A0A2K5MZI5_CERAT Loading...

Actin-binding protein IPP

May play a role in organizing the actin cytoskeleton.

AlphaFold DB , UniProt , Accession A0A2K5MZI5, Species CERAT (Cercocebus atys, Sooty mangabey), Gene IPP, Length 584 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	39.9	Very low	49.7	Very low	250 Å²	250	141.7 Å²	141.7	100%	1.232	85%	0.851	S	S	*	*				0	138.2	0	-70.7	-178.6	-144.1	0	0	107.5
2	A	43	Very low	51	Low	98 Å²	98	135.9 Å²	135.9	81%	0.81	82%	0.822	S	S	*	*			trans	-53.3	136.2	-161.4	0	0	0	0	0	114.5
3	N	40	Very low	52.7	Low	167 Å²	167	135.2 Å²	135.2	89%	0.893	82%	0.822	S	S	*	*			trans	-112.4	101.8	159.3	-138.4	9.5	0	0	0	105.6	G5	N3-G5 PolarHBondContact O-N 3.48Å; N3-G5 VanDerWaalsContact O-N 3.1Å
4	E	47.9	Very low	54.6	Low	188 Å²	188	140 Å²	140	88%	0.879	83%	0.827	S	S	*	*			trans	-63.9	105.9	174.8	-73.9	180	153.8	0	0	108.6	C6	E4-C6 PolarHBondContact O-N 3.12Å
5	G	43.3	Very low	56.3	Low	74 Å²	74	137.7 Å²	137.7	76%	0.763	82%	0.821	S	S	*	*			trans	-70.6	106.1	170	0	0	0	0	0	109.4	N3	N3-G5 PolarHBondContact O-N 3.48Å; N3-G5 VanDerWaalsContact O-N 3.1Å
6	C	52.1	Low	58	Low	114 Å²	114	134.1 Å²	134.1	77%	0.77	80%	0.804	S	S	*	*			trans	-53.8	127.7	167.1	-159.9	0	0	0	0	109.3	E4 K8	E4-C6 PolarHBondContact O-N 3.12Å; C6-K8 PolarHBondContact O-N 3.23Å; C6-K8 VanDerWaalsContact O-N 3.1Å
7	P	51.1	Low	59.3	Low	118 Å²	118	134.3 Å²	134.3	77%	0.766	80%	0.801	S	S	*	*			trans	-67.4	115.3	177.3	26	-29.4	0	0	0	108.1	A9	P7-A9 PolarHBondContact O-N 3.38Å
8	K	55.7	Low	60.8	Low	207 Å²	207	135.2 Å²	135.2	90%	0.9	79%	0.792	S	S	*	*			trans	-57.2	110.5	167.6	-74.5	-178.5	176	-179.8	0	107	C6 A10	C6-K8 PolarHBondContact O-N 3.23Å; C6-K8 VanDerWaalsContact O-N 3.1Å; K8-A10 PolarHBondContact O-N 3.28Å
9	A	55.2	Low	62.1	Low	89 Å²	89	134.5 Å²	134.5	74%	0.736	78%	0.78	S	S	*	*			trans	-52.7	116.3	168.2	0	0	0	0	0	107	P7 D11	P7-A9 PolarHBondContact O-N 3.38Å; A9-D11 PolarHBondContact O-N 3.47Å
10	A	56.6	Low	63.3	Low	88 Å²	88	131.2 Å²	131.2	73%	0.727	77%	0.77	S	S	*	*			trans	-61.4	120.4	169.8	0	0	0	0	0	106.5	K8 S12	K8-A10 PolarHBondContact O-N 3.28Å; A10-S12 PolarHBondContact O-N 2.96Å
11	D	61.6	Low	64.3	Low	166 Å²	166	131.6 Å²	131.6	89%	0.888	76%	0.764	S	S	*	*			trans	-63.5	83.3	172.2	-76	-37.3	0	0	0	108.5	A9	A9-D11 PolarHBondContact O-N 3.47Å
12	S	65.1	Low	66.6	Low	72 Å²	72	124.9 Å²	124.9	50%	0.503	73%	0.733	S	S	.	*			trans	-80.2	121.2	171.1	51.4	0	0	0	0	108.1	A10 F14	A10-S12 PolarHBondContact O-N 2.96Å; S12-F14 PolarHBondContact O-N 2.93Å
13	P	74	Confident	68.8	Low	127 Å²	127	124 Å²	124	83%	0.825	71%	0.714	S	S	*	*			trans	-61.3	129.1	177.3	24.4	-32.1	0	0	0	110.2
14	F	79.2	Confident	71.1	Confident	202 Å²	202	118.8 Å²	118.8	89%	0.886	69%	0.686	S	S	*	*			trans	-84.8	113.4	175.1	-62.7	-85.7	0	0	0	109.5	S12	S12-F14 PolarHBondContact O-N 2.93Å
15	S	79.9	Confident	73	Confident	105 Å²	105	112.4 Å²	112.4	73%	0.734	67%	0.665	S	S	*	*			trans	-93.1	141.8	172.5	61	0	0	0	0	111
16	S	82.9	Confident	75.2	Confident	80 Å²	80	113.8 Å²	113.8	56%	0.559	65%	0.651	S	S	*	*			trans	-114.1	107.2	173.4	176.6	0	0	0	0	109.8	K18 H19	S16-K18 PolarHBondContact O-N 3.08Å; S16-H19 WeakPolarHBondContact O-CB 3.44Å; S16-H19 PolarHBondContact O-N 3.44Å
17	D	80.4	Confident	77.1	Confident	138 Å²	138	110.3 Å²	110.3	74%	0.738	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-21.9	-178.9	-54.8	-31.7	0	0	0	112.5
18	K	85.9	Confident	78.9	Confident	150 Å²	150	106 Å²	106	65%	0.652	60%	0.596	S	S	*	*	H	α-helix	trans	-81.5	-18.2	179.7	-63.6	-177.6	-178.5	178.8	0	113.4	S16 A20 Q21 L22	S16-K18 PolarHBondContact O-N 3.08Å; K18-A20 PolarHBondContact O-N 3.11Å; K18-Q21 PolarHBondContact O-N 3.48Å; K18-L22 HydrophobicContact CB-CD1 4.35Å; K18-L22 WeakPolarHBondContact O-CB 3.5Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.04Å
19	H	87	Confident	80.6	Confident	122 Å²	122	103.1 Å²	103.1	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-61.2	-47.9	-173.1	-177.8	64.7	0	0	0	112	S16 L22 I23	S16-H19 WeakPolarHBondContact O-CB 3.44Å; S16-H19 PolarHBondContact O-N 3.44Å; H19-L22 PolarHBondContact O-N 3.2Å; H19-I23 VanDerWaalsContact NE2-CD1 3.33Å; H19-I23 WeakPolarHBondContact NE2-CD1 3.4Å; H19-I23 WeakPolarHBondContact O-CG1 3.34Å; H19-I23 PolarHBondContact O-N 2.96Å; H19-I23 VanDerWaalsContact O-N 3.1Å
20	A	84.8	Confident	82.2	Confident	69 Å²	69	102.2 Å²	102.2	57%	0.57	56%	0.564	S	S	*	*	H	α-helix	trans	-64.1	-44	179.5	0	0	0	0	0	112.5	K18 L22 I23 L24	K18-A20 PolarHBondContact O-N 3.11Å; A20-L22 PolarHBondContact O-N 3.47Å; A20-I23 PolarHBondContact O-N 3.23Å; A20-L24 PolarHBondContact O-N 3.49Å
21	Q	85.1	Confident	83.8	Confident	139 Å²	139	98.8 Å²	98.8	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-63	-42.4	178.6	-68.6	179.5	-9.6	0	0	112.1	K18 L24 A25	K18-Q21 PolarHBondContact O-N 3.48Å; Q21-L24 PolarHBondContact O-N 3.41Å; Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.43Å
22	L	87.3	Confident	85.1	Confident	109 Å²	109	96.3 Å²	96.3	57%	0.571	52%	0.519	S	S	*	.	H	α-helix	trans	-65.4	-40.2	177.9	-72.1	171.4	0	0	0	111.8	K18 H19 A20 A25 Q26	K18-L22 HydrophobicContact CB-CD1 4.35Å; K18-L22 WeakPolarHBondContact O-CB 3.5Å; K18-L22 VanDerWaalsContact O-CG 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.04Å; H19-L22 PolarHBondContact O-N 3.2Å; A20-L22 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 2.88Å; L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 3.27Å
23	I	89.8	Confident	86.1	Confident	80 Å²	80	94.7 Å²	94.7	41%	0.41	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-51.2	175.2	-72.8	172.4	0	0	0	110.3	H19 A20 A25 Q26 I27	H19-I23 VanDerWaalsContact NE2-CD1 3.33Å; H19-I23 WeakPolarHBondContact NE2-CD1 3.4Å; H19-I23 WeakPolarHBondContact O-CG1 3.34Å; H19-I23 PolarHBondContact O-N 2.96Å; H19-I23 VanDerWaalsContact O-N 3.1Å; A20-I23 PolarHBondContact O-N 3.23Å; I23-A25 VanDerWaalsContact C-N 3.27Å; I23-A25 PolarHBondContact O-N 2.95Å; I23-Q26 PolarHBondContact O-N 3.2Å; I23-Q26 VanDerWaalsContact O-N 3.11Å; I23-I27 HydrophobicContact CG2-CD1 3.66Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 3.02Å
24	L	88.9	Confident	86.7	Confident	58 Å²	58	94.4 Å²	94.4	30%	0.304	50%	0.502	S	S	.	.	H	α-helix	trans	-59.1	-40.8	-179.5	-152.4	84.8	0	0	0	111.3	A20 Q21 Q26 I27 N28 Y96	A20-L24 PolarHBondContact O-N 3.49Å; Q21-L24 PolarHBondContact O-N 3.41Å; L24-Q26 PolarHBondContact O-N 3.05Å; L24-I27 PolarHBondContact O-N 3.48Å; L24-N28 PolarHBondContact O-N 3.15Å; L24-Y96 VanDerWaalsContact CD2-C 3.47Å; L24-Y96 WeakPolarHBondContact CD2-O 3.44Å; L24-Y96 WeakPolarHBondContact CG-O 3.14Å
25	A	88.1	Confident	86.9	Confident	54 Å²	54	90.1 Å²	90.1	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-40.7	175.9	0	0	0	0	0	113	Q21 L22 I23 N28 K29	Q21-A25 WeakPolarHBondContact O-CB 3.44Å; Q21-A25 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 2.88Å; I23-A25 VanDerWaalsContact C-N 3.27Å; I23-A25 PolarHBondContact O-N 2.95Å; A25-N28 PolarHBondContact O-N 3.28Å; A25-K29 PolarHBondContact O-N 3.47Å
26	Q	89.4	Confident	87.2	Confident	102 Å²	102	93.3 Å²	93.3	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-39	174.9	-67.4	-54	-33.3	0	0	111.9	L22 I23 L24 N28 K29 M30	L22-Q26 WeakPolarHBondContact O-CG 3.43Å; L22-Q26 PolarHBondContact O-N 3.27Å; I23-Q26 PolarHBondContact O-N 3.2Å; I23-Q26 VanDerWaalsContact O-N 3.11Å; L24-Q26 PolarHBondContact O-N 3.05Å; Q26-N28 VanDerWaalsContact C-N 3.32Å; Q26-N28 PolarHBondContact O-N 3.45Å; Q26-K29 WeakPolarHBondContact O-CB 3.27Å; Q26-K29 PolarHBondContact O-N 3.42Å; Q26-M30 HydrophobicContact CB-CE 4.2Å; Q26-M30 WeakPolarHBondContact O-CE 3.43Å; Q26-M30 WeakPolarHBondContact O-CG 3.44Å; Q26-M30 PolarHBondContact O-N 2.96Å
27	I	90.7	Very high	87.3	Confident	42 Å²	42	91.1 Å²	91.1	22%	0.215	47%	0.47	C	S	.	.	H	α-helix	trans	-62.3	-41.9	175	-65.6	170.1	0	0	0	110.4	I23 L24 K29 M30 R31 V54 Y96	I23-I27 HydrophobicContact CG2-CD1 3.66Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 3.02Å; L24-I27 PolarHBondContact O-N 3.48Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.99Å; I27-M30 HydrophobicContact CG1-CE 4.46Å; I27-M30 WeakPolarHBondContact O-CB 3.33Å; I27-M30 PolarHBondContact O-N 3.32Å; I27-R31 PolarHBondContact O-N 3.25Å; I27-V54 HydrophobicContact CG2-CG2 3.84Å; I27-Y96 HydrophobicContact CG2-CD1 3.97Å; I27-Y96 HydrophobicContact CG2-CE1 3.68Å
28	N	90.3	Very high	87.7	Confident	28 Å²	28	88.2 Å²	88.2	15%	0.15	45%	0.454	C	S	.	.	H	α-helix	trans	-63.3	-40	175.1	-165.2	30.7	0	0	0	112.1	L24 A25 Q26 M30 R31 N32 Y96 T97	L24-N28 PolarHBondContact O-N 3.15Å; A25-N28 PolarHBondContact O-N 3.28Å; Q26-N28 VanDerWaalsContact C-N 3.32Å; Q26-N28 PolarHBondContact O-N 3.45Å; N28-M30 VanDerWaalsContact C-N 3.3Å; N28-M30 PolarHBondContact O-N 3.48Å; N28-R31 WeakPolarHBondContact O-CB 3.4Å; N28-R31 PolarHBondContact O-N 3.1Å; N28-N32 PolarHBondContact O-N 3.42Å; N28-Y96 HydrophobicContact CB-CD1 4.25Å; N28-Y96 WeakPolarHBondContact OD1-CB 3.47Å; N28-T97 WeakPolarHBondContact ND2-CG2 3.38Å
29	K	90.1	Very high	87.8	Confident	146 Å²	146	81.2 Å²	81.2	64%	0.635	42%	0.424	S	S	*	.	H	α-helix	trans	-61.1	-39.3	173.9	-168.7	179.1	-179.9	-178.9	0	111.8	A25 Q26 I27 N32 G33	A25-K29 PolarHBondContact O-N 3.47Å; Q26-K29 WeakPolarHBondContact O-CB 3.27Å; Q26-K29 PolarHBondContact O-N 3.42Å; I27-K29 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 2.99Å; K29-N32 PolarHBondContact O-N 3.46Å; K29-G33 PolarHBondContact O-N 2.95Å; K29-G33 VanDerWaalsContact O-N 3.12Å
30	M	89.6	Confident	87.9	Confident	70 Å²	70	79 Å²	79	35%	0.345	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-40.5	175.3	-71.8	-175.8	-102.1	0	0	112.4	Q26 I27 N28 N32 G33 Q34 H35 F36	Q26-M30 HydrophobicContact CB-CE 4.2Å; Q26-M30 WeakPolarHBondContact O-CE 3.43Å; Q26-M30 WeakPolarHBondContact O-CG 3.44Å; Q26-M30 PolarHBondContact O-N 2.96Å; I27-M30 HydrophobicContact CG1-CE 4.46Å; I27-M30 WeakPolarHBondContact O-CB 3.33Å; I27-M30 PolarHBondContact O-N 3.32Å; N28-M30 VanDerWaalsContact C-N 3.3Å; N28-M30 PolarHBondContact O-N 3.48Å; M30-N32 PolarHBondContact O-N 3.01Å; M30-G33 CarbonylContact O-C 3.56Å; M30-G33 PolarHBondContact O-N 3.33Å; M30-Q34 PolarHBondContact O-N 3.1Å; M30-Q34 VanDerWaalsContact O-N 3.08Å; M30-H35 HydrophobicContact CB-CB 4.41Å; M30-H35 PolarHBondContact O-N 3.32Å; M30-F36 HydrophobicContact SD-CD2 4.14Å; M30-F36 HydrophobicContact SD-CE2 4.38Å
31	R	89.7	Confident	88.1	Confident	16 Å²	16	75.8 Å²	75.8	6%	0.06	39%	0.387	C	S	.	.	H	α-helix	trans	-56.8	-48.7	172.9	176.5	-174.2	164.4	-141.7	-11.5	111.5	I27 N28 G33 Q34 L92 D93 Y96	I27-R31 PolarHBondContact O-N 3.25Å; N28-R31 WeakPolarHBondContact O-CB 3.4Å; N28-R31 PolarHBondContact O-N 3.1Å; R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.21Å; R31-Q34 WeakPolarHBondContact O-CA 3.32Å; R31-Q34 PolarHBondContact O-N 2.98Å; R31-L92 VanDerWaalsContact CZ-CG 3.45Å; R31-L92 VanDerWaalsContact NH2-CG 3.3Å; R31-D93 IonicContact CZ-OD1 3.84Å; R31-D93 IonicContact NH1-OD1 3.91Å; R31-D93 PolarHBondContact NH1-OD1 3.45Å; R31-D93 IonicContact NH2-OD1 2.71Å; R31-D93 PolarHBondContact NH2-OD1 3.43Å; R31-Y96 HydrophobicContact CB-CE1 4.21Å
32	N	88.2	Confident	88.4	Confident	113 Å²	113	73.1 Å²	73.1	60%	0.604	38%	0.375	S	S	*	.	H	α-helix	trans	-64.1	-33.4	179.4	-71.2	-19.7	0	0	0	112.7	N28 K29 M30 Q34	N28-N32 PolarHBondContact O-N 3.42Å; K29-N32 PolarHBondContact O-N 3.46Å; M30-N32 PolarHBondContact O-N 3.01Å; N32-Q34 PolarHBondContact O-N 3.25Å
33	G	87.1	Confident	88.5	Confident	39 Å²	39	68 Å²	68	40%	0.402	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.3	171.1	0	0	0	0	0	114.8	K29 M30 R31 H35	K29-G33 PolarHBondContact O-N 2.95Å; K29-G33 VanDerWaalsContact O-N 3.12Å; M30-G33 CarbonylContact O-C 3.56Å; M30-G33 PolarHBondContact O-N 3.33Å; R31-G33 VanDerWaalsContact C-N 3.28Å; R31-G33 PolarHBondContact O-N 3.21Å; G33-H35 PolarHBondContact O-CD2 2.8Å; G33-H35 PolarHBondContact O-N 2.76Å
34	Q	85.8	Confident	88.2	Confident	121 Å²	121	67.2 Å²	67.2	57%	0.565	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	30.2	-174.4	-51.6	-175.7	12.3	0	0	113.9	M30 R31 N32 K49	M30-Q34 PolarHBondContact O-N 3.1Å; M30-Q34 VanDerWaalsContact O-N 3.08Å; R31-Q34 WeakPolarHBondContact O-CA 3.32Å; R31-Q34 PolarHBondContact O-N 2.98Å; N32-Q34 PolarHBondContact O-N 3.25Å; Q34-K49 HydrophobicContact CB-CD 4.29Å; Q34-K49 HydrophobicContact CG-CD 4.15Å
35	H	84.5	Confident	87.9	Confident	112 Å²	112	74.5 Å²	74.5	52%	0.519	39%	0.389	S	S	.	.			trans	-90.6	133.7	177.6	-62.7	-61.7	0	0	0	110.3	M30 G33 C37 H51	M30-H35 HydrophobicContact CB-CB 4.41Å; M30-H35 PolarHBondContact O-N 3.32Å; G33-H35 PolarHBondContact O-CD2 2.8Å; G33-H35 PolarHBondContact O-N 2.76Å; H35-C37 PolarHBondContact O-N 3.18Å; H35-C37 VanDerWaalsContact O-N 3.15Å; H35-H51 PolarHBondContact O-NE2 2.77Å
36	F	85	Confident	88	Confident	171 Å²	171	76.9 Å²	76.9	75%	0.75	39%	0.391	S	S	*	.	S	Bend	trans	61.5	12.2	177.7	-51.4	-75.5	0	0	0	116.5	M30 D38 H51	M30-F36 HydrophobicContact SD-CD2 4.14Å; M30-F36 HydrophobicContact SD-CE2 4.38Å; F36-D38 PolarHBondContact O-N 2.95Å; F36-H51 PolarHBondContact O-CD2 3.21Å
37	C	86	Confident	88.1	Confident	35 Å²	35	76.3 Å²	76.3	24%	0.236	39%	0.394	C	S	.	.			trans	-67.2	119	173.3	-58.6	0	0	0	0	110.9	H35 K49 A50	H35-C37 PolarHBondContact O-N 3.18Å; H35-C37 VanDerWaalsContact O-N 3.15Å; C37-K49 HydrophobicContact CB-CB 3.93Å; C37-A50 WeakPolarHBondContact CA-O 3.15Å
38	D	88.2	Confident	88.1	Confident	77 Å²	77	75.1 Å²	75.1	41%	0.412	39%	0.387	S	S	.	.			trans	-110.5	5.3	-174.2	62.3	-9.3	0	0	0	113.1	F36 A50 H51 R52	F36-D38 PolarHBondContact O-N 2.95Å; D38-A50 PolarHBondContact N-O 3.32Å; D38-H51 VanDerWaalsContact OD1-CA 3.23Å; D38-H51 WeakPolarHBondContact OD1-CA 3.23Å; D38-R52 PolarHBondContact O-NE 3.33Å; D38-R52 WeakPolarHBondContact OD1-CG 3.35Å; D38-R52 PolarHBondContact OD1-N 2.89Å
39	V	88	Confident	88.1	Confident	3 Å²	3	77.6 Å²	77.6	2%	0.018	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.2	173.3	64.2	0	0	0	0	112	L41 A50 R52 L55 F66 V78	V39-L41 HydrophobicContact CG2-CD2 3.95Å; V39-A50 HydrophobicContact CG1-CB 4.19Å; V39-A50 WeakPolarHBondContact CG1-O 3.45Å; V39-A50 PolarHBondContact N-O 3.19Å; V39-A50 PolarHBondContact O-N 3.08Å; V39-R52 HydrophobicContact CB-CG 3.75Å; V39-R52 HydrophobicContact CG1-CG 3.78Å; V39-L55 HydrophobicContact CG1-CD1 4.05Å; V39-F66 HydrophobicContact CG2-CE1 4.3Å; V39-F66 HydrophobicContact CG2-CZ 4.26Å; V39-V78 HydrophobicContact CG2-CG2 4.05Å
40	Q	89.6	Confident	88.2	Confident	76 Å²	76	70.6 Å²	70.6	36%	0.355	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.5	169.5	-55.2	-171.9	9.4	0	0	109.5	F48 K49 D76 V77 V78	Q40-F48 CarbonylContact C-O 3.49Å; Q40-F48 WeakPolarHBondContact CA-O 3.32Å; Q40-K49 HydrophobicContact CG-CG 4.3Å; Q40-D76 PolarHBondContact N-O 3.05Å; Q40-V77 HydrophobicContact CB-CG2 4.31Å; Q40-V77 CarbonylContact O-C 3.59Å; Q40-V77 VanDerWaalsContact O-CA 3.31Å; Q40-V77 WeakPolarHBondContact O-CA 3.48Å; Q40-V78 PolarHBondContact O-N 2.8Å
41	L	89.4	Confident	88.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.6	177.2	-56.5	178.6	0	0	0	108.8	V39 T47 F48 L55 F62 V78 I80 F88	V39-L41 HydrophobicContact CG2-CD2 3.95Å; L41-T47 WeakPolarHBondContact O-CA 3.36Å; L41-F48 HydrophobicContact CB-CB 4.45Å; L41-F48 PolarHBondContact N-O 3.05Å; L41-F48 PolarHBondContact O-N 2.94Å; L41-L55 HydrophobicContact CD1-CD1 3.84Å; L41-F62 HydrophobicContact CD1-CZ 4.47Å; L41-V78 CarbonylContact C-O 3.53Å; L41-V78 WeakPolarHBondContact CA-O 3.27Å; L41-V78 HydrophobicContact CD2-CB 3.95Å; L41-V78 HydrophobicContact CD2-CG1 4.35Å; L41-I80 HydrophobicContact CB-CD1 4.24Å; L41-I80 HydrophobicContact CD1-CD1 4.11Å; L41-I80 HydrophobicContact CD2-CD1 4.32Å; L41-I80 HydrophobicContact CG-CD1 4.46Å; L41-F88 HydrophobicContact CB-CE1 4.36Å; L41-F88 HydrophobicContact CB-CZ 4.48Å; L41-F88 HydrophobicContact CD1-CE1 3.94Å; L41-F88 HydrophobicContact CD1-CZ 3.52Å
42	Q	90.1	Very high	88.2	Confident	84 Å²	84	69.5 Å²	69.5	39%	0.393	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	114.8	178.2	-175.7	176.5	5.7	0	0	109.5	T47 V77 V78 P79 I80	Q42-T47 HydrophobicContact CB-CG2 4.45Å; Q42-T47 HydrophobicContact CG-CG2 4.34Å; Q42-V77 HydrophobicContact CB-CG1 4.04Å; Q42-V78 PolarHBondContact N-O 3.41Å; Q42-P79 CarbonylContact O-C 3.59Å; Q42-P79 WeakPolarHBondContact O-CA 3.46Å; Q42-I80 PolarHBondContact O-N 2.95Å
43	V	89.6	Confident	88.2	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	105	179.5	-168.5	0	0	0	0	108.3	K45 E46 F48 I80 I83 F88	V43-K45 PolarHBondContact O-N 2.89Å; V43-K45 VanDerWaalsContact O-N 3.08Å; V43-E46 PolarHBondContact N-O 2.87Å; V43-E46 PolarHBondContact O-N 2.85Å; V43-F48 HydrophobicContact CB-CD2 4.4Å; V43-F48 HydrophobicContact CB-CE2 4.05Å; V43-F48 HydrophobicContact CG2-CD2 3.97Å; V43-F48 HydrophobicContact CG2-CE2 4.06Å; V43-I80 HydrophobicContact CG2-CB 4.1Å; V43-I80 HydrophobicContact CG2-CD1 4.4Å; V43-I83 HydrophobicContact CG1-CB 4.48Å; V43-I83 WeakPolarHBondContact CG1-O 3.49Å; V43-F88 HydrophobicContact CG1-CB 4.22Å; V43-F88 HydrophobicContact CG1-CG 4.48Å; V43-F88 HydrophobicContact CG2-CB 4.35Å; V43-F88 HydrophobicContact CG2-CD1 3.62Å; V43-F88 HydrophobicContact CG2-CD2 4.29Å; V43-F88 HydrophobicContact CG2-CE1 4Å; V43-F88 HydrophobicContact CG2-CG 3.8Å
44	G	84.1	Confident	88.4	Confident	64 Å²	64	69.8 Å²	69.8	66%	0.66	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-112.3	-171.5	0	0	0	0	0	112.1
45	K	82.9	Confident	88.6	Confident	210 Å²	210	64 Å²	64	91%	0.913	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.8	178.7	-65.1	-177.2	-176.9	175.8	0	113.6	V43	V43-K45 PolarHBondContact O-N 2.89Å; V43-K45 VanDerWaalsContact O-N 3.08Å
46	E	90.5	Very high	88.9	Confident	104 Å²	104	60 Å²	60	49%	0.486	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	149.2	-175.1	-64.5	-172.9	-165.6	0	0	111.4	V43 F48 A85	V43-E46 PolarHBondContact N-O 2.87Å; V43-E46 PolarHBondContact O-N 2.85Å; E46-F48 HydrophobicContact CB-CE2 3.8Å; E46-F48 HydrophobicContact CB-CZ 3.94Å; E46-F48 WeakPolarHBondContact OE2-CZ 3.3Å; E46-A85 HydrophobicContact CB-CB 4.02Å; E46-A85 HydrophobicContact CG-CB 4.01Å; E46-A85 WeakPolarHBondContact OE2-CB 3.39Å
47	T	90.1	Very high	89.1	Confident	90 Å²	90	55.8 Å²	55.8	55%	0.552	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.5	179.9	49.1	0	0	0	0	110.7	L41 Q42	L41-T47 WeakPolarHBondContact O-CA 3.36Å; Q42-T47 HydrophobicContact CB-CG2 4.45Å; Q42-T47 HydrophobicContact CG-CG2 4.34Å
48	F	91	Very high	89.3	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.075	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.9	-177.7	-59.2	-84	0	0	0	110.1	Q40 L41 V43 E46 A85 F88 Q89 L92	Q40-F48 CarbonylContact C-O 3.49Å; Q40-F48 WeakPolarHBondContact CA-O 3.32Å; L41-F48 HydrophobicContact CB-CB 4.45Å; L41-F48 PolarHBondContact N-O 3.05Å; L41-F48 PolarHBondContact O-N 2.94Å; V43-F48 HydrophobicContact CB-CD2 4.4Å; V43-F48 HydrophobicContact CB-CE2 4.05Å; V43-F48 HydrophobicContact CG2-CD2 3.97Å; V43-F48 HydrophobicContact CG2-CE2 4.06Å; E46-F48 HydrophobicContact CB-CE2 3.8Å; E46-F48 HydrophobicContact CB-CZ 3.94Å; E46-F48 WeakPolarHBondContact OE2-CZ 3.3Å; F48-A85 HydrophobicContact CE2-CB 4.32Å; F48-A85 HydrophobicContact CZ-CB 4.22Å; F48-F88 HydrophobicContact CB-CE1 4.34Å; F48-F88 AromaticContact CD2-CD1 3.73Å; F48-F88 HydrophobicContact CD2-CD1 3.73Å; F48-F88 HydrophobicContact CD2-CE1 4.02Å; F48-F88 AromaticContact CE2-CD1 3.93Å; F48-F88 HydrophobicContact CE2-CD1 3.93Å; F48-F88 HydrophobicContact CG-CD1 4.17Å; F48-F88 HydrophobicContact CG-CE1 4.22Å; F48-Q89 VanDerWaalsContact CD1-OE1 3.24Å; F48-Q89 HydrophobicContact CE1-CB 4.13Å; F48-Q89 HydrophobicContact CZ-CB 4.45Å; F48-L92 HydrophobicContact CB-CD2 3.87Å; F48-L92 HydrophobicContact CD1-CD2 4.35Å; F48-L92 HydrophobicContact CG-CD2 4.3Å
49	K	90.6	Very high	89.5	Confident	80 Å²	80	53 Å²	53	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	132.5	173.9	-64.1	-171.7	179.4	178.9	0	110	Q34 C37 Q40	Q34-K49 HydrophobicContact CB-CD 4.29Å; Q34-K49 HydrophobicContact CG-CD 4.15Å; C37-K49 HydrophobicContact CB-CB 3.93Å; Q40-K49 HydrophobicContact CG-CG 4.3Å
50	A	91.7	Very high	89.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	176.7	-177.9	0	0	0	0	0	111.9	C37 D38 V39 L55 L92	C37-A50 WeakPolarHBondContact CA-O 3.15Å; D38-A50 PolarHBondContact N-O 3.32Å; V39-A50 HydrophobicContact CG1-CB 4.19Å; V39-A50 WeakPolarHBondContact CG1-O 3.45Å; V39-A50 PolarHBondContact N-O 3.19Å; V39-A50 PolarHBondContact O-N 3.08Å; A50-L55 HydrophobicContact CB-CD1 3.81Å; A50-L55 HydrophobicContact CB-CG 4.36Å; A50-L92 HydrophobicContact CB-CD1 4.42Å
51	H	91.6	Very high	89.7	Confident	21 Å²	21	55.9 Å²	55.9	10%	0.097	31%	0.312	C	S	.	.			trans	-104.7	124.9	175.2	-52	91.4	0	0	0	110.4	H35 F36 D38 L53 V54 L55 Y96	H35-H51 PolarHBondContact O-NE2 2.77Å; F36-H51 PolarHBondContact O-CD2 3.21Å; D38-H51 VanDerWaalsContact OD1-CA 3.23Å; D38-H51 WeakPolarHBondContact OD1-CA 3.23Å; H51-L53 VanDerWaalsContact C-N 3.29Å; H51-L53 PolarHBondContact O-N 3.49Å; H51-V54 HydrophobicContact CB-CB 4.32Å; H51-V54 HydrophobicContact CB-CG2 3.88Å; H51-V54 PolarHBondContact O-N 3.47Å; H51-L55 WeakPolarHBondContact O-CG 3.45Å; H51-L55 PolarHBondContact O-N 2.65Å; H51-Y96 PolarHBondContact N-OH 3.45Å; H51-Y96 AromaticContact ND1-CE1 3.61Å; H51-Y96 AromaticContact ND1-CZ 3.78Å; H51-Y96 PolarHBondContact ND1-OH 3.49Å; H51-Y96 VanDerWaalsContact ND1-OH 3.1Å
52	R	88.6	Confident	89.8	Confident	42 Å²	42	55.9 Å²	55.9	16%	0.158	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-42.1	178.9	-70.3	171.3	173.9	-105.9	-1.3	112.3	D38 V39 V54 L55 A56 F66 S73 K75	D38-R52 PolarHBondContact O-NE 3.33Å; D38-R52 WeakPolarHBondContact OD1-CG 3.35Å; D38-R52 PolarHBondContact OD1-N 2.89Å; V39-R52 HydrophobicContact CB-CG 3.75Å; V39-R52 HydrophobicContact CG1-CG 3.78Å; R52-V54 PolarHBondContact O-N 3.29Å; R52-L55 PolarHBondContact O-N 3.29Å; R52-A56 VanDerWaalsContact O-CB 3.25Å; R52-A56 WeakPolarHBondContact O-CB 3.5Å; R52-A56 PolarHBondContact O-N 3.43Å; R52-F66 HydrophobicContact CB-CD2 4.11Å; R52-F66 HydrophobicContact CB-CE2 4.21Å; R52-F66 HydrophobicContact CB-CG 4.49Å; R52-F66 HydrophobicContact CG-CD1 4.39Å; R52-F66 HydrophobicContact CG-CD2 4.32Å; R52-F66 HydrophobicContact CG-CE1 4.26Å; R52-F66 HydrophobicContact CG-CE2 4.19Å; R52-F66 HydrophobicContact CG-CG 4.43Å; R52-F66 HydrophobicContact CG-CZ 4.16Å; R52-S73 PolarHBondContact NH1-O 3.04Å; R52-S73 PolarHBondContact NH2-O 3.29Å; R52-K75 PolarHBondContact NH2-O 3.4Å
53	L	88.2	Confident	89.7	Confident	141 Å²	141	53.2 Å²	53.2	74%	0.738	30%	0.304	S	S	*	.	H	α-helix	trans	-60.7	-45.1	-178.8	-178.9	65.6	0	0	0	112	H51 A57	H51-L53 VanDerWaalsContact C-N 3.29Å; H51-L53 PolarHBondContact O-N 3.49Å; L53-A57 VanDerWaalsContact O-CB 3.24Å; L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 3.19Å
54	V	90.6	Very high	89.5	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.097	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-45.6	-178.6	-177	0	0	0	0	110	I27 H51 R52 A56 A57 S58 I95 Y96	I27-V54 HydrophobicContact CG2-CG2 3.84Å; H51-V54 HydrophobicContact CB-CB 4.32Å; H51-V54 HydrophobicContact CB-CG2 3.88Å; H51-V54 PolarHBondContact O-N 3.47Å; R52-V54 PolarHBondContact O-N 3.29Å; V54-A56 PolarHBondContact O-N 2.91Å; V54-A57 PolarHBondContact O-N 3.34Å; V54-S58 WeakPolarHBondContact O-CB 3.46Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-S58 PolarHBondContact O-OG 3.16Å; V54-I95 HydrophobicContact CG1-CG2 3.76Å; V54-Y96 HydrophobicContact CB-CE1 4.23Å; V54-Y96 HydrophobicContact CG1-CD1 4.3Å; V54-Y96 HydrophobicContact CG1-CD2 4.45Å; V54-Y96 HydrophobicContact CG1-CE1 3.94Å; V54-Y96 HydrophobicContact CG1-CE2 4.09Å; V54-Y96 HydrophobicContact CG2-CE1 4.13Å
55	L	90.5	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-46.3	177.2	-68	172	0	0	0	112	V39 L41 A50 H51 R52 A57 S58 S59 F62 F66 L92 I95	V39-L55 HydrophobicContact CG1-CD1 4.05Å; L41-L55 HydrophobicContact CD1-CD1 3.84Å; A50-L55 HydrophobicContact CB-CD1 3.81Å; A50-L55 HydrophobicContact CB-CG 4.36Å; H51-L55 WeakPolarHBondContact O-CG 3.45Å; H51-L55 PolarHBondContact O-N 2.65Å; R52-L55 PolarHBondContact O-N 3.29Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-S58 PolarHBondContact O-N 2.86Å; L55-S59 PolarHBondContact O-N 3.16Å; L55-F62 HydrophobicContact CB-CB 3.93Å; L55-F62 HydrophobicContact CB-CD2 3.92Å; L55-F62 HydrophobicContact CB-CG 3.92Å; L55-F62 HydrophobicContact CD2-CD2 4.03Å; L55-F62 HydrophobicContact CD2-CE2 3.97Å; L55-F62 HydrophobicContact CG-CD2 4.49Å; L55-F62 WeakPolarHBondContact O-CB 3.41Å; L55-F66 HydrophobicContact CB-CE2 4.01Å; L55-F66 HydrophobicContact CD1-CE2 4.14Å; L55-F66 HydrophobicContact CD1-CZ 4.31Å; L55-L92 HydrophobicContact CD2-CD1 3.7Å; L55-I95 HydrophobicContact CD2-CD1 3.82Å; L55-I95 HydrophobicContact CD2-CG2 4.45Å
56	A	90.1	Very high	89.7	Confident	27 Å²	27	44.5 Å²	44.5	22%	0.223	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-34.6	177.9	0	0	0	0	0	112.8	R52 V54 A63 F66	R52-A56 VanDerWaalsContact O-CB 3.25Å; R52-A56 WeakPolarHBondContact O-CB 3.5Å; R52-A56 PolarHBondContact O-N 3.43Å; V54-A56 PolarHBondContact O-N 2.91Å; A56-A63 HydrophobicContact CB-CB 4.29Å; A56-A63 WeakPolarHBondContact O-CB 3.37Å; A56-F66 HydrophobicContact CB-CD2 4.32Å
57	A	90.1	Very high	89.2	Confident	84 Å²	84	45 Å²	45	69%	0.694	27%	0.268	S	S	*	.	H	α-helix	trans	-71.1	-34.6	177.6	0	0	0	0	0	112.4	L53 V54 L55	L53-A57 VanDerWaalsContact O-CB 3.24Å; L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 3.19Å; V54-A57 PolarHBondContact O-N 3.34Å; L55-A57 VanDerWaalsContact C-N 3.34Å
58	S	89.7	Confident	88.2	Confident	51 Å²	51	43.2 Å²	43.2	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-91.1	-20.5	-175.1	-61.5	0	0	0	0	114.6	V54 L55	V54-S58 WeakPolarHBondContact O-CB 3.46Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-S58 PolarHBondContact O-OG 3.16Å; L55-S58 PolarHBondContact O-N 2.86Å
59	S	92.9	Very high	86.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	30%	0.296	C	S	.	.			trans	-139.7	124.6	-175.1	158.3	0	0	0	0	111.2	L55 Y61 F62 A63 L117	L55-S59 PolarHBondContact O-N 3.16Å; S59-Y61 PolarHBondContact O-N 3.45Å; S59-Y61 WeakPolarHBondContact OG-CB 3.31Å; S59-Y61 PolarHBondContact OG-N 3.42Å; S59-F62 PolarHBondContact O-N 2.92Å; S59-F62 PolarHBondContact OG-N 3.31Å; S59-A63 PolarHBondContact O-N 3.19Å; S59-L117 WeakPolarHBondContact CB-O 3.43Å; S59-L117 PolarHBondContact OG-O 3.2Å
60	P	91.7	Very high	85.6	Confident	75 Å²	75	45.8 Å²	45.8	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-65.1	-27.6	176.4	-13.1	24.6	0	0	0	113	A63 A64 Q118	P60-A63 PolarHBondContact O-N 2.87Å; P60-A64 WeakPolarHBondContact O-CB 3.34Å; P60-A64 PolarHBondContact O-N 2.85Å; P60-Q118 WeakPolarHBondContact CD-O 3.28Å; P60-Q118 HydrophobicContact CG-CB 4.36Å
61	Y	90.6	Very high	84.2	Confident	66 Å²	66	53.8 Å²	53.8	26%	0.259	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-51.3	171.9	171.5	-94.2	0	0	0	111.1	S59 A64 L65 L117	S59-Y61 PolarHBondContact O-N 3.45Å; S59-Y61 WeakPolarHBondContact OG-CB 3.31Å; S59-Y61 PolarHBondContact OG-N 3.42Å; Y61-A64 PolarHBondContact O-N 3.04Å; Y61-L65 HydrophobicContact CE1-CD2 4.28Å; Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 PolarHBondContact O-N 3.31Å; Y61-L117 HydrophobicContact CD1-CD2 3.68Å; Y61-L117 HydrophobicContact CE1-CD2 3.77Å; Y61-L117 HydrophobicContact CG-CD2 4.4Å
62	F	89.6	Confident	83	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-34	177.8	-70.6	-55.3	0	0	0	112.4	L41 L55 S59 A64 L65 F66 I80 F88 I95 L117	L41-F62 HydrophobicContact CD1-CZ 4.47Å; L55-F62 HydrophobicContact CB-CB 3.93Å; L55-F62 HydrophobicContact CB-CD2 3.92Å; L55-F62 HydrophobicContact CB-CG 3.92Å; L55-F62 HydrophobicContact CD2-CD2 4.03Å; L55-F62 HydrophobicContact CD2-CE2 3.97Å; L55-F62 HydrophobicContact CG-CD2 4.49Å; L55-F62 WeakPolarHBondContact O-CB 3.41Å; S59-F62 PolarHBondContact O-N 2.92Å; S59-F62 PolarHBondContact OG-N 3.31Å; F62-A64 PolarHBondContact O-N 3.32Å; F62-L65 HydrophobicContact CD1-CD2 4.1Å; F62-L65 PolarHBondContact O-N 3.03Å; F62-F66 HydrophobicContact CB-CD2 4.27Å; F62-F66 HydrophobicContact CB-CE2 3.97Å; F62-F66 HydrophobicContact CD1-CE2 4.2Å; F62-F66 HydrophobicContact CD1-CZ 4.32Å; F62-F66 HydrophobicContact CG-CE2 4.39Å; F62-F66 WeakPolarHBondContact O-CD2 3.24Å; F62-F66 WeakPolarHBondContact O-CG 3.49Å; F62-F66 PolarHBondContact O-N 3.42Å; F62-I80 HydrophobicContact CE1-CD1 4.01Å; F62-I80 HydrophobicContact CZ-CD1 3.97Å; F62-F88 HydrophobicContact CZ-CE2 4.3Å; F62-F88 HydrophobicContact CZ-CZ 4.42Å; F62-I95 HydrophobicContact CE2-CD1 4.43Å; F62-L117 HydrophobicContact CE1-CD2 4.47Å; F62-L117 HydrophobicContact CE2-CD1 4.34Å; F62-L117 HydrophobicContact CE2-CD2 4.15Å; F62-L117 HydrophobicContact CZ-CD1 4.37Å; F62-L117 HydrophobicContact CZ-CD2 3.8Å
63	A	88.3	Confident	81.9	Confident	28 Å²	28	55 Å²	55	23%	0.231	35%	0.346	C	S	.	.	H	α-helix	trans	-58.1	-49.4	173	0	0	0	0	0	110.8	A56 S59 P60 L65 F66 T67	A56-A63 HydrophobicContact CB-CB 4.29Å; A56-A63 WeakPolarHBondContact O-CB 3.37Å; S59-A63 PolarHBondContact O-N 3.19Å; P60-A63 PolarHBondContact O-N 2.87Å; A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 2.84Å; A63-F66 PolarHBondContact O-N 3.34Å; A63-T67 VanDerWaalsContact O-CB 3.31Å; A63-T67 WeakPolarHBondContact O-CB 3.43Å; A63-T67 WeakPolarHBondContact O-CG2 3.45Å; A63-T67 PolarHBondContact O-N 2.78Å; A63-T67 PolarHBondContact O-OG1 3.35Å
64	A	86.4	Confident	80.7	Confident	51 Å²	51	53.1 Å²	53.1	42%	0.421	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-39.5	177.2	0	0	0	0	0	111.9	P60 Y61 F62 F66 G68	P60-A64 WeakPolarHBondContact O-CB 3.34Å; P60-A64 PolarHBondContact O-N 2.85Å; Y61-A64 PolarHBondContact O-N 3.04Å; F62-A64 PolarHBondContact O-N 3.32Å; A64-F66 PolarHBondContact O-N 2.83Å; A64-G68 WeakPolarHBondContact O-CA 3.43Å; A64-G68 PolarHBondContact O-N 3.3Å
65	L	85.6	Confident	79.9	Confident	14 Å²	14	56.6 Å²	56.6	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-42.1	178.8	-169.6	65.9	0	0	0	112.6	Y61 F62 A63 M70 E72 V78	Y61-L65 HydrophobicContact CE1-CD2 4.28Å; Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 PolarHBondContact O-N 3.31Å; F62-L65 HydrophobicContact CD1-CD2 4.1Å; F62-L65 PolarHBondContact O-N 3.03Å; A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 2.84Å; L65-M70 HydrophobicContact CD1-CE 4.28Å; L65-E72 HydrophobicContact CD1-CB 4.04Å; L65-E72 HydrophobicContact CD1-CG 4.45Å; L65-V78 HydrophobicContact CD2-CG1 3.8Å
66	F	84.6	Confident	79.2	Confident	27 Å²	27	62.3 Å²	62.3	12%	0.118	39%	0.389	C	S	.	.	H	α-helix	trans	-90.7	-27.1	-175.9	-59.7	-43.4	0	0	0	114.1	V39 R52 L55 A56 F62 A63 A64 V78	V39-F66 HydrophobicContact CG2-CE1 4.3Å; V39-F66 HydrophobicContact CG2-CZ 4.26Å; R52-F66 HydrophobicContact CB-CD2 4.11Å; R52-F66 HydrophobicContact CB-CE2 4.21Å; R52-F66 HydrophobicContact CB-CG 4.49Å; R52-F66 HydrophobicContact CG-CD1 4.39Å; R52-F66 HydrophobicContact CG-CD2 4.32Å; R52-F66 HydrophobicContact CG-CE1 4.26Å; R52-F66 HydrophobicContact CG-CE2 4.19Å; R52-F66 HydrophobicContact CG-CG 4.43Å; R52-F66 HydrophobicContact CG-CZ 4.16Å; L55-F66 HydrophobicContact CB-CE2 4.01Å; L55-F66 HydrophobicContact CD1-CE2 4.14Å; L55-F66 HydrophobicContact CD1-CZ 4.31Å; A56-F66 HydrophobicContact CB-CD2 4.32Å; F62-F66 HydrophobicContact CB-CD2 4.27Å; F62-F66 HydrophobicContact CB-CE2 3.97Å; F62-F66 HydrophobicContact CD1-CE2 4.2Å; F62-F66 HydrophobicContact CD1-CZ 4.32Å; F62-F66 HydrophobicContact CG-CE2 4.39Å; F62-F66 WeakPolarHBondContact O-CD2 3.24Å; F62-F66 WeakPolarHBondContact O-CG 3.49Å; F62-F66 PolarHBondContact O-N 3.42Å; A63-F66 PolarHBondContact O-N 3.34Å; A64-F66 PolarHBondContact O-N 2.83Å; F66-V78 HydrophobicContact CE1-CG2 4.41Å
67	T	81.5	Confident	78.9	Confident	114 Å²	114	63.8 Å²	63.8	70%	0.699	40%	0.395	S	S	*	.	H	α-helix	trans	-99	-21.8	-178.8	65.1	0	0	0	0	114	A63 G69	A63-T67 VanDerWaalsContact O-CB 3.31Å; A63-T67 WeakPolarHBondContact O-CB 3.43Å; A63-T67 WeakPolarHBondContact O-CG2 3.45Å; A63-T67 PolarHBondContact O-N 2.78Å; A63-T67 PolarHBondContact O-OG1 3.35Å; T67-G69 VanDerWaalsContact C-N 3.26Å; T67-G69 PolarHBondContact O-N 3.28Å; T67-G69 VanDerWaalsContact O-N 3.12Å
68	G	67.5	Low	78.7	Confident	52 Å²	52	60 Å²	60	54%	0.536	36%	0.363	S	S	.	.	S	Bend	trans	-77	10.4	-170.9	0	0	0	0	0	116.9	A64 M70	A64-G68 WeakPolarHBondContact O-CA 3.43Å; A64-G68 PolarHBondContact O-N 3.3Å; G68-M70 PolarHBondContact O-N 3.48Å
69	G	63.3	Low	78.5	Confident	66 Å²	66	60.8 Å²	60.8	68%	0.68	37%	0.367	S	S	*	.			trans	67.4	15	177.3	0	0	0	0	0	115.8	T67	T67-G69 VanDerWaalsContact C-N 3.26Å; T67-G69 PolarHBondContact O-N 3.28Å; T67-G69 VanDerWaalsContact O-N 3.12Å
70	M	65.4	Low	78.2	Confident	86 Å²	86	60.9 Å²	60.9	42%	0.424	37%	0.368	S	S	.	.			trans	-69.4	159.9	176.1	-70.2	-170.3	-92.6	0	0	111.9	L65 G68 E72 S73	L65-M70 HydrophobicContact CD1-CE 4.28Å; G68-M70 PolarHBondContact O-N 3.48Å; M70-E72 PolarHBondContact O-N 3.36Å; M70-S73 VanDerWaalsContact O-CB 3.3Å; M70-S73 WeakPolarHBondContact O-CB 3.39Å; M70-S73 PolarHBondContact O-N 3.27Å; M70-S73 PolarHBondContact O-OG 3.46Å
71	K	61.8	Low	77.9	Confident	168 Å²	168	63.8 Å²	63.8	73%	0.73	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.7	-179.8	-80.3	-176.6	177.3	177.1	0	113.2	S73 S74 K75	K71-S73 VanDerWaalsContact C-N 3.35Å; K71-S74 PolarHBondContact O-OG 3.39Å; K71-K75 WeakPolarHBondContact O-CG 3.43Å
72	E	65.6	Low	77.5	Confident	53 Å²	53	64.7 Å²	64.7	25%	0.248	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.8	179.7	-69.6	57.2	-128.7	0	0	111.9	L65 M70 S74 K75	L65-E72 HydrophobicContact CD1-CB 4.04Å; L65-E72 HydrophobicContact CD1-CG 4.45Å; M70-E72 PolarHBondContact O-N 3.36Å; E72-S74 PolarHBondContact O-N 3.01Å; E72-K75 PolarHBondContact O-N 3.15Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 PolarHBondContact OE1-NZ 2.94Å
73	S	65.3	Low	77.6	Confident	36 Å²	36	65.6 Å²	65.6	25%	0.252	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.2	178.1	64.9	0	0	0	0	112.6	R52 M70 K71	R52-S73 PolarHBondContact NH1-O 3.04Å; R52-S73 PolarHBondContact NH2-O 3.29Å; M70-S73 VanDerWaalsContact O-CB 3.3Å; M70-S73 WeakPolarHBondContact O-CB 3.39Å; M70-S73 PolarHBondContact O-N 3.27Å; M70-S73 PolarHBondContact O-OG 3.46Å; K71-S73 VanDerWaalsContact C-N 3.35Å
74	S	64.3	Low	77.7	Confident	100 Å²	100	70.1 Å²	70.1	70%	0.699	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	2.7	-178.5	51.1	0	0	0	0	114.6	K71 E72	K71-S74 PolarHBondContact O-OG 3.39Å; E72-S74 PolarHBondContact O-N 3.01Å
75	K	73.9	Confident	77.9	Confident	90 Å²	90	68.4 Å²	68.4	39%	0.391	42%	0.415	S	S	.	.			trans	-94	136.9	176.6	-69.9	174.3	-170.9	164.7	0	110.9	R52 K71 E72 V77	R52-K75 PolarHBondContact NH2-O 3.4Å; K71-K75 WeakPolarHBondContact O-CG 3.43Å; E72-K75 PolarHBondContact O-N 3.15Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 PolarHBondContact OE1-NZ 2.94Å; K75-V77 VanDerWaalsContact C-N 3.3Å
76	D	74.6	Confident	78.2	Confident	120 Å²	120	69.7 Å²	69.7	64%	0.642	43%	0.431	S	S	*	.	S	Bend	trans	-72.6	-24.7	174.1	-68.2	-25.4	0	0	0	112.8	Q40	Q40-D76 PolarHBondContact N-O 3.05Å
77	V	84.9	Confident	78.6	Confident	58 Å²	58	68.9 Å²	68.9	35%	0.352	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	178.6	-173.4	0	0	0	0	110.1	Q40 Q42 K75	Q40-V77 HydrophobicContact CB-CG2 4.31Å; Q40-V77 CarbonylContact O-C 3.59Å; Q40-V77 VanDerWaalsContact O-CA 3.31Å; Q40-V77 WeakPolarHBondContact O-CA 3.48Å; Q42-V77 HydrophobicContact CB-CG1 4.04Å; K75-V77 VanDerWaalsContact C-N 3.3Å
78	V	85.3	Confident	79.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.1	-179	178.5	0	0	0	0	109.2	V39 Q40 L41 Q42 L65 F66	V39-V78 HydrophobicContact CG2-CG2 4.05Å; Q40-V78 PolarHBondContact O-N 2.8Å; L41-V78 CarbonylContact C-O 3.53Å; L41-V78 WeakPolarHBondContact CA-O 3.27Å; L41-V78 HydrophobicContact CD2-CB 3.95Å; L41-V78 HydrophobicContact CD2-CG1 4.35Å; Q42-V78 PolarHBondContact N-O 3.41Å; L65-V78 HydrophobicContact CD2-CG1 3.8Å; F66-V78 HydrophobicContact CE1-CG2 4.41Å
79	P	85.4	Confident	80.3	Confident	68 Å²	68	64 Å²	64	44%	0.442	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.8	177	30.9	-32.2	0	0	0	111.2	Q42	Q42-P79 CarbonylContact O-C 3.59Å; Q42-P79 WeakPolarHBondContact O-CA 3.46Å
80	I	86.5	Confident	81.8	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.1	169.4	-54.9	178	0	0	0	107.3	L41 Q42 V43 F62 I83 F88	L41-I80 HydrophobicContact CB-CD1 4.24Å; L41-I80 HydrophobicContact CD1-CD1 4.11Å; L41-I80 HydrophobicContact CD2-CD1 4.32Å; L41-I80 HydrophobicContact CG-CD1 4.46Å; Q42-I80 PolarHBondContact O-N 2.95Å; V43-I80 HydrophobicContact CG2-CB 4.1Å; V43-I80 HydrophobicContact CG2-CD1 4.4Å; F62-I80 HydrophobicContact CE1-CD1 4.01Å; F62-I80 HydrophobicContact CZ-CD1 3.97Å; I80-I83 HydrophobicContact CG2-CD1 3.85Å; I80-I83 HydrophobicContact CG2-CG1 4.27Å; I80-F88 HydrophobicContact CD1-CD2 4.22Å; I80-F88 HydrophobicContact CD1-CE1 4.41Å; I80-F88 HydrophobicContact CD1-CE2 3.38Å; I80-F88 HydrophobicContact CD1-CZ 3.52Å
81	L	84.9	Confident	83.2	Confident	136 Å²	136	58.7 Å²	58.7	71%	0.712	34%	0.341	S	S	*	.			trans	-103.3	145.9	-176.8	-59.5	175.1	0	0	0	109.7	M116	L81-M116 WeakPolarHBondContact O-CE 3.46Å
82	G	82.7	Confident	84.6	Confident	86 Å²	86	50.7 Å²	50.7	89%	0.887	31%	0.306	S	S	*	.	S	Bend	trans	86.4	5.4	172.2	0	0	0	0	0	116.1
83	I	91	Very high	85.9	Confident	18 Å²	18	50.7 Å²	50.7	9%	0.092	31%	0.307	C	S	.	.	S	Bend	trans	-119.1	137.8	175.5	-52.5	179.9	0	0	0	109.3	V43 I80 I87 F88 A113 M116 L117	V43-I83 HydrophobicContact CG1-CB 4.48Å; V43-I83 WeakPolarHBondContact CG1-O 3.49Å; I80-I83 HydrophobicContact CG2-CD1 3.85Å; I80-I83 HydrophobicContact CG2-CG1 4.27Å; I83-I87 HydrophobicContact CG2-CB 4.41Å; I83-I87 HydrophobicContact CG2-CG2 4.41Å; I83-F88 HydrophobicContact CD1-CD2 4.42Å; I83-F88 HydrophobicContact CG2-CB 3.93Å; I83-F88 HydrophobicContact CG2-CD2 4.45Å; I83-A113 HydrophobicContact CD1-CB 4.09Å; I83-A113 HydrophobicContact CG1-CB 4.19Å; I83-A113 HydrophobicContact CG2-CB 3.83Å; I83-M116 HydrophobicContact CD1-SD 3.93Å; I83-M116 HydrophobicContact CG1-SD 3.92Å; I83-L117 HydrophobicContact CD1-CD1 4.03Å; I83-L117 HydrophobicContact CD1-CD2 4.2Å; I83-L117 HydrophobicContact CD1-CG 3.98Å
84	E	90.7	Very high	87.3	Confident	124 Å²	124	50.4 Å²	50.4	58%	0.579	30%	0.302	S	S	*	.			trans	-72.4	140.2	171.4	-174.1	171	166.8	0	0	111.1	G86 I87 F88	E84-G86 VanDerWaalsContact C-N 3.27Å; E84-G86 PolarHBondContact O-N 2.87Å; E84-I87 HydrophobicContact CB-CG1 4.37Å; E84-I87 PolarHBondContact O-N 3.23Å; E84-F88 PolarHBondContact O-N 3.19Å
85	A	90.8	Very high	88.6	Confident	15 Å²	15	46.1 Å²	46.1	12%	0.124	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-36.9	-176.2	0	0	0	0	0	113.2	E46 F48 F88 Q89	E46-A85 HydrophobicContact CB-CB 4.02Å; E46-A85 HydrophobicContact CG-CB 4.01Å; E46-A85 WeakPolarHBondContact OE2-CB 3.39Å; F48-A85 HydrophobicContact CE2-CB 4.32Å; F48-A85 HydrophobicContact CZ-CB 4.22Å; A85-F88 PolarHBondContact O-N 2.99Å; A85-Q89 WeakPolarHBondContact O-CB 3.46Å; A85-Q89 PolarHBondContact O-N 3.1Å
86	G	91.4	Very high	89.4	Confident	40 Å²	40	41.9 Å²	41.9	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-44.7	176.7	0	0	0	0	0	113.4	E84 Q89 I90	E84-G86 VanDerWaalsContact C-N 3.27Å; E84-G86 PolarHBondContact O-N 2.87Å; G86-Q89 PolarHBondContact O-N 3.17Å; G86-I90 WeakPolarHBondContact O-CG1 3.37Å; G86-I90 PolarHBondContact O-N 3.2Å
87	I	93.3	Very high	90.1	Very high	11 Å²	11	38.9 Å²	38.9	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-41.7	176.2	-60.1	-61.8	0	0	0	110.6	I83 E84 Q89 I90 L91 N106 E109 L110 A113	I83-I87 HydrophobicContact CG2-CB 4.41Å; I83-I87 HydrophobicContact CG2-CG2 4.41Å; E84-I87 HydrophobicContact CB-CG1 4.37Å; E84-I87 PolarHBondContact O-N 3.23Å; I87-Q89 VanDerWaalsContact C-N 3.3Å; I87-Q89 PolarHBondContact O-N 2.85Å; I87-I90 WeakPolarHBondContact O-CB 3.14Å; I87-I90 PolarHBondContact O-N 2.75Å; I87-I90 VanDerWaalsContact O-N 3.15Å; I87-L91 HydrophobicContact CG2-CD1 4.35Å; I87-L91 PolarHBondContact O-N 3.04Å; I87-N106 HydrophobicContact CD1-CB 3.9Å; I87-E109 HydrophobicContact CD1-CB 4.11Å; I87-E109 HydrophobicContact CG1-CB 3.98Å; I87-E109 WeakPolarHBondContact CG1-OE2 3.47Å; I87-L110 HydrophobicContact CG2-CB 4.44Å; I87-L110 HydrophobicContact CG2-CD1 3.94Å; I87-A113 HydrophobicContact CG2-CB 3.78Å
88	F	93.7	Very high	90.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-39.7	177.3	-171.7	-99.5	0	0	0	112.2	L41 V43 F48 F62 I80 I83 E84 A85 I90 L91 L92 L117	L41-F88 HydrophobicContact CB-CE1 4.36Å; L41-F88 HydrophobicContact CB-CZ 4.48Å; L41-F88 HydrophobicContact CD1-CE1 3.94Å; L41-F88 HydrophobicContact CD1-CZ 3.52Å; V43-F88 HydrophobicContact CG1-CB 4.22Å; V43-F88 HydrophobicContact CG1-CG 4.48Å; V43-F88 HydrophobicContact CG2-CB 4.35Å; V43-F88 HydrophobicContact CG2-CD1 3.62Å; V43-F88 HydrophobicContact CG2-CD2 4.29Å; V43-F88 HydrophobicContact CG2-CE1 4Å; V43-F88 HydrophobicContact CG2-CG 3.8Å; F48-F88 HydrophobicContact CB-CE1 4.34Å; F48-F88 AromaticContact CD2-CD1 3.73Å; F48-F88 HydrophobicContact CD2-CD1 3.73Å; F48-F88 HydrophobicContact CD2-CE1 4.02Å; F48-F88 AromaticContact CE2-CD1 3.93Å; F48-F88 HydrophobicContact CE2-CD1 3.93Å; F48-F88 HydrophobicContact CG-CD1 4.17Å; F48-F88 HydrophobicContact CG-CE1 4.22Å; F62-F88 HydrophobicContact CZ-CE2 4.3Å; F62-F88 HydrophobicContact CZ-CZ 4.42Å; I80-F88 HydrophobicContact CD1-CD2 4.22Å; I80-F88 HydrophobicContact CD1-CE1 4.41Å; I80-F88 HydrophobicContact CD1-CE2 3.38Å; I80-F88 HydrophobicContact CD1-CZ 3.52Å; I83-F88 HydrophobicContact CD1-CD2 4.42Å; I83-F88 HydrophobicContact CG2-CB 3.93Å; I83-F88 HydrophobicContact CG2-CD2 4.45Å; E84-F88 PolarHBondContact O-N 3.19Å; A85-F88 PolarHBondContact O-N 2.99Å; F88-I90 VanDerWaalsContact C-N 3.33Å; F88-I90 PolarHBondContact O-N 3.4Å; F88-L91 PolarHBondContact O-N 3.34Å; F88-L92 HydrophobicContact CE1-CB 4.3Å; F88-L92 HydrophobicContact CE1-CD2 3.98Å; F88-L92 VanDerWaalsContact O-CB 3.27Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 2.96Å; F88-L117 HydrophobicContact CD2-CD1 4.13Å; F88-L117 HydrophobicContact CE2-CD1 3.84Å
89	Q	92.5	Very high	90.5	Very high	61 Å²	61	44.4 Å²	44.4	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-42.9	174.6	178	63.6	31.8	0	0	111.6	F48 A85 G86 I87 L92 D93	F48-Q89 VanDerWaalsContact CD1-OE1 3.24Å; F48-Q89 HydrophobicContact CE1-CB 4.13Å; F48-Q89 HydrophobicContact CZ-CB 4.45Å; A85-Q89 WeakPolarHBondContact O-CB 3.46Å; A85-Q89 PolarHBondContact O-N 3.1Å; G86-Q89 PolarHBondContact O-N 3.17Å; I87-Q89 VanDerWaalsContact C-N 3.3Å; I87-Q89 PolarHBondContact O-N 2.85Å; Q89-L92 PolarHBondContact O-N 3.06Å; Q89-D93 PolarHBondContact NE2-OD1 2.62Å; Q89-D93 PolarHBondContact NE2-OD2 2.97Å; Q89-D93 WeakPolarHBondContact O-CB 3.25Å; Q89-D93 VanDerWaalsContact O-CG 3.22Å; Q89-D93 PolarHBondContact O-N 3.5Å
90	I	94.1	Very high	90.9	Very high	41 Å²	41	42.3 Å²	42.3	21%	0.21	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-45.5	176.9	-63.6	167.5	0	0	0	110.9	G86 I87 F88 D93 F94 V100 L110	G86-I90 WeakPolarHBondContact O-CG1 3.37Å; G86-I90 PolarHBondContact O-N 3.2Å; I87-I90 WeakPolarHBondContact O-CB 3.14Å; I87-I90 PolarHBondContact O-N 2.75Å; I87-I90 VanDerWaalsContact O-N 3.15Å; F88-I90 VanDerWaalsContact C-N 3.33Å; F88-I90 PolarHBondContact O-N 3.4Å; I90-D93 PolarHBondContact O-N 3.29Å; I90-F94 PolarHBondContact O-N 3.04Å; I90-V100 HydrophobicContact CG2-CG2 3.93Å; I90-L110 HydrophobicContact CG2-CD1 4.12Å
91	L	94.4	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.6	-68	176.6	0	0	0	112.1	I87 F88 D93 F94 I95 L110 A113 A114 L117 L119 V122	I87-L91 HydrophobicContact CG2-CD1 4.35Å; I87-L91 PolarHBondContact O-N 3.04Å; F88-L91 PolarHBondContact O-N 3.34Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-F94 WeakPolarHBondContact O-CB 3.38Å; L91-F94 PolarHBondContact O-N 3.16Å; L91-I95 WeakPolarHBondContact O-CG1 3.47Å; L91-I95 PolarHBondContact O-N 3.05Å; L91-L110 HydrophobicContact CD1-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 3.44Å; L91-L110 VanDerWaalsContact CD2-CD1 3.44Å; L91-L110 HydrophobicContact CD2-CG 4.38Å; L91-L110 HydrophobicContact CG-CD1 3.73Å; L91-A113 HydrophobicContact CD1-CB 3.6Å; L91-A114 HydrophobicContact CD2-CB 4.05Å; L91-L117 HydrophobicContact CD1-CD1 3.95Å; L91-L119 HydrophobicContact CB-CD1 4.25Å; L91-L119 HydrophobicContact CD2-CD1 4.04Å; L91-V122 HydrophobicContact CD2-CB 4.48Å; L91-V122 HydrophobicContact CD2-CG1 3.89Å; L91-V122 HydrophobicContact CD2-CG2 4.38Å
92	L	92.4	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-37.8	177.6	-171.8	59.5	0	0	0	110.9	R31 F48 A50 L55 F88 Q89 I95 Y96	R31-L92 VanDerWaalsContact CZ-CG 3.45Å; R31-L92 VanDerWaalsContact NH2-CG 3.3Å; F48-L92 HydrophobicContact CB-CD2 3.87Å; F48-L92 HydrophobicContact CD1-CD2 4.35Å; F48-L92 HydrophobicContact CG-CD2 4.3Å; A50-L92 HydrophobicContact CB-CD1 4.42Å; L55-L92 HydrophobicContact CD2-CD1 3.7Å; F88-L92 HydrophobicContact CE1-CB 4.3Å; F88-L92 HydrophobicContact CE1-CD2 3.98Å; F88-L92 VanDerWaalsContact O-CB 3.27Å; F88-L92 WeakPolarHBondContact O-CB 3.44Å; F88-L92 PolarHBondContact O-N 2.96Å; Q89-L92 PolarHBondContact O-N 3.06Å; L92-I95 HydrophobicContact CD1-CD1 4.48Å; L92-I95 PolarHBondContact O-N 2.88Å; L92-Y96 HydrophobicContact CD1-CD2 4.27Å; L92-Y96 HydrophobicContact CD1-CE2 3.86Å; L92-Y96 VanDerWaalsContact O-CD2 3.3Å; L92-Y96 WeakPolarHBondContact O-CD2 3.36Å; L92-Y96 PolarHBondContact O-N 2.8Å
93	D	92.2	Very high	91.9	Very high	52 Å²	52	40.3 Å²	40.3	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-36.4	174.2	-69.4	-16.2	0	0	0	111.8	R31 Q89 I90 L91 I95 Y96 T97	R31-D93 IonicContact CZ-OD1 3.84Å; R31-D93 IonicContact NH1-OD1 3.91Å; R31-D93 PolarHBondContact NH1-OD1 3.45Å; R31-D93 IonicContact NH2-OD1 2.71Å; R31-D93 PolarHBondContact NH2-OD1 3.43Å; Q89-D93 PolarHBondContact NE2-OD1 2.62Å; Q89-D93 PolarHBondContact NE2-OD2 2.97Å; Q89-D93 WeakPolarHBondContact O-CB 3.25Å; Q89-D93 VanDerWaalsContact O-CG 3.22Å; Q89-D93 PolarHBondContact O-N 3.5Å; I90-D93 PolarHBondContact O-N 3.29Å; L91-D93 VanDerWaalsContact C-N 3.34Å; D93-I95 VanDerWaalsContact C-N 3.35Å; D93-I95 PolarHBondContact O-N 2.99Å; D93-Y96 PolarHBondContact O-N 2.91Å; D93-T97 VanDerWaalsContact O-CB 3.32Å; D93-T97 WeakPolarHBondContact O-CB 3.49Å; D93-T97 WeakPolarHBondContact O-CG2 3.3Å; D93-T97 PolarHBondContact O-N 2.9Å; D93-T97 PolarHBondContact O-OG1 3.27Å
94	F	93.9	Very high	91.7	Very high	31 Å²	31	44.4 Å²	44.4	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-44.6	170.8	171.8	-96	0	0	0	111.9	I90 L91 Y96 T97 G98 I99 V100 E121 V122	I90-F94 PolarHBondContact O-N 3.04Å; L91-F94 WeakPolarHBondContact O-CB 3.38Å; L91-F94 PolarHBondContact O-N 3.16Å; F94-Y96 PolarHBondContact O-N 3.18Å; F94-Y96 VanDerWaalsContact O-N 3.16Å; F94-T97 PolarHBondContact O-N 2.88Å; F94-G98 WeakPolarHBondContact O-CA 3.41Å; F94-G98 PolarHBondContact O-N 3.1Å; F94-I99 WeakPolarHBondContact CA-O 3.14Å; F94-V100 HydrophobicContact CB-CB 4.37Å; F94-V100 HydrophobicContact CD2-CB 3.83Å; F94-V100 HydrophobicContact CD2-CG1 4.24Å; F94-V100 HydrophobicContact CG-CB 4.39Å; F94-E121 HydrophobicContact CZ-CB 4.2Å; F94-V122 HydrophobicContact CD1-CG2 3.32Å; F94-V122 HydrophobicContact CD2-CG2 4.03Å; F94-V122 HydrophobicContact CE1-CG2 3.27Å; F94-V122 HydrophobicContact CE2-CG2 3.96Å; F94-V122 HydrophobicContact CG-CG2 3.71Å; F94-V122 HydrophobicContact CZ-CG2 3.6Å
95	I	92.3	Very high	91.7	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-35.1	178.3	-71.4	169.1	0	0	0	112.1	V54 L55 F62 L91 L92 D93 L119	V54-I95 HydrophobicContact CG1-CG2 3.76Å; L55-I95 HydrophobicContact CD2-CD1 3.82Å; L55-I95 HydrophobicContact CD2-CG2 4.45Å; F62-I95 HydrophobicContact CE2-CD1 4.43Å; L91-I95 WeakPolarHBondContact O-CG1 3.47Å; L91-I95 PolarHBondContact O-N 3.05Å; L92-I95 HydrophobicContact CD1-CD1 4.48Å; L92-I95 PolarHBondContact O-N 2.88Å; D93-I95 VanDerWaalsContact C-N 3.35Å; D93-I95 PolarHBondContact O-N 2.99Å; I95-L119 HydrophobicContact CD1-CD1 4.36Å; I95-L119 HydrophobicContact CD1-CD2 4.49Å; I95-L119 HydrophobicContact CG1-CD1 4.42Å; I95-L119 HydrophobicContact CG1-CD2 4.25Å
96	Y	90.7	Very high	91.7	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-98.1	-14.3	-176.7	-76.6	-98.6	0	0	0	114.7	L24 I27 N28 R31 H51 V54 L92 D93 F94	L24-Y96 VanDerWaalsContact CD2-C 3.47Å; L24-Y96 WeakPolarHBondContact CD2-O 3.44Å; L24-Y96 WeakPolarHBondContact CG-O 3.14Å; I27-Y96 HydrophobicContact CG2-CD1 3.97Å; I27-Y96 HydrophobicContact CG2-CE1 3.68Å; N28-Y96 HydrophobicContact CB-CD1 4.25Å; N28-Y96 WeakPolarHBondContact OD1-CB 3.47Å; R31-Y96 HydrophobicContact CB-CE1 4.21Å; H51-Y96 PolarHBondContact N-OH 3.45Å; H51-Y96 AromaticContact ND1-CE1 3.61Å; H51-Y96 AromaticContact ND1-CZ 3.78Å; H51-Y96 PolarHBondContact ND1-OH 3.49Å; H51-Y96 VanDerWaalsContact ND1-OH 3.1Å; V54-Y96 HydrophobicContact CB-CE1 4.23Å; V54-Y96 HydrophobicContact CG1-CD1 4.3Å; V54-Y96 HydrophobicContact CG1-CD2 4.45Å; V54-Y96 HydrophobicContact CG1-CE1 3.94Å; V54-Y96 HydrophobicContact CG1-CE2 4.09Å; V54-Y96 HydrophobicContact CG2-CE1 4.13Å; L92-Y96 HydrophobicContact CD1-CD2 4.27Å; L92-Y96 HydrophobicContact CD1-CE2 3.86Å; L92-Y96 VanDerWaalsContact O-CD2 3.3Å; L92-Y96 WeakPolarHBondContact O-CD2 3.36Å; L92-Y96 PolarHBondContact O-N 2.8Å; D93-Y96 PolarHBondContact O-N 2.91Å; F94-Y96 PolarHBondContact O-N 3.18Å; F94-Y96 VanDerWaalsContact O-N 3.16Å
97	T	89.8	Confident	91.7	Very high	58 Å²	58	45.1 Å²	45.1	36%	0.356	26%	0.259	S	S	.	.	H	α-helix	trans	-121.1	-22.8	-175.6	65.2	0	0	0	0	113.9	N28 D93 F94 I99	N28-T97 WeakPolarHBondContact ND2-CG2 3.38Å; D93-T97 VanDerWaalsContact O-CB 3.32Å; D93-T97 WeakPolarHBondContact O-CB 3.49Å; D93-T97 WeakPolarHBondContact O-CG2 3.3Å; D93-T97 PolarHBondContact O-N 2.9Å; D93-T97 PolarHBondContact O-OG1 3.27Å; F94-T97 PolarHBondContact O-N 2.88Å; T97-I99 PolarHBondContact O-N 3.38Å; T97-I99 PolarHBondContact OG1-N 2.99Å; T97-I99 VanDerWaalsContact OG1-N 3.16Å; T97-I99 PolarHBondContact OG1-O 3.5Å
98	G	87.8	Confident	91.6	Very high	48 Å²	48	49.8 Å²	49.8	50%	0.495	28%	0.281	S	S	.	.	S	Bend	trans	71.7	7.2	-168.8	0	0	0	0	0	114	F94	F94-G98 WeakPolarHBondContact O-CA 3.41Å; F94-G98 PolarHBondContact O-N 3.1Å
99	I	89.7	Confident	91.5	Very high	128 Å²	128	54.3 Å²	54.3	66%	0.656	30%	0.302	S	S	*	.			trans	-112.5	130.8	-177.2	-57.3	173.5	0	0	0	108.8	F94 T97	F94-I99 WeakPolarHBondContact CA-O 3.14Å; T97-I99 PolarHBondContact O-N 3.38Å; T97-I99 PolarHBondContact OG1-N 2.99Å; T97-I99 VanDerWaalsContact OG1-N 3.16Å; T97-I99 PolarHBondContact OG1-O 3.5Å
100	V	93.8	Very high	91.5	Very high	25 Å²	25	51.4 Å²	51.4	15%	0.152	29%	0.288	C	S	.	.			trans	-123.3	133.8	175.9	61.6	0	0	0	0	109.6	I90 F94 I102 L110 V122 L125	I90-V100 HydrophobicContact CG2-CG2 3.93Å; F94-V100 HydrophobicContact CB-CB 4.37Å; F94-V100 HydrophobicContact CD2-CB 3.83Å; F94-V100 HydrophobicContact CD2-CG1 4.24Å; F94-V100 HydrophobicContact CG-CB 4.39Å; V100-I102 HydrophobicContact CG1-CD1 3.91Å; V100-I102 HydrophobicContact CG1-CG1 4.02Å; V100-I102 HydrophobicContact CG2-CG1 4.01Å; V100-L110 HydrophobicContact CG2-CD2 3.79Å; V100-V122 HydrophobicContact CG2-CG1 4.2Å; V100-L125 HydrophobicContact CG1-CD1 3.76Å
101	N	91.4	Very high	91.5	Very high	126 Å²	126	49.5 Å²	49.5	67%	0.674	28%	0.279	S	S	*	.			trans	-98.4	101.3	177.7	-171.7	24.4	0	0	0	109.9	N106	N101-N106 PolarHBondContact O-ND2 3.33Å
102	I	92.9	Very high	91.3	Very high	33 Å²	33	53.2 Å²	53.2	17%	0.169	30%	0.301	C	S	.	.			trans	-99.2	131.3	-176.6	-53.8	168.4	0	0	0	108.9	V100 V107 L110 L125 F129	V100-I102 HydrophobicContact CG1-CD1 3.91Å; V100-I102 HydrophobicContact CG1-CG1 4.02Å; V100-I102 HydrophobicContact CG2-CG1 4.01Å; I102-V107 HydrophobicContact CG2-CB 4.03Å; I102-V107 HydrophobicContact CG2-CG2 3.87Å; I102-L110 HydrophobicContact CG1-CD2 4.07Å; I102-L125 HydrophobicContact CD1-CB 3.82Å; I102-F129 HydrophobicContact CG2-CB 4.02Å; I102-F129 HydrophobicContact CG2-CD1 3.68Å; I102-F129 HydrophobicContact CG2-CD2 4.25Å; I102-F129 HydrophobicContact CG2-CE1 4.19Å; I102-F129 HydrophobicContact CG2-CG 3.71Å
103	G	91.4	Very high	91.4	Very high	24 Å²	24	53.5 Å²	53.5	25%	0.247	30%	0.304	C	S	.	.			trans	-143.7	167.6	175.5	0	0	0	0	0	111.9	N105 N106 V107	G103-N105 PolarHBondContact O-N 3.38Å; G103-N105 VanDerWaalsContact O-N 3.16Å; G103-N106 PolarHBondContact N-OD1 3.34Å; G103-N106 PolarHBondContact O-N 3.43Å; G103-N106 PolarHBondContact O-OD1 3.13Å; G103-V107 WeakPolarHBondContact O-CB 3.27Å; G103-V107 PolarHBondContact O-N 3.26Å
104	V	87.4	Confident	91.4	Very high	104 Å²	104	51 Å²	51	63%	0.63	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.5	-174.7	-171.8	0	0	0	0	112.4	F129	V104-F129 HydrophobicContact CG2-CZ 4.29Å
105	N	89.3	Confident	91.3	Very high	161 Å²	161	54 Å²	54	86%	0.861	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-20.3	-175.9	-57.6	-12.5	0	0	0	113.7	G103	G103-N105 PolarHBondContact O-N 3.38Å; G103-N105 VanDerWaalsContact O-N 3.16Å
106	N	91.6	Very high	91.2	Very high	29 Å²	29	57.1 Å²	57.1	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-17	-173.3	72.9	5.7	0	0	0	113.6	I87 N101 G103 Q108 E109 L110	I87-N106 HydrophobicContact CD1-CB 3.9Å; N101-N106 PolarHBondContact O-ND2 3.33Å; G103-N106 PolarHBondContact N-OD1 3.34Å; G103-N106 PolarHBondContact O-N 3.43Å; G103-N106 PolarHBondContact O-OD1 3.13Å; N106-Q108 VanDerWaalsContact C-N 3.34Å; N106-Q108 PolarHBondContact O-N 3.37Å; N106-E109 PolarHBondContact O-N 3.31Å; N106-L110 WeakPolarHBondContact O-CB 3.33Å; N106-L110 PolarHBondContact O-N 3.33Å
107	V	91.6	Very high	91.3	Very high	4 Å²	4	57 Å²	57	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-59.3	-39.6	-169.6	64.4	0	0	0	0	113.5	I102 G103 L110 I111 C126 F129 L130	I102-V107 HydrophobicContact CG2-CB 4.03Å; I102-V107 HydrophobicContact CG2-CG2 3.87Å; G103-V107 WeakPolarHBondContact O-CB 3.27Å; G103-V107 PolarHBondContact O-N 3.26Å; V107-L110 PolarHBondContact O-N 3.22Å; V107-I111 HydrophobicContact CG2-CD1 4.01Å; V107-I111 VanDerWaalsContact O-CG1 3.28Å; V107-I111 WeakPolarHBondContact O-CG1 3.5Å; V107-I111 PolarHBondContact O-N 2.59Å; V107-C126 HydrophobicContact CG2-CB 3.9Å; V107-F129 HydrophobicContact CB-CD1 4.43Å; V107-F129 HydrophobicContact CG2-CD1 4.12Å; V107-L130 HydrophobicContact CG1-CD2 3.87Å; V107-L130 HydrophobicContact CG2-CD1 4.25Å; V107-L130 HydrophobicContact CG2-CD2 4.17Å; V107-L130 HydrophobicContact CG2-CG 3.94Å
108	Q	90.4	Very high	91.4	Very high	108 Å²	108	59 Å²	59	51%	0.505	33%	0.328	S	S	.	.	H	α-helix	trans	-66.1	-51.3	-178.5	-68.8	-178.7	-10.5	0	0	111.5	N106 L110 I111 V112 F145	N106-Q108 VanDerWaalsContact C-N 3.34Å; N106-Q108 PolarHBondContact O-N 3.37Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.89Å; Q108-I111 PolarHBondContact O-N 3.49Å; Q108-V112 WeakPolarHBondContact O-CG2 3.4Å; Q108-V112 PolarHBondContact O-N 3.12Å; Q108-F145 HydrophobicContact CB-CE2 3.96Å; Q108-F145 HydrophobicContact CB-CZ 3.97Å; Q108-F145 HydrophobicContact CG-CD2 4.41Å; Q108-F145 HydrophobicContact CG-CE1 4.39Å; Q108-F145 HydrophobicContact CG-CE2 4.15Å; Q108-F145 HydrophobicContact CG-CZ 4.14Å
109	E	91.4	Very high	91.7	Very high	98 Å²	98	57.1 Å²	57.1	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-36.5	178.2	-63.1	178.8	-177.6	0	0	111.7	I87 N106 V112 A113	I87-E109 HydrophobicContact CD1-CB 4.11Å; I87-E109 HydrophobicContact CG1-CB 3.98Å; I87-E109 WeakPolarHBondContact CG1-OE2 3.47Å; N106-E109 PolarHBondContact O-N 3.31Å; E109-V112 PolarHBondContact O-N 3.25Å; E109-A113 VanDerWaalsContact O-CB 3.27Å; E109-A113 WeakPolarHBondContact O-CB 3.31Å; E109-A113 PolarHBondContact O-N 3.29Å
110	L	93.9	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-41.3	177.6	-173	66.6	0	0	0	111.9	I87 I90 L91 V100 I102 N106 V107 Q108 A114 V122	I87-L110 HydrophobicContact CG2-CB 4.44Å; I87-L110 HydrophobicContact CG2-CD1 3.94Å; I90-L110 HydrophobicContact CG2-CD1 4.12Å; L91-L110 HydrophobicContact CD1-CD1 4.44Å; L91-L110 HydrophobicContact CD2-CD1 3.44Å; L91-L110 VanDerWaalsContact CD2-CD1 3.44Å; L91-L110 HydrophobicContact CD2-CG 4.38Å; L91-L110 HydrophobicContact CG-CD1 3.73Å; V100-L110 HydrophobicContact CG2-CD2 3.79Å; I102-L110 HydrophobicContact CG1-CD2 4.07Å; N106-L110 WeakPolarHBondContact O-CB 3.33Å; N106-L110 PolarHBondContact O-N 3.33Å; V107-L110 PolarHBondContact O-N 3.22Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 2.89Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.38Å; L110-V122 HydrophobicContact CD2-CG1 4.39Å; L110-V122 HydrophobicContact CG-CG1 4.18Å
111	I	92.3	Very high	91.7	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-50.2	175.1	-73.4	166.2	0	0	0	110.6	V107 Q108 A113 A114 D115 V123 C126 L130 F145 I149	V107-I111 HydrophobicContact CG2-CD1 4.01Å; V107-I111 VanDerWaalsContact O-CG1 3.28Å; V107-I111 WeakPolarHBondContact O-CG1 3.5Å; V107-I111 PolarHBondContact O-N 2.59Å; Q108-I111 PolarHBondContact O-N 3.49Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.61Å; I111-A114 PolarHBondContact O-N 2.92Å; I111-D115 WeakPolarHBondContact O-CB 3.46Å; I111-D115 PolarHBondContact O-N 3.39Å; I111-V123 HydrophobicContact CG2-CG1 4.47Å; I111-C126 HydrophobicContact CD1-CB 3.62Å; I111-C126 HydrophobicContact CG1-CB 3.24Å; I111-L130 HydrophobicContact CD1-CD1 3.58Å; I111-F145 HydrophobicContact CB-CE1 4.49Å; I111-F145 HydrophobicContact CB-CZ 4.25Å; I111-F145 HydrophobicContact CD1-CE1 3.83Å; I111-F145 HydrophobicContact CD1-CZ 4.36Å; I111-F145 HydrophobicContact CG2-CE1 4.41Å; I111-F145 HydrophobicContact CG2-CZ 4.28Å; I111-I149 HydrophobicContact CG2-CD1 3.73Å; I111-I149 HydrophobicContact CG2-CG2 4.38Å
112	V	91.8	Very high	91.8	Very high	78 Å²	78	54.7 Å²	54.7	47%	0.473	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-43	-178	176.2	0	0	0	0	110.8	Q108 E109 M116 F145 I149	Q108-V112 WeakPolarHBondContact O-CG2 3.4Å; Q108-V112 PolarHBondContact O-N 3.12Å; E109-V112 PolarHBondContact O-N 3.25Å; V112-M116 WeakPolarHBondContact O-CB 3.39Å; V112-M116 PolarHBondContact O-N 3.03Å; V112-F145 HydrophobicContact CG2-CE2 4.23Å; V112-F145 HydrophobicContact CG2-CZ 4.33Å; V112-I149 HydrophobicContact CG2-CG2 4.13Å
113	A	93.1	Very high	91.8	Very high	6 Å²	6	54.1 Å²	54.1	5%	0.05	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-39.5	177.4	0	0	0	0	0	112.7	I83 I87 L91 E109 I111 L117	I83-A113 HydrophobicContact CD1-CB 4.09Å; I83-A113 HydrophobicContact CG1-CB 4.19Å; I83-A113 HydrophobicContact CG2-CB 3.83Å; I87-A113 HydrophobicContact CG2-CB 3.78Å; L91-A113 HydrophobicContact CD1-CB 3.6Å; E109-A113 VanDerWaalsContact O-CB 3.27Å; E109-A113 WeakPolarHBondContact O-CB 3.31Å; E109-A113 PolarHBondContact O-N 3.29Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.61Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 WeakPolarHBondContact O-CG 3.11Å; A113-L117 PolarHBondContact O-N 3.48Å
114	A	93.2	Very high	91.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-42.7	177	0	0	0	0	0	111.8	L91 L110 I111 L117 Q118 L119 V122 V123	L91-A114 HydrophobicContact CD2-CB 4.05Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; L110-A114 PolarHBondContact O-N 3.38Å; I111-A114 PolarHBondContact O-N 2.92Å; A114-L117 CarbonylContact O-C 3.59Å; A114-L117 PolarHBondContact O-N 2.99Å; A114-Q118 PolarHBondContact O-N 3.21Å; A114-L119 HydrophobicContact CB-CB 4.28Å; A114-L119 PolarHBondContact O-N 3.29Å; A114-V122 HydrophobicContact CB-CB 3.91Å; A114-V122 HydrophobicContact CB-CG1 3.85Å; A114-V123 HydrophobicContact CB-CG2 3.74Å
115	D	91.5	Very high	92	Very high	94 Å²	94	56.1 Å²	56.1	50%	0.503	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-45.8	176	-175.6	64.2	0	0	0	111.3	I111 L117 Q118 V123	I111-D115 WeakPolarHBondContact O-CB 3.46Å; I111-D115 PolarHBondContact O-N 3.39Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.47Å; D115-Q118 WeakPolarHBondContact O-CA 3.44Å; D115-Q118 PolarHBondContact O-N 2.96Å; D115-V123 HydrophobicContact CB-CG2 4.16Å
116	M	91.1	Very high	92.2	Very high	73 Å²	73	48.5 Å²	48.5	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-56.2	-42.2	174.6	-179.7	-174.3	164.2	0	0	112.4	L81 I83 V112 Q118	L81-M116 WeakPolarHBondContact O-CE 3.46Å; I83-M116 HydrophobicContact CD1-SD 3.93Å; I83-M116 HydrophobicContact CG1-SD 3.92Å; V112-M116 WeakPolarHBondContact O-CB 3.39Å; V112-M116 PolarHBondContact O-N 3.03Å; M116-Q118 VanDerWaalsContact C-N 3.26Å
117	L	91.8	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.1	176.7	-62.4	-179.2	0	0	0	113.2	S59 Y61 F62 I83 F88 L91 A113 A114 D115 L119	S59-L117 WeakPolarHBondContact CB-O 3.43Å; S59-L117 PolarHBondContact OG-O 3.2Å; Y61-L117 HydrophobicContact CD1-CD2 3.68Å; Y61-L117 HydrophobicContact CE1-CD2 3.77Å; Y61-L117 HydrophobicContact CG-CD2 4.4Å; F62-L117 HydrophobicContact CE1-CD2 4.47Å; F62-L117 HydrophobicContact CE2-CD1 4.34Å; F62-L117 HydrophobicContact CE2-CD2 4.15Å; F62-L117 HydrophobicContact CZ-CD1 4.37Å; F62-L117 HydrophobicContact CZ-CD2 3.8Å; I83-L117 HydrophobicContact CD1-CD1 4.03Å; I83-L117 HydrophobicContact CD1-CD2 4.2Å; I83-L117 HydrophobicContact CD1-CG 3.98Å; F88-L117 HydrophobicContact CD2-CD1 4.13Å; F88-L117 HydrophobicContact CE2-CD1 3.84Å; L91-L117 HydrophobicContact CD1-CD1 3.95Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 WeakPolarHBondContact O-CG 3.11Å; A113-L117 PolarHBondContact O-N 3.48Å; A114-L117 CarbonylContact O-C 3.59Å; A114-L117 PolarHBondContact O-N 2.99Å; D115-L117 VanDerWaalsContact C-N 3.28Å; D115-L117 PolarHBondContact O-N 3.47Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 HydrophobicContact CB-CD1 4.29Å; L117-L119 HydrophobicContact CB-CG 4.26Å; L117-L119 PolarHBondContact O-N 3.43Å
118	Q	92.8	Very high	92.2	Very high	99 Å²	99	51.2 Å²	51.2	46%	0.463	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	38.9	-179.4	-59.9	-177.6	-16.9	0	0	113.9	P60 A114 D115 M116 T120	P60-Q118 WeakPolarHBondContact CD-O 3.28Å; P60-Q118 HydrophobicContact CG-CB 4.36Å; A114-Q118 PolarHBondContact O-N 3.21Å; D115-Q118 WeakPolarHBondContact O-CA 3.44Å; D115-Q118 PolarHBondContact O-N 2.96Å; M116-Q118 VanDerWaalsContact C-N 3.26Å; Q118-T120 PolarHBondContact O-N 3.27Å
119	L	93.6	Very high	92.4	Very high	8 Å²	8	49 Å²	49	4%	0.042	25%	0.25	C	C	.	.			trans	-91.7	75.5	173.2	-66.7	173	0	0	0	110	L91 I95 A114 L117 E121 V122 V123	L91-L119 HydrophobicContact CB-CD1 4.25Å; L91-L119 HydrophobicContact CD2-CD1 4.04Å; I95-L119 HydrophobicContact CD1-CD1 4.36Å; I95-L119 HydrophobicContact CD1-CD2 4.49Å; I95-L119 HydrophobicContact CG1-CD1 4.42Å; I95-L119 HydrophobicContact CG1-CD2 4.25Å; A114-L119 HydrophobicContact CB-CB 4.28Å; A114-L119 PolarHBondContact O-N 3.29Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 HydrophobicContact CB-CD1 4.29Å; L117-L119 HydrophobicContact CB-CG 4.26Å; L117-L119 PolarHBondContact O-N 3.43Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-E121 PolarHBondContact O-N 2.94Å; L119-V122 HydrophobicContact CB-CB 4.36Å; L119-V122 HydrophobicContact CB-CG2 4.17Å; L119-V122 PolarHBondContact O-N 3.33Å; L119-V122 VanDerWaalsContact O-N 3.13Å; L119-V123 PolarHBondContact O-N 2.86Å
120	T	91.6	Very high	92.4	Very high	104 Å²	104	45 Å²	45	64%	0.638	23%	0.231	S	C	*	.	H	α-helix	trans	-58.3	-37.1	-172.4	54.3	0	0	0	0	113.9	Q118 V122 V123 H124	Q118-T120 PolarHBondContact O-N 3.27Å; T120-V122 VanDerWaalsContact C-N 3.33Å; T120-V122 PolarHBondContact O-N 3.29Å; T120-V123 PolarHBondContact O-N 2.82Å; T120-H124 PolarHBondContact O-N 3.33Å
121	E	91.9	Very high	92.3	Very high	124 Å²	124	47.1 Å²	47.1	58%	0.579	24%	0.241	S	C	*	.	H	α-helix	trans	-62.5	-39.5	178.4	-65.2	-59.3	122.8	0	0	112.2	F94 L119 H124 L125	F94-E121 HydrophobicContact CZ-CB 4.2Å; L119-E121 VanDerWaalsContact C-N 3.3Å; L119-E121 PolarHBondContact O-N 2.94Å; E121-H124 PolarHBondContact O-N 2.89Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.42Å
122	V	93.2	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-41.9	177.6	-179.4	0	0	0	0	110.3	L91 F94 V100 L110 A114 L119 T120 H124 L125 C126	L91-V122 HydrophobicContact CD2-CB 4.48Å; L91-V122 HydrophobicContact CD2-CG1 3.89Å; L91-V122 HydrophobicContact CD2-CG2 4.38Å; F94-V122 HydrophobicContact CD1-CG2 3.32Å; F94-V122 HydrophobicContact CD2-CG2 4.03Å; F94-V122 HydrophobicContact CE1-CG2 3.27Å; F94-V122 HydrophobicContact CE2-CG2 3.96Å; F94-V122 HydrophobicContact CG-CG2 3.71Å; F94-V122 HydrophobicContact CZ-CG2 3.6Å; V100-V122 HydrophobicContact CG2-CG1 4.2Å; L110-V122 HydrophobicContact CD2-CG1 4.39Å; L110-V122 HydrophobicContact CG-CG1 4.18Å; A114-V122 HydrophobicContact CB-CB 3.91Å; A114-V122 HydrophobicContact CB-CG1 3.85Å; L119-V122 HydrophobicContact CB-CB 4.36Å; L119-V122 HydrophobicContact CB-CG2 4.17Å; L119-V122 PolarHBondContact O-N 3.33Å; L119-V122 VanDerWaalsContact O-N 3.13Å; T120-V122 VanDerWaalsContact C-N 3.33Å; T120-V122 PolarHBondContact O-N 3.29Å; V122-H124 VanDerWaalsContact C-N 3.31Å; V122-H124 PolarHBondContact O-N 3.03Å; V122-L125 PolarHBondContact O-N 3.22Å; V122-C126 WeakPolarHBondContact O-CB 3.43Å; V122-C126 PolarHBondContact O-N 3.37Å; V122-C126 PolarHBondContact O-SG 2.94Å
123	V	92.1	Very high	92.2	Very high	22 Å²	22	51 Å²	51	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-47.3	174.9	177.7	0	0	0	0	110	I111 A114 D115 L119 T120 L125 C126 C127	I111-V123 HydrophobicContact CG2-CG1 4.47Å; A114-V123 HydrophobicContact CB-CG2 3.74Å; D115-V123 HydrophobicContact CB-CG2 4.16Å; L119-V123 PolarHBondContact O-N 2.86Å; T120-V123 PolarHBondContact O-N 2.82Å; V123-L125 PolarHBondContact O-N 3.26Å; V123-C126 PolarHBondContact O-N 2.84Å; V123-C127 PolarHBondContact O-N 2.74Å; V123-C127 PolarHBondContact O-SG 3.38Å
124	H	91.8	Very high	92.1	Very high	93 Å²	93	52 Å²	52	43%	0.431	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-47.5	178.6	-176.2	63	0	0	0	112.6	T120 E121 V122 C126 C127 E128	T120-H124 PolarHBondContact O-N 3.33Å; E121-H124 PolarHBondContact O-N 2.89Å; V122-H124 VanDerWaalsContact C-N 3.31Å; V122-H124 PolarHBondContact O-N 3.03Å; H124-C126 VanDerWaalsContact C-N 3.31Å; H124-C126 PolarHBondContact O-N 2.93Å; H124-C127 WeakPolarHBondContact O-CB 3.37Å; H124-C127 PolarHBondContact O-N 3.21Å; H124-C127 VanDerWaalsContact O-N 3.15Å; H124-E128 IonicContact CE1-OE1 2.9Å; H124-E128 PolarHBondContact O-N 2.97Å
125	L	92.8	Very high	92	Very high	77 Å²	77	55.3 Å²	55.3	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-40.2	177.3	-70.8	171.5	0	0	0	112.3	V100 I102 E121 V122 V123 E128 F129	V100-L125 HydrophobicContact CG1-CD1 3.76Å; I102-L125 HydrophobicContact CD1-CB 3.82Å; E121-L125 WeakPolarHBondContact O-CG 3.34Å; E121-L125 PolarHBondContact O-N 3.42Å; V122-L125 PolarHBondContact O-N 3.22Å; V123-L125 PolarHBondContact O-N 3.26Å; L125-E128 PolarHBondContact O-N 3.4Å; L125-F129 PolarHBondContact O-N 2.94Å
126	C	92.6	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-37.9	175.4	-67.8	0	0	0	0	112.3	V107 I111 V122 V123 H124 F129 L130	V107-C126 HydrophobicContact CG2-CB 3.9Å; I111-C126 HydrophobicContact CD1-CB 3.62Å; I111-C126 HydrophobicContact CG1-CB 3.24Å; V122-C126 WeakPolarHBondContact O-CB 3.43Å; V122-C126 PolarHBondContact O-N 3.37Å; V122-C126 PolarHBondContact O-SG 2.94Å; V123-C126 PolarHBondContact O-N 2.84Å; H124-C126 VanDerWaalsContact C-N 3.31Å; H124-C126 PolarHBondContact O-N 2.93Å; C126-F129 PolarHBondContact O-N 3.35Å; C126-L130 WeakPolarHBondContact O-CG 3.44Å; C126-L130 PolarHBondContact O-N 3.04Å
127	C	91.8	Very high	91.7	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.034	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-44.4	174	-70.3	0	0	0	0	111.7	V123 H124 F129 L130 K131	V123-C127 PolarHBondContact O-N 2.74Å; V123-C127 PolarHBondContact O-SG 3.38Å; H124-C127 WeakPolarHBondContact O-CB 3.37Å; H124-C127 PolarHBondContact O-N 3.21Å; H124-C127 VanDerWaalsContact O-N 3.15Å; C127-F129 VanDerWaalsContact C-N 3.33Å; C127-F129 PolarHBondContact O-N 3.1Å; C127-L130 PolarHBondContact O-N 3.15Å; C127-K131 WeakPolarHBondContact O-CG 3.34Å; C127-K131 PolarHBondContact O-N 2.91Å
128	E	92.6	Very high	91.7	Very high	85 Å²	85	56.3 Å²	56.3	40%	0.397	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-39.4	176.1	-70.8	-56.7	121.1	0	0	112.1	H124 L125 L130 K131 G132	H124-E128 IonicContact CE1-OE1 2.9Å; H124-E128 PolarHBondContact O-N 2.97Å; L125-E128 PolarHBondContact O-N 3.4Å; E128-L130 PolarHBondContact O-N 2.94Å; E128-K131 PolarHBondContact O-N 3.49Å; E128-K131 WeakPolarHBondContact OE1-CD 3.47Å; E128-K131 IonicContact OE1-NZ 3.7Å; E128-K131 PolarHBondContact OE1-NZ 3.27Å; E128-G132 PolarHBondContact O-N 3.22Å; E128-G132 VanDerWaalsContact O-N 3.1Å
129	F	93.3	Very high	91.6	Very high	62 Å²	62	51.6 Å²	51.6	27%	0.272	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-45.6	172.5	179.7	-96.3	0	0	0	111.9	I102 V104 V107 L125 C126 C127 G132 Q133	I102-F129 HydrophobicContact CG2-CB 4.02Å; I102-F129 HydrophobicContact CG2-CD1 3.68Å; I102-F129 HydrophobicContact CG2-CD2 4.25Å; I102-F129 HydrophobicContact CG2-CE1 4.19Å; I102-F129 HydrophobicContact CG2-CG 3.71Å; V104-F129 HydrophobicContact CG2-CZ 4.29Å; V107-F129 HydrophobicContact CB-CD1 4.43Å; V107-F129 HydrophobicContact CG2-CD1 4.12Å; L125-F129 PolarHBondContact O-N 2.94Å; C126-F129 PolarHBondContact O-N 3.35Å; C127-F129 VanDerWaalsContact C-N 3.33Å; C127-F129 PolarHBondContact O-N 3.1Å; F129-G132 PolarHBondContact O-N 3.43Å; F129-Q133 HydrophobicContact CD1-CG 4.5Å; F129-Q133 HydrophobicContact CE1-CG 4.11Å; F129-Q133 HydrophobicContact CE2-CG 4.36Å; F129-Q133 HydrophobicContact CZ-CG 4.03Å; F129-Q133 WeakPolarHBondContact O-CG 3.45Å; F129-Q133 PolarHBondContact O-N 3.38Å
130	L	91.9	Very high	91.6	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-40.3	177.8	-74.2	175.6	0	0	0	112.6	V107 I111 C126 C127 E128 G132 Q133 I134 F145 L154	V107-L130 HydrophobicContact CG1-CD2 3.87Å; V107-L130 HydrophobicContact CG2-CD1 4.25Å; V107-L130 HydrophobicContact CG2-CD2 4.17Å; V107-L130 HydrophobicContact CG2-CG 3.94Å; I111-L130 HydrophobicContact CD1-CD1 3.58Å; C126-L130 WeakPolarHBondContact O-CG 3.44Å; C126-L130 PolarHBondContact O-N 3.04Å; C127-L130 PolarHBondContact O-N 3.15Å; E128-L130 PolarHBondContact O-N 2.94Å; L130-G132 PolarHBondContact O-N 2.89Å; L130-Q133 PolarHBondContact O-N 3.22Å; L130-Q133 VanDerWaalsContact O-N 3.09Å; L130-I134 PolarHBondContact O-N 3.09Å; L130-F145 HydrophobicContact CD1-CD1 4.49Å; L130-F145 HydrophobicContact CD1-CE1 4.34Å; L130-L154 HydrophobicContact CB-CD1 4.18Å; L130-L154 HydrophobicContact CB-CD2 4.48Å; L130-L154 HydrophobicContact CD1-CD2 3.75Å
131	K	91.8	Very high	91.5	Very high	44 Å²	44	47.4 Å²	47.4	19%	0.191	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-38.1	174.6	-70.6	176.7	-171.9	168.3	0	111.7	C127 E128 Q133 I134 L154 F157	C127-K131 WeakPolarHBondContact O-CG 3.34Å; C127-K131 PolarHBondContact O-N 2.91Å; E128-K131 PolarHBondContact O-N 3.49Å; E128-K131 WeakPolarHBondContact OE1-CD 3.47Å; E128-K131 IonicContact OE1-NZ 3.7Å; E128-K131 PolarHBondContact OE1-NZ 3.27Å; K131-Q133 VanDerWaalsContact C-N 3.28Å; K131-Q133 PolarHBondContact O-N 3.22Å; K131-I134 WeakPolarHBondContact O-CG2 3.48Å; K131-L154 HydrophobicContact CG-CD1 4.02Å; K131-F157 HydrophobicContact CB-CD1 4.19Å; K131-F157 HydrophobicContact CB-CE1 3.82Å; K131-F157 HydrophobicContact CB-CZ 4.15Å; K131-F157 HydrophobicContact CD-CD1 4.39Å; K131-F157 HydrophobicContact CD-CD2 4.39Å; K131-F157 HydrophobicContact CD-CG 4.25Å; K131-F157 HydrophobicContact CG-CD1 3.68Å; K131-F157 HydrophobicContact CG-CE1 3.85Å; K131-F157 HydrophobicContact CG-CG 4.01Å; K131-F157 HydrophobicContact CG-CZ 4.35Å
132	G	91.1	Very high	91.5	Very high	58 Å²	58	42.2 Å²	42.2	60%	0.598	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.4	177.2	0	0	0	0	0	115.3	E128 F129 L130	E128-G132 PolarHBondContact O-N 3.22Å; E128-G132 VanDerWaalsContact O-N 3.1Å; F129-G132 PolarHBondContact O-N 3.43Å; L130-G132 PolarHBondContact O-N 2.89Å
133	Q	90.3	Very high	91.4	Very high	103 Å²	103	42.3 Å²	42.3	48%	0.481	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	9.7	-179.5	-63.4	-61.5	-71.9	0	0	112.7	F129 L130 K131 N138	F129-Q133 HydrophobicContact CD1-CG 4.5Å; F129-Q133 HydrophobicContact CE1-CG 4.11Å; F129-Q133 HydrophobicContact CE2-CG 4.36Å; F129-Q133 HydrophobicContact CZ-CG 4.03Å; F129-Q133 WeakPolarHBondContact O-CG 3.45Å; F129-Q133 PolarHBondContact O-N 3.38Å; L130-Q133 PolarHBondContact O-N 3.22Å; L130-Q133 VanDerWaalsContact O-N 3.09Å; K131-Q133 VanDerWaalsContact C-N 3.28Å; K131-Q133 PolarHBondContact O-N 3.22Å; Q133-N138 PolarHBondContact O-ND2 2.9Å
134	I	91.6	Very high	91.4	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.128	24%	0.235	C	C	.	.			trans	-69.6	135.7	178.5	-157.2	163	0	0	0	110.3	L130 K131 C139 I142 F157 Y161	L130-I134 PolarHBondContact O-N 3.09Å; K131-I134 WeakPolarHBondContact O-CG2 3.48Å; I134-C139 HydrophobicContact CD1-CB 4.04Å; I134-C139 HydrophobicContact CG1-CB 3.83Å; I134-I142 HydrophobicContact CB-CD1 4.49Å; I134-I142 HydrophobicContact CG1-CD1 4.24Å; I134-F157 HydrophobicContact CD1-CD1 4.34Å; I134-F157 HydrophobicContact CD1-CE1 4.27Å; I134-F157 HydrophobicContact CG2-CE1 4Å; I134-Y161 HydrophobicContact CD1-CD1 3.99Å; I134-Y161 HydrophobicContact CD1-CD2 4.43Å; I134-Y161 HydrophobicContact CD1-CG 3.83Å; I134-Y161 HydrophobicContact CG1-CD1 3.99Å; I134-Y161 HydrophobicContact CG1-CE1 4.21Å; I134-Y161 HydrophobicContact CG1-CG 4.17Å; I134-Y161 HydrophobicContact CG2-CD1 4.49Å; I134-Y161 HydrophobicContact CG2-CD2 3.69Å; I134-Y161 HydrophobicContact CG2-CE1 4.42Å; I134-Y161 HydrophobicContact CG2-CE2 3.6Å; I134-Y161 HydrophobicContact CG2-CG 4.15Å
135	D	91.1	Very high	91.3	Very high	71 Å²	71	40 Å²	40	38%	0.38	22%	0.219	S	C	.	.			trans	-141.4	152.2	-178.6	-179.4	-90.9	0	0	0	108.6	L137 N138 C139	D135-L137 PolarHBondContact O-N 2.8Å; D135-L137 WeakPolarHBondContact OD1-CB 3.34Å; D135-L137 WeakPolarHBondContact OD1-CG 3.49Å; D135-L137 PolarHBondContact OD1-N 3.03Å; D135-N138 PolarHBondContact N-OD1 2.93Å; D135-N138 PolarHBondContact O-N 2.95Å; D135-N138 PolarHBondContact O-OD1 3.47Å; D135-C139 WeakPolarHBondContact O-CB 3.49Å; D135-C139 PolarHBondContact O-N 3.25Å
136	P	89.3	Confident	91.2	Very high	15 Å²	15	36.4 Å²	36.4	10%	0.097	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.7	179.3	-27.4	37.5	0	0	0	113.9	C139 Y161 E168 V169	P136-C139 PolarHBondContact O-SG 3.41Å; P136-C139 VanDerWaalsContact O-SG 3.35Å; P136-Y161 WeakPolarHBondContact CD-OH 3.41Å; P136-Y161 HydrophobicContact CG-CE1 4.37Å; P136-E168 HydrophobicContact CB-CB 3.88Å; P136-E168 HydrophobicContact CG-CB 4.31Å; P136-E168 WeakPolarHBondContact CG-OE2 3.25Å; P136-V169 HydrophobicContact CB-CG2 4.18Å
137	L	87.8	Confident	91.1	Very high	122 Å²	122	40.2 Å²	40.2	64%	0.639	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-22.7	179.9	-60.6	176.9	0	0	0	114.6	D135	D135-L137 PolarHBondContact O-N 2.8Å; D135-L137 WeakPolarHBondContact OD1-CB 3.34Å; D135-L137 WeakPolarHBondContact OD1-CG 3.49Å; D135-L137 PolarHBondContact OD1-N 3.03Å
138	N	90.1	Very high	90.9	Very high	51 Å²	51	47.4 Å²	47.4	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-9.2	-176	74.2	13.5	0	0	0	113.9	Q133 D135 I140 G141 I142 E174	Q133-N138 PolarHBondContact O-ND2 2.9Å; D135-N138 PolarHBondContact N-OD1 2.93Å; D135-N138 PolarHBondContact O-N 2.95Å; D135-N138 PolarHBondContact O-OD1 3.47Å; N138-I140 PolarHBondContact O-N 3.19Å; N138-G141 PolarHBondContact O-N 3.24Å; N138-I142 WeakPolarHBondContact O-CG1 3.31Å; N138-I142 PolarHBondContact O-N 3.48Å; N138-E174 WeakPolarHBondContact CA-OE2 3.43Å
139	C	92.1	Very high	90.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-31.4	-171.1	64.4	0	0	0	0	112.8	I134 D135 P136 F143 Y161 I162 V169	I134-C139 HydrophobicContact CD1-CB 4.04Å; I134-C139 HydrophobicContact CG1-CB 3.83Å; D135-C139 WeakPolarHBondContact O-CB 3.49Å; D135-C139 PolarHBondContact O-N 3.25Å; P136-C139 PolarHBondContact O-SG 3.41Å; P136-C139 VanDerWaalsContact O-SG 3.35Å; C139-F143 VanDerWaalsContact O-CB 3.23Å; C139-F143 WeakPolarHBondContact O-CB 3.35Å; C139-F143 PolarHBondContact O-N 3.02Å; C139-Y161 HydrophobicContact CB-CD1 3.82Å; C139-Y161 HydrophobicContact CB-CE1 4.2Å; C139-I162 HydrophobicContact CB-CG1 4.22Å; C139-V169 WeakPolarHBondContact SG-CG2 3.39Å
140	I	92.4	Very high	90.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-43.4	177.9	-62.5	-62.4	0	0	0	110.5	N138 F143 Q144 I162 V169 E174 F175 L178 I186	N138-I140 PolarHBondContact O-N 3.19Å; I140-F143 WeakPolarHBondContact O-CB 3.26Å; I140-F143 PolarHBondContact O-N 2.69Å; I140-Q144 HydrophobicContact CG2-CG 4.47Å; I140-Q144 WeakPolarHBondContact O-CG 3.33Å; I140-Q144 PolarHBondContact O-N 3.16Å; I140-I162 HydrophobicContact CD1-CD1 3.66Å; I140-I162 HydrophobicContact CD1-CG1 3.9Å; I140-I162 HydrophobicContact CD1-CG2 4.27Å; I140-V169 HydrophobicContact CD1-CG1 3.71Å; I140-V169 HydrophobicContact CG1-CG1 3.69Å; I140-E174 HydrophobicContact CB-CB 3.76Å; I140-E174 HydrophobicContact CG1-CB 4.4Å; I140-E174 HydrophobicContact CG2-CB 4.02Å; I140-F175 HydrophobicContact CD1-CD2 4.4Å; I140-L178 HydrophobicContact CD1-CD1 4.28Å; I140-L178 HydrophobicContact CG2-CD2 3.48Å; I140-L178 VanDerWaalsContact CG2-CD2 3.48Å; I140-L178 HydrophobicContact CG2-CG 3.91Å; I140-I186 HydrophobicContact CD1-CD1 4.39Å
141	G	90.5	Very high	89.9	Confident	22 Å²	22	45.4 Å²	45.4	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-45	173.7	0	0	0	0	0	112	N138 F143 Q144 F145 E174	N138-G141 PolarHBondContact O-N 3.24Å; G141-F143 VanDerWaalsContact C-N 3.35Å; G141-F143 PolarHBondContact O-N 3.36Å; G141-Q144 PolarHBondContact O-N 3.22Å; G141-F145 VanDerWaalsContact O-CB 3.31Å; G141-F145 WeakPolarHBondContact O-CB 3.3Å; G141-F145 PolarHBondContact O-N 2.85Å; G141-E174 PolarHBondContact N-OE2 3.11Å
142	I	91.1	Very high	89.7	Confident	15 Å²	15	50 Å²	50	8%	0.077	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-40.9	175.9	-64.3	172.8	0	0	0	111	I134 N138 F145 S146 L154	I134-I142 HydrophobicContact CB-CD1 4.49Å; I134-I142 HydrophobicContact CG1-CD1 4.24Å; N138-I142 WeakPolarHBondContact O-CG1 3.31Å; N138-I142 PolarHBondContact O-N 3.48Å; I142-F145 PolarHBondContact O-N 3.02Å; I142-S146 WeakPolarHBondContact O-CB 3.35Å; I142-S146 PolarHBondContact O-N 2.9Å; I142-S146 PolarHBondContact O-OG 3.5Å; I142-L154 HydrophobicContact CG2-CD1 4.09Å; I142-L154 HydrophobicContact CG2-CD2 4.17Å; I142-L154 HydrophobicContact CG2-CG 4.18Å
143	F	92.4	Very high	89.6	Confident	1 Å²	1	52 Å²	52	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-51	174.8	166.1	-103.8	0	0	0	111.9	C139 I140 G141 F145 S146 E147 L155 E159 I162 Q182	C139-F143 VanDerWaalsContact O-CB 3.23Å; C139-F143 WeakPolarHBondContact O-CB 3.35Å; C139-F143 PolarHBondContact O-N 3.02Å; I140-F143 WeakPolarHBondContact O-CB 3.26Å; I140-F143 PolarHBondContact O-N 2.69Å; G141-F143 VanDerWaalsContact C-N 3.35Å; G141-F143 PolarHBondContact O-N 3.36Å; F143-F145 VanDerWaalsContact C-N 3.3Å; F143-F145 PolarHBondContact O-N 3.13Å; F143-S146 PolarHBondContact O-N 3.06Å; F143-S146 PolarHBondContact O-OG 2.89Å; F143-E147 PolarHBondContact O-N 3.26Å; F143-L155 HydrophobicContact CD2-CD1 3.61Å; F143-L155 HydrophobicContact CE2-CD1 3.43Å; F143-L155 VanDerWaalsContact CE2-CD1 3.43Å; F143-L155 HydrophobicContact CE2-CG 4.45Å; F143-L155 HydrophobicContact CZ-CD1 4.4Å; F143-E159 HydrophobicContact CD2-CG 3.62Å; F143-E159 HydrophobicContact CE2-CG 3.3Å; F143-E159 WeakPolarHBondContact CE2-OE1 3.47Å; F143-E159 HydrophobicContact CZ-CG 4.36Å; F143-I162 HydrophobicContact CB-CD1 3.7Å; F143-I162 HydrophobicContact CD1-CD1 4.33Å; F143-I162 HydrophobicContact CD2-CD1 4.26Å; F143-I162 HydrophobicContact CG-CD1 3.83Å; F143-Q182 HydrophobicContact CE1-CB 4.37Å; F143-Q182 HydrophobicContact CE1-CG 4.21Å
144	Q	91.2	Very high	89.6	Confident	48 Å²	48	47.1 Å²	47.1	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-39.6	177.5	-70.8	-175.6	-35.3	0	0	112	I140 G141 E147 Q148 L178 Q182	I140-Q144 HydrophobicContact CG2-CG 4.47Å; I140-Q144 WeakPolarHBondContact O-CG 3.33Å; I140-Q144 PolarHBondContact O-N 3.16Å; G141-Q144 PolarHBondContact O-N 3.22Å; Q144-E147 PolarHBondContact O-N 2.83Å; Q144-Q148 WeakPolarHBondContact O-CG 3.22Å; Q144-Q148 PolarHBondContact O-N 3.15Å; Q144-L178 HydrophobicContact CG-CD2 4.48Å; Q144-Q182 VanDerWaalsContact NE2-OE1 3.07Å
145	F	90.4	Very high	89.6	Confident	20 Å²	20	47 Å²	47	9%	0.088	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-45.7	175.3	177.8	-107.5	0	0	0	111.5	Q108 I111 V112 L130 G141 I142 F143 E147 Q148 I149	Q108-F145 HydrophobicContact CB-CE2 3.96Å; Q108-F145 HydrophobicContact CB-CZ 3.97Å; Q108-F145 HydrophobicContact CG-CD2 4.41Å; Q108-F145 HydrophobicContact CG-CE1 4.39Å; Q108-F145 HydrophobicContact CG-CE2 4.15Å; Q108-F145 HydrophobicContact CG-CZ 4.14Å; I111-F145 HydrophobicContact CB-CE1 4.49Å; I111-F145 HydrophobicContact CB-CZ 4.25Å; I111-F145 HydrophobicContact CD1-CE1 3.83Å; I111-F145 HydrophobicContact CD1-CZ 4.36Å; I111-F145 HydrophobicContact CG2-CE1 4.41Å; I111-F145 HydrophobicContact CG2-CZ 4.28Å; V112-F145 HydrophobicContact CG2-CE2 4.23Å; V112-F145 HydrophobicContact CG2-CZ 4.33Å; L130-F145 HydrophobicContact CD1-CD1 4.49Å; L130-F145 HydrophobicContact CD1-CE1 4.34Å; G141-F145 VanDerWaalsContact O-CB 3.31Å; G141-F145 WeakPolarHBondContact O-CB 3.3Å; G141-F145 PolarHBondContact O-N 2.85Å; I142-F145 PolarHBondContact O-N 3.02Å; F143-F145 VanDerWaalsContact C-N 3.3Å; F143-F145 PolarHBondContact O-N 3.13Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.38Å; F145-Q148 WeakPolarHBondContact O-CB 3.41Å; F145-Q148 PolarHBondContact O-N 3.36Å; F145-Q148 VanDerWaalsContact O-N 3.09Å; F145-I149 HydrophobicContact CD1-CD1 4.25Å; F145-I149 HydrophobicContact CE1-CD1 3.83Å; F145-I149 HydrophobicContact CE1-CG2 4.31Å; F145-I149 HydrophobicContact CE2-CG2 3.98Å; F145-I149 HydrophobicContact CZ-CD1 4.37Å; F145-I149 HydrophobicContact CZ-CG2 3.85Å; F145-I149 WeakPolarHBondContact O-CG1 3.45Å; F145-I149 PolarHBondContact O-N 3.02Å; F145-I149 VanDerWaalsContact O-N 3.13Å
146	S	90.8	Very high	89.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-33.5	178.7	72.2	0	0	0	0	113	I142 F143 I149 A150 C151 L155	I142-S146 WeakPolarHBondContact O-CB 3.35Å; I142-S146 PolarHBondContact O-N 2.9Å; I142-S146 PolarHBondContact O-OG 3.5Å; F143-S146 PolarHBondContact O-N 3.06Å; F143-S146 PolarHBondContact O-OG 2.89Å; S146-I149 WeakPolarHBondContact O-CG1 3.46Å; S146-A150 PolarHBondContact O-N 2.98Å; S146-A150 VanDerWaalsContact O-N 3.15Å; S146-C151 PolarHBondContact O-N 3.35Å; S146-C151 VanDerWaalsContact O-N 3.16Å; S146-L155 VanDerWaalsContact OG-CA 3.3Å; S146-L155 WeakPolarHBondContact OG-CA 3.39Å; S146-L155 VanDerWaalsContact OG-CD1 3.22Å; S146-L155 WeakPolarHBondContact OG-CD1 3.34Å
147	E	88.9	Confident	89.8	Confident	80 Å²	80	52.7 Å²	52.7	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-68.1	-37.9	174.4	-170.3	173.6	-126.2	0	0	111.7	F143 Q144 F145 A150 L155 Q182	F143-E147 PolarHBondContact O-N 3.26Å; Q144-E147 PolarHBondContact O-N 2.83Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.38Å; E147-A150 PolarHBondContact O-N 2.9Å; E147-L155 HydrophobicContact CB-CD1 4.06Å; E147-Q182 PolarHBondContact OE2-NE2 2.8Å
148	Q	87.5	Confident	90.1	Very high	157 Å²	157	46.9 Å²	46.9	73%	0.734	24%	0.243	S	C	*	.	H	α-helix	trans	-68.1	-40.2	178	-70	171.7	8.5	0	0	112.9	Q144 F145 A150	Q144-Q148 WeakPolarHBondContact O-CG 3.22Å; Q144-Q148 PolarHBondContact O-N 3.15Å; F145-Q148 WeakPolarHBondContact O-CB 3.41Å; F145-Q148 PolarHBondContact O-N 3.36Å; F145-Q148 VanDerWaalsContact O-N 3.09Å; Q148-A150 VanDerWaalsContact C-N 3.27Å
149	I	85.9	Confident	90.2	Very high	32 Å²	32	46.4 Å²	46.4	16%	0.164	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.6	178	64.4	172.5	0	0	0	113	I111 V112 F145 S146 C151	I111-I149 HydrophobicContact CG2-CD1 3.73Å; I111-I149 HydrophobicContact CG2-CG2 4.38Å; V112-I149 HydrophobicContact CG2-CG2 4.13Å; F145-I149 HydrophobicContact CD1-CD1 4.25Å; F145-I149 HydrophobicContact CE1-CD1 3.83Å; F145-I149 HydrophobicContact CE1-CG2 4.31Å; F145-I149 HydrophobicContact CE2-CG2 3.98Å; F145-I149 HydrophobicContact CZ-CD1 4.37Å; F145-I149 HydrophobicContact CZ-CG2 3.85Å; F145-I149 WeakPolarHBondContact O-CG1 3.45Å; F145-I149 PolarHBondContact O-N 3.02Å; F145-I149 VanDerWaalsContact O-N 3.13Å; S146-I149 WeakPolarHBondContact O-CG1 3.46Å; I149-C151 HydrophobicContact CD1-CB 3.48Å; I149-C151 VanDerWaalsContact CD1-CB 3.48Å; I149-C151 HydrophobicContact CG1-CB 3.62Å; I149-C151 PolarHBondContact O-N 3.4Å; I149-C151 VanDerWaalsContact O-N 3.13Å
150	A	85.4	Confident	90.2	Very high	66 Å²	66	49.9 Å²	49.9	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.5	-174.9	0	0	0	0	0	114.1	S146 E147 Q148 H152	S146-A150 PolarHBondContact O-N 2.98Å; S146-A150 VanDerWaalsContact O-N 3.15Å; E147-A150 PolarHBondContact O-N 2.9Å; Q148-A150 VanDerWaalsContact C-N 3.27Å; A150-H152 PolarHBondContact O-N 3.32Å
151	C	85.9	Confident	90.3	Very high	22 Å²	22	52 Å²	52	15%	0.149	27%	0.267	C	S	.	.			trans	-83	98.7	177.5	-178.5	0	0	0	0	109.4	S146 I149 D153 L154 L155	S146-C151 PolarHBondContact O-N 3.35Å; S146-C151 VanDerWaalsContact O-N 3.16Å; I149-C151 HydrophobicContact CD1-CB 3.48Å; I149-C151 VanDerWaalsContact CD1-CB 3.48Å; I149-C151 HydrophobicContact CG1-CB 3.62Å; I149-C151 PolarHBondContact O-N 3.4Å; I149-C151 VanDerWaalsContact O-N 3.13Å; C151-D153 PolarHBondContact O-N 3.2Å; C151-L154 HydrophobicContact CB-CB 4.39Å; C151-L154 PolarHBondContact O-N 3.09Å; C151-L155 VanDerWaalsContact O-CB 3.26Å; C151-L155 WeakPolarHBondContact O-CB 3.23Å; C151-L155 PolarHBondContact O-N 2.86Å
152	H	88	Confident	90.4	Very high	139 Å²	139	51 Å²	51	64%	0.644	26%	0.256	S	S	*	.	H	α-helix	trans	-61.7	-39.9	-175	-68.2	-58.9	0	0	0	113.6	A150 L154 L155 E156	A150-H152 PolarHBondContact O-N 3.32Å; H152-L154 PolarHBondContact O-N 3.38Å; H152-L155 PolarHBondContact O-N 3.45Å; H152-E156 WeakPolarHBondContact O-CB 3.45Å; H152-E156 PolarHBondContact O-N 3.04Å
153	D	89.1	Confident	90.4	Very high	101 Å²	101	51 Å²	51	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-65.1	-41.5	-177.6	-65.2	-4.2	0	0	0	112.5	C151 F157	C151-D153 PolarHBondContact O-N 3.2Å; D153-F157 WeakPolarHBondContact O-CB 3.39Å; D153-F157 PolarHBondContact O-N 3.13Å
154	L	91.1	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-74.8	-35.2	177.4	-175.1	63.4	0	0	0	111.3	L130 K131 I142 C151 H152 S158	L130-L154 HydrophobicContact CB-CD1 4.18Å; L130-L154 HydrophobicContact CB-CD2 4.48Å; L130-L154 HydrophobicContact CD1-CD2 3.75Å; K131-L154 HydrophobicContact CG-CD1 4.02Å; I142-L154 HydrophobicContact CG2-CD1 4.09Å; I142-L154 HydrophobicContact CG2-CD2 4.17Å; I142-L154 HydrophobicContact CG2-CG 4.18Å; C151-L154 HydrophobicContact CB-CB 4.39Å; C151-L154 PolarHBondContact O-N 3.09Å; H152-L154 PolarHBondContact O-N 3.38Å; L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 3.23Å; L154-S158 PolarHBondContact O-OG 3.26Å
155	L	91.4	Very high	90.3	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-51	176.2	-175.5	71.6	0	0	0	111.3	F143 S146 E147 C151 H152 F157 S158 E159	F143-L155 HydrophobicContact CD2-CD1 3.61Å; F143-L155 HydrophobicContact CE2-CD1 3.43Å; F143-L155 VanDerWaalsContact CE2-CD1 3.43Å; F143-L155 HydrophobicContact CE2-CG 4.45Å; F143-L155 HydrophobicContact CZ-CD1 4.4Å; S146-L155 VanDerWaalsContact OG-CA 3.3Å; S146-L155 WeakPolarHBondContact OG-CA 3.39Å; S146-L155 VanDerWaalsContact OG-CD1 3.22Å; S146-L155 WeakPolarHBondContact OG-CD1 3.34Å; E147-L155 HydrophobicContact CB-CD1 4.06Å; C151-L155 VanDerWaalsContact O-CB 3.26Å; C151-L155 WeakPolarHBondContact O-CB 3.23Å; C151-L155 PolarHBondContact O-N 2.86Å; H152-L155 PolarHBondContact O-N 3.45Å; L155-F157 VanDerWaalsContact C-N 3.32Å; L155-F157 PolarHBondContact O-N 3.35Å; L155-S158 PolarHBondContact O-N 3.07Å; L155-S158 PolarHBondContact O-OG 3.42Å; L155-E159 WeakPolarHBondContact O-CB 3.4Å; L155-E159 WeakPolarHBondContact O-CG 3.35Å; L155-E159 PolarHBondContact O-N 3.04Å
156	E	91.6	Very high	90.3	Very high	125 Å²	125	53.5 Å²	53.5	58%	0.584	27%	0.272	S	S	*	.	H	α-helix	trans	-61.3	-42.4	177.9	-178	177.2	-174.3	0	0	111.4	H152 N160	H152-E156 WeakPolarHBondContact O-CB 3.45Å; H152-E156 PolarHBondContact O-N 3.04Å; E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 VanDerWaalsContact O-CG 3.25Å; E156-N160 PolarHBondContact O-N 2.81Å; E156-N160 PolarHBondContact O-ND2 3.44Å; E156-N160 VanDerWaalsContact O-ND2 3.15Å
157	F	92.8	Very high	90.1	Very high	80 Å²	80	56.4 Å²	56.4	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-47.2	178.2	-175.7	-93.8	0	0	0	112.4	K131 I134 D153 L155 N160 Y161	K131-F157 HydrophobicContact CB-CD1 4.19Å; K131-F157 HydrophobicContact CB-CE1 3.82Å; K131-F157 HydrophobicContact CB-CZ 4.15Å; K131-F157 HydrophobicContact CD-CD1 4.39Å; K131-F157 HydrophobicContact CD-CD2 4.39Å; K131-F157 HydrophobicContact CD-CG 4.25Å; K131-F157 HydrophobicContact CG-CD1 3.68Å; K131-F157 HydrophobicContact CG-CE1 3.85Å; K131-F157 HydrophobicContact CG-CG 4.01Å; K131-F157 HydrophobicContact CG-CZ 4.35Å; I134-F157 HydrophobicContact CD1-CD1 4.34Å; I134-F157 HydrophobicContact CD1-CE1 4.27Å; I134-F157 HydrophobicContact CG2-CE1 4Å; D153-F157 WeakPolarHBondContact O-CB 3.39Å; D153-F157 PolarHBondContact O-N 3.13Å; L155-F157 VanDerWaalsContact C-N 3.32Å; L155-F157 PolarHBondContact O-N 3.35Å; F157-N160 PolarHBondContact O-N 3.18Å; F157-Y161 WeakPolarHBondContact O-CB 3.46Å; F157-Y161 PolarHBondContact O-N 3.41Å
158	S	93.4	Very high	90.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-39.9	179	58.2	0	0	0	0	112.3	L154 L155 Y161 I162	L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 3.23Å; L154-S158 PolarHBondContact O-OG 3.26Å; L155-S158 PolarHBondContact O-N 3.07Å; L155-S158 PolarHBondContact O-OG 3.42Å; S158-Y161 PolarHBondContact O-N 3.15Å; S158-I162 WeakPolarHBondContact O-CD1 3.37Å; S158-I162 VanDerWaalsContact O-CG1 3.26Å; S158-I162 WeakPolarHBondContact O-CG1 3.42Å; S158-I162 PolarHBondContact O-N 3.35Å
159	E	92.2	Very high	90.2	Very high	40 Å²	40	50.5 Å²	50.5	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-48.9	172	-77.5	-175.5	-165.5	0	0	111.6	F143 L155 Y161 I162 H163 K185	F143-E159 HydrophobicContact CD2-CG 3.62Å; F143-E159 HydrophobicContact CE2-CG 3.3Å; F143-E159 WeakPolarHBondContact CE2-OE1 3.47Å; F143-E159 HydrophobicContact CZ-CG 4.36Å; L155-E159 WeakPolarHBondContact O-CB 3.4Å; L155-E159 WeakPolarHBondContact O-CG 3.35Å; L155-E159 PolarHBondContact O-N 3.04Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 2.97Å; E159-I162 PolarHBondContact O-N 2.94Å; E159-H163 WeakPolarHBondContact O-CB 3.49Å; E159-H163 PolarHBondContact O-N 3.38Å; E159-H163 PolarHBondContact O-ND1 3.46Å; E159-H163 VanDerWaalsContact O-ND1 3.16Å; E159-K185 WeakPolarHBondContact OE1-CE 3.28Å; E159-K185 IonicContact OE1-NZ 2.66Å; E159-K185 PolarHBondContact OE1-NZ 2.92Å
160	N	92.3	Very high	90.3	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-37.9	178.2	-75.8	-30.3	0	0	0	112.2	E156 F157 H163 V164	E156-N160 WeakPolarHBondContact O-CB 3.46Å; E156-N160 VanDerWaalsContact O-CG 3.25Å; E156-N160 PolarHBondContact O-N 2.81Å; E156-N160 PolarHBondContact O-ND2 3.44Å; E156-N160 VanDerWaalsContact O-ND2 3.15Å; F157-N160 PolarHBondContact O-N 3.18Å; N160-H163 WeakPolarHBondContact O-CB 3.48Å; N160-H163 PolarHBondContact O-N 2.84Å; N160-V164 VanDerWaalsContact O-CG2 3.28Å; N160-V164 WeakPolarHBondContact O-CG2 3.46Å; N160-V164 PolarHBondContact O-N 2.62Å
161	Y	93.5	Very high	90.3	Very high	47 Å²	47	51.1 Å²	51.1	18%	0.184	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-47.6	175.4	-168.8	-87.9	0	0	0	111.7	I134 P136 C139 F157 S158 E159 H163 V164 H165	I134-Y161 HydrophobicContact CD1-CD1 3.99Å; I134-Y161 HydrophobicContact CD1-CD2 4.43Å; I134-Y161 HydrophobicContact CD1-CG 3.83Å; I134-Y161 HydrophobicContact CG1-CD1 3.99Å; I134-Y161 HydrophobicContact CG1-CE1 4.21Å; I134-Y161 HydrophobicContact CG1-CG 4.17Å; I134-Y161 HydrophobicContact CG2-CD1 4.49Å; I134-Y161 HydrophobicContact CG2-CD2 3.69Å; I134-Y161 HydrophobicContact CG2-CE1 4.42Å; I134-Y161 HydrophobicContact CG2-CE2 3.6Å; I134-Y161 HydrophobicContact CG2-CG 4.15Å; P136-Y161 WeakPolarHBondContact CD-OH 3.41Å; P136-Y161 HydrophobicContact CG-CE1 4.37Å; C139-Y161 HydrophobicContact CB-CD1 3.82Å; C139-Y161 HydrophobicContact CB-CE1 4.2Å; F157-Y161 WeakPolarHBondContact O-CB 3.46Å; F157-Y161 PolarHBondContact O-N 3.41Å; S158-Y161 PolarHBondContact O-N 3.15Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 2.97Å; Y161-H163 VanDerWaalsContact C-N 3.26Å; Y161-H163 PolarHBondContact O-N 3.32Å; Y161-V164 PolarHBondContact O-N 2.89Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; Y161-H165 AromaticContact CD2-CD2 3.91Å; Y161-H165 HydrophobicContact CE1-CB 4.35Å; Y161-H165 AromaticContact CE1-CD2 3.78Å; Y161-H165 AromaticContact CE2-CD2 3.6Å; Y161-H165 AromaticContact CE2-NE2 3.78Å; Y161-H165 AromaticContact CZ-CD2 3.54Å; Y161-H165 AromaticContact CZ-NE2 3.97Å; Y161-H165 PolarHBondContact O-N 3.33Å
162	I	93.3	Very high	90.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-42.5	174.9	-67.4	158.6	0	0	0	110.6	C139 I140 F143 S158 E159 F166 V169 I186	C139-I162 HydrophobicContact CB-CG1 4.22Å; I140-I162 HydrophobicContact CD1-CD1 3.66Å; I140-I162 HydrophobicContact CD1-CG1 3.9Å; I140-I162 HydrophobicContact CD1-CG2 4.27Å; F143-I162 HydrophobicContact CB-CD1 3.7Å; F143-I162 HydrophobicContact CD1-CD1 4.33Å; F143-I162 HydrophobicContact CD2-CD1 4.26Å; F143-I162 HydrophobicContact CG-CD1 3.83Å; S158-I162 WeakPolarHBondContact O-CD1 3.37Å; S158-I162 VanDerWaalsContact O-CG1 3.26Å; S158-I162 WeakPolarHBondContact O-CG1 3.42Å; S158-I162 PolarHBondContact O-N 3.35Å; E159-I162 PolarHBondContact O-N 2.94Å; I162-F166 VanDerWaalsContact O-CA 3.25Å; I162-F166 WeakPolarHBondContact O-CA 3.26Å; I162-F166 WeakPolarHBondContact O-CB 3.32Å; I162-F166 PolarHBondContact O-N 3.28Å; I162-V169 HydrophobicContact CG2-CG1 4.37Å; I162-I186 HydrophobicContact CG2-CD1 4.33Å; I162-I186 HydrophobicContact CG2-CG2 4.05Å
163	H	92.1	Very high	90.3	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.06	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-37.5	178.5	-68.5	153.7	0	0	0	113.3	E159 N160 Y161 S189 E191 S193	E159-H163 WeakPolarHBondContact O-CB 3.49Å; E159-H163 PolarHBondContact O-N 3.38Å; E159-H163 PolarHBondContact O-ND1 3.46Å; E159-H163 VanDerWaalsContact O-ND1 3.16Å; N160-H163 WeakPolarHBondContact O-CB 3.48Å; N160-H163 PolarHBondContact O-N 2.84Å; Y161-H163 VanDerWaalsContact C-N 3.26Å; Y161-H163 PolarHBondContact O-N 3.32Å; H163-S189 PolarHBondContact CE1-OG 3.15Å; H163-S189 WeakPolarHBondContact NE2-CB 3.34Å; H163-S189 PolarHBondContact NE2-OG 3.1Å; H163-E191 HydrophobicContact CB-CB 4.47Å; H163-E191 WeakPolarHBondContact CB-O 3.38Å; H163-S193 WeakPolarHBondContact O-CB 3.29Å; H163-S193 PolarHBondContact O-N 2.61Å
164	V	90	Very high	90.2	Very high	66 Å²	66	50 Å²	50	40%	0.4	25%	0.253	S	S	.	.	H	α-helix	trans	-72.8	-45.2	177.4	174.5	0	0	0	0	111.3	N160 Y161 S193	N160-V164 VanDerWaalsContact O-CG2 3.28Å; N160-V164 WeakPolarHBondContact O-CG2 3.46Å; N160-V164 PolarHBondContact O-N 2.62Å; Y161-V164 PolarHBondContact O-N 2.89Å; Y161-V164 VanDerWaalsContact O-N 3.15Å; V164-S193 VanDerWaalsContact O-CB 3.27Å; V164-S193 WeakPolarHBondContact O-CB 3.41Å
165	H	89.8	Confident	90.2	Very high	57 Å²	57	50 Å²	50	26%	0.264	25%	0.253	S	S	.	.	S	Bend	trans	-99.8	24.1	-173.5	-65.5	-79.5	0	0	0	113.5	Y161 L167 E168 V169	Y161-H165 AromaticContact CD2-CD2 3.91Å; Y161-H165 HydrophobicContact CE1-CB 4.35Å; Y161-H165 AromaticContact CE1-CD2 3.78Å; Y161-H165 AromaticContact CE2-CD2 3.6Å; Y161-H165 AromaticContact CE2-NE2 3.78Å; Y161-H165 AromaticContact CZ-CD2 3.54Å; Y161-H165 AromaticContact CZ-NE2 3.97Å; Y161-H165 PolarHBondContact O-N 3.33Å; H165-L167 PolarHBondContact O-N 3.28Å; H165-E168 IonicContact ND1-OE1 2.89Å; H165-E168 PolarHBondContact O-N 2.94Å; H165-V169 HydrophobicContact CB-CG2 4.25Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.39Å
166	F	91.6	Very high	90.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-52.6	-38	-171.3	-178.5	-104.5	0	0	0	114	I162 E168 V169 H170 F175 I186 L187 L192 I194 V200 A203	I162-F166 VanDerWaalsContact O-CA 3.25Å; I162-F166 WeakPolarHBondContact O-CA 3.26Å; I162-F166 WeakPolarHBondContact O-CB 3.32Å; I162-F166 PolarHBondContact O-N 3.28Å; F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.38Å; F166-V169 PolarHBondContact O-N 2.93Å; F166-H170 HydrophobicContact CZ-CB 4.44Å; F166-H170 PolarHBondContact O-CD2 2.94Å; F166-H170 VanDerWaalsContact O-CD2 3.23Å; F166-H170 PolarHBondContact O-N 3.03Å; F166-F175 HydrophobicContact CE2-CE2 4.08Å; F166-F175 HydrophobicContact CE2-CZ 4.28Å; F166-I186 HydrophobicContact CD2-CG2 4.37Å; F166-I186 HydrophobicContact CE2-CG2 4.15Å; F166-L187 HydrophobicContact CE2-CD2 4.29Å; F166-L187 HydrophobicContact CZ-CD2 3.95Å; F166-L192 HydrophobicContact CB-CD2 4.31Å; F166-L192 HydrophobicContact CD2-CD2 3.72Å; F166-L192 HydrophobicContact CE2-CD2 4.18Å; F166-L192 HydrophobicContact CG-CD2 3.97Å; F166-I194 HydrophobicContact CD1-CG2 3.81Å; F166-I194 HydrophobicContact CE1-CG2 4.27Å; F166-V200 HydrophobicContact CE1-CG2 4.39Å; F166-A203 HydrophobicContact CE1-CB 4.2Å; F166-A203 HydrophobicContact CZ-CB 3.73Å
167	L	87.1	Confident	89.9	Confident	60 Å²	60	47.5 Å²	47.5	31%	0.314	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-33.4	179	-61.2	-177.2	0	0	0	113.3	H165 H170 Q199	H165-L167 PolarHBondContact O-N 3.28Å; L167-H170 PolarHBondContact O-CD2 3.35Å; L167-H170 VanDerWaalsContact O-CD2 3.23Å; L167-H170 PolarHBondContact O-NE2 3.01Å; L167-H170 VanDerWaalsContact O-NE2 3.14Å; L167-Q199 HydrophobicContact CD2-CB 4.04Å; L167-Q199 HydrophobicContact CD2-CG 3.94Å
168	E	87.4	Confident	89.8	Confident	111 Å²	111	43.8 Å²	43.8	52%	0.519	24%	0.236	S	C	.	.	H	α-helix	trans	-83	-43.1	177	-63.4	172.6	-125.3	0	0	110.1	P136 H165 F166 H170 S171	P136-E168 HydrophobicContact CB-CB 3.88Å; P136-E168 HydrophobicContact CG-CB 4.31Å; P136-E168 WeakPolarHBondContact CG-OE2 3.25Å; H165-E168 IonicContact ND1-OE1 2.89Å; H165-E168 PolarHBondContact O-N 2.94Å; F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.38Å; E168-H170 PolarHBondContact O-N 3.05Å; E168-S171 PolarHBondContact O-N 3.16Å
169	V	90.6	Very high	89.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-40.3	-175	176.7	0	0	0	0	112.7	P136 C139 I140 I162 H165 F166 S171 G172 F175	P136-V169 HydrophobicContact CB-CG2 4.18Å; C139-V169 WeakPolarHBondContact SG-CG2 3.39Å; I140-V169 HydrophobicContact CD1-CG1 3.71Å; I140-V169 HydrophobicContact CG1-CG1 3.69Å; I162-V169 HydrophobicContact CG2-CG1 4.37Å; H165-V169 HydrophobicContact CB-CG2 4.25Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.39Å; F166-V169 PolarHBondContact O-N 2.93Å; V169-S171 PolarHBondContact O-N 2.89Å; V169-S171 VanDerWaalsContact O-N 3.11Å; V169-G172 PolarHBondContact O-N 3.38Å; V169-F175 HydrophobicContact CG1-CD2 4.25Å; V169-F175 WeakPolarHBondContact O-CB 3.42Å
170	H	87.3	Confident	89.7	Confident	26 Å²	26	47.4 Å²	47.4	12%	0.12	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.7	-176.7	78.8	70.7	0	0	0	113.2	F166 L167 E168 G172 F175 A203 Q206	F166-H170 HydrophobicContact CZ-CB 4.44Å; F166-H170 PolarHBondContact O-CD2 2.94Å; F166-H170 VanDerWaalsContact O-CD2 3.23Å; F166-H170 PolarHBondContact O-N 3.03Å; L167-H170 PolarHBondContact O-CD2 3.35Å; L167-H170 VanDerWaalsContact O-CD2 3.23Å; L167-H170 PolarHBondContact O-NE2 3.01Å; L167-H170 VanDerWaalsContact O-NE2 3.14Å; E168-H170 PolarHBondContact O-N 3.05Å; H170-G172 VanDerWaalsContact C-N 3.31Å; H170-F175 HydrophobicContact CB-CD1 4.31Å; H170-F175 HydrophobicContact CB-CE1 4.19Å; H170-F175 HydrophobicContact CB-CZ 4.3Å; H170-A203 HydrophobicContact CB-CB 3.75Å; H170-Q206 PolarHBondContact ND1-OE1 3.14Å; H170-Q206 PolarHBondContact O-OE1 3.07Å
171	S	86.7	Confident	89.6	Confident	86 Å²	86	49 Å²	49	60%	0.601	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.6	178.1	-58.5	0	0	0	0	112.8	E168 V169	E168-S171 PolarHBondContact O-N 3.16Å; V169-S171 PolarHBondContact O-N 2.89Å; V169-S171 VanDerWaalsContact O-N 3.11Å
172	G	86.8	Confident	89.5	Confident	12 Å²	12	47.7 Å²	47.7	12%	0.124	26%	0.261	C	S	.	.	S	Bend	trans	-76.7	153.3	-177.9	0	0	0	0	0	114.1	V169 H170 F175	V169-G172 PolarHBondContact O-N 3.38Å; H170-G172 VanDerWaalsContact C-N 3.31Å; G172-F175 PolarHBondContact O-N 2.95Å
173	E	85.8	Confident	89.5	Confident	154 Å²	154	47.6 Å²	47.6	72%	0.72	26%	0.26	S	S	*	.	H	α-helix	trans	-68.3	-33.7	176.7	-65.3	-154.5	139.2	0	0	112.9	F175 L176 A177	E173-F175 VanDerWaalsContact C-N 3.25Å; E173-F175 PolarHBondContact O-N 3.01Å; E173-L176 WeakPolarHBondContact O-CB 3.41Å; E173-L176 PolarHBondContact O-N 3.39Å; E173-A177 PolarHBondContact O-N 3.14Å
174	E	88.3	Confident	89.5	Confident	72 Å²	72	47.8 Å²	47.8	34%	0.336	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-35	178.2	-60.8	-166.5	163.3	0	0	111.8	N138 I140 G141 L176 A177 L178	N138-E174 WeakPolarHBondContact CA-OE2 3.43Å; I140-E174 HydrophobicContact CB-CB 3.76Å; I140-E174 HydrophobicContact CG1-CB 4.4Å; I140-E174 HydrophobicContact CG2-CB 4.02Å; G141-E174 PolarHBondContact N-OE2 3.11Å; E174-L176 VanDerWaalsContact C-N 3.28Å; E174-L176 PolarHBondContact O-N 3.23Å; E174-A177 WeakPolarHBondContact O-CB 3.33Å; E174-A177 PolarHBondContact O-N 3.46Å; E174-L178 PolarHBondContact O-N 2.99Å
175	F	90.6	Very high	89.6	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-38.9	174.5	-175.9	-95.3	0	0	0	111.7	I140 F166 V169 H170 G172 E173 A177 L178 L183 A203	I140-F175 HydrophobicContact CD1-CD2 4.4Å; F166-F175 HydrophobicContact CE2-CE2 4.08Å; F166-F175 HydrophobicContact CE2-CZ 4.28Å; V169-F175 HydrophobicContact CG1-CD2 4.25Å; V169-F175 WeakPolarHBondContact O-CB 3.42Å; H170-F175 HydrophobicContact CB-CD1 4.31Å; H170-F175 HydrophobicContact CB-CE1 4.19Å; H170-F175 HydrophobicContact CB-CZ 4.3Å; G172-F175 PolarHBondContact O-N 2.95Å; E173-F175 VanDerWaalsContact C-N 3.25Å; E173-F175 PolarHBondContact O-N 3.01Å; F175-A177 PolarHBondContact O-N 3.36Å; F175-L178 HydrophobicContact CD2-CD1 3.66Å; F175-L178 HydrophobicContact CE2-CD1 3.9Å; F175-L178 HydrophobicContact CG-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 WeakPolarHBondContact O-CD1 3.34Å; F175-L178 WeakPolarHBondContact O-CG 3.21Å; F175-L178 PolarHBondContact O-N 3.33Å; F175-L183 HydrophobicContact CE1-CD1 3.93Å; F175-L183 HydrophobicContact CE2-CD1 4Å; F175-L183 HydrophobicContact CZ-CD1 3.41Å; F175-L183 VanDerWaalsContact CZ-CD1 3.41Å; F175-A203 HydrophobicContact CE1-CB 4.15Å; F175-A203 HydrophobicContact CZ-CB 4.15Å
176	L	88.1	Confident	89.7	Confident	32 Å²	32	46.3 Å²	46.3	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-70.3	-20	176.9	-57.7	176.2	0	0	0	112.7	E173 E174 Q206 K210 R215	E173-L176 WeakPolarHBondContact O-CB 3.41Å; E173-L176 PolarHBondContact O-N 3.39Å; E174-L176 VanDerWaalsContact C-N 3.28Å; E174-L176 PolarHBondContact O-N 3.23Å; L176-Q206 HydrophobicContact CD2-CB 4.18Å; L176-K210 HydrophobicContact CB-CG 4.24Å; L176-K210 HydrophobicContact CD1-CD 4.09Å; L176-K210 HydrophobicContact CD1-CG 4.38Å; L176-R215 PolarHBondContact O-NH1 2.7Å; L176-R215 PolarHBondContact O-NH2 3.45Å
177	A	88.8	Confident	89.7	Confident	63 Å²	63	46.3 Å²	46.3	52%	0.521	25%	0.249	S	C	.	.	H	α-helix	trans	-83.6	-9.7	177	0	0	0	0	0	113.7	E173 E174 F175	E173-A177 PolarHBondContact O-N 3.14Å; E174-A177 WeakPolarHBondContact O-CB 3.33Å; E174-A177 PolarHBondContact O-N 3.46Å; F175-A177 PolarHBondContact O-N 3.36Å
178	L	90.8	Very high	89.9	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.261	C	S	.	.			trans	-54.5	145.8	177.7	-73.8	173.3	0	0	0	112.8	I140 Q144 E174 F175 Q182 L183 I186 W207	I140-L178 HydrophobicContact CD1-CD1 4.28Å; I140-L178 HydrophobicContact CG2-CD2 3.48Å; I140-L178 VanDerWaalsContact CG2-CD2 3.48Å; I140-L178 HydrophobicContact CG2-CG 3.91Å; Q144-L178 HydrophobicContact CG-CD2 4.48Å; E174-L178 PolarHBondContact O-N 2.99Å; F175-L178 HydrophobicContact CD2-CD1 3.66Å; F175-L178 HydrophobicContact CE2-CD1 3.9Å; F175-L178 HydrophobicContact CG-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 WeakPolarHBondContact O-CD1 3.34Å; F175-L178 WeakPolarHBondContact O-CG 3.21Å; F175-L178 PolarHBondContact O-N 3.33Å; L178-Q182 HydrophobicContact CD2-CB 4.05Å; L178-L183 HydrophobicContact CB-CB 4.47Å; L178-L183 HydrophobicContact CD1-CD1 4.25Å; L178-I186 HydrophobicContact CD1-CD1 3.8Å; L178-I186 HydrophobicContact CD2-CD1 4.49Å; L178-W207 PolarHBondContact O-NE1 3.23Å
179	T	91.3	Very high	90.1	Very high	71 Å²	71	46.4 Å²	46.4	44%	0.436	24%	0.244	S	C	.	.			trans	-72.5	160.7	168.7	67.5	0	0	0	0	110.8	D181 Q182 L183	T179-D181 VanDerWaalsContact C-N 3.3Å; T179-D181 PolarHBondContact O-N 3Å; T179-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.13Å; T179-Q182 VanDerWaalsContact OG1-CD 3.23Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.27Å; T179-Q182 PolarHBondContact OG1-N 3.33Å; T179-Q182 PolarHBondContact OG1-OE1 2.94Å; T179-L183 WeakPolarHBondContact O-CB 3.41Å; T179-L183 PolarHBondContact O-N 2.75Å
180	K	91	Very high	89.9	Confident	46 Å²	46	49.1 Å²	49.1	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-54.4	-46.5	178.6	-174.9	-156.3	71.5	171.2	0	111.8	L183 I184 W207 H218 E221 V222	K180-L183 PolarHBondContact O-N 3.42Å; K180-I184 HydrophobicContact CD-CD1 4.32Å; K180-I184 HydrophobicContact CG-CD1 3.92Å; K180-I184 VanDerWaalsContact O-CG1 3.3Å; K180-I184 WeakPolarHBondContact O-CG1 3.42Å; K180-I184 PolarHBondContact O-N 2.93Å; K180-W207 HydrophobicContact CB-CH2 4.18Å; K180-H218 HydrophobicContact CD-CB 3.97Å; K180-H218 WeakPolarHBondContact CD-ND1 3.12Å; K180-H218 HydrophobicContact CG-CB 4.19Å; K180-E221 WeakPolarHBondContact CE-OE2 3.34Å; K180-E221 IonicContact NZ-OE2 2.78Å; K180-E221 PolarHBondContact NZ-OE2 2.78Å; K180-V222 HydrophobicContact CG-CG2 4.24Å
181	D	90.9	Very high	90	Very high	107 Å²	107	51 Å²	51	57%	0.572	27%	0.265	S	S	*	.	H	α-helix	trans	-72.4	-38.7	-174.1	-58.3	-47.9	0	0	0	111.6	T179 I184 K185	T179-D181 VanDerWaalsContact C-N 3.3Å; T179-D181 PolarHBondContact O-N 3Å; D181-I184 PolarHBondContact O-N 2.73Å; D181-K185 WeakPolarHBondContact O-CB 3.38Å; D181-K185 PolarHBondContact O-N 3.45Å
182	Q	91.9	Very high	90.2	Very high	19 Å²	19	46.9 Å²	46.9	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-44.2	172.8	-71.6	168.5	-25.8	0	0	111.7	F143 Q144 E147 L178 T179 K185 I186	F143-Q182 HydrophobicContact CE1-CB 4.37Å; F143-Q182 HydrophobicContact CE1-CG 4.21Å; Q144-Q182 VanDerWaalsContact NE2-OE1 3.07Å; E147-Q182 PolarHBondContact OE2-NE2 2.8Å; L178-Q182 HydrophobicContact CD2-CB 4.05Å; T179-Q182 PolarHBondContact O-N 3.28Å; T179-Q182 WeakPolarHBondContact OG1-CB 3.13Å; T179-Q182 VanDerWaalsContact OG1-CD 3.23Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.27Å; T179-Q182 PolarHBondContact OG1-N 3.33Å; T179-Q182 PolarHBondContact OG1-OE1 2.94Å; Q182-K185 WeakPolarHBondContact O-CB 3.49Å; Q182-K185 PolarHBondContact O-N 2.87Å; Q182-I186 WeakPolarHBondContact O-CG1 3.22Å; Q182-I186 PolarHBondContact O-N 2.9Å; Q182-I186 VanDerWaalsContact O-N 3.07Å
183	L	92.9	Very high	90.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-48.6	177	-179.9	70.9	0	0	0	111.2	F175 L178 T179 K180 K185 I186 L187 W207 V222	F175-L183 HydrophobicContact CE1-CD1 3.93Å; F175-L183 HydrophobicContact CE2-CD1 4Å; F175-L183 HydrophobicContact CZ-CD1 3.41Å; F175-L183 VanDerWaalsContact CZ-CD1 3.41Å; L178-L183 HydrophobicContact CB-CB 4.47Å; L178-L183 HydrophobicContact CD1-CD1 4.25Å; T179-L183 WeakPolarHBondContact O-CB 3.41Å; T179-L183 PolarHBondContact O-N 2.75Å; K180-L183 PolarHBondContact O-N 3.42Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.45Å; L183-I186 PolarHBondContact O-N 3.26Å; L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.46Å; L183-L187 HydrophobicContact CD1-CG 4.03Å; L183-L187 HydrophobicContact CD2-CD1 4.17Å; L183-L187 HydrophobicContact CG-CD1 3.73Å; L183-L187 HydrophobicContact CG-CG 4.11Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.17Å; L183-W207 HydrophobicContact CD2-CB 3.92Å; L183-W207 HydrophobicContact CD2-CD2 3.44Å; L183-W207 VanDerWaalsContact CD2-CD2 3.44Å; L183-W207 HydrophobicContact CD2-CE3 3.72Å; L183-W207 HydrophobicContact CD2-CG 3.53Å; L183-W207 HydrophobicContact CD2-CZ3 4.39Å; L183-V222 HydrophobicContact CD2-CG1 3.75Å; L183-V222 HydrophobicContact CD2-CG2 4.35Å
184	I	92.6	Very high	90.2	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.087	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-38.6	178.9	-70.7	169.6	0	0	0	110.7	K180 D181 L187 R188 E221 P225	K180-I184 HydrophobicContact CD-CD1 4.32Å; K180-I184 HydrophobicContact CG-CD1 3.92Å; K180-I184 VanDerWaalsContact O-CG1 3.3Å; K180-I184 WeakPolarHBondContact O-CG1 3.42Å; K180-I184 PolarHBondContact O-N 2.93Å; D181-I184 PolarHBondContact O-N 2.73Å; I184-L187 PolarHBondContact O-N 3.25Å; I184-R188 WeakPolarHBondContact O-CB 3.25Å; I184-R188 PolarHBondContact O-N 2.88Å; I184-E221 HydrophobicContact CD1-CB 4.1Å; I184-P225 HydrophobicContact CG2-CG 4.05Å
185	K	91.4	Very high	89.6	Confident	88 Å²	88	45.2 Å²	45.2	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-58.6	-48.6	175.4	-178.6	-179.7	171.9	-172.6	0	111.4	E159 D181 Q182 L183 R188 S189	E159-K185 WeakPolarHBondContact OE1-CE 3.28Å; E159-K185 IonicContact OE1-NZ 2.66Å; E159-K185 PolarHBondContact OE1-NZ 2.92Å; D181-K185 WeakPolarHBondContact O-CB 3.38Å; D181-K185 PolarHBondContact O-N 3.45Å; Q182-K185 WeakPolarHBondContact O-CB 3.49Å; Q182-K185 PolarHBondContact O-N 2.87Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 3.45Å; K185-R188 PolarHBondContact O-N 3.23Å; K185-S189 PolarHBondContact O-N 3.42Å
186	I	92.1	Very high	88.9	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-50.7	178	-64.7	165.5	0	0	0	110.6	I140 I162 F166 L178 Q182 L183 R188 S189 L192	I140-I186 HydrophobicContact CD1-CD1 4.39Å; I162-I186 HydrophobicContact CG2-CD1 4.33Å; I162-I186 HydrophobicContact CG2-CG2 4.05Å; F166-I186 HydrophobicContact CD2-CG2 4.37Å; F166-I186 HydrophobicContact CE2-CG2 4.15Å; L178-I186 HydrophobicContact CD1-CD1 3.8Å; L178-I186 HydrophobicContact CD2-CD1 4.49Å; Q182-I186 WeakPolarHBondContact O-CG1 3.22Å; Q182-I186 PolarHBondContact O-N 2.9Å; Q182-I186 VanDerWaalsContact O-N 3.07Å; L183-I186 PolarHBondContact O-N 3.26Å; I186-R188 PolarHBondContact O-N 3.02Å; I186-S189 VanDerWaalsContact O-CB 3.23Å; I186-S189 WeakPolarHBondContact O-CB 3.38Å; I186-S189 PolarHBondContact O-N 2.74Å; I186-S189 VanDerWaalsContact O-N 3.07Å; I186-L192 HydrophobicContact CG2-CD2 4.15Å
187	L	91.8	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-22.2	-177.9	-63.7	-179.8	0	0	0	113.5	F166 L183 I184 V200 A204 V222 P225 R283	F166-L187 HydrophobicContact CE2-CD2 4.29Å; F166-L187 HydrophobicContact CZ-CD2 3.95Å; L183-L187 HydrophobicContact CD1-CD1 3.98Å; L183-L187 HydrophobicContact CD1-CD2 4.46Å; L183-L187 HydrophobicContact CD1-CG 4.03Å; L183-L187 HydrophobicContact CD2-CD1 4.17Å; L183-L187 HydrophobicContact CG-CD1 3.73Å; L183-L187 HydrophobicContact CG-CG 4.11Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.31Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.17Å; I184-L187 PolarHBondContact O-N 3.25Å; L187-V200 HydrophobicContact CD2-CG1 3.74Å; L187-A204 HydrophobicContact CD1-CB 3.88Å; L187-V222 HydrophobicContact CD1-CG1 4.38Å; L187-P225 HydrophobicContact CB-CB 4.08Å; L187-P225 HydrophobicContact CB-CG 4.44Å; L187-R283 VanDerWaalsContact O-CZ 3.26Å; L187-R283 PolarHBondContact O-NH1 3.06Å; L187-R283 PolarHBondContact O-NH2 3.38Å
188	R	91.6	Very high	88.5	Confident	150 Å²	150	44 Å²	44	57%	0.566	21%	0.214	S	C	*	.	H	α-helix	trans	-82.4	-15.7	176.2	-173.4	173.3	-73.1	169.1	-3.1	112.9	I184 K185 I186 E190 D224 P225	I184-R188 WeakPolarHBondContact O-CB 3.25Å; I184-R188 PolarHBondContact O-N 2.88Å; K185-R188 PolarHBondContact O-N 3.23Å; I186-R188 PolarHBondContact O-N 3.02Å; R188-E190 PolarHBondContact O-N 2.78Å; R188-D224 IonicContact NH2-OD2 3.55Å; R188-P225 HydrophobicContact CB-CB 4.34Å
189	S	90.6	Very high	88.3	Confident	22 Å²	22	45.5 Å²	45.5	15%	0.154	22%	0.221	C	C	.	.			trans	-61.5	134.5	-176.6	-177.2	0	0	0	0	112.7	H163 K185 I186 E191 R283	H163-S189 PolarHBondContact CE1-OG 3.15Å; H163-S189 WeakPolarHBondContact NE2-CB 3.34Å; H163-S189 PolarHBondContact NE2-OG 3.1Å; K185-S189 PolarHBondContact O-N 3.42Å; I186-S189 VanDerWaalsContact O-CB 3.23Å; I186-S189 WeakPolarHBondContact O-CB 3.38Å; I186-S189 PolarHBondContact O-N 2.74Å; I186-S189 VanDerWaalsContact O-N 3.07Å; S189-E191 PolarHBondContact OG-N 2.85Å; S189-R283 PolarHBondContact O-NH1 2.8Å
190	E	87.6	Confident	88.3	Confident	60 Å²	60	42.1 Å²	42.1	28%	0.28	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.2	173	-70.7	-68.5	165.2	0	0	112.5	R188 R227 R283 K284 K285	R188-E190 PolarHBondContact O-N 2.78Å; E190-R227 IonicContact OE1-CZ 2.96Å; E190-R227 IonicContact OE1-NH2 3.52Å; E190-R227 PolarHBondContact OE1-NH2 3.17Å; E190-R227 IonicContact OE2-CZ 3.7Å; E190-R227 IonicContact OE2-NH1 2.59Å; E190-R227 IonicContact OE2-NH2 3.66Å; E190-R227 PolarHBondContact OE2-NH2 3.23Å; E190-R283 WeakPolarHBondContact OE2-CA 3.45Å; E190-K284 HydrophobicContact CB-CB 3.88Å; E190-K284 PolarHBondContact O-N 3.2Å; E190-K284 PolarHBondContact OE2-N 3.01Å; E190-K285 PolarHBondContact O-N 3.08Å
191	E	88.8	Confident	88.2	Confident	64 Å²	64	39.9 Å²	39.9	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	11.3	-174.1	-57.4	-61.6	155.7	0	0	112.5	H163 S189 S193 K284 K285	H163-E191 HydrophobicContact CB-CB 4.47Å; H163-E191 WeakPolarHBondContact CB-O 3.38Å; S189-E191 PolarHBondContact OG-N 2.85Å; E191-S193 PolarHBondContact O-N 2.8Å; E191-K284 WeakPolarHBondContact OE1-CD 3.47Å; E191-K284 IonicContact OE1-NZ 3.72Å; E191-K284 PolarHBondContact OE1-NZ 3.4Å; E191-K285 WeakPolarHBondContact O-CD 3.34Å; E191-K285 PolarHBondContact O-NZ 2.66Å
192	L	90.2	Very high	88.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.			trans	-66.6	125.6	173.7	-67.1	175.5	0	0	0	111	F166 I186 I194 V200	F166-L192 HydrophobicContact CB-CD2 4.31Å; F166-L192 HydrophobicContact CD2-CD2 3.72Å; F166-L192 HydrophobicContact CE2-CD2 4.18Å; F166-L192 HydrophobicContact CG-CD2 3.97Å; I186-L192 HydrophobicContact CG2-CD2 4.15Å; L192-I194 HydrophobicContact CB-CG2 4.25Å; L192-I194 PolarHBondContact O-N 3.2Å; L192-V200 HydrophobicContact CD1-CG2 4.48Å
193	S	87.1	Confident	88	Confident	47 Å²	47	36 Å²	36	33%	0.329	17%	0.17	S	C	.	.			trans	-82.3	97.9	173.3	-165.1	0	0	0	0	109.4	H163 V164 E191	H163-S193 WeakPolarHBondContact O-CB 3.29Å; H163-S193 PolarHBondContact O-N 2.61Å; V164-S193 VanDerWaalsContact O-CB 3.27Å; V164-S193 WeakPolarHBondContact O-CB 3.41Å; E191-S193 PolarHBondContact O-N 2.8Å
194	I	85.5	Confident	88	Confident	14 Å²	14	36 Å²	36	7%	0.072	17%	0.17	C	C	.	.			trans	-135.3	154.7	-178.6	61.6	174.7	0	0	0	110.3	F166 L192 V200 R283 A286	F166-I194 HydrophobicContact CD1-CG2 3.81Å; F166-I194 HydrophobicContact CE1-CG2 4.27Å; L192-I194 HydrophobicContact CB-CG2 4.25Å; L192-I194 PolarHBondContact O-N 3.2Å; I194-V200 HydrophobicContact CD1-CG2 3.48Å; I194-V200 VanDerWaalsContact CD1-CG2 3.48Å; I194-V200 HydrophobicContact CG2-CG2 3.94Å; I194-R283 HydrophobicContact CD1-CG 4.32Å; I194-A286 HydrophobicContact CG1-CB 3.86Å
195	E	75.8	Confident	87.8	Confident	143 Å²	143	35.1 Å²	35.1	67%	0.668	17%	0.166	S	C	*	.	S	Bend	trans	-92.9	-42.1	174	-62.8	-178.3	164.9	0	0	111.2
196	D	76.1	Confident	87.7	Confident	41 Å²	41	34.5 Å²	34.5	22%	0.219	17%	0.165	C	C	.	.			trans	-132.8	156.9	175.7	74.5	20.6	0	0	0	111	Y198 Q199 R235	D196-Y198 PolarHBondContact O-N 3.31Å; D196-Y198 VanDerWaalsContact OD1-CA 3.32Å; D196-Y198 WeakPolarHBondContact OD1-CA 3.32Å; D196-Y198 VanDerWaalsContact OD1-CB 3.28Å; D196-Y198 WeakPolarHBondContact OD1-CB 3.47Å; D196-Y198 PolarHBondContact OD1-N 2.85Å; D196-Q199 PolarHBondContact O-N 3.35Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 2.86Å; D196-R235 IonicContact OD2-NH1 2.73Å; D196-R235 PolarHBondContact OD2-NH1 3.2Å
197	E	85.3	Confident	87.7	Confident	9 Å²	9	34.7 Å²	34.7	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-70.2	-14.9	175.1	-169.9	72.6	-171.6	0	0	111.3	Q199 V200 F201 I226 R227 L230 L231 R283	E197-Q199 VanDerWaalsContact C-N 3.29Å; E197-Q199 PolarHBondContact O-N 3.44Å; E197-V200 WeakPolarHBondContact O-CB 3.1Å; E197-V200 PolarHBondContact O-N 2.96Å; E197-V200 VanDerWaalsContact O-N 3.13Å; E197-F201 PolarHBondContact O-N 3.07Å; E197-F201 VanDerWaalsContact O-N 3.08Å; E197-I226 HydrophobicContact CG-CG2 4.14Å; E197-R227 HydrophobicContact CG-CB 3.78Å; E197-R227 HydrophobicContact CG-CG 4.46Å; E197-R227 PolarHBondContact OE1-N 2.88Å; E197-L230 HydrophobicContact CB-CB 4.18Å; E197-L231 HydrophobicContact CB-CD2 3.83Å; E197-L231 HydrophobicContact CG-CD2 3.92Å; E197-L231 HydrophobicContact CG-CG 4.47Å; E197-L231 VanDerWaalsContact O-CD2 3.29Å; E197-L231 WeakPolarHBondContact O-CD2 3.27Å; E197-R283 IonicContact OE1-CZ 3.02Å; E197-R283 IonicContact OE1-NE 2.62Å; E197-R283 IonicContact OE1-NH2 2.58Å; E197-R283 PolarHBondContact OE1-NH2 3.41Å; E197-R283 IonicContact OE2-CZ 3.53Å; E197-R283 IonicContact OE2-NE 3.87Å; E197-R283 PolarHBondContact OE2-NE 3.38Å; E197-R283 IonicContact OE2-NH2 3.05Å
198	Y	83.6	Confident	87.5	Confident	19 Å²	19	34.7 Å²	34.7	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-31.3	179.8	-176.3	-101.4	0	0	0	112	D196 V200 F201 L202 L231 R235	D196-Y198 PolarHBondContact O-N 3.31Å; D196-Y198 VanDerWaalsContact OD1-CA 3.32Å; D196-Y198 WeakPolarHBondContact OD1-CA 3.32Å; D196-Y198 VanDerWaalsContact OD1-CB 3.28Å; D196-Y198 WeakPolarHBondContact OD1-CB 3.47Å; D196-Y198 PolarHBondContact OD1-N 2.85Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 3.3Å; Y198-F201 HydrophobicContact CD2-CD1 4.09Å; Y198-F201 AromaticContact CE2-CD1 3.97Å; Y198-F201 HydrophobicContact CE2-CD1 3.97Å; Y198-F201 HydrophobicContact CE2-CE1 4.35Å; Y198-F201 WeakPolarHBondContact O-CB 3.35Å; Y198-F201 PolarHBondContact O-N 2.6Å; Y198-L202 HydrophobicContact CD1-CD1 3.85Å; Y198-L202 HydrophobicContact CD1-CG 4.06Å; Y198-L202 HydrophobicContact CE1-CD1 3.53Å; Y198-L202 HydrophobicContact CE1-CD2 4.02Å; Y198-L202 HydrophobicContact CE1-CG 3.76Å; Y198-L202 WeakPolarHBondContact O-CG 3.41Å; Y198-L202 PolarHBondContact O-N 3.2Å; Y198-L231 HydrophobicContact CD2-CD2 4.44Å; Y198-L231 VanDerWaalsContact N-CD2 3.27Å; Y198-R235 VanDerWaalsContact CD1-NH2 3.27Å; Y198-R235 HydrophobicContact CD2-CB 4.47Å; Y198-R235 VanDerWaalsContact CE1-CZ 3.43Å; Y198-R235 HydrophobicContact CE2-CB 3.98Å
199	Q	86.4	Confident	87.3	Confident	34 Å²	34	31 Å²	31	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-43	169.8	-72.7	164.5	-29.9	0	0	112	L167 D196 E197 F201 L202 A203	L167-Q199 HydrophobicContact CD2-CB 4.04Å; L167-Q199 HydrophobicContact CD2-CG 3.94Å; D196-Q199 PolarHBondContact O-N 3.35Å; D196-Q199 WeakPolarHBondContact OD1-CG 3.37Å; D196-Q199 PolarHBondContact OD1-N 2.86Å; E197-Q199 VanDerWaalsContact C-N 3.29Å; E197-Q199 PolarHBondContact O-N 3.44Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; Q199-L202 PolarHBondContact O-N 3.44Å; Q199-A203 PolarHBondContact O-N 3.03Å
200	V	90.9	Very high	87.1	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-41	176.4	-172.3	0	0	0	0	110.7	F166 L187 L192 I194 E197 Y198 A203 A204 I226	F166-V200 HydrophobicContact CE1-CG2 4.39Å; L187-V200 HydrophobicContact CD2-CG1 3.74Å; L192-V200 HydrophobicContact CD1-CG2 4.48Å; I194-V200 HydrophobicContact CD1-CG2 3.48Å; I194-V200 VanDerWaalsContact CD1-CG2 3.48Å; I194-V200 HydrophobicContact CG2-CG2 3.94Å; E197-V200 WeakPolarHBondContact O-CB 3.1Å; E197-V200 PolarHBondContact O-N 2.96Å; E197-V200 VanDerWaalsContact O-N 3.13Å; Y198-V200 VanDerWaalsContact C-N 3.33Å; Y198-V200 PolarHBondContact O-N 3.3Å; V200-A203 PolarHBondContact O-N 3.2Å; V200-A204 PolarHBondContact O-N 3.39Å; V200-I226 HydrophobicContact CG1-CG1 4.38Å
201	F	89.8	Confident	86.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-45.9	175	171.3	-96.3	0	0	0	112.4	E197 Y198 Q199 A203 A204 M205 L223 I226 F228 L231 L236 Y239 L252	E197-F201 PolarHBondContact O-N 3.07Å; E197-F201 VanDerWaalsContact O-N 3.08Å; Y198-F201 HydrophobicContact CD2-CD1 4.09Å; Y198-F201 AromaticContact CE2-CD1 3.97Å; Y198-F201 HydrophobicContact CE2-CD1 3.97Å; Y198-F201 HydrophobicContact CE2-CE1 4.35Å; Y198-F201 WeakPolarHBondContact O-CB 3.35Å; Y198-F201 PolarHBondContact O-N 2.6Å; Q199-F201 VanDerWaalsContact C-N 3.35Å; F201-A203 PolarHBondContact O-N 2.86Å; F201-A204 PolarHBondContact O-N 3.41Å; F201-M205 HydrophobicContact CD1-CG 4.29Å; F201-M205 HydrophobicContact CD2-CG 4.22Å; F201-M205 HydrophobicContact CE1-CG 3.82Å; F201-M205 HydrophobicContact CE2-CG 3.73Å; F201-M205 HydrophobicContact CE2-SD 4.05Å; F201-M205 HydrophobicContact CG-CG 4.47Å; F201-M205 HydrophobicContact CZ-CG 3.5Å; F201-M205 HydrophobicContact CZ-SD 4.07Å; F201-M205 WeakPolarHBondContact O-CB 3.37Å; F201-M205 VanDerWaalsContact O-CG 3.3Å; F201-M205 WeakPolarHBondContact O-CG 3.2Å; F201-M205 PolarHBondContact O-N 2.95Å; F201-L223 HydrophobicContact CD2-CD2 4.31Å; F201-L223 HydrophobicContact CE2-CD2 4.3Å; F201-I226 HydrophobicContact CB-CD1 4.34Å; F201-I226 HydrophobicContact CB-CG2 4.17Å; F201-I226 HydrophobicContact CD2-CD1 4.05Å; F201-F228 HydrophobicContact CD2-CE1 4.42Å; F201-F228 HydrophobicContact CE2-CE1 4.4Å; F201-L231 HydrophobicContact CB-CD1 4.1Å; F201-L231 HydrophobicContact CB-CD2 3.98Å; F201-L231 HydrophobicContact CD2-CD1 4.18Å; F201-L231 HydrophobicContact CG-CD1 4.19Å; F201-L236 HydrophobicContact CD1-CD1 4.17Å; F201-L236 HydrophobicContact CD2-CD1 4.41Å; F201-L236 HydrophobicContact CE1-CD1 3.53Å; F201-L236 HydrophobicContact CE2-CD1 3.81Å; F201-L236 HydrophobicContact CZ-CD1 3.32Å; F201-Y239 AromaticContact CE1-CD1 3.82Å; F201-Y239 HydrophobicContact CE1-CD1 3.82Å; F201-Y239 AromaticContact CE1-CE1 3.99Å; F201-Y239 HydrophobicContact CE1-CE1 3.99Å; F201-Y239 HydrophobicContact CE1-CG 4.28Å; F201-Y239 HydrophobicContact CZ-CD1 4.1Å; F201-Y239 HydrophobicContact CZ-CE1 4.22Å; F201-L252 HydrophobicContact CE2-CD2 4Å; F201-L252 HydrophobicContact CZ-CD2 4.3Å
202	L	88.3	Confident	86.5	Confident	43 Å²	43	35.2 Å²	35.2	23%	0.225	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-45.5	177.2	-73.3	178.7	0	0	0	111.8	Y198 Q199 A204 M205 Q206 Y239	Y198-L202 HydrophobicContact CD1-CD1 3.85Å; Y198-L202 HydrophobicContact CD1-CG 4.06Å; Y198-L202 HydrophobicContact CE1-CD1 3.53Å; Y198-L202 HydrophobicContact CE1-CD2 4.02Å; Y198-L202 HydrophobicContact CE1-CG 3.76Å; Y198-L202 WeakPolarHBondContact O-CG 3.41Å; Y198-L202 PolarHBondContact O-N 3.2Å; Q199-L202 PolarHBondContact O-N 3.44Å; L202-A204 PolarHBondContact O-N 3.36Å; L202-M205 PolarHBondContact O-N 3.49Å; L202-Q206 WeakPolarHBondContact O-CG 3.49Å; L202-Q206 PolarHBondContact O-N 3.43Å; L202-Y239 HydrophobicContact CD2-CD2 4.08Å; L202-Y239 HydrophobicContact CD2-CE2 3.66Å
203	A	90.5	Very high	86.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-45.7	177.5	0	0	0	0	0	112	F166 H170 F175 Q199 V200 F201 M205 Q206 W207	F166-A203 HydrophobicContact CE1-CB 4.2Å; F166-A203 HydrophobicContact CZ-CB 3.73Å; H170-A203 HydrophobicContact CB-CB 3.75Å; F175-A203 HydrophobicContact CE1-CB 4.15Å; F175-A203 HydrophobicContact CZ-CB 4.15Å; Q199-A203 PolarHBondContact O-N 3.03Å; V200-A203 PolarHBondContact O-N 3.2Å; F201-A203 PolarHBondContact O-N 2.86Å; A203-M205 VanDerWaalsContact C-N 3.35Å; A203-M205 PolarHBondContact O-N 3.44Å; A203-Q206 PolarHBondContact O-N 3.2Å; A203-W207 PolarHBondContact O-N 3.45Å
204	A	91.6	Very high	85.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-42.7	176.1	0	0	0	0	0	112.1	L187 V200 F201 L202 W207 I208 V222 L223 I226	L187-A204 HydrophobicContact CD1-CB 3.88Å; V200-A204 PolarHBondContact O-N 3.39Å; F201-A204 PolarHBondContact O-N 3.41Å; L202-A204 PolarHBondContact O-N 3.36Å; A204-W207 PolarHBondContact O-N 3.42Å; A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.22Å; A204-I208 VanDerWaalsContact O-N 3.14Å; A204-V222 HydrophobicContact CB-CG1 4.06Å; A204-L223 HydrophobicContact CB-CD2 4.27Å; A204-I226 HydrophobicContact CB-CD1 3.77Å
205	M	89.1	Confident	85.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-39.5	178.5	-71.2	-56.6	-59.3	0	0	112.7	F201 L202 A203 W207 I208 L209 L223 Y239 L248 L252	F201-M205 HydrophobicContact CD1-CG 4.29Å; F201-M205 HydrophobicContact CD2-CG 4.22Å; F201-M205 HydrophobicContact CE1-CG 3.82Å; F201-M205 HydrophobicContact CE2-CG 3.73Å; F201-M205 HydrophobicContact CE2-SD 4.05Å; F201-M205 HydrophobicContact CG-CG 4.47Å; F201-M205 HydrophobicContact CZ-CG 3.5Å; F201-M205 HydrophobicContact CZ-SD 4.07Å; F201-M205 WeakPolarHBondContact O-CB 3.37Å; F201-M205 VanDerWaalsContact O-CG 3.3Å; F201-M205 WeakPolarHBondContact O-CG 3.2Å; F201-M205 PolarHBondContact O-N 2.95Å; L202-M205 PolarHBondContact O-N 3.49Å; A203-M205 VanDerWaalsContact C-N 3.35Å; A203-M205 PolarHBondContact O-N 3.44Å; M205-W207 VanDerWaalsContact C-N 3.3Å; M205-W207 PolarHBondContact O-N 3.42Å; M205-I208 PolarHBondContact O-N 3.37Å; M205-I208 HydrophobicContact SD-CD1 4.12Å; M205-L209 WeakPolarHBondContact O-CB 3.44Å; M205-L209 VanDerWaalsContact O-CG 3.23Å; M205-L209 WeakPolarHBondContact O-CG 3.4Å; M205-L209 PolarHBondContact O-N 3.39Å; M205-L223 HydrophobicContact SD-CD2 4.06Å; M205-Y239 HydrophobicContact CB-CE1 4.41Å; M205-Y239 HydrophobicContact CE-CE1 4.2Å; M205-Y239 HydrophobicContact CG-CE1 4.19Å; M205-L248 HydrophobicContact CE-CD1 4.22Å; M205-L248 HydrophobicContact CE-CD2 3.71Å; M205-L248 HydrophobicContact CE-CG 4.11Å; M205-L252 HydrophobicContact CE-CD1 3.91Å; M205-L252 HydrophobicContact SD-CD1 4.39Å; M205-L252 HydrophobicContact SD-CD2 4.18Å
206	Q	88.9	Confident	86.1	Confident	75 Å²	75	43.6 Å²	43.6	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-58.8	-42.9	175.3	-75.7	175	-14.6	0	0	111.4	H170 L176 L202 A203 L209 K210	H170-Q206 PolarHBondContact ND1-OE1 3.14Å; H170-Q206 PolarHBondContact O-OE1 3.07Å; L176-Q206 HydrophobicContact CD2-CB 4.18Å; L202-Q206 WeakPolarHBondContact O-CG 3.49Å; L202-Q206 PolarHBondContact O-N 3.43Å; A203-Q206 PolarHBondContact O-N 3.2Å; Q206-L209 PolarHBondContact O-N 3.34Å; Q206-K210 PolarHBondContact O-N 3.19Å
207	W	91.7	Very high	86.5	Confident	7 Å²	7	49.2 Å²	49.2	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-41.8	175.3	-175.2	96.5	0	0	0	112.4	L178 K180 L183 A203 A204 M205 R215 V222	L178-W207 PolarHBondContact O-NE1 3.23Å; K180-W207 HydrophobicContact CB-CH2 4.18Å; L183-W207 HydrophobicContact CD2-CB 3.92Å; L183-W207 HydrophobicContact CD2-CD2 3.44Å; L183-W207 VanDerWaalsContact CD2-CD2 3.44Å; L183-W207 HydrophobicContact CD2-CE3 3.72Å; L183-W207 HydrophobicContact CD2-CG 3.53Å; L183-W207 HydrophobicContact CD2-CZ3 4.39Å; A203-W207 PolarHBondContact O-N 3.45Å; A204-W207 PolarHBondContact O-N 3.42Å; M205-W207 VanDerWaalsContact C-N 3.3Å; M205-W207 PolarHBondContact O-N 3.42Å; W207-R215 HydrophobicContact CE3-CB 4.47Å; W207-R215 HydrophobicContact CE3-CG 4.4Å; W207-R215 HydrophobicContact CH2-CB 4.27Å; W207-R215 HydrophobicContact CH2-CG 3.79Å; W207-R215 HydrophobicContact CZ2-CG 4.35Å; W207-R215 HydrophobicContact CZ3-CB 3.86Å; W207-R215 HydrophobicContact CZ3-CG 3.82Å; W207-R215 VanDerWaalsContact O-CD 3.23Å; W207-R215 WeakPolarHBondContact O-CD 3.23Å; W207-R215 PolarHBondContact O-NH1 2.89Å; W207-V222 HydrophobicContact CE3-CG1 4.5Å; W207-V222 HydrophobicContact CE3-CG2 4.28Å; W207-V222 HydrophobicContact CH2-CG2 4.49Å; W207-V222 HydrophobicContact CZ3-CG2 3.81Å
208	I	88.1	Confident	86.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-43.7	177	-68	164	0	0	0	110.9	A204 M205 K210 D211 L212 V219 V222 L223 L248	A204-I208 WeakPolarHBondContact O-CG1 3.45Å; A204-I208 PolarHBondContact O-N 3.22Å; A204-I208 VanDerWaalsContact O-N 3.14Å; M205-I208 PolarHBondContact O-N 3.37Å; M205-I208 HydrophobicContact SD-CD1 4.12Å; I208-K210 VanDerWaalsContact C-N 3.32Å; I208-K210 PolarHBondContact O-N 3.39Å; I208-D211 CarbonylContact O-C 3.58Å; I208-L212 HydrophobicContact CG2-CD2 4.06Å; I208-L212 PolarHBondContact O-N 2.88Å; I208-V219 HydrophobicContact CD1-CG1 4.48Å; I208-V219 HydrophobicContact CD1-CG2 4.19Å; I208-V219 HydrophobicContact CG2-CG2 3.93Å; I208-V222 HydrophobicContact CD1-CB 4.38Å; I208-V222 HydrophobicContact CD1-CG1 4.04Å; I208-V222 HydrophobicContact CG1-CG1 4.28Å; I208-L223 HydrophobicContact CD1-CD2 4.33Å; I208-L223 HydrophobicContact CD1-CG 4.42Å; I208-L248 HydrophobicContact CG2-CD1 4.27Å
209	L	86.6	Confident	86.5	Confident	72 Å²	72	50 Å²	50	38%	0.377	25%	0.246	S	C	.	.	H	α-helix	trans	-68.3	-26.4	-174.9	-72.4	168.6	0	0	0	113.4	M205 Q206 D211 L212 L248	M205-L209 WeakPolarHBondContact O-CB 3.44Å; M205-L209 VanDerWaalsContact O-CG 3.23Å; M205-L209 WeakPolarHBondContact O-CG 3.4Å; M205-L209 PolarHBondContact O-N 3.39Å; Q206-L209 PolarHBondContact O-N 3.34Å; L209-D211 PolarHBondContact O-N 3.45Å; L209-L212 HydrophobicContact CD2-CD1 4.22Å; L209-L212 HydrophobicContact CD2-CD2 4.1Å; L209-L212 HydrophobicContact CD2-CG 4.43Å; L209-L248 HydrophobicContact CD2-CD2 4.08Å
210	K	86.8	Confident	86.4	Confident	128 Å²	128	53 Å²	53	56%	0.557	27%	0.266	S	S	*	.	H	α-helix	trans	-62.1	-37.3	179.3	-176	67.1	168.3	-163.1	0	113.5	L176 Q206 I208	L176-K210 HydrophobicContact CB-CG 4.24Å; L176-K210 HydrophobicContact CD1-CD 4.09Å; L176-K210 HydrophobicContact CD1-CG 4.38Å; Q206-K210 PolarHBondContact O-N 3.19Å; I208-K210 VanDerWaalsContact C-N 3.32Å; I208-K210 PolarHBondContact O-N 3.39Å
211	D	84.4	Confident	86.1	Confident	54 Å²	54	56.8 Å²	56.8	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	71.7	176.9	-174.9	-5	0	0	0	110.3	I208 L209 G213 K214 R215	I208-D211 CarbonylContact O-C 3.58Å; L209-D211 PolarHBondContact O-N 3.45Å; D211-G213 PolarHBondContact O-N 2.94Å; D211-G213 PolarHBondContact OD1-N 3.38Å; D211-K214 PolarHBondContact O-N 3.2Å; D211-K214 PolarHBondContact OD1-N 2.79Å; D211-K214 VanDerWaalsContact OD1-N 3.17Å; D211-K214 WeakPolarHBondContact OD2-CD 3.38Å; D211-R215 HydrophobicContact CB-CG 4.18Å; D211-R215 WeakPolarHBondContact O-CB 3.16Å; D211-R215 WeakPolarHBondContact O-CG 3.31Å; D211-R215 PolarHBondContact O-N 3.3Å
212	L	80.4	Confident	86	Confident	54 Å²	54	56.8 Å²	56.8	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-33.1	179.4	-77.5	173.3	0	0	0	112.9	I208 L209 R216 L248	I208-L212 HydrophobicContact CG2-CD2 4.06Å; I208-L212 PolarHBondContact O-N 2.88Å; L209-L212 HydrophobicContact CD2-CD1 4.22Å; L209-L212 HydrophobicContact CD2-CD2 4.1Å; L209-L212 HydrophobicContact CD2-CG 4.43Å; L212-R216 WeakPolarHBondContact O-CB 3.48Å; L212-R216 PolarHBondContact O-N 2.88Å; L212-L248 HydrophobicContact CD2-CD2 4.13Å
213	G	80.9	Confident	86	Confident	72 Å²	72	54.9 Å²	54.9	74%	0.742	27%	0.274	S	S	*	.	H	α-helix	trans	-63.2	-49.6	-177.7	0	0	0	0	0	112.5	D211	D211-G213 PolarHBondContact O-N 2.94Å; D211-G213 PolarHBondContact OD1-N 3.38Å
214	K	83.8	Confident	85.8	Confident	151 Å²	151	57.9 Å²	57.9	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-89.8	-32.1	-177.5	-63.4	-177.4	-171	165.5	0	113.6	D211 K217	D211-K214 PolarHBondContact O-N 3.2Å; D211-K214 PolarHBondContact OD1-N 2.79Å; D211-K214 VanDerWaalsContact OD1-N 3.17Å; D211-K214 WeakPolarHBondContact OD2-CD 3.38Å; K214-K217 VanDerWaalsContact O-CE 3.28Å; K214-K217 WeakPolarHBondContact O-CE 3.38Å; K214-K217 WeakPolarHBondContact O-CG 3.43Å
215	R	85.3	Confident	85.6	Confident	38 Å²	38	58.6 Å²	58.6	14%	0.143	29%	0.294	C	S	.	.	H	α-helix	trans	-87.9	-15	-171	-61	176.2	178.8	-171.7	-5.3	113.7	L176 W207 D211 K217 H218	L176-R215 PolarHBondContact O-NH1 2.7Å; L176-R215 PolarHBondContact O-NH2 3.45Å; W207-R215 HydrophobicContact CE3-CB 4.47Å; W207-R215 HydrophobicContact CE3-CG 4.4Å; W207-R215 HydrophobicContact CH2-CB 4.27Å; W207-R215 HydrophobicContact CH2-CG 3.79Å; W207-R215 HydrophobicContact CZ2-CG 4.35Å; W207-R215 HydrophobicContact CZ3-CB 3.86Å; W207-R215 HydrophobicContact CZ3-CG 3.82Å; W207-R215 VanDerWaalsContact O-CD 3.23Å; W207-R215 WeakPolarHBondContact O-CD 3.23Å; W207-R215 PolarHBondContact O-NH1 2.89Å; D211-R215 HydrophobicContact CB-CG 4.18Å; D211-R215 WeakPolarHBondContact O-CB 3.16Å; D211-R215 WeakPolarHBondContact O-CG 3.31Å; D211-R215 PolarHBondContact O-N 3.3Å; R215-K217 PolarHBondContact O-N 3.41Å; R215-K217 VanDerWaalsContact O-N 3.15Å; R215-H218 PolarHBondContact O-N 2.76Å
216	R	79.5	Confident	85.5	Confident	119 Å²	119	58.6 Å²	58.6	45%	0.449	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-54.5	-35	179.3	175	173.7	168	-169.4	-9	114.4	L212 H218 V219 N247	L212-R216 WeakPolarHBondContact O-CB 3.48Å; L212-R216 PolarHBondContact O-N 2.88Å; R216-H218 PolarHBondContact O-N 3.11Å; R216-V219 WeakPolarHBondContact O-CG2 3.42Å; R216-V219 PolarHBondContact O-N 3.49Å; R216-N247 PolarHBondContact NH1-ND2 3.06Å; R216-N247 VanDerWaalsContact NH1-ND2 3.12Å; R216-N247 PolarHBondContact NH2-ND2 2.8Å; R216-N247 PolarHBondContact NH2-OD1 3.27Å
217	K	83.8	Confident	85.3	Confident	158 Å²	158	55.5 Å²	55.5	69%	0.687	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.1	177.1	57.9	178.5	170.6	170.4	0	113.8	K214 R215	K214-K217 VanDerWaalsContact O-CE 3.28Å; K214-K217 WeakPolarHBondContact O-CE 3.38Å; K214-K217 WeakPolarHBondContact O-CG 3.43Å; R215-K217 PolarHBondContact O-N 3.41Å; R215-K217 VanDerWaalsContact O-N 3.15Å
218	H	85.5	Confident	84.6	Confident	40 Å²	40	55.8 Å²	55.8	19%	0.185	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-100.7	4.5	-176.8	-59.5	-53.4	0	0	0	113.3	K180 R215 R216 V220 E221 V222	K180-H218 HydrophobicContact CD-CB 3.97Å; K180-H218 WeakPolarHBondContact CD-ND1 3.12Å; K180-H218 HydrophobicContact CG-CB 4.19Å; R215-H218 PolarHBondContact O-N 2.76Å; R216-H218 PolarHBondContact O-N 3.11Å; H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 2.82Å; H218-E221 IonicContact ND1-OE1 2.88Å; H218-E221 PolarHBondContact ND1-OE1 3.28Å; H218-E221 PolarHBondContact O-N 2.8Å; H218-E221 VanDerWaalsContact O-N 3.14Å; H218-V222 HydrophobicContact CB-CG2 4.27Å; H218-V222 WeakPolarHBondContact O-CB 3.44Å; H218-V222 WeakPolarHBondContact O-CG2 3.23Å; H218-V222 PolarHBondContact O-N 3.44Å
219	V	84.5	Confident	83.9	Confident	6 Å²	6	57 Å²	57	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-55	-46.5	-176.4	170.1	0	0	0	0	111.6	I208 R216 E221 V222 L223 L248	I208-V219 HydrophobicContact CD1-CG1 4.48Å; I208-V219 HydrophobicContact CD1-CG2 4.19Å; I208-V219 HydrophobicContact CG2-CG2 3.93Å; R216-V219 WeakPolarHBondContact O-CG2 3.42Å; R216-V219 PolarHBondContact O-N 3.49Å; V219-E221 PolarHBondContact O-N 2.83Å; V219-V222 PolarHBondContact O-N 3.07Å; V219-L223 HydrophobicContact CG1-CD1 3.61Å; V219-L223 HydrophobicContact CG1-CG 4.3Å; V219-L223 WeakPolarHBondContact O-CB 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.34Å; V219-L223 PolarHBondContact O-N 3.11Å; V219-L248 HydrophobicContact CG1-CD1 4.06Å; V219-L248 HydrophobicContact CG2-CD1 3.89Å
220	V	83.1	Confident	83.3	Confident	95 Å²	95	54.9 Å²	54.9	58%	0.576	28%	0.278	S	S	*	.	H	α-helix	trans	-64.5	-42.3	-179.4	-177.8	0	0	0	0	111.2	H218 L223 D224	H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 2.82Å; V220-L223 PolarHBondContact O-N 2.68Å; V220-D224 PolarHBondContact O-N 3.01Å
221	E	85.2	Confident	82.7	Confident	81 Å²	81	48.8 Å²	48.8	38%	0.379	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-38.6	179.6	-62.4	174.5	-117.6	0	0	112.5	K180 I184 H218 V219 P225	K180-E221 WeakPolarHBondContact CE-OE2 3.34Å; K180-E221 IonicContact NZ-OE2 2.78Å; K180-E221 PolarHBondContact NZ-OE2 2.78Å; I184-E221 HydrophobicContact CD1-CB 4.1Å; H218-E221 IonicContact ND1-OE1 2.88Å; H218-E221 PolarHBondContact ND1-OE1 3.28Å; H218-E221 PolarHBondContact O-N 2.8Å; H218-E221 VanDerWaalsContact O-N 3.14Å; V219-E221 PolarHBondContact O-N 2.83Å; E221-P225 WeakPolarHBondContact O-CD 3.19Å
222	V	88.3	Confident	81.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-75.3	-30.5	-180	171.2	0	0	0	0	111.8	K180 L183 L187 A204 W207 I208 H218 V219 P225	K180-V222 HydrophobicContact CG-CG2 4.24Å; L183-V222 HydrophobicContact CD2-CG1 3.75Å; L183-V222 HydrophobicContact CD2-CG2 4.35Å; L187-V222 HydrophobicContact CD1-CG1 4.38Å; A204-V222 HydrophobicContact CB-CG1 4.06Å; W207-V222 HydrophobicContact CE3-CG1 4.5Å; W207-V222 HydrophobicContact CE3-CG2 4.28Å; W207-V222 HydrophobicContact CH2-CG2 4.49Å; W207-V222 HydrophobicContact CZ3-CG2 3.81Å; I208-V222 HydrophobicContact CD1-CB 4.38Å; I208-V222 HydrophobicContact CD1-CG1 4.04Å; I208-V222 HydrophobicContact CG1-CG1 4.28Å; H218-V222 HydrophobicContact CB-CG2 4.27Å; H218-V222 WeakPolarHBondContact O-CB 3.44Å; H218-V222 WeakPolarHBondContact O-CG2 3.23Å; H218-V222 PolarHBondContact O-N 3.44Å; V219-V222 PolarHBondContact O-N 3.07Å; V222-P225 WeakPolarHBondContact O-CD 3.3Å
223	L	87.1	Confident	81.2	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-86.2	-17.5	177.7	-63.1	177.3	0	0	0	113.2	F201 A204 M205 I208 V219 V220 P225 I226 F228 L252 L255	F201-L223 HydrophobicContact CD2-CD2 4.31Å; F201-L223 HydrophobicContact CE2-CD2 4.3Å; A204-L223 HydrophobicContact CB-CD2 4.27Å; M205-L223 HydrophobicContact SD-CD2 4.06Å; I208-L223 HydrophobicContact CD1-CD2 4.33Å; I208-L223 HydrophobicContact CD1-CG 4.42Å; V219-L223 HydrophobicContact CG1-CD1 3.61Å; V219-L223 HydrophobicContact CG1-CG 4.3Å; V219-L223 WeakPolarHBondContact O-CB 3.23Å; V219-L223 WeakPolarHBondContact O-CG 3.34Å; V219-L223 PolarHBondContact O-N 3.11Å; V220-L223 PolarHBondContact O-N 2.68Å; L223-P225 VanDerWaalsContact C-CD 3.45Å; L223-I226 HydrophobicContact CB-CD1 4.2Å; L223-I226 HydrophobicContact CD2-CD1 3.32Å; L223-I226 HydrophobicContact CG-CD1 4.33Å; L223-I226 WeakPolarHBondContact O-CB 3.28Å; L223-I226 PolarHBondContact O-N 3.08Å; L223-F228 HydrophobicContact CB-CE2 4.11Å; L223-F228 HydrophobicContact CB-CZ 4.12Å; L223-F228 HydrophobicContact CD1-CZ 4.37Å; L223-F228 WeakPolarHBondContact O-CE2 3.39Å; L223-L252 HydrophobicContact CD1-CD2 3.59Å; L223-L255 HydrophobicContact CB-CD1 4.43Å; L223-L255 HydrophobicContact CD1-CD1 3.69Å
224	D	86.2	Confident	80.5	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.342	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-41.3	177.9	174.8	64.8	0	0	0	114.5	R188 V220 I226 K279	R188-D224 IonicContact NH2-OD2 3.55Å; V220-D224 PolarHBondContact O-N 3.01Å; D224-I226 PolarHBondContact O-N 3.04Å; D224-K279 WeakPolarHBondContact O-CE 3.36Å; D224-K279 PolarHBondContact O-NZ 3.17Å; D224-K279 IonicContact OD1-NZ 2.76Å; D224-K279 PolarHBondContact OD1-NZ 3.01Å
225	P	87.7	Confident	80	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.091	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.6	177.5	-21.2	34.4	0	0	0	115.1	I184 L187 R188 E221 V222 L223 R283	I184-P225 HydrophobicContact CG2-CG 4.05Å; L187-P225 HydrophobicContact CB-CB 4.08Å; L187-P225 HydrophobicContact CB-CG 4.44Å; R188-P225 HydrophobicContact CB-CB 4.34Å; E221-P225 WeakPolarHBondContact O-CD 3.19Å; V222-P225 WeakPolarHBondContact O-CD 3.3Å; L223-P225 VanDerWaalsContact C-CD 3.45Å; P225-R283 PolarHBondContact O-NH2 3.14Å; P225-R283 VanDerWaalsContact O-NH2 3.15Å
226	I	87.7	Confident	79.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-82.3	135.6	-175.9	-58.2	166.5	0	0	0	110.2	E197 V200 F201 A204 L223 D224 F228 L231	E197-I226 HydrophobicContact CG-CG2 4.14Å; V200-I226 HydrophobicContact CG1-CG1 4.38Å; F201-I226 HydrophobicContact CB-CD1 4.34Å; F201-I226 HydrophobicContact CB-CG2 4.17Å; F201-I226 HydrophobicContact CD2-CD1 4.05Å; A204-I226 HydrophobicContact CB-CD1 3.77Å; L223-I226 HydrophobicContact CB-CD1 4.2Å; L223-I226 HydrophobicContact CD2-CD1 3.32Å; L223-I226 HydrophobicContact CG-CD1 4.33Å; L223-I226 WeakPolarHBondContact O-CB 3.28Å; L223-I226 PolarHBondContact O-N 3.08Å; D224-I226 PolarHBondContact O-N 3.04Å; I226-F228 VanDerWaalsContact C-N 3.33Å; I226-F228 HydrophobicContact CB-CD2 4.32Å; I226-F228 HydrophobicContact CB-CE2 4.08Å; I226-F228 HydrophobicContact CG2-CD2 4.38Å; I226-F228 HydrophobicContact CG2-CE2 4.35Å; I226-F228 WeakPolarHBondContact O-CD2 3.46Å; I226-F228 PolarHBondContact O-N 2.82Å; I226-L231 HydrophobicContact CG2-CD1 3.89Å; I226-L231 HydrophobicContact CG2-CD2 4.44Å; I226-L231 HydrophobicContact CG2-CG 4.4Å
227	R	83.8	Confident	79.3	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.038	21%	0.206	C	C	.	.			trans	-86.6	72	179.8	-52.3	-177.7	-171.2	-167.2	-1.7	111.1	E190 E197 P229 L230 S278 K279 R281 P282 R283	E190-R227 IonicContact OE1-CZ 2.96Å; E190-R227 IonicContact OE1-NH2 3.52Å; E190-R227 PolarHBondContact OE1-NH2 3.17Å; E190-R227 IonicContact OE2-CZ 3.7Å; E190-R227 IonicContact OE2-NH1 2.59Å; E190-R227 IonicContact OE2-NH2 3.66Å; E190-R227 PolarHBondContact OE2-NH2 3.23Å; E197-R227 HydrophobicContact CG-CB 3.78Å; E197-R227 HydrophobicContact CG-CG 4.46Å; E197-R227 PolarHBondContact OE1-N 2.88Å; R227-P229 VanDerWaalsContact C-N 3.28Å; R227-P229 VanDerWaalsContact O-N 3.12Å; R227-L230 HydrophobicContact CB-CD1 3.97Å; R227-L230 HydrophobicContact CB-CG 4.29Å; R227-L230 WeakPolarHBondContact O-CB 3.34Å; R227-L230 PolarHBondContact O-N 2.81Å; R227-S278 WeakPolarHBondContact CD-O 3.35Å; R227-S278 VanDerWaalsContact CZ-O 3.31Å; R227-S278 PolarHBondContact NE-O 2.84Å; R227-S278 PolarHBondContact NH1-O 2.76Å; R227-K279 WeakPolarHBondContact CB-O 3.44Å; R227-R281 WeakPolarHBondContact CD-O 3.44Å; R227-R281 PolarHBondContact NH1-O 2.7Å; R227-P282 PolarHBondContact NH1-O 3.44Å; R227-R283 VanDerWaalsContact CZ-CG 3.46Å; R227-R283 VanDerWaalsContact NH1-CA 3.3Å; R227-R283 VanDerWaalsContact NH1-N 3.13Å
228	F	77.6	Confident	79.1	Confident	14 Å²	14	41.1 Å²	41.1	6%	0.061	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-46.3	-38.4	179.2	-78.4	-86.8	0	0	0	115.7	F201 L223 I226 L230 L231 L236 Y259	F201-F228 HydrophobicContact CD2-CE1 4.42Å; F201-F228 HydrophobicContact CE2-CE1 4.4Å; L223-F228 HydrophobicContact CB-CE2 4.11Å; L223-F228 HydrophobicContact CB-CZ 4.12Å; L223-F228 HydrophobicContact CD1-CZ 4.37Å; L223-F228 WeakPolarHBondContact O-CE2 3.39Å; I226-F228 VanDerWaalsContact C-N 3.33Å; I226-F228 HydrophobicContact CB-CD2 4.32Å; I226-F228 HydrophobicContact CB-CE2 4.08Å; I226-F228 HydrophobicContact CG2-CD2 4.38Å; I226-F228 HydrophobicContact CG2-CE2 4.35Å; I226-F228 WeakPolarHBondContact O-CD2 3.46Å; I226-F228 PolarHBondContact O-N 2.82Å; F228-L230 PolarHBondContact O-N 2.94Å; F228-L230 VanDerWaalsContact O-N 3.1Å; F228-L231 HydrophobicContact CD1-CD1 3.64Å; F228-L231 HydrophobicContact CE1-CD1 4.03Å; F228-L231 HydrophobicContact CG-CD1 4.16Å; F228-L231 PolarHBondContact O-N 3.27Å; F228-L231 VanDerWaalsContact O-N 3.15Å; F228-L236 HydrophobicContact CD1-CD2 4.31Å; F228-L236 HydrophobicContact CE1-CD2 4.48Å; F228-Y259 HydrophobicContact CB-CD1 4.17Å; F228-Y259 HydrophobicContact CB-CD2 3.61Å; F228-Y259 HydrophobicContact CB-CE2 4.04Å; F228-Y259 HydrophobicContact CB-CG 3.72Å; F228-Y259 HydrophobicContact CD1-CD2 4.28Å; F228-Y259 AromaticContact CD2-CD2 3.69Å; F228-Y259 HydrophobicContact CD2-CD2 3.69Å; F228-Y259 AromaticContact CD2-CE2 3.29Å; F228-Y259 HydrophobicContact CD2-CE2 3.29Å; F228-Y259 AromaticContact CD2-CZ 3.82Å; F228-Y259 HydrophobicContact CE2-CD2 4.44Å; F228-Y259 AromaticContact CE2-CE2 3.85Å; F228-Y259 HydrophobicContact CE2-CE2 3.85Å; F228-Y259 AromaticContact CG-CD2 3.6Å; F228-Y259 HydrophobicContact CG-CD2 3.6Å; F228-Y259 AromaticContact CG-CE2 3.74Å; F228-Y259 HydrophobicContact CG-CE2 3.74Å; F228-Y259 HydrophobicContact CG-CG 4.24Å
229	P	73.2	Confident	78.9	Confident	25 Å²	25	41.7 Å²	41.7	16%	0.162	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.1	-19.7	176.1	-26.9	36.7	0	0	0	115.2	R227 V280	R227-P229 VanDerWaalsContact C-N 3.28Å; R227-P229 VanDerWaalsContact O-N 3.12Å; P229-V280 HydrophobicContact CB-CG2 4.49Å; P229-V280 HydrophobicContact CG-CG2 4.31Å
230	L	73.4	Confident	78.8	Confident	27 Å²	27	41.5 Å²	41.5	14%	0.141	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-98.8	-5.4	-179.4	-57.6	178.7	0	0	0	113.6	E197 R227 F228 R281	E197-L230 HydrophobicContact CB-CB 4.18Å; R227-L230 HydrophobicContact CB-CD1 3.97Å; R227-L230 HydrophobicContact CB-CG 4.29Å; R227-L230 WeakPolarHBondContact O-CB 3.34Å; R227-L230 PolarHBondContact O-N 2.81Å; F228-L230 PolarHBondContact O-N 2.94Å; F228-L230 VanDerWaalsContact O-N 3.1Å; L230-R281 WeakPolarHBondContact CD1-O 3.19Å
231	L	75.1	Confident	78.7	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.204	C	C	.	.	S	Bend	trans	-85.7	124.6	-175.9	-67.6	-179.1	0	0	0	112.2	E197 Y198 F201 I226 F228 L236 H562	E197-L231 HydrophobicContact CB-CD2 3.83Å; E197-L231 HydrophobicContact CG-CD2 3.92Å; E197-L231 HydrophobicContact CG-CG 4.47Å; E197-L231 VanDerWaalsContact O-CD2 3.29Å; E197-L231 WeakPolarHBondContact O-CD2 3.27Å; Y198-L231 HydrophobicContact CD2-CD2 4.44Å; Y198-L231 VanDerWaalsContact N-CD2 3.27Å; F201-L231 HydrophobicContact CB-CD1 4.1Å; F201-L231 HydrophobicContact CB-CD2 3.98Å; F201-L231 HydrophobicContact CD2-CD1 4.18Å; F201-L231 HydrophobicContact CG-CD1 4.19Å; I226-L231 HydrophobicContact CG2-CD1 3.89Å; I226-L231 HydrophobicContact CG2-CD2 4.44Å; I226-L231 HydrophobicContact CG2-CG 4.4Å; F228-L231 HydrophobicContact CD1-CD1 3.64Å; F228-L231 HydrophobicContact CE1-CD1 4.03Å; F228-L231 HydrophobicContact CG-CD1 4.16Å; F228-L231 PolarHBondContact O-N 3.27Å; F228-L231 VanDerWaalsContact O-N 3.15Å; L231-L236 HydrophobicContact CD1-CD2 4.28Å; L231-H562 PolarHBondContact O-CE1 3.42Å; L231-H562 PolarHBondContact O-NE2 2.89Å
232	P	68.5	Low	78.4	Confident	7 Å²	7	42.1 Å²	42.1	5%	0.045	22%	0.216	C	C	.	.			trans	-51.9	130.3	176.1	-25.7	34.6	0	0	0	114	R235 L236 H562	P232-R235 HydrophobicContact CB-CB 4.23Å; P232-R235 HydrophobicContact CB-CG 4.16Å; P232-L236 WeakPolarHBondContact O-CB 3.46Å; P232-L236 PolarHBondContact O-N 3.3Å; P232-L236 VanDerWaalsContact O-N 3.1Å; P232-H562 WeakPolarHBondContact CA-CE1 3.25Å
233	P	64.9	Low	78.1	Confident	28 Å²	28	43 Å²	43	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-81	-37.2	-166.9	28.7	-18.8	0	0	0	110.9	R235 L236 L237 H562	P233-R235 VanDerWaalsContact C-N 3.31Å; P233-R235 PolarHBondContact O-N 3.23Å; P233-L236 CarbonylContact O-C 3.59Å; P233-L236 PolarHBondContact O-N 3.05Å; P233-L237 VanDerWaalsContact O-CB 3.29Å; P233-L237 WeakPolarHBondContact O-CB 3.32Å; P233-L237 VanDerWaalsContact O-CG 3.25Å; P233-L237 WeakPolarHBondContact O-CG 3.39Å; P233-L237 PolarHBondContact O-N 3.24Å; P233-H562 WeakPolarHBondContact CB-CD2 3.16Å; P233-H562 WeakPolarHBondContact CB-NE2 2.88Å; P233-H562 VanDerWaalsContact CD-CD2 3.47Å; P233-H562 WeakPolarHBondContact CD-CD2 3.45Å; P233-H562 WeakPolarHBondContact CD-CE1 3.31Å; P233-H562 VanDerWaalsContact CD-ND1 3.33Å; P233-H562 WeakPolarHBondContact CD-ND1 3.2Å; P233-H562 WeakPolarHBondContact CD-NE2 3.5Å; P233-H562 HydrophobicContact CG-CB 4.05Å; P233-H562 WeakPolarHBondContact CG-CD2 3.46Å; P233-H562 WeakPolarHBondContact CG-NE2 3.25Å; P233-H562 VanDerWaalsContact N-CE1 3.35Å
234	Q	66.8	Low	77.5	Confident	118 Å²	118	49 Å²	49	55%	0.551	26%	0.263	S	S	*	.	H	α-helix	trans	-61.6	-44.2	179	-64.3	-179.7	-27.7	0	0	109.6	K238	Q234-K238 WeakPolarHBondContact O-CB 3.31Å; Q234-K238 PolarHBondContact O-N 3.04Å
235	R	72.4	Confident	77.2	Confident	103 Å²	103	48 Å²	48	39%	0.389	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-42.4	174.1	-63.8	-179	73.4	-169.9	5	111.4	D196 Y198 P232 P233 Y239	D196-R235 IonicContact OD2-NH1 2.73Å; D196-R235 PolarHBondContact OD2-NH1 3.2Å; Y198-R235 VanDerWaalsContact CD1-NH2 3.27Å; Y198-R235 HydrophobicContact CD2-CB 4.47Å; Y198-R235 VanDerWaalsContact CE1-CZ 3.43Å; Y198-R235 HydrophobicContact CE2-CB 3.98Å; P232-R235 HydrophobicContact CB-CB 4.23Å; P232-R235 HydrophobicContact CB-CG 4.16Å; P233-R235 VanDerWaalsContact C-N 3.31Å; P233-R235 PolarHBondContact O-N 3.23Å; R235-Y239 VanDerWaalsContact O-CB 3.23Å; R235-Y239 WeakPolarHBondContact O-CB 3.37Å; R235-Y239 PolarHBondContact O-N 3.49Å
236	L	75.8	Confident	76.6	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-42.8	179.7	-173	59.3	0	0	0	112.7	F201 F228 L231 P232 P233 Y239 I240 L256	F201-L236 HydrophobicContact CD1-CD1 4.17Å; F201-L236 HydrophobicContact CD2-CD1 4.41Å; F201-L236 HydrophobicContact CE1-CD1 3.53Å; F201-L236 HydrophobicContact CE2-CD1 3.81Å; F201-L236 HydrophobicContact CZ-CD1 3.32Å; F228-L236 HydrophobicContact CD1-CD2 4.31Å; F228-L236 HydrophobicContact CE1-CD2 4.48Å; L231-L236 HydrophobicContact CD1-CD2 4.28Å; P232-L236 WeakPolarHBondContact O-CB 3.46Å; P232-L236 PolarHBondContact O-N 3.3Å; P232-L236 VanDerWaalsContact O-N 3.1Å; P233-L236 CarbonylContact O-C 3.59Å; P233-L236 PolarHBondContact O-N 3.05Å; L236-Y239 WeakPolarHBondContact O-CB 3.35Å; L236-Y239 PolarHBondContact O-N 2.94Å; L236-I240 HydrophobicContact CD1-CD1 4.29Å; L236-I240 HydrophobicContact CD1-CG1 4.48Å; L236-I240 HydrophobicContact CG-CD1 3.95Å; L236-I240 WeakPolarHBondContact O-CB 3.34Å; L236-I240 WeakPolarHBondContact O-CG1 3.44Å; L236-I240 PolarHBondContact O-N 2.8Å; L236-L256 HydrophobicContact CD2-CD1 3.51Å; L236-L256 HydrophobicContact CD2-CG 4.36Å; L236-L256 HydrophobicContact CG-CD1 3.91Å
237	L	75.1	Confident	76.1	Confident	80 Å²	80	57.8 Å²	57.8	42%	0.419	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-47.1	176.5	-72.6	170.9	0	0	0	110.9	P233 Y239 I240 E241 L256	P233-L237 VanDerWaalsContact O-CB 3.29Å; P233-L237 WeakPolarHBondContact O-CB 3.32Å; P233-L237 VanDerWaalsContact O-CG 3.25Å; P233-L237 WeakPolarHBondContact O-CG 3.39Å; P233-L237 PolarHBondContact O-N 3.24Å; L237-Y239 VanDerWaalsContact C-N 3.25Å; L237-Y239 PolarHBondContact O-N 2.73Å; L237-I240 PolarHBondContact O-N 3.07Å; L237-E241 WeakPolarHBondContact O-CG 3.23Å; L237-E241 PolarHBondContact O-N 3.49Å; L237-L256 HydrophobicContact CD2-CD1 4.28Å
238	K	78.9	Confident	75.9	Confident	142 Å²	142	57.6 Å²	57.6	62%	0.617	30%	0.302	S	S	*	.	H	α-helix	trans	-57.8	-40.1	173.5	-172	173.9	-174.9	171.4	0	111.4	Q234 G242	Q234-K238 WeakPolarHBondContact O-CB 3.31Å; Q234-K238 PolarHBondContact O-N 3.04Å; K238-G242 PolarHBondContact O-N 2.88Å
239	Y	81.6	Confident	76.1	Confident	53 Å²	53	60.9 Å²	60.9	21%	0.208	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-49.1	174.8	-170	-88.3	0	0	0	111.8	F201 L202 M205 R235 L236 L237 E241 G242 V243	F201-Y239 AromaticContact CE1-CD1 3.82Å; F201-Y239 HydrophobicContact CE1-CD1 3.82Å; F201-Y239 AromaticContact CE1-CE1 3.99Å; F201-Y239 HydrophobicContact CE1-CE1 3.99Å; F201-Y239 HydrophobicContact CE1-CG 4.28Å; F201-Y239 HydrophobicContact CZ-CD1 4.1Å; F201-Y239 HydrophobicContact CZ-CE1 4.22Å; L202-Y239 HydrophobicContact CD2-CD2 4.08Å; L202-Y239 HydrophobicContact CD2-CE2 3.66Å; M205-Y239 HydrophobicContact CB-CE1 4.41Å; M205-Y239 HydrophobicContact CE-CE1 4.2Å; M205-Y239 HydrophobicContact CG-CE1 4.19Å; R235-Y239 VanDerWaalsContact O-CB 3.23Å; R235-Y239 WeakPolarHBondContact O-CB 3.37Å; R235-Y239 PolarHBondContact O-N 3.49Å; L236-Y239 WeakPolarHBondContact O-CB 3.35Å; L236-Y239 PolarHBondContact O-N 2.94Å; L237-Y239 VanDerWaalsContact C-N 3.25Å; L237-Y239 PolarHBondContact O-N 2.73Å; Y239-E241 VanDerWaalsContact C-N 3.29Å; Y239-E241 PolarHBondContact O-N 3.22Å; Y239-G242 PolarHBondContact O-N 3.25Å; Y239-V243 HydrophobicContact CD1-CG2 4.13Å; Y239-V243 HydrophobicContact CE1-CG2 3.97Å; Y239-V243 WeakPolarHBondContact O-CG2 3.48Å; Y239-V243 PolarHBondContact O-N 3.37Å
240	I	82.2	Confident	76.4	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-37.5	178.5	-71.5	167.5	0	0	0	111.6	L236 L237 G242 V243 R249 L252 Q253 L256	L236-I240 HydrophobicContact CD1-CD1 4.29Å; L236-I240 HydrophobicContact CD1-CG1 4.48Å; L236-I240 HydrophobicContact CG-CD1 3.95Å; L236-I240 WeakPolarHBondContact O-CB 3.34Å; L236-I240 WeakPolarHBondContact O-CG1 3.44Å; L236-I240 PolarHBondContact O-N 2.8Å; L237-I240 PolarHBondContact O-N 3.07Å; I240-G242 VanDerWaalsContact C-N 3.33Å; I240-V243 PolarHBondContact O-N 3.03Å; I240-R249 HydrophobicContact CG2-CG 3.72Å; I240-L252 HydrophobicContact CD1-CB 4.02Å; I240-L252 HydrophobicContact CG1-CB 4Å; I240-L252 HydrophobicContact CG1-CD1 4.12Å; I240-Q253 HydrophobicContact CG2-CG 3.79Å; I240-L256 HydrophobicContact CD1-CD1 3.88Å
241	E	80.6	Confident	76.5	Confident	128 Å²	128	62.7 Å²	62.7	60%	0.598	33%	0.329	S	S	*	.	H	α-helix	trans	-66.3	-35	175.1	-75	176.5	-179.4	0	0	112.8	L237 Y239 V243	L237-E241 WeakPolarHBondContact O-CG 3.23Å; L237-E241 PolarHBondContact O-N 3.49Å; Y239-E241 VanDerWaalsContact C-N 3.29Å; Y239-E241 PolarHBondContact O-N 3.22Å; E241-V243 VanDerWaalsContact C-N 3.33Å
242	G	79.1	Confident	76.7	Confident	61 Å²	61	62.8 Å²	62.8	63%	0.629	33%	0.33	S	S	*	.	H	α-helix	trans	-76	-13.3	176	0	0	0	0	0	115	K238 Y239 I240 S244	K238-G242 PolarHBondContact O-N 2.88Å; Y239-G242 PolarHBondContact O-N 3.25Å; I240-G242 VanDerWaalsContact C-N 3.33Å; G242-S244 PolarHBondContact O-N 3.49Å
243	V	81.6	Confident	77.1	Confident	18 Å²	18	65.8 Å²	65.8	11%	0.109	34%	0.343	C	S	.	.			trans	-72.9	121.8	179	174.5	0	0	0	0	110.7	Y239 I240 E241 D245 L248	Y239-V243 HydrophobicContact CD1-CG2 4.13Å; Y239-V243 HydrophobicContact CE1-CG2 3.97Å; Y239-V243 WeakPolarHBondContact O-CG2 3.48Å; Y239-V243 PolarHBondContact O-N 3.37Å; I240-V243 PolarHBondContact O-N 3.03Å; E241-V243 VanDerWaalsContact C-N 3.33Å; V243-D245 HydrophobicContact CG1-CB 4.42Å; V243-L248 HydrophobicContact CG1-CB 4.25Å; V243-L248 HydrophobicContact CG1-CD2 3.95Å; V243-L248 HydrophobicContact CG1-CG 4.32Å
244	S	75.7	Confident	77.8	Confident	128 Å²	128	68.2 Å²	68.2	90%	0.895	36%	0.357	S	S	*	.			trans	-73.7	-27.6	-178.5	-36.8	0	0	0	0	113.8	G242 F246	G242-S244 PolarHBondContact O-N 3.49Å; S244-F246 PolarHBondContact O-N 2.99Å
245	D	79.1	Confident	78.1	Confident	44 Å²	44	63.5 Å²	63.5	24%	0.235	34%	0.336	C	S	.	.			trans	-82.3	116.8	-179.7	-170	-47.7	0	0	0	111.5	V243 N247 L248 R249	V243-D245 HydrophobicContact CG1-CB 4.42Å; D245-N247 VanDerWaalsContact C-N 3.34Å; D245-N247 PolarHBondContact O-N 3.07Å; D245-N247 WeakPolarHBondContact OD1-CB 3.39Å; D245-N247 PolarHBondContact OD1-N 3.5Å; D245-L248 HydrophobicContact CB-CB 4.03Å; D245-L248 PolarHBondContact O-N 3.22Å; D245-L248 PolarHBondContact OD1-N 3.42Å; D245-R249 WeakPolarHBondContact O-CB 3.23Å; D245-R249 PolarHBondContact O-N 2.77Å
246	F	76	Confident	78.1	Confident	149 Å²	149	60.1 Å²	60.1	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-58.9	-40.4	-179.7	-178.4	-97.8	0	0	0	113.5	S244 R249 V250	S244-F246 PolarHBondContact O-N 2.99Å; F246-R249 WeakPolarHBondContact O-CB 3.35Å; F246-R249 PolarHBondContact O-N 3.5Å; F246-V250 HydrophobicContact CD1-CG2 4.23Å; F246-V250 HydrophobicContact CE1-CG2 3.82Å; F246-V250 HydrophobicContact CE2-CG2 4.4Å; F246-V250 HydrophobicContact CZ-CG2 3.91Å; F246-V250 VanDerWaalsContact O-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.44Å; F246-V250 PolarHBondContact O-N 2.97Å
247	N	77.3	Confident	78	Confident	69 Å²	69	66.1 Å²	66.1	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-75	-38	-174.9	-62.8	-78	0	0	0	111.9	R216 D245 R249 V250 A251	R216-N247 PolarHBondContact NH1-ND2 3.06Å; R216-N247 VanDerWaalsContact NH1-ND2 3.12Å; R216-N247 PolarHBondContact NH2-ND2 2.8Å; R216-N247 PolarHBondContact NH2-OD1 3.27Å; D245-N247 VanDerWaalsContact C-N 3.34Å; D245-N247 PolarHBondContact O-N 3.07Å; D245-N247 WeakPolarHBondContact OD1-CB 3.39Å; D245-N247 PolarHBondContact OD1-N 3.5Å; N247-R249 VanDerWaalsContact C-N 3.3Å; N247-V250 PolarHBondContact O-N 3.27Å; N247-A251 WeakPolarHBondContact O-CB 3.28Å; N247-A251 PolarHBondContact O-N 2.99Å
248	L	79.2	Confident	77.7	Confident	7 Å²	7	67.9 Å²	67.9	4%	0.037	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-41.4	173.8	-171.3	62.7	0	0	0	110.3	M205 I208 L209 L212 V219 V243 D245 V250 A251 L252	M205-L248 HydrophobicContact CE-CD1 4.22Å; M205-L248 HydrophobicContact CE-CD2 3.71Å; M205-L248 HydrophobicContact CE-CG 4.11Å; I208-L248 HydrophobicContact CG2-CD1 4.27Å; L209-L248 HydrophobicContact CD2-CD2 4.08Å; L212-L248 HydrophobicContact CD2-CD2 4.13Å; V219-L248 HydrophobicContact CG1-CD1 4.06Å; V219-L248 HydrophobicContact CG2-CD1 3.89Å; V243-L248 HydrophobicContact CG1-CB 4.25Å; V243-L248 HydrophobicContact CG1-CD2 3.95Å; V243-L248 HydrophobicContact CG1-CG 4.32Å; D245-L248 HydrophobicContact CB-CB 4.03Å; D245-L248 PolarHBondContact O-N 3.22Å; D245-L248 PolarHBondContact OD1-N 3.42Å; L248-V250 PolarHBondContact O-N 3.13Å; L248-A251 PolarHBondContact O-N 3.47Å; L248-L252 HydrophobicContact CG-CD1 4.27Å; L248-L252 WeakPolarHBondContact O-CB 2.86Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 3.04Å
249	R	80.9	Confident	77.1	Confident	82 Å²	82	63.3 Å²	63.3	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-46.6	173.9	-172.7	176	-179.8	161.4	1.8	112	I240 D245 F246 N247 L252 Q253	I240-R249 HydrophobicContact CG2-CG 3.72Å; D245-R249 WeakPolarHBondContact O-CB 3.23Å; D245-R249 PolarHBondContact O-N 2.77Å; F246-R249 WeakPolarHBondContact O-CB 3.35Å; F246-R249 PolarHBondContact O-N 3.5Å; N247-R249 VanDerWaalsContact C-N 3.3Å; R249-L252 PolarHBondContact O-N 3.48Å; R249-Q253 WeakPolarHBondContact O-CB 3.23Å; R249-Q253 VanDerWaalsContact O-CG 3.25Å; R249-Q253 WeakPolarHBondContact O-CG 3.12Å; R249-Q253 PolarHBondContact O-N 3.23Å
250	V	79.8	Confident	76.3	Confident	59 Å²	59	63.2 Å²	63.2	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-64.6	-40.9	177.4	171.9	0	0	0	0	111.9	F246 N247 L248 Q253 T254	F246-V250 HydrophobicContact CD1-CG2 4.23Å; F246-V250 HydrophobicContact CE1-CG2 3.82Å; F246-V250 HydrophobicContact CE2-CG2 4.4Å; F246-V250 HydrophobicContact CZ-CG2 3.91Å; F246-V250 VanDerWaalsContact O-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.44Å; F246-V250 PolarHBondContact O-N 2.97Å; N247-V250 PolarHBondContact O-N 3.27Å; L248-V250 PolarHBondContact O-N 3.13Å; V250-Q253 PolarHBondContact O-N 3.37Å; V250-T254 WeakPolarHBondContact O-CB 3.25Å; V250-T254 PolarHBondContact O-N 3.35Å; V250-T254 PolarHBondContact O-OG1 2.92Å
251	A	76.8	Confident	75.4	Confident	32 Å²	32	69.4 Å²	69.4	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-47.4	177.3	0	0	0	0	0	111.5	N247 L248 Q253 T254 L255	N247-A251 WeakPolarHBondContact O-CB 3.28Å; N247-A251 PolarHBondContact O-N 2.99Å; L248-A251 PolarHBondContact O-N 3.47Å; A251-Q253 PolarHBondContact O-N 2.96Å; A251-T254 PolarHBondContact O-N 3.05Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.69Å
252	L	78.1	Confident	74.4	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-41.3	176.9	-70.9	172	0	0	0	112.1	F201 M205 L223 I240 L248 R249 L255 L256	F201-L252 HydrophobicContact CE2-CD2 4Å; F201-L252 HydrophobicContact CZ-CD2 4.3Å; M205-L252 HydrophobicContact CE-CD1 3.91Å; M205-L252 HydrophobicContact SD-CD1 4.39Å; M205-L252 HydrophobicContact SD-CD2 4.18Å; L223-L252 HydrophobicContact CD1-CD2 3.59Å; I240-L252 HydrophobicContact CD1-CB 4.02Å; I240-L252 HydrophobicContact CG1-CB 4Å; I240-L252 HydrophobicContact CG1-CD1 4.12Å; L248-L252 HydrophobicContact CG-CD1 4.27Å; L248-L252 WeakPolarHBondContact O-CB 2.86Å; L248-L252 WeakPolarHBondContact O-CG 3.39Å; L248-L252 PolarHBondContact O-N 3.04Å; R249-L252 PolarHBondContact O-N 3.48Å; L252-L255 PolarHBondContact O-N 2.86Å; L252-L256 VanDerWaalsContact O-CB 3.3Å; L252-L256 WeakPolarHBondContact O-CB 3.48Å; L252-L256 PolarHBondContact O-N 3.43Å
253	Q	78.1	Confident	73.1	Confident	71 Å²	71	66.9 Å²	66.9	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-38.2	176.2	-76.3	179.6	-12.3	0	0	112.5	I240 R249 V250 A251 K257	I240-Q253 HydrophobicContact CG2-CG 3.79Å; R249-Q253 WeakPolarHBondContact O-CB 3.23Å; R249-Q253 VanDerWaalsContact O-CG 3.25Å; R249-Q253 WeakPolarHBondContact O-CG 3.12Å; R249-Q253 PolarHBondContact O-N 3.23Å; V250-Q253 PolarHBondContact O-N 3.37Å; A251-Q253 PolarHBondContact O-N 2.96Å; Q253-K257 WeakPolarHBondContact O-CG 3.28Å; Q253-K257 PolarHBondContact O-N 3.22Å
254	T	78.8	Confident	71.6	Confident	78 Å²	78	74 Å²	74	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-47.3	176.6	-54.9	0	0	0	0	110.9	V250 A251 L256 K257 E258	V250-T254 WeakPolarHBondContact O-CB 3.25Å; V250-T254 PolarHBondContact O-N 3.35Å; V250-T254 PolarHBondContact O-OG1 2.92Å; A251-T254 PolarHBondContact O-N 3.05Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 3.14Å; T254-K257 PolarHBondContact O-N 3.3Å; T254-E258 PolarHBondContact O-N 3.31Å
255	L	73.9	Confident	70.2	Confident	20 Å²	20	71.8 Å²	71.8	11%	0.105	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-45.5	176	-72.6	170.3	0	0	0	111.4	L223 A251 L252 K257 E258 Y259	L223-L255 HydrophobicContact CB-CD1 4.43Å; L223-L255 HydrophobicContact CD1-CD1 3.69Å; A251-L255 WeakPolarHBondContact O-CG 3.38Å; A251-L255 PolarHBondContact O-N 2.69Å; L252-L255 PolarHBondContact O-N 2.86Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.91Å; L255-E258 PolarHBondContact O-N 3.15Å; L255-Y259 HydrophobicContact CD2-CE2 4.44Å; L255-Y259 WeakPolarHBondContact O-CD2 3.32Å; L255-Y259 PolarHBondContact O-N 3.38Å
256	L	72.5	Confident	68.8	Low	32 Å²	32	75.1 Å²	75.1	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-43.6	178.4	-169	154.3	0	0	0	111.5	L236 L237 I240 L252 T254 Y259 C260	L236-L256 HydrophobicContact CD2-CD1 3.51Å; L236-L256 HydrophobicContact CD2-CG 4.36Å; L236-L256 HydrophobicContact CG-CD1 3.91Å; L237-L256 HydrophobicContact CD2-CD1 4.28Å; I240-L256 HydrophobicContact CD1-CD1 3.88Å; L252-L256 VanDerWaalsContact O-CB 3.3Å; L252-L256 WeakPolarHBondContact O-CB 3.48Å; L252-L256 PolarHBondContact O-N 3.43Å; T254-L256 VanDerWaalsContact C-N 3.34Å; T254-L256 PolarHBondContact O-N 3.14Å; L256-Y259 PolarHBondContact O-N 3.3Å; L256-C260 VanDerWaalsContact O-CB 3.29Å; L256-C260 WeakPolarHBondContact O-CB 3.42Å; L256-C260 PolarHBondContact O-N 3.12Å; L256-C260 PolarHBondContact O-SG 2.93Å
257	K	72.2	Confident	67.2	Low	132 Å²	132	77.6 Å²	77.6	57%	0.574	40%	0.404	S	S	*	.	H	α-helix	trans	-61.4	-47.3	175.8	-76.4	177.2	-178.8	-179.2	0	111.9	Q253 T254 L255 Y259 C260 E261	Q253-K257 WeakPolarHBondContact O-CG 3.28Å; Q253-K257 PolarHBondContact O-N 3.22Å; T254-K257 PolarHBondContact O-N 3.3Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 2.91Å; K257-Y259 PolarHBondContact O-N 3.39Å; K257-C260 PolarHBondContact O-N 3.49Å; K257-E261 WeakPolarHBondContact O-CB 3.33Å; K257-E261 WeakPolarHBondContact O-CG 3.46Å; K257-E261 PolarHBondContact O-N 2.71Å
258	E	70.1	Confident	65.4	Low	116 Å²	116	82.7 Å²	82.7	54%	0.542	43%	0.425	S	S	.	.	H	α-helix	trans	-57.7	-47.7	178.3	-171.9	176.8	-178	0	0	111.2	T254 L255 E261 V262	T254-E258 PolarHBondContact O-N 3.31Å; L255-E258 PolarHBondContact O-N 3.15Å; E258-E261 PolarHBondContact O-N 2.63Å; E258-V262 VanDerWaalsContact O-CG2 3.25Å; E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.81Å
259	Y	66.3	Low	63.5	Low	46 Å²	46	88.2 Å²	88.2	18%	0.18	46%	0.455	C	S	.	.	H	α-helix	trans	-67	-39.4	177.3	-75.8	-67.2	0	0	0	113	F228 L255 L256 K257 V262 C263 K279	F228-Y259 HydrophobicContact CB-CD1 4.17Å; F228-Y259 HydrophobicContact CB-CD2 3.61Å; F228-Y259 HydrophobicContact CB-CE2 4.04Å; F228-Y259 HydrophobicContact CB-CG 3.72Å; F228-Y259 HydrophobicContact CD1-CD2 4.28Å; F228-Y259 AromaticContact CD2-CD2 3.69Å; F228-Y259 HydrophobicContact CD2-CD2 3.69Å; F228-Y259 AromaticContact CD2-CE2 3.29Å; F228-Y259 HydrophobicContact CD2-CE2 3.29Å; F228-Y259 AromaticContact CD2-CZ 3.82Å; F228-Y259 HydrophobicContact CE2-CD2 4.44Å; F228-Y259 AromaticContact CE2-CE2 3.85Å; F228-Y259 HydrophobicContact CE2-CE2 3.85Å; F228-Y259 AromaticContact CG-CD2 3.6Å; F228-Y259 HydrophobicContact CG-CD2 3.6Å; F228-Y259 AromaticContact CG-CE2 3.74Å; F228-Y259 HydrophobicContact CG-CE2 3.74Å; F228-Y259 HydrophobicContact CG-CG 4.24Å; L255-Y259 HydrophobicContact CD2-CE2 4.44Å; L255-Y259 WeakPolarHBondContact O-CD2 3.32Å; L255-Y259 PolarHBondContact O-N 3.38Å; L256-Y259 PolarHBondContact O-N 3.3Å; K257-Y259 PolarHBondContact O-N 3.39Å; Y259-V262 PolarHBondContact O-N 3.27Å; Y259-C263 PolarHBondContact O-N 2.8Å; Y259-C263 VanDerWaalsContact O-N 3.08Å; Y259-C263 PolarHBondContact O-SG 3.05Å; Y259-K279 HydrophobicContact CE1-CD 4.45Å; Y259-K279 PolarHBondContact OH-NZ 2.84Å
260	C	64.3	Low	61.6	Low	52 Å²	52	94.1 Å²	94.1	35%	0.351	48%	0.483	S	S	.	.	H	α-helix	trans	-66.2	-36.2	176.3	-74.7	0	0	0	0	112.8	L256 K257 K264	L256-C260 VanDerWaalsContact O-CB 3.29Å; L256-C260 WeakPolarHBondContact O-CB 3.42Å; L256-C260 PolarHBondContact O-N 3.12Å; L256-C260 PolarHBondContact O-SG 2.93Å; K257-C260 PolarHBondContact O-N 3.49Å; C260-K264 WeakPolarHBondContact O-CG 3.4Å; C260-K264 PolarHBondContact O-N 3.2Å
261	E	63.8	Low	59.4	Low	131 Å²	131	101.2 Å²	101.2	61%	0.612	51%	0.509	S	S	*	.	H	α-helix	trans	-70.3	-41.8	176.9	-75.4	177.9	-174.3	0	0	111.7	K257 E258 C263 K264 S265	K257-E261 WeakPolarHBondContact O-CB 3.33Å; K257-E261 WeakPolarHBondContact O-CG 3.46Å; K257-E261 PolarHBondContact O-N 2.71Å; E258-E261 PolarHBondContact O-N 2.63Å; E261-C263 VanDerWaalsContact C-N 3.31Å; E261-C263 PolarHBondContact O-N 2.92Å; E261-K264 PolarHBondContact O-N 2.82Å; E261-K264 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 PolarHBondContact O-OG 3.19Å
262	V	58.1	Low	57.6	Low	63 Å²	63	102.1 Å²	102.1	38%	0.382	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-37.2	174.9	171.1	0	0	0	0	111.8	E258 Y259 K264 Q276	E258-V262 VanDerWaalsContact O-CG2 3.25Å; E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.81Å; Y259-V262 PolarHBondContact O-N 3.27Å; V262-K264 VanDerWaalsContact C-N 3.28Å; V262-K264 PolarHBondContact O-N 3.49Å; V262-Q276 VanDerWaalsContact CG1-NE2 3.29Å
263	C	52.3	Low	55.8	Low	73 Å²	73	105.2 Å²	105.2	49%	0.493	54%	0.535	S	S	.	.	H	α-helix	trans	-69.1	-24.5	176.4	-67	0	0	0	0	113.3	Y259 E261	Y259-C263 PolarHBondContact O-N 2.8Å; Y259-C263 VanDerWaalsContact O-N 3.08Å; Y259-C263 PolarHBondContact O-SG 3.05Å; E261-C263 VanDerWaalsContact C-N 3.31Å; E261-C263 PolarHBondContact O-N 2.92Å
264	K	51.3	Low	53.9	Low	169 Å²	169	110.4 Å²	110.4	74%	0.735	56%	0.556	S	S	*	*	H	α-helix	trans	-82.7	-17.5	-179.3	-73.3	173.3	-176.9	-177.9	0	113.7	C260 E261 V262 P266	C260-K264 WeakPolarHBondContact O-CG 3.4Å; C260-K264 PolarHBondContact O-N 3.2Å; E261-K264 PolarHBondContact O-N 2.82Å; E261-K264 VanDerWaalsContact O-N 3.13Å; V262-K264 VanDerWaalsContact C-N 3.28Å; V262-K264 PolarHBondContact O-N 3.49Å; K264-P266 WeakPolarHBondContact O-CD 3.49Å
265	S	44.5	Very low	52.1	Low	81 Å²	81	113.7 Å²	113.7	57%	0.566	57%	0.57	S	S	*	*			trans	-123.5	67.6	-177	60.1	0	0	0	0	114.1	E261 K267	E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 PolarHBondContact O-OG 3.19Å; S265-K267 PolarHBondContact O-N 2.84Å; S265-K267 VanDerWaalsContact O-N 3.1Å
266	P	49.7	Very low	51	Low	114 Å²	114	116.3 Å²	116.3	74%	0.74	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-8.3	179.4	-14.6	29.1	0	0	0	114.5	K264	K264-P266 WeakPolarHBondContact O-CD 3.49Å
267	K	43.5	Very low	50	Low	201 Å²	201	117.6 Å²	117.6	87%	0.874	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-8.2	-159	-73.5	-170.7	176.3	-179.2	0	116.8	S265	S265-K267 PolarHBondContact O-N 2.84Å; S265-K267 VanDerWaalsContact O-N 3.1Å
268	E	40	Very low	49.4	Very low	175 Å²	175	113.8 Å²	113.8	82%	0.818	58%	0.581	S	S	*	*	S	Bend	trans	-126.6	-12.2	-169.4	-72	-173.6	159.5	0	0	118.5
269	N	39	Very low	49.3	Very low	124 Å²	124	110.4 Å²	110.4	66%	0.663	57%	0.565	S	S	*	*			trans	-110.1	83	-175.5	-84	-20.8	0	0	0	114.6	F271 C272	N269-F271 PolarHBondContact O-N 3.06Å; N269-F271 VanDerWaalsContact O-N 3.08Å; N269-C272 HydrophobicContact CB-CB 4.23Å; N269-C272 PolarHBondContact O-N 2.84Å; N269-C272 VanDerWaalsContact O-N 3.16Å
270	K	40.3	Very low	49.3	Very low	206 Å²	206	112.2 Å²	112.2	90%	0.896	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-12.6	174.6	-75.4	-178.3	177.4	177	0	115.2
271	F	33.9	Very low	49.8	Very low	208 Å²	208	114.1 Å²	114.1	91%	0.912	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-16.7	178.1	-146.9	-95.9	0	0	0	113.5	N269	N269-F271 PolarHBondContact O-N 3.06Å; N269-F271 VanDerWaalsContact O-N 3.08Å
272	C	38.4	Very low	50.4	Low	50 Å²	50	108.5 Å²	108.5	34%	0.338	56%	0.555	S	S	.	*	S	Bend	trans	-92.6	-6.5	-177.9	-99.2	0	0	0	0	114	N269 F274 Q276	N269-C272 HydrophobicContact CB-CB 4.23Å; N269-C272 PolarHBondContact O-N 2.84Å; N269-C272 VanDerWaalsContact O-N 3.16Å; C272-F274 VanDerWaalsContact C-N 3.34Å; C272-F274 PolarHBondContact O-N 3.08Å; C272-Q276 HydrophobicContact CB-CG 4.18Å; C272-Q276 WeakPolarHBondContact O-CB 3.33Å; C272-Q276 WeakPolarHBondContact O-CG 3.35Å; C272-Q276 PolarHBondContact O-N 3.22Å; C272-Q276 PolarHBondContact O-OE1 3.32Å
273	S	41.8	Very low	51.7	Low	67 Å²	67	105.6 Å²	105.6	47%	0.469	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-31.8	-170.5	59.7	0	0	0	0	114.1	T277	S273-T277 WeakPolarHBondContact O-CG2 3.42Å; S273-T277 PolarHBondContact O-N 2.7Å
274	F	38.1	Very low	53.2	Low	180 Å²	180	107.2 Å²	107.2	79%	0.789	54%	0.536	S	S	*	.	H	α-helix	trans	-80.9	-45.7	-176.7	-128.9	-91.5	0	0	0	113	C272 T277	C272-F274 VanDerWaalsContact C-N 3.34Å; C272-F274 PolarHBondContact O-N 3.08Å; F274-T277 PolarHBondContact O-N 3.03Å; F274-T277 PolarHBondContact O-OG1 3.11Å
275	L	39.9	Very low	54.6	Low	147 Å²	147	102.9 Å²	102.9	77%	0.77	52%	0.517	S	S	*	.	H	α-helix	trans	-74.5	-25.3	178.3	-73.8	163.8	0	0	0	113	S278	L275-S278 PolarHBondContact O-OG 3.01Å
276	Q	50.5	Low	56.3	Low	76 Å²	76	99.4 Å²	99.4	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-76.4	-24.9	174.3	-74.3	176	-21.9	0	0	113.1	V262 C272 S278 K279 V280	V262-Q276 VanDerWaalsContact CG1-NE2 3.29Å; C272-Q276 HydrophobicContact CB-CG 4.18Å; C272-Q276 WeakPolarHBondContact O-CB 3.33Å; C272-Q276 WeakPolarHBondContact O-CG 3.35Å; C272-Q276 PolarHBondContact O-N 3.22Å; C272-Q276 PolarHBondContact O-OE1 3.32Å; Q276-S278 VanDerWaalsContact C-N 3.29Å; Q276-S278 PolarHBondContact O-N 3.25Å; Q276-K279 PolarHBondContact O-N 2.84Å; Q276-V280 WeakPolarHBondContact O-CG2 3.47Å; Q276-V280 PolarHBondContact O-N 2.82Å
277	T	52.7	Low	57.9	Low	59 Å²	59	97.1 Å²	97.1	36%	0.362	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-33	-178.6	58.5	0	0	0	0	113.6	S273 F274 R281	S273-T277 WeakPolarHBondContact O-CG2 3.42Å; S273-T277 PolarHBondContact O-N 2.7Å; F274-T277 PolarHBondContact O-N 3.03Å; F274-T277 PolarHBondContact O-OG1 3.11Å; T277-R281 WeakPolarHBondContact O-CD 3.44Å; T277-R281 VanDerWaalsContact O-CG 3.24Å; T277-R281 WeakPolarHBondContact O-CG 3.11Å; T277-R281 PolarHBondContact O-N 3.48Å
278	S	58.6	Low	60	Low	51 Å²	51	90.8 Å²	90.8	36%	0.357	44%	0.442	S	S	.	.	H	α-helix	trans	-74.4	-33.6	177.4	58.5	0	0	0	0	112.7	R227 L275 Q276	R227-S278 WeakPolarHBondContact CD-O 3.35Å; R227-S278 VanDerWaalsContact CZ-O 3.31Å; R227-S278 PolarHBondContact NE-O 2.84Å; R227-S278 PolarHBondContact NH1-O 2.76Å; L275-S278 PolarHBondContact O-OG 3.01Å; Q276-S278 VanDerWaalsContact C-N 3.29Å; Q276-S278 PolarHBondContact O-N 3.25Å
279	K	68.1	Low	62.4	Low	46 Å²	46	85 Å²	85	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-80.4	-13.3	-179.5	-63.4	-158.9	-175.7	-159.5	0	114.5	D224 R227 Y259 Q276	D224-K279 WeakPolarHBondContact O-CE 3.36Å; D224-K279 PolarHBondContact O-NZ 3.17Å; D224-K279 IonicContact OD1-NZ 2.76Å; D224-K279 PolarHBondContact OD1-NZ 3.01Å; R227-K279 WeakPolarHBondContact CB-O 3.44Å; Y259-K279 HydrophobicContact CE1-CD 4.45Å; Y259-K279 PolarHBondContact OH-NZ 2.84Å; Q276-K279 PolarHBondContact O-N 2.84Å
280	V	67.4	Low	65.1	Low	84 Å²	84	79.2 Å²	79.2	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-105.4	-9.1	-179.7	-176.1	0	0	0	0	112	P229 Q276	P229-V280 HydrophobicContact CB-CG2 4.49Å; P229-V280 HydrophobicContact CG-CG2 4.31Å; Q276-V280 WeakPolarHBondContact O-CG2 3.47Å; Q276-V280 PolarHBondContact O-N 2.82Å
281	R	73.9	Confident	67.7	Low	92 Å²	92	69.8 Å²	69.8	35%	0.347	34%	0.341	S	S	.	.	S	Bend	trans	-102	150.1	176.9	-68.8	174.9	-173.8	-172.5	2.6	110.9	R227 L230 T277	R227-R281 WeakPolarHBondContact CD-O 3.44Å; R227-R281 PolarHBondContact NH1-O 2.7Å; L230-R281 WeakPolarHBondContact CD1-O 3.19Å; T277-R281 WeakPolarHBondContact O-CD 3.44Å; T277-R281 VanDerWaalsContact O-CG 3.24Å; T277-R281 WeakPolarHBondContact O-CG 3.11Å; T277-R281 PolarHBondContact O-N 3.48Å
282	P	76.9	Confident	70.7	Confident	13 Å²	13	59.9 Å²	59.9	8%	0.084	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-59.6	158	167.6	-20.7	32	0	0	0	111.9	R227 F319 N532	R227-P282 PolarHBondContact NH1-O 3.44Å; P282-F319 WeakPolarHBondContact O-CD2 3.45Å; P282-N532 HydrophobicContact CG-CB 4.27Å; P282-N532 WeakPolarHBondContact CG-ND2 3.39Å
283	R	84.7	Confident	73.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.008	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.7	175.1	-67.5	-179.5	-171.6	-98	-2.9	110.5	L187 S189 E190 I194 E197 P225 R227 K285 A286 R287	L187-R283 VanDerWaalsContact O-CZ 3.26Å; L187-R283 PolarHBondContact O-NH1 3.06Å; L187-R283 PolarHBondContact O-NH2 3.38Å; S189-R283 PolarHBondContact O-NH1 2.8Å; E190-R283 WeakPolarHBondContact OE2-CA 3.45Å; I194-R283 HydrophobicContact CD1-CG 4.32Å; E197-R283 IonicContact OE1-CZ 3.02Å; E197-R283 IonicContact OE1-NE 2.62Å; E197-R283 IonicContact OE1-NH2 2.58Å; E197-R283 PolarHBondContact OE1-NH2 3.41Å; E197-R283 IonicContact OE2-CZ 3.53Å; E197-R283 IonicContact OE2-NE 3.87Å; E197-R283 PolarHBondContact OE2-NE 3.38Å; E197-R283 IonicContact OE2-NH2 3.05Å; P225-R283 PolarHBondContact O-NH2 3.14Å; P225-R283 VanDerWaalsContact O-NH2 3.15Å; R227-R283 VanDerWaalsContact CZ-CG 3.46Å; R227-R283 VanDerWaalsContact NH1-CA 3.3Å; R227-R283 VanDerWaalsContact NH1-N 3.13Å; R283-K285 PolarHBondContact O-N 3.07Å; R283-A286 HydrophobicContact CB-CB 4.03Å; R283-A286 CarbonylContact O-C 3.53Å; R283-A286 WeakPolarHBondContact O-CA 3.38Å; R283-A286 PolarHBondContact O-N 3.45Å; R283-R287 PolarHBondContact O-N 2.84Å; R283-R287 VanDerWaalsContact O-N 3.14Å
284	K	83.1	Confident	76	Confident	107 Å²	107	54.3 Å²	54.3	47%	0.465	26%	0.259	S	S	.	.	S	Bend	trans	-54.6	-37.3	-178.3	-176.2	179.4	159.1	-142	0	113.3	E190 E191 R287 F319	E190-K284 HydrophobicContact CB-CB 3.88Å; E190-K284 PolarHBondContact O-N 3.2Å; E190-K284 PolarHBondContact OE2-N 3.01Å; E191-K284 WeakPolarHBondContact OE1-CD 3.47Å; E191-K284 IonicContact OE1-NZ 3.72Å; E191-K284 PolarHBondContact OE1-NZ 3.4Å; K284-R287 WeakPolarHBondContact O-CB 3.36Å; K284-R287 PolarHBondContact O-N 3.19Å; K284-F319 HydrophobicContact CB-CE2 4.15Å; K284-F319 HydrophobicContact CB-CZ 4.37Å
285	K	82.4	Confident	78.7	Confident	78 Å²	78	45.8 Å²	45.8	34%	0.339	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-22.3	176.5	-164.1	177.2	-173.3	175.6	0	114.1	E190 E191 R283 R287	E190-K285 PolarHBondContact O-N 3.08Å; E191-K285 WeakPolarHBondContact O-CD 3.34Å; E191-K285 PolarHBondContact O-NZ 2.66Å; R283-K285 PolarHBondContact O-N 3.07Å; K285-R287 PolarHBondContact O-N 2.9Å
286	A	79.1	Confident	81.3	Confident	7 Å²	7	39.9 Å²	39.9	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	13.5	166.1	0	0	0	0	0	112.7	I194 R283 K288	I194-A286 HydrophobicContact CG1-CB 3.86Å; R283-A286 HydrophobicContact CB-CB 4.03Å; R283-A286 CarbonylContact O-C 3.53Å; R283-A286 WeakPolarHBondContact O-CA 3.38Å; R283-A286 PolarHBondContact O-N 3.45Å; A286-K288 PolarHBondContact O-N 3.02Å
287	R	83.6	Confident	83.3	Confident	66 Å²	66	37.3 Å²	37.3	25%	0.249	18%	0.179	C	C	.	.			trans	-63.5	127.2	176.1	174.7	-178.9	-176.6	-176.1	-1.7	109.3	R283 K284 K285 Y289 D317 F319	R283-R287 PolarHBondContact O-N 2.84Å; R283-R287 VanDerWaalsContact O-N 3.14Å; K284-R287 WeakPolarHBondContact O-CB 3.36Å; K284-R287 PolarHBondContact O-N 3.19Å; K285-R287 PolarHBondContact O-N 2.9Å; R287-Y289 HydrophobicContact CG-CE2 4.31Å; R287-Y289 VanDerWaalsContact CZ-CZ 3.48Å; R287-Y289 VanDerWaalsContact NE-CZ 3.26Å; R287-Y289 PolarHBondContact NE-OH 2.9Å; R287-Y289 VanDerWaalsContact NE-OH 3.08Å; R287-Y289 PolarHBondContact NH1-OH 2.94Å; R287-Y289 VanDerWaalsContact NH2-CE1 3.3Å; R287-Y289 PolarHBondContact NH2-OH 2.95Å; R287-D317 WeakPolarHBondContact CD-OD1 3.35Å; R287-D317 VanDerWaalsContact CG-OD1 3.29Å; R287-D317 WeakPolarHBondContact CG-OD1 3.45Å; R287-D317 IonicContact CZ-OD1 3.07Å; R287-D317 IonicContact CZ-OD2 3.44Å; R287-D317 IonicContact NE-OD1 3.99Å; R287-D317 PolarHBondContact NE-OD1 3.3Å; R287-D317 IonicContact NE-OD2 3.78Å; R287-D317 PolarHBondContact NE-OD2 2.79Å; R287-D317 IonicContact NH1-OD2 2.74Å; R287-D317 IonicContact NH2-OD1 2.74Å; R287-D317 IonicContact NH2-OD2 2.61Å; R287-D317 PolarHBondContact NH2-OD2 3.11Å; R287-F319 HydrophobicContact CB-CB 4.23Å; R287-F319 HydrophobicContact CG-CB 3.91Å
288	K	87.6	Confident	85	Confident	68 Å²	68	35 Å²	35	30%	0.296	16%	0.164	S	C	.	.			trans	-113.1	152.7	175.2	-65.3	-60	-170	-179.5	0	109.9	A286 T318 V531 V583 L584	A286-K288 PolarHBondContact O-N 3.02Å; K288-T318 HydrophobicContact CB-CG2 4.15Å; K288-T318 PolarHBondContact N-OG1 2.72Å; K288-T318 WeakPolarHBondContact O-CG2 3.44Å; K288-T318 PolarHBondContact O-N 3.31Å; K288-T318 VanDerWaalsContact O-N 3.12Å; K288-T318 PolarHBondContact O-OG1 3.35Å; K288-T318 VanDerWaalsContact O-OG1 3.1Å; K288-V531 HydrophobicContact CB-CG1 3.59Å; K288-V531 HydrophobicContact CG-CG1 3.93Å; K288-V583 HydrophobicContact CB-CG1 4.22Å; K288-V583 HydrophobicContact CD-CG1 4.49Å; K288-L584 CarbonylContact C-O 3.5Å; K288-L584 VanDerWaalsContact CA-O 3.28Å; K288-L584 WeakPolarHBondContact CA-O 3.38Å; K288-L584 WeakPolarHBondContact CD-O 3.31Å; K288-L584 VanDerWaalsContact CD-OXT 3.23Å; K288-L584 WeakPolarHBondContact CD-OXT 3.42Å; K288-L584 PolarHBondContact NZ-OXT 3.39Å
289	Y	91.3	Very high	86.1	Confident	55 Å²	55	39.1 Å²	39.1	22%	0.216	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.6	177.8	-62.6	-83.5	0	0	0	109.8	R287 R315 F316 D317 V583 L584	R287-Y289 HydrophobicContact CG-CE2 4.31Å; R287-Y289 VanDerWaalsContact CZ-CZ 3.48Å; R287-Y289 VanDerWaalsContact NE-CZ 3.26Å; R287-Y289 PolarHBondContact NE-OH 2.9Å; R287-Y289 VanDerWaalsContact NE-OH 3.08Å; R287-Y289 PolarHBondContact NH1-OH 2.94Å; R287-Y289 VanDerWaalsContact NH2-CE1 3.3Å; R287-Y289 PolarHBondContact NH2-OH 2.95Å; Y289-R315 VanDerWaalsContact CD1-CD 3.5Å; Y289-R315 HydrophobicContact CD1-CG 3.85Å; Y289-R315 HydrophobicContact CG-CG 4.27Å; Y289-F316 VanDerWaalsContact CA-O 3.29Å; Y289-F316 WeakPolarHBondContact CA-O 3.28Å; Y289-D317 HydrophobicContact CD1-CB 4.31Å; Y289-D317 HydrophobicContact CE1-CB 4.3Å; Y289-V583 WeakPolarHBondContact O-CA 3.14Å; Y289-L584 PolarHBondContact N-O 2.94Å; Y289-L584 PolarHBondContact O-N 2.8Å
290	L	94.1	Very high	86.4	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.4	171.1	-65.5	58.7	0	0	0	107.7	R315 F316 T318 V529 V531 Y536 V581 A582 V583	L290-R315 CarbonylContact O-C 3.57Å; L290-R315 WeakPolarHBondContact O-CA 3.34Å; L290-F316 HydrophobicContact CB-CB 4.13Å; L290-F316 HydrophobicContact CD1-CD1 4.19Å; L290-F316 HydrophobicContact CD2-CD1 4.38Å; L290-F316 PolarHBondContact N-O 3.35Å; L290-F316 PolarHBondContact O-N 3.2Å; L290-T318 HydrophobicContact CD1-CG2 3.5Å; L290-V529 HydrophobicContact CD2-CG1 3.76Å; L290-V529 HydrophobicContact CG-CG1 3.99Å; L290-V531 HydrophobicContact CD1-CB 4.45Å; L290-V531 HydrophobicContact CD1-CG1 4.33Å; L290-V531 HydrophobicContact CD1-CG2 3.83Å; L290-V531 HydrophobicContact CD2-CG2 4.49Å; L290-V531 HydrophobicContact CG-CG2 4.11Å; L290-Y536 HydrophobicContact CD2-CD1 3.87Å; L290-Y536 HydrophobicContact CD2-CD2 4.31Å; L290-Y536 HydrophobicContact CD2-CG 3.71Å; L290-V581 HydrophobicContact CB-CG2 4.36Å; L290-A582 CarbonylContact C-O 3.49Å; L290-A582 VanDerWaalsContact CA-O 3.31Å; L290-A582 WeakPolarHBondContact CA-O 3.36Å; L290-V583 HydrophobicContact CD1-CG2 4.27Å; L290-V583 HydrophobicContact CG-CG2 3.86Å
291	Y	95.8	Very high	86.5	Confident	8 Å²	8	44.4 Å²	44.4	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.7	176.1	-68.8	-97.9	0	0	0	108.6	V313 E314 R315 V326 V345 Y363 V581 A582 L584	Y291-V313 HydrophobicContact CD1-CG1 4.18Å; Y291-E314 CarbonylContact C-O 3.54Å; Y291-E314 WeakPolarHBondContact CA-O 3.34Å; Y291-R315 HydrophobicContact CD1-CB 4.1Å; Y291-R315 HydrophobicContact CD1-CG 4.11Å; Y291-R315 HydrophobicContact CE1-CB 3.98Å; Y291-R315 HydrophobicContact CE1-CG 3.71Å; Y291-R315 HydrophobicContact CE2-CG 4.17Å; Y291-R315 WeakPolarHBondContact OH-CD 3.48Å; Y291-V326 HydrophobicContact CD1-CG2 4.16Å; Y291-V326 HydrophobicContact CE1-CG2 4.21Å; Y291-V345 HydrophobicContact CD2-CG2 4.32Å; Y291-V345 HydrophobicContact CG-CG2 4.43Å; Y291-Y363 HydrophobicContact CD1-CE1 4.43Å; Y291-Y363 HydrophobicContact CE1-CD1 4.4Å; Y291-Y363 AromaticContact CE1-CE1 3.73Å; Y291-Y363 HydrophobicContact CE1-CE1 3.73Å; Y291-V581 VanDerWaalsContact O-CA 3.25Å; Y291-V581 WeakPolarHBondContact O-CA 3.32Å; Y291-A582 PolarHBondContact N-O 3.48Å; Y291-A582 PolarHBondContact O-N 2.81Å; Y291-L584 HydrophobicContact CD2-CD1 4.22Å; Y291-L584 HydrophobicContact CD2-CG 4.5Å; Y291-L584 HydrophobicContact CE2-CB 4.06Å; Y291-L584 HydrophobicContact CE2-CD1 3.57Å; Y291-L584 HydrophobicContact CE2-CG 4.09Å
292	A	96	Very high	86.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.3	169.1	0	0	0	0	0	108.8	V313 E314 W323 M572 R576	A292-V313 WeakPolarHBondContact O-CA 3.23Å; A292-E314 PolarHBondContact N-O 2.86Å; A292-E314 PolarHBondContact O-N 3.35Å; A292-W323 HydrophobicContact CB-CH2 4.18Å; A292-W323 HydrophobicContact CB-CZ3 3.81Å; A292-M572 HydrophobicContact CB-SD 4.16Å; A292-R576 VanDerWaalsContact C-NH1 3.3Å; A292-R576 PolarHBondContact O-NH1 2.76Å
293	V	96.8	Very high	86.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.2	-168.6	-179	0	0	0	0	109.5	V313 L329 L336 V338 V345 A347 W370 G579 G580	V293-V313 HydrophobicContact CB-CG2 4.47Å; V293-V313 HydrophobicContact CG1-CG2 4.07Å; V293-V313 HydrophobicContact CG2-CG1 3.84Å; V293-V313 HydrophobicContact CG2-CG2 4.43Å; V293-L329 HydrophobicContact CG1-CD1 3.75Å; V293-L329 HydrophobicContact CG1-CD2 4.01Å; V293-L329 HydrophobicContact CG1-CG 4.06Å; V293-L336 HydrophobicContact CG1-CD1 3.98Å; V293-V338 HydrophobicContact CB-CG2 3.97Å; V293-V338 HydrophobicContact CG1-CG2 4.2Å; V293-V338 HydrophobicContact CG2-CG1 4.17Å; V293-V338 HydrophobicContact CG2-CG2 4.44Å; V293-V345 HydrophobicContact CG2-CG1 4.44Å; V293-A347 HydrophobicContact CG1-CB 4.19Å; V293-W370 HydrophobicContact CG1-CH2 4.17Å; V293-W370 HydrophobicContact CG1-CZ2 4.4Å; V293-W370 HydrophobicContact CG2-CH2 4.44Å; V293-G579 WeakPolarHBondContact O-CA 3.46Å; V293-G580 PolarHBondContact N-O 2.95Å; V293-G580 PolarHBondContact O-N 3.36Å
294	G	95.6	Very high	86	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.			trans	59.7	-146	172.4	0	0	0	0	0	114.2	L310 C312 R576	G294-L310 WeakPolarHBondContact CA-O 3.35Å; G294-C312 PolarHBondContact N-O 3.18Å; G294-R576 PolarHBondContact O-NH1 2.95Å; G294-R576 VanDerWaalsContact O-NH1 3.09Å
295	G	95.1	Very high	85.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.			trans	97.2	-168.3	-171.6	0	0	0	0	0	111.9	A309 L310 R333 C577	G295-A309 CarbonylContact O-C 3.6Å; G295-L310 WeakPolarHBondContact O-CB 3.41Å; G295-L310 PolarHBondContact O-N 3.47Å; G295-R333 PolarHBondContact N-O 2.95Å; G295-C577 CarbonylContact C-O 3.52Å; G295-C577 WeakPolarHBondContact CA-O 3.43Å
296	Y	93.7	Very high	85.7	Confident	23 Å²	23	56.4 Å²	56.4	9%	0.09	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.4	169.3	75.1	-94.3	0	0	0	110.8	R298 R308 R541 T552 R576 C577 E578	Y296-R298 HydrophobicContact CE2-CB 4.46Å; Y296-R308 CarbonylContact C-O 3.6Å; Y296-R308 VanDerWaalsContact CA-O 3.23Å; Y296-R308 WeakPolarHBondContact CA-O 3.46Å; Y296-R541 WeakPolarHBondContact OH-CD 3.39Å; Y296-T552 HydrophobicContact CD2-CG2 4.01Å; Y296-T552 HydrophobicContact CE2-CG2 3.61Å; Y296-R576 CarbonylContact O-C 3.54Å; Y296-R576 VanDerWaalsContact O-CA 3.32Å; Y296-R576 WeakPolarHBondContact O-CA 3.26Å; Y296-C577 HydrophobicContact CD1-CB 4.25Å; Y296-C577 WeakPolarHBondContact CD1-O 3.48Å; Y296-C577 HydrophobicContact CE1-CB 3.69Å; Y296-C577 HydrophobicContact CE2-CB 4.09Å; Y296-C577 PolarHBondContact N-O 3.38Å; Y296-C577 PolarHBondContact O-N 2.78Å; Y296-C577 PolarHBondContact OH-SG 3.08Å; Y296-E578 HydrophobicContact CD1-CB 4.26Å; Y296-E578 HydrophobicContact CE1-CB 4.21Å; Y296-E578 HydrophobicContact CE1-CG 4.09Å
297	T	92.4	Very high	85.9	Confident	23 Å²	23	58.7 Å²	58.7	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.8	172.2	-169.2	0	0	0	0	110.6	R308 L310 T552 S575	T297-R308 HydrophobicContact CG2-CB 4.12Å; T297-R308 PolarHBondContact N-O 3.19Å; T297-R308 PolarHBondContact O-N 2.94Å; T297-L310 HydrophobicContact CG2-CD2 3.78Å; T297-L310 HydrophobicContact CG2-CG 4.41Å; T297-T552 PolarHBondContact OG1-OG1 3.15Å; T297-S575 WeakPolarHBondContact CB-O 3.23Å; T297-S575 PolarHBondContact OG1-O 3.06Å; T297-S575 PolarHBondContact OG1-OG 3.22Å; T297-S575 VanDerWaalsContact OG1-OG 3.08Å
298	R	89.1	Confident	86.2	Confident	10 Å²	10	64.4 Å²	64.4	4%	0.038	32%	0.317	C	S	.	.			trans	-147.2	123.7	172	-176.6	168.2	57.8	-160.6	-7.6	110.1	Y296 P550 G551 T552	Y296-R298 HydrophobicContact CE2-CB 4.46Å; R298-P550 PolarHBondContact NE-O 2.91Å; R298-P550 PolarHBondContact NH2-O 3.03Å; R298-G551 WeakPolarHBondContact O-CA 3.25Å; R298-T552 HydrophobicContact CB-CG2 4.22Å; R298-T552 PolarHBondContact N-OG1 3.05Å; R298-T552 PolarHBondContact O-N 2.92Å; R298-T552 PolarHBondContact O-OG1 3.35Å
299	L	80.9	Confident	86.4	Confident	138 Å²	138	62.6 Å²	62.6	72%	0.723	32%	0.315	S	S	*	.			trans	-68.7	146.4	176.7	-62.9	176.8	0	0	0	111.1	G301 G302	L299-G301 PolarHBondContact O-N 3.5Å; L299-G302 PolarHBondContact O-N 2.97Å
300	Q	74.8	Confident	86.6	Confident	186 Å²	186	60.9 Å²	60.9	87%	0.869	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	132.2	177.8	-167	171.6	21.8	0	0	110.7	G302	Q300-G302 VanDerWaalsContact C-N 3.28Å; Q300-G302 PolarHBondContact O-N 3.43Å
301	G	70.6	Confident	86.6	Confident	55 Å²	55	62.9 Å²	62.9	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	4.2	-176.8	0	0	0	0	0	114.9	L299	L299-G301 PolarHBondContact O-N 3.5Å
302	G	71.4	Confident	86.6	Confident	18 Å²	18	63.6 Å²	63.6	19%	0.186	33%	0.329	C	S	.	.			trans	-72.3	171.8	172	0	0	0	0	0	113.4	L299 Q300 A549	L299-G302 PolarHBondContact O-N 2.97Å; Q300-G302 VanDerWaalsContact C-N 3.28Å; Q300-G302 PolarHBondContact O-N 3.43Å; G302-A549 WeakPolarHBondContact O-CB 3.38Å
303	R	76.9	Confident	86.6	Confident	188 Å²	188	63.6 Å²	63.6	71%	0.709	33%	0.329	S	S	*	.			trans	-80.4	161.4	171.8	-58.9	-178.2	-175.8	-141.5	-0.2	110.4	S305 D306	R303-S305 WeakPolarHBondContact CB-OG 3.45Å; R303-S305 PolarHBondContact O-N 2.88Å; R303-D306 PolarHBondContact N-OD2 3.48Å; R303-D306 WeakPolarHBondContact O-CB 3.3Å; R303-D306 PolarHBondContact O-N 3.49Å
304	W	76	Confident	86.5	Confident	166 Å²	166	63.6 Å²	63.6	63%	0.629	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.9	172.9	-74.6	82.8	0	0	0	112.5	D306 A549	W304-D306 PolarHBondContact O-N 2.93Å; W304-A549 HydrophobicContact CD2-CB 4.19Å; W304-A549 HydrophobicContact CG-CB 3.97Å
305	S	77.3	Confident	86.5	Confident	92 Å²	92	66.1 Å²	66.1	64%	0.643	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-68	-14.7	175.7	54.3	0	0	0	0	114.8	R303 S307	R303-S305 WeakPolarHBondContact CB-OG 3.45Å; R303-S305 PolarHBondContact O-N 2.88Å; S305-S307 PolarHBondContact O-N 3.47Å
306	D	80.7	Confident	86.4	Confident	79 Å²	79	66.1 Å²	66.1	42%	0.422	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-86.8	8.1	-173.2	-56.2	-13.8	0	0	0	112	R303 W304	R303-D306 PolarHBondContact N-OD2 3.48Å; R303-D306 WeakPolarHBondContact O-CB 3.3Å; R303-D306 PolarHBondContact O-N 3.49Å; W304-D306 PolarHBondContact O-N 2.93Å
307	S	84	Confident	86.2	Confident	55 Å²	55	65.1 Å²	65.1	39%	0.385	34%	0.335	S	S	.	.			trans	-66.8	133.9	173.3	65.8	0	0	0	0	110.7	S305	S305-S307 PolarHBondContact O-N 3.47Å
308	R	89.4	Confident	85.8	Confident	187 Å²	187	64 Å²	64	71%	0.706	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.2	-179.3	-69.2	173.7	61	172.7	-1.1	109.8	Y296 T297	Y296-R308 CarbonylContact C-O 3.6Å; Y296-R308 VanDerWaalsContact CA-O 3.23Å; Y296-R308 WeakPolarHBondContact CA-O 3.46Å; T297-R308 HydrophobicContact CG2-CB 4.12Å; T297-R308 PolarHBondContact N-O 3.19Å; T297-R308 PolarHBondContact O-N 2.94Å
309	A	93.2	Very high	85.5	Confident	29 Å²	29	66.2 Å²	66.2	24%	0.24	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	140.5	169.5	0	0	0	0	0	110.3	G295 A332 K352	G295-A309 CarbonylContact O-C 3.6Å; A309-A332 HydrophobicContact CB-CB 4.06Å; A309-K352 HydrophobicContact CB-CB 4.5Å; A309-K352 HydrophobicContact CB-CG 4.05Å
310	L	94.1	Very high	85.6	Confident	20 Å²	20	61.3 Å²	61.3	11%	0.105	32%	0.315	C	S	.	.			trans	-105.1	136.7	-177.4	-62.2	175.2	0	0	0	109.7	G294 G295 T297 A332 R333 T574 R576	G294-L310 WeakPolarHBondContact CA-O 3.35Å; G295-L310 WeakPolarHBondContact O-CB 3.41Å; G295-L310 PolarHBondContact O-N 3.47Å; T297-L310 HydrophobicContact CG2-CD2 3.78Å; T297-L310 HydrophobicContact CG2-CG 4.41Å; L310-A332 WeakPolarHBondContact O-CA 3.36Å; L310-R333 PolarHBondContact O-N 2.94Å; L310-R333 VanDerWaalsContact O-N 3.12Å; L310-T574 HydrophobicContact CD1-CG2 4.07Å; L310-T574 HydrophobicContact CD2-CG2 4.13Å; L310-R576 HydrophobicContact CD1-CB 3.83Å
311	S	95.1	Very high	86.1	Confident	43 Å²	43	55.3 Å²	55.3	30%	0.301	29%	0.287	S	S	.	.			trans	-99.7	-10.1	162.5	54.9	0	0	0	0	112.1	S328 L329	S311-S328 CarbonylContact O-C 3.41Å; S311-S328 WeakPolarHBondContact O-CA 3.29Å; S311-S328 WeakPolarHBondContact O-CB 3.41Å; S311-L329 PolarHBondContact O-N 3.07Å
312	C	94.8	Very high	86.9	Confident	23 Å²	23	58.2 Å²	58.2	16%	0.155	28%	0.282	C	S	.	.			trans	-68	143.1	-174.6	65.8	0	0	0	0	111.6	G294	G294-C312 PolarHBondContact N-O 3.18Å
313	V	96.3	Very high	87.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.6	175.5	-175.3	0	0	0	0	107.6	Y291 A292 V293 V326 L329 W370	Y291-V313 HydrophobicContact CD1-CG1 4.18Å; A292-V313 WeakPolarHBondContact O-CA 3.23Å; V293-V313 HydrophobicContact CB-CG2 4.47Å; V293-V313 HydrophobicContact CG1-CG2 4.07Å; V293-V313 HydrophobicContact CG2-CG1 3.84Å; V293-V313 HydrophobicContact CG2-CG2 4.43Å; V313-V326 HydrophobicContact CB-CG2 3.72Å; V313-V326 HydrophobicContact CG1-CG2 3.51Å; V313-V326 PolarHBondContact O-N 2.88Å; V313-L329 HydrophobicContact CG2-CG 4.19Å; V313-W370 HydrophobicContact CG1-CZ2 4.42Å; V313-W370 HydrophobicContact CG2-CZ2 3.81Å
314	E	95.4	Very high	88.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.2	179.5	-67.6	176.1	-146.5	0	0	109.3	Y291 A292 W323 T324 M572 I573 T574 R576	Y291-E314 CarbonylContact C-O 3.54Å; Y291-E314 WeakPolarHBondContact CA-O 3.34Å; A292-E314 PolarHBondContact N-O 2.86Å; A292-E314 PolarHBondContact O-N 3.35Å; E314-W323 HydrophobicContact CB-CE3 3.78Å; E314-W323 HydrophobicContact CB-CZ3 4.16Å; E314-T324 CarbonylContact C-O 3.55Å; E314-T324 WeakPolarHBondContact CA-O 3.37Å; E314-M572 WeakPolarHBondContact OE2-CB 3.33Å; E314-I573 HydrophobicContact CG-CB 4.49Å; E314-I573 HydrophobicContact CG-CD1 4.42Å; E314-I573 WeakPolarHBondContact OE2-CB 3.18Å; E314-I573 PolarHBondContact OE2-N 2.83Å; E314-T574 WeakPolarHBondContact OE1-CA 3.39Å; E314-T574 WeakPolarHBondContact OE1-CB 3.37Å; E314-T574 PolarHBondContact OE1-N 3.25Å; E314-T574 PolarHBondContact OE1-OG1 3.17Å; E314-R576 VanDerWaalsContact CG-NH2 3.29Å; E314-R576 IonicContact OE1-CZ 2.79Å; E314-R576 IonicContact OE1-NH2 3Å; E314-R576 PolarHBondContact OE1-NH2 3.18Å; E314-R576 IonicContact OE2-NH2 2.69Å
315	R	94.8	Very high	89.6	Confident	53 Å²	53	47.7 Å²	47.7	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117	-177.7	-175.2	-169.2	64.7	167.3	-1.6	109.7	Y289 L290 Y291 W323 T324 V326	Y289-R315 VanDerWaalsContact CD1-CD 3.5Å; Y289-R315 HydrophobicContact CD1-CG 3.85Å; Y289-R315 HydrophobicContact CG-CG 4.27Å; L290-R315 CarbonylContact O-C 3.57Å; L290-R315 WeakPolarHBondContact O-CA 3.34Å; Y291-R315 HydrophobicContact CD1-CB 4.1Å; Y291-R315 HydrophobicContact CD1-CG 4.11Å; Y291-R315 HydrophobicContact CE1-CB 3.98Å; Y291-R315 HydrophobicContact CE1-CG 3.71Å; Y291-R315 HydrophobicContact CE2-CG 4.17Å; Y291-R315 WeakPolarHBondContact OH-CD 3.48Å; R315-W323 CarbonylContact O-C 3.55Å; R315-W323 WeakPolarHBondContact O-CA 3.39Å; R315-T324 PolarHBondContact N-O 3.32Å; R315-T324 PolarHBondContact NE-OG1 3.07Å; R315-T324 PolarHBondContact NH2-OG1 3.44Å; R315-T324 PolarHBondContact O-N 3.05Å; R315-T324 PolarHBondContact O-OG1 2.7Å; R315-V326 HydrophobicContact CB-CG1 3.7Å; R315-V326 HydrophobicContact CB-CG2 4.48Å
316	F	92.8	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.9	170	-174.2	-113.1	0	0	0	110.5	Y289 L290 T318 Q321 W323 Y536 I569	Y289-F316 VanDerWaalsContact CA-O 3.29Å; Y289-F316 WeakPolarHBondContact CA-O 3.28Å; L290-F316 HydrophobicContact CB-CB 4.13Å; L290-F316 HydrophobicContact CD1-CD1 4.19Å; L290-F316 HydrophobicContact CD2-CD1 4.38Å; L290-F316 PolarHBondContact N-O 3.35Å; L290-F316 PolarHBondContact O-N 3.2Å; F316-T318 HydrophobicContact CD1-CG2 4.48Å; F316-Q321 VanDerWaalsContact CE2-C 3.44Å; F316-Q321 HydrophobicContact CZ-CB 4.19Å; F316-W323 HydrophobicContact CB-CD2 3.7Å; F316-W323 HydrophobicContact CB-CE3 3.65Å; F316-W323 HydrophobicContact CB-CG 4.46Å; F316-W323 HydrophobicContact CB-CH2 3.68Å; F316-W323 HydrophobicContact CB-CZ2 3.69Å; F316-W323 HydrophobicContact CB-CZ3 3.66Å; F316-W323 AromaticContact CD2-CD1 3.62Å; F316-W323 AromaticContact CD2-CD2 3.84Å; F316-W323 HydrophobicContact CD2-CD2 3.84Å; F316-W323 AromaticContact CD2-CE2 3.52Å; F316-W323 AromaticContact CD2-CG 3.9Å; F316-W323 HydrophobicContact CD2-CG 3.9Å; F316-W323 HydrophobicContact CD2-CZ2 4.1Å; F316-W323 AromaticContact CD2-NE1 3.38Å; F316-W323 AromaticContact CE2-NE1 3.89Å; F316-W323 HydrophobicContact CG-CD2 4.19Å; F316-W323 AromaticContact CG-CE2 3.86Å; F316-W323 HydrophobicContact CG-CH2 4.46Å; F316-W323 AromaticContact CG-CZ2 3.99Å; F316-W323 HydrophobicContact CG-CZ2 3.99Å; F316-Y536 AromaticContact CE1-CE1 3.99Å; F316-Y536 HydrophobicContact CE1-CE1 3.99Å; F316-I569 HydrophobicContact CE1-CD1 3.89Å; F316-I569 HydrophobicContact CE2-CD1 4.18Å; F316-I569 HydrophobicContact CZ-CD1 3.56Å
317	D	89.8	Confident	91.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.5	173.6	170.6	15.6	0	0	0	110.8	R287 Y289 F319 S320 Q321 Y322	R287-D317 WeakPolarHBondContact CD-OD1 3.35Å; R287-D317 VanDerWaalsContact CG-OD1 3.29Å; R287-D317 WeakPolarHBondContact CG-OD1 3.45Å; R287-D317 IonicContact CZ-OD1 3.07Å; R287-D317 IonicContact CZ-OD2 3.44Å; R287-D317 IonicContact NE-OD1 3.99Å; R287-D317 PolarHBondContact NE-OD1 3.3Å; R287-D317 IonicContact NE-OD2 3.78Å; R287-D317 PolarHBondContact NE-OD2 2.79Å; R287-D317 IonicContact NH1-OD2 2.74Å; R287-D317 IonicContact NH2-OD1 2.74Å; R287-D317 IonicContact NH2-OD2 2.61Å; R287-D317 PolarHBondContact NH2-OD2 3.11Å; Y289-D317 HydrophobicContact CD1-CB 4.31Å; Y289-D317 HydrophobicContact CE1-CB 4.3Å; D317-F319 PolarHBondContact O-N 3.05Å; D317-F319 WeakPolarHBondContact OD1-CB 3.29Å; D317-F319 PolarHBondContact OD1-N 3.46Å; D317-S320 VanDerWaalsContact CB-OG 3.28Å; D317-S320 WeakPolarHBondContact CB-OG 3.44Å; D317-S320 WeakPolarHBondContact OD2-CB 3.01Å; D317-S320 PolarHBondContact OD2-N 3.37Å; D317-S320 PolarHBondContact OD2-OG 2.94Å; D317-Q321 VanDerWaalsContact O-CA 3.29Å; D317-Q321 WeakPolarHBondContact O-CA 3.46Å; D317-Q321 PolarHBondContact O-N 3.42Å; D317-Y322 PolarHBondContact N-O 2.99Å; D317-Y322 VanDerWaalsContact N-O 3.16Å
318	T	84.6	Confident	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.8	179.7	63.3	0	0	0	0	113.8	K288 L290 F316 Q321 V531	K288-T318 HydrophobicContact CB-CG2 4.15Å; K288-T318 PolarHBondContact N-OG1 2.72Å; K288-T318 WeakPolarHBondContact O-CG2 3.44Å; K288-T318 PolarHBondContact O-N 3.31Å; K288-T318 VanDerWaalsContact O-N 3.12Å; K288-T318 PolarHBondContact O-OG1 3.35Å; K288-T318 VanDerWaalsContact O-OG1 3.1Å; L290-T318 HydrophobicContact CD1-CG2 3.5Å; F316-T318 HydrophobicContact CD1-CG2 4.48Å; T318-Q321 PolarHBondContact O-NE2 3.49Å; T318-V531 HydrophobicContact CG2-CG1 3.91Å
319	F	82.8	Confident	91.9	Very high	57 Å²	57	34 Å²	34	25%	0.25	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-51.7	178.7	-177.1	-97.6	0	0	0	112	P282 K284 R287 D317	P282-F319 WeakPolarHBondContact O-CD2 3.45Å; K284-F319 HydrophobicContact CB-CE2 4.15Å; K284-F319 HydrophobicContact CB-CZ 4.37Å; R287-F319 HydrophobicContact CB-CB 4.23Å; R287-F319 HydrophobicContact CG-CB 3.91Å; D317-F319 PolarHBondContact O-N 3.05Å; D317-F319 WeakPolarHBondContact OD1-CB 3.29Å; D317-F319 PolarHBondContact OD1-N 3.46Å
320	S	83	Confident	91.8	Very high	34 Å²	34	38.6 Å²	38.6	24%	0.238	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.1	-178.1	67.2	0	0	0	0	114.8	D317 Y322	D317-S320 VanDerWaalsContact CB-OG 3.28Å; D317-S320 WeakPolarHBondContact CB-OG 3.44Å; D317-S320 WeakPolarHBondContact OD2-CB 3.01Å; D317-S320 PolarHBondContact OD2-N 3.37Å; D317-S320 PolarHBondContact OD2-OG 2.94Å; S320-Y322 VanDerWaalsContact CB-CD1 3.45Å; S320-Y322 PolarHBondContact O-N 3.37Å; S320-Y322 WeakPolarHBondContact OG-CD1 3.43Å; S320-Y322 WeakPolarHBondContact OG-CE1 3.39Å
321	Q	84.2	Confident	91.6	Very high	61 Å²	61	41.5 Å²	41.5	29%	0.285	22%	0.218	S	C	.	.			trans	62.6	35.8	176.4	-58.7	-80.5	-43.4	0	0	114	F316 D317 T318	F316-Q321 VanDerWaalsContact CE2-C 3.44Å; F316-Q321 HydrophobicContact CZ-CB 4.19Å; D317-Q321 VanDerWaalsContact O-CA 3.29Å; D317-Q321 WeakPolarHBondContact O-CA 3.46Å; D317-Q321 PolarHBondContact O-N 3.42Å; T318-Q321 PolarHBondContact O-NE2 3.49Å
322	Y	87.6	Confident	91.5	Very high	116 Å²	116	40.2 Å²	40.2	46%	0.455	21%	0.209	S	C	.	.			trans	-127.9	155.6	171.7	65.3	-109.1	0	0	0	112.5	D317 S320 T324	D317-Y322 PolarHBondContact N-O 2.99Å; D317-Y322 VanDerWaalsContact N-O 3.16Å; S320-Y322 VanDerWaalsContact CB-CD1 3.45Å; S320-Y322 PolarHBondContact O-N 3.37Å; S320-Y322 WeakPolarHBondContact OG-CD1 3.43Å; S320-Y322 WeakPolarHBondContact OG-CE1 3.39Å; Y322-T324 HydrophobicContact CD2-CG2 3.75Å; Y322-T324 HydrophobicContact CE2-CG2 3.46Å; Y322-T324 VanDerWaalsContact CE2-CG2 3.46Å
323	W	92.9	Very high	91.5	Very high	23 Å²	23	39.1 Å²	39.1	9%	0.087	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.6	173.7	-68.4	90.4	0	0	0	111.1	A292 E314 R315 F316 V556 G570 M572 I573	A292-W323 HydrophobicContact CB-CH2 4.18Å; A292-W323 HydrophobicContact CB-CZ3 3.81Å; E314-W323 HydrophobicContact CB-CE3 3.78Å; E314-W323 HydrophobicContact CB-CZ3 4.16Å; R315-W323 CarbonylContact O-C 3.55Å; R315-W323 WeakPolarHBondContact O-CA 3.39Å; F316-W323 HydrophobicContact CB-CD2 3.7Å; F316-W323 HydrophobicContact CB-CE3 3.65Å; F316-W323 HydrophobicContact CB-CG 4.46Å; F316-W323 HydrophobicContact CB-CH2 3.68Å; F316-W323 HydrophobicContact CB-CZ2 3.69Å; F316-W323 HydrophobicContact CB-CZ3 3.66Å; F316-W323 AromaticContact CD2-CD1 3.62Å; F316-W323 AromaticContact CD2-CD2 3.84Å; F316-W323 HydrophobicContact CD2-CD2 3.84Å; F316-W323 AromaticContact CD2-CE2 3.52Å; F316-W323 AromaticContact CD2-CG 3.9Å; F316-W323 HydrophobicContact CD2-CG 3.9Å; F316-W323 HydrophobicContact CD2-CZ2 4.1Å; F316-W323 AromaticContact CD2-NE1 3.38Å; F316-W323 AromaticContact CE2-NE1 3.89Å; F316-W323 HydrophobicContact CG-CD2 4.19Å; F316-W323 AromaticContact CG-CE2 3.86Å; F316-W323 HydrophobicContact CG-CH2 4.46Å; F316-W323 AromaticContact CG-CZ2 3.99Å; F316-W323 HydrophobicContact CG-CZ2 3.99Å; W323-V556 HydrophobicContact CZ2-CG1 4.46Å; W323-V556 HydrophobicContact CZ2-CG2 3.76Å; W323-G570 PolarHBondContact NE1-O 3.31Å; W323-M572 HydrophobicContact CD2-CG 4Å; W323-M572 HydrophobicContact CE3-CG 4.19Å; W323-M572 HydrophobicContact CH2-CG 3.8Å; W323-M572 HydrophobicContact CH2-SD 4.2Å; W323-M572 HydrophobicContact CZ2-CG 3.6Å; W323-M572 HydrophobicContact CZ2-SD 4.46Å; W323-M572 HydrophobicContact CZ3-CG 4.09Å; W323-I573 HydrophobicContact CB-CD1 4.34Å; W323-I573 HydrophobicContact CB-CG1 4.06Å
324	T	94.3	Very high	91.4	Very high	39 Å²	39	39.6 Å²	39.6	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.3	173.7	40.3	0	0	0	0	110.6	E314 R315 Y322	E314-T324 CarbonylContact C-O 3.55Å; E314-T324 WeakPolarHBondContact CA-O 3.37Å; R315-T324 PolarHBondContact N-O 3.32Å; R315-T324 PolarHBondContact NE-OG1 3.07Å; R315-T324 PolarHBondContact NH2-OG1 3.44Å; R315-T324 PolarHBondContact O-N 3.05Å; R315-T324 PolarHBondContact O-OG1 2.7Å; Y322-T324 HydrophobicContact CD2-CG2 3.75Å; Y322-T324 HydrophobicContact CE2-CG2 3.46Å; Y322-T324 VanDerWaalsContact CE2-CG2 3.46Å
325	T	94.6	Very high	91.4	Very high	88 Å²	88	39.8 Å²	39.8	54%	0.54	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.3	171.3	-50	0	0	0	0	110.1	I573	T325-I573 WeakPolarHBondContact OG1-CD1 3.49Å
326	V	95	Very high	91.4	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.145	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-177.8	172.6	-60.7	0	0	0	0	110.1	Y291 V313 R315 S328	Y291-V326 HydrophobicContact CD1-CG2 4.16Å; Y291-V326 HydrophobicContact CE1-CG2 4.21Å; V313-V326 HydrophobicContact CB-CG2 3.72Å; V313-V326 HydrophobicContact CG1-CG2 3.51Å; V313-V326 PolarHBondContact O-N 2.88Å; R315-V326 HydrophobicContact CB-CG1 3.7Å; R315-V326 HydrophobicContact CB-CG2 4.48Å; V326-S328 PolarHBondContact O-N 3.31Å
327	S	94.3	Very high	91.6	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-51	131.4	179.1	-55.6	0	0	0	0	110.9	K368 W370	S327-K368 WeakPolarHBondContact CB-O 3.38Å; S327-K368 PolarHBondContact OG-O 2.7Å; S327-W370 PolarHBondContact O-NE1 3.21Å
328	S	95.4	Very high	91.9	Very high	55 Å²	55	39 Å²	39	39%	0.385	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-83.8	155.5	-176.9	-61.6	0	0	0	0	111.1	S311 V326	S311-S328 CarbonylContact O-C 3.41Å; S311-S328 WeakPolarHBondContact O-CA 3.29Å; S311-S328 WeakPolarHBondContact O-CB 3.41Å; V326-S328 PolarHBondContact O-N 3.31Å
329	L	94.3	Very high	92.5	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.9	151.7	170.2	-65	171.6	0	0	0	110.8	V293 S311 V313 Q331 R333 L336 A347 W370	V293-L329 HydrophobicContact CG1-CD1 3.75Å; V293-L329 HydrophobicContact CG1-CD2 4.01Å; V293-L329 HydrophobicContact CG1-CG 4.06Å; S311-L329 PolarHBondContact O-N 3.07Å; V313-L329 HydrophobicContact CG2-CG 4.19Å; L329-Q331 VanDerWaalsContact C-N 3.26Å; L329-Q331 WeakPolarHBondContact CB-O 3.28Å; L329-Q331 PolarHBondContact O-N 2.85Å; L329-R333 HydrophobicContact CD1-CG 4.05Å; L329-L336 HydrophobicContact CD1-CD1 4.33Å; L329-A347 HydrophobicContact CD2-CB 3.83Å; L329-W370 HydrophobicContact CD2-CD2 3.83Å; L329-W370 HydrophobicContact CD2-CE3 3.74Å; L329-W370 HydrophobicContact CD2-CH2 3.65Å; L329-W370 HydrophobicContact CD2-CZ2 3.75Å; L329-W370 HydrophobicContact CD2-CZ3 3.64Å
330	H	92.1	Very high	93.1	Very high	124 Å²	124	39.1 Å²	39.1	57%	0.574	22%	0.215	S	C	*	.	S	Bend	trans	-65	-35.4	173	-64.1	91.8	0	0	0	111.5	E361 W370	H330-E361 WeakPolarHBondContact CB-OE2 3.34Å; H330-E361 IonicContact CE1-OE2 3.41Å; H330-E361 IonicContact CG-OE2 3.77Å; H330-E361 PolarHBondContact N-OE2 3.45Å; H330-E361 IonicContact ND1-OE2 2.7Å; H330-E361 PolarHBondContact ND1-OE2 2.9Å; H330-W370 PolarHBondContact CE1-O 3.22Å; H330-W370 VanDerWaalsContact CE1-O 3.3Å
331	Q	88.8	Confident	93.7	Very high	82 Å²	82	38.5 Å²	38.5	38%	0.383	21%	0.209	S	C	.	.	S	Bend	trans	-122.1	133.8	179.5	-62.3	-173.4	66.3	0	0	110.6	L329 F357	L329-Q331 VanDerWaalsContact C-N 3.26Å; L329-Q331 WeakPolarHBondContact CB-O 3.28Å; L329-Q331 PolarHBondContact O-N 2.85Å; Q331-F357 VanDerWaalsContact OE1-CE1 3.29Å
332	A	93.9	Very high	93.9	Very high	15 Å²	15	39 Å²	39	12%	0.124	23%	0.23	C	C	.	.			trans	-72.8	133.8	171.9	0	0	0	0	0	110	A309 L310 K352	A309-A332 HydrophobicContact CB-CB 4.06Å; L310-A332 WeakPolarHBondContact O-CA 3.36Å; A332-K352 HydrophobicContact CB-CD 4.45Å; A332-K352 WeakPolarHBondContact O-CB 3.37Å; A332-K352 WeakPolarHBondContact O-CD 3.17Å
333	R	95.1	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.228	C	C	.	.			trans	-157.6	146.8	-175.3	46.1	176	160.8	-179.7	0.2	112.9	G295 L310 L329 L336 A347 G349 E351 F357 C359 E361	G295-R333 PolarHBondContact N-O 2.95Å; L310-R333 PolarHBondContact O-N 2.94Å; L310-R333 VanDerWaalsContact O-N 3.12Å; L329-R333 HydrophobicContact CD1-CG 4.05Å; R333-L336 HydrophobicContact CG-CD1 4.15Å; R333-A347 PolarHBondContact NH1-O 3.06Å; R333-A347 PolarHBondContact NH2-O 3.26Å; R333-G349 WeakPolarHBondContact CD-O 3.19Å; R333-G349 PolarHBondContact NH1-O 2.98Å; R333-E351 VanDerWaalsContact CA-O 3.29Å; R333-E351 WeakPolarHBondContact CA-O 3.42Å; R333-F357 HydrophobicContact CB-CD2 4.11Å; R333-F357 HydrophobicContact CB-CE2 4.12Å; R333-C359 PolarHBondContact NH1-O 3.45Å; R333-E361 IonicContact CZ-OE1 2.72Å; R333-E361 IonicContact NE-OE1 3.77Å; R333-E361 VanDerWaalsContact NH2-CD 3.28Å; R333-E361 VanDerWaalsContact NH2-CG 3.29Å; R333-E361 IonicContact NH2-OE1 2.72Å; R333-E361 PolarHBondContact NH2-OE1 2.99Å
334	S	94.8	Very high	94.1	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.07	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-116.3	167.1	169.2	53.3	0	0	0	0	111.2	L336 G350 E351	S334-L336 PolarHBondContact O-N 2.85Å; S334-L336 VanDerWaalsContact O-N 3.15Å; S334-G350 CarbonylContact O-C 3.45Å; S334-G350 WeakPolarHBondContact O-CA 3.33Å; S334-E351 PolarHBondContact N-O 3.19Å; S334-E351 PolarHBondContact O-N 2.85Å
335	G	93.9	Very high	94.3	Very high	6 Å²	6	35.4 Å²	35.4	6%	0.062	23%	0.227	C	C	.	.	S	Bend	trans	63.3	21.4	179.9	0	0	0	0	0	113.5	G382 E578	G335-G382 PolarHBondContact O-N 3.06Å; G335-E578 PolarHBondContact N-O 3.02Å
336	L	96.2	Very high	94.4	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.063	20%	0.203	C	C	.	.			trans	-79.9	153.4	178.5	73.8	168.1	0	0	0	111.6	V293 L329 R333 S334 V338 A347	V293-L336 HydrophobicContact CG1-CD1 3.98Å; L329-L336 HydrophobicContact CD1-CD1 4.33Å; R333-L336 HydrophobicContact CG-CD1 4.15Å; S334-L336 PolarHBondContact O-N 2.85Å; S334-L336 VanDerWaalsContact O-N 3.15Å; L336-V338 HydrophobicContact CD1-CG2 3.83Å; L336-V338 HydrophobicContact CG-CG2 3.98Å; L336-A347 HydrophobicContact CD1-CB 4.08Å
337	G	96.1	Very high	94.5	Very high	6 Å²	6	30.5 Å²	30.5	6%	0.062	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	139.2	166.5	0	0	0	0	0	110.7	I348	G337-I348 PolarHBondContact N-O 2.79Å; G337-I348 PolarHBondContact O-N 3.02Å
338	V	96.9	Very high	94.7	Very high	19 Å²	19	28.6 Å²	28.6	12%	0.115	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.9	177.4	176.1	0	0	0	0	109.7	V293 L336 V345 Y346 A347 A582	V293-V338 HydrophobicContact CB-CG2 3.97Å; V293-V338 HydrophobicContact CG1-CG2 4.2Å; V293-V338 HydrophobicContact CG2-CG1 4.17Å; V293-V338 HydrophobicContact CG2-CG2 4.44Å; L336-V338 HydrophobicContact CD1-CG2 3.83Å; L336-V338 HydrophobicContact CG-CG2 3.98Å; V338-V345 HydrophobicContact CG1-CG1 3.82Å; V338-Y346 VanDerWaalsContact CA-O 3.26Å; V338-Y346 WeakPolarHBondContact CA-O 3.45Å; V338-A347 HydrophobicContact CG2-CB 4.5Å; V338-A582 HydrophobicContact CG1-CB 3.6Å
339	T	96.3	Very high	94.7	Very high	19 Å²	19	26 Å²	26	12%	0.117	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	173	179.1	-160.6	0	0	0	0	111.7	Y346 I348 V385 V387 I392	T339-Y346 PolarHBondContact N-O 2.98Å; T339-Y346 PolarHBondContact O-N 2.82Å; T339-I348 HydrophobicContact CG2-CD1 4.3Å; T339-V385 HydrophobicContact CG2-CG1 3.64Å; T339-V387 HydrophobicContact CG2-CG2 3.96Å; T339-I392 HydrophobicContact CG2-CB 4.46Å; T339-I392 HydrophobicContact CG2-CD1 3.83Å; T339-I392 HydrophobicContact CG2-CG1 3.81Å; T339-I392 HydrophobicContact CG2-CG2 3.83Å
340	V	96.1	Very high	94.8	Very high	40 Å²	40	25.6 Å²	25.6	24%	0.242	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.7	-178.3	174.7	0	0	0	0	110.1	M344 V345 V387 A582 V583 L584	V340-M344 VanDerWaalsContact CA-O 3.31Å; V340-M344 WeakPolarHBondContact CA-O 3.16Å; V340-V345 HydrophobicContact CG2-CG2 4.21Å; V340-V387 WeakPolarHBondContact O-CG2 3.49Å; V340-A582 HydrophobicContact CG2-CB 3.42Å; V340-A582 VanDerWaalsContact CG2-CB 3.42Å; V340-V583 WeakPolarHBondContact CG2-O 3.48Å; V340-L584 HydrophobicContact CG1-CD2 3.48Å; V340-L584 VanDerWaalsContact CG1-CD2 3.48Å; V340-L584 HydrophobicContact CG1-CG 4.45Å; V340-L584 HydrophobicContact CG2-CD2 4.37Å
341	L	94.8	Very high	94.9	Very high	21 Å²	21	22 Å²	22	11%	0.11	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132	175.2	-180	63	0	0	0	109.4	G343 M344 Y346 V387 G390 I392 P412	L341-G343 PolarHBondContact O-N 3.44Å; L341-M344 PolarHBondContact N-O 3.14Å; L341-M344 VanDerWaalsContact N-O 3.08Å; L341-M344 PolarHBondContact O-N 3.36Å; L341-Y346 HydrophobicContact CB-CD2 4.24Å; L341-Y346 HydrophobicContact CB-CE2 3.88Å; L341-V387 HydrophobicContact CB-CG2 3.92Å; L341-V387 HydrophobicContact CD1-CG1 3.68Å; L341-V387 HydrophobicContact CD1-CG2 4.33Å; L341-G390 WeakPolarHBondContact CD2-O 3.36Å; L341-I392 HydrophobicContact CB-CD1 4.29Å; L341-I392 HydrophobicContact CB-CG1 4.22Å; L341-I392 HydrophobicContact CD2-CD1 4.21Å; L341-I392 HydrophobicContact CD2-CG1 3.86Å; L341-P412 HydrophobicContact CD2-CB 4.1Å; L341-P412 HydrophobicContact CD2-CG 3.75Å
342	G	89.5	Confident	95.1	Very high	72 Å²	72	22.1 Å²	22.1	74%	0.742	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	29.9	177.6	0	0	0	0	0	114.3	M344	G342-M344 VanDerWaalsContact C-N 3.26Å; G342-M344 PolarHBondContact O-N 2.94Å
343	G	90.8	Very high	94.7	Very high	39 Å²	39	27.9 Å²	27.9	40%	0.402	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	9	-177.4	0	0	0	0	0	115	L341 P365 L584	L341-G343 PolarHBondContact O-N 3.44Å; G343-P365 WeakPolarHBondContact O-CD 3.05Å; G343-P365 WeakPolarHBondContact O-CG 3.44Å; G343-L584 VanDerWaalsContact C-CD2 3.47Å; G343-L584 VanDerWaalsContact O-CD2 3.23Å; G343-L584 WeakPolarHBondContact O-CD2 3.23Å
344	M	94.3	Very high	94.2	Very high	64 Å²	64	33.3 Å²	33.3	32%	0.315	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.8	176.3	-63.6	179.9	-82.1	0	0	110.9	V340 L341 G342 Y346 C362 Y363	V340-M344 VanDerWaalsContact CA-O 3.31Å; V340-M344 WeakPolarHBondContact CA-O 3.16Å; L341-M344 PolarHBondContact N-O 3.14Å; L341-M344 VanDerWaalsContact N-O 3.08Å; L341-M344 PolarHBondContact O-N 3.36Å; G342-M344 VanDerWaalsContact C-N 3.26Å; G342-M344 PolarHBondContact O-N 2.94Å; M344-Y346 HydrophobicContact CB-CE2 3.87Å; M344-C362 VanDerWaalsContact SD-SG 3.63Å; M344-Y363 WeakPolarHBondContact CA-O 3.38Å
345	V	97.2	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.9	178.5	-177.6	0	0	0	0	109.7	Y291 V293 V338 V340 C362 Y363 W370 A582 L584	Y291-V345 HydrophobicContact CD2-CG2 4.32Å; Y291-V345 HydrophobicContact CG-CG2 4.43Å; V293-V345 HydrophobicContact CG2-CG1 4.44Å; V338-V345 HydrophobicContact CG1-CG1 3.82Å; V340-V345 HydrophobicContact CG2-CG2 4.21Å; V345-C362 CarbonylContact O-C 3.54Å; V345-C362 WeakPolarHBondContact O-CA 3.32Å; V345-Y363 HydrophobicContact CG2-CD1 4.38Å; V345-Y363 PolarHBondContact N-O 2.59Å; V345-Y363 PolarHBondContact O-N 2.83Å; V345-W370 HydrophobicContact CG1-CH2 4.24Å; V345-A582 HydrophobicContact CB-CB 4.39Å; V345-A582 HydrophobicContact CG1-CB 3.56Å; V345-A582 HydrophobicContact CG2-CB 4.03Å; V345-L584 HydrophobicContact CG2-CD1 3.64Å; V345-L584 HydrophobicContact CG2-CG 4.08Å
346	Y	97.5	Very high	94.1	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131	178.4	-68.7	-100.4	0	0	0	110.3	V338 T339 L341 M344 T360 E361 C362 V373 I392 F410	V338-Y346 VanDerWaalsContact CA-O 3.26Å; V338-Y346 WeakPolarHBondContact CA-O 3.45Å; T339-Y346 PolarHBondContact N-O 2.98Å; T339-Y346 PolarHBondContact O-N 2.82Å; L341-Y346 HydrophobicContact CB-CD2 4.24Å; L341-Y346 HydrophobicContact CB-CE2 3.88Å; M344-Y346 HydrophobicContact CB-CE2 3.87Å; Y346-T360 HydrophobicContact CD1-CG2 4.08Å; Y346-E361 CarbonylContact C-O 3.5Å; Y346-E361 WeakPolarHBondContact CA-O 3.32Å; Y346-C362 HydrophobicContact CD1-CB 3.96Å; Y346-C362 HydrophobicContact CE1-CB 3.75Å; Y346-C362 VanDerWaalsContact CZ-SG 3.56Å; Y346-V373 HydrophobicContact CD1-CG2 4.5Å; Y346-V373 HydrophobicContact CE1-CG2 4.43Å; Y346-I392 HydrophobicContact CD1-CD1 3.74Å; Y346-I392 HydrophobicContact CD2-CD1 3.68Å; Y346-I392 HydrophobicContact CE1-CD1 4.21Å; Y346-I392 HydrophobicContact CE2-CD1 4.17Å; Y346-I392 HydrophobicContact CG-CD1 3.45Å; Y346-I392 VanDerWaalsContact CG-CD1 3.45Å; Y346-F410 HydrophobicContact CD1-CE1 4.46Å; Y346-F410 AromaticContact CE1-CE1 3.8Å; Y346-F410 HydrophobicContact CE1-CE1 3.8Å
347	A	97.4	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.7	175.4	0	0	0	0	0	109.3	V293 L329 R333 L336 V338 T360 E361 W370	V293-A347 HydrophobicContact CG1-CB 4.19Å; L329-A347 HydrophobicContact CD2-CB 3.83Å; R333-A347 PolarHBondContact NH1-O 3.06Å; R333-A347 PolarHBondContact NH2-O 3.26Å; L336-A347 HydrophobicContact CD1-CB 4.08Å; V338-A347 HydrophobicContact CG2-CB 4.5Å; A347-T360 WeakPolarHBondContact O-CA 3.46Å; A347-E361 PolarHBondContact N-O 2.58Å; A347-E361 PolarHBondContact O-N 2.92Å; A347-W370 HydrophobicContact CB-CH2 4.04Å; A347-W370 HydrophobicContact CB-CZ3 3.76Å
348	I	97.5	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	-162.5	-61.9	150.8	0	0	0	110.2	G337 T339 T360 M376 L383 V385 I392 W417	G337-I348 PolarHBondContact N-O 2.79Å; G337-I348 PolarHBondContact O-N 3.02Å; T339-I348 HydrophobicContact CG2-CD1 4.3Å; I348-T360 HydrophobicContact CG1-CG2 3.58Å; I348-M376 HydrophobicContact CG2-CE 3.69Å; I348-M376 HydrophobicContact CG2-CG 4.2Å; I348-M376 HydrophobicContact CG2-SD 3.41Å; I348-M376 WeakPolarHBondContact CG2-SD 3.31Å; I348-L383 HydrophobicContact CG2-CD1 4.1Å; I348-V385 HydrophobicContact CD1-CG1 3.69Å; I348-V385 HydrophobicContact CD1-CG2 4.36Å; I348-I392 HydrophobicContact CD1-CD1 4.44Å; I348-I392 HydrophobicContact CD1-CG2 3.69Å; I348-W417 HydrophobicContact CD1-CH2 4.17Å; I348-W417 HydrophobicContact CD1-CZ2 4.35Å; I348-W417 HydrophobicContact CG1-CH2 4.45Å; I348-W417 HydrophobicContact CG1-CZ2 4.23Å; I348-W417 HydrophobicContact CG2-CH2 4.08Å; I348-W417 HydrophobicContact CG2-CZ2 4.08Å
349	G	96.4	Very high	94	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.253	C	S	.	.			trans	62.4	-140.4	176	0	0	0	0	0	113.2	R333 F357 C359	R333-G349 WeakPolarHBondContact CD-O 3.19Å; R333-G349 PolarHBondContact NH1-O 2.98Å; G349-F357 VanDerWaalsContact CA-O 3.31Å; G349-F357 WeakPolarHBondContact CA-O 3.4Å; G349-C359 PolarHBondContact N-O 2.8Å; G349-C359 VanDerWaalsContact N-O 3.11Å
350	G	95.7	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.248	C	C	.	.			trans	94.8	-173.6	-175.6	0	0	0	0	0	112.6	S334 F357 R380	S334-G350 CarbonylContact O-C 3.45Å; S334-G350 WeakPolarHBondContact O-CA 3.33Å; G350-F357 PolarHBondContact O-N 3.24Å; G350-R380 PolarHBondContact N-O 2.91Å
351	E	94.4	Very high	94	Very high	48 Å²	48	39.5 Å²	39.5	22%	0.224	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.1	-178.4	64.6	175.5	-162.9	0	0	113	R333 S334 M355 I356 C381	R333-E351 VanDerWaalsContact CA-O 3.29Å; R333-E351 WeakPolarHBondContact CA-O 3.42Å; S334-E351 PolarHBondContact N-O 3.19Å; S334-E351 PolarHBondContact O-N 2.85Å; E351-M355 CarbonylContact C-O 3.53Å; E351-M355 WeakPolarHBondContact CA-O 3.47Å; E351-M355 WeakPolarHBondContact CB-O 3.48Å; E351-I356 HydrophobicContact CB-CG1 4.48Å; E351-C381 HydrophobicContact CB-CB 3.96Å; E351-C381 HydrophobicContact CG-CB 4.02Å; E351-C381 PolarHBondContact OE2-SG 2.8Å
352	K	92.4	Very high	94.1	Very high	85 Å²	85	38.7 Å²	38.7	37%	0.37	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	126	168.7	-179.3	-173.4	175.8	-173.8	0	109.5	A309 A332 S354 M355 F357	A309-K352 HydrophobicContact CB-CB 4.5Å; A309-K352 HydrophobicContact CB-CG 4.05Å; A332-K352 HydrophobicContact CB-CD 4.45Å; A332-K352 WeakPolarHBondContact O-CB 3.37Å; A332-K352 WeakPolarHBondContact O-CD 3.17Å; K352-S354 PolarHBondContact O-N 3.12Å; K352-M355 PolarHBondContact N-O 3.05Å; K352-M355 VanDerWaalsContact O-CB 3.3Å; K352-M355 WeakPolarHBondContact O-CB 3.33Å; K352-M355 PolarHBondContact O-N 2.73Å; K352-F357 HydrophobicContact CB-CE2 3.67Å; K352-F357 HydrophobicContact CB-CZ 3.87Å
353	D	86	Confident	94.4	Very high	136 Å²	136	35.5 Å²	35.5	73%	0.727	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	41.7	175	-54.4	-41.1	0	0	0	113	M355	D353-M355 PolarHBondContact O-N 3.1Å
354	S	84.3	Confident	94.5	Very high	114 Å²	114	35.7 Å²	35.7	80%	0.797	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	-0.9	-174.3	-39.4	0	0	0	0	116.3	K352	K352-S354 PolarHBondContact O-N 3.12Å
355	M	91.9	Very high	94.3	Very high	123 Å²	123	34.5 Å²	34.5	61%	0.606	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.4	169.2	-173.9	174.1	-179	0	0	109.3	E351 K352 D353 F357	E351-M355 CarbonylContact C-O 3.53Å; E351-M355 WeakPolarHBondContact CA-O 3.47Å; E351-M355 WeakPolarHBondContact CB-O 3.48Å; K352-M355 PolarHBondContact N-O 3.05Å; K352-M355 VanDerWaalsContact O-CB 3.3Å; K352-M355 WeakPolarHBondContact O-CB 3.33Å; K352-M355 PolarHBondContact O-N 2.73Å; D353-M355 PolarHBondContact O-N 3.1Å; M355-F357 HydrophobicContact CE-CD1 4.36Å; M355-F357 HydrophobicContact CE-CE1 3.97Å; M355-F357 HydrophobicContact CG-CD1 4.37Å; M355-F357 HydrophobicContact CG-CE1 3.88Å; M355-F357 HydrophobicContact CG-CZ 4.44Å; M355-F357 HydrophobicContact SD-CE1 3.77Å; M355-F357 HydrophobicContact SD-CZ 4.44Å
356	I	94.8	Very high	94	Very high	28 Å²	28	40.3 Å²	40.3	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135	177.6	-52.8	173.2	0	0	0	108.7	E351 P379 R380 C381 W398 G400	E351-I356 HydrophobicContact CB-CG1 4.48Å; I356-P379 HydrophobicContact CB-CB 4.25Å; I356-P379 HydrophobicContact CG2-CB 3.93Å; I356-R380 VanDerWaalsContact CG2-N 3.27Å; I356-C381 HydrophobicContact CG2-CB 4.34Å; I356-W398 VanDerWaalsContact CD1-CD1 3.49Å; I356-G400 VanDerWaalsContact CD1-N 3.27Å
357	F	95.2	Very high	93.7	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.039	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-100.4	144.9	-176.5	-59.7	-57.2	0	0	0	112.4	Q331 R333 G349 G350 K352 M355 P379 R380	Q331-F357 VanDerWaalsContact OE1-CE1 3.29Å; R333-F357 HydrophobicContact CB-CD2 4.11Å; R333-F357 HydrophobicContact CB-CE2 4.12Å; G349-F357 VanDerWaalsContact CA-O 3.31Å; G349-F357 WeakPolarHBondContact CA-O 3.4Å; G350-F357 PolarHBondContact O-N 3.24Å; K352-F357 HydrophobicContact CB-CE2 3.67Å; K352-F357 HydrophobicContact CB-CZ 3.87Å; M355-F357 HydrophobicContact CE-CD1 4.36Å; M355-F357 HydrophobicContact CE-CE1 3.97Å; M355-F357 HydrophobicContact CG-CD1 4.37Å; M355-F357 HydrophobicContact CG-CE1 3.88Å; M355-F357 HydrophobicContact CG-CZ 4.44Å; M355-F357 HydrophobicContact SD-CE1 3.77Å; M355-F357 HydrophobicContact SD-CZ 4.44Å; F357-P379 WeakPolarHBondContact O-CA 3.28Å; F357-R380 PolarHBondContact O-N 2.5Å
358	D	95.2	Very high	93.5	Very high	64 Å²	64	49.8 Å²	49.8	34%	0.342	27%	0.271	S	S	.	.			trans	-100.8	-13.1	167	63.6	-30.5	0	0	0	112.1	S375 M376 P379	D358-S375 WeakPolarHBondContact O-CA 3.43Å; D358-S375 VanDerWaalsContact OD2-CB 3.25Å; D358-S375 WeakPolarHBondContact OD2-CB 3.25Å; D358-M376 HydrophobicContact CB-CB 4.48Å; D358-M376 PolarHBondContact O-N 3.15Å; D358-P379 HydrophobicContact CB-CB 4.06Å
359	C	95.4	Very high	93.4	Very high	15 Å²	15	55.2 Å²	55.2	10%	0.101	30%	0.296	C	S	.	.			trans	-68	143	-172	68.7	0	0	0	0	112.8	R333 G349	R333-C359 PolarHBondContact NH1-O 3.45Å; G349-C359 PolarHBondContact N-O 2.8Å; G349-C359 VanDerWaalsContact N-O 3.11Å
360	T	96.9	Very high	93.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.4	172.8	-58.5	0	0	0	0	109.2	Y346 A347 I348 V373 W417	Y346-T360 HydrophobicContact CD1-CG2 4.08Å; A347-T360 WeakPolarHBondContact O-CA 3.46Å; I348-T360 HydrophobicContact CG1-CG2 3.58Å; T360-V373 HydrophobicContact CG2-CG2 3.37Å; T360-V373 PolarHBondContact O-N 2.88Å; T360-W417 HydrophobicContact CG2-CZ2 4.37Å; T360-W417 WeakPolarHBondContact OG1-CZ2 3.25Å
361	E	96.6	Very high	93.4	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.7	174.3	-61.4	179.7	-109	0	0	109.5	H330 R333 Y346 A347 W370 T371 T372	H330-E361 WeakPolarHBondContact CB-OE2 3.34Å; H330-E361 IonicContact CE1-OE2 3.41Å; H330-E361 IonicContact CG-OE2 3.77Å; H330-E361 PolarHBondContact N-OE2 3.45Å; H330-E361 IonicContact ND1-OE2 2.7Å; H330-E361 PolarHBondContact ND1-OE2 2.9Å; R333-E361 IonicContact CZ-OE1 2.72Å; R333-E361 IonicContact NE-OE1 3.77Å; R333-E361 VanDerWaalsContact NH2-CD 3.28Å; R333-E361 VanDerWaalsContact NH2-CG 3.29Å; R333-E361 IonicContact NH2-OE1 2.72Å; R333-E361 PolarHBondContact NH2-OE1 2.99Å; Y346-E361 CarbonylContact C-O 3.5Å; Y346-E361 WeakPolarHBondContact CA-O 3.32Å; A347-E361 PolarHBondContact N-O 2.58Å; A347-E361 PolarHBondContact O-N 2.92Å; E361-W370 HydrophobicContact CB-CE3 3.67Å; E361-W370 HydrophobicContact CB-CZ3 4.13Å; E361-T371 CarbonylContact C-O 3.44Å; E361-T371 WeakPolarHBondContact CA-O 3.25Å; E361-T372 HydrophobicContact CG-CG2 4.41Å
362	C	96.6	Very high	93.5	Very high	4 Å²	4	62 Å²	62	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.4	179.1	179.5	0	0	0	0	109.7	M344 V345 Y346 W370 T371 V373	M344-C362 VanDerWaalsContact SD-SG 3.63Å; V345-C362 CarbonylContact O-C 3.54Å; V345-C362 WeakPolarHBondContact O-CA 3.32Å; Y346-C362 HydrophobicContact CD1-CB 3.96Å; Y346-C362 HydrophobicContact CE1-CB 3.75Å; Y346-C362 VanDerWaalsContact CZ-SG 3.56Å; C362-W370 CarbonylContact O-C 3.59Å; C362-W370 WeakPolarHBondContact O-CA 3.33Å; C362-T371 PolarHBondContact N-O 2.84Å; C362-T371 PolarHBondContact O-N 2.93Å; C362-T371 PolarHBondContact O-OG1 3.25Å; C362-V373 HydrophobicContact CB-CG1 3.81Å
363	Y	96.8	Very high	93.7	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.02	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.1	174.8	178.9	-106.5	0	0	0	110.4	Y291 M344 V345 P365 Q369 W370	Y291-Y363 HydrophobicContact CD1-CE1 4.43Å; Y291-Y363 HydrophobicContact CE1-CD1 4.4Å; Y291-Y363 AromaticContact CE1-CE1 3.73Å; Y291-Y363 HydrophobicContact CE1-CE1 3.73Å; M344-Y363 WeakPolarHBondContact CA-O 3.38Å; V345-Y363 HydrophobicContact CG2-CD1 4.38Å; V345-Y363 PolarHBondContact N-O 2.59Å; V345-Y363 PolarHBondContact O-N 2.83Å; Y363-P365 HydrophobicContact CE1-CB 4.09Å; Y363-Q369 WeakPolarHBondContact CA-O 3.2Å; Y363-W370 AromaticContact CD2-CD1 3.73Å; Y363-W370 HydrophobicContact CD2-CD2 4.03Å; Y363-W370 AromaticContact CD2-CE2 3.71Å; Y363-W370 HydrophobicContact CD2-CG 4.03Å; Y363-W370 HydrophobicContact CD2-CZ2 4.27Å; Y363-W370 AromaticContact CD2-NE1 3.51Å; Y363-W370 HydrophobicContact CG-CD2 4.24Å; Y363-W370 AromaticContact CG-CE2 3.9Å; Y363-W370 HydrophobicContact CG-CZ2 4.03Å
364	D	93	Very high	94.2	Very high	42 Å²	42	54.1 Å²	54.1	23%	0.225	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.1	169.9	169.8	14.9	0	0	0	109.5	V366 T367 K368 Q369	D364-V366 PolarHBondContact O-N 3.23Å; D364-V366 VanDerWaalsContact OD1-CB 3.28Å; D364-V366 WeakPolarHBondContact OD1-CB 3.23Å; D364-V366 PolarHBondContact OD1-N 2.83Å; D364-T367 WeakPolarHBondContact CB-OG1 3.14Å; D364-T367 VanDerWaalsContact CG-OG1 3.27Å; D364-T367 WeakPolarHBondContact OD2-CB 3.46Å; D364-T367 WeakPolarHBondContact OD2-CG2 3.35Å; D364-T367 PolarHBondContact OD2-N 3.43Å; D364-T367 PolarHBondContact OD2-OG1 2.96Å; D364-K368 WeakPolarHBondContact O-CA 3.31Å; D364-K368 PolarHBondContact O-N 2.87Å; D364-Q369 PolarHBondContact N-O 3.28Å; D364-Q369 VanDerWaalsContact N-O 3.11Å
365	P	89.8	Confident	94.8	Very high	39 Å²	39	51.3 Å²	51.3	25%	0.253	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.8	179	29.9	-37.2	0	0	0	113.9	G343 Y363 L584	G343-P365 WeakPolarHBondContact O-CD 3.05Å; G343-P365 WeakPolarHBondContact O-CG 3.44Å; Y363-P365 HydrophobicContact CE1-CB 4.09Å; P365-L584 HydrophobicContact CB-CD1 3.97Å; P365-L584 HydrophobicContact CG-CD1 3.82Å
366	V	89.6	Confident	95	Very high	123 Å²	123	45.8 Å²	45.8	75%	0.745	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-56.3	178.9	-178.4	0	0	0	0	110.1	D364 K368	D364-V366 PolarHBondContact O-N 3.23Å; D364-V366 VanDerWaalsContact OD1-CB 3.28Å; D364-V366 WeakPolarHBondContact OD1-CB 3.23Å; D364-V366 PolarHBondContact OD1-N 2.83Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.16Å
367	T	91.9	Very high	95	Very high	82 Å²	82	48.9 Å²	48.9	50%	0.503	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.6	176.4	58.6	0	0	0	0	113	D364 Q369	D364-T367 WeakPolarHBondContact CB-OG1 3.14Å; D364-T367 VanDerWaalsContact CG-OG1 3.27Å; D364-T367 WeakPolarHBondContact OD2-CB 3.46Å; D364-T367 WeakPolarHBondContact OD2-CG2 3.35Å; D364-T367 PolarHBondContact OD2-N 3.43Å; D364-T367 PolarHBondContact OD2-OG1 2.96Å; T367-Q369 PolarHBondContact O-N 3.47Å
368	K	93.2	Very high	94.9	Very high	126 Å²	126	52 Å²	52	55%	0.548	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.5	-176.4	-54.1	174.2	-177.2	171.8	0	112.5	S327 D364 V366	S327-K368 WeakPolarHBondContact CB-O 3.38Å; S327-K368 PolarHBondContact OG-O 2.7Å; D364-K368 WeakPolarHBondContact O-CA 3.31Å; D364-K368 PolarHBondContact O-N 2.87Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.16Å
369	Q	94.3	Very high	94.9	Very high	113 Å²	113	51.4 Å²	51.4	53%	0.528	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.7	-179.8	-62.7	-56.6	-43.1	0	0	110.9	Y363 D364 T367	Y363-Q369 WeakPolarHBondContact CA-O 3.2Å; D364-Q369 PolarHBondContact N-O 3.28Å; D364-Q369 VanDerWaalsContact N-O 3.11Å; T367-Q369 PolarHBondContact O-N 3.47Å
370	W	96.9	Very high	94.9	Very high	11 Å²	11	50.7 Å²	50.7	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143	164.2	-70.8	92.2	0	0	0	109	V293 V313 S327 L329 H330 V345 A347 E361 C362 Y363	V293-W370 HydrophobicContact CG1-CH2 4.17Å; V293-W370 HydrophobicContact CG1-CZ2 4.4Å; V293-W370 HydrophobicContact CG2-CH2 4.44Å; V313-W370 HydrophobicContact CG1-CZ2 4.42Å; V313-W370 HydrophobicContact CG2-CZ2 3.81Å; S327-W370 PolarHBondContact O-NE1 3.21Å; L329-W370 HydrophobicContact CD2-CD2 3.83Å; L329-W370 HydrophobicContact CD2-CE3 3.74Å; L329-W370 HydrophobicContact CD2-CH2 3.65Å; L329-W370 HydrophobicContact CD2-CZ2 3.75Å; L329-W370 HydrophobicContact CD2-CZ3 3.64Å; H330-W370 PolarHBondContact CE1-O 3.22Å; H330-W370 VanDerWaalsContact CE1-O 3.3Å; V345-W370 HydrophobicContact CG1-CH2 4.24Å; A347-W370 HydrophobicContact CB-CH2 4.04Å; A347-W370 HydrophobicContact CB-CZ3 3.76Å; E361-W370 HydrophobicContact CB-CE3 3.67Å; E361-W370 HydrophobicContact CB-CZ3 4.13Å; C362-W370 CarbonylContact O-C 3.59Å; C362-W370 WeakPolarHBondContact O-CA 3.33Å; Y363-W370 AromaticContact CD2-CD1 3.73Å; Y363-W370 HydrophobicContact CD2-CD2 4.03Å; Y363-W370 AromaticContact CD2-CE2 3.71Å; Y363-W370 HydrophobicContact CD2-CG 4.03Å; Y363-W370 HydrophobicContact CD2-CZ2 4.27Å; Y363-W370 AromaticContact CD2-NE1 3.51Å; Y363-W370 HydrophobicContact CG-CD2 4.24Å; Y363-W370 AromaticContact CG-CE2 3.9Å; Y363-W370 HydrophobicContact CG-CZ2 4.03Å
371	T	95.9	Very high	94.9	Very high	75 Å²	75	50.7 Å²	50.7	46%	0.46	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.6	174.7	56.6	0	0	0	0	109.4	E361 C362	E361-T371 CarbonylContact C-O 3.44Å; E361-T371 WeakPolarHBondContact CA-O 3.25Å; C362-T371 PolarHBondContact N-O 2.84Å; C362-T371 PolarHBondContact O-N 2.93Å; C362-T371 PolarHBondContact O-OG1 3.25Å
372	T	96.1	Very high	94.8	Very high	105 Å²	105	50.9 Å²	50.9	64%	0.644	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.5	174.9	51.1	0	0	0	0	110	E361	E361-T372 HydrophobicContact CG-CG2 4.41Å
373	V	96.4	Very high	94.8	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-175.9	172.5	-59.4	0	0	0	0	109.2	Y346 T360 C362 S375 F410 N415	Y346-V373 HydrophobicContact CD1-CG2 4.5Å; Y346-V373 HydrophobicContact CE1-CG2 4.43Å; T360-V373 HydrophobicContact CG2-CG2 3.37Å; T360-V373 PolarHBondContact O-N 2.88Å; C362-V373 HydrophobicContact CB-CG1 3.81Å; V373-S375 PolarHBondContact O-N 3.08Å; V373-F410 HydrophobicContact CB-CZ 4.13Å; V373-F410 HydrophobicContact CG2-CE2 4.34Å; V373-F410 HydrophobicContact CG2-CZ 3.99Å; V373-N415 WeakPolarHBondContact CB-OD1 3.45Å
374	A	96.9	Very high	94.7	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.3	140.7	180	0	0	0	0	0	112.2	F410 N415 W417	A374-F410 HydrophobicContact CB-CE2 4.24Å; A374-N415 WeakPolarHBondContact CB-O 3.09Å; A374-N415 PolarHBondContact N-OD1 2.91Å; A374-W417 PolarHBondContact O-NE1 3.43Å
375	S	97.1	Very high	94.9	Very high	55 Å²	55	50.2 Å²	50.2	39%	0.385	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-77.7	151.9	174.5	-65	0	0	0	0	111.5	D358 V373	D358-S375 WeakPolarHBondContact O-CA 3.43Å; D358-S375 VanDerWaalsContact OD2-CB 3.25Å; D358-S375 WeakPolarHBondContact OD2-CB 3.25Å; V373-S375 PolarHBondContact O-N 3.08Å
376	M	96.8	Very high	95.2	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.03	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-61.4	159.3	169.2	-66.2	-176.3	-67.2	0	0	111	I348 D358 H378 R380 L383 A394 W417	I348-M376 HydrophobicContact CG2-CE 3.69Å; I348-M376 HydrophobicContact CG2-CG 4.2Å; I348-M376 HydrophobicContact CG2-SD 3.41Å; I348-M376 WeakPolarHBondContact CG2-SD 3.31Å; D358-M376 HydrophobicContact CB-CB 4.48Å; D358-M376 PolarHBondContact O-N 3.15Å; M376-H378 VanDerWaalsContact C-N 3.33Å; M376-H378 WeakPolarHBondContact CB-O 3.4Å; M376-R380 HydrophobicContact CE-CB 4.47Å; M376-R380 HydrophobicContact CE-CG 4.34Å; M376-L383 HydrophobicContact CE-CD1 4.42Å; M376-L383 HydrophobicContact SD-CD1 4.25Å; M376-A394 HydrophobicContact SD-CB 3.99Å; M376-W417 HydrophobicContact CG-CD2 3.79Å; M376-W417 HydrophobicContact CG-CE3 4.09Å; M376-W417 HydrophobicContact CG-CG 4.32Å; M376-W417 HydrophobicContact CG-CH2 4.17Å; M376-W417 HydrophobicContact CG-CZ2 3.88Å; M376-W417 HydrophobicContact CG-CZ3 4.28Å; M376-W417 HydrophobicContact SD-CH2 4.47Å
377	N	95.2	Very high	95.6	Very high	93 Å²	93	44.3 Å²	44.3	50%	0.497	25%	0.25	S	C	.	.	S	Bend	trans	-72.1	-31.1	176.2	-65.1	-90.3	0	0	0	111.8	E408 W417 V419	N377-E408 VanDerWaalsContact CB-OE2 3.31Å; N377-E408 WeakPolarHBondContact CB-OE2 3.29Å; N377-E408 PolarHBondContact N-OE2 2.96Å; N377-E408 PolarHBondContact ND2-OE2 2.82Å; N377-W417 PolarHBondContact ND2-O 2.81Å; N377-V419 HydrophobicContact CB-CG2 4.37Å
378	H	93.1	Very high	95.7	Very high	75 Å²	75	40.5 Å²	40.5	35%	0.347	23%	0.226	S	C	.	.	S	Bend	trans	-123.5	136	176.4	-52.4	80.1	0	0	0	110.2	M376 R380 E408	M376-H378 VanDerWaalsContact C-N 3.33Å; M376-H378 WeakPolarHBondContact CB-O 3.4Å; H378-R380 PolarHBondContact ND1-NH2 3.1Å; H378-R380 WeakPolarHBondContact O-CG 3.42Å; H378-E408 IonicContact CG-OE1 3.81Å; H378-E408 PolarHBondContact N-OE1 2.87Å; H378-E408 VanDerWaalsContact N-OE1 3.11Å; H378-E408 IonicContact ND1-OE1 3.57Å; H378-E408 PolarHBondContact ND1-OE1 3.31Å; H378-E408 VanDerWaalsContact ND1-OE1 3.07Å
379	P	95.2	Very high	95.7	Very high	51 Å²	51	41.2 Å²	41.2	33%	0.331	23%	0.227	S	C	.	.			trans	-69.6	137.5	170.8	29.2	-33.6	0	0	0	110.5	I356 F357 D358 V399	I356-P379 HydrophobicContact CB-CB 4.25Å; I356-P379 HydrophobicContact CG2-CB 3.93Å; F357-P379 WeakPolarHBondContact O-CA 3.28Å; D358-P379 HydrophobicContact CB-CB 4.06Å; P379-V399 WeakPolarHBondContact O-CA 3.4Å
380	R	95.5	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.			trans	-146.4	142.7	-174.3	-40.7	174.1	178.2	-108.2	-2.3	112.7	G350 I356 F357 M376 H378 L383 G396 W398 V399 T406 E408	G350-R380 PolarHBondContact N-O 2.91Å; I356-R380 VanDerWaalsContact CG2-N 3.27Å; F357-R380 PolarHBondContact O-N 2.5Å; M376-R380 HydrophobicContact CE-CB 4.47Å; M376-R380 HydrophobicContact CE-CG 4.34Å; H378-R380 PolarHBondContact ND1-NH2 3.1Å; H378-R380 WeakPolarHBondContact O-CG 3.42Å; R380-L383 HydrophobicContact CB-CB 4.34Å; R380-L383 HydrophobicContact CB-CD1 4.31Å; R380-G396 WeakPolarHBondContact CD-O 3.12Å; R380-G396 PolarHBondContact NH1-O 3.07Å; R380-W398 WeakPolarHBondContact CA-O 3.42Å; R380-V399 HydrophobicContact CG-CG1 4.15Å; R380-T406 VanDerWaalsContact CZ-OG1 3.3Å; R380-T406 PolarHBondContact NH1-O 2.98Å; R380-T406 VanDerWaalsContact NH1-O 3.11Å; R380-T406 PolarHBondContact NH1-OG1 2.92Å; R380-T406 PolarHBondContact NH2-OG1 3.47Å; R380-E408 IonicContact CZ-OE1 3.59Å; R380-E408 IonicContact NE-OE1 3.02Å; R380-E408 PolarHBondContact NE-OE1 3.2Å; R380-E408 IonicContact NH2-OE1 2.95Å; R380-E408 PolarHBondContact NH2-OE1 2.9Å
381	C	95.4	Very high	95.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-126.8	159.5	163.8	67.3	0	0	0	0	111.3	E351 I356 L383 G397 W398	E351-C381 HydrophobicContact CB-CB 3.96Å; E351-C381 HydrophobicContact CG-CB 4.02Å; E351-C381 PolarHBondContact OE2-SG 2.8Å; I356-C381 HydrophobicContact CG2-CB 4.34Å; C381-L383 PolarHBondContact O-N 3.21Å; C381-G397 CarbonylContact O-C 3.58Å; C381-G397 WeakPolarHBondContact O-CA 3.18Å; C381-W398 PolarHBondContact N-O 2.93Å; C381-W398 PolarHBondContact O-N 2.72Å
382	G	94.7	Very high	95.7	Very high	6 Å²	6	34.3 Å²	34.3	6%	0.062	20%	0.203	C	C	.	.	S	Bend	trans	62.3	27.7	-176.2	0	0	0	0	0	113.4	G335 Y428 Y429	G335-G382 PolarHBondContact O-N 3.06Å; G382-Y428 CarbonylContact O-C 3.53Å; G382-Y428 WeakPolarHBondContact O-CA 3.47Å; G382-Y429 PolarHBondContact O-N 2.72Å
383	L	96.5	Very high	95.8	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.073	18%	0.175	C	C	.	.			trans	-81.4	156.3	-179.1	70.1	168.9	0	0	0	112.5	I348 M376 R380 C381 V385 A394	I348-L383 HydrophobicContact CG2-CD1 4.1Å; M376-L383 HydrophobicContact CE-CD1 4.42Å; M376-L383 HydrophobicContact SD-CD1 4.25Å; R380-L383 HydrophobicContact CB-CB 4.34Å; R380-L383 HydrophobicContact CB-CD1 4.31Å; C381-L383 PolarHBondContact O-N 3.21Å; L383-V385 HydrophobicContact CD1-CG2 3.8Å; L383-V385 HydrophobicContact CG-CG2 3.93Å; L383-A394 HydrophobicContact CD1-CB 4.08Å
384	G	95.9	Very high	95.8	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.2	167.5	0	0	0	0	0	110.7	L395 F430	G384-L395 PolarHBondContact N-O 2.72Å; G384-L395 PolarHBondContact O-N 3.46Å; G384-F430 VanDerWaalsContact N-CZ 3.3Å
385	V	96.9	Very high	95.9	Very high	19 Å²	19	27.2 Å²	27.2	12%	0.115	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.2	176.9	-179.9	0	0	0	0	110.5	T339 I348 L383 I392 Y393 A394	T339-V385 HydrophobicContact CG2-CG1 3.64Å; I348-V385 HydrophobicContact CD1-CG1 3.69Å; I348-V385 HydrophobicContact CD1-CG2 4.36Å; L383-V385 HydrophobicContact CD1-CG2 3.8Å; L383-V385 HydrophobicContact CG-CG2 3.93Å; V385-I392 HydrophobicContact CG1-CG2 3.62Å; V385-Y393 VanDerWaalsContact CA-O 3.3Å; V385-Y393 WeakPolarHBondContact CA-O 3.34Å; V385-A394 HydrophobicContact CG2-CB 4.49Å
386	C	96.3	Very high	95.8	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.9	170.7	60.8	0	0	0	0	111.2	Y393 E434	C386-Y393 PolarHBondContact N-O 2.9Å; C386-Y393 VanDerWaalsContact N-O 3.17Å; C386-Y393 PolarHBondContact O-N 3.14Å; C386-E434 HydrophobicContact CB-CB 4.15Å
387	V	96.6	Very high	95.8	Very high	32 Å²	32	24.3 Å²	24.3	19%	0.194	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134	172	165.9	0	0	0	0	109.3	T339 V340 L341 A391 I392 E434	T339-V387 HydrophobicContact CG2-CG2 3.96Å; V340-V387 WeakPolarHBondContact O-CG2 3.49Å; L341-V387 HydrophobicContact CB-CG2 3.92Å; L341-V387 HydrophobicContact CD1-CG1 3.68Å; L341-V387 HydrophobicContact CD1-CG2 4.33Å; V387-A391 WeakPolarHBondContact CA-O 3.38Å; V387-I392 HydrophobicContact CG2-CG1 3.76Å; V387-E434 VanDerWaalsContact O-CB 3.28Å; V387-E434 WeakPolarHBondContact O-CB 3.25Å; V387-E434 VanDerWaalsContact O-CG 3.25Å; V387-E434 WeakPolarHBondContact O-CG 3.38Å
388	C	95.5	Very high	95.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	134.1	175.2	-166.9	0	0	0	0	109.6	G390 A391 Y393 E434 G437 I439	C388-G390 PolarHBondContact O-N 2.92Å; C388-G390 VanDerWaalsContact O-N 3.17Å; C388-A391 PolarHBondContact N-O 3.36Å; C388-A391 PolarHBondContact O-N 3.1Å; C388-A391 VanDerWaalsContact O-N 3.08Å; C388-Y393 HydrophobicContact CB-CD2 3.97Å; C388-Y393 HydrophobicContact CB-CE2 3.87Å; C388-Y393 WeakPolarHBondContact O-CE2 3.27Å; C388-E434 HydrophobicContact CB-CG 4.02Å; C388-G437 PolarHBondContact SG-O 3.06Å; C388-G437 VanDerWaalsContact SG-O 3.37Å; C388-I439 HydrophobicContact CB-CD1 4.18Å; C388-I439 HydrophobicContact CB-CG1 4.21Å
389	Y	92.3	Very high	95.7	Very high	142 Å²	142	22.1 Å²	22.1	56%	0.557	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	41.5	-178.2	-62.2	-68.5	0	0	0	114.5	A391 G437 L461	Y389-A391 VanDerWaalsContact C-N 3.28Å; Y389-A391 PolarHBondContact O-N 2.54Å; Y389-G437 WeakPolarHBondContact CE2-O 3.16Å; Y389-L461 HydrophobicContact CD2-CD2 4.34Å; Y389-L461 HydrophobicContact CE2-CD1 4.08Å; Y389-L461 HydrophobicContact CE2-CD2 4.14Å; Y389-L461 HydrophobicContact CE2-CG 3.85Å
390	G	92.3	Very high	95.3	Very high	45 Å²	45	21.5 Å²	21.5	46%	0.464	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	6.5	176.8	0	0	0	0	0	115.6	L341 C388	L341-G390 WeakPolarHBondContact CD2-O 3.36Å; C388-G390 PolarHBondContact O-N 2.92Å; C388-G390 VanDerWaalsContact O-N 3.17Å
391	A	96.4	Very high	94.8	Very high	8 Å²	8	26.1 Å²	26.1	7%	0.066	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.5	176.2	0	0	0	0	0	111.2	V387 C388 Y389 Y393 R409 F410	V387-A391 WeakPolarHBondContact CA-O 3.38Å; C388-A391 PolarHBondContact N-O 3.36Å; C388-A391 PolarHBondContact O-N 3.1Å; C388-A391 VanDerWaalsContact O-N 3.08Å; Y389-A391 VanDerWaalsContact C-N 3.28Å; Y389-A391 PolarHBondContact O-N 2.54Å; A391-Y393 HydrophobicContact CB-CE2 4.12Å; A391-R409 HydrophobicContact CB-CG 3.74Å; A391-F410 WeakPolarHBondContact CA-O 3.1Å; A391-F410 WeakPolarHBondContact CB-O 3.31Å
392	I	98.2	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.9	173.4	-60.9	165.8	0	0	0	109	T339 L341 Y346 I348 V385 V387 R409 F410 W417	T339-I392 HydrophobicContact CG2-CB 4.46Å; T339-I392 HydrophobicContact CG2-CD1 3.83Å; T339-I392 HydrophobicContact CG2-CG1 3.81Å; T339-I392 HydrophobicContact CG2-CG2 3.83Å; L341-I392 HydrophobicContact CB-CD1 4.29Å; L341-I392 HydrophobicContact CB-CG1 4.22Å; L341-I392 HydrophobicContact CD2-CD1 4.21Å; L341-I392 HydrophobicContact CD2-CG1 3.86Å; Y346-I392 HydrophobicContact CD1-CD1 3.74Å; Y346-I392 HydrophobicContact CD2-CD1 3.68Å; Y346-I392 HydrophobicContact CE1-CD1 4.21Å; Y346-I392 HydrophobicContact CE2-CD1 4.17Å; Y346-I392 HydrophobicContact CG-CD1 3.45Å; Y346-I392 VanDerWaalsContact CG-CD1 3.45Å; I348-I392 HydrophobicContact CD1-CD1 4.44Å; I348-I392 HydrophobicContact CD1-CG2 3.69Å; V385-I392 HydrophobicContact CG1-CG2 3.62Å; V387-I392 HydrophobicContact CG2-CG1 3.76Å; I392-R409 CarbonylContact O-C 3.57Å; I392-R409 VanDerWaalsContact O-CA 3.29Å; I392-R409 WeakPolarHBondContact O-CA 3.47Å; I392-F410 HydrophobicContact CB-CB 4.13Å; I392-F410 HydrophobicContact CD1-CD1 4.03Å; I392-F410 PolarHBondContact N-O 3.22Å; I392-F410 VanDerWaalsContact N-O 3.1Å; I392-F410 PolarHBondContact O-N 3.12Å; I392-W417 HydrophobicContact CG2-CH2 4.08Å
393	Y	98	Very high	94.6	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.051	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.5	173.3	-70.8	-102.8	0	0	0	109.8	V385 C386 C388 A391 I407 E408 R409 V420 I439 P460	V385-Y393 VanDerWaalsContact CA-O 3.3Å; V385-Y393 WeakPolarHBondContact CA-O 3.34Å; C386-Y393 PolarHBondContact N-O 2.9Å; C386-Y393 VanDerWaalsContact N-O 3.17Å; C386-Y393 PolarHBondContact O-N 3.14Å; C388-Y393 HydrophobicContact CB-CD2 3.97Å; C388-Y393 HydrophobicContact CB-CE2 3.87Å; C388-Y393 WeakPolarHBondContact O-CE2 3.27Å; A391-Y393 HydrophobicContact CB-CE2 4.12Å; Y393-I407 HydrophobicContact CD1-CG2 3.96Å; Y393-E408 CarbonylContact C-O 3.58Å; Y393-E408 WeakPolarHBondContact CA-O 3.33Å; Y393-R409 HydrophobicContact CD1-CB 4.33Å; Y393-R409 HydrophobicContact CE1-CB 4.13Å; Y393-R409 HydrophobicContact CE1-CG 4.08Å; Y393-R409 HydrophobicContact CE2-CG 4.19Å; Y393-R409 VanDerWaalsContact OH-CD 3.32Å; Y393-R409 WeakPolarHBondContact OH-CD 3.11Å; Y393-V420 HydrophobicContact CD1-CG2 4.39Å; Y393-V420 HydrophobicContact CE1-CG2 4.14Å; Y393-I439 HydrophobicContact CD1-CD1 4.01Å; Y393-I439 HydrophobicContact CD2-CD1 4Å; Y393-I439 HydrophobicContact CG-CD1 3.68Å; Y393-P460 HydrophobicContact CE1-CB 4.24Å
394	A	97.8	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.2	172.1	0	0	0	0	0	109	M376 L383 V385 I407 E408 W417	M376-A394 HydrophobicContact SD-CB 3.99Å; L383-A394 HydrophobicContact CD1-CB 4.08Å; V385-A394 HydrophobicContact CG2-CB 4.49Å; A394-I407 WeakPolarHBondContact O-CA 3.35Å; A394-E408 PolarHBondContact N-O 2.76Å; A394-E408 PolarHBondContact O-N 2.96Å; A394-W417 HydrophobicContact CB-CH2 3.98Å; A394-W417 HydrophobicContact CB-CZ3 3.69Å
395	L	97.4	Very high	94.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.7	-172.7	-58.9	96.9	0	0	0	111.1	G384 I407 M423 F430 I439 V441 W465	G384-L395 PolarHBondContact N-O 2.72Å; G384-L395 PolarHBondContact O-N 3.46Å; L395-I407 HydrophobicContact CD2-CD1 4.31Å; L395-I407 HydrophobicContact CD2-CG1 4.15Å; L395-I407 HydrophobicContact CD2-CG2 4.37Å; L395-I407 HydrophobicContact CG-CG1 4.39Å; L395-I407 HydrophobicContact CG-CG2 4.17Å; L395-M423 HydrophobicContact CB-SD 3.98Å; L395-F430 HydrophobicContact CB-CE2 4.45Å; L395-F430 HydrophobicContact CB-CZ 3.95Å; L395-F430 VanDerWaalsContact O-CZ 3.25Å; L395-F430 WeakPolarHBondContact O-CZ 3.37Å; L395-I439 HydrophobicContact CD1-CG2 4.23Å; L395-I439 HydrophobicContact CD2-CG2 4.18Å; L395-V441 HydrophobicContact CD2-CG2 4.38Å; L395-W465 HydrophobicContact CD2-CH2 4.07Å; L395-W465 HydrophobicContact CD2-CZ2 4.26Å
396	G	96.1	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.			trans	61.4	-137.8	166.7	0	0	0	0	0	113.7	R380 G404 T406 M423	R380-G396 WeakPolarHBondContact CD-O 3.12Å; R380-G396 PolarHBondContact NH1-O 3.07Å; G396-G404 CarbonylContact C-O 3.53Å; G396-G404 VanDerWaalsContact CA-O 3.25Å; G396-G404 WeakPolarHBondContact CA-O 3.42Å; G396-T406 PolarHBondContact N-O 3.28Å; G396-M423 WeakPolarHBondContact CA-SD 3.43Å; G396-M423 PolarHBondContact N-SD 2.92Å; G396-M423 VanDerWaalsContact N-SD 3.44Å
397	G	95.7	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.204	C	C	.	.			trans	88.5	168.7	178.8	0	0	0	0	0	113.8	C381 G404 R427	C381-G397 CarbonylContact O-C 3.58Å; C381-G397 WeakPolarHBondContact O-CA 3.18Å; G397-G404 PolarHBondContact O-N 3.47Å; G397-R427 PolarHBondContact N-O 3.45Å
398	W	94.7	Very high	94.4	Very high	84 Å²	84	33.2 Å²	33.2	32%	0.318	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-82.4	124.3	175.2	-178.7	-100.6	0	0	0	109.9	I356 R380 C381 G400 I403 Y428	I356-W398 VanDerWaalsContact CD1-CD1 3.49Å; R380-W398 WeakPolarHBondContact CA-O 3.42Å; C381-W398 PolarHBondContact N-O 2.93Å; C381-W398 PolarHBondContact O-N 2.72Å; W398-G400 WeakPolarHBondContact CZ2-O 3.46Å; W398-G400 VanDerWaalsContact NE1-CA 3.27Å; W398-G400 PolarHBondContact NE1-O 3.43Å; W398-I403 HydrophobicContact CE3-CG1 3.69Å; W398-I403 HydrophobicContact CZ3-CG1 3.94Å; W398-Y428 HydrophobicContact CB-CD2 4.15Å; W398-Y428 HydrophobicContact CB-CG 4.45Å
399	V	92.8	Very high	94.5	Very high	37 Å²	37	37 Å²	37	22%	0.224	21%	0.209	C	C	.	.			trans	-103.3	10.1	-178	-60.8	0	0	0	0	113.1	P379 R380 E402	P379-V399 WeakPolarHBondContact O-CA 3.4Å; R380-V399 HydrophobicContact CG-CG1 4.15Å; V399-E402 HydrophobicContact CG2-CG 3.88Å; V399-E402 VanDerWaalsContact CG2-O 3.23Å; V399-E402 WeakPolarHBondContact CG2-O 3.46Å; V399-E402 PolarHBondContact N-O 3.49Å
400	G	86.6	Confident	94.8	Very high	39 Å²	39	30.3 Å²	30.3	40%	0.402	18%	0.182	S	C	.	.	S	Bend	trans	109.1	-51	176	0	0	0	0	0	113.9	I356 W398	I356-G400 VanDerWaalsContact CD1-N 3.27Å; W398-G400 WeakPolarHBondContact CZ2-O 3.46Å; W398-G400 VanDerWaalsContact NE1-CA 3.27Å; W398-G400 PolarHBondContact NE1-O 3.43Å
401	A	85.6	Confident	95	Very high	96 Å²	96	30.1 Å²	30.1	79%	0.793	17%	0.17	S	C	*	.	S	Bend	trans	-99.1	-30.3	179	0	0	0	0	0	113.1
402	E	91.8	Very high	94.8	Very high	130 Å²	130	31.7 Å²	31.7	61%	0.607	18%	0.18	S	C	*	.	S	Bend	trans	-149	172.8	-175.3	63.4	-175.9	178.3	0	0	110.8	V399	V399-E402 HydrophobicContact CG2-CG 3.88Å; V399-E402 VanDerWaalsContact CG2-O 3.23Å; V399-E402 WeakPolarHBondContact CG2-O 3.46Å; V399-E402 PolarHBondContact N-O 3.49Å
403	I	93.5	Very high	94.6	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.067	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-84.7	113.5	169.8	-57.3	167.5	0	0	0	107.7	W398 R427 Y428 S446 N447	W398-I403 HydrophobicContact CE3-CG1 3.69Å; W398-I403 HydrophobicContact CZ3-CG1 3.94Å; I403-R427 VanDerWaalsContact CG2-CA 3.5Å; I403-R427 VanDerWaalsContact CG2-N 3.28Å; I403-Y428 HydrophobicContact CD1-CD1 3.47Å; I403-Y428 VanDerWaalsContact CD1-CD1 3.47Å; I403-Y428 HydrophobicContact CD1-CE1 3.54Å; I403-Y428 HydrophobicContact CG1-CD1 3.7Å; I403-Y428 HydrophobicContact CG1-CE1 4.01Å; I403-Y428 HydrophobicContact CG1-CG 4.49Å; I403-Y428 HydrophobicContact CG2-CD1 4.3Å; I403-S446 WeakPolarHBondContact CD1-O 3.49Å; I403-N447 WeakPolarHBondContact CB-OD1 3.48Å
404	G	91.8	Very high	94.4	Very high	6 Å²	6	44.8 Å²	44.8	6%	0.062	25%	0.247	C	C	.	.			trans	-66.6	149.9	176.3	0	0	0	0	0	111.5	G396 G397	G396-G404 CarbonylContact C-O 3.53Å; G396-G404 VanDerWaalsContact CA-O 3.25Å; G396-G404 WeakPolarHBondContact CA-O 3.42Å; G397-G404 PolarHBondContact O-N 3.47Å
405	N	94.4	Very high	94.3	Very high	58 Å²	58	48.6 Å²	48.6	31%	0.31	27%	0.267	S	S	.	.			trans	-118.2	-2.6	170	63.3	-10.6	0	0	0	113	N422 M423 S426	N405-N422 CarbonylContact O-C 3.48Å; N405-N422 VanDerWaalsContact O-CA 3.23Å; N405-N422 WeakPolarHBondContact O-CA 3.25Å; N405-M423 HydrophobicContact CB-CB 4.2Å; N405-M423 WeakPolarHBondContact O-CG 3.37Å; N405-M423 PolarHBondContact O-N 2.8Å; N405-S426 WeakPolarHBondContact CB-OG 3.5Å
406	T	96.4	Very high	94.4	Very high	24 Å²	24	54 Å²	54	15%	0.147	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	144.8	-179.8	37.3	0	0	0	0	111.5	R380 G396 V419 N422	R380-T406 VanDerWaalsContact CZ-OG1 3.3Å; R380-T406 PolarHBondContact NH1-O 2.98Å; R380-T406 VanDerWaalsContact NH1-O 3.11Å; R380-T406 PolarHBondContact NH1-OG1 2.92Å; R380-T406 PolarHBondContact NH2-OG1 3.47Å; G396-T406 PolarHBondContact N-O 3.28Å; T406-V419 HydrophobicContact CG2-CG1 4.16Å; T406-N422 WeakPolarHBondContact CA-OD1 3.46Å; T406-N422 VanDerWaalsContact CG2-OD1 3.23Å; T406-N422 WeakPolarHBondContact CG2-OD1 3.44Å
407	I	97.3	Very high	94.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	174.3	-55.2	170.3	0	0	0	107	Y393 A394 L395 V419 V420 G421 M423 Y458 W465	Y393-I407 HydrophobicContact CD1-CG2 3.96Å; A394-I407 WeakPolarHBondContact O-CA 3.35Å; L395-I407 HydrophobicContact CD2-CD1 4.31Å; L395-I407 HydrophobicContact CD2-CG1 4.15Å; L395-I407 HydrophobicContact CD2-CG2 4.37Å; L395-I407 HydrophobicContact CG-CG1 4.39Å; L395-I407 HydrophobicContact CG-CG2 4.17Å; I407-V419 WeakPolarHBondContact O-CA 3.41Å; I407-V420 HydrophobicContact CB-CG2 4.12Å; I407-V420 HydrophobicContact CG2-CG2 3.65Å; I407-V420 WeakPolarHBondContact O-CG2 3.42Å; I407-V420 PolarHBondContact O-N 3Å; I407-G421 PolarHBondContact N-O 2.78Å; I407-M423 HydrophobicContact CG1-CG 4.11Å; I407-Y458 HydrophobicContact CD1-CD2 4.45Å; I407-Y458 HydrophobicContact CD1-CE1 4.24Å; I407-Y458 HydrophobicContact CD1-CE2 4.14Å; I407-W465 HydrophobicContact CD1-CZ2 3.75Å
408	E	97.7	Very high	94.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.9	175.4	-59.6	-165.3	-141.6	0	0	110.7	N377 H378 R380 Y393 A394 W417 E418 V419	N377-E408 VanDerWaalsContact CB-OE2 3.31Å; N377-E408 WeakPolarHBondContact CB-OE2 3.29Å; N377-E408 PolarHBondContact N-OE2 2.96Å; N377-E408 PolarHBondContact ND2-OE2 2.82Å; H378-E408 IonicContact CG-OE1 3.81Å; H378-E408 PolarHBondContact N-OE1 2.87Å; H378-E408 VanDerWaalsContact N-OE1 3.11Å; H378-E408 IonicContact ND1-OE1 3.57Å; H378-E408 PolarHBondContact ND1-OE1 3.31Å; H378-E408 VanDerWaalsContact ND1-OE1 3.07Å; R380-E408 IonicContact CZ-OE1 3.59Å; R380-E408 IonicContact NE-OE1 3.02Å; R380-E408 PolarHBondContact NE-OE1 3.2Å; R380-E408 IonicContact NH2-OE1 2.95Å; R380-E408 PolarHBondContact NH2-OE1 2.9Å; Y393-E408 CarbonylContact C-O 3.58Å; Y393-E408 WeakPolarHBondContact CA-O 3.33Å; A394-E408 PolarHBondContact N-O 2.76Å; A394-E408 PolarHBondContact O-N 2.96Å; E408-W417 HydrophobicContact CB-CE3 3.71Å; E408-W417 HydrophobicContact CB-CZ3 4.14Å; E408-E418 CarbonylContact C-O 3.57Å; E408-E418 VanDerWaalsContact CA-O 3.25Å; E408-E418 WeakPolarHBondContact CA-O 3.29Å; E408-V419 HydrophobicContact CG-CG2 4.08Å
409	R	97.8	Very high	94.7	Very high	82 Å²	82	57 Å²	57	31%	0.309	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.2	177.4	-177.3	177.9	72.6	148.3	8.5	109.3	A391 I392 Y393 W417 E418 V420	A391-R409 HydrophobicContact CB-CG 3.74Å; I392-R409 CarbonylContact O-C 3.57Å; I392-R409 VanDerWaalsContact O-CA 3.29Å; I392-R409 WeakPolarHBondContact O-CA 3.47Å; Y393-R409 HydrophobicContact CD1-CB 4.33Å; Y393-R409 HydrophobicContact CE1-CB 4.13Å; Y393-R409 HydrophobicContact CE1-CG 4.08Å; Y393-R409 HydrophobicContact CE2-CG 4.19Å; Y393-R409 VanDerWaalsContact OH-CD 3.32Å; Y393-R409 WeakPolarHBondContact OH-CD 3.11Å; R409-W417 CarbonylContact O-C 3.55Å; R409-W417 WeakPolarHBondContact O-CA 3.34Å; R409-E418 HydrophobicContact CB-CG 4.25Å; R409-E418 IonicContact CZ-OE1 3.6Å; R409-E418 PolarHBondContact N-O 3.14Å; R409-E418 IonicContact NE-OE1 3.71Å; R409-E418 PolarHBondContact NE-OE1 3.09Å; R409-E418 IonicContact NH2-OE1 3.33Å; R409-E418 PolarHBondContact NH2-OE1 2.89Å; R409-E418 PolarHBondContact O-N 3Å; R409-V420 HydrophobicContact CB-CB 4.5Å; R409-V420 HydrophobicContact CB-CG1 3.58Å; R409-V420 HydrophobicContact CB-CG2 4.08Å
410	F	98.3	Very high	94.8	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.8	171.5	179.8	-109.7	0	0	0	110.3	Y346 V373 A374 A391 I392 P412 K416 W417	Y346-F410 HydrophobicContact CD1-CE1 4.46Å; Y346-F410 AromaticContact CE1-CE1 3.8Å; Y346-F410 HydrophobicContact CE1-CE1 3.8Å; V373-F410 HydrophobicContact CB-CZ 4.13Å; V373-F410 HydrophobicContact CG2-CE2 4.34Å; V373-F410 HydrophobicContact CG2-CZ 3.99Å; A374-F410 HydrophobicContact CB-CE2 4.24Å; A391-F410 WeakPolarHBondContact CA-O 3.1Å; A391-F410 WeakPolarHBondContact CB-O 3.31Å; I392-F410 HydrophobicContact CB-CB 4.13Å; I392-F410 HydrophobicContact CD1-CD1 4.03Å; I392-F410 PolarHBondContact N-O 3.22Å; I392-F410 VanDerWaalsContact N-O 3.1Å; I392-F410 PolarHBondContact O-N 3.12Å; F410-P412 HydrophobicContact CE1-CB 4.11Å; F410-K416 WeakPolarHBondContact CA-O 3.5Å; F410-W417 HydrophobicContact CB-CD2 3.62Å; F410-W417 HydrophobicContact CB-CE3 3.66Å; F410-W417 HydrophobicContact CB-CG 4.34Å; F410-W417 HydrophobicContact CB-CH2 3.69Å; F410-W417 HydrophobicContact CB-CZ2 3.64Å; F410-W417 HydrophobicContact CB-CZ3 3.7Å; F410-W417 AromaticContact CD2-CD1 3.59Å; F410-W417 HydrophobicContact CD2-CD2 4.02Å; F410-W417 AromaticContact CD2-CE2 3.68Å; F410-W417 AromaticContact CD2-CG 4Å; F410-W417 HydrophobicContact CD2-CG 4Å; F410-W417 HydrophobicContact CD2-CZ2 4.3Å; F410-W417 AromaticContact CD2-NE1 3.38Å; F410-W417 HydrophobicContact CG-CD2 4.24Å; F410-W417 AromaticContact CG-CE2 3.86Å; F410-W417 HydrophobicContact CG-CZ2 4.06Å
411	D	95.8	Very high	95.3	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.214	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.2	168.9	-169.2	-42.8	0	0	0	108.9	D413 E414 N415 K416	D411-D413 VanDerWaalsContact C-N 3.31Å; D411-D413 WeakPolarHBondContact OD1-CA 3.4Å; D411-D413 WeakPolarHBondContact OD1-CB 3.42Å; D411-D413 PolarHBondContact OD1-N 2.92Å; D411-E414 HydrophobicContact CB-CB 4.2Å; D411-E414 PolarHBondContact OD1-N 2.74Å; D411-N415 VanDerWaalsContact O-CA 3.27Å; D411-N415 WeakPolarHBondContact O-CA 3.43Å; D411-N415 PolarHBondContact O-N 3.23Å; D411-K416 PolarHBondContact N-O 2.8Å; D411-K416 PolarHBondContact O-N 3.15Å
412	P	92.9	Very high	95.8	Very high	41 Å²	41	55 Å²	55	27%	0.266	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.6	179.3	33.1	-40	0	0	0	113.2	L341 F410	L341-P412 HydrophobicContact CD2-CB 4.1Å; L341-P412 HydrophobicContact CD2-CG 3.75Å; F410-P412 HydrophobicContact CE1-CB 4.11Å
413	D	93.3	Very high	95.9	Very high	156 Å²	156	49.1 Å²	49.1	83%	0.834	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-39.8	-177	-65.6	-36.1	0	0	0	110.4	D411	D411-D413 VanDerWaalsContact C-N 3.31Å; D411-D413 WeakPolarHBondContact OD1-CA 3.4Å; D411-D413 WeakPolarHBondContact OD1-CB 3.42Å; D411-D413 PolarHBondContact OD1-N 2.92Å
414	E	94.9	Very high	95.8	Very high	133 Å²	133	51.6 Å²	51.6	62%	0.621	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.2	173.3	-61.7	-166.2	171	0	0	113.3	D411 K416	D411-E414 HydrophobicContact CB-CB 4.2Å; D411-E414 PolarHBondContact OD1-N 2.74Å; E414-K416 HydrophobicContact CB-CB 4.25Å; E414-K416 PolarHBondContact O-N 3.28Å
415	N	96.5	Very high	95.8	Very high	79 Å²	79	53.8 Å²	53.8	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	56.5	-170.7	-177.2	28.6	0	0	0	111.6	V373 A374 D411	V373-N415 WeakPolarHBondContact CB-OD1 3.45Å; A374-N415 WeakPolarHBondContact CB-O 3.09Å; A374-N415 PolarHBondContact N-OD1 2.91Å; D411-N415 VanDerWaalsContact O-CA 3.27Å; D411-N415 WeakPolarHBondContact O-CA 3.43Å; D411-N415 PolarHBondContact O-N 3.23Å
416	K	97.6	Very high	95.8	Very high	115 Å²	115	52 Å²	52	50%	0.5	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	141.9	-173.7	-174.2	-178	172.5	-163.9	0	112.3	F410 D411 E414	F410-K416 WeakPolarHBondContact CA-O 3.5Å; D411-K416 PolarHBondContact N-O 2.8Å; D411-K416 PolarHBondContact O-N 3.15Å; E414-K416 HydrophobicContact CB-CB 4.25Å; E414-K416 PolarHBondContact O-N 3.28Å
417	W	98.2	Very high	95.8	Very high	8 Å²	8	50.9 Å²	50.9	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.2	168.8	-70.6	90.7	0	0	0	111.7	I348 T360 A374 M376 N377 I392 A394 E408 R409 F410	I348-W417 HydrophobicContact CD1-CH2 4.17Å; I348-W417 HydrophobicContact CD1-CZ2 4.35Å; I348-W417 HydrophobicContact CG1-CH2 4.45Å; I348-W417 HydrophobicContact CG1-CZ2 4.23Å; I348-W417 HydrophobicContact CG2-CH2 4.08Å; I348-W417 HydrophobicContact CG2-CZ2 4.08Å; T360-W417 HydrophobicContact CG2-CZ2 4.37Å; T360-W417 WeakPolarHBondContact OG1-CZ2 3.25Å; A374-W417 PolarHBondContact O-NE1 3.43Å; M376-W417 HydrophobicContact CG-CD2 3.79Å; M376-W417 HydrophobicContact CG-CE3 4.09Å; M376-W417 HydrophobicContact CG-CG 4.32Å; M376-W417 HydrophobicContact CG-CH2 4.17Å; M376-W417 HydrophobicContact CG-CZ2 3.88Å; M376-W417 HydrophobicContact CG-CZ3 4.28Å; M376-W417 HydrophobicContact SD-CH2 4.47Å; N377-W417 PolarHBondContact ND2-O 2.81Å; I392-W417 HydrophobicContact CG2-CH2 4.08Å; A394-W417 HydrophobicContact CB-CH2 3.98Å; A394-W417 HydrophobicContact CB-CZ3 3.69Å; E408-W417 HydrophobicContact CB-CE3 3.71Å; E408-W417 HydrophobicContact CB-CZ3 4.14Å; R409-W417 CarbonylContact O-C 3.55Å; R409-W417 WeakPolarHBondContact O-CA 3.34Å; F410-W417 HydrophobicContact CB-CD2 3.62Å; F410-W417 HydrophobicContact CB-CE3 3.66Å; F410-W417 HydrophobicContact CB-CG 4.34Å; F410-W417 HydrophobicContact CB-CH2 3.69Å; F410-W417 HydrophobicContact CB-CZ2 3.64Å; F410-W417 HydrophobicContact CB-CZ3 3.7Å; F410-W417 AromaticContact CD2-CD1 3.59Å; F410-W417 HydrophobicContact CD2-CD2 4.02Å; F410-W417 AromaticContact CD2-CE2 3.68Å; F410-W417 AromaticContact CD2-CG 4Å; F410-W417 HydrophobicContact CD2-CG 4Å; F410-W417 HydrophobicContact CD2-CZ2 4.3Å; F410-W417 AromaticContact CD2-NE1 3.38Å; F410-W417 HydrophobicContact CG-CD2 4.24Å; F410-W417 AromaticContact CG-CE2 3.86Å; F410-W417 HydrophobicContact CG-CZ2 4.06Å
418	E	97.5	Very high	95.7	Very high	69 Å²	69	53.1 Å²	53.1	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.8	173	51.6	163.3	-148.5	0	0	112	E408 R409 V420	E408-E418 CarbonylContact C-O 3.57Å; E408-E418 VanDerWaalsContact CA-O 3.25Å; E408-E418 WeakPolarHBondContact CA-O 3.29Å; R409-E418 HydrophobicContact CB-CG 4.25Å; R409-E418 IonicContact CZ-OE1 3.6Å; R409-E418 PolarHBondContact N-O 3.14Å; R409-E418 IonicContact NE-OE1 3.71Å; R409-E418 PolarHBondContact NE-OE1 3.09Å; R409-E418 IonicContact NH2-OE1 3.33Å; R409-E418 PolarHBondContact NH2-OE1 2.89Å; R409-E418 PolarHBondContact O-N 3Å; E418-V420 HydrophobicContact CG-CG1 3.94Å; E418-V420 PolarHBondContact O-N 2.85Å; E418-V420 VanDerWaalsContact OE1-CG1 3.22Å; E418-V420 WeakPolarHBondContact OE1-CG1 3.3Å
419	V	97.3	Very high	95.6	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.418	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.4	174	-176.6	0	0	0	0	108.7	N377 T406 I407 E408	N377-V419 HydrophobicContact CB-CG2 4.37Å; T406-V419 HydrophobicContact CG2-CG1 4.16Å; I407-V419 WeakPolarHBondContact O-CA 3.41Å; E408-V419 HydrophobicContact CG-CG2 4.08Å
420	V	96.6	Very high	95.5	Very high	21 Å²	21	51.1 Å²	51.1	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-14.1	-172.5	-65.6	0	0	0	0	114.3	Y393 I407 R409 E418	Y393-V420 HydrophobicContact CD1-CG2 4.39Å; Y393-V420 HydrophobicContact CE1-CG2 4.14Å; I407-V420 HydrophobicContact CB-CG2 4.12Å; I407-V420 HydrophobicContact CG2-CG2 3.65Å; I407-V420 WeakPolarHBondContact O-CG2 3.42Å; I407-V420 PolarHBondContact O-N 3Å; R409-V420 HydrophobicContact CB-CB 4.5Å; R409-V420 HydrophobicContact CB-CG1 3.58Å; R409-V420 HydrophobicContact CB-CG2 4.08Å; E418-V420 HydrophobicContact CG-CG1 3.94Å; E418-V420 PolarHBondContact O-N 2.85Å; E418-V420 VanDerWaalsContact OE1-CG1 3.22Å; E418-V420 WeakPolarHBondContact OE1-CG1 3.3Å
421	G	95.3	Very high	95.4	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-167.1	-179.2	0	0	0	0	0	112.9	I407	I407-G421 PolarHBondContact N-O 2.78Å
422	N	96.4	Very high	95.4	Very high	85 Å²	85	50.2 Å²	50.2	46%	0.455	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.3	176.8	-63.2	-47	0	0	0	110.4	N405 T406 W465	N405-N422 CarbonylContact O-C 3.48Å; N405-N422 VanDerWaalsContact O-CA 3.23Å; N405-N422 WeakPolarHBondContact O-CA 3.25Å; T406-N422 WeakPolarHBondContact CA-OD1 3.46Å; T406-N422 VanDerWaalsContact CG2-OD1 3.23Å; T406-N422 WeakPolarHBondContact CG2-OD1 3.44Å; N422-W465 PolarHBondContact O-NE1 2.85Å
423	M	95.3	Very high	95.5	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.034	27%	0.267	C	S	.	.			trans	-69.6	146.5	169.3	-60.8	180	70.4	0	0	110.2	L395 G396 N405 I407 V425 R427 F430 V441 W465	L395-M423 HydrophobicContact CB-SD 3.98Å; G396-M423 WeakPolarHBondContact CA-SD 3.43Å; G396-M423 PolarHBondContact N-SD 2.92Å; G396-M423 VanDerWaalsContact N-SD 3.44Å; N405-M423 HydrophobicContact CB-CB 4.2Å; N405-M423 WeakPolarHBondContact O-CG 3.37Å; N405-M423 PolarHBondContact O-N 2.8Å; I407-M423 HydrophobicContact CG1-CG 4.11Å; M423-V425 VanDerWaalsContact C-N 3.26Å; M423-V425 PolarHBondContact O-N 3.16Å; M423-R427 HydrophobicContact CE-CG 3.58Å; M423-R427 HydrophobicContact SD-CG 4.48Å; M423-F430 HydrophobicContact CE-CE1 4.44Å; M423-F430 HydrophobicContact CE-CE2 4.19Å; M423-F430 HydrophobicContact CE-CZ 3.96Å; M423-F430 HydrophobicContact SD-CZ 4.21Å; M423-V441 HydrophobicContact CE-CG1 3.75Å; M423-V441 HydrophobicContact CE-CG2 4.32Å; M423-W465 HydrophobicContact CB-CH2 4.49Å; M423-W465 HydrophobicContact CB-CZ2 4.03Å; M423-W465 HydrophobicContact CE-CH2 4.36Å; M423-W465 HydrophobicContact CG-CH2 4.19Å; M423-W465 HydrophobicContact CG-CZ2 3.84Å
424	A	91.3	Very high	95.7	Very high	65 Å²	65	44.7 Å²	44.7	54%	0.537	24%	0.242	S	C	.	.	S	Bend	trans	-65	-33.2	174.1	0	0	0	0	0	112.1	E456 W465	A424-E456 WeakPolarHBondContact CB-OE2 3.3Å; A424-W465 HydrophobicContact CB-CB 4.07Å; A424-W465 HydrophobicContact CB-CD2 4.34Å; A424-W465 HydrophobicContact CB-CG 3.99Å
425	V	92	Very high	95.6	Very high	53 Å²	53	39.1 Å²	39.1	32%	0.321	22%	0.217	S	C	.	.	S	Bend	trans	-133.4	119	178.9	177.6	0	0	0	0	109.5	M423 R427 L452	M423-V425 VanDerWaalsContact C-N 3.26Å; M423-V425 PolarHBondContact O-N 3.16Å; V425-R427 PolarHBondContact O-N 2.81Å; V425-R427 PolarHBondContact O-NE 2.83Å; V425-L452 HydrophobicContact CG1-CD1 4.19Å
426	S	94.4	Very high	95.3	Very high	20 Å²	20	42.3 Å²	42.3	14%	0.14	23%	0.229	C	C	.	.			trans	-57.6	130.1	172.3	-57.3	0	0	0	0	110.9	N405 N447	N405-S426 WeakPolarHBondContact CB-OG 3.5Å; S426-N447 WeakPolarHBondContact CB-OD1 3.4Å
427	R	95.5	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.			trans	-157.8	157	177.8	58.6	-177	75.4	-164	3.9	113	G397 I403 M423 V425 F430 G443 I445 L452 S454 E456	G397-R427 PolarHBondContact N-O 3.45Å; I403-R427 VanDerWaalsContact CG2-CA 3.5Å; I403-R427 VanDerWaalsContact CG2-N 3.28Å; M423-R427 HydrophobicContact CE-CG 3.58Å; M423-R427 HydrophobicContact SD-CG 4.48Å; V425-R427 PolarHBondContact O-N 2.81Å; V425-R427 PolarHBondContact O-NE 2.83Å; R427-F430 HydrophobicContact CB-CD1 4.22Å; R427-F430 HydrophobicContact CG-CB 4.18Å; R427-F430 HydrophobicContact CG-CD1 3.51Å; R427-F430 HydrophobicContact CG-CD2 4.49Å; R427-F430 HydrophobicContact CG-CE1 3.87Å; R427-F430 HydrophobicContact CG-CG 3.83Å; R427-F430 HydrophobicContact CG-CZ 4.47Å; R427-F430 WeakPolarHBondContact O-CE1 3.18Å; R427-G443 WeakPolarHBondContact CD-O 3.43Å; R427-G443 PolarHBondContact NH1-O 3.12Å; R427-I445 WeakPolarHBondContact CA-O 3.48Å; R427-I445 WeakPolarHBondContact CB-O 3.49Å; R427-L452 HydrophobicContact CB-CD1 4.29Å; R427-S454 PolarHBondContact NH1-OG 3.11Å; R427-S454 PolarHBondContact NH2-OG 3.29Å; R427-E456 IonicContact CZ-OE1 2.68Å; R427-E456 IonicContact NH1-OE1 3.22Å; R427-E456 IonicContact NH2-OE1 3.49Å; R427-E456 PolarHBondContact NH2-OE1 3.49Å
428	Y	95.3	Very high	95	Very high	47 Å²	47	39.3 Å²	39.3	18%	0.184	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-136.9	162.2	171.4	73.7	-60	0	0	0	110.3	G382 W398 I403 F430 G444 I445	G382-Y428 CarbonylContact O-C 3.53Å; G382-Y428 WeakPolarHBondContact O-CA 3.47Å; W398-Y428 HydrophobicContact CB-CD2 4.15Å; W398-Y428 HydrophobicContact CB-CG 4.45Å; I403-Y428 HydrophobicContact CD1-CD1 3.47Å; I403-Y428 VanDerWaalsContact CD1-CD1 3.47Å; I403-Y428 HydrophobicContact CD1-CE1 3.54Å; I403-Y428 HydrophobicContact CG1-CD1 3.7Å; I403-Y428 HydrophobicContact CG1-CE1 4.01Å; I403-Y428 HydrophobicContact CG1-CG 4.49Å; I403-Y428 HydrophobicContact CG2-CD1 4.3Å; Y428-F430 PolarHBondContact O-N 2.81Å; Y428-G444 WeakPolarHBondContact O-CA 3.38Å; Y428-I445 HydrophobicContact CD1-CB 3.88Å; Y428-I445 HydrophobicContact CD1-CG2 4.4Å; Y428-I445 HydrophobicContact CE1-CB 3.43Å; Y428-I445 VanDerWaalsContact CE1-CB 3.43Å; Y428-I445 HydrophobicContact CE1-CD1 4.13Å; Y428-I445 HydrophobicContact CE1-CG1 4.32Å; Y428-I445 HydrophobicContact CE1-CG2 3.55Å; Y428-I445 HydrophobicContact CE2-CD1 4.4Å; Y428-I445 PolarHBondContact N-O 3.47Å; Y428-I445 PolarHBondContact O-N 3.3Å
429	Y	95.4	Very high	95	Very high	27 Å²	27	36 Å²	36	11%	0.106	21%	0.205	C	C	.	.	S	Bend	trans	50.5	40.2	-171.8	-64.6	-63.1	0	0	0	113.6	G382 Y477 E578	G382-Y429 PolarHBondContact O-N 2.72Å; Y429-Y477 AromaticContact CD1-CD1 3.52Å; Y429-Y477 HydrophobicContact CD1-CD1 3.52Å; Y429-Y477 AromaticContact CD1-CE1 3.45Å; Y429-Y477 HydrophobicContact CD1-CE1 3.45Å; Y429-Y477 VanDerWaalsContact CD1-CE1 3.45Å; Y429-Y477 HydrophobicContact CD1-CG 4.47Å; Y429-Y477 HydrophobicContact CD2-CD1 4.06Å; Y429-Y477 AromaticContact CD2-CE1 3.29Å; Y429-Y477 HydrophobicContact CD2-CE1 3.29Å; Y429-Y477 HydrophobicContact CD2-CE2 4.18Å; Y429-Y477 AromaticContact CD2-CZ 3.34Å; Y429-Y477 WeakPolarHBondContact CD2-OH 3.27Å; Y429-Y477 HydrophobicContact CE1-CD1 4.01Å; Y429-Y477 AromaticContact CE1-CE1 3.62Å; Y429-Y477 HydrophobicContact CE1-CE1 3.62Å; Y429-Y477 HydrophobicContact CE2-CD1 4.49Å; Y429-Y477 AromaticContact CE2-CE1 3.47Å; Y429-Y477 HydrophobicContact CE2-CE1 3.47Å; Y429-Y477 VanDerWaalsContact CE2-CE1 3.47Å; Y429-Y477 AromaticContact CE2-CZ 3.67Å; Y429-Y477 WeakPolarHBondContact CE2-OH 3.33Å; Y429-Y477 AromaticContact CG-CD1 3.56Å; Y429-Y477 HydrophobicContact CG-CD1 3.56Å; Y429-Y477 AromaticContact CG-CE1 3.29Å; Y429-Y477 HydrophobicContact CG-CE1 3.29Å; Y429-Y477 HydrophobicContact CG-CE2 4.38Å; Y429-Y477 HydrophobicContact CG-CG 4.22Å; Y429-Y477 AromaticContact CG-CZ 3.72Å; Y429-Y477 AromaticContact CZ-CE1 3.64Å; Y429-Y477 PolarHBondContact O-N 3.31Å; Y429-E578 HydrophobicContact CE1-CG 4.15Å; Y429-E578 PolarHBondContact OH-OE2 3.48Å
430	F	96.6	Very high	95	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.057	19%	0.187	C	C	.	.			trans	-98.4	163.6	174.9	64.3	-84	0	0	0	110.9	G384 L395 M423 R427 Y428 C432 V441 G443	G384-F430 VanDerWaalsContact N-CZ 3.3Å; L395-F430 HydrophobicContact CB-CE2 4.45Å; L395-F430 HydrophobicContact CB-CZ 3.95Å; L395-F430 VanDerWaalsContact O-CZ 3.25Å; L395-F430 WeakPolarHBondContact O-CZ 3.37Å; M423-F430 HydrophobicContact CE-CE1 4.44Å; M423-F430 HydrophobicContact CE-CE2 4.19Å; M423-F430 HydrophobicContact CE-CZ 3.96Å; M423-F430 HydrophobicContact SD-CZ 4.21Å; R427-F430 HydrophobicContact CB-CD1 4.22Å; R427-F430 HydrophobicContact CG-CB 4.18Å; R427-F430 HydrophobicContact CG-CD1 3.51Å; R427-F430 HydrophobicContact CG-CD2 4.49Å; R427-F430 HydrophobicContact CG-CE1 3.87Å; R427-F430 HydrophobicContact CG-CG 3.83Å; R427-F430 HydrophobicContact CG-CZ 4.47Å; R427-F430 WeakPolarHBondContact O-CE1 3.18Å; Y428-F430 PolarHBondContact O-N 2.81Å; F430-C432 HydrophobicContact CD2-CB 4.41Å; F430-C432 HydrophobicContact CE2-CB 4.08Å; F430-V441 HydrophobicContact CD2-CG1 3.66Å; F430-V441 HydrophobicContact CE2-CG1 3.89Å; F430-V441 HydrophobicContact CE2-CG2 4.12Å; F430-V441 HydrophobicContact CG-CG1 4.44Å; F430-G443 WeakPolarHBondContact CB-O 3.48Å
431	G	95.6	Very high	95.1	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.1	173.6	0	0	0	0	0	111.6	I442	G431-I442 PolarHBondContact N-O 3.06Å; G431-I442 PolarHBondContact O-N 2.87Å
432	C	95.6	Very high	95.2	Very high	20 Å²	20	31.1 Å²	31.1	14%	0.135	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.9	-179.3	-173.1	0	0	0	0	109.8	F430 Y440	F430-C432 HydrophobicContact CD2-CB 4.41Å; F430-C432 HydrophobicContact CE2-CB 4.08Å; C432-Y440 WeakPolarHBondContact CA-O 3.45Å
433	C	95.9	Very high	95.2	Very high	11 Å²	11	27.1 Å²	27.1	7%	0.074	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.6	171	62.4	0	0	0	0	111.2	Y440 V480	C433-Y440 PolarHBondContact N-O 2.95Å; C433-Y440 VanDerWaalsContact N-O 3.11Å; C433-Y440 PolarHBondContact O-N 2.96Å; C433-V480 HydrophobicContact CB-CG1 3.91Å; C433-V480 VanDerWaalsContact SG-CG1 3.57Å
434	E	95.9	Very high	95.2	Very high	69 Å²	69	26.8 Å²	26.8	32%	0.322	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.1	169.8	-177.7	-82.7	154	0	0	109.6	C386 V387 C388 Q436 G437 L438	C386-E434 HydrophobicContact CB-CB 4.15Å; V387-E434 VanDerWaalsContact O-CB 3.28Å; V387-E434 WeakPolarHBondContact O-CB 3.25Å; V387-E434 VanDerWaalsContact O-CG 3.25Å; V387-E434 WeakPolarHBondContact O-CG 3.38Å; C388-E434 HydrophobicContact CB-CG 4.02Å; E434-Q436 PolarHBondContact OE1-N 3.25Å; E434-G437 WeakPolarHBondContact OE1-CA 3.41Å; E434-G437 PolarHBondContact OE1-N 2.85Å; E434-L438 WeakPolarHBondContact CA-O 3.29Å
435	M	93.6	Very high	95.4	Very high	17 Å²	17	24.2 Å²	24.2	8%	0.084	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	129.4	168.4	-164.5	-178.2	69.2	0	0	109.5	G437 L438 Y440 A482 F508	M435-G437 VanDerWaalsContact C-N 3.26Å; M435-G437 PolarHBondContact O-N 2.87Å; M435-L438 PolarHBondContact N-O 2.86Å; M435-L438 PolarHBondContact O-N 2.77Å; M435-Y440 HydrophobicContact CB-CD2 4.2Å; M435-Y440 HydrophobicContact CB-CE2 3.82Å; M435-Y440 HydrophobicContact CE-CE2 4.31Å; M435-A482 HydrophobicContact CB-CB 4.44Å; M435-A482 HydrophobicContact CG-CB 4.45Å; M435-A482 HydrophobicContact SD-CB 4.35Å; M435-F508 HydrophobicContact CE-CD2 3.7Å; M435-F508 HydrophobicContact CE-CE1 4.08Å; M435-F508 HydrophobicContact CE-CE2 3.11Å; M435-F508 HydrophobicContact CE-CG 4.37Å; M435-F508 HydrophobicContact CE-CZ 3.33Å; M435-F508 HydrophobicContact SD-CE2 4.17Å
436	Q	90.1	Very high	95.5	Very high	146 Å²	146	21.9 Å²	21.9	68%	0.682	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	35.4	176.1	-61.9	176.8	2.2	0	0	114.4	E434 L438 D485	E434-Q436 PolarHBondContact OE1-N 3.25Å; Q436-L438 VanDerWaalsContact C-N 3.33Å; Q436-D485 PolarHBondContact NE2-OD1 3.01Å
437	G	92.7	Very high	95.3	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	6.3	179.6	0	0	0	0	0	114.8	C388 Y389 E434 M435 P460	C388-G437 PolarHBondContact SG-O 3.06Å; C388-G437 VanDerWaalsContact SG-O 3.37Å; Y389-G437 WeakPolarHBondContact CE2-O 3.16Å; E434-G437 WeakPolarHBondContact OE1-CA 3.41Å; E434-G437 PolarHBondContact OE1-N 2.85Å; M435-G437 VanDerWaalsContact C-N 3.26Å; M435-G437 PolarHBondContact O-N 2.87Å; G437-P460 WeakPolarHBondContact O-CD 3.35Å
438	L	96.6	Very high	94.9	Very high	51 Å²	51	32.3 Å²	32.3	27%	0.267	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145	178.7	-62.4	177.5	0	0	0	111	E434 M435 Q436 Y440 V457 D459	E434-L438 WeakPolarHBondContact CA-O 3.29Å; M435-L438 PolarHBondContact N-O 2.86Å; M435-L438 PolarHBondContact O-N 2.77Å; Q436-L438 VanDerWaalsContact C-N 3.33Å; L438-Y440 HydrophobicContact CB-CD2 4.49Å; L438-Y440 HydrophobicContact CB-CE2 3.76Å; L438-V457 HydrophobicContact CB-CG2 3.7Å; L438-V457 HydrophobicContact CD1-CG2 4.04Å; L438-V457 HydrophobicContact CG-CG2 4.32Å; L438-D459 HydrophobicContact CD2-CB 3.7Å
439	I	97.8	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	179.5	-60	178.3	0	0	0	109	C388 Y393 L395 V457 Y458 P460	C388-I439 HydrophobicContact CB-CD1 4.18Å; C388-I439 HydrophobicContact CB-CG1 4.21Å; Y393-I439 HydrophobicContact CD1-CD1 4.01Å; Y393-I439 HydrophobicContact CD2-CD1 4Å; Y393-I439 HydrophobicContact CG-CD1 3.68Å; L395-I439 HydrophobicContact CD1-CG2 4.23Å; L395-I439 HydrophobicContact CD2-CG2 4.18Å; I439-V457 CarbonylContact O-C 3.54Å; I439-V457 WeakPolarHBondContact O-CA 3.34Å; I439-Y458 HydrophobicContact CB-CD1 4.43Å; I439-Y458 HydrophobicContact CD1-CD1 4.21Å; I439-Y458 PolarHBondContact N-O 2.82Å; I439-Y458 PolarHBondContact O-N 2.98Å; I439-P460 HydrophobicContact CD1-CG 3.88Å; I439-P460 HydrophobicContact CG1-CG 4.07Å
440	Y	97.6	Very high	94.2	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	-178	-68	-89.3	0	0	0	110.7	C432 C433 M435 L438 F455 V457 L468 I487 F508	C432-Y440 WeakPolarHBondContact CA-O 3.45Å; C433-Y440 PolarHBondContact N-O 2.95Å; C433-Y440 VanDerWaalsContact N-O 3.11Å; C433-Y440 PolarHBondContact O-N 2.96Å; M435-Y440 HydrophobicContact CB-CD2 4.2Å; M435-Y440 HydrophobicContact CB-CE2 3.82Å; M435-Y440 HydrophobicContact CE-CE2 4.31Å; L438-Y440 HydrophobicContact CB-CD2 4.49Å; L438-Y440 HydrophobicContact CB-CE2 3.76Å; Y440-F455 AromaticContact CD1-CE2 3.68Å; Y440-F455 HydrophobicContact CD1-CE2 3.68Å; Y440-F455 AromaticContact CD1-CZ 3.56Å; Y440-F455 HydrophobicContact CD1-CZ 3.56Å; Y440-F455 HydrophobicContact CE1-CZ 4.18Å; Y440-F455 HydrophobicContact CG-CE2 4.27Å; Y440-F455 HydrophobicContact CG-CZ 4.43Å; Y440-V457 HydrophobicContact CD1-CB 3.92Å; Y440-V457 HydrophobicContact CD1-CG2 3.88Å; Y440-V457 HydrophobicContact CE1-CB 3.89Å; Y440-V457 HydrophobicContact CE1-CG2 3.63Å; Y440-V457 HydrophobicContact CE2-CG2 4.32Å; Y440-V457 HydrophobicContact CG-CG2 4.35Å; Y440-L468 HydrophobicContact CD1-CD1 3.97Å; Y440-L468 HydrophobicContact CE1-CD1 3.77Å; Y440-I487 HydrophobicContact CD1-CD1 3.69Å; Y440-I487 HydrophobicContact CD2-CD1 3.77Å; Y440-I487 HydrophobicContact CE1-CD1 4.15Å; Y440-I487 HydrophobicContact CE2-CD1 4.25Å; Y440-I487 HydrophobicContact CG-CD1 3.46Å; Y440-I487 VanDerWaalsContact CG-CD1 3.46Å; Y440-F508 HydrophobicContact CD1-CZ 4.37Å; Y440-F508 AromaticContact CE1-CE1 3.7Å; Y440-F508 HydrophobicContact CE1-CE1 3.7Å; Y440-F508 AromaticContact CE1-CZ 3.59Å; Y440-F508 HydrophobicContact CE1-CZ 3.59Å; Y440-F508 HydrophobicContact CE2-CZ 4.48Å; Y440-F508 AromaticContact CZ-CE1 3.81Å; Y440-F508 AromaticContact CZ-CZ 3.66Å; Y440-F508 WeakPolarHBondContact OH-CE1 3.46Å
441	V	97.5	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124	-177	171.3	0	0	0	0	109.8	L395 M423 F430 E456 W465	L395-V441 HydrophobicContact CD2-CG2 4.38Å; M423-V441 HydrophobicContact CE-CG1 3.75Å; M423-V441 HydrophobicContact CE-CG2 4.32Å; F430-V441 HydrophobicContact CD2-CG1 3.66Å; F430-V441 HydrophobicContact CE2-CG1 3.89Å; F430-V441 HydrophobicContact CE2-CG2 4.12Å; F430-V441 HydrophobicContact CG-CG1 4.44Å; V441-E456 PolarHBondContact N-O 2.89Å; V441-E456 PolarHBondContact O-N 3.5Å; V441-W465 HydrophobicContact CB-CH2 4.45Å; V441-W465 HydrophobicContact CB-CZ3 4.17Å; V441-W465 HydrophobicContact CG2-CH2 3.78Å; V441-W465 HydrophobicContact CG2-CZ3 3.93Å
442	I	97.4	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.5	-169.2	-56	132.3	0	0	0	110.3	G431 F455 M471 L478 V480 I487 W513	G431-I442 PolarHBondContact N-O 3.06Å; G431-I442 PolarHBondContact O-N 2.87Å; I442-F455 HydrophobicContact CB-CD2 4.38Å; I442-F455 HydrophobicContact CD1-CD2 4.29Å; I442-F455 HydrophobicContact CD1-CE2 3.98Å; I442-F455 HydrophobicContact CG1-CD2 3.29Å; I442-F455 HydrophobicContact CG1-CE2 3.48Å; I442-F455 VanDerWaalsContact CG1-CE2 3.48Å; I442-F455 HydrophobicContact CG1-CG 4.37Å; I442-M471 HydrophobicContact CG2-CE 3.51Å; I442-M471 HydrophobicContact CG2-CG 4.3Å; I442-M471 HydrophobicContact CG2-SD 3.37Å; I442-M471 WeakPolarHBondContact CG2-SD 3.45Å; I442-L478 HydrophobicContact CB-CD1 4.45Å; I442-L478 HydrophobicContact CG2-CD1 3.88Å; I442-V480 HydrophobicContact CB-CG2 4.26Å; I442-V480 HydrophobicContact CD1-CB 4.24Å; I442-V480 HydrophobicContact CD1-CG1 3.45Å; I442-V480 VanDerWaalsContact CD1-CG1 3.45Å; I442-V480 HydrophobicContact CD1-CG2 3.73Å; I442-I487 HydrophobicContact CD1-CG2 3.61Å; I442-W513 HydrophobicContact CG2-CH2 4.25Å; I442-W513 HydrophobicContact CG2-CZ2 4.43Å
443	G	96.6	Very high	94.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.			trans	63.5	-145.4	171.8	0	0	0	0	0	113.9	R427 F430 L452 S454 R475	R427-G443 WeakPolarHBondContact CD-O 3.43Å; R427-G443 PolarHBondContact NH1-O 3.12Å; F430-G443 WeakPolarHBondContact CB-O 3.48Å; G443-L452 WeakPolarHBondContact CA-O 3.46Å; G443-S454 PolarHBondContact N-O 2.83Å; G443-R475 WeakPolarHBondContact CA-O 3.16Å
444	G	96.1	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.			trans	93.2	-172.6	-175.2	0	0	0	0	0	113.7	Y428 E451 L452 R475	Y428-G444 WeakPolarHBondContact O-CA 3.38Å; G444-E451 CarbonylContact O-C 3.59Å; G444-E451 WeakPolarHBondContact O-CA 3.02Å; G444-L452 WeakPolarHBondContact O-CB 3.29Å; G444-L452 PolarHBondContact O-N 2.81Å; G444-R475 PolarHBondContact N-O 3.23Å
445	I	95.1	Very high	94.2	Very high	11 Å²	11	39 Å²	39	6%	0.056	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-109.6	130.6	-179.1	-54.9	173.2	0	0	0	109	R427 Y428 A476 Y477	R427-I445 WeakPolarHBondContact CA-O 3.48Å; R427-I445 WeakPolarHBondContact CB-O 3.49Å; Y428-I445 HydrophobicContact CD1-CB 3.88Å; Y428-I445 HydrophobicContact CD1-CG2 4.4Å; Y428-I445 HydrophobicContact CE1-CB 3.43Å; Y428-I445 VanDerWaalsContact CE1-CB 3.43Å; Y428-I445 HydrophobicContact CE1-CD1 4.13Å; Y428-I445 HydrophobicContact CE1-CG1 4.32Å; Y428-I445 HydrophobicContact CE1-CG2 3.55Å; Y428-I445 HydrophobicContact CE2-CD1 4.4Å; Y428-I445 PolarHBondContact N-O 3.47Å; Y428-I445 PolarHBondContact O-N 3.3Å; I445-A476 HydrophobicContact CD1-CB 3.95Å; I445-A476 HydrophobicContact CG1-CB 3.43Å; I445-A476 VanDerWaalsContact CG1-CB 3.43Å; I445-Y477 HydrophobicContact CD1-CE2 3.84Å
446	S	93.8	Very high	94.3	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.035	20%	0.204	C	C	.	.			trans	-84.3	177.3	177.1	72.2	0	0	0	0	113.1	I403 E448 G449 I450	I403-S446 WeakPolarHBondContact CD1-O 3.49Å; S446-E448 WeakPolarHBondContact CB-OE2 2.86Å; S446-E448 PolarHBondContact O-N 3.07Å; S446-E448 PolarHBondContact OG-N 2.94Å; S446-E448 PolarHBondContact OG-OE2 2.81Å; S446-G449 PolarHBondContact O-N 2.79Å; S446-I450 PolarHBondContact N-O 3.45Å; S446-I450 PolarHBondContact OG-O 2.91Å
447	N	89.9	Confident	94.7	Very high	98 Å²	98	33 Å²	33	52%	0.524	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27	175.2	-70	-18.7	0	0	0	113.5	I403 S426 G449	I403-N447 WeakPolarHBondContact CB-OD1 3.48Å; S426-N447 WeakPolarHBondContact CB-OD1 3.4Å; N447-G449 PolarHBondContact O-N 3.38Å
448	E	87.7	Confident	94.9	Very high	140 Å²	140	32.9 Å²	32.9	65%	0.654	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.8	176.8	-56.8	73.3	-154.1	0	0	112.7	S446 I450	S446-E448 WeakPolarHBondContact CB-OE2 2.86Å; S446-E448 PolarHBondContact O-N 3.07Å; S446-E448 PolarHBondContact OG-N 2.94Å; S446-E448 PolarHBondContact OG-OE2 2.81Å; E448-I450 HydrophobicContact CB-CD1 3.94Å; E448-I450 HydrophobicContact CB-CG1 4.05Å; E448-I450 PolarHBondContact O-N 3.07Å
449	G	86	Confident	94.9	Very high	51 Å²	51	32.6 Å²	32.6	53%	0.526	17%	0.172	S	C	.	.	S	Bend	trans	76.2	12.5	-175.6	0	0	0	0	0	113.6	S446 N447	S446-G449 PolarHBondContact O-N 2.79Å; N447-G449 PolarHBondContact O-N 3.38Å
450	I	90.8	Very high	94.7	Very high	77 Å²	77	33.1 Å²	33.1	40%	0.395	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-97.3	137.5	-175.2	-61.3	173.5	0	0	0	109.7	S446 E448	S446-I450 PolarHBondContact N-O 3.45Å; S446-I450 PolarHBondContact OG-O 2.91Å; E448-I450 HydrophobicContact CB-CD1 3.94Å; E448-I450 HydrophobicContact CB-CG1 4.05Å; E448-I450 PolarHBondContact O-N 3.07Å
451	E	94.4	Very high	94.6	Very high	13 Å²	13	38.5 Å²	38.5	6%	0.061	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-72.8	134.6	173.8	-43.6	87.8	152.1	0	0	110.7	G444 R474 A476 W493 N494 E495	G444-E451 CarbonylContact O-C 3.59Å; G444-E451 WeakPolarHBondContact O-CA 3.02Å; E451-R474 HydrophobicContact CB-CB 4.09Å; E451-R474 WeakPolarHBondContact O-CD 3.41Å; E451-R474 WeakPolarHBondContact O-CG 3.39Å; E451-R474 PolarHBondContact O-NH1 2.82Å; E451-A476 HydrophobicContact CB-CB 4.35Å; E451-A476 HydrophobicContact CG-CB 3.97Å; E451-W493 HydrophobicContact CG-CE3 4.27Å; E451-W493 HydrophobicContact CG-CZ3 4.23Å; E451-W493 WeakPolarHBondContact OE1-CZ3 3.17Å; E451-N494 WeakPolarHBondContact OE1-CA 3.18Å; E451-E495 PolarHBondContact OE1-N 2.82Å
452	L	95.1	Very high	94.4	Very high	29 Å²	29	40.9 Å²	40.9	15%	0.152	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-92.4	148.1	-175.1	-63.5	174.9	0	0	0	110.6	V425 R427 G443 G444 R475	V425-L452 HydrophobicContact CG1-CD1 4.19Å; R427-L452 HydrophobicContact CB-CD1 4.29Å; G443-L452 WeakPolarHBondContact CA-O 3.46Å; G444-L452 WeakPolarHBondContact O-CB 3.29Å; G444-L452 PolarHBondContact O-N 2.81Å; L452-R475 PolarHBondContact O-N 3.27Å; L452-R475 VanDerWaalsContact O-N 3.09Å
453	R	95.8	Very high	94.3	Very high	130 Å²	130	47.1 Å²	47.1	49%	0.491	25%	0.248	S	C	.	.			trans	-107.5	2.9	162.5	65	171.8	-176.3	-166.7	2.7	112.2	P470 M471 R474	R453-P470 HydrophobicContact CG-CB 3.98Å; R453-P470 CarbonylContact O-C 3.33Å; R453-P470 VanDerWaalsContact O-CA 3.31Å; R453-P470 WeakPolarHBondContact O-CA 3.22Å; R453-P470 WeakPolarHBondContact O-CB 3.49Å; R453-M471 HydrophobicContact CB-CB 4.33Å; R453-M471 WeakPolarHBondContact CD-O 3.49Å; R453-M471 PolarHBondContact O-N 3.15Å; R453-R474 HydrophobicContact CB-CG 4.12Å
454	S	96.3	Very high	94.2	Very high	31 Å²	31	55.4 Å²	55.4	22%	0.217	28%	0.28	C	S	.	.			trans	-66	144.4	-175.8	52.5	0	0	0	0	110.6	R427 G443	R427-S454 PolarHBondContact NH1-OG 3.11Å; R427-S454 PolarHBondContact NH2-OG 3.29Å; G443-S454 PolarHBondContact N-O 2.83Å
455	F	96.8	Very high	94.3	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.7	176.8	178.7	-144.7	0	0	0	107.4	Y440 I442 L468 I487 Y506 W513	Y440-F455 AromaticContact CD1-CE2 3.68Å; Y440-F455 HydrophobicContact CD1-CE2 3.68Å; Y440-F455 AromaticContact CD1-CZ 3.56Å; Y440-F455 HydrophobicContact CD1-CZ 3.56Å; Y440-F455 HydrophobicContact CE1-CZ 4.18Å; Y440-F455 HydrophobicContact CG-CE2 4.27Å; Y440-F455 HydrophobicContact CG-CZ 4.43Å; I442-F455 HydrophobicContact CB-CD2 4.38Å; I442-F455 HydrophobicContact CD1-CD2 4.29Å; I442-F455 HydrophobicContact CD1-CE2 3.98Å; I442-F455 HydrophobicContact CG1-CD2 3.29Å; I442-F455 HydrophobicContact CG1-CE2 3.48Å; I442-F455 VanDerWaalsContact CG1-CE2 3.48Å; I442-F455 HydrophobicContact CG1-CG 4.37Å; F455-L468 HydrophobicContact CB-CB 4.35Å; F455-L468 HydrophobicContact CD1-CB 3.32Å; F455-L468 HydrophobicContact CD1-CD1 3.85Å; F455-L468 HydrophobicContact CD1-CG 4.24Å; F455-L468 HydrophobicContact CE1-CB 3.75Å; F455-L468 HydrophobicContact CE1-CD1 3.39Å; F455-L468 HydrophobicContact CE1-CG 4.21Å; F455-L468 HydrophobicContact CE2-CD1 4.27Å; F455-L468 HydrophobicContact CG-CB 3.92Å; F455-L468 HydrophobicContact CG-CD1 4.44Å; F455-L468 HydrophobicContact CZ-CD1 3.64Å; F455-L468 PolarHBondContact O-N 3.08Å; F455-I487 HydrophobicContact CE2-CD1 4.31Å; F455-I487 HydrophobicContact CZ-CD1 3.95Å; F455-Y506 HydrophobicContact CD1-CD2 4.25Å; F455-Y506 HydrophobicContact CD1-CE2 4.3Å; F455-Y506 HydrophobicContact CD1-CG 4.46Å; F455-Y506 AromaticContact CE1-CD1 3.68Å; F455-Y506 HydrophobicContact CE1-CD1 3.68Å; F455-Y506 AromaticContact CE1-CD2 3.9Å; F455-Y506 HydrophobicContact CE1-CD2 3.9Å; F455-Y506 AromaticContact CE1-CE1 3.81Å; F455-Y506 HydrophobicContact CE1-CE1 3.81Å; F455-Y506 HydrophobicContact CE1-CE2 4.02Å; F455-Y506 AromaticContact CE1-CG 3.71Å; F455-Y506 HydrophobicContact CE1-CG 3.71Å; F455-Y506 AromaticContact CE1-CZ 3.97Å; F455-Y506 HydrophobicContact CZ-CD1 4.19Å; F455-Y506 HydrophobicContact CZ-CG 4.39Å; F455-W513 HydrophobicContact CB-CZ2 4.24Å; F455-W513 AromaticContact CD1-CZ2 3.7Å; F455-W513 HydrophobicContact CD1-CZ2 3.7Å; F455-W513 AromaticContact CD1-NE1 3.79Å; F455-W513 HydrophobicContact CD2-CZ2 4.14Å; F455-W513 HydrophobicContact CE1-CZ2 4Å; F455-W513 HydrophobicContact CE2-CZ2 4.37Å; F455-W513 AromaticContact CG-CZ2 3.78Å; F455-W513 HydrophobicContact CG-CZ2 3.78Å; F455-W513 HydrophobicContact CZ-CZ2 4.33Å
456	E	96.7	Very high	94.4	Very high	19 Å²	19	60.1 Å²	60.1	9%	0.089	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149	-172.8	-71.3	168.3	-107.1	0	0	110	A424 R427 V441 W465	A424-E456 WeakPolarHBondContact CB-OE2 3.3Å; R427-E456 IonicContact CZ-OE1 2.68Å; R427-E456 IonicContact NH1-OE1 3.22Å; R427-E456 IonicContact NH2-OE1 3.49Å; R427-E456 PolarHBondContact NH2-OE1 3.49Å; V441-E456 PolarHBondContact N-O 2.89Å; V441-E456 PolarHBondContact O-N 3.5Å; E456-W465 HydrophobicContact CB-CE3 3.98Å; E456-W465 HydrophobicContact CB-CZ3 4.07Å
457	V	97.4	Very high	94.5	Very high	17 Å²	17	65.3 Å²	65.3	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	175.7	64.5	0	0	0	0	110	L438 I439 Y440 W465 S466 L468	L438-V457 HydrophobicContact CB-CG2 3.7Å; L438-V457 HydrophobicContact CD1-CG2 4.04Å; L438-V457 HydrophobicContact CG-CG2 4.32Å; I439-V457 CarbonylContact O-C 3.54Å; I439-V457 WeakPolarHBondContact O-CA 3.34Å; Y440-V457 HydrophobicContact CD1-CB 3.92Å; Y440-V457 HydrophobicContact CD1-CG2 3.88Å; Y440-V457 HydrophobicContact CE1-CB 3.89Å; Y440-V457 HydrophobicContact CE1-CG2 3.63Å; Y440-V457 HydrophobicContact CE2-CG2 4.32Å; Y440-V457 HydrophobicContact CG-CG2 4.35Å; V457-W465 WeakPolarHBondContact O-CA 3.16Å; V457-S466 PolarHBondContact N-O 3.23Å; V457-S466 PolarHBondContact O-N 3.44Å; V457-L468 HydrophobicContact CB-CD1 3.98Å; V457-L468 HydrophobicContact CG1-CD1 4.03Å; V457-L468 HydrophobicContact CG1-CG 4.17Å
458	Y	97.8	Very high	94.8	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.02	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.2	174	176.8	-111.1	0	0	0	109.4	I407 I439 P460 K463 R464 W465	I407-Y458 HydrophobicContact CD1-CD2 4.45Å; I407-Y458 HydrophobicContact CD1-CE1 4.24Å; I407-Y458 HydrophobicContact CD1-CE2 4.14Å; I439-Y458 HydrophobicContact CB-CD1 4.43Å; I439-Y458 HydrophobicContact CD1-CD1 4.21Å; I439-Y458 PolarHBondContact N-O 2.82Å; I439-Y458 PolarHBondContact O-N 2.98Å; Y458-P460 HydrophobicContact CD1-CG 4.1Å; Y458-P460 HydrophobicContact CE1-CB 4.07Å; Y458-P460 HydrophobicContact CE1-CG 4.08Å; Y458-P460 WeakPolarHBondContact O-CD 3.4Å; Y458-K463 HydrophobicContact CE2-CB 4.48Å; Y458-R464 WeakPolarHBondContact CA-O 2.97Å; Y458-W465 AromaticContact CD2-CD1 3.8Å; Y458-W465 AromaticContact CD2-CD2 3.91Å; Y458-W465 HydrophobicContact CD2-CD2 3.91Å; Y458-W465 AromaticContact CD2-CE2 3.46Å; Y458-W465 VanDerWaalsContact CD2-CE2 3.46Å; Y458-W465 HydrophobicContact CD2-CG 4.1Å; Y458-W465 AromaticContact CD2-CZ2 3.89Å; Y458-W465 HydrophobicContact CD2-CZ2 3.89Å; Y458-W465 AromaticContact CD2-NE1 3.41Å; Y458-W465 AromaticContact CE2-NE1 3.85Å; Y458-W465 HydrophobicContact CG-CD2 4.32Å; Y458-W465 AromaticContact CG-CE2 3.89Å; Y458-W465 HydrophobicContact CG-CH2 4.3Å; Y458-W465 AromaticContact CG-CZ2 3.88Å; Y458-W465 HydrophobicContact CG-CZ2 3.88Å
459	D	96.5	Very high	95.3	Very high	45 Å²	45	58.4 Å²	58.4	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.5	170.5	173.1	-2.3	0	0	0	109	L438 L461 S462 K463 R464	L438-D459 HydrophobicContact CD2-CB 3.7Å; D459-L461 PolarHBondContact O-N 2.88Å; D459-L461 WeakPolarHBondContact OD1-CA 3.46Å; D459-L461 WeakPolarHBondContact OD1-CB 3.29Å; D459-L461 PolarHBondContact OD1-N 3.25Å; D459-S462 WeakPolarHBondContact CB-OG 3.37Å; D459-S462 PolarHBondContact OD1-N 3.01Å; D459-S462 WeakPolarHBondContact OD2-CB 3.48Å; D459-S462 PolarHBondContact OD2-OG 3.42Å; D459-K463 WeakPolarHBondContact O-CA 3.24Å; D459-K463 PolarHBondContact O-N 3.46Å; D459-R464 PolarHBondContact N-O 2.96Å
460	P	94.6	Very high	95.8	Very high	12 Å²	12	59.1 Å²	59.1	8%	0.078	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.2	-179.4	-21.7	34.7	0	0	0	114.2	Y393 G437 I439 Y458	Y393-P460 HydrophobicContact CE1-CB 4.24Å; G437-P460 WeakPolarHBondContact O-CD 3.35Å; I439-P460 HydrophobicContact CD1-CG 3.88Å; I439-P460 HydrophobicContact CG1-CG 4.07Å; Y458-P460 HydrophobicContact CD1-CG 4.1Å; Y458-P460 HydrophobicContact CE1-CB 4.07Å; Y458-P460 HydrophobicContact CE1-CG 4.08Å; Y458-P460 WeakPolarHBondContact O-CD 3.4Å
461	L	93.7	Very high	96	Very high	123 Å²	123	55.6 Å²	55.6	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-48.5	-179.2	-61	179.5	0	0	0	110.9	Y389 D459	Y389-L461 HydrophobicContact CD2-CD2 4.34Å; Y389-L461 HydrophobicContact CE2-CD1 4.08Å; Y389-L461 HydrophobicContact CE2-CD2 4.14Å; Y389-L461 HydrophobicContact CE2-CG 3.85Å; D459-L461 PolarHBondContact O-N 2.88Å; D459-L461 WeakPolarHBondContact OD1-CA 3.46Å; D459-L461 WeakPolarHBondContact OD1-CB 3.29Å; D459-L461 PolarHBondContact OD1-N 3.25Å
462	S	94.1	Very high	96	Very high	50 Å²	50	57.9 Å²	57.9	35%	0.35	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.1	178.5	73.7	0	0	0	0	113.9	D459 R464	D459-S462 WeakPolarHBondContact CB-OG 3.37Å; D459-S462 PolarHBondContact OD1-N 3.01Å; D459-S462 WeakPolarHBondContact OD2-CB 3.48Å; D459-S462 PolarHBondContact OD2-OG 3.42Å; S462-R464 VanDerWaalsContact C-N 3.25Å; S462-R464 PolarHBondContact O-N 3.26Å
463	K	94.4	Very high	95.9	Very high	131 Å²	131	58.3 Å²	58.3	57%	0.57	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	35.1	-175.2	-54.2	-173.1	178	-166.3	0	113.1	Y458 D459	Y458-K463 HydrophobicContact CE2-CB 4.48Å; D459-K463 WeakPolarHBondContact O-CA 3.24Å; D459-K463 PolarHBondContact O-N 3.46Å
464	R	95.8	Very high	95.9	Very high	175 Å²	175	57.9 Å²	57.9	66%	0.66	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.1	-178.7	-60.6	-174.4	-157.8	-87.6	-2.1	111.2	Y458 D459 S462	Y458-R464 WeakPolarHBondContact CA-O 2.97Å; D459-R464 PolarHBondContact N-O 2.96Å; S462-R464 VanDerWaalsContact C-N 3.25Å; S462-R464 PolarHBondContact O-N 3.26Å
465	W	97.6	Very high	95.8	Very high	49 Å²	49	56.4 Å²	56.4	19%	0.186	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.5	170.8	-73.1	93.1	0	0	0	109.9	L395 I407 N422 M423 A424 V441 E456 V457 Y458	L395-W465 HydrophobicContact CD2-CH2 4.07Å; L395-W465 HydrophobicContact CD2-CZ2 4.26Å; I407-W465 HydrophobicContact CD1-CZ2 3.75Å; N422-W465 PolarHBondContact O-NE1 2.85Å; M423-W465 HydrophobicContact CB-CH2 4.49Å; M423-W465 HydrophobicContact CB-CZ2 4.03Å; M423-W465 HydrophobicContact CE-CH2 4.36Å; M423-W465 HydrophobicContact CG-CH2 4.19Å; M423-W465 HydrophobicContact CG-CZ2 3.84Å; A424-W465 HydrophobicContact CB-CB 4.07Å; A424-W465 HydrophobicContact CB-CD2 4.34Å; A424-W465 HydrophobicContact CB-CG 3.99Å; V441-W465 HydrophobicContact CB-CH2 4.45Å; V441-W465 HydrophobicContact CB-CZ3 4.17Å; V441-W465 HydrophobicContact CG2-CH2 3.78Å; V441-W465 HydrophobicContact CG2-CZ3 3.93Å; E456-W465 HydrophobicContact CB-CE3 3.98Å; E456-W465 HydrophobicContact CB-CZ3 4.07Å; V457-W465 WeakPolarHBondContact O-CA 3.16Å; Y458-W465 AromaticContact CD2-CD1 3.8Å; Y458-W465 AromaticContact CD2-CD2 3.91Å; Y458-W465 HydrophobicContact CD2-CD2 3.91Å; Y458-W465 AromaticContact CD2-CE2 3.46Å; Y458-W465 VanDerWaalsContact CD2-CE2 3.46Å; Y458-W465 HydrophobicContact CD2-CG 4.1Å; Y458-W465 AromaticContact CD2-CZ2 3.89Å; Y458-W465 HydrophobicContact CD2-CZ2 3.89Å; Y458-W465 AromaticContact CD2-NE1 3.41Å; Y458-W465 AromaticContact CE2-NE1 3.85Å; Y458-W465 HydrophobicContact CG-CD2 4.32Å; Y458-W465 AromaticContact CG-CE2 3.89Å; Y458-W465 HydrophobicContact CG-CH2 4.3Å; Y458-W465 AromaticContact CG-CZ2 3.88Å; Y458-W465 HydrophobicContact CG-CZ2 3.88Å
466	S	96.8	Very high	95.7	Very high	61 Å²	61	56.3 Å²	56.3	43%	0.427	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.4	174.3	-61.3	0	0	0	0	109.8	V457	V457-S466 PolarHBondContact N-O 3.23Å; V457-S466 PolarHBondContact O-N 3.44Å
467	P	96.8	Very high	95.7	Very high	113 Å²	113	57.3 Å²	57.3	73%	0.734	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	145.5	173.6	31.6	-33.9	0	0	0	110.7
468	L	96.5	Very high	95.6	Very high	45 Å²	45	57.1 Å²	57.1	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	166.6	173.8	-69.3	176.1	0	0	0	110.2	Y440 F455 V457	Y440-L468 HydrophobicContact CD1-CD1 3.97Å; Y440-L468 HydrophobicContact CE1-CD1 3.77Å; F455-L468 HydrophobicContact CB-CB 4.35Å; F455-L468 HydrophobicContact CD1-CB 3.32Å; F455-L468 HydrophobicContact CD1-CD1 3.85Å; F455-L468 HydrophobicContact CD1-CG 4.24Å; F455-L468 HydrophobicContact CE1-CB 3.75Å; F455-L468 HydrophobicContact CE1-CD1 3.39Å; F455-L468 HydrophobicContact CE1-CG 4.21Å; F455-L468 HydrophobicContact CE2-CD1 4.27Å; F455-L468 HydrophobicContact CG-CB 3.92Å; F455-L468 HydrophobicContact CG-CD1 4.44Å; F455-L468 HydrophobicContact CZ-CD1 3.64Å; F455-L468 PolarHBondContact O-N 3.08Å; V457-L468 HydrophobicContact CB-CD1 3.98Å; V457-L468 HydrophobicContact CG1-CD1 4.03Å; V457-L468 HydrophobicContact CG1-CG 4.17Å
469	P	96.4	Very high	95.5	Very high	49 Å²	49	57 Å²	57	32%	0.318	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-53.3	127.4	177.7	-28.5	37.2	0	0	0	111.6	Y506 E511 W513	P469-Y506 HydrophobicContact CB-CE2 4.24Å; P469-Y506 HydrophobicContact CG-CE2 4.25Å; P469-E511 WeakPolarHBondContact CG-O 3.18Å; P469-W513 PolarHBondContact O-NE1 2.87Å
470	P	96.8	Very high	95.5	Very high	66 Å²	66	55.7 Å²	55.7	43%	0.429	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-73	158.4	-175.6	30.3	-35.6	0	0	0	112	R453 W513	R453-P470 HydrophobicContact CG-CB 3.98Å; R453-P470 CarbonylContact O-C 3.33Å; R453-P470 VanDerWaalsContact O-CA 3.31Å; R453-P470 WeakPolarHBondContact O-CA 3.22Å; R453-P470 WeakPolarHBondContact O-CB 3.49Å; P470-W513 VanDerWaalsContact C-CD1 3.5Å
471	M	96.2	Very high	95.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.3	157.2	171.7	-65.8	-179.6	-63.7	0	0	111.5	I442 R453 T473 R475 L478 W513	I442-M471 HydrophobicContact CG2-CE 3.51Å; I442-M471 HydrophobicContact CG2-CG 4.3Å; I442-M471 HydrophobicContact CG2-SD 3.37Å; I442-M471 WeakPolarHBondContact CG2-SD 3.45Å; R453-M471 HydrophobicContact CB-CB 4.33Å; R453-M471 WeakPolarHBondContact CD-O 3.49Å; R453-M471 PolarHBondContact O-N 3.15Å; M471-T473 WeakPolarHBondContact CB-O 3.48Å; M471-R475 HydrophobicContact CE-CB 4.22Å; M471-R475 HydrophobicContact CE-CG 4.33Å; M471-L478 HydrophobicContact CE-CD1 4.46Å; M471-W513 HydrophobicContact CG-CD2 3.83Å; M471-W513 HydrophobicContact CG-CE3 4.16Å; M471-W513 HydrophobicContact CG-CG 4.42Å; M471-W513 HydrophobicContact CG-CH2 4.02Å; M471-W513 HydrophobicContact CG-CZ2 3.67Å; M471-W513 HydrophobicContact CG-CZ3 4.26Å; M471-W513 HydrophobicContact SD-CH2 4.32Å; M471-W513 HydrophobicContact SD-CZ2 4.45Å
472	G	93.8	Very high	95.6	Very high	62 Å²	62	51 Å²	51	64%	0.639	28%	0.282	S	S	*	.	S	Bend	trans	-67.6	-41.7	171.7	0	0	0	0	0	111.7	E504	G472-E504 PolarHBondContact N-OE2 2.86Å
473	T	93.3	Very high	95.3	Very high	37 Å²	37	49.3 Å²	49.3	23%	0.227	27%	0.269	C	S	.	.	S	Bend	trans	-107.6	142.7	-178.1	-54.3	0	0	0	0	111.5	M471 R475 N494 L500 E504	M471-T473 WeakPolarHBondContact CB-O 3.48Å; T473-R475 HydrophobicContact CG2-CG 4.47Å; T473-N494 WeakPolarHBondContact CG2-ND2 3.23Å; T473-L500 HydrophobicContact CG2-CD1 3.94Å; T473-E504 WeakPolarHBondContact CB-OE1 3.44Å; T473-E504 PolarHBondContact N-OE1 3.32Å
474	R	94.8	Very high	94.8	Very high	121 Å²	121	45.3 Å²	45.3	46%	0.457	25%	0.253	S	S	.	.			trans	-76.1	136.5	171.4	-63.5	170	-177.5	-120.7	8.5	109.4	E451 R453 N494	E451-R474 HydrophobicContact CB-CB 4.09Å; E451-R474 WeakPolarHBondContact O-CD 3.41Å; E451-R474 WeakPolarHBondContact O-CG 3.39Å; E451-R474 PolarHBondContact O-NH1 2.82Å; R453-R474 HydrophobicContact CB-CG 4.12Å; R474-N494 WeakPolarHBondContact O-CB 3.29Å; R474-N494 PolarHBondContact O-ND2 3.44Å
475	R	95.4	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.248	C	C	.	.			trans	-145.2	125.7	-172.6	-56.9	177	-177.3	-93.7	-1.9	111.2	G443 G444 L452 M471 T473 L478 G491 L500 T502 E504	G443-R475 WeakPolarHBondContact CA-O 3.16Å; G444-R475 PolarHBondContact N-O 3.23Å; L452-R475 PolarHBondContact O-N 3.27Å; L452-R475 VanDerWaalsContact O-N 3.09Å; M471-R475 HydrophobicContact CE-CB 4.22Å; M471-R475 HydrophobicContact CE-CG 4.33Å; T473-R475 HydrophobicContact CG2-CG 4.47Å; R475-L478 HydrophobicContact CB-CB 4.17Å; R475-L478 HydrophobicContact CB-CD1 4.08Å; R475-G491 PolarHBondContact NH1-O 3.35Å; R475-L500 HydrophobicContact CG-CD1 3.84Å; R475-T502 PolarHBondContact NH1-O 2.97Å; R475-T502 PolarHBondContact NH1-OG1 2.75Å; R475-T502 PolarHBondContact NH2-OG1 2.91Å; R475-E504 IonicContact CZ-OE1 2.75Å; R475-E504 VanDerWaalsContact CZ-OE1 3.31Å; R475-E504 IonicContact NE-OE1 3.31Å; R475-E504 PolarHBondContact NE-OE1 2.96Å; R475-E504 IonicContact NH2-OE1 3.02Å; R475-E504 PolarHBondContact NH2-OE1 3.09Å
476	A	95.1	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-114.2	164.5	161.6	0	0	0	0	0	110	I445 E451 L478 G492 W493	I445-A476 HydrophobicContact CD1-CB 3.95Å; I445-A476 HydrophobicContact CG1-CB 3.43Å; I445-A476 VanDerWaalsContact CG1-CB 3.43Å; E451-A476 HydrophobicContact CB-CB 4.35Å; E451-A476 HydrophobicContact CG-CB 3.97Å; A476-L478 PolarHBondContact O-N 2.79Å; A476-G492 CarbonylContact O-C 3.51Å; A476-G492 WeakPolarHBondContact O-CA 3.32Å; A476-W493 PolarHBondContact N-O 2.72Å; A476-W493 PolarHBondContact O-N 2.87Å
477	Y	95.3	Very high	94.1	Very high	40 Å²	40	37 Å²	37	16%	0.157	22%	0.222	C	C	.	.	S	Bend	trans	53.5	27.7	-178.9	-55.1	-93.1	0	0	0	113.6	Y429 I445 W493 G525 E578	Y429-Y477 AromaticContact CD1-CD1 3.52Å; Y429-Y477 HydrophobicContact CD1-CD1 3.52Å; Y429-Y477 AromaticContact CD1-CE1 3.45Å; Y429-Y477 HydrophobicContact CD1-CE1 3.45Å; Y429-Y477 VanDerWaalsContact CD1-CE1 3.45Å; Y429-Y477 HydrophobicContact CD1-CG 4.47Å; Y429-Y477 HydrophobicContact CD2-CD1 4.06Å; Y429-Y477 AromaticContact CD2-CE1 3.29Å; Y429-Y477 HydrophobicContact CD2-CE1 3.29Å; Y429-Y477 HydrophobicContact CD2-CE2 4.18Å; Y429-Y477 AromaticContact CD2-CZ 3.34Å; Y429-Y477 WeakPolarHBondContact CD2-OH 3.27Å; Y429-Y477 HydrophobicContact CE1-CD1 4.01Å; Y429-Y477 AromaticContact CE1-CE1 3.62Å; Y429-Y477 HydrophobicContact CE1-CE1 3.62Å; Y429-Y477 HydrophobicContact CE2-CD1 4.49Å; Y429-Y477 AromaticContact CE2-CE1 3.47Å; Y429-Y477 HydrophobicContact CE2-CE1 3.47Å; Y429-Y477 VanDerWaalsContact CE2-CE1 3.47Å; Y429-Y477 AromaticContact CE2-CZ 3.67Å; Y429-Y477 WeakPolarHBondContact CE2-OH 3.33Å; Y429-Y477 AromaticContact CG-CD1 3.56Å; Y429-Y477 HydrophobicContact CG-CD1 3.56Å; Y429-Y477 AromaticContact CG-CE1 3.29Å; Y429-Y477 HydrophobicContact CG-CE1 3.29Å; Y429-Y477 HydrophobicContact CG-CE2 4.38Å; Y429-Y477 HydrophobicContact CG-CG 4.22Å; Y429-Y477 AromaticContact CG-CZ 3.72Å; Y429-Y477 AromaticContact CZ-CE1 3.64Å; Y429-Y477 PolarHBondContact O-N 3.31Å; I445-Y477 HydrophobicContact CD1-CE2 3.84Å; Y477-W493 HydrophobicContact CD2-CB 4.24Å; Y477-G525 PolarHBondContact O-N 3.05Å; Y477-E578 HydrophobicContact CD1-CG 4.27Å; Y477-E578 WeakPolarHBondContact CE1-OE1 3.21Å
478	L	96	Very high	94.1	Very high	13 Å²	13	32 Å²	32	7%	0.068	19%	0.188	C	C	.	.			trans	-79.7	153.6	-179.2	70.5	169.5	0	0	0	111.2	I442 M471 R475 A476 V480	I442-L478 HydrophobicContact CB-CD1 4.45Å; I442-L478 HydrophobicContact CG2-CD1 3.88Å; M471-L478 HydrophobicContact CE-CD1 4.46Å; R475-L478 HydrophobicContact CB-CB 4.17Å; R475-L478 HydrophobicContact CB-CD1 4.08Å; A476-L478 PolarHBondContact O-N 2.79Å; L478-V480 HydrophobicContact CD1-CG2 3.88Å; L478-V480 HydrophobicContact CG-CG2 4.12Å
479	G	95.7	Very high	94.1	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	141.1	164.4	0	0	0	0	0	111.1	I490	G479-I490 PolarHBondContact N-O 3.44Å; G479-I490 PolarHBondContact O-N 2.85Å
480	V	96.7	Very high	94.2	Very high	17 Å²	17	27.5 Å²	27.5	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.3	175	169.8	0	0	0	0	110	C433 I442 L478 I487 Y488	C433-V480 HydrophobicContact CB-CG1 3.91Å; C433-V480 VanDerWaalsContact SG-CG1 3.57Å; I442-V480 HydrophobicContact CB-CG2 4.26Å; I442-V480 HydrophobicContact CD1-CB 4.24Å; I442-V480 HydrophobicContact CD1-CG1 3.45Å; I442-V480 VanDerWaalsContact CD1-CG1 3.45Å; I442-V480 HydrophobicContact CD1-CG2 3.73Å; L478-V480 HydrophobicContact CD1-CG2 3.88Å; L478-V480 HydrophobicContact CG-CG2 4.12Å; V480-I487 HydrophobicContact CG1-CG2 4Å; V480-Y488 VanDerWaalsContact CA-O 3.32Å; V480-Y488 WeakPolarHBondContact CA-O 3.22Å
481	A	95.8	Very high	94.1	Very high	7 Å²	7	24.4 Å²	24.4	6%	0.058	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.4	170.4	0	0	0	0	0	110.9	Y488 V528 A530 L535	A481-Y488 PolarHBondContact N-O 2.9Å; A481-Y488 PolarHBondContact O-N 3.05Å; A481-V528 HydrophobicContact CB-CG1 3.87Å; A481-A530 HydrophobicContact CB-CB 4.33Å; A481-L535 HydrophobicContact CB-CD2 3.82Å
482	A	93.7	Very high	94	Very high	30 Å²	30	24.3 Å²	24.3	25%	0.248	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.7	168.6	0	0	0	0	0	109.3	M435 C486 A530	M435-A482 HydrophobicContact CB-CB 4.44Å; M435-A482 HydrophobicContact CG-CB 4.45Å; M435-A482 HydrophobicContact SD-CB 4.35Å; A482-C486 WeakPolarHBondContact CA-O 3.4Å; A482-A530 VanDerWaalsContact O-CB 3.27Å; A482-A530 WeakPolarHBondContact O-CB 3.31Å
483	L	89.3	Confident	94	Very high	14 Å²	14	24.2 Å²	24.2	7%	0.073	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	130.5	178.5	174.7	65.4	0	0	0	109.9	D485 C486 Y488 A530 L535 P561	L483-D485 PolarHBondContact O-N 2.75Å; L483-C486 PolarHBondContact N-O 2.8Å; L483-C486 WeakPolarHBondContact O-CB 3.37Å; L483-C486 PolarHBondContact O-N 2.86Å; L483-C486 VanDerWaalsContact O-N 3.08Å; L483-Y488 HydrophobicContact CB-CD2 4.15Å; L483-Y488 HydrophobicContact CB-CE2 3.94Å; L483-Y488 HydrophobicContact CD2-CE2 4.45Å; L483-Y488 HydrophobicContact CG-CE2 4.46Å; L483-A530 HydrophobicContact CB-CB 4.1Å; L483-A530 HydrophobicContact CD1-CB 4.24Å; L483-L535 HydrophobicContact CB-CD2 3.77Å; L483-L535 HydrophobicContact CD2-CD1 4.31Å; L483-L535 HydrophobicContact CD2-CD2 3.58Å; L483-L535 HydrophobicContact CD2-CG 3.57Å; L483-L535 HydrophobicContact CG-CD2 4.26Å; L483-P561 HydrophobicContact CD2-CG 4.04Å
484	N	82.4	Confident	93.8	Very high	46 Å²	46	22.7 Å²	22.7	25%	0.246	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	51.5	177.6	-59.6	-33.6	0	0	0	113.3	C486	N484-C486 PolarHBondContact O-N 2.79Å
485	D	86.5	Confident	93.4	Very high	105 Å²	105	24.3 Å²	24.3	56%	0.561	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	23	-178.1	-57.3	-54.1	0	0	0	114.2	Q436 L483 F508	Q436-D485 PolarHBondContact NE2-OD1 3.01Å; L483-D485 PolarHBondContact O-N 2.75Å; D485-F508 VanDerWaalsContact O-CD2 3.28Å; D485-F508 WeakPolarHBondContact O-CD2 3.21Å
486	C	92.4	Very high	92.8	Very high	7 Å²	7	30 Å²	30	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.9	174.3	-65.4	0	0	0	0	109.7	A482 L483 N484 Y488 K505 Y506	A482-C486 WeakPolarHBondContact CA-O 3.4Å; L483-C486 PolarHBondContact N-O 2.8Å; L483-C486 WeakPolarHBondContact O-CB 3.37Å; L483-C486 PolarHBondContact O-N 2.86Å; L483-C486 VanDerWaalsContact O-N 3.08Å; N484-C486 PolarHBondContact O-N 2.79Å; C486-Y488 HydrophobicContact CB-CD2 4.43Å; C486-Y488 HydrophobicContact CB-CE2 3.85Å; C486-K505 HydrophobicContact CB-CD 3.75Å; C486-K505 HydrophobicContact CB-CG 3.71Å; C486-Y506 WeakPolarHBondContact CA-O 3.42Å; C486-Y506 WeakPolarHBondContact CB-O 3.33Å
487	I	96.7	Very high	92	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.9	172.8	-68.4	171.3	0	0	0	108.9	Y440 I442 F455 V480 K505 Y506 F508 W513	Y440-I487 HydrophobicContact CD1-CD1 3.69Å; Y440-I487 HydrophobicContact CD2-CD1 3.77Å; Y440-I487 HydrophobicContact CE1-CD1 4.15Å; Y440-I487 HydrophobicContact CE2-CD1 4.25Å; Y440-I487 HydrophobicContact CG-CD1 3.46Å; Y440-I487 VanDerWaalsContact CG-CD1 3.46Å; I442-I487 HydrophobicContact CD1-CG2 3.61Å; F455-I487 HydrophobicContact CE2-CD1 4.31Å; F455-I487 HydrophobicContact CZ-CD1 3.95Å; V480-I487 HydrophobicContact CG1-CG2 4Å; I487-K505 CarbonylContact O-C 3.57Å; I487-K505 WeakPolarHBondContact O-CA 3.42Å; I487-Y506 PolarHBondContact N-O 2.95Å; I487-Y506 PolarHBondContact O-N 3.24Å; I487-F508 HydrophobicContact CD1-CE2 3.95Å; I487-F508 HydrophobicContact CD1-CZ 3.72Å; I487-F508 HydrophobicContact CG1-CE2 4.03Å; I487-F508 HydrophobicContact CG1-CZ 4.33Å; I487-W513 HydrophobicContact CG2-CH2 4.36Å
488	Y	97.3	Very high	91.7	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	179.1	-69.6	-101.7	0	0	0	109.9	V480 A481 L483 C486 V503 K505 L535 Y559	V480-Y488 VanDerWaalsContact CA-O 3.32Å; V480-Y488 WeakPolarHBondContact CA-O 3.22Å; A481-Y488 PolarHBondContact N-O 2.9Å; A481-Y488 PolarHBondContact O-N 3.05Å; L483-Y488 HydrophobicContact CB-CD2 4.15Å; L483-Y488 HydrophobicContact CB-CE2 3.94Å; L483-Y488 HydrophobicContact CD2-CE2 4.45Å; L483-Y488 HydrophobicContact CG-CE2 4.46Å; C486-Y488 HydrophobicContact CB-CD2 4.43Å; C486-Y488 HydrophobicContact CB-CE2 3.85Å; Y488-V503 HydrophobicContact CD1-CG1 4.33Å; Y488-K505 HydrophobicContact CD1-CB 3.96Å; Y488-K505 HydrophobicContact CD1-CD 4.45Å; Y488-K505 HydrophobicContact CD1-CG 3.99Å; Y488-K505 HydrophobicContact CD2-CG 4.26Å; Y488-K505 HydrophobicContact CE1-CB 3.86Å; Y488-K505 HydrophobicContact CE1-CD 3.63Å; Y488-K505 HydrophobicContact CE1-CG 3.66Å; Y488-K505 HydrophobicContact CE2-CD 3.96Å; Y488-K505 HydrophobicContact CE2-CG 3.94Å; Y488-K505 HydrophobicContact CG-CG 4.29Å; Y488-K505 VanDerWaalsContact OH-CD 3.25Å; Y488-K505 WeakPolarHBondContact OH-CD 3.32Å; Y488-L535 HydrophobicContact CD1-CD1 3.61Å; Y488-L535 HydrophobicContact CD2-CD1 3.86Å; Y488-L535 HydrophobicContact CE1-CD1 4.1Å; Y488-L535 HydrophobicContact CE2-CD1 4.34Å; Y488-L535 HydrophobicContact CG-CD1 3.45Å; Y488-L535 VanDerWaalsContact CG-CD1 3.45Å; Y488-Y559 HydrophobicContact CD1-CE1 4.43Å; Y488-Y559 HydrophobicContact CE1-CD1 4.42Å; Y488-Y559 AromaticContact CE1-CE1 3.71Å; Y488-Y559 HydrophobicContact CE1-CE1 3.71Å
489	S	97.1	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	169.8	65.9	0	0	0	0	108.7	V503 E504 W513	S489-V503 WeakPolarHBondContact O-CA 3.46Å; S489-V503 WeakPolarHBondContact O-CG1 3.39Å; S489-E504 PolarHBondContact N-O 3.41Å; S489-E504 PolarHBondContact O-N 2.57Å; S489-E504 WeakPolarHBondContact OG-CB 3.23Å; S489-E504 PolarHBondContact OG-O 2.8Å; S489-E504 VanDerWaalsContact OG-O 3.07Å; S489-W513 WeakPolarHBondContact OG-CZ3 2.92Å
490	I	97	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.4	-166.9	-64.8	164.2	0	0	0	110.1	G479 V503 M519 M526 V528 L535 V537 W566	G479-I490 PolarHBondContact N-O 3.44Å; G479-I490 PolarHBondContact O-N 2.85Å; I490-V503 HydrophobicContact CB-CG1 4.5Å; I490-V503 HydrophobicContact CB-CG2 4.31Å; I490-V503 HydrophobicContact CG1-CB 4.47Å; I490-V503 HydrophobicContact CG1-CG1 3.59Å; I490-V503 HydrophobicContact CG1-CG2 4.11Å; I490-V503 HydrophobicContact CG2-CG2 3.95Å; I490-M519 HydrophobicContact CG2-CE 3.78Å; I490-M519 HydrophobicContact CG2-CG 4.29Å; I490-M519 HydrophobicContact CG2-SD 3.43Å; I490-M519 WeakPolarHBondContact CG2-SD 3.38Å; I490-M526 HydrophobicContact CG2-SD 3.92Å; I490-V528 HydrophobicContact CB-CG2 4.38Å; I490-V528 HydrophobicContact CD1-CG1 3.49Å; I490-V528 VanDerWaalsContact CD1-CG1 3.49Å; I490-V528 HydrophobicContact CD1-CG2 4.41Å; I490-L535 HydrophobicContact CD1-CB 4.43Å; I490-L535 HydrophobicContact CD1-CD1 3.76Å; I490-V537 HydrophobicContact CD1-CG2 4.22Å; I490-V537 HydrophobicContact CG2-CG2 3.88Å; I490-W566 HydrophobicContact CD1-CH2 4.31Å; I490-W566 HydrophobicContact CG2-CH2 4.22Å
491	G	95.8	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.2	-134.4	176.5	0	0	0	0	0	113.1	R475 L500 T502	R475-G491 PolarHBondContact NH1-O 3.35Å; G491-L500 VanDerWaalsContact CA-O 3.25Å; G491-L500 WeakPolarHBondContact CA-O 3.41Å; G491-T502 PolarHBondContact N-O 2.91Å; G491-T502 VanDerWaalsContact N-O 3.07Å
492	G	94.9	Very high	91.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.9	-164.8	-176.6	0	0	0	0	0	112.1	A476 A499 L500 R523	A476-G492 CarbonylContact O-C 3.51Å; A476-G492 WeakPolarHBondContact O-CA 3.32Å; G492-A499 CarbonylContact O-C 3.59Å; G492-A499 WeakPolarHBondContact O-CA 3.48Å; G492-L500 PolarHBondContact O-N 3Å; G492-R523 PolarHBondContact N-O 2.69Å; G492-R523 VanDerWaalsContact O-O 3.09Å
493	W	93.1	Very high	91.5	Very high	61 Å²	61	38.8 Å²	38.8	23%	0.231	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.4	-179.7	-175.4	82.1	0	0	0	110.6	E451 A476 Y477 E495 D498 A524	E451-W493 HydrophobicContact CG-CE3 4.27Å; E451-W493 HydrophobicContact CG-CZ3 4.23Å; E451-W493 WeakPolarHBondContact OE1-CZ3 3.17Å; A476-W493 PolarHBondContact N-O 2.72Å; A476-W493 PolarHBondContact O-N 2.87Å; Y477-W493 HydrophobicContact CD2-CB 4.24Å; W493-E495 HydrophobicContact CH2-CB 4.31Å; W493-D498 VanDerWaalsContact CA-O 3.25Å; W493-D498 WeakPolarHBondContact CA-O 3.25Å; W493-D498 PolarHBondContact NE1-OD1 2.82Å; W493-A524 HydrophobicContact CB-CB 3.86Å
494	N	89.1	Confident	91.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	157	163.6	66.1	24	0	0	0	111	E451 T473 R474 T496 Q497 D498	E451-N494 WeakPolarHBondContact OE1-CA 3.18Å; T473-N494 WeakPolarHBondContact CG2-ND2 3.23Å; R474-N494 WeakPolarHBondContact O-CB 3.29Å; R474-N494 PolarHBondContact O-ND2 3.44Å; N494-T496 PolarHBondContact O-N 3.03Å; N494-T496 PolarHBondContact OD1-N 2.73Å; N494-T496 PolarHBondContact OD1-OG1 3.01Å; N494-Q497 PolarHBondContact ND2-OE1 3.21Å; N494-Q497 WeakPolarHBondContact OD1-CA 3.38Å; N494-Q497 VanDerWaalsContact OD1-CB 3.23Å; N494-Q497 WeakPolarHBondContact OD1-CB 3.08Å; N494-Q497 PolarHBondContact OD1-N 2.83Å; N494-D498 PolarHBondContact N-O 2.96Å; N494-D498 VanDerWaalsContact O-CA 3.32Å; N494-D498 WeakPolarHBondContact O-CA 3.33Å; N494-D498 PolarHBondContact O-N 3.47Å
495	E	85.6	Confident	92.5	Very high	154 Å²	154	37.9 Å²	37.9	72%	0.72	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.4	-179.7	-171	179.7	-162.2	0	0	113.8	E451 W493	E451-E495 PolarHBondContact OE1-N 2.82Å; W493-E495 HydrophobicContact CH2-CB 4.31Å
496	T	82.7	Confident	93	Very high	120 Å²	120	33.1 Å²	33.1	74%	0.736	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-27.8	-172	53.5	0	0	0	0	114.6	N494	N494-T496 PolarHBondContact O-N 3.03Å; N494-T496 PolarHBondContact OD1-N 2.73Å; N494-T496 PolarHBondContact OD1-OG1 3.01Å
497	Q	79.6	Confident	93	Very high	109 Å²	109	33.5 Å²	33.5	51%	0.509	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	5.8	-172	-52.5	178.1	-81.6	0	0	112.8	N494 A499 L500	N494-Q497 PolarHBondContact ND2-OE1 3.21Å; N494-Q497 WeakPolarHBondContact OD1-CA 3.38Å; N494-Q497 VanDerWaalsContact OD1-CB 3.23Å; N494-Q497 WeakPolarHBondContact OD1-CB 3.08Å; N494-Q497 PolarHBondContact OD1-N 2.83Å; Q497-A499 PolarHBondContact O-N 2.89Å; Q497-L500 HydrophobicContact CB-CD2 3.7Å; Q497-L500 HydrophobicContact CG-CD2 4.35Å
498	D	88.6	Confident	92.6	Very high	76 Å²	76	36.4 Å²	36.4	41%	0.406	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.2	-126.7	-172.9	-72.2	-52.8	0	0	0	112	W493 N494	W493-D498 VanDerWaalsContact CA-O 3.25Å; W493-D498 WeakPolarHBondContact CA-O 3.25Å; W493-D498 PolarHBondContact NE1-OD1 2.82Å; N494-D498 PolarHBondContact N-O 2.96Å; N494-D498 VanDerWaalsContact O-CA 3.32Å; N494-D498 WeakPolarHBondContact O-CA 3.33Å; N494-D498 PolarHBondContact O-N 3.47Å
499	A	91.9	Very high	92.2	Very high	8 Å²	8	43.9 Å²	43.9	7%	0.066	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	126.2	178.6	0	0	0	0	0	110.1	G492 Q497 P522	G492-A499 CarbonylContact O-C 3.59Å; G492-A499 WeakPolarHBondContact O-CA 3.48Å; Q497-A499 PolarHBondContact O-N 2.89Å; A499-P522 HydrophobicContact CB-CB 4.01Å; A499-P522 WeakPolarHBondContact O-CB 3.46Å
500	L	93.9	Very high	91.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.6	-178.6	-62.6	171.5	0	0	0	110.6	T473 R475 G491 G492 Q497 R523	T473-L500 HydrophobicContact CG2-CD1 3.94Å; R475-L500 HydrophobicContact CG-CD1 3.84Å; G491-L500 VanDerWaalsContact CA-O 3.25Å; G491-L500 WeakPolarHBondContact CA-O 3.41Å; G492-L500 PolarHBondContact O-N 3Å; Q497-L500 HydrophobicContact CB-CD2 3.7Å; Q497-L500 HydrophobicContact CG-CD2 4.35Å; L500-R523 PolarHBondContact O-N 2.75Å
501	H	94.6	Very high	91.6	Very high	84 Å²	84	55.8 Å²	55.8	39%	0.389	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-10.7	167.7	62.3	-70	0	0	0	111.8	S518 M519 P522	H501-S518 WeakPolarHBondContact CD2-CB 3.49Å; H501-S518 CarbonylContact O-C 3.47Å; H501-S518 WeakPolarHBondContact O-CA 3.38Å; H501-S518 WeakPolarHBondContact O-CB 3.37Å; H501-M519 HydrophobicContact CB-CB 4.33Å; H501-M519 PolarHBondContact O-N 3.47Å; H501-P522 HydrophobicContact CB-CB 4.08Å
502	T	96	Very high	91.5	Very high	16 Å²	16	60.3 Å²	60.3	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	150	-177.8	57.1	0	0	0	0	111.5	R475 G491	R475-T502 PolarHBondContact NH1-O 2.97Å; R475-T502 PolarHBondContact NH1-OG1 2.75Å; R475-T502 PolarHBondContact NH2-OG1 2.91Å; G491-T502 PolarHBondContact N-O 2.91Å; G491-T502 VanDerWaalsContact N-O 3.07Å
503	V	97.1	Very high	91.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.7	-177.4	-178.9	0	0	0	0	109.3	Y488 S489 I490 V516 M519 W566	Y488-V503 HydrophobicContact CD1-CG1 4.33Å; S489-V503 WeakPolarHBondContact O-CA 3.46Å; S489-V503 WeakPolarHBondContact O-CG1 3.39Å; I490-V503 HydrophobicContact CB-CG1 4.5Å; I490-V503 HydrophobicContact CB-CG2 4.31Å; I490-V503 HydrophobicContact CG1-CB 4.47Å; I490-V503 HydrophobicContact CG1-CG1 3.59Å; I490-V503 HydrophobicContact CG1-CG2 4.11Å; I490-V503 HydrophobicContact CG2-CG2 3.95Å; V503-V516 HydrophobicContact CB-CG2 3.72Å; V503-V516 HydrophobicContact CG1-CG2 3.47Å; V503-V516 VanDerWaalsContact CG1-CG2 3.47Å; V503-V516 PolarHBondContact O-N 3.22Å; V503-M519 HydrophobicContact CG2-CG 4.24Å; V503-W566 HydrophobicContact CG2-CZ2 3.86Å
504	E	97.1	Very high	91.7	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.5	176.2	-59.4	171.5	-117.4	0	0	109.5	G472 T473 R475 S489 W513	G472-E504 PolarHBondContact N-OE2 2.86Å; T473-E504 WeakPolarHBondContact CB-OE1 3.44Å; T473-E504 PolarHBondContact N-OE1 3.32Å; R475-E504 IonicContact CZ-OE1 2.75Å; R475-E504 VanDerWaalsContact CZ-OE1 3.31Å; R475-E504 IonicContact NE-OE1 3.31Å; R475-E504 PolarHBondContact NE-OE1 2.96Å; R475-E504 IonicContact NH2-OE1 3.02Å; R475-E504 PolarHBondContact NH2-OE1 3.09Å; S489-E504 PolarHBondContact N-O 3.41Å; S489-E504 PolarHBondContact O-N 2.57Å; S489-E504 WeakPolarHBondContact OG-CB 3.23Å; S489-E504 PolarHBondContact OG-O 2.8Å; S489-E504 VanDerWaalsContact OG-O 3.07Å; E504-W513 HydrophobicContact CB-CE3 3.68Å; E504-W513 HydrophobicContact CB-CZ3 4.28Å; E504-W513 WeakPolarHBondContact O-CZ3 3.41Å
505	K	96	Very high	92	Very high	29 Å²	29	67.7 Å²	67.7	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.9	176.3	-174.5	-170.5	80.9	167.3	0	110	C486 I487 Y488 W513 V514 V516	C486-K505 HydrophobicContact CB-CD 3.75Å; C486-K505 HydrophobicContact CB-CG 3.71Å; I487-K505 CarbonylContact O-C 3.57Å; I487-K505 WeakPolarHBondContact O-CA 3.42Å; Y488-K505 HydrophobicContact CD1-CB 3.96Å; Y488-K505 HydrophobicContact CD1-CD 4.45Å; Y488-K505 HydrophobicContact CD1-CG 3.99Å; Y488-K505 HydrophobicContact CD2-CG 4.26Å; Y488-K505 HydrophobicContact CE1-CB 3.86Å; Y488-K505 HydrophobicContact CE1-CD 3.63Å; Y488-K505 HydrophobicContact CE1-CG 3.66Å; Y488-K505 HydrophobicContact CE2-CD 3.96Å; Y488-K505 HydrophobicContact CE2-CG 3.94Å; Y488-K505 HydrophobicContact CG-CG 4.29Å; Y488-K505 VanDerWaalsContact OH-CD 3.25Å; Y488-K505 WeakPolarHBondContact OH-CD 3.32Å; K505-W513 CarbonylContact O-C 3.58Å; K505-W513 WeakPolarHBondContact O-CA 3.2Å; K505-V514 PolarHBondContact N-O 3.07Å; K505-V514 PolarHBondContact O-N 2.78Å; K505-V516 HydrophobicContact CB-CG1 3.96Å
506	Y	96.8	Very high	92.4	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.4	168.7	-171.4	-102.1	0	0	0	110.3	F455 P469 C486 I487 F508 E511 W513	F455-Y506 HydrophobicContact CD1-CD2 4.25Å; F455-Y506 HydrophobicContact CD1-CE2 4.3Å; F455-Y506 HydrophobicContact CD1-CG 4.46Å; F455-Y506 AromaticContact CE1-CD1 3.68Å; F455-Y506 HydrophobicContact CE1-CD1 3.68Å; F455-Y506 AromaticContact CE1-CD2 3.9Å; F455-Y506 HydrophobicContact CE1-CD2 3.9Å; F455-Y506 AromaticContact CE1-CE1 3.81Å; F455-Y506 HydrophobicContact CE1-CE1 3.81Å; F455-Y506 HydrophobicContact CE1-CE2 4.02Å; F455-Y506 AromaticContact CE1-CG 3.71Å; F455-Y506 HydrophobicContact CE1-CG 3.71Å; F455-Y506 AromaticContact CE1-CZ 3.97Å; F455-Y506 HydrophobicContact CZ-CD1 4.19Å; F455-Y506 HydrophobicContact CZ-CG 4.39Å; P469-Y506 HydrophobicContact CB-CE2 4.24Å; P469-Y506 HydrophobicContact CG-CE2 4.25Å; C486-Y506 WeakPolarHBondContact CA-O 3.42Å; C486-Y506 WeakPolarHBondContact CB-O 3.33Å; I487-Y506 PolarHBondContact N-O 2.95Å; I487-Y506 PolarHBondContact O-N 3.24Å; Y506-F508 HydrophobicContact CD1-CD1 4.26Å; Y506-F508 AromaticContact CD1-CD2 3.95Å; Y506-F508 HydrophobicContact CD1-CD2 3.95Å; Y506-F508 HydrophobicContact CD1-CE1 4.08Å; Y506-F508 AromaticContact CD1-CE2 3.75Å; Y506-F508 HydrophobicContact CD1-CE2 3.75Å; Y506-F508 HydrophobicContact CD1-CG 4.21Å; Y506-F508 AromaticContact CD1-CZ 3.83Å; Y506-F508 HydrophobicContact CD1-CZ 3.83Å; Y506-F508 AromaticContact CE1-CD1 3.71Å; Y506-F508 HydrophobicContact CE1-CD1 3.71Å; Y506-F508 HydrophobicContact CE1-CD2 4.19Å; Y506-F508 AromaticContact CE1-CE1 3.7Å; Y506-F508 HydrophobicContact CE1-CE1 3.7Å; Y506-F508 HydrophobicContact CE1-CE2 4.18Å; Y506-F508 AromaticContact CE1-CG 3.97Å; Y506-F508 HydrophobicContact CE1-CG 3.97Å; Y506-F508 AromaticContact CE1-CZ 3.95Å; Y506-F508 HydrophobicContact CE1-CZ 3.95Å; Y506-E511 WeakPolarHBondContact OH-CA 3.34Å; Y506-W513 AromaticContact CD2-CD1 3.73Å; Y506-W513 AromaticContact CD2-CD2 3.99Å; Y506-W513 HydrophobicContact CD2-CD2 3.99Å; Y506-W513 AromaticContact CD2-CE2 3.74Å; Y506-W513 AromaticContact CD2-CG 4Å; Y506-W513 HydrophobicContact CD2-CG 4Å; Y506-W513 HydrophobicContact CD2-CZ2 4.35Å; Y506-W513 AromaticContact CD2-NE1 3.55Å; Y506-W513 HydrophobicContact CG-CD2 4.39Å; Y506-W513 HydrophobicContact CG-CZ2 4.36Å
507	S	91.8	Very high	92.9	Very high	14 Å²	14	56.8 Å²	56.8	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.3	171.6	177.7	0	0	0	0	109.6	E509 E510 E511 K512	S507-E509 VanDerWaalsContact C-N 3.33Å; S507-E509 PolarHBondContact OG-N 3.45Å; S507-E510 PolarHBondContact O-N 3.42Å; S507-E511 WeakPolarHBondContact O-CA 3.27Å; S507-E511 PolarHBondContact O-N 3.24Å; S507-K512 PolarHBondContact N-O 2.89Å; S507-K512 PolarHBondContact O-N 2.75Å
508	F	89.5	Confident	93.7	Very high	62 Å²	62	53.6 Å²	53.6	27%	0.272	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.4	175.3	-71.3	-91.9	0	0	0	112.7	M435 Y440 D485 I487 Y506 E510	M435-F508 HydrophobicContact CE-CD2 3.7Å; M435-F508 HydrophobicContact CE-CE1 4.08Å; M435-F508 HydrophobicContact CE-CE2 3.11Å; M435-F508 HydrophobicContact CE-CG 4.37Å; M435-F508 HydrophobicContact CE-CZ 3.33Å; M435-F508 HydrophobicContact SD-CE2 4.17Å; Y440-F508 HydrophobicContact CD1-CZ 4.37Å; Y440-F508 AromaticContact CE1-CE1 3.7Å; Y440-F508 HydrophobicContact CE1-CE1 3.7Å; Y440-F508 AromaticContact CE1-CZ 3.59Å; Y440-F508 HydrophobicContact CE1-CZ 3.59Å; Y440-F508 HydrophobicContact CE2-CZ 4.48Å; Y440-F508 AromaticContact CZ-CE1 3.81Å; Y440-F508 AromaticContact CZ-CZ 3.66Å; Y440-F508 WeakPolarHBondContact OH-CE1 3.46Å; D485-F508 VanDerWaalsContact O-CD2 3.28Å; D485-F508 WeakPolarHBondContact O-CD2 3.21Å; I487-F508 HydrophobicContact CD1-CE2 3.95Å; I487-F508 HydrophobicContact CD1-CZ 3.72Å; I487-F508 HydrophobicContact CG1-CE2 4.03Å; I487-F508 HydrophobicContact CG1-CZ 4.33Å; Y506-F508 HydrophobicContact CD1-CD1 4.26Å; Y506-F508 AromaticContact CD1-CD2 3.95Å; Y506-F508 HydrophobicContact CD1-CD2 3.95Å; Y506-F508 HydrophobicContact CD1-CE1 4.08Å; Y506-F508 AromaticContact CD1-CE2 3.75Å; Y506-F508 HydrophobicContact CD1-CE2 3.75Å; Y506-F508 HydrophobicContact CD1-CG 4.21Å; Y506-F508 AromaticContact CD1-CZ 3.83Å; Y506-F508 HydrophobicContact CD1-CZ 3.83Å; Y506-F508 AromaticContact CE1-CD1 3.71Å; Y506-F508 HydrophobicContact CE1-CD1 3.71Å; Y506-F508 HydrophobicContact CE1-CD2 4.19Å; Y506-F508 AromaticContact CE1-CE1 3.7Å; Y506-F508 HydrophobicContact CE1-CE1 3.7Å; Y506-F508 HydrophobicContact CE1-CE2 4.18Å; Y506-F508 AromaticContact CE1-CG 3.97Å; Y506-F508 HydrophobicContact CE1-CG 3.97Å; Y506-F508 AromaticContact CE1-CZ 3.95Å; Y506-F508 HydrophobicContact CE1-CZ 3.95Å; F508-E510 VanDerWaalsContact C-N 3.3Å; F508-E510 PolarHBondContact O-N 3.29Å
509	E	88.3	Confident	94	Very high	163 Å²	163	50.2 Å²	50.2	76%	0.762	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.1	175.3	-63.5	-174.2	155.5	0	0	111.7	S507	S507-E509 VanDerWaalsContact C-N 3.33Å; S507-E509 PolarHBondContact OG-N 3.45Å
510	E	88.2	Confident	93.9	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.523	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-5.8	-175.6	-64.4	-75.2	148.5	0	0	113.2	S507 F508 K512	S507-E510 PolarHBondContact O-N 3.42Å; F508-E510 VanDerWaalsContact C-N 3.3Å; F508-E510 PolarHBondContact O-N 3.29Å; E510-K512 HydrophobicContact CB-CD 3.94Å; E510-K512 HydrophobicContact CB-CG 3.85Å; E510-K512 PolarHBondContact O-N 2.98Å; E510-K512 VanDerWaalsContact O-N 3.14Å; E510-K512 IonicContact OE2-NZ 3.97Å; E510-K512 PolarHBondContact OE2-NZ 3Å
511	E	92.8	Very high	93.7	Very high	139 Å²	139	57.8 Å²	57.8	65%	0.65	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	41.1	-173.8	-60.3	-175.3	167.6	0	0	113.7	P469 Y506 S507	P469-E511 WeakPolarHBondContact CG-O 3.18Å; Y506-E511 WeakPolarHBondContact OH-CA 3.34Å; S507-E511 WeakPolarHBondContact O-CA 3.27Å; S507-E511 PolarHBondContact O-N 3.24Å
512	K	94.4	Very high	93.6	Very high	95 Å²	95	55.4 Å²	55.4	41%	0.413	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.1	-176.4	77.6	-163.4	-177.2	-153.8	0	113.3	S507 E510 V514	S507-K512 PolarHBondContact N-O 2.89Å; S507-K512 PolarHBondContact O-N 2.75Å; E510-K512 HydrophobicContact CB-CD 3.94Å; E510-K512 HydrophobicContact CB-CG 3.85Å; E510-K512 PolarHBondContact O-N 2.98Å; E510-K512 VanDerWaalsContact O-N 3.14Å; E510-K512 IonicContact OE2-NZ 3.97Å; E510-K512 PolarHBondContact OE2-NZ 3Å; K512-V514 HydrophobicContact CG-CG2 3.97Å
513	W	96.9	Very high	93.5	Very high	33 Å²	33	54.6 Å²	54.6	13%	0.125	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.7	167.6	-67.1	93	0	0	0	110.5	I442 F455 P469 P470 M471 I487 S489 E504 K505 Y506	I442-W513 HydrophobicContact CG2-CH2 4.25Å; I442-W513 HydrophobicContact CG2-CZ2 4.43Å; F455-W513 HydrophobicContact CB-CZ2 4.24Å; F455-W513 AromaticContact CD1-CZ2 3.7Å; F455-W513 HydrophobicContact CD1-CZ2 3.7Å; F455-W513 AromaticContact CD1-NE1 3.79Å; F455-W513 HydrophobicContact CD2-CZ2 4.14Å; F455-W513 HydrophobicContact CE1-CZ2 4Å; F455-W513 HydrophobicContact CE2-CZ2 4.37Å; F455-W513 AromaticContact CG-CZ2 3.78Å; F455-W513 HydrophobicContact CG-CZ2 3.78Å; F455-W513 HydrophobicContact CZ-CZ2 4.33Å; P469-W513 PolarHBondContact O-NE1 2.87Å; P470-W513 VanDerWaalsContact C-CD1 3.5Å; M471-W513 HydrophobicContact CG-CD2 3.83Å; M471-W513 HydrophobicContact CG-CE3 4.16Å; M471-W513 HydrophobicContact CG-CG 4.42Å; M471-W513 HydrophobicContact CG-CH2 4.02Å; M471-W513 HydrophobicContact CG-CZ2 3.67Å; M471-W513 HydrophobicContact CG-CZ3 4.26Å; M471-W513 HydrophobicContact SD-CH2 4.32Å; M471-W513 HydrophobicContact SD-CZ2 4.45Å; I487-W513 HydrophobicContact CG2-CH2 4.36Å; S489-W513 WeakPolarHBondContact OG-CZ3 2.92Å; E504-W513 HydrophobicContact CB-CE3 3.68Å; E504-W513 HydrophobicContact CB-CZ3 4.28Å; E504-W513 WeakPolarHBondContact O-CZ3 3.41Å; K505-W513 CarbonylContact O-C 3.58Å; K505-W513 WeakPolarHBondContact O-CA 3.2Å; Y506-W513 AromaticContact CD2-CD1 3.73Å; Y506-W513 AromaticContact CD2-CD2 3.99Å; Y506-W513 HydrophobicContact CD2-CD2 3.99Å; Y506-W513 AromaticContact CD2-CE2 3.74Å; Y506-W513 AromaticContact CD2-CG 4Å; Y506-W513 HydrophobicContact CD2-CG 4Å; Y506-W513 HydrophobicContact CD2-CZ2 4.35Å; Y506-W513 AromaticContact CD2-NE1 3.55Å; Y506-W513 HydrophobicContact CG-CD2 4.39Å; Y506-W513 HydrophobicContact CG-CZ2 4.36Å
514	V	95.4	Very high	93.4	Very high	59 Å²	59	54.6 Å²	54.6	36%	0.358	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.4	176.8	-177.1	0	0	0	0	108.1	K505 K512	K505-V514 PolarHBondContact N-O 3.07Å; K505-V514 PolarHBondContact O-N 2.78Å; K512-V514 HydrophobicContact CG-CG2 3.97Å
515	E	95	Very high	93.2	Very high	129 Å²	129	54.3 Å²	54.3	60%	0.603	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.2	173.9	-168.3	170.4	-169.2	0	0	110
516	V	94.8	Very high	93.1	Very high	20 Å²	20	53.5 Å²	53.5	12%	0.121	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	177	176.3	-60.7	0	0	0	0	109.4	V503 K505 S518 Y559	V503-V516 HydrophobicContact CB-CG2 3.72Å; V503-V516 HydrophobicContact CG1-CG2 3.47Å; V503-V516 VanDerWaalsContact CG1-CG2 3.47Å; V503-V516 PolarHBondContact O-N 3.22Å; K505-V516 HydrophobicContact CB-CG1 3.96Å; V516-S518 PolarHBondContact O-N 2.91Å; V516-Y559 WeakPolarHBondContact CB-OH 3.35Å
517	A	93.3	Very high	92.9	Very high	25 Å²	25	53.6 Å²	53.6	21%	0.207	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-52.2	132.3	-179	0	0	0	0	0	112.1	Y559 D564 W566	A517-Y559 HydrophobicContact CB-CE2 4.32Å; A517-D564 HydrophobicContact CB-CB 4.45Å; A517-D564 WeakPolarHBondContact CB-O 3.26Å; A517-D564 VanDerWaalsContact CB-OD1 3.29Å; A517-D564 WeakPolarHBondContact CB-OD1 3.5Å; A517-D564 PolarHBondContact N-OD1 3.06Å; A517-D564 PolarHBondContact N-OD2 2.89Å; A517-W566 PolarHBondContact O-NE1 3.35Å
518	S	95.3	Very high	93.1	Very high	42 Å²	42	53.7 Å²	53.7	29%	0.294	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-77.2	151.5	180	-55.1	0	0	0	0	112	H501 V516 W566	H501-S518 WeakPolarHBondContact CD2-CB 3.49Å; H501-S518 CarbonylContact O-C 3.47Å; H501-S518 WeakPolarHBondContact O-CA 3.38Å; H501-S518 WeakPolarHBondContact O-CB 3.37Å; V516-S518 PolarHBondContact O-N 2.91Å; S518-W566 PolarHBondContact O-NE1 2.85Å
519	M	94.6	Very high	93.3	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-60	157.2	172.6	-64	-176.6	-65.3	0	0	111.1	I490 H501 V503 R523 M526 V537 W566	I490-M519 HydrophobicContact CG2-CE 3.78Å; I490-M519 HydrophobicContact CG2-CG 4.29Å; I490-M519 HydrophobicContact CG2-SD 3.43Å; I490-M519 WeakPolarHBondContact CG2-SD 3.38Å; H501-M519 HydrophobicContact CB-CB 4.33Å; H501-M519 PolarHBondContact O-N 3.47Å; V503-M519 HydrophobicContact CG2-CG 4.24Å; M519-R523 HydrophobicContact CE-CB 4.21Å; M519-M526 HydrophobicContact CE-CE 4.21Å; M519-M526 HydrophobicContact CE-SD 4Å; M519-M526 HydrophobicContact SD-SD 4.12Å; M519-V537 HydrophobicContact SD-CB 4.41Å; M519-V537 HydrophobicContact SD-CG1 3.9Å; M519-V537 HydrophobicContact SD-CG2 4.17Å; M519-W566 HydrophobicContact CG-CD2 4.03Å; M519-W566 HydrophobicContact CG-CE3 4.17Å; M519-W566 HydrophobicContact CG-CH2 3.71Å; M519-W566 HydrophobicContact CG-CZ2 3.6Å; M519-W566 HydrophobicContact CG-CZ3 3.99Å; M519-W566 HydrophobicContact SD-CH2 4.21Å; M519-W566 HydrophobicContact SD-CZ3 4.46Å
520	K	90.8	Very high	93.5	Very high	126 Å²	126	45.6 Å²	45.6	55%	0.548	24%	0.239	S	C	.	.	S	Bend	trans	-73	-34.4	176.1	-62.8	176.1	-177	168	0	111.7	E557 W566	K520-E557 WeakPolarHBondContact CB-OE2 3.49Å; K520-E557 PolarHBondContact N-OE2 2.8Å; K520-W566 WeakPolarHBondContact CE-O 3.45Å; K520-W566 PolarHBondContact NZ-O 3.32Å
521	V	90.2	Very high	93.5	Very high	44 Å²	44	40.6 Å²	40.6	27%	0.267	22%	0.215	S	C	.	.	S	Bend	trans	-115.3	130.8	-178.6	-174.7	0	0	0	0	109.5	R523 L553 E557	V521-R523 HydrophobicContact CG1-CG 4.47Å; V521-R523 WeakPolarHBondContact O-CG 3.25Å; V521-L553 HydrophobicContact CG1-CD1 3.87Å; V521-E557 PolarHBondContact N-OE1 2.81Å
522	P	92.3	Very high	92.7	Very high	33 Å²	33	35.5 Å²	35.5	21%	0.214	19%	0.193	C	C	.	.			trans	-68.6	134	171	26.8	-32.2	0	0	0	111	A499 H501	A499-P522 HydrophobicContact CB-CB 4.01Å; A499-P522 WeakPolarHBondContact O-CB 3.46Å; H501-P522 HydrophobicContact CB-CB 4.08Å
523	R	93.5	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.			trans	-138.7	143.1	-172.1	-63.3	170.9	-171	-95.9	-0	110.5	G492 L500 M519 V521 M526 G539 R541 L553 S555 E557	G492-R523 PolarHBondContact N-O 2.69Å; G492-R523 VanDerWaalsContact O-O 3.09Å; L500-R523 PolarHBondContact O-N 2.75Å; M519-R523 HydrophobicContact CE-CB 4.21Å; V521-R523 HydrophobicContact CG1-CG 4.47Å; V521-R523 WeakPolarHBondContact O-CG 3.25Å; R523-M526 HydrophobicContact CB-CB 4.3Å; R523-M526 HydrophobicContact CB-CE 3.38Å; R523-M526 HydrophobicContact CB-SD 3.8Å; R523-M526 WeakPolarHBondContact O-CE 3.39Å; R523-G539 PolarHBondContact NH1-O 3.46Å; R523-R541 CarbonylContact C-O 3.57Å; R523-R541 WeakPolarHBondContact CA-O 3.48Å; R523-L553 HydrophobicContact CG-CD1 3.81Å; R523-S555 PolarHBondContact NH1-O 3.14Å; R523-S555 PolarHBondContact NH1-OG 3.09Å; R523-S555 PolarHBondContact NH2-OG 3.47Å; R523-E557 IonicContact CZ-OE1 3.31Å; R523-E557 VanDerWaalsContact CZ-OE1 3.31Å; R523-E557 IonicContact NE-OE1 3.43Å; R523-E557 PolarHBondContact NE-OE1 3.07Å; R523-E557 IonicContact NH2-OE1 2.73Å; R523-E557 PolarHBondContact NH2-OE1 2.9Å
524	A	94.2	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-129.9	148.9	164.3	0	0	0	0	0	109.8	W493 M526 G540 R541 C577	W493-A524 HydrophobicContact CB-CB 3.86Å; A524-M526 VanDerWaalsContact C-N 3.27Å; A524-M526 PolarHBondContact O-N 3.48Å; A524-G540 CarbonylContact O-C 3.45Å; A524-G540 WeakPolarHBondContact O-CA 3.43Å; A524-R541 HydrophobicContact CB-CG 4.04Å; A524-R541 PolarHBondContact N-O 3.05Å; A524-R541 PolarHBondContact O-N 3.36Å; A524-C577 PolarHBondContact O-SG 3.41Å
525	G	92.9	Very high	91.3	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	17%	0.169	C	C	.	.	S	Bend	trans	66	30.9	179.4	0	0	0	0	0	112.8	Y477 E578	Y477-G525 PolarHBondContact O-N 3.05Å; G525-E578 PolarHBondContact O-N 3.2Å
526	M	94.7	Very high	91.3	Very high	12 Å²	12	23.5 Å²	23.5	6%	0.059	14%	0.142	C	C	.	.			trans	-84.2	161.2	179.5	75.6	-157.9	83.8	0	0	111.2	I490 M519 R523 A524 V528 V537	I490-M526 HydrophobicContact CG2-SD 3.92Å; M519-M526 HydrophobicContact CE-CE 4.21Å; M519-M526 HydrophobicContact CE-SD 4Å; M519-M526 HydrophobicContact SD-SD 4.12Å; R523-M526 HydrophobicContact CB-CB 4.3Å; R523-M526 HydrophobicContact CB-CE 3.38Å; R523-M526 HydrophobicContact CB-SD 3.8Å; R523-M526 WeakPolarHBondContact O-CE 3.39Å; A524-M526 VanDerWaalsContact C-N 3.27Å; A524-M526 PolarHBondContact O-N 3.48Å; M526-V528 HydrophobicContact CG-CG2 3.71Å; M526-V528 HydrophobicContact SD-CG2 4.18Å; M526-V537 HydrophobicContact CB-CG1 4.09Å; M526-V537 HydrophobicContact CG-CG1 3.83Å; M526-V537 HydrophobicContact SD-CG1 3.41Å; M526-V537 WeakPolarHBondContact SD-CG1 3.49Å
527	C	92.8	Very high	91.3	Very high	6 Å²	6	22.5 Å²	22.5	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.2	173.6	-51.6	0	0	0	0	109.5	V537 S538 G579 V581	C527-V537 WeakPolarHBondContact O-CA 3.21Å; C527-S538 PolarHBondContact N-O 3.13Å; C527-S538 PolarHBondContact O-N 3.5Å; C527-S538 PolarHBondContact O-OG 3.36Å; C527-G579 PolarHBondContact SG-O 2.78Å; C527-V581 HydrophobicContact CB-CB 3.73Å; C527-V581 HydrophobicContact CB-CG1 3.64Å
528	V	95.4	Very high	91.4	Very high	16 Å²	16	21.5 Å²	21.5	10%	0.097	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135	-177.4	-178.9	0	0	0	0	110.6	A481 I490 M526 Y536 V537 V581	A481-V528 HydrophobicContact CB-CG1 3.87Å; I490-V528 HydrophobicContact CB-CG2 4.38Å; I490-V528 HydrophobicContact CD1-CG1 3.49Å; I490-V528 VanDerWaalsContact CD1-CG1 3.49Å; I490-V528 HydrophobicContact CD1-CG2 4.41Å; M526-V528 HydrophobicContact CG-CG2 3.71Å; M526-V528 HydrophobicContact SD-CG2 4.18Å; V528-Y536 VanDerWaalsContact CA-O 3.29Å; V528-Y536 WeakPolarHBondContact CA-O 3.2Å; V528-V537 HydrophobicContact CG1-CG2 4.46Å; V528-V537 HydrophobicContact CG2-CB 4.47Å; V528-V537 HydrophobicContact CG2-CG1 4.28Å; V528-V537 HydrophobicContact CG2-CG2 3.96Å; V528-V581 WeakPolarHBondContact O-CG1 3.23Å
529	V	94.6	Very high	91.3	Very high	25 Å²	25	19.5 Å²	19.5	15%	0.152	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	146.9	175.5	69.6	0	0	0	0	112.3	L290 V531 Y536 V581 V583	L290-V529 HydrophobicContact CD2-CG1 3.76Å; L290-V529 HydrophobicContact CG-CG1 3.99Å; V529-V531 HydrophobicContact CG1-CG2 4.03Å; V529-V531 HydrophobicContact CG2-CG2 4.44Å; V529-Y536 PolarHBondContact N-O 3.15Å; V529-Y536 PolarHBondContact O-N 3.16Å; V529-V581 HydrophobicContact CB-CG1 3.84Å; V529-V581 HydrophobicContact CB-CG2 4.2Å; V529-V581 HydrophobicContact CG1-CG1 4.24Å; V529-V581 HydrophobicContact CG1-CG2 3.77Å; V529-V583 HydrophobicContact CB-CG2 4.14Å; V529-V583 HydrophobicContact CG1-CG2 3.75Å; V529-V583 HydrophobicContact CG2-CB 4.21Å; V529-V583 HydrophobicContact CG2-CG2 3.35Å
530	A	91.8	Very high	91.3	Very high	31 Å²	31	19.2 Å²	19.2	26%	0.256	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.1	174	0	0	0	0	0	110.5	A481 A482 L483 L534 L535	A481-A530 HydrophobicContact CB-CB 4.33Å; A482-A530 VanDerWaalsContact O-CB 3.27Å; A482-A530 WeakPolarHBondContact O-CB 3.31Å; L483-A530 HydrophobicContact CB-CB 4.1Å; L483-A530 HydrophobicContact CD1-CB 4.24Å; A530-L534 CarbonylContact C-O 3.53Å; A530-L534 WeakPolarHBondContact CA-O 3.37Å; A530-L535 HydrophobicContact CB-CD2 3.77Å
531	V	87.4	Confident	91.3	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.036	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.9	178.5	-170.5	0	0	0	0	110	K288 L290 T318 V529 G533 L534 Y536 V583	K288-V531 HydrophobicContact CB-CG1 3.59Å; K288-V531 HydrophobicContact CG-CG1 3.93Å; L290-V531 HydrophobicContact CD1-CB 4.45Å; L290-V531 HydrophobicContact CD1-CG1 4.33Å; L290-V531 HydrophobicContact CD1-CG2 3.83Å; L290-V531 HydrophobicContact CD2-CG2 4.49Å; L290-V531 HydrophobicContact CG-CG2 4.11Å; T318-V531 HydrophobicContact CG2-CG1 3.91Å; V529-V531 HydrophobicContact CG1-CG2 4.03Å; V529-V531 HydrophobicContact CG2-CG2 4.44Å; V531-G533 PolarHBondContact O-N 2.79Å; V531-G533 VanDerWaalsContact O-N 3.16Å; V531-L534 PolarHBondContact N-O 2.58Å; V531-L534 PolarHBondContact O-N 3.02Å; V531-Y536 HydrophobicContact CB-CD2 4.02Å; V531-Y536 HydrophobicContact CB-CE2 3.85Å; V531-Y536 HydrophobicContact CG2-CD2 4.24Å; V531-V583 HydrophobicContact CG1-CG1 4.32Å; V531-V583 HydrophobicContact CG2-CB 4.19Å; V531-V583 HydrophobicContact CG2-CG1 3.86Å; V531-V583 HydrophobicContact CG2-CG2 3.3Å
532	N	77.4	Confident	91.1	Very high	33 Å²	33	14.7 Å²	14.7	18%	0.176	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.6	174.7	-60	-25.4	0	0	0	113.7	P282 L534	P282-N532 HydrophobicContact CG-CB 4.27Å; P282-N532 WeakPolarHBondContact CG-ND2 3.39Å; N532-L534 VanDerWaalsContact C-N 3.31Å; N532-L534 PolarHBondContact O-N 3.31Å
533	G	78.7	Confident	90.5	Very high	22 Å²	22	14.8 Å²	14.8	23%	0.227	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.7	179.2	0	0	0	0	0	115.6	V531 P561	V531-G533 PolarHBondContact O-N 2.79Å; V531-G533 VanDerWaalsContact O-N 3.16Å; G533-P561 WeakPolarHBondContact O-CD 3.47Å; G533-P561 WeakPolarHBondContact O-CG 3.45Å
534	L	86.2	Confident	89.3	Confident	32 Å²	32	16.6 Å²	16.6	17%	0.168	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	155	-177.4	-57	173.9	0	0	0	110.9	A530 V531 N532 Y536 V558 N560	A530-L534 CarbonylContact C-O 3.53Å; A530-L534 WeakPolarHBondContact CA-O 3.37Å; V531-L534 PolarHBondContact N-O 2.58Å; V531-L534 PolarHBondContact O-N 3.02Å; N532-L534 VanDerWaalsContact C-N 3.31Å; N532-L534 PolarHBondContact O-N 3.31Å; L534-Y536 HydrophobicContact CB-CD2 4.48Å; L534-Y536 HydrophobicContact CB-CE2 3.9Å; L534-V558 HydrophobicContact CB-CG1 3.81Å; L534-V558 HydrophobicContact CD1-CG1 3.9Å; L534-V558 HydrophobicContact CG-CG1 4.33Å; L534-N560 HydrophobicContact CD2-CB 3.87Å
535	L	92.7	Very high	87.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.1	170.1	-56.1	172.9	0	0	0	109.7	A481 L483 Y488 I490 A530 V558 Y559	A481-L535 HydrophobicContact CB-CD2 3.82Å; L483-L535 HydrophobicContact CB-CD2 3.77Å; L483-L535 HydrophobicContact CD2-CD1 4.31Å; L483-L535 HydrophobicContact CD2-CD2 3.58Å; L483-L535 HydrophobicContact CD2-CG 3.57Å; L483-L535 HydrophobicContact CG-CD2 4.26Å; Y488-L535 HydrophobicContact CD1-CD1 3.61Å; Y488-L535 HydrophobicContact CD2-CD1 3.86Å; Y488-L535 HydrophobicContact CE1-CD1 4.1Å; Y488-L535 HydrophobicContact CE2-CD1 4.34Å; Y488-L535 HydrophobicContact CG-CD1 3.45Å; Y488-L535 VanDerWaalsContact CG-CD1 3.45Å; I490-L535 HydrophobicContact CD1-CB 4.43Å; I490-L535 HydrophobicContact CD1-CD1 3.76Å; A530-L535 HydrophobicContact CB-CD2 3.77Å; L535-V558 CarbonylContact O-C 3.41Å; L535-V558 VanDerWaalsContact O-CA 3.27Å; L535-V558 WeakPolarHBondContact O-CA 3.27Å; L535-Y559 HydrophobicContact CD1-CD1 3.86Å; L535-Y559 HydrophobicContact CG-CD1 4.31Å; L535-Y559 PolarHBondContact N-O 2.91Å; L535-Y559 VanDerWaalsContact N-O 3.12Å; L535-Y559 PolarHBondContact O-N 3.41Å
536	Y	94.3	Very high	86.2	Confident	9 Å²	9	29.9 Å²	29.9	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.7	175.1	-70.8	-103.3	0	0	0	108.9	L290 F316 V528 V529 V531 L534 V558 I569	L290-Y536 HydrophobicContact CD2-CD1 3.87Å; L290-Y536 HydrophobicContact CD2-CD2 4.31Å; L290-Y536 HydrophobicContact CD2-CG 3.71Å; F316-Y536 AromaticContact CE1-CE1 3.99Å; F316-Y536 HydrophobicContact CE1-CE1 3.99Å; V528-Y536 VanDerWaalsContact CA-O 3.29Å; V528-Y536 WeakPolarHBondContact CA-O 3.2Å; V529-Y536 PolarHBondContact N-O 3.15Å; V529-Y536 PolarHBondContact O-N 3.16Å; V531-Y536 HydrophobicContact CB-CD2 4.02Å; V531-Y536 HydrophobicContact CB-CE2 3.85Å; V531-Y536 HydrophobicContact CG2-CD2 4.24Å; L534-Y536 HydrophobicContact CB-CD2 4.48Å; L534-Y536 HydrophobicContact CB-CE2 3.9Å; Y536-V558 HydrophobicContact CD1-CG2 3.5Å; Y536-V558 VanDerWaalsContact CD1-CG2 3.5Å; Y536-V558 HydrophobicContact CE1-CG1 4.24Å; Y536-V558 HydrophobicContact CE1-CG2 3.44Å; Y536-V558 VanDerWaalsContact CE1-CG2 3.44Å; Y536-V558 HydrophobicContact CE2-CG1 4.3Å; Y536-V558 HydrophobicContact CG-CG2 4.23Å; Y536-I569 HydrophobicContact CD1-CD1 3.92Å; Y536-I569 HydrophobicContact CE1-CD1 3.79Å
537	V	95.6	Very high	84.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122	175.1	180	0	0	0	0	107.9	I490 M519 M526 C527 V528 V556 E557 W566	I490-V537 HydrophobicContact CD1-CG2 4.22Å; I490-V537 HydrophobicContact CG2-CG2 3.88Å; M519-V537 HydrophobicContact SD-CB 4.41Å; M519-V537 HydrophobicContact SD-CG1 3.9Å; M519-V537 HydrophobicContact SD-CG2 4.17Å; M526-V537 HydrophobicContact CB-CG1 4.09Å; M526-V537 HydrophobicContact CG-CG1 3.83Å; M526-V537 HydrophobicContact SD-CG1 3.41Å; M526-V537 WeakPolarHBondContact SD-CG1 3.49Å; C527-V537 WeakPolarHBondContact O-CA 3.21Å; V528-V537 HydrophobicContact CG1-CG2 4.46Å; V528-V537 HydrophobicContact CG2-CB 4.47Å; V528-V537 HydrophobicContact CG2-CG1 4.28Å; V528-V537 HydrophobicContact CG2-CG2 3.96Å; V537-V556 CarbonylContact O-C 3.57Å; V537-V556 VanDerWaalsContact O-CA 3.26Å; V537-V556 WeakPolarHBondContact O-CA 3.12Å; V537-V556 WeakPolarHBondContact O-CG1 3.48Å; V537-E557 PolarHBondContact N-O 3.39Å; V537-E557 PolarHBondContact O-N 2.8Å; V537-W566 HydrophobicContact CB-CZ3 4.14Å; V537-W566 HydrophobicContact CG2-CH2 3.5Å; V537-W566 VanDerWaalsContact CG2-CH2 3.5Å; V537-W566 HydrophobicContact CG2-CZ3 3.44Å; V537-W566 VanDerWaalsContact CG2-CZ3 3.44Å
538	S	94.6	Very high	83.5	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.4	-177	53.3	0	0	0	0	111.7	C527	C527-S538 PolarHBondContact N-O 3.13Å; C527-S538 PolarHBondContact O-N 3.5Å; C527-S538 PolarHBondContact O-OG 3.36Å
539	G	93.9	Very high	82.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.			trans	67.8	-140.5	174.1	0	0	0	0	0	114.8	R523 L553 S555 M572 R576	R523-G539 PolarHBondContact NH1-O 3.46Å; G539-L553 VanDerWaalsContact CA-O 3.27Å; G539-L553 WeakPolarHBondContact CA-O 3.4Å; G539-S555 PolarHBondContact N-O 3.41Å; G539-M572 VanDerWaalsContact CA-CE 3.48Å; G539-R576 CarbonylContact C-O 3.6Å; G539-R576 WeakPolarHBondContact CA-O 3.44Å
540	G	93.6	Very high	81.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.			trans	92.1	-173.1	-171.4	0	0	0	0	0	112.9	A524 T552 L553 R576	A524-G540 CarbonylContact O-C 3.45Å; A524-G540 WeakPolarHBondContact O-CA 3.43Å; G540-T552 WeakPolarHBondContact O-CA 3.34Å; G540-L553 PolarHBondContact O-N 3.44Å; G540-R576 PolarHBondContact N-O 3.42Å
541	R	91.1	Very high	81.4	Confident	39 Å²	39	41.4 Å²	41.4	15%	0.147	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-117	141.6	172.8	66.7	-173.8	175.7	102.7	-5.1	110.5	Y296 R523 A524	Y296-R541 WeakPolarHBondContact OH-CD 3.39Å; R523-R541 CarbonylContact C-O 3.57Å; R523-R541 WeakPolarHBondContact CA-O 3.48Å; A524-R541 HydrophobicContact CB-CG 4.04Å; A524-R541 PolarHBondContact N-O 3.05Å; A524-R541 PolarHBondContact O-N 3.36Å
542	S	85.7	Confident	81.6	Confident	35 Å²	35	41.8 Å²	41.8	25%	0.245	22%	0.224	C	C	.	.			trans	-79.4	167.5	170.6	-175.6	0	0	0	0	110.9	P550	S542-P550 WeakPolarHBondContact O-CB 3.32Å
543	S	80.3	Confident	82.3	Confident	36 Å²	36	41.7 Å²	41.7	25%	0.252	22%	0.223	S	C	.	.			trans	-60.2	150	162.8	52.3	0	0	0	0	110.6
544	S	68.6	Low	83	Confident	37 Å²	37	43.5 Å²	43.5	26%	0.259	23%	0.228	S	C	.	.			trans	-104.6	132.8	171.3	170.7	0	0	0	0	109.3	L548	S544-L548 VanDerWaalsContact CB-O 3.31Å; S544-L548 WeakPolarHBondContact CB-O 3.29Å; S544-L548 PolarHBondContact OG-N 2.87Å; S544-L548 PolarHBondContact OG-O 3.03Å
545	H	60.7	Low	83.3	Confident	147 Å²	147	42.4 Å²	42.4	68%	0.681	22%	0.223	S	C	*	.	S	Bend	trans	-90.5	140.4	160.8	-60.3	-62.1	0	0	0	108.3
546	D	61	Low	83.4	Confident	139 Å²	139	42.4 Å²	42.4	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	43.1	169.8	-49.5	-35.2	0	0	0	117.9	L548	D546-L548 PolarHBondContact O-N 3.4Å
547	F	63.9	Low	83.4	Confident	207 Å²	207	42 Å²	42	91%	0.908	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	7.9	173.5	-55.7	-86.2	0	0	0	115.9
548	L	67.1	Low	83.3	Confident	96 Å²	96	42.3 Å²	42.3	50%	0.503	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-71.2	157	176.3	-68.9	171.4	0	0	0	110.8	S544 D546 P550	S544-L548 VanDerWaalsContact CB-O 3.31Å; S544-L548 WeakPolarHBondContact CB-O 3.29Å; S544-L548 PolarHBondContact OG-N 2.87Å; S544-L548 PolarHBondContact OG-O 3.03Å; D546-L548 PolarHBondContact O-N 3.4Å; L548-P550 WeakPolarHBondContact O-CD 3.46Å
549	A	71.3	Confident	83.1	Confident	6 Å²	6	42.4 Å²	42.4	5%	0.05	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71	126.2	173.5	0	0	0	0	0	109.1	G302 W304 G551	G302-A549 WeakPolarHBondContact O-CB 3.38Å; W304-A549 HydrophobicContact CD2-CB 4.19Å; W304-A549 HydrophobicContact CG-CB 3.97Å; A549-G551 PolarHBondContact O-N 3.08Å
550	P	80.2	Confident	82.6	Confident	9 Å²	9	44.2 Å²	44.2	6%	0.058	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67.1	132.3	-176.3	15	-21.9	0	0	0	112	R298 S542 L548	R298-P550 PolarHBondContact NE-O 2.91Å; R298-P550 PolarHBondContact NH2-O 3.03Å; S542-P550 WeakPolarHBondContact O-CB 3.32Å; L548-P550 WeakPolarHBondContact O-CD 3.46Å
551	G	84.9	Confident	82	Confident	14 Å²	14	45.5 Å²	45.5	14%	0.144	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-67.7	151	175.8	0	0	0	0	0	112.3	R298 A549	R298-G551 WeakPolarHBondContact O-CA 3.25Å; A549-G551 PolarHBondContact O-N 3.08Å
552	T	91.4	Very high	81.1	Confident	14 Å²	14	46.8 Å²	46.8	9%	0.086	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-84.4	148	169.7	51.9	0	0	0	0	110.7	Y296 T297 R298 G540 S575 C577	Y296-T552 HydrophobicContact CD2-CG2 4.01Å; Y296-T552 HydrophobicContact CE2-CG2 3.61Å; T297-T552 PolarHBondContact OG1-OG1 3.15Å; R298-T552 HydrophobicContact CB-CG2 4.22Å; R298-T552 PolarHBondContact N-OG1 3.05Å; R298-T552 PolarHBondContact O-N 2.92Å; R298-T552 PolarHBondContact O-OG1 3.35Å; G540-T552 WeakPolarHBondContact O-CA 3.34Å; T552-S575 VanDerWaalsContact O-CB 3.32Å; T552-S575 WeakPolarHBondContact O-CB 3.41Å; T552-S575 WeakPolarHBondContact OG1-CB 3.47Å; T552-S575 PolarHBondContact OG1-OG 3.45Å; T552-C577 HydrophobicContact CG2-CB 3.7Å
553	L	92.5	Very high	80.5	Confident	31 Å²	31	47.9 Å²	47.9	16%	0.162	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-99.7	145.4	-177.7	-59.9	169.8	0	0	0	110.8	V521 R523 G539 G540 S575 R576	V521-L553 HydrophobicContact CG1-CD1 3.87Å; R523-L553 HydrophobicContact CG-CD1 3.81Å; G539-L553 VanDerWaalsContact CA-O 3.27Å; G539-L553 WeakPolarHBondContact CA-O 3.4Å; G540-L553 PolarHBondContact O-N 3.44Å; L553-S575 VanDerWaalsContact O-CA 3.24Å; L553-S575 WeakPolarHBondContact O-CA 3.36Å; L553-S575 WeakPolarHBondContact O-CB 3.04Å; L553-R576 PolarHBondContact O-N 2.72Å
554	D	93.3	Very high	80.7	Confident	60 Å²	60	49.4 Å²	49.4	32%	0.321	26%	0.261	S	S	.	.			trans	-106.5	-14.3	170.4	63.2	-28.4	0	0	0	112.2	N571 M572	D554-N571 HydrophobicContact CB-CB 4.41Å; D554-N571 WeakPolarHBondContact O-CA 3.42Å; D554-N571 PolarHBondContact OD2-ND2 2.82Å; D554-N571 VanDerWaalsContact OD2-ND2 3.09Å; D554-M572 HydrophobicContact CB-CB 4.47Å; D554-M572 PolarHBondContact O-N 3.02Å
555	S	93.5	Very high	81.4	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.063	27%	0.268	C	S	.	.			trans	-67	147.2	-178.7	56.9	0	0	0	0	112.5	R523 G539	R523-S555 PolarHBondContact NH1-O 3.14Å; R523-S555 PolarHBondContact NH1-OG 3.09Å; R523-S555 PolarHBondContact NH2-OG 3.47Å; G539-S555 PolarHBondContact N-O 3.41Å
556	V	94.2	Very high	82.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125	-177.3	-174.5	0	0	0	0	108.7	W323 V537 I569 M572	W323-V556 HydrophobicContact CZ2-CG1 4.46Å; W323-V556 HydrophobicContact CZ2-CG2 3.76Å; V537-V556 CarbonylContact O-C 3.57Å; V537-V556 VanDerWaalsContact O-CA 3.26Å; V537-V556 WeakPolarHBondContact O-CA 3.12Å; V537-V556 WeakPolarHBondContact O-CG1 3.48Å; V556-I569 HydrophobicContact CB-CD1 4.25Å; V556-I569 HydrophobicContact CB-CG1 3.77Å; V556-I569 HydrophobicContact CG1-CD1 3.67Å; V556-I569 HydrophobicContact CG1-CG1 3.68Å; V556-I569 PolarHBondContact O-N 3.1Å; V556-M572 HydrophobicContact CG2-CG 3.88Å
557	E	93.9	Very high	84.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.3	178.8	-65.2	-179.3	-112.2	0	0	110.1	K520 V521 R523 V537 W566 T567	K520-E557 WeakPolarHBondContact CB-OE2 3.49Å; K520-E557 PolarHBondContact N-OE2 2.8Å; V521-E557 PolarHBondContact N-OE1 2.81Å; R523-E557 IonicContact CZ-OE1 3.31Å; R523-E557 VanDerWaalsContact CZ-OE1 3.31Å; R523-E557 IonicContact NE-OE1 3.43Å; R523-E557 PolarHBondContact NE-OE1 3.07Å; R523-E557 IonicContact NH2-OE1 2.73Å; R523-E557 PolarHBondContact NH2-OE1 2.9Å; V537-E557 PolarHBondContact N-O 3.39Å; V537-E557 PolarHBondContact O-N 2.8Å; E557-W566 HydrophobicContact CB-CE3 3.7Å; E557-W566 HydrophobicContact CB-CZ3 4.09Å; E557-T567 CarbonylContact C-O 3.53Å; E557-T567 WeakPolarHBondContact CA-O 3.48Å
558	V	92.9	Very high	85.3	Confident	6 Å²	6	36.8 Å²	36.8	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124	179	-174.4	0	0	0	0	108.9	L534 L535 Y536 W566 T567 I569	L534-V558 HydrophobicContact CB-CG1 3.81Å; L534-V558 HydrophobicContact CD1-CG1 3.9Å; L534-V558 HydrophobicContact CG-CG1 4.33Å; L535-V558 CarbonylContact O-C 3.41Å; L535-V558 VanDerWaalsContact O-CA 3.27Å; L535-V558 WeakPolarHBondContact O-CA 3.27Å; Y536-V558 HydrophobicContact CD1-CG2 3.5Å; Y536-V558 VanDerWaalsContact CD1-CG2 3.5Å; Y536-V558 HydrophobicContact CE1-CG1 4.24Å; Y536-V558 HydrophobicContact CE1-CG2 3.44Å; Y536-V558 VanDerWaalsContact CE1-CG2 3.44Å; Y536-V558 HydrophobicContact CE2-CG1 4.3Å; Y536-V558 HydrophobicContact CG-CG2 4.23Å; V558-W566 WeakPolarHBondContact O-CA 3.32Å; V558-T567 PolarHBondContact N-O 3.26Å; V558-T567 PolarHBondContact O-N 3.19Å; V558-T567 PolarHBondContact O-OG1 2.98Å; V558-I569 HydrophobicContact CG2-CB 4.41Å; V558-I569 HydrophobicContact CG2-CD1 3.62Å; V558-I569 HydrophobicContact CG2-CG1 3.86Å; V558-I569 HydrophobicContact CG2-CG2 3.68Å
559	Y	91.3	Very high	86.4	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.2	174.2	177.5	-110.6	0	0	0	110.4	Y488 V516 A517 L535 P561 D564 W566	Y488-Y559 HydrophobicContact CD1-CE1 4.43Å; Y488-Y559 HydrophobicContact CE1-CD1 4.42Å; Y488-Y559 AromaticContact CE1-CE1 3.71Å; Y488-Y559 HydrophobicContact CE1-CE1 3.71Å; V516-Y559 WeakPolarHBondContact CB-OH 3.35Å; A517-Y559 HydrophobicContact CB-CE2 4.32Å; L535-Y559 HydrophobicContact CD1-CD1 3.86Å; L535-Y559 HydrophobicContact CG-CD1 4.31Å; L535-Y559 PolarHBondContact N-O 2.91Å; L535-Y559 VanDerWaalsContact N-O 3.12Å; L535-Y559 PolarHBondContact O-N 3.41Å; Y559-P561 HydrophobicContact CD1-CB 4.42Å; Y559-P561 VanDerWaalsContact CE1-CA 3.49Å; Y559-P561 HydrophobicContact CE1-CB 3.82Å; Y559-D564 VanDerWaalsContact CE2-OD1 3.27Å; Y559-D564 WeakPolarHBondContact CE2-OD1 3.39Å; Y559-D564 PolarHBondