	-74.3	-176.2	140.9	-166.2	-5.9	108.6	A470 E490	A470-R472 PolarHBondContact O-N 2.88Å; R472-E490 HydrophobicContact CB-CB 3.94Å; R472-E490 WeakPolarHBondContact CB-OE2 3.28Å; R472-E490 VanDerWaalsContact CD-OE2 3.28Å; R472-E490 WeakPolarHBondContact CD-OE2 3.48Å; R472-E490 WeakPolarHBondContact O-CB 3.21Å; R472-E490 PolarHBondContact O-N 2.77Å
473	W	83.8	Confident	73.3	Confident	38 Å²	38	85.4 Å²	85.4	14%	0.144	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	138.5	171.8	-58.9	102.3	0	0	0	108.7	L433 Y434 G437 L456 A487 I488 I489 I498	L433-W473 HydrophobicContact CB-CB 4.11Å; L433-W473 HydrophobicContact CB-CD2 4.09Å; L433-W473 HydrophobicContact CB-CG 3.75Å; L433-W473 HydrophobicContact CD2-CB 4.13Å; L433-W473 HydrophobicContact CD2-CD2 3.58Å; L433-W473 HydrophobicContact CD2-CE3 3.51Å; L433-W473 HydrophobicContact CD2-CG 3.9Å; L433-W473 HydrophobicContact CD2-CH2 4.35Å; L433-W473 HydrophobicContact CD2-CZ2 4.45Å; L433-W473 HydrophobicContact CD2-CZ3 3.92Å; L433-W473 HydrophobicContact CG-CD2 4.26Å; L433-W473 HydrophobicContact CG-CG 4.39Å; Y434-W473 PolarHBondContact O-NE1 2.62Å; G437-W473 PolarHBondContact O-NE1 2.78Å; L456-W473 HydrophobicContact CD1-CH2 3.47Å; L456-W473 VanDerWaalsContact CD1-CH2 3.47Å; L456-W473 HydrophobicContact CD1-CZ2 3.28Å; L456-W473 HydrophobicContact CD2-CH2 3.65Å; L456-W473 HydrophobicContact CD2-CZ2 4.36Å; L456-W473 HydrophobicContact CG-CH2 4.2Å; L456-W473 HydrophobicContact CG-CZ2 4.44Å; W473-A487 HydrophobicContact CE3-CB 3.9Å; W473-A487 HydrophobicContact CH2-CB 4.47Å; W473-A487 HydrophobicContact CZ3-CB 3.54Å; W473-I488 WeakPolarHBondContact CA-O 3.42Å; W473-I489 HydrophobicContact CD2-CG1 4.43Å; W473-I489 HydrophobicContact CE3-CG1 3.58Å; W473-I489 HydrophobicContact CH2-CD1 4.3Å; W473-I489 HydrophobicContact CH2-CG1 4.14Å; W473-I489 HydrophobicContact CZ3-CD1 3.98Å; W473-I489 HydrophobicContact CZ3-CG1 3.41Å; W473-I489 VanDerWaalsContact CZ3-CG1 3.41Å; W473-I498 HydrophobicContact CH2-CD1 4.43Å
474	R	87.6	Confident	75.1	Confident	122 Å²	122	79.2 Å²	79.2	46%	0.46	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-49.1	-178	-175.8	174.4	-179.7	158.4	3.9	112.7	I488 T516	R474-I488 HydrophobicContact CB-CB 4.12Å; R474-I488 HydrophobicContact CB-CG2 3.75Å; R474-I488 PolarHBondContact N-O 2.87Å; R474-T516 VanDerWaalsContact CZ-CA 3.5Å; R474-T516 VanDerWaalsContact CZ-CB 3.41Å; R474-T516 PolarHBondContact NE-O 2.82Å; R474-T516 VanDerWaalsContact NE-O 3.08Å; R474-T516 VanDerWaalsContact NH2-CB 3.32Å
475	D	91.8	Very high	76.7	Confident	51 Å²	51	74.5 Å²	74.5	27%	0.273	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.1	-176.7	-165.6	13.2	0	0	0	109.6	A487 I488 K517 L518	D475-A487 WeakPolarHBondContact O-CA 3.2Å; D475-I488 HydrophobicContact CB-CD1 4.08Å; D475-I488 PolarHBondContact O-N 3.03Å; D475-K517 WeakPolarHBondContact OD2-CA 3.25Å; D475-L518 PolarHBondContact OD2-N 3.36Å
476	A	92.6	Very high	78.5	Confident	38 Å²	38	69 Å²	69	31%	0.314	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	145.2	175.1	0	0	0	0	0	111.9	L433 I485 Y486 A487	L433-A476 HydrophobicContact CD1-CB 3.96Å; L433-A476 HydrophobicContact CD2-CB 3.76Å; A476-I485 HydrophobicContact CB-CG2 4.28Å; A476-Y486 CarbonylContact C-O 3.53Å; A476-Y486 WeakPolarHBondContact CA-O 3.48Å; A476-A487 HydrophobicContact CB-CB 4.05Å
477	I	93.2	Very high	80.4	Confident	45 Å²	45	65.1 Å²	65.1	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.3	178.4	-162.6	157.1	0	0	0	110.9	I485 Y486 L518 Y520 L527	I477-I485 WeakPolarHBondContact O-CA 3.37Å; I477-Y486 PolarHBondContact N-O 2.84Å; I477-Y486 PolarHBondContact O-N 2.89Å; I477-L518 HydrophobicContact CB-CB 4.28Å; I477-L518 HydrophobicContact CG2-CB 3.74Å; I477-L518 HydrophobicContact CG2-CD1 4.02Å; I477-Y520 VanDerWaalsContact CD1-N 3.33Å; I477-L527 HydrophobicContact CG2-CD1 3.49Å; I477-L527 VanDerWaalsContact CG2-CD1 3.49Å
478	A	90.8	Very high	82.1	Confident	49 Å²	49	56 Å²	56	41%	0.405	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146	175.4	0	0	0	0	0	110.8	A482 Y484 I485	A478-A482 HydrophobicContact CB-CB 4.4Å; A478-Y484 WeakPolarHBondContact CA-O 3.41Å; A478-I485 HydrophobicContact CB-CG1 4.28Å
479	T	90.5	Very high	83.3	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.037	26%	0.258	C	S	.	.			trans	-74.3	172.5	173.4	61.5	0	0	0	0	111.8	P481 A482 R483 Y484 Y486 Y520 A549	T479-P481 CarbonylContact C-O 3.57Å; T479-P481 VanDerWaalsContact C-O 3.24Å; T479-P481 CarbonylContact O-C 3.48Å; T479-P481 PolarHBondContact OG1-O 2.85Å; T479-A482 WeakPolarHBondContact O-CA 3.2Å; T479-A482 PolarHBondContact O-N 3.38Å; T479-A482 VanDerWaalsContact O-N 3.12Å; T479-R483 PolarHBondContact OG1-N 3.03Å; T479-Y484 PolarHBondContact N-O 3.47Å; T479-Y484 PolarHBondContact OG1-N 3.41Å; T479-Y484 PolarHBondContact OG1-O 3.4Å; T479-Y486 HydrophobicContact CG2-CD2 4.06Å; T479-Y486 HydrophobicContact CG2-CE2 3.61Å; T479-Y520 HydrophobicContact CG2-CD2 4.43Å; T479-Y520 HydrophobicContact CG2-CE2 4.05Å; T479-A549 HydrophobicContact CG2-CB 4.43Å
480	Q	81.3	Confident	84.4	Confident	113 Å²	113	48.3 Å²	48.3	53%	0.528	26%	0.256	S	S	.	.	S	Bend	trans	-125.6	116.1	171.5	-170.3	170	-7.7	0	0	109.9	Y520 W522	Q480-Y520 HydrophobicContact CB-CE1 3.91Å; Q480-Y520 PolarHBondContact N-OH 2.03Å; Q480-Y520 PolarHBondContact O-OH 3.33Å; Q480-W522 HydrophobicContact CB-CB 3.87Å
481	P	77.9	Confident	85.2	Confident	75 Å²	75	48.7 Å²	48.7	49%	0.487	27%	0.266	S	S	.	.	S	Bend	cis	-62.7	159.2	-6.3	29.3	-35.4	0	0	0	112	T479 R483	T479-P481 CarbonylContact C-O 3.57Å; T479-P481 VanDerWaalsContact C-O 3.24Å; T479-P481 CarbonylContact O-C 3.48Å; T479-P481 PolarHBondContact OG1-O 2.85Å; P481-R483 HydrophobicContact CG-CG 4.12Å; P481-R483 PolarHBondContact O-N 2.9Å
482	A	79.3	Confident	85.8	Confident	62 Å²	62	49.5 Å²	49.5	51%	0.512	27%	0.269	S	S	.	.	S	Bend	trans	-72.5	57.6	-173.9	0	0	0	0	0	113.7	A478 T479 T500	A478-A482 HydrophobicContact CB-CB 4.4Å; T479-A482 WeakPolarHBondContact O-CA 3.2Å; T479-A482 PolarHBondContact O-N 3.38Å; T479-A482 VanDerWaalsContact O-N 3.12Å; A482-T500 WeakPolarHBondContact O-CB 3.21Å; A482-T500 WeakPolarHBondContact O-CG2 3.24Å; A482-T500 PolarHBondContact O-OG1 3.43Å
483	R	79.9	Confident	86.1	Confident	68 Å²	68	47.8 Å²	47.8	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-78.6	-32	175.9	-66.4	175	177.7	-166.1	-6.4	112	L352 T479 P481 T500	L352-R483 PolarHBondContact O-NH1 2.88Å; L352-R483 PolarHBondContact O-NH2 2.73Å; T479-R483 PolarHBondContact OG1-N 3.03Å; P481-R483 HydrophobicContact CG-CG 4.12Å; P481-R483 PolarHBondContact O-N 2.9Å; R483-T500 WeakPolarHBondContact CA-OG1 3.25Å; R483-T500 PolarHBondContact O-N 2.78Å; R483-T500 PolarHBondContact O-OG1 3.34Å; R483-T500 VanDerWaalsContact O-OG1 3.07Å
484	Y	88.5	Confident	86.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.2	179.9	-59	-70.6	0	0	0	112	A478 T479 K497 I498 N499 E506 S550 K551 P552	A478-Y484 WeakPolarHBondContact CA-O 3.41Å; T479-Y484 PolarHBondContact N-O 3.47Å; T479-Y484 PolarHBondContact OG1-N 3.41Å; T479-Y484 PolarHBondContact OG1-O 3.4Å; Y484-K497 HydrophobicContact CD1-CD 4.25Å; Y484-K497 HydrophobicContact CD1-CG 3.89Å; Y484-K497 VanDerWaalsContact CE1-CE 3.43Å; Y484-K497 HydrophobicContact CG-CG 4.23Å; Y484-I498 CarbonylContact C-O 3.58Å; Y484-I498 VanDerWaalsContact CA-O 3.25Å; Y484-I498 WeakPolarHBondContact CA-O 3.3Å; Y484-N499 HydrophobicContact CD1-CB 4.2Å; Y484-N499 HydrophobicContact CE1-CB 3.95Å; Y484-E506 WeakPolarHBondContact CE1-OE2 3.23Å; Y484-S550 WeakPolarHBondContact CE2-O 3.37Å; Y484-K551 WeakPolarHBondContact CE2-O 2.99Å; Y484-P552 WeakPolarHBondContact OH-CA 3.28Å; Y484-P552 VanDerWaalsContact OH-CB 3.31Å; Y484-P552 WeakPolarHBondContact OH-CB 2.96Å
485	I	92	Very high	86.5	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	163	-66.1	164.1	0	0	0	107.2	A431 F440 A476 I477 A478 I498 T500	A431-I485 HydrophobicContact CB-CD1 3.31Å; F440-I485 HydrophobicContact CE1-CD1 3.98Å; F440-I485 HydrophobicContact CZ-CD1 4.33Å; A476-I485 HydrophobicContact CB-CG2 4.28Å; I477-I485 WeakPolarHBondContact O-CA 3.37Å; A478-I485 HydrophobicContact CB-CG1 4.28Å; I485-I498 HydrophobicContact CB-CB 4.36Å; I485-I498 PolarHBondContact N-O 2.92Å; I485-I498 PolarHBondContact O-N 2.77Å; I485-T500 HydrophobicContact CD1-CG2 3.87Å; I485-T500 HydrophobicContact CG1-CG2 3.76Å
486	Y	93.6	Very high	86.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.6	168.1	-69.5	-88.3	0	0	0	108.7	A476 I477 T479 V495 A496 K497 L509 L518 L527 A549 H555	A476-Y486 CarbonylContact C-O 3.53Å; A476-Y486 WeakPolarHBondContact CA-O 3.48Å; I477-Y486 PolarHBondContact N-O 2.84Å; I477-Y486 PolarHBondContact O-N 2.89Å; T479-Y486 HydrophobicContact CG2-CD2 4.06Å; T479-Y486 HydrophobicContact CG2-CE2 3.61Å; Y486-V495 HydrophobicContact CD1-CG1 4.09Å; Y486-A496 CarbonylContact C-O 3.48Å; Y486-A496 VanDerWaalsContact CA-O 3.28Å; Y486-A496 WeakPolarHBondContact CA-O 3.45Å; Y486-K497 HydrophobicContact CD1-CB 4.1Å; Y486-K497 HydrophobicContact CD1-CG 4.47Å; Y486-K497 HydrophobicContact CE1-CB 3.68Å; Y486-K497 HydrophobicContact CE1-CD 4.11Å; Y486-K497 HydrophobicContact CE1-CG 3.76Å; Y486-K497 WeakPolarHBondContact OH-CD 3.17Å; Y486-L509 HydrophobicContact CD1-CD1 4.09Å; Y486-L509 HydrophobicContact CE1-CD1 3.74Å; Y486-L518 WeakPolarHBondContact O-CD1 3.22Å; Y486-L527 HydrophobicContact CD1-CD2 3.41Å; Y486-L527 VanDerWaalsContact CD1-CD2 3.41Å; Y486-L527 HydrophobicContact CD2-CD1 4.26Å; Y486-L527 HydrophobicContact CD2-CD2 4Å; Y486-L527 HydrophobicContact CE1-CD2 3.84Å; Y486-L527 HydrophobicContact CE2-CD2 4.39Å; Y486-L527 HydrophobicContact CG-CD1 4.18Å; Y486-L527 HydrophobicContact CG-CD2 3.48Å; Y486-L527 VanDerWaalsContact CG-CD2 3.48Å; Y486-L527 HydrophobicContact CG-CG 4.43Å; Y486-A549 HydrophobicContact CE2-CB 3.87Å; Y486-A549 WeakPolarHBondContact CE2-O 3.35Å; Y486-A549 PolarHBondContact OH-O 2.68Å; Y486-H555 PolarHBondContact OH-CD2 2.04Å; Y486-H555 PolarHBondContact OH-NE2 3.39Å
487	A	92.5	Very high	86.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.3	-174.9	0	0	0	0	0	112.3	L433 W473 D475 A476 A496 I498	L433-A487 HydrophobicContact CD2-CB 3.57Å; W473-A487 HydrophobicContact CE3-CB 3.9Å; W473-A487 HydrophobicContact CH2-CB 4.47Å; W473-A487 HydrophobicContact CZ3-CB 3.54Å; D475-A487 WeakPolarHBondContact O-CA 3.2Å; A476-A487 HydrophobicContact CB-CB 4.05Å; A487-A496 PolarHBondContact N-O 3.19Å; A487-A496 PolarHBondContact O-N 3.4Å; A487-I498 HydrophobicContact CB-CD1 4.24Å
488	I	91.2	Very high	85.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.2	175.5	-64	174	0	0	0	109.7	W473 R474 D475 V495 P515 L518	W473-I488 WeakPolarHBondContact CA-O 3.42Å; R474-I488 HydrophobicContact CB-CB 4.12Å; R474-I488 HydrophobicContact CB-CG2 3.75Å; R474-I488 PolarHBondContact N-O 2.87Å; D475-I488 HydrophobicContact CB-CD1 4.08Å; D475-I488 PolarHBondContact O-N 3.03Å; I488-V495 HydrophobicContact CG1-CG2 4.23Å; I488-P515 HydrophobicContact CD1-CB 3.77Å; I488-P515 HydrophobicContact CD1-CG 4.42Å; I488-P515 HydrophobicContact CG1-CB 4Å; I488-P515 HydrophobicContact CG1-CG 4.19Å; I488-P515 HydrophobicContact CG2-CB 4.41Å; I488-P515 HydrophobicContact CG2-CG 3.96Å; I488-P515 WeakPolarHBondContact CG2-O 3.44Å; I488-L518 HydrophobicContact CD1-CD1 4.41Å; I488-L518 HydrophobicContact CD1-CD2 3.92Å; I488-L518 HydrophobicContact CD1-CG 3.76Å; I488-L518 HydrophobicContact CG1-CD1 4.04Å; I488-L518 HydrophobicContact CG1-CD2 4.03Å; I488-L518 HydrophobicContact CG1-CG 3.91Å
489	I	81.4	Confident	85.5	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.1	167.8	-58.9	166.9	0	0	0	108	L456 P457 C471 W473 I492	L456-I489 HydrophobicContact CB-CD1 4.36Å; L456-I489 HydrophobicContact CD2-CD1 4.3Å; P457-I489 HydrophobicContact CG-CD1 3.8Å; C471-I489 WeakPolarHBondContact SG-CG2 3.1Å; W473-I489 HydrophobicContact CD2-CG1 4.43Å; W473-I489 HydrophobicContact CE3-CG1 3.58Å; W473-I489 HydrophobicContact CH2-CD1 4.3Å; W473-I489 HydrophobicContact CH2-CG1 4.14Å; W473-I489 HydrophobicContact CZ3-CD1 3.98Å; W473-I489 HydrophobicContact CZ3-CG1 3.41Å; W473-I489 VanDerWaalsContact CZ3-CG1 3.41Å; I489-I492 HydrophobicContact CB-CB 4.37Å; I489-I492 HydrophobicContact CB-CD1 3.98Å; I489-I492 HydrophobicContact CB-CG1 4.26Å; I489-I492 HydrophobicContact CD1-CD1 4.24Å; I489-I492 HydrophobicContact CG2-CD1 3.56Å; I489-I492 HydrophobicContact CG2-CG1 3.89Å; I489-I492 PolarHBondContact O-N 3.24Å
490	E	79.5	Confident	84.9	Confident	94 Å²	94	32.8 Å²	32.8	44%	0.439	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	135.6	177.8	-167.5	179	-172.5	0	0	110.8	R472 I492	R472-E490 HydrophobicContact CB-CB 3.94Å; R472-E490 WeakPolarHBondContact CB-OE2 3.28Å; R472-E490 VanDerWaalsContact CD-OE2 3.28Å; R472-E490 WeakPolarHBondContact CD-OE2 3.48Å; R472-E490 WeakPolarHBondContact O-CB 3.21Å; R472-E490 PolarHBondContact O-N 2.77Å; E490-I492 PolarHBondContact O-N 3.45Å
491	G	75.9	Confident	84.4	Confident	68 Å²	68	27.8 Å²	27.8	70%	0.701	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-5.6	-177.7	0	0	0	0	0	114.5
492	I	79.2	Confident	84	Confident	31 Å²	31	25.5 Å²	25.5	16%	0.159	15%	0.149	C	C	.	.	S	Bend	trans	-109.6	129.6	173.5	-50.9	-175.4	0	0	0	109.2	P457 I489 E490 A494 Q514	P457-I492 HydrophobicContact CB-CD1 4.21Å; P457-I492 HydrophobicContact CG-CD1 4.16Å; P457-I492 WeakPolarHBondContact O-CD1 3.19Å; I489-I492 HydrophobicContact CB-CB 4.37Å; I489-I492 HydrophobicContact CB-CD1 3.98Å; I489-I492 HydrophobicContact CB-CG1 4.26Å; I489-I492 HydrophobicContact CD1-CD1 4.24Å; I489-I492 HydrophobicContact CG2-CD1 3.56Å; I489-I492 HydrophobicContact CG2-CG1 3.89Å; I489-I492 PolarHBondContact O-N 3.24Å; E490-I492 PolarHBondContact O-N 3.45Å; I492-A494 HydrophobicContact CG2-CB 3.77Å; I492-A494 PolarHBondContact O-N 2.49Å; I492-Q514 PolarHBondContact O-NE2 3.25Å; I492-Q514 PolarHBondContact O-OE1 3.46Å
493	K	85.8	Confident	83.7	Confident	127 Å²	127	23.1 Å²	23.1	55%	0.552	13%	0.129	S	C	*	.	S	Bend	trans	-76.9	59.3	169.6	-60.2	-179.1	-174.9	175.6	0	110.6	T511	K493-T511 WeakPolarHBondContact CA-OG1 3.48Å; K493-T511 PolarHBondContact O-N 2.9Å; K493-T511 PolarHBondContact O-OG1 2.89Å; K493-T511 VanDerWaalsContact O-OG1 3.07Å
494	A	87.9	Confident	83.4	Confident	6 Å²	6	26.2 Å²	26.2	5%	0.05	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	159.5	178	0	0	0	0	0	113.2	I492 V508 L509 T511	I492-A494 HydrophobicContact CG2-CB 3.77Å; I492-A494 PolarHBondContact O-N 2.49Å; A494-V508 HydrophobicContact CB-CG1 3.51Å; A494-L509 CarbonylContact C-O 3.56Å; A494-L509 WeakPolarHBondContact CA-O 3Å; A494-L509 VanDerWaalsContact CB-O 3.24Å; A494-L509 WeakPolarHBondContact CB-O 2.99Å; A494-T511 PolarHBondContact N-OG1 3.23Å
495	V	91.1	Very high	83	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.1	170.5	-176.5	0	0	0	0	108.9	Y486 I488 L509 T511 P515 L518 I529	Y486-V495 HydrophobicContact CD1-CG1 4.09Å; I488-V495 HydrophobicContact CG1-CG2 4.23Å; V495-L509 HydrophobicContact CB-CB 4.46Å; V495-L509 PolarHBondContact N-O 3.07Å; V495-L509 WeakPolarHBondContact O-CB 3.22Å; V495-L509 PolarHBondContact O-N 3.28Å; V495-T511 HydrophobicContact CG2-CG2 4.07Å; V495-P515 HydrophobicContact CG2-CB 4.06Å; V495-P515 HydrophobicContact CG2-CG 4.1Å; V495-L518 HydrophobicContact CG1-CD1 4.11Å; V495-L518 HydrophobicContact CG1-CD2 4.17Å; V495-L518 HydrophobicContact CG2-CD2 4.03Å; V495-I529 HydrophobicContact CG2-CD1 3.96Å; V495-I529 HydrophobicContact CG2-CG1 4.32Å; V495-I529 HydrophobicContact CG2-CG2 3.94Å
496	A	89.6	Confident	82.5	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	129	177	0	0	0	0	0	110.6	Y486 A487 I498 V505	Y486-A496 CarbonylContact C-O 3.48Å; Y486-A496 VanDerWaalsContact CA-O 3.28Å; Y486-A496 WeakPolarHBondContact CA-O 3.45Å; A487-A496 PolarHBondContact N-O 3.19Å; A487-A496 PolarHBondContact O-N 3.4Å; A496-I498 HydrophobicContact CB-CG1 4.4Å; A496-V505 HydrophobicContact CB-CG1 4.46Å
497	K	89.9	Confident	82.1	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.2	169.2	179.6	-178.2	177.8	171.4	0	109.2	Y484 Y486 E506 Q507 K551 I553 H555	Y484-K497 HydrophobicContact CD1-CD 4.25Å; Y484-K497 HydrophobicContact CD1-CG 3.89Å; Y484-K497 VanDerWaalsContact CE1-CE 3.43Å; Y484-K497 HydrophobicContact CG-CG 4.23Å; Y486-K497 HydrophobicContact CD1-CB 4.1Å; Y486-K497 HydrophobicContact CD1-CG 4.47Å; Y486-K497 HydrophobicContact CE1-CB 3.68Å; Y486-K497 HydrophobicContact CE1-CD 4.11Å; Y486-K497 HydrophobicContact CE1-CG 3.76Å; Y486-K497 WeakPolarHBondContact OH-CD 3.17Å; K497-E506 PolarHBondContact O-N 3.26Å; K497-Q507 HydrophobicContact CB-CB 4.11Å; K497-Q507 HydrophobicContact CD-CB 4.39Å; K497-Q507 PolarHBondContact N-O 3.45Å; K497-Q507 PolarHBondContact O-N 3.05Å; K497-K551 PolarHBondContact NZ-O 3.23Å; K497-I553 PolarHBondContact NZ-O 2.94Å; K497-H555 PolarHBondContact NZ-CD2 3.16Å; K497-H555 VanDerWaalsContact NZ-CD2 3.3Å; K497-H555 PolarHBondContact NZ-NE2 3.31Å
498	I	86.3	Confident	81.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.7	-173	-54.8	167.8	0	0	0	108.7	L438 F440 I451 W473 Y484 I485 A487 A496 K504 V505	L438-I498 HydrophobicContact CD2-CD1 3.99Å; L438-I498 HydrophobicContact CD2-CG2 3.89Å; F440-I498 HydrophobicContact CZ-CG2 4.46Å; I451-I498 HydrophobicContact CD1-CG2 4.07Å; W473-I498 HydrophobicContact CH2-CD1 4.43Å; Y484-I498 CarbonylContact C-O 3.58Å; Y484-I498 VanDerWaalsContact CA-O 3.25Å; Y484-I498 WeakPolarHBondContact CA-O 3.3Å; I485-I498 HydrophobicContact CB-CB 4.36Å; I485-I498 PolarHBondContact N-O 2.92Å; I485-I498 PolarHBondContact O-N 2.77Å; A487-I498 HydrophobicContact CB-CD1 4.24Å; A496-I498 HydrophobicContact CB-CG1 4.4Å; I498-K504 WeakPolarHBondContact CA-O 3.4Å; I498-V505 HydrophobicContact CG1-CG2 4.35Å
499	N	81.8	Confident	81.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.6	175.7	174.9	-23.7	0	0	0	110.4	L329 Y484 A501 N502 A503 K504 E506	L329-N499 WeakPolarHBondContact CD1-ND2 3.44Å; Y484-N499 HydrophobicContact CD1-CB 4.2Å; Y484-N499 HydrophobicContact CE1-CB 3.95Å; N499-A501 WeakPolarHBondContact OD1-CA 3.34Å; N499-A501 WeakPolarHBondContact OD1-CB 3.5Å; N499-A501 PolarHBondContact OD1-N 3.38Å; N499-N502 VanDerWaalsContact CB-OD1 3.24Å; N499-N502 WeakPolarHBondContact CB-OD1 3.18Å; N499-N502 PolarHBondContact ND2-ND2 2.92Å; N499-N502 VanDerWaalsContact ND2-ND2 3.15Å; N499-N502 PolarHBondContact ND2-OD1 2.81Å; N499-N502 PolarHBondContact OD1-N 3.44Å; N499-N502 PolarHBondContact OD1-OD1 2.83Å; N499-A503 WeakPolarHBondContact O-CA 3.36Å; N499-A503 PolarHBondContact O-N 3.47Å; N499-K504 PolarHBondContact N-O 3.02Å; N499-K504 PolarHBondContact O-N 2.78Å; N499-E506 HydrophobicContact CB-CG 3.76Å; N499-E506 WeakPolarHBondContact CB-OE1 3.5Å; N499-E506 PolarHBondContact ND2-OE1 2.04Å
500	T	78.9	Confident	81.9	Confident	23 Å²	23	43 Å²	43	14%	0.141	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.6	-175.4	61.4	0	0	0	0	113.6	F440 A482 R483 I485	F440-T500 HydrophobicContact CE1-CG2 4.48Å; A482-T500 WeakPolarHBondContact O-CB 3.21Å; A482-T500 WeakPolarHBondContact O-CG2 3.24Å; A482-T500 PolarHBondContact O-OG1 3.43Å; R483-T500 WeakPolarHBondContact CA-OG1 3.25Å; R483-T500 PolarHBondContact O-N 2.78Å; R483-T500 PolarHBondContact O-OG1 3.34Å; R483-T500 VanDerWaalsContact O-OG1 3.07Å; I485-T500 HydrophobicContact CD1-CG2 3.87Å; I485-T500 HydrophobicContact CG1-CG2 3.76Å
501	A	69.7	Low	82.2	Confident	7 Å²	7	39.1 Å²	39.1	6%	0.058	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-45.8	178.7	0	0	0	0	0	110.8	E331 L352 N499	E331-A501 HydrophobicContact CB-CB 3.97Å; E331-A501 HydrophobicContact CG-CB 4.06Å; L352-A501 HydrophobicContact CD1-CB 3.92Å; N499-A501 WeakPolarHBondContact OD1-CA 3.34Å; N499-A501 WeakPolarHBondContact OD1-CB 3.5Å; N499-A501 PolarHBondContact OD1-N 3.38Å
502	N	71	Confident	82.3	Confident	28 Å²	28	38 Å²	38	15%	0.15	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	1.4	-176.9	68.4	18.9	0	0	0	114	K449 N499 K504	K449-N502 WeakPolarHBondContact CE-O 3.29Å; K449-N502 PolarHBondContact NZ-O 3.49Å; N499-N502 VanDerWaalsContact CB-OD1 3.24Å; N499-N502 WeakPolarHBondContact CB-OD1 3.18Å; N499-N502 PolarHBondContact ND2-ND2 2.92Å; N499-N502 VanDerWaalsContact ND2-ND2 3.15Å; N499-N502 PolarHBondContact ND2-OD1 2.81Å; N499-N502 PolarHBondContact OD1-N 3.44Å; N499-N502 PolarHBondContact OD1-OD1 2.83Å; N502-K504 VanDerWaalsContact C-N 3.35Å; N502-K504 PolarHBondContact O-N 2.96Å; N502-K504 VanDerWaalsContact OD1-CB 3.23Å; N502-K504 WeakPolarHBondContact OD1-CB 2.94Å; N502-K504 PolarHBondContact OD1-N 2.71Å; N502-K504 VanDerWaalsContact OD1-N 3.14Å
503	A	71.4	Confident	82.6	Confident	11 Å²	11	41.9 Å²	41.9	9%	0.091	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	54.8	-177.7	0	0	0	0	0	112.4	F440 K449 I451 N499	F440-A503 HydrophobicContact CD2-CB 3.84Å; F440-A503 HydrophobicContact CE2-CB 3.42Å; F440-A503 VanDerWaalsContact CE2-CB 3.42Å; F440-A503 HydrophobicContact CZ-CB 4.07Å; K449-A503 HydrophobicContact CB-CB 4.31Å; K449-A503 HydrophobicContact CD-CB 3.47Å; K449-A503 VanDerWaalsContact CD-CB 3.47Å; K449-A503 HydrophobicContact CG-CB 3.75Å; I451-A503 HydrophobicContact CD1-CB 3.88Å; I451-A503 WeakPolarHBondContact CD1-O 3.24Å; I451-A503 HydrophobicContact CG1-CB 3.98Å; I451-A503 VanDerWaalsContact CG1-O 3.27Å; I451-A503 WeakPolarHBondContact CG1-O 3.33Å; N499-A503 WeakPolarHBondContact O-CA 3.36Å; N499-A503 PolarHBondContact O-N 3.47Å
504	K	74.5	Confident	82.6	Confident	133 Å²	133	37.6 Å²	37.6	58%	0.578	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.3	178.3	-170.8	-177.2	174.4	-173.6	0	109.7	I498 N499 N502 E506	I498-K504 WeakPolarHBondContact CA-O 3.4Å; N499-K504 PolarHBondContact N-O 3.02Å; N499-K504 PolarHBondContact O-N 2.78Å; N502-K504 VanDerWaalsContact C-N 3.35Å; N502-K504 PolarHBondContact O-N 2.96Å; N502-K504 VanDerWaalsContact OD1-CB 3.23Å; N502-K504 WeakPolarHBondContact OD1-CB 2.94Å; N502-K504 PolarHBondContact OD1-N 2.71Å; N502-K504 VanDerWaalsContact OD1-N 3.14Å; K504-E506 PolarHBondContact O-N 3.03Å
505	V	80.2	Confident	82.7	Confident	28 Å²	28	37.3 Å²	37.3	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	108.4	166	-175.3	0	0	0	0	107	L456 A496 I498 V508	L456-V505 HydrophobicContact CD2-CG2 3.35Å; L456-V505 HydrophobicContact CG-CG2 4.07Å; A496-V505 HydrophobicContact CB-CG1 4.46Å; I498-V505 HydrophobicContact CG1-CG2 4.35Å; V505-V508 HydrophobicContact CG1-CG2 4.1Å
506	E	80.7	Confident	82.6	Confident	76 Å²	76	38.1 Å²	38.1	36%	0.355	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-33	-177.9	-69.9	-164.8	159	0	0	112.1	Y484 K497 N499 K504	Y484-E506 WeakPolarHBondContact CE1-OE2 3.23Å; K497-E506 PolarHBondContact O-N 3.26Å; N499-E506 HydrophobicContact CB-CG 3.76Å; N499-E506 WeakPolarHBondContact CB-OE1 3.5Å; N499-E506 PolarHBondContact ND2-OE1 2.04Å; K504-E506 PolarHBondContact O-N 3.03Å
507	Q	85.3	Confident	82.7	Confident	28 Å²	28	42.4 Å²	42.4	13%	0.131	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.4	-177.6	-167	-179	6	0	0	111	K497 L509 L554 H555	K497-Q507 HydrophobicContact CB-CB 4.11Å; K497-Q507 HydrophobicContact CD-CB 4.39Å; K497-Q507 PolarHBondContact N-O 3.45Å; K497-Q507 PolarHBondContact O-N 3.05Å; Q507-L509 VanDerWaalsContact CD-CD2 3.48Å; Q507-L509 HydrophobicContact CG-CD2 4.15Å; Q507-L554 HydrophobicContact CB-CD1 4.49Å; Q507-L554 HydrophobicContact CG-CD1 3.79Å; Q507-L554 VanDerWaalsContact NE2-CD1 3.32Å; Q507-H555 PolarHBondContact NE2-O 2.92Å
508	V	86.6	Confident	82.9	Confident	56 Å²	56	42.7 Å²	42.7	34%	0.339	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	108.5	168.7	178.3	0	0	0	0	107.6	P457 A494 V505 K510	P457-V508 HydrophobicContact CG-CG1 4.14Å; P457-V508 HydrophobicContact CG-CG2 3.93Å; A494-V508 HydrophobicContact CB-CG1 3.51Å; V505-V508 HydrophobicContact CG1-CG2 4.1Å; V508-K510 PolarHBondContact O-N 2.84Å
509	L	88.3	Confident	83.1	Confident	4 Å²	4	43 Å²	43	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	107	-178.5	-61.4	170.9	0	0	0	109.1	Y486 A494 V495 Q507 T511 V546 H555	Y486-L509 HydrophobicContact CD1-CD1 4.09Å; Y486-L509 HydrophobicContact CE1-CD1 3.74Å; A494-L509 CarbonylContact C-O 3.56Å; A494-L509 WeakPolarHBondContact CA-O 3Å; A494-L509 VanDerWaalsContact CB-O 3.24Å; A494-L509 WeakPolarHBondContact CB-O 2.99Å; V495-L509 HydrophobicContact CB-CB 4.46Å; V495-L509 PolarHBondContact N-O 3.07Å; V495-L509 WeakPolarHBondContact O-CB 3.22Å; V495-L509 PolarHBondContact O-N 3.28Å; Q507-L509 VanDerWaalsContact CD-CD2 3.48Å; Q507-L509 HydrophobicContact CG-CD2 4.15Å; L509-T511 PolarHBondContact O-N 3.41Å; L509-V546 HydrophobicContact CD1-CG2 3.86Å; L509-H555 HydrophobicContact CD2-CB 3.88Å; L509-H555 WeakPolarHBondContact CD2-O 3.48Å
510	K	86.6	Confident	83.6	Confident	179 Å²	179	44 Å²	44	78%	0.778	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.4	176.3	-66.7	-178.9	179.7	178.3	0	109.6	V508 L557	V508-K510 PolarHBondContact O-N 2.84Å; K510-L557 WeakPolarHBondContact O-CD1 3.46Å
511	T	85.6	Confident	84.1	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.067	21%	0.205	C	C	.	.			trans	-99.3	153.1	177.4	54.2	0	0	0	0	110.4	K493 A494 V495 L509 R513 P515 I529 E544 L557	K493-T511 WeakPolarHBondContact CA-OG1 3.48Å; K493-T511 PolarHBondContact O-N 2.9Å; K493-T511 PolarHBondContact O-OG1 2.89Å; K493-T511 VanDerWaalsContact O-OG1 3.07Å; A494-T511 PolarHBondContact N-OG1 3.23Å; V495-T511 HydrophobicContact CG2-CG2 4.07Å; L509-T511 PolarHBondContact O-N 3.41Å; T511-R513 WeakPolarHBondContact CB-O 3.48Å; T511-R513 PolarHBondContact O-N 3.07Å; T511-R513 PolarHBondContact OG1-O 2.99Å; T511-P515 HydrophobicContact CG2-CB 4.36Å; T511-P515 HydrophobicContact CG2-CG 4.3Å; T511-P515 WeakPolarHBondContact OG1-CD 3.5Å; T511-I529 HydrophobicContact CG2-CD1 4.43Å; T511-I529 HydrophobicContact CG2-CG2 4.09Å; T511-E544 VanDerWaalsContact CA-OE2 3.32Å; T511-E544 WeakPolarHBondContact CA-OE2 3.24Å; T511-E544 WeakPolarHBondContact CB-OE2 3.5Å; T511-E544 VanDerWaalsContact CG2-OE2 3.3Å; T511-E544 WeakPolarHBondContact CG2-OE2 3.43Å; T511-L557 HydrophobicContact CG2-CD1 4.4Å
512	S	79.2	Confident	84.7	Confident	46 Å²	46	47.8 Å²	47.8	32%	0.322	22%	0.223	S	C	.	.	S	Bend	trans	-66.3	-27.6	177.3	61.5	0	0	0	0	112.6	E544	S512-E544 WeakPolarHBondContact CB-OE1 3.31Å; S512-E544 PolarHBondContact N-OE1 3.41Å; S512-E544 PolarHBondContact N-OE2 3.48Å; S512-E544 PolarHBondContact OG-OE1 3.15Å
513	R	83.9	Confident	85.1	Confident	111 Å²	111	48.3 Å²	48.3	42%	0.419	22%	0.223	S	C	.	.	S	Bend	trans	-137.4	-177.6	-176.1	-61.6	-62.2	-178.8	-95.8	-0.6	110.9	T511 P515 I533 V542	T511-R513 WeakPolarHBondContact CB-O 3.48Å; T511-R513 PolarHBondContact O-N 3.07Å; T511-R513 PolarHBondContact OG1-O 2.99Å; R513-P515 VanDerWaalsContact O-CD 3.26Å; R513-P515 WeakPolarHBondContact O-CD 3.39Å; R513-I533 HydrophobicContact CG-CG1 4.17Å; R513-V542 HydrophobicContact CG-CG2 4.2Å
514	Q	86.3	Confident	85.7	Confident	38 Å²	38	50.2 Å²	50.2	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.5	-179.7	177.7	61.9	52.1	0	0	109.4	I492 T516 S531 T532	I492-Q514 PolarHBondContact O-NE2 3.25Å; I492-Q514 PolarHBondContact O-OE1 3.46Å; Q514-T516 WeakPolarHBondContact O-CG2 2.98Å; Q514-S531 CarbonylContact O-C 3.57Å; Q514-S531 WeakPolarHBondContact O-CA 3.42Å; Q514-S531 WeakPolarHBondContact O-CB 3.21Å; Q514-T532 PolarHBondContact O-N 3.42Å
515	P	90.5	Very high	86.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	142.5	179.4	29.1	-33.8	0	0	0	109.9	I488 V495 T511 R513 I529 E530 S531	I488-P515 HydrophobicContact CD1-CB 3.77Å; I488-P515 HydrophobicContact CD1-CG 4.42Å; I488-P515 HydrophobicContact CG1-CB 4Å; I488-P515 HydrophobicContact CG1-CG 4.19Å; I488-P515 HydrophobicContact CG2-CB 4.41Å; I488-P515 HydrophobicContact CG2-CG 3.96Å; I488-P515 WeakPolarHBondContact CG2-O 3.44Å; V495-P515 HydrophobicContact CG2-CB 4.06Å; V495-P515 HydrophobicContact CG2-CG 4.1Å; T511-P515 HydrophobicContact CG2-CB 4.36Å; T511-P515 HydrophobicContact CG2-CG 4.3Å; T511-P515 WeakPolarHBondContact OG1-CD 3.5Å; R513-P515 VanDerWaalsContact O-CD 3.26Å; R513-P515 WeakPolarHBondContact O-CD 3.39Å; P515-I529 HydrophobicContact CB-CG2 3.68Å; P515-E530 CarbonylContact C-O 3.57Å; P515-E530 WeakPolarHBondContact CA-O 3.41Å; P515-S531 WeakPolarHBondContact CA-OG 3.01Å
516	T	89.2	Confident	86.5	Confident	17 Å²	17	43.7 Å²	43.7	10%	0.104	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-32.6	-172.6	57.1	0	0	0	0	114.1	R474 Q514 E530 T532	R474-T516 VanDerWaalsContact CZ-CA 3.5Å; R474-T516 VanDerWaalsContact CZ-CB 3.41Å; R474-T516 PolarHBondContact NE-O 2.82Å; R474-T516 VanDerWaalsContact NE-O 3.08Å; R474-T516 VanDerWaalsContact NH2-CB 3.32Å; Q514-T516 WeakPolarHBondContact O-CG2 2.98Å; T516-E530 PolarHBondContact N-O 3.17Å; T516-E530 PolarHBondContact OG1-O 3.24Å; T516-T532 HydrophobicContact CG2-CG2 3.48Å; T516-T532 VanDerWaalsContact CG2-CG2 3.48Å; T516-T532 WeakPolarHBondContact CG2-OG1 3.39Å
517	K	91.1	Very high	87	Confident	90 Å²	90	40.1 Å²	40.1	39%	0.391	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.9	-176.3	-166.5	176.3	178.6	-160.5	0	110.7	D475 H519 E530	D475-K517 WeakPolarHBondContact OD2-CA 3.25Å; K517-H519 WeakPolarHBondContact CD-NE2 3.03Å; K517-H519 WeakPolarHBondContact CE-NE2 3.08Å; K517-H519 PolarHBondContact NZ-CE1 2.88Å; K517-H519 VanDerWaalsContact NZ-CE1 3.35Å; K517-H519 PolarHBondContact NZ-NE2 3.4Å; K517-E530 HydrophobicContact CB-CB 4.15Å; K517-E530 HydrophobicContact CB-CG 4.38Å; K517-E530 PolarHBondContact O-N 2.03Å
518	L	93	Very high	87.3	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.4	177.4	-59.2	178.4	0	0	0	111	D475 I477 Y486 I488 V495 L527 I529	D475-L518 PolarHBondContact OD2-N 3.36Å; I477-L518 HydrophobicContact CB-CB 4.28Å; I477-L518 HydrophobicContact CG2-CB 3.74Å; I477-L518 HydrophobicContact CG2-CD1 4.02Å; Y486-L518 WeakPolarHBondContact O-CD1 3.22Å; I488-L518 HydrophobicContact CD1-CD1 4.41Å; I488-L518 HydrophobicContact CD1-CD2 3.92Å; I488-L518 HydrophobicContact CD1-CG 3.76Å; I488-L518 HydrophobicContact CG1-CD1 4.04Å; I488-L518 HydrophobicContact CG1-CD2 4.03Å; I488-L518 HydrophobicContact CG1-CG 3.91Å; V495-L518 HydrophobicContact CG1-CD1 4.11Å; V495-L518 HydrophobicContact CG1-CD2 4.17Å; V495-L518 HydrophobicContact CG2-CD2 4.03Å; L518-L527 HydrophobicContact CB-CD1 4.23Å; L518-L527 HydrophobicContact CD2-CD1 4.39Å; L518-I529 HydrophobicContact CD2-CB 4.29Å; L518-I529 HydrophobicContact CD2-CG1 3.88Å; L518-I529 HydrophobicContact CD2-CG2 4.09Å
519	H	91.9	Very high	87.5	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.042	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.5	169.9	-67.5	-101.7	0	0	0	109.3	K517 L527 W528 E530 L574 D576	K517-H519 WeakPolarHBondContact CD-NE2 3.03Å; K517-H519 WeakPolarHBondContact CE-NE2 3.08Å; K517-H519 PolarHBondContact NZ-CE1 2.88Å; K517-H519 VanDerWaalsContact NZ-CE1 3.35Å; K517-H519 PolarHBondContact NZ-NE2 3.4Å; H519-L527 CarbonylContact O-C 3.57Å; H519-L527 WeakPolarHBondContact O-CA 3.35Å; H519-W528 HydrophobicContact CB-CB 4.09Å; H519-W528 PolarHBondContact N-O 3.25Å; H519-W528 PolarHBondContact O-N 3.32Å; H519-E530 IonicContact CD2-OE1 2.84Å; H519-E530 PolarHBondContact CD2-OE1 3.15Å; H519-E530 IonicContact NE2-OE1 3.62Å; H519-E530 PolarHBondContact NE2-OE1 3.32Å; H519-E530 VanDerWaalsContact NE2-OE1 3.12Å; H519-L574 HydrophobicContact CB-CD1 4.07Å; H519-D576 IonicContact CE1-OD1 2.69Å; H519-D576 IonicContact ND1-OD1 3.81Å; H519-D576 PolarHBondContact ND1-OD1 3.03Å
520	Y	91.3	Very high	87.5	Confident	20 Å²	20	37.1 Å²	37.1	8%	0.078	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.1	178	175	-105.5	0	0	0	109.7	I477 T479 Q480 W522 D525 A526 A549	I477-Y520 VanDerWaalsContact CD1-N 3.33Å; T479-Y520 HydrophobicContact CG2-CD2 4.43Å; T479-Y520 HydrophobicContact CG2-CE2 4.05Å; Q480-Y520 HydrophobicContact CB-CE1 3.91Å; Q480-Y520 PolarHBondContact N-OH 2.03Å; Q480-Y520 PolarHBondContact O-OH 3.33Å; Y520-W522 HydrophobicContact CD1-CB 4.23Å; Y520-W522 HydrophobicContact CE1-CB 3.62Å; Y520-W522 PolarHBondContact O-N 3.11Å; Y520-D525 PolarHBondContact OH-OD1 2.89Å; Y520-A526 WeakPolarHBondContact CA-O 3.18Å; Y520-A549 HydrophobicContact CD2-CB 4.28Å; Y520-A549 HydrophobicContact CE2-CB 4Å
521	L	89.2	Confident	87.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	95.8	-178.9	-54.1	-174.1	0	0	0	108.5	W523 E524 D525 A526 W528 P575 V598	L521-W523 VanDerWaalsContact C-N 3.26Å; L521-W523 HydrophobicContact CB-CZ2 4.3Å; L521-W523 HydrophobicContact CD2-CH2 4.05Å; L521-W523 HydrophobicContact CD2-CZ2 4.24Å; L521-W523 PolarHBondContact O-N 2.83Å; L521-E524 HydrophobicContact CB-CB 4.33Å; L521-E524 PolarHBondContact O-N 3.49Å; L521-E524 VanDerWaalsContact O-N 3.11Å; L521-D525 PolarHBondContact O-N 2.95Å; L521-A526 PolarHBondContact N-O 3.31Å; L521-A526 PolarHBondContact O-N 3.37Å; L521-W528 HydrophobicContact CD1-CZ2 4.26Å; L521-P575 HydrophobicContact CD2-CG 4.48Å; L521-P575 WeakPolarHBondContact CD2-O 3.42Å; L521-V598 HydrophobicContact CD1-CG1 3.14Å
522	W	82.1	Confident	87.1	Confident	110 Å²	110	29.7 Å²	29.7	42%	0.417	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.7	-168.2	63.5	-96.4	0	0	0	114.6	Q480 Y520	Q480-W522 HydrophobicContact CB-CB 3.87Å; Y520-W522 HydrophobicContact CD1-CB 4.23Å; Y520-W522 HydrophobicContact CE1-CB 3.62Å; Y520-W522 PolarHBondContact O-N 3.11Å
523	W	80.4	Confident	86.5	Confident	40 Å²	40	30.7 Å²	30.7	15%	0.152	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-22.4	177.8	62.1	86	0	0	0	113.6	L521 P575 E578 R579	L521-W523 VanDerWaalsContact C-N 3.26Å; L521-W523 HydrophobicContact CB-CZ2 4.3Å; L521-W523 HydrophobicContact CD2-CH2 4.05Å; L521-W523 HydrophobicContact CD2-CZ2 4.24Å; L521-W523 PolarHBondContact O-N 2.83Å; W523-P575 HydrophobicContact CH2-CB 3.84Å; W523-P575 HydrophobicContact CH2-CG 3.8Å; W523-P575 WeakPolarHBondContact CH2-O 3.37Å; W523-P575 HydrophobicContact CZ2-CB 4.08Å; W523-P575 HydrophobicContact CZ2-CG 3.58Å; W523-E578 WeakPolarHBondContact CH2-O 3.29Å; W523-E578 VanDerWaalsContact CZ3-O 3.28Å; W523-E578 WeakPolarHBondContact CZ3-O 3.48Å; W523-R579 HydrophobicContact CB-CG 4.33Å; W523-R579 HydrophobicContact CD2-CB 4.12Å; W523-R579 HydrophobicContact CD2-CG 4.11Å; W523-R579 HydrophobicContact CE3-CB 4.37Å; W523-R579 HydrophobicContact CG-CB 4.24Å; W523-R579 HydrophobicContact CG-CG 3.82Å
524	E	83.6	Confident	85.2	Confident	51 Å²	51	27.9 Å²	27.9	24%	0.238	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.2	171.1	-64.7	-55.5	140.6	0	0	112	L521 A526 V598 H599	L521-E524 HydrophobicContact CB-CB 4.33Å; L521-E524 PolarHBondContact O-N 3.49Å; L521-E524 VanDerWaalsContact O-N 3.11Å; E524-A526 HydrophobicContact CB-CB 3.97Å; E524-A526 PolarHBondContact O-N 3.43Å; E524-V598 HydrophobicContact CG-CG1 4.25Å; E524-H599 IonicContact OE1-ND1 3.94Å; E524-H599 IonicContact OE2-CE1 3.99Å; E524-H599 IonicContact OE2-CG 2.91Å; E524-H599 IonicContact OE2-ND1 3.81Å; E524-H599 PolarHBondContact OE2-ND1 3.25Å
525	D	84.1	Confident	83.6	Confident	18 Å²	18	30.6 Å²	30.6	10%	0.096	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	42.9	-170	-167.8	11.5	0	0	0	111.6	Y520 L521 Y548 A549 S550 K551	Y520-D525 PolarHBondContact OH-OD1 2.89Å; L521-D525 PolarHBondContact O-N 2.95Å; D525-Y548 CarbonylContact O-C 3.6Å; D525-Y548 WeakPolarHBondContact O-CA 3.01Å; D525-Y548 PolarHBondContact O-N 2.87Å; D525-Y548 WeakPolarHBondContact OD2-CA 3.33Å; D525-A549 PolarHBondContact O-N 2.77Å; D525-A549 PolarHBondContact OD1-N 3.06Å; D525-S550 WeakPolarHBondContact OD1-CA 3.29Å; D525-S550 WeakPolarHBondContact OD1-CB 3.45Å; D525-S550 PolarHBondContact OD1-N 3.11Å; D525-S550 PolarHBondContact OD1-OG 3.37Å; D525-S550 PolarHBondContact OD2-OG 3.46Å; D525-K551 WeakPolarHBondContact OD2-CE 3.43Å
526	A	87.7	Confident	81.7	Confident	6 Å²	6	34.6 Å²	34.6	5%	0.05	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.6	-171.8	0	0	0	0	0	111.7	Y520 L521 E524 I545 V546	Y520-A526 WeakPolarHBondContact CA-O 3.18Å; L521-A526 PolarHBondContact N-O 3.31Å; L521-A526 PolarHBondContact O-N 3.37Å; E524-A526 HydrophobicContact CB-CB 3.97Å; E524-A526 PolarHBondContact O-N 3.43Å; A526-I545 HydrophobicContact CB-CG2 4.38Å; A526-V546 CarbonylContact C-O 3.59Å; A526-V546 WeakPolarHBondContact CA-O 3.48Å
527	L	91.8	Very high	79.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	171	173.5	84.1	0	0	0	109.2	I477 Y486 L518 H519 I529 I545 V546 A549	I477-L527 HydrophobicContact CG2-CD1 3.49Å; I477-L527 VanDerWaalsContact CG2-CD1 3.49Å; Y486-L527 HydrophobicContact CD1-CD2 3.41Å; Y486-L527 VanDerWaalsContact CD1-CD2 3.41Å; Y486-L527 HydrophobicContact CD2-CD1 4.26Å; Y486-L527 HydrophobicContact CD2-CD2 4Å; Y486-L527 HydrophobicContact CE1-CD2 3.84Å; Y486-L527 HydrophobicContact CE2-CD2 4.39Å; Y486-L527 HydrophobicContact CG-CD1 4.18Å; Y486-L527 HydrophobicContact CG-CD2 3.48Å; Y486-L527 VanDerWaalsContact CG-CD2 3.48Å; Y486-L527 HydrophobicContact CG-CG 4.43Å; L518-L527 HydrophobicContact CB-CD1 4.23Å; L518-L527 HydrophobicContact CD2-CD1 4.39Å; H519-L527 CarbonylContact O-C 3.57Å; H519-L527 WeakPolarHBondContact O-CA 3.35Å; L527-I529 HydrophobicContact CD2-CD1 4.17Å; L527-I529 HydrophobicContact CD2-CG1 4.06Å; L527-I529 HydrophobicContact CG-CG1 4.18Å; L527-I545 WeakPolarHBondContact O-CA 3.06Å; L527-V546 HydrophobicContact CB-CB 4.16Å; L527-V546 HydrophobicContact CD2-CB 4.43Å; L527-V546 HydrophobicContact CD2-CG2 4.42Å; L527-V546 PolarHBondContact N-O 3.35Å; L527-V546 PolarHBondContact O-N 2.76Å; L527-A549 HydrophobicContact CB-CB 3.78Å
528	W	91.3	Very high	78.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.9	178.5	-66.4	61.1	0	0	0	108.4	H519 L521 L543 I545 L574 L596 V598 I601	H519-W528 HydrophobicContact CB-CB 4.09Å; H519-W528 PolarHBondContact N-O 3.25Å; H519-W528 PolarHBondContact O-N 3.32Å; L521-W528 HydrophobicContact CD1-CZ2 4.26Å; W528-L543 HydrophobicContact CB-CD1 4.31Å; W528-L543 HydrophobicContact CE3-CD1 3.94Å; W528-L543 HydrophobicContact CE3-CD2 3.35Å; W528-L543 HydrophobicContact CE3-CG 3.73Å; W528-L543 HydrophobicContact CZ3-CD2 3.33Å; W528-L543 HydrophobicContact CZ3-CG 4.15Å; W528-I545 HydrophobicContact CD2-CD1 3.88Å; W528-I545 HydrophobicContact CD2-CG1 3.76Å; W528-I545 HydrophobicContact CE3-CD1 3.78Å; W528-I545 HydrophobicContact CE3-CG1 3.93Å; W528-I545 HydrophobicContact CG-CG1 4.12Å; W528-I545 HydrophobicContact CH2-CD1 3.65Å; W528-I545 HydrophobicContact CZ2-CD1 3.75Å; W528-I545 HydrophobicContact CZ2-CG1 4.44Å; W528-I545 HydrophobicContact CZ3-CD1 3.68Å; W528-I545 HydrophobicContact CZ3-CG1 4.35Å; W528-L574 HydrophobicContact CB-CD1 4.12Å; W528-L574 HydrophobicContact CD2-CD1 3.9Å; W528-L574 HydrophobicContact CE3-CD1 3.7Å; W528-L574 HydrophobicContact CE3-CD2 4.14Å; W528-L574 HydrophobicContact CG-CD1 4.08Å; W528-L574 HydrophobicContact CH2-CD2 4.43Å; W528-L574 HydrophobicContact CZ3-CD1 4.42Å; W528-L574 HydrophobicContact CZ3-CD2 4.04Å; W528-L596 HydrophobicContact CH2-CD2 3.83Å; W528-L596 HydrophobicContact CZ3-CD2 3.72Å; W528-V598 HydrophobicContact CH2-CG1 4.48Å; W528-V598 HydrophobicContact CZ2-CG1 3.78Å; W528-V598 WeakPolarHBondContact CZ2-O 3.05Å; W528-I601 HydrophobicContact CH2-CG1 4.17Å; W528-I601 HydrophobicContact CH2-CG2 4.19Å; W528-I601 HydrophobicContact CZ2-CG1 4.24Å
529	I	90.5	Very high	76.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.3	-173.7	-54.4	167.6	0	0	0	107.5	V495 T511 P515 L518 L527 E544 V546 L557	V495-I529 HydrophobicContact CG2-CD1 3.96Å; V495-I529 HydrophobicContact CG2-CG1 4.32Å; V495-I529 HydrophobicContact CG2-CG2 3.94Å; T511-I529 HydrophobicContact CG2-CD1 4.43Å; T511-I529 HydrophobicContact CG2-CG2 4.09Å; P515-I529 HydrophobicContact CB-CG2 3.68Å; L518-I529 HydrophobicContact CD2-CB 4.29Å; L518-I529 HydrophobicContact CD2-CG1 3.88Å; L518-I529 HydrophobicContact CD2-CG2 4.09Å; L527-I529 HydrophobicContact CD2-CD1 4.17Å; L527-I529 HydrophobicContact CD2-CG1 4.06Å; L527-I529 HydrophobicContact CG-CG1 4.18Å; I529-E544 HydrophobicContact CB-CB 4.31Å; I529-E544 PolarHBondContact N-O 3.46Å; I529-E544 PolarHBondContact O-N 3.36Å; I529-V546 HydrophobicContact CD1-CG2 4.15Å; I529-L557 HydrophobicContact CD1-CD2 3.76Å
530	E	88.7	Confident	75.2	Confident	23 Å²	23	42.6 Å²	42.6	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.5	170.2	-60.8	-176.5	-170.7	0	0	108.8	P515 T516 K517 H519 V541 L543 I572	P515-E530 CarbonylContact C-O 3.57Å; P515-E530 WeakPolarHBondContact CA-O 3.41Å; T516-E530 PolarHBondContact N-O 3.17Å; T516-E530 PolarHBondContact OG1-O 3.24Å; K517-E530 HydrophobicContact CB-CB 4.15Å; K517-E530 HydrophobicContact CB-CG 4.38Å; K517-E530 PolarHBondContact O-N 2.03Å; H519-E530 IonicContact CD2-OE1 2.84Å; H519-E530 PolarHBondContact CD2-OE1 3.15Å; H519-E530 IonicContact NE2-OE1 3.62Å; H519-E530 PolarHBondContact NE2-OE1 3.32Å; H519-E530 VanDerWaalsContact NE2-OE1 3.12Å; E530-V541 HydrophobicContact CB-CG1 4Å; E530-V541 HydrophobicContact CG-CG1 4.4Å; E530-L543 HydrophobicContact CG-CD1 4.11Å; E530-I572 HydrophobicContact CG-CD1 3.95Å
531	S	84.8	Confident	74.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.4	176.6	-60.3	0	0	0	0	111.4	Q514 P515 V541 V542	Q514-S531 CarbonylContact O-C 3.57Å; Q514-S531 WeakPolarHBondContact O-CA 3.42Å; Q514-S531 WeakPolarHBondContact O-CB 3.21Å; P515-S531 WeakPolarHBondContact CA-OG 3.01Å; S531-V541 CarbonylContact O-C 3.53Å; S531-V541 WeakPolarHBondContact O-CA 3.43Å; S531-V542 PolarHBondContact N-O 3.43Å; S531-V542 PolarHBondContact O-N 3.11Å
532	T	78.5	Confident	73.8	Confident	35 Å²	35	44 Å²	44	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	152.5	-176.9	57.7	0	0	0	0	113.3	Q514 T516 V541	Q514-T532 PolarHBondContact O-N 3.42Å; T516-T532 HydrophobicContact CG2-CG2 3.48Å; T516-T532 VanDerWaalsContact CG2-CG2 3.48Å; T516-T532 WeakPolarHBondContact CG2-OG1 3.39Å; T532-V541 HydrophobicContact CG2-CG2 4.39Å
533	I	66.5	Low	73.7	Confident	66 Å²	66	38.8 Å²	38.8	34%	0.338	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.9	173.2	-63	166.1	0	0	0	109	R513 S540 V542	R513-I533 HydrophobicContact CG-CG1 4.17Å; I533-S540 WeakPolarHBondContact CB-OG 3.37Å; I533-S540 WeakPolarHBondContact CD1-OG 3.02Å; I533-S540 PolarHBondContact N-O 2.96Å; I533-V542 HydrophobicContact CD1-CG2 3.76Å; I533-V542 HydrophobicContact CG1-CG2 4.24Å
534	G	57.4	Low	74	Confident	52 Å²	52	37.1 Å²	37.1	54%	0.536	25%	0.246	S	C	.	.			trans	78.7	152.4	165.7	0	0	0	0	0	116.5
535	G	52.6	Low	74.1	Confident	95 Å²	95	34.8 Å²	34.8	98%	0.979	24%	0.235	S	C	*	.	S	Bend	trans	-94.6	13.3	178.2	0	0	0	0	0	114.6
536	S	49.4	Very low	74.3	Confident	85 Å²	85	33.9 Å²	33.9	59%	0.594	23%	0.231	S	C	*	.	S	Bend	trans	-100.1	163	177.8	53.3	0	0	0	0	111.1	E538	S536-E538 PolarHBondContact O-N 3.45Å
537	T	51	Low	73.9	Confident	133 Å²	133	34.9 Å²	34.9	82%	0.816	23%	0.234	S	C	*	.	S	Bend	trans	-54.4	-4.3	-170.9	47.8	0	0	0	0	117.4	R588	T537-R588 PolarHBondContact O-NH1 2.98Å
538	E	54.4	Low	73.5	Confident	105 Å²	105	36.8 Å²	36.8	49%	0.491	24%	0.241	S	C	.	.			trans	-119.7	65.2	177.2	-65.9	-163.1	166.2	0	0	112.4	S536 S540 K568	S536-E538 PolarHBondContact O-N 3.45Å; E538-S540 PolarHBondContact O-N 3.21Å; E538-K568 IonicContact OE2-NZ 2.61Å; E538-K568 PolarHBondContact OE2-NZ 3.04Å
539	S	58.3	Low	73.3	Confident	36 Å²	36	36.7 Å²	36.7	25%	0.252	24%	0.241	S	C	.	.			trans	-78.5	111.1	177.7	58.4	0	0	0	0	111.8
540	S	66.2	Low	73.1	Confident	17 Å²	17	37 Å²	37	12%	0.119	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	147.4	168.2	52.4	0	0	0	0	111.4	I533 E538	I533-S540 WeakPolarHBondContact CB-OG 3.37Å; I533-S540 WeakPolarHBondContact CD1-OG 3.02Å; I533-S540 PolarHBondContact N-O 2.96Å; E538-S540 PolarHBondContact O-N 3.21Å
541	V	72.9	Confident	72.7	Confident	21 Å²	21	39.7 Å²	39.7	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.2	-179.8	-174.3	0	0	0	0	110.9	E530 S531 T532 I569 I572	E530-V541 HydrophobicContact CB-CG1 4Å; E530-V541 HydrophobicContact CG-CG1 4.4Å; S531-V541 CarbonylContact O-C 3.53Å; S531-V541 WeakPolarHBondContact O-CA 3.43Å; T532-V541 HydrophobicContact CG2-CG2 4.39Å; V541-I569 HydrophobicContact CB-CB 4.41Å; V541-I569 HydrophobicContact CB-CG2 4.42Å; V541-I569 PolarHBondContact N-O 3.4Å; V541-I572 HydrophobicContact CG1-CD1 3.77Å
542	V	77.5	Confident	72.2	Confident	29 Å²	29	40.3 Å²	40.3	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136	167.9	179.3	0	0	0	0	107.8	R513 S531 I533 E544	R513-V542 HydrophobicContact CG-CG2 4.2Å; S531-V542 PolarHBondContact N-O 3.43Å; S531-V542 PolarHBondContact O-N 3.11Å; I533-V542 HydrophobicContact CD1-CG2 3.76Å; I533-V542 HydrophobicContact CG1-CG2 4.24Å; V542-E544 HydrophobicContact CG1-CG 4.3Å
543	L	80.8	Confident	72	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.1	-179.6	-167.1	59.5	0	0	0	110.1	W528 E530 T560 L561 I572	W528-L543 HydrophobicContact CB-CD1 4.31Å; W528-L543 HydrophobicContact CE3-CD1 3.94Å; W528-L543 HydrophobicContact CE3-CD2 3.35Å; W528-L543 HydrophobicContact CE3-CG 3.73Å; W528-L543 HydrophobicContact CZ3-CD2 3.33Å; W528-L543 HydrophobicContact CZ3-CG 4.15Å; E530-L543 HydrophobicContact CG-CD1 4.11Å; L543-T560 WeakPolarHBondContact O-CA 3.21Å; L543-L561 PolarHBondContact O-N 3.04Å; L543-I572 HydrophobicContact CD1-CD1 4.08Å; L543-I572 HydrophobicContact CD2-CD1 4.38Å
544	E	85.9	Confident	72.5	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.7	178.3	-60.8	179.7	136.9	0	0	109.7	T511 S512 I529 V542 L557 H559 T560	T511-E544 VanDerWaalsContact CA-OE2 3.32Å; T511-E544 WeakPolarHBondContact CA-OE2 3.24Å; T511-E544 WeakPolarHBondContact CB-OE2 3.5Å; T511-E544 VanDerWaalsContact CG2-OE2 3.3Å; T511-E544 WeakPolarHBondContact CG2-OE2 3.43Å; S512-E544 WeakPolarHBondContact CB-OE1 3.31Å; S512-E544 PolarHBondContact N-OE1 3.41Å; S512-E544 PolarHBondContact N-OE2 3.48Å; S512-E544 PolarHBondContact OG-OE1 3.15Å; I529-E544 HydrophobicContact CB-CB 4.31Å; I529-E544 PolarHBondContact N-O 3.46Å; I529-E544 PolarHBondContact O-N 3.36Å; V542-E544 HydrophobicContact CG1-CG 4.3Å; E544-L557 HydrophobicContact CB-CD1 4.31Å; E544-L557 HydrophobicContact CB-CD2 4.19Å; E544-L557 HydrophobicContact CG-CD1 4.43Å; E544-H559 WeakPolarHBondContact CA-O 3.13Å; E544-T560 HydrophobicContact CG-CG2 4.02Å
545	I	86	Confident	73.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.6	-172.9	-60.6	161.6	0	0	0	111	A526 L527 W528 T558 H559 I601	A526-I545 HydrophobicContact CB-CG2 4.38Å; L527-I545 WeakPolarHBondContact O-CA 3.06Å; W528-I545 HydrophobicContact CD2-CD1 3.88Å; W528-I545 HydrophobicContact CD2-CG1 3.76Å; W528-I545 HydrophobicContact CE3-CD1 3.78Å; W528-I545 HydrophobicContact CE3-CG1 3.93Å; W528-I545 HydrophobicContact CG-CG1 4.12Å; W528-I545 HydrophobicContact CH2-CD1 3.65Å; W528-I545 HydrophobicContact CZ2-CD1 3.75Å; W528-I545 HydrophobicContact CZ2-CG1 4.44Å; W528-I545 HydrophobicContact CZ3-CD1 3.68Å; W528-I545 HydrophobicContact CZ3-CG1 4.35Å; I545-T558 PolarHBondContact O-N 2.05Å; I545-H559 PolarHBondContact N-O 2.94Å; I545-H559 VanDerWaalsContact N-O 3.11Å; I545-I601 HydrophobicContact CD1-CB 4.24Å; I545-I601 HydrophobicContact CD1-CD1 3.42Å; I545-I601 VanDerWaalsContact CD1-CD1 3.42Å; I545-I601 HydrophobicContact CD1-CG1 3.66Å; I545-I601 HydrophobicContact CD1-CG2 3.47Å; I545-I601 VanDerWaalsContact CD1-CG2 3.47Å; I545-I601 HydrophobicContact CG2-CD1 4.38Å
546	V	87.6	Confident	74.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.8	169.7	172.9	0	0	0	0	108.3	L509 A526 L527 I529 A549 H555 L557	L509-V546 HydrophobicContact CD1-CG2 3.86Å; A526-V546 CarbonylContact C-O 3.59Å; A526-V546 WeakPolarHBondContact CA-O 3.48Å; L527-V546 HydrophobicContact CB-CB 4.16Å; L527-V546 HydrophobicContact CD2-CB 4.43Å; L527-V546 HydrophobicContact CD2-CG2 4.42Å; L527-V546 PolarHBondContact N-O 3.35Å; L527-V546 PolarHBondContact O-N 2.76Å; I529-V546 HydrophobicContact CD1-CG2 4.15Å; V546-A549 HydrophobicContact CG1-CB 4.23Å; V546-H555 HydrophobicContact CG1-CB 3.53Å; V546-H555 VanDerWaalsContact CG1-CG 3.43Å; V546-L557 HydrophobicContact CG2-CD2 3.64Å
547	K	80.8	Confident	75.3	Confident	26 Å²	26	32 Å²	32	11%	0.113	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	150.7	172.1	-69.6	-179.3	169.5	167.5	0	110.7	Y283 A549 H555 H559	Y283-K547 PolarHBondContact O-NZ 2.84Å; K547-A549 PolarHBondContact O-N 3.45Å; K547-H555 PolarHBondContact O-ND1 2.83Å; K547-H559 PolarHBondContact NZ-NE2 3.46Å
548	Y	81.5	Confident	75.7	Confident	40 Å²	40	26.8 Å²	26.8	16%	0.157	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	35.2	177.1	-47.2	-75.9	0	0	0	114.5	N284 P297 T299 D525 S550 K551 H555	N284-Y548 PolarHBondContact OD1-OH 3.31Å; P297-Y548 HydrophobicContact CG-CD2 4.36Å; P297-Y548 HydrophobicContact CG-CE2 4.45Å; T299-Y548 HydrophobicContact CG2-CD1 4.38Å; T299-Y548 HydrophobicContact CG2-CD2 3.28Å; T299-Y548 HydrophobicContact CG2-CE1 4.3Å; T299-Y548 HydrophobicContact CG2-CE2 3.17Å; T299-Y548 HydrophobicContact CG2-CG 3.89Å; D525-Y548 CarbonylContact O-C 3.6Å; D525-Y548 WeakPolarHBondContact O-CA 3.01Å; D525-Y548 PolarHBondContact O-N 2.87Å; D525-Y548 WeakPolarHBondContact OD2-CA 3.33Å; Y548-S550 PolarHBondContact O-N 3.05Å; Y548-K551 VanDerWaalsContact O-CB 3.32Å; Y548-K551 WeakPolarHBondContact O-CB 3.41Å; Y548-K551 WeakPolarHBondContact O-CG 3.42Å; Y548-K551 PolarHBondContact O-N 2.9Å; Y548-H555 PolarHBondContact O-CE1 3.4Å
549	A	88.8	Confident	75.9	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22	-167.6	0	0	0	0	0	114.3	T479 Y486 Y520 D525 L527 V546 K547	T479-A549 HydrophobicContact CG2-CB 4.43Å; Y486-A549 HydrophobicContact CE2-CB 3.87Å; Y486-A549 WeakPolarHBondContact CE2-O 3.35Å; Y486-A549 PolarHBondContact OH-O 2.68Å; Y520-A549 HydrophobicContact CD2-CB 4.28Å; Y520-A549 HydrophobicContact CE2-CB 4Å; D525-A549 PolarHBondContact O-N 2.77Å; D525-A549 PolarHBondContact OD1-N 3.06Å; L527-A549 HydrophobicContact CB-CB 3.78Å; V546-A549 HydrophobicContact CG1-CB 4.23Å; K547-A549 PolarHBondContact O-N 3.45Å
550	S	86.4	Confident	76	Confident	7 Å²	7	26 Å²	26	5%	0.049	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.1	175.1	80.2	0	0	0	0	114.7	Y484 D525 Y548	Y484-S550 WeakPolarHBondContact CE2-O 3.37Å; D525-S550 WeakPolarHBondContact OD1-CA 3.29Å; D525-S550 WeakPolarHBondContact OD1-CB 3.45Å; D525-S550 PolarHBondContact OD1-N 3.11Å; D525-S550 PolarHBondContact OD1-OG 3.37Å; D525-S550 PolarHBondContact OD2-OG 3.46Å; Y548-S550 PolarHBondContact O-N 3.05Å
551	K	79.4	Confident	75.8	Confident	80 Å²	80	26.3 Å²	26.3	35%	0.348	14%	0.141	S	C	.	.	S	Bend	trans	-87.7	150.1	-175	-55.5	-60	-179.7	176.3	0	112.4	Y484 K497 D525 Y548 I553	Y484-K551 WeakPolarHBondContact CE2-O 2.99Å; K497-K551 PolarHBondContact NZ-O 3.23Å; D525-K551 WeakPolarHBondContact OD2-CE 3.43Å; Y548-K551 VanDerWaalsContact O-CB 3.32Å; Y548-K551 WeakPolarHBondContact O-CB 3.41Å; Y548-K551 WeakPolarHBondContact O-CG 3.42Å; Y548-K551 PolarHBondContact O-N 2.9Å; K551-I553 HydrophobicContact CB-CD1 4.29Å; K551-I553 HydrophobicContact CB-CG1 4.12Å; K551-I553 HydrophobicContact CB-CG2 4.11Å; K551-I553 PolarHBondContact O-N 3.28Å
552	P	73.8	Confident	74.8	Confident	13 Å²	13	30.9 Å²	30.9	8%	0.084	17%	0.169	C	C	.	.	S	Bend	trans	-79.6	47.9	178.6	42.6	-46.5	0	0	0	113.2	E326 L329 A353 Y484	E326-P552 HydrophobicContact CB-CG 4.48Å; L329-P552 HydrophobicContact CB-CB 3.83Å; L329-P552 HydrophobicContact CD2-CB 4.31Å; A353-P552 HydrophobicContact CB-CB 4.23Å; A353-P552 HydrophobicContact CB-CG 3.42Å; A353-P552 VanDerWaalsContact CB-CG 3.42Å; Y484-P552 WeakPolarHBondContact OH-CA 3.28Å; Y484-P552 VanDerWaalsContact OH-CB 3.31Å; Y484-P552 WeakPolarHBondContact OH-CB 2.96Å
553	I	75	Confident	73.6	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.041	17%	0.167	C	C	.	.	S	Bend	trans	-115.2	159.1	-176.5	71.7	177.6	0	0	0	109.3	A248 T299 E326 K497 K551 H555	A248-I553 HydrophobicContact CB-CB 3.89Å; A248-I553 HydrophobicContact CB-CG2 3.41Å; A248-I553 VanDerWaalsContact CB-CG2 3.41Å; T299-I553 HydrophobicContact CG2-CD1 4.29Å; E326-I553 HydrophobicContact CB-CG2 4.31Å; E326-I553 HydrophobicContact CG-CG2 3.69Å; K497-I553 PolarHBondContact NZ-O 2.94Å; K551-I553 HydrophobicContact CB-CD1 4.29Å; K551-I553 HydrophobicContact CB-CG1 4.12Å; K551-I553 HydrophobicContact CB-CG2 4.11Å; K551-I553 PolarHBondContact O-N 3.28Å; I553-H555 WeakPolarHBondContact CG1-CE1 3.39Å; I553-H555 WeakPolarHBondContact CG1-ND1 3.25Å; I553-H555 PolarHBondContact O-N 2.71Å
554	L	76.7	Confident	72	Confident	77 Å²	77	33.8 Å²	33.8	40%	0.403	19%	0.189	S	C	.	.			trans	-79.4	111.2	175.1	-173.7	78.2	0	0	0	108.7	A248 G249 Q507	A248-L554 PolarHBondContact O-N 3.04Å; G249-L554 CarbonylContact C-O 3.48Å; G249-L554 WeakPolarHBondContact CA-O 3.33Å; Q507-L554 HydrophobicContact CB-CD1 4.49Å; Q507-L554 HydrophobicContact CG-CD1 3.79Å; Q507-L554 VanDerWaalsContact NE2-CD1 3.32Å
555	H	79.1	Confident	70.1	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.032	23%	0.233	C	C	.	.			trans	-82.4	135.2	-175.1	-59.6	-56.9	0	0	0	112.7	Y486 K497 Q507 L509 V546 K547 Y548 I553	Y486-H555 PolarHBondContact OH-CD2 2.04Å; Y486-H555 PolarHBondContact OH-NE2 3.39Å; K497-H555 PolarHBondContact NZ-CD2 3.16Å; K497-H555 VanDerWaalsContact NZ-CD2 3.3Å; K497-H555 PolarHBondContact NZ-NE2 3.31Å; Q507-H555 PolarHBondContact NE2-O 2.92Å; L509-H555 HydrophobicContact CD2-CB 3.88Å; L509-H555 WeakPolarHBondContact CD2-O 3.48Å; V546-H555 HydrophobicContact CG1-CB 3.53Å; V546-H555 VanDerWaalsContact CG1-CG 3.43Å; K547-H555 PolarHBondContact O-ND1 2.83Å; Y548-H555 PolarHBondContact O-CE1 3.4Å; I553-H555 WeakPolarHBondContact CG1-CE1 3.39Å; I553-H555 WeakPolarHBondContact CG1-ND1 3.25Å; I553-H555 PolarHBondContact O-N 2.71Å
556	G	69.6	Low	68.5	Low	17 Å²	17	49.8 Å²	49.8	18%	0.175	27%	0.268	C	S	.	.			trans	-88.3	157.8	155.9	0	0	0	0	0	110.9	T558	G556-T558 PolarHBondContact O-N 3.2Å
557	L	69.1	Low	66.9	Low	49 Å²	49	52 Å²	52	26%	0.257	28%	0.279	S	S	.	.			trans	-76.9	110.4	161.4	-67.1	-179.4	0	0	0	107.2	K510 T511 I529 E544 V546	K510-L557 WeakPolarHBondContact O-CD1 3.46Å; T511-L557 HydrophobicContact CG2-CD1 4.4Å; I529-L557 HydrophobicContact CD1-CD2 3.76Å; E544-L557 HydrophobicContact CB-CD1 4.31Å; E544-L557 HydrophobicContact CB-CD2 4.19Å; E544-L557 HydrophobicContact CG-CD1 4.43Å; V546-L557 HydrophobicContact CG2-CD2 3.64Å
558	T	60.7	Low	66.1	Low	24 Å²	24	54.8 Å²	54.8	15%	0.147	29%	0.292	C	S	.	.			trans	-86.3	-38.3	-167.4	-38.8	0	0	0	0	112.5	T296 P297 I545 G556	T296-T558 WeakPolarHBondContact O-CG2 3.24Å; P297-T558 VanDerWaalsContact CD-CG2 3.42Å; I545-T558 PolarHBondContact O-N 2.05Å; G556-T558 PolarHBondContact O-N 3.2Å
559	H	58.4	Low	65.7	Low	45 Å²	45	53.1 Å²	53.1	21%	0.208	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.8	-170.9	-58.2	-66.5	0	0	0	111.2	E286 E544 I545 K547 I601	E286-H559 IonicContact OE1-CE1 2.96Å; E544-H559 WeakPolarHBondContact CA-O 3.13Å; I545-H559 PolarHBondContact N-O 2.94Å; I545-H559 VanDerWaalsContact N-O 3.11Å; K547-H559 PolarHBondContact NZ-NE2 3.46Å; H559-I601 HydrophobicContact CB-CD1 4.08Å
560	T	61	Low	65.1	Low	80 Å²	80	55.1 Å²	55.1	49%	0.491	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.1	164.4	43.3	0	0	0	0	108.2	L543 E544 T562	L543-T560 WeakPolarHBondContact O-CA 3.21Å; E544-T560 HydrophobicContact CG-CG2 4.02Å; T560-T562 PolarHBondContact O-N 2.87Å; T560-T562 VanDerWaalsContact O-N 3.11Å
561	L	60.8	Low	64.9	Low	23 Å²	23	55.6 Å²	55.6	12%	0.12	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	97.1	169.8	-176.4	70.8	0	0	0	108.3	L543 L563 I585 L596 I601	L543-L561 PolarHBondContact O-N 3.04Å; L561-L563 HydrophobicContact CD1-CD2 4.49Å; L561-L563 HydrophobicContact CD2-CD2 4.31Å; L561-L563 HydrophobicContact CD2-CG 4.47Å; L561-L563 HydrophobicContact CG-CD2 4.36Å; L561-L563 PolarHBondContact O-N 2.78Å; L561-I585 HydrophobicContact CD2-CD1 3.84Å; L561-L596 HydrophobicContact CD1-CD1 4.47Å; L561-L596 HydrophobicContact CD2-CD1 3.93Å; L561-L596 HydrophobicContact CD2-CD2 4.4Å; L561-I601 HydrophobicContact CB-CG2 4.36Å; L561-I601 HydrophobicContact CD1-CG2 4.38Å
562	T	51.8	Low	65.1	Low	116 Å²	116	52.8 Å²	52.8	71%	0.712	29%	0.286	S	S	*	.			trans	-87.6	96.8	161.5	53.9	0	0	0	0	107.2	T560	T560-T562 PolarHBondContact O-N 2.87Å; T560-T562 VanDerWaalsContact O-N 3.11Å
563	L	52.1	Low	65.8	Low	25 Å²	25	52.9 Å²	52.9	13%	0.131	29%	0.286	C	S	.	.			trans	-55.9	143.2	148	-59.2	-177.4	0	0	0	106	L561 L567 I569 I585 V603	L561-L563 HydrophobicContact CD1-CD2 4.49Å; L561-L563 HydrophobicContact CD2-CD2 4.31Å; L561-L563 HydrophobicContact CD2-CG 4.47Å; L561-L563 HydrophobicContact CG-CD2 4.36Å; L561-L563 PolarHBondContact O-N 2.78Å; L563-L567 HydrophobicContact CB-CB 3.57Å; L563-L567 HydrophobicContact CB-CD1 4.22Å; L563-L567 HydrophobicContact CB-CD2 4.45Å; L563-L567 HydrophobicContact CB-CG 4.29Å; L563-L567 HydrophobicContact CD1-CD2 4.34Å; L563-I569 HydrophobicContact CB-CG1 4.49Å; L563-I569 HydrophobicContact CD1-CD1 3.83Å; L563-I569 HydrophobicContact CD1-CG1 3.49Å; L563-I569 VanDerWaalsContact CD1-CG1 3.49Å; L563-I569 HydrophobicContact CG-CD1 3.93Å; L563-I569 HydrophobicContact CG-CG1 4.05Å; L563-I585 HydrophobicContact CD1-CD1 3.57Å; L563-I585 HydrophobicContact CD1-CG1 4.05Å; L563-I585 HydrophobicContact CD2-CD1 3.73Å; L563-I585 HydrophobicContact CG-CD1 4.02Å; L563-V603 HydrophobicContact CD2-CG2 3.61Å
564	S	47.1	Very low	66.4	Low	66 Å²	66	52.9 Å²	52.9	46%	0.462	29%	0.286	S	S	.	.			trans	-36.7	155.3	-164.5	99	0	0	0	0	113.8	N566 L567	S564-N566 CarbonylContact O-C 3.54Å; S564-N566 PolarHBondContact O-N 3.47Å; S564-L567 PolarHBondContact O-N 2.9Å; S564-L567 WeakPolarHBondContact OG-CD1 3.39Å
565	E	47.4	Very low	66.6	Low	203 Å²	203	49.4 Å²	49.4	95%	0.949	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-13	-175.9	-64	-175.1	161.6	0	0	115.6
566	N	52.1	Low	66.1	Low	139 Å²	139	53.1 Å²	53.1	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-6.2	177.9	-57	-33.4	0	0	0	116.1	S564	S564-N566 CarbonylContact O-C 3.54Å; S564-N566 PolarHBondContact O-N 3.47Å
567	L	54.3	Low	66	Low	46 Å²	46	59.3 Å²	59.3	24%	0.241	32%	0.317	C	S	.	.			trans	-95.1	114.2	-178	-85.6	123.3	0	0	0	111.9	L563 S564 Q587 Y594	L563-L567 HydrophobicContact CB-CB 3.57Å; L563-L567 HydrophobicContact CB-CD1 4.22Å; L563-L567 HydrophobicContact CB-CD2 4.45Å; L563-L567 HydrophobicContact CB-CG 4.29Å; L563-L567 HydrophobicContact CD1-CD2 4.34Å; S564-L567 PolarHBondContact O-N 2.9Å; S564-L567 WeakPolarHBondContact OG-CD1 3.39Å; L567-Q587 VanDerWaalsContact CG-OE1 3.27Å; L567-Y594 HydrophobicContact CD2-CE2 3.98Å
568	K	64.1	Low	66.1	Low	86 Å²	86	61.3 Å²	61.3	37%	0.374	33%	0.325	S	S	.	.			trans	-89.9	104.7	172.6	-66.8	-174.5	-177.8	-174.6	0	109.3	E538 D570 Q587	E538-K568 IonicContact OE2-NZ 2.61Å; E538-K568 PolarHBondContact OE2-NZ 3.04Å; K568-D570 PolarHBondContact O-N 3.28Å; K568-Q587 WeakPolarHBondContact O-CA 3.44Å; K568-Q587 VanDerWaalsContact O-CB 3.3Å; K568-Q587 WeakPolarHBondContact O-CB 3.36Å; K568-Q587 WeakPolarHBondContact O-CG 3.1Å
569	I	72.4	Confident	66.8	Low	5 Å²	5	69.6 Å²	69.6	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.7	173.6	-56.6	173	0	0	0	108.7	V541 L563 I572	V541-I569 HydrophobicContact CB-CB 4.41Å; V541-I569 HydrophobicContact CB-CG2 4.42Å; V541-I569 PolarHBondContact N-O 3.4Å; L563-I569 HydrophobicContact CB-CG1 4.49Å; L563-I569 HydrophobicContact CD1-CD1 3.83Å; L563-I569 HydrophobicContact CD1-CG1 3.49Å; L563-I569 VanDerWaalsContact CD1-CG1 3.49Å; L563-I569 HydrophobicContact CG-CD1 3.93Å; L563-I569 HydrophobicContact CG-CG1 4.05Å; I569-I572 HydrophobicContact CG2-CD1 4.09Å; I569-I572 HydrophobicContact CG2-CG1 3.72Å
570	D	76.1	Confident	67.8	Low	42 Å²	42	69.4 Å²	69.4	23%	0.225	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-20.9	179.4	-77.2	-67.8	0	0	0	113.3	K568 G586 R588	K568-D570 PolarHBondContact O-N 3.28Å; D570-G586 PolarHBondContact N-O 3.17Å; D570-R588 HydrophobicContact CB-CB 4.45Å; D570-R588 HydrophobicContact CB-CG 3.8Å; D570-R588 VanDerWaalsContact OD1-CD 3.23Å; D570-R588 WeakPolarHBondContact OD1-CD 3.39Å; D570-R588 IonicContact OD1-CZ 3.36Å; D570-R588 IonicContact OD1-NE 2.89Å; D570-R588 PolarHBondContact OD1-NE 3.36Å; D570-R588 WeakPolarHBondContact OD2-CA 3.45Å; D570-R588 WeakPolarHBondContact OD2-CB 3.36Å; D570-R588 VanDerWaalsContact OD2-CD 3.22Å; D570-R588 WeakPolarHBondContact OD2-CD 3.48Å; D570-R588 WeakPolarHBondContact OD2-CG 3.02Å; D570-R588 PolarHBondContact OD2-N 3.06Å; D570-R588 IonicContact OD2-NE 2.91Å
571	L	81.8	Confident	68.6	Low	16 Å²	16	71.3 Å²	71.3	8%	0.084	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.5	179.9	175.7	59.6	0	0	0	109.6	I573 I585 G586 L593 P616	L571-I573 HydrophobicContact CD1-CD1 4.35Å; L571-I573 HydrophobicContact CD1-CG1 3.91Å; L571-I573 HydrophobicContact CD2-CD1 4.02Å; L571-I573 HydrophobicContact CD2-CG1 4.41Å; L571-I573 HydrophobicContact CG-CD1 4.15Å; L571-I573 HydrophobicContact CG-CG1 4.01Å; L571-I585 CarbonylContact O-C 3.52Å; L571-I585 WeakPolarHBondContact O-CA 3.03Å; L571-G586 PolarHBondContact N-O 2.96Å; L571-G586 PolarHBondContact O-N 3.19Å; L571-L593 HydrophobicContact CD2-CD2 3.89Å; L571-P616 HydrophobicContact CD2-CB 3.75Å; L571-P616 HydrophobicContact CD2-CG 4.22Å
572	I	84.5	Confident	69.8	Low	21 Å²	21	73.7 Å²	73.7	11%	0.108	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.1	174.2	-61.7	174.7	0	0	0	107.5	E530 V541 L543 I569 L574 I585	E530-I572 HydrophobicContact CG-CD1 3.95Å; V541-I572 HydrophobicContact CG1-CD1 3.77Å; L543-I572 HydrophobicContact CD1-CD1 4.08Å; L543-I572 HydrophobicContact CD2-CD1 4.38Å; I569-I572 HydrophobicContact CG2-CD1 4.09Å; I569-I572 HydrophobicContact CG2-CG1 3.72Å; I572-L574 HydrophobicContact CG2-CD1 3.99Å; I572-L574 HydrophobicContact CG2-CD2 4.49Å; I572-L574 HydrophobicContact CG2-CG 3.76Å; I572-I585 HydrophobicContact CG1-CG2 4.3Å
573	I	87.8	Confident	71.5	Confident	15 Å²	15	68.2 Å²	68.2	8%	0.077	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	94.7	-179.9	-55.5	167.2	0	0	0	106.8	L571 G583 Y584 L593 L621	L571-I573 HydrophobicContact CD1-CD1 4.35Å; L571-I573 HydrophobicContact CD1-CG1 3.91Å; L571-I573 HydrophobicContact CD2-CD1 4.02Å; L571-I573 HydrophobicContact CD2-CG1 4.41Å; L571-I573 HydrophobicContact CG-CD1 4.15Å; L571-I573 HydrophobicContact CG-CG1 4.01Å; I573-G583 CarbonylContact O-C 3.49Å; I573-G583 VanDerWaalsContact O-CA 3.24Å; I573-G583 WeakPolarHBondContact O-CA 3.07Å; I573-Y584 PolarHBondContact N-O 3.4Å; I573-Y584 PolarHBondContact O-N 2.8Å; I573-L593 HydrophobicContact CD1-CD2 4.49Å; I573-L621 HydrophobicContact CG2-CD1 4.15Å; I573-L621 HydrophobicContact CG2-CD2 4.24Å; I573-L621 HydrophobicContact CG2-CG 3.68Å
574	L	86.7	Confident	73.3	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.042	33%	0.328	C	S	.	.			trans	-100.5	151.5	176.2	-66.7	172.1	0	0	0	110.3	H519 W528 I572 D576	H519-L574 HydrophobicContact CB-CD1 4.07Å; W528-L574 HydrophobicContact CB-CD1 4.12Å; W528-L574 HydrophobicContact CD2-CD1 3.9Å; W528-L574 HydrophobicContact CE3-CD1 3.7Å; W528-L574 HydrophobicContact CE3-CD2 4.14Å; W528-L574 HydrophobicContact CG-CD1 4.08Å; W528-L574 HydrophobicContact CH2-CD2 4.43Å; W528-L574 HydrophobicContact CZ3-CD1 4.42Å; W528-L574 HydrophobicContact CZ3-CD2 4.04Å; I572-L574 HydrophobicContact CG2-CD1 3.99Å; I572-L574 HydrophobicContact CG2-CD2 4.49Å; I572-L574 HydrophobicContact CG2-CG 3.76Å; L574-D576 PolarHBondContact O-N 3.14Å
575	P	80.8	Confident	75.1	Confident	4 Å²	4	65 Å²	65	3%	0.026	31%	0.306	C	S	.	.			trans	-70.4	121.4	171.3	29.3	-35.4	0	0	0	110	L521 W523 M580 L621	L521-P575 HydrophobicContact CD2-CG 4.48Å; L521-P575 WeakPolarHBondContact CD2-O 3.42Å; W523-P575 HydrophobicContact CH2-CB 3.84Å; W523-P575 HydrophobicContact CH2-CG 3.8Å; W523-P575 WeakPolarHBondContact CH2-O 3.37Å; W523-P575 HydrophobicContact CZ2-CB 4.08Å; W523-P575 HydrophobicContact CZ2-CG 3.58Å; P575-M580 HydrophobicContact CB-CB 3.7Å; P575-M580 HydrophobicContact CB-CG 3.97Å; P575-M580 HydrophobicContact CB-SD 4.07Å; P575-M580 HydrophobicContact CG-CB 3.99Å; P575-L621 HydrophobicContact CB-CD1 3.94Å
576	D	69.2	Low	76.7	Confident	86 Å²	86	55.4 Å²	55.4	46%	0.46	26%	0.261	S	S	.	.	S	Bend	trans	-100.2	-29.3	-176.4	-68.1	-27.3	0	0	0	113.1	H519 L574	H519-D576 IonicContact CE1-OD1 2.69Å; H519-D576 IonicContact ND1-OD1 3.81Å; H519-D576 PolarHBondContact ND1-OD1 3.03Å; L574-D576 PolarHBondContact O-N 3.14Å
577	N	67.6	Low	77.9	Confident	147 Å²	147	50.5 Å²	50.5	79%	0.786	23%	0.233	S	C	*	.	S	Bend	trans	-120.3	-14.3	-169.1	-69.7	-23.5	0	0	0	115.3
578	E	70.6	Confident	78.7	Confident	91 Å²	91	53.5 Å²	53.5	43%	0.425	24%	0.241	S	C	.	.	S	Bend	trans	-137.2	149.1	-175.1	-72	-168.9	-151.2	0	0	111.7	W523 M580 S623	W523-E578 WeakPolarHBondContact CH2-O 3.29Å; W523-E578 VanDerWaalsContact CZ3-O 3.28Å; W523-E578 WeakPolarHBondContact CZ3-O 3.48Å; E578-M580 PolarHBondContact O-N 3.49Å; E578-S623 WeakPolarHBondContact OE1-CB 3.36Å; E578-S623 PolarHBondContact OE1-OG 3.44Å; E578-S623 WeakPolarHBondContact OE2-CB 3.15Å; E578-S623 PolarHBondContact OE2-OG 2.97Å
579	R	76.9	Confident	79.2	Confident	197 Å²	197	58.1 Å²	58.1	74%	0.743	26%	0.261	S	S	*	.			trans	-66.3	99.1	177.1	-176.3	177.4	-177.7	-179.3	3.2	109.9	W523	W523-R579 HydrophobicContact CB-CG 4.33Å; W523-R579 HydrophobicContact CD2-CB 4.12Å; W523-R579 HydrophobicContact CD2-CG 4.11Å; W523-R579 HydrophobicContact CE3-CB 4.37Å; W523-R579 HydrophobicContact CG-CB 4.24Å; W523-R579 HydrophobicContact CG-CG 3.82Å
580	M	77.9	Confident	79.5	Confident	42 Å²	42	59.5 Å²	59.5	21%	0.207	27%	0.268	C	S	.	.			trans	-118	139.3	171.1	-58.4	-173.3	169.7	0	0	109.8	P575 E578 Y582 L621	P575-M580 HydrophobicContact CB-CB 3.7Å; P575-M580 HydrophobicContact CB-CG 3.97Å; P575-M580 HydrophobicContact CB-SD 4.07Å; P575-M580 HydrophobicContact CG-CB 3.99Å; E578-M580 PolarHBondContact O-N 3.49Å; M580-Y582 VanDerWaalsContact C-N 3.3Å; M580-L621 HydrophobicContact CE-CB 4.46Å; M580-L621 HydrophobicContact SD-CB 4.03Å; M580-L621 HydrophobicContact SD-CD1 3.96Å; M580-L621 HydrophobicContact SD-CG 4.41Å
581	K	79.4	Confident	79.8	Confident	120 Å²	120	60.8 Å²	60.8	52%	0.522	27%	0.272	S	S	.	.	S	Bend	trans	-73.3	-25.2	178.9	-175.9	174	172.8	-167.4	0	112.6	D597 V598	K581-D597 WeakPolarHBondContact CE-OD2 3.35Å; K581-D597 IonicContact NZ-OD2 2.87Å; K581-V598 PolarHBondContact O-N 3.04Å
582	Y	86	Confident	79.8	Confident	73 Å²	73	60 Å²	60	29%	0.286	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.6	-170.3	-52.2	-69.6	0	0	0	112.2	M580 K595 L596 D597 V604	M580-Y582 VanDerWaalsContact C-N 3.3Å; Y582-K595 HydrophobicContact CD1-CD 4.43Å; Y582-K595 HydrophobicContact CD1-CG 4.15Å; Y582-K595 HydrophobicContact CG-CD 4.29Å; Y582-K595 HydrophobicContact CG-CG 4.12Å; Y582-L596 CarbonylContact C-O 3.54Å; Y582-L596 WeakPolarHBondContact CA-O 3.31Å; Y582-D597 HydrophobicContact CD1-CB 4.14Å; Y582-D597 HydrophobicContact CE1-CB 4.1Å; Y582-V604 HydrophobicContact CD1-CG2 3.91Å; Y582-V604 HydrophobicContact CE1-CG2 3.83Å
583	G	87.5	Confident	79.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-176.8	161.5	0	0	0	0	0	110.2	I573 L596	I573-G583 CarbonylContact O-C 3.49Å; I573-G583 VanDerWaalsContact O-CA 3.24Å; I573-G583 WeakPolarHBondContact O-CA 3.07Å; G583-L596 PolarHBondContact N-O 2.81Å; G583-L596 PolarHBondContact O-N 3.42Å
584	Y	88.5	Confident	79.6	Confident	25 Å²	25	60.7 Å²	60.7	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.2	176.6	-60.9	-91.9	0	0	0	111.4	I573 Y594 K595 I607 L621	I573-Y584 PolarHBondContact N-O 3.4Å; I573-Y584 PolarHBondContact O-N 2.8Å; Y584-Y594 CarbonylContact C-O 3.48Å; Y584-Y594 WeakPolarHBondContact CA-O 3.27Å; Y584-K595 HydrophobicContact CD1-CB 4.05Å; Y584-K595 HydrophobicContact CD1-CG 4.35Å; Y584-K595 HydrophobicContact CE1-CB 3.71Å; Y584-K595 HydrophobicContact CE1-CD 4.23Å; Y584-K595 HydrophobicContact CE1-CG 3.69Å; Y584-I607 HydrophobicContact CD1-CD1 3.8Å; Y584-I607 HydrophobicContact CE1-CD1 3.39Å; Y584-I607 HydrophobicContact CE1-CG1 4.44Å; Y584-L621 HydrophobicContact CD2-CD2 3.79Å; Y584-L621 HydrophobicContact CE2-CD2 3.69Å
585	I	85.4	Confident	79.5	Confident	0 Å²	0	62 Å²	62	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148	176.4	62.2	-163	0	0	0	109.7	L561 L563 L571 I572 L593 Y594 L596 V603	L561-I585 HydrophobicContact CD2-CD1 3.84Å; L563-I585 HydrophobicContact CD1-CD1 3.57Å; L563-I585 HydrophobicContact CD1-CG1 4.05Å; L563-I585 HydrophobicContact CD2-CD1 3.73Å; L563-I585 HydrophobicContact CG-CD1 4.02Å; L571-I585 CarbonylContact O-C 3.52Å; L571-I585 WeakPolarHBondContact O-CA 3.03Å; I572-I585 HydrophobicContact CG1-CG2 4.3Å; I585-L593 CarbonylContact O-C 3.39Å; I585-L593 WeakPolarHBondContact O-CA 3.1Å; I585-Y594 PolarHBondContact N-O 2.65Å; I585-Y594 PolarHBondContact O-N 3.45Å; I585-L596 HydrophobicContact CG2-CD2 4.32Å; I585-V603 HydrophobicContact CD1-CG2 3.86Å
586	G	81.3	Confident	79.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158	180	0	0	0	0	0	112.1	D570 L571	D570-G586 PolarHBondContact N-O 3.17Å; L571-G586 PolarHBondContact N-O 2.96Å; L571-G586 PolarHBondContact O-N 3.19Å
587	Q	77.5	Confident	80.1	Confident	36 Å²	36	58.4 Å²	58.4	17%	0.168	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.3	178.8	166.8	166	21.5	0	0	110.6	L567 K568 E590	L567-Q587 VanDerWaalsContact CG-OE1 3.27Å; K568-Q587 WeakPolarHBondContact O-CA 3.44Å; K568-Q587 VanDerWaalsContact O-CB 3.3Å; K568-Q587 WeakPolarHBondContact O-CB 3.36Å; K568-Q587 WeakPolarHBondContact O-CG 3.1Å; Q587-E590 HydrophobicContact CB-CB 4.28Å; Q587-E590 PolarHBondContact O-N 3.49Å
588	R	70.6	Confident	80.7	Confident	109 Å²	109	51.7 Å²	51.7	41%	0.411	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	140.5	170.4	-82.6	165.8	-168.8	-159.2	1.2	110.7	T537 D570 E590	T537-R588 PolarHBondContact O-NH1 2.98Å; D570-R588 HydrophobicContact CB-CB 4.45Å; D570-R588 HydrophobicContact CB-CG 3.8Å; D570-R588 VanDerWaalsContact OD1-CD 3.23Å; D570-R588 WeakPolarHBondContact OD1-CD 3.39Å; D570-R588 IonicContact OD1-CZ 3.36Å; D570-R588 IonicContact OD1-NE 2.89Å; D570-R588 PolarHBondContact OD1-NE 3.36Å; D570-R588 WeakPolarHBondContact OD2-CA 3.45Å; D570-R588 WeakPolarHBondContact OD2-CB 3.36Å; D570-R588 VanDerWaalsContact OD2-CD 3.22Å; D570-R588 WeakPolarHBondContact OD2-CD 3.48Å; D570-R588 WeakPolarHBondContact OD2-CG 3.02Å; D570-R588 PolarHBondContact OD2-N 3.06Å; D570-R588 IonicContact OD2-NE 2.91Å; R588-E590 PolarHBondContact O-N 2.83Å
589	K	74.6	Confident	81	Confident	183 Å²	183	51.1 Å²	51.1	80%	0.796	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	-4.2	-179.7	-50.9	173.5	178.9	173.5	0	114.5	S615	K589-S615 WeakPolarHBondContact CA-OG 3.48Å
590	E	77.8	Confident	80.6	Confident	34 Å²	34	42.4 Å²	42.4	16%	0.159	19%	0.185	C	C	.	.			trans	-91.1	137.7	169.2	-158.2	-178.3	165.6	0	0	110.3	Q587 R588 A592 Y594 R606 S615 P616	Q587-E590 HydrophobicContact CB-CB 4.28Å; Q587-E590 PolarHBondContact O-N 3.49Å; R588-E590 PolarHBondContact O-N 2.83Å; E590-A592 HydrophobicContact CG-CB 4.1Å; E590-A592 PolarHBondContact O-N 3.26Å; E590-Y594 VanDerWaalsContact CD-OH 3.3Å; E590-Y594 PolarHBondContact OE1-OH 3.16Å; E590-Y594 WeakPolarHBondContact OE2-CE2 3.2Å; E590-Y594 PolarHBondContact OE2-OH 2.56Å; E590-Y594 VanDerWaalsContact OE2-OH 3.05Å; E590-R606 IonicContact OE1-CZ 2.69Å; E590-R606 IonicContact OE1-NE 2.7Å; E590-R606 PolarHBondContact OE1-NE 2.86Å; E590-R606 IonicContact OE1-NH2 2.56Å; E590-R606 PolarHBondContact OE1-NH2 3.33Å; E590-S615 PolarHBondContact N-OG 2.62Å; E590-S615 WeakPolarHBondContact O-CA 3.04Å; E590-S615 VanDerWaalsContact O-CB 3.25Å; E590-S615 WeakPolarHBondContact O-CB 3.04Å; E590-S615 PolarHBondContact O-OG 3.1Å; E590-P616 WeakPolarHBondContact O-CD 3.21Å
591	K	83.4	Confident	80.4	Confident	70 Å²	70	41.2 Å²	41.2	30%	0.304	18%	0.18	S	C	.	.	S	Bend	trans	-93.9	57.9	174.4	-60.2	174.9	-173.2	170.8	0	108.4	L609 D613	K591-L609 HydrophobicContact CB-CB 4.34Å; K591-L609 CarbonylContact O-C 3.58Å; K591-L609 WeakPolarHBondContact O-CA 3.46Å; K591-L609 WeakPolarHBondContact O-CB 3.13Å; K591-L609 PolarHBondContact O-N 2.9Å; K591-D613 WeakPolarHBondContact CE-OD1 3.36Å; K591-D613 IonicContact NZ-OD1 2.78Å; K591-D613 PolarHBondContact NZ-OD1 2.89Å
592	A	82.4	Confident	79.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	161.8	179.6	0	0	0	0	0	113.7	E590 R606 I607 P616	E590-A592 HydrophobicContact CG-CB 4.1Å; E590-A592 PolarHBondContact O-N 3.26Å; A592-R606 HydrophobicContact CB-CG 4.05Å; A592-R606 VanDerWaalsContact CB-NE 3.33Å; A592-I607 CarbonylContact C-O 3.57Å; A592-I607 WeakPolarHBondContact CA-O 3.46Å; A592-I607 VanDerWaalsContact CB-O 3.24Å; A592-I607 WeakPolarHBondContact CB-O 3.33Å; A592-P616 WeakPolarHBondContact O-CG 3.33Å
593	L	84.6	Confident	79.3	Confident	14 Å²	14	37 Å²	37	7%	0.073	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.9	166.9	-70.2	169.1	0	0	0	109	I9 L571 I573 I585 R606 I607 L609 P616	I9-L593 HydrophobicContact CD1-CD1 4.11Å; L571-L593 HydrophobicContact CD2-CD2 3.89Å; I573-L593 HydrophobicContact CD1-CD2 4.49Å; I585-L593 CarbonylContact O-C 3.39Å; I585-L593 WeakPolarHBondContact O-CA 3.1Å; L593-R606 CarbonylContact O-C 3.49Å; L593-R606 WeakPolarHBondContact O-CA 3.17Å; L593-I607 HydrophobicContact CB-CB 4.31Å; L593-I607 HydrophobicContact CB-CD1 4.45Å; L593-I607 PolarHBondContact N-O 2.92Å; L593-I607 PolarHBondContact O-N 3.23Å; L593-L609 HydrophobicContact CG-CD1 4.39Å; L593-P616 HydrophobicContact CD2-CB 3.88Å; L593-P616 HydrophobicContact CD2-CG 3.56Å; L593-P616 HydrophobicContact CG-CB 4.22Å; L593-P616 HydrophobicContact CG-CG 3.92Å
594	Y	82.3	Confident	78.7	Confident	36 Å²	36	38.4 Å²	38.4	14%	0.141	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	175.1	-63	-88.8	0	0	0	109.6	L567 Y584 I585 E590 V603 N605 R606	L567-Y594 HydrophobicContact CD2-CE2 3.98Å; Y584-Y594 CarbonylContact C-O 3.48Å; Y584-Y594 WeakPolarHBondContact CA-O 3.27Å; I585-Y594 PolarHBondContact N-O 2.65Å; I585-Y594 PolarHBondContact O-N 3.45Å; E590-Y594 VanDerWaalsContact CD-OH 3.3Å; E590-Y594 PolarHBondContact OE1-OH 3.16Å; E590-Y594 WeakPolarHBondContact OE2-CE2 3.2Å; E590-Y594 PolarHBondContact OE2-OH 2.56Å; E590-Y594 VanDerWaalsContact OE2-OH 3.05Å; Y594-V603 HydrophobicContact CD1-CG1 3.95Å; Y594-V603 HydrophobicContact CG-CG1 4.38Å; Y594-N605 CarbonylContact C-O 3.44Å; Y594-N605 WeakPolarHBondContact CA-O 3Å; Y594-R606 HydrophobicContact CD1-CB 4.02Å; Y594-R606 HydrophobicContact CD1-CG 3.93Å; Y594-R606 HydrophobicContact CE1-CB 4.3Å; Y594-R606 HydrophobicContact CE1-CG 3.91Å
595	K	84.6	Confident	78.1	Confident	36 Å²	36	38.9 Å²	38.9	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.5	176.4	-170.3	174.6	-174.4	170	0	108.8	Y582 Y584 V603 V604 N605	Y582-K595 HydrophobicContact CD1-CD 4.43Å; Y582-K595 HydrophobicContact CD1-CG 4.15Å; Y582-K595 HydrophobicContact CG-CD 4.29Å; Y582-K595 HydrophobicContact CG-CG 4.12Å; Y584-K595 HydrophobicContact CD1-CB 4.05Å; Y584-K595 HydrophobicContact CD1-CG 4.35Å; Y584-K595 HydrophobicContact CE1-CB 3.71Å; Y584-K595 HydrophobicContact CE1-CD 4.23Å; Y584-K595 HydrophobicContact CE1-CG 3.69Å; K595-V603 CarbonylContact O-C 3.47Å; K595-V603 WeakPolarHBondContact O-CA 3.44Å; K595-V604 HydrophobicContact CB-CG2 4.15Å; K595-V604 HydrophobicContact CD-CG2 4.13Å; K595-V604 HydrophobicContact CG-CG2 3.84Å; K595-V604 WeakPolarHBondContact O-CG2 3.28Å; K595-V604 PolarHBondContact O-N 3.23Å; K595-N605 HydrophobicContact CB-CB 3.8Å; K595-N605 HydrophobicContact CD-CB 3.96Å; K595-N605 HydrophobicContact CG-CB 4.47Å; K595-N605 PolarHBondContact N-O 2.05Å; K595-N605 PolarHBondContact O-N 3.16Å
596	L	82.4	Confident	77.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.7	-179.3	-178.9	70	0	0	0	109.2	W528 L561 Y582 G583 I585 V598	W528-L596 HydrophobicContact CH2-CD2 3.83Å; W528-L596 HydrophobicContact CZ3-CD2 3.72Å; L561-L596 HydrophobicContact CD1-CD1 4.47Å; L561-L596 HydrophobicContact CD2-CD1 3.93Å; L561-L596 HydrophobicContact CD2-CD2 4.4Å; Y582-L596 CarbonylContact C-O 3.54Å; Y582-L596 WeakPolarHBondContact CA-O 3.31Å; G583-L596 PolarHBondContact N-O 2.81Å; G583-L596 PolarHBondContact O-N 3.42Å; I585-L596 HydrophobicContact CG2-CD2 4.32Å; L596-V598 PolarHBondContact O-N 2.72Å
597	D	79.9	Confident	77.7	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.4	164.3	-176.6	-45	0	0	0	108.3	K581 Y582 H599 S600 I601 T602 V604	K581-D597 WeakPolarHBondContact CE-OD2 3.35Å; K581-D597 IonicContact NZ-OD2 2.87Å; Y582-D597 HydrophobicContact CD1-CB 4.14Å; Y582-D597 HydrophobicContact CE1-CB 4.1Å; D597-H599 VanDerWaalsContact C-N 3.31Å; D597-H599 PolarHBondContact O-N 3.32Å; D597-H599 WeakPolarHBondContact OD1-CB 3.46Å; D597-H599 PolarHBondContact OD1-N 2.95Å; D597-S600 VanDerWaalsContact CB-OG 3.25Å; D597-S600 WeakPolarHBondContact CB-OG 3.46Å; D597-S600 VanDerWaalsContact CG-OG 3.31Å; D597-S600 PolarHBondContact OD1-N 3.34Å; D597-S600 VanDerWaalsContact OD1-N 3.12Å; D597-S600 PolarHBondContact OD1-OG 2.83Å; D597-I601 WeakPolarHBondContact O-CA 3.15Å; D597-I601 PolarHBondContact O-N 3.32Å; D597-T602 PolarHBondContact N-O 3.36Å; D597-T602 PolarHBondContact O-N 3.45Å; D597-V604 HydrophobicContact CB-CG1 3.63Å; D597-V604 HydrophobicContact CB-CG2 4.4Å
598	V	80.9	Confident	77.9	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.03	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-30.5	-171.1	174.4	0	0	0	0	111.5	L521 E524 W528 K581 L596	L521-V598 HydrophobicContact CD1-CG1 3.14Å; E524-V598 HydrophobicContact CG-CG1 4.25Å; W528-V598 HydrophobicContact CH2-CG1 4.48Å; W528-V598 HydrophobicContact CZ2-CG1 3.78Å; W528-V598 WeakPolarHBondContact CZ2-O 3.05Å; K581-V598 PolarHBondContact O-N 3.04Å; L596-V598 PolarHBondContact O-N 2.72Å
599	H	76.5	Confident	78.3	Confident	79 Å²	79	37.7 Å²	37.7	37%	0.366	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-47.2	-177.9	-179.2	77.2	0	0	0	111.1	Y283 E524 D597	Y283-H599 AromaticContact CD2-CD2 3.35Å; Y283-H599 WeakPolarHBondContact CD2-CD2 3.15Å; Y283-H599 AromaticContact CD2-NE2 3.22Å; Y283-H599 WeakPolarHBondContact CD2-NE2 3.24Å; Y283-H599 AromaticContact CE2-CD2 3.48Å; Y283-H599 VanDerWaalsContact CE2-CD2 3.48Å; Y283-H599 WeakPolarHBondContact CE2-CD2 3.22Å; Y283-H599 AromaticContact CE2-NE2 3.79Å; Y283-H599 AromaticContact CG-NE2 3.98Å; E524-H599 IonicContact OE1-ND1 3.94Å; E524-H599 IonicContact OE2-CE1 3.99Å; E524-H599 IonicContact OE2-CG 2.91Å; E524-H599 IonicContact OE2-ND1 3.81Å; E524-H599 PolarHBondContact OE2-ND1 3.25Å; D597-H599 VanDerWaalsContact C-N 3.31Å; D597-H599 PolarHBondContact O-N 3.32Å; D597-H599 WeakPolarHBondContact OD1-CB 3.46Å; D597-H599 PolarHBondContact OD1-N 2.95Å
600	S	69	Low	78.6	Confident	14 Å²	14	33 Å²	33	10%	0.098	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.5	179	65.5	0	0	0	0	113.6	Y283 D597 T602	Y283-S600 VanDerWaalsContact CZ-CB 3.41Å; Y283-S600 WeakPolarHBondContact OH-CB 3.14Å; D597-S600 VanDerWaalsContact CB-OG 3.25Å; D597-S600 WeakPolarHBondContact CB-OG 3.46Å; D597-S600 VanDerWaalsContact CG-OG 3.31Å; D597-S600 PolarHBondContact OD1-N 3.34Å; D597-S600 VanDerWaalsContact OD1-N 3.12Å; D597-S600 PolarHBondContact OD1-OG 2.83Å; S600-T602 VanDerWaalsContact C-N 3.26Å; S600-T602 PolarHBondContact O-N 3.26Å; S600-T602 PolarHBondContact OG-N 3.32Å; S600-T602 PolarHBondContact OG-OG1 2.92Å
601	I	74	Confident	78.5	Confident	17 Å²	17	35.7 Å²	35.7	9%	0.087	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	40.6	-174.4	-45.5	156.4	0	0	0	110	W528 I545 H559 L561 D597	W528-I601 HydrophobicContact CH2-CG1 4.17Å; W528-I601 HydrophobicContact CH2-CG2 4.19Å; W528-I601 HydrophobicContact CZ2-CG1 4.24Å; I545-I601 HydrophobicContact CD1-CB 4.24Å; I545-I601 HydrophobicContact CD1-CD1 3.42Å; I545-I601 VanDerWaalsContact CD1-CD1 3.42Å; I545-I601 HydrophobicContact CD1-CG1 3.66Å; I545-I601 HydrophobicContact CD1-CG2 3.47Å; I545-I601 VanDerWaalsContact CD1-CG2 3.47Å; I545-I601 HydrophobicContact CG2-CD1 4.38Å; H559-I601 HydrophobicContact CB-CD1 4.08Å; L561-I601 HydrophobicContact CB-CG2 4.36Å; L561-I601 HydrophobicContact CD1-CG2 4.38Å; D597-I601 WeakPolarHBondContact O-CA 3.15Å; D597-I601 PolarHBondContact O-N 3.32Å
602	T	68.8	Low	78.2	Confident	67 Å²	67	35.9 Å²	35.9	41%	0.411	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.2	179.5	60.1	0	0	0	0	111.2	D597 S600 V604	D597-T602 PolarHBondContact N-O 3.36Å; D597-T602 PolarHBondContact O-N 3.45Å; S600-T602 VanDerWaalsContact C-N 3.26Å; S600-T602 PolarHBondContact O-N 3.26Å; S600-T602 PolarHBondContact OG-N 3.32Å; S600-T602 PolarHBondContact OG-OG1 2.92Å; T602-V604 PolarHBondContact O-N 2.93Å
603	V	73.5	Confident	78	Confident	37 Å²	37	41.3 Å²	41.3	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.7	170.1	176.2	0	0	0	0	108.7	L563 I585 Y594 K595	L563-V603 HydrophobicContact CD2-CG2 3.61Å; I585-V603 HydrophobicContact CD1-CG2 3.86Å; Y594-V603 HydrophobicContact CD1-CG1 3.95Å; Y594-V603 HydrophobicContact CG-CG1 4.38Å; K595-V603 CarbonylContact O-C 3.47Å; K595-V603 WeakPolarHBondContact O-CA 3.44Å
604	V	74.6	Confident	77.4	Confident	31 Å²	31	41.4 Å²	41.4	19%	0.188	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-18.3	-177	-66.2	0	0	0	0	113.3	Y582 K595 D597 T602	Y582-V604 HydrophobicContact CD1-CG2 3.91Å; Y582-V604 HydrophobicContact CE1-CG2 3.83Å; K595-V604 HydrophobicContact CB-CG2 4.15Å; K595-V604 HydrophobicContact CD-CG2 4.13Å; K595-V604 HydrophobicContact CG-CG2 3.84Å; K595-V604 WeakPolarHBondContact O-CG2 3.28Å; K595-V604 PolarHBondContact O-N 3.23Å; D597-V604 HydrophobicContact CB-CG1 3.63Å; D597-V604 HydrophobicContact CB-CG2 4.4Å; T602-V604 PolarHBondContact O-N 2.93Å
605	N	76.3	Confident	77.3	Confident	34 Å²	34	42.2 Å²	42.2	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	173	179.5	-151.9	-20.3	0	0	0	111.2	Y594 K595	Y594-N605 CarbonylContact C-O 3.44Å; Y594-N605 WeakPolarHBondContact CA-O 3Å; K595-N605 HydrophobicContact CB-CB 3.8Å; K595-N605 HydrophobicContact CD-CB 3.96Å; K595-N605 HydrophobicContact CG-CB 4.47Å; K595-N605 PolarHBondContact N-O 2.05Å; K595-N605 PolarHBondContact O-N 3.16Å
606	R	77.6	Confident	77.1	Confident	49 Å²	49	41.6 Å²	41.6	19%	0.185	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.7	176	-177.3	-179.3	179.3	-90.6	9	110.2	F17 L21 E590 A592 L593 Y594	F17-R606 VanDerWaalsContact CE1-O 3.27Å; F17-R606 WeakPolarHBondContact CE1-O 3.34Å; F17-R606 WeakPolarHBondContact CZ-O 3.46Å; L21-R606 HydrophobicContact CD1-CB 4.21Å; E590-R606 IonicContact OE1-CZ 2.69Å; E590-R606 IonicContact OE1-NE 2.7Å; E590-R606 PolarHBondContact OE1-NE 2.86Å; E590-R606 IonicContact OE1-NH2 2.56Å; E590-R606 PolarHBondContact OE1-NH2 3.33Å; A592-R606 HydrophobicContact CB-CG 4.05Å; A592-R606 VanDerWaalsContact CB-NE 3.33Å; L593-R606 CarbonylContact O-C 3.49Å; L593-R606 WeakPolarHBondContact O-CA 3.17Å; Y594-R606 HydrophobicContact CD1-CB 4.02Å; Y594-R606 HydrophobicContact CD1-CG 3.93Å; Y594-R606 HydrophobicContact CE1-CB 4.3Å; Y594-R606 HydrophobicContact CE1-CG 3.91Å
607	I	80.7	Confident	76.9	Confident	34 Å²	34	49.5 Å²	49.5	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118	170.9	-60.3	160.9	0	0	0	107.5	I9 Y584 A592 L593 L609	I9-I607 HydrophobicContact CD1-CG2 4.26Å; I9-I607 HydrophobicContact CG2-CD1 4.13Å; I9-I607 HydrophobicContact CG2-CG2 4.25Å; Y584-I607 HydrophobicContact CD1-CD1 3.8Å; Y584-I607 HydrophobicContact CE1-CD1 3.39Å; Y584-I607 HydrophobicContact CE1-CG1 4.44Å; A592-I607 CarbonylContact C-O 3.57Å; A592-I607 WeakPolarHBondContact CA-O 3.46Å; A592-I607 VanDerWaalsContact CB-O 3.24Å; A592-I607 WeakPolarHBondContact CB-O 3.33Å; L593-I607 HydrophobicContact CB-CB 4.31Å; L593-I607 HydrophobicContact CB-CD1 4.45Å; L593-I607 PolarHBondContact N-O 2.92Å; L593-I607 PolarHBondContact O-N 3.23Å; I607-L609 HydrophobicContact CG2-CD2 4.07Å
608	S	81	Confident	77	Confident	26 Å²	26	53.6 Å²	53.6	18%	0.182	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129	174.2	-172.8	0	0	0	0	109.9	T610	S608-T610 PolarHBondContact OG-OG1 3.09Å; S608-T610 VanDerWaalsContact OG-OG1 3.04Å
609	L	80.4	Confident	76.9	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.063	32%	0.321	C	S	.	.			trans	-107.7	13.6	172.1	-54.1	178.1	0	0	0	111.9	I9 K591 L593 I607 S611 F612 D613 P616	I9-L609 HydrophobicContact CD1-CD2 3.86Å; K591-L609 HydrophobicContact CB-CB 4.34Å; K591-L609 CarbonylContact O-C 3.58Å; K591-L609 WeakPolarHBondContact O-CA 3.46Å; K591-L609 WeakPolarHBondContact O-CB 3.13Å; K591-L609 PolarHBondContact O-N 2.9Å; L593-L609 HydrophobicContact CG-CD1 4.39Å; I607-L609 HydrophobicContact CG2-CD2 4.07Å; L609-S611 PolarHBondContact O-N 3.11Å; L609-F612 HydrophobicContact CB-CD2 4.24Å; L609-F612 HydrophobicContact CD2-CD2 4.03Å; L609-F612 HydrophobicContact CD2-CE2 4.3Å; L609-F612 PolarHBondContact O-N 3.13Å; L609-D613 PolarHBondContact O-N 3.44Å; L609-P616 HydrophobicContact CD1-CB 3.96Å; L609-P616 HydrophobicContact CD1-CG 3.91Å
610	T	79.7	Confident	77.1	Confident	84 Å²	84	55.4 Å²	55.4	52%	0.515	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.6	-36.7	-177.4	-50.9	0	0	0	0	112.1	S608 F612 D613	S608-T610 PolarHBondContact OG-OG1 3.09Å; S608-T610 VanDerWaalsContact OG-OG1 3.04Å; T610-F612 PolarHBondContact O-N 2.69Å; T610-D613 PolarHBondContact O-N 2.7Å
611	S	75.4	Confident	77.6	Confident	91 Å²	91	57.3 Å²	57.3	64%	0.636	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-62.2	-25.3	175.6	52.1	0	0	0	0	113.6	L609	L609-S611 PolarHBondContact O-N 3.11Å
612	F	77.5	Confident	77.6	Confident	73 Å²	73	62.9 Å²	62.9	32%	0.32	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-93.3	-11.6	179.4	-58	-74.8	0	0	0	113.4	I7 L609 T610 C614	I7-F612 HydrophobicContact CD1-CB 3.96Å; I7-F612 HydrophobicContact CD1-CD1 3.38Å; I7-F612 HydrophobicContact CD1-CD2 4.09Å; I7-F612 HydrophobicContact CD1-CE1 3.82Å; I7-F612 HydrophobicContact CD1-CE2 4.48Å; I7-F612 HydrophobicContact CD1-CG 3.53Å; I7-F612 HydrophobicContact CD1-CZ 4.36Å; I7-F612 HydrophobicContact CG1-CD1 4.13Å; I7-F612 HydrophobicContact CG1-CE1 4.15Å; I7-F612 HydrophobicContact CG2-CE1 4.24Å; I7-F612 HydrophobicContact CG2-CZ 4.05Å; L609-F612 HydrophobicContact CB-CD2 4.24Å; L609-F612 HydrophobicContact CD2-CD2 4.03Å; L609-F612 HydrophobicContact CD2-CE2 4.3Å; L609-F612 PolarHBondContact O-N 3.13Å; T610-F612 PolarHBondContact O-N 2.69Å; F612-C614 PolarHBondContact O-N 3.22Å; F612-C614 VanDerWaalsContact O-N 3.16Å; F612-C614 PolarHBondContact O-SG 3.28Å
613	D	77.4	Confident	77.4	Confident	114 Å²	114	61.8 Å²	61.8	61%	0.61	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	24	-178.4	-160.1	34.9	0	0	0	114.2	K591 L609 T610	K591-D613 WeakPolarHBondContact CE-OD1 3.36Å; K591-D613 IonicContact NZ-OD1 2.78Å; K591-D613 PolarHBondContact NZ-OD1 2.89Å; L609-D613 PolarHBondContact O-N 3.44Å; T610-D613 PolarHBondContact O-N 2.7Å
614	C	73.7	Confident	76.7	Confident	17 Å²	17	64.7 Å²	64.7	12%	0.115	39%	0.391	C	S	.	.			trans	-126.1	142.7	-175.9	-57.6	0	0	0	0	111.3	C4 F612	C4-C614 WeakPolarHBondContact CA-SG 3.27Å; C4-C614 HydrophobicContact CB-CB 4.22Å; C4-C614 WeakPolarHBondContact CB-SG 3.32Å; C4-C614 WeakPolarHBondContact SG-CB 3.03Å; C4-C614 CovalentContact SG-SG 2.05Å; C4-C614 PolarHBondContact SG-SG 3.19Å; F612-C614 PolarHBondContact O-N 3.22Å; F612-C614 VanDerWaalsContact O-N 3.16Å; F612-C614 PolarHBondContact O-SG 3.28Å
615	S	78.5	Confident	75.5	Confident	52 Å²	52	66.8 Å²	66.8	36%	0.364	42%	0.419	S	S	.	.			trans	-90.4	136.5	167	-71.4	0	0	0	0	110.2	K589 E590 H617	K589-S615 WeakPolarHBondContact CA-OG 3.48Å; E590-S615 PolarHBondContact N-OG 2.62Å; E590-S615 WeakPolarHBondContact O-CA 3.04Å; E590-S615 VanDerWaalsContact O-CB 3.25Å; E590-S615 WeakPolarHBondContact O-CB 3.04Å; E590-S615 PolarHBondContact O-OG 3.1Å; S615-H617 PolarHBondContact O-N 2.96Å
616	P	80.3	Confident	73.7	Confident	23 Å²	23	78 Å²	78	15%	0.149	47%	0.466	C	S	.	.			trans	-74.5	128.2	-177.3	31.8	-31.3	0	0	0	110.1	L571 E590 A592 L593 L609	L571-P616 HydrophobicContact CD2-CB 3.75Å; L571-P616 HydrophobicContact CD2-CG 4.22Å; E590-P616 WeakPolarHBondContact O-CD 3.21Å; A592-P616 WeakPolarHBondContact O-CG 3.33Å; L593-P616 HydrophobicContact CD2-CB 3.88Å; L593-P616 HydrophobicContact CD2-CG 3.56Å; L593-P616 HydrophobicContact CG-CB 4.22Å; L593-P616 HydrophobicContact CG-CG 3.92Å; L609-P616 HydrophobicContact CD1-CB 3.96Å; L609-P616 HydrophobicContact CD1-CG 3.91Å
617	H	78.6	Confident	73.5	Confident	168 Å²	168	79.4 Å²	79.4	78%	0.778	48%	0.48	S	S	*	.			trans	-107.4	-25.7	178.5	-175	-86.8	0	0	0	112.8	S615	S615-H617 PolarHBondContact O-N 2.96Å
618	S	81.7	Confident	73.1	Confident	98 Å²	98	81.8 Å²	81.8	69%	0.685	50%	0.496	S	S	*	.			trans	-154.9	156.7	178.4	-175.6	0	0	0	0	108.9
619	G	79.8	Confident	72.7	Confident	39 Å²	39	84.9 Å²	84.9	40%	0.402	51%	0.513	S	S	.	.			trans	-161.2	164.4	174.2	0	0	0	0	0	111.1
620	A	81.4	Confident	72.2	Confident	83 Å²	83	89.2 Å²	89.2	69%	0.686	54%	0.54	S	S	*	.			trans	-137.4	146.1	175	0	0	0	0	0	108.8
621	L	79.1	Confident	71.8	Confident	54 Å²	54	89.5 Å²	89.5	28%	0.283	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-85.8	123.5	171.1	-68.7	169.1	0	0	0	108.6	I573 P575 M580 Y584	I573-L621 HydrophobicContact CG2-CD1 4.15Å; I573-L621 HydrophobicContact CG2-CD2 4.24Å; I573-L621 HydrophobicContact CG2-CG 3.68Å; P575-L621 HydrophobicContact CB-CD1 3.94Å; M580-L621 HydrophobicContact CE-CB 4.46Å; M580-L621 HydrophobicContact SD-CB 4.03Å; M580-L621 HydrophobicContact SD-CD1 3.96Å; M580-L621 HydrophobicContact SD-CG 4.41Å; Y584-L621 HydrophobicContact CD2-CD2 3.79Å; Y584-L621 HydrophobicContact CE2-CD2 3.69Å
622	L	72.9	Confident	71.5	Confident	134 Å²	134	89.4 Å²	89.4	70%	0.702	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-95.6	119.4	170.6	-63.3	174.2	0	0	0	107.7
623	S	64.8	Low	71.1	Confident	45 Å²	45	90.6 Å²	90.6	32%	0.315	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-78	133	164.4	-173.1	0	0	0	0	109.4	E578 G625	E578-S623 WeakPolarHBondContact OE1-CB 3.36Å; E578-S623 PolarHBondContact OE1-OG 3.44Å; E578-S623 WeakPolarHBondContact OE2-CB 3.15Å; E578-S623 PolarHBondContact OE2-OG 2.97Å; S623-G625 VanDerWaalsContact C-N 3.33Å; S623-G625 PolarHBondContact O-N 3.15Å
624	S	59.7	Low	70.6	Confident	98 Å²	98	88.8 Å²	88.8	69%	0.685	55%	0.546	S	S	*	.			trans	-73.7	96.4	162.3	72.1	0	0	0	0	106.8	K626	S624-K626 PolarHBondContact O-N 3.41Å
625	G	49.6	Very low	70.4	Confident	74 Å²	74	94.8 Å²	94.8	76%	0.763	58%	0.582	S	S	*	*			trans	-50.1	117.2	172.5	0	0	0	0	0	109.4	S623	S623-G625 VanDerWaalsContact C-N 3.33Å; S623-G625 PolarHBondContact O-N 3.15Å
626	K	38	Very low	69.6	Low	269 Å²	269	98.6 Å²	98.6	100%	1.17	60%	0.602	S	S	*	*			trans	-109.9	0	170.7	-92.3	-167.7	177.7	-179.1	0	109.9	S624	S624-K626 PolarHBondContact O-N 3.41Å

Retrieved 626 of 626 residues in 254.2 ms (Link to these results)

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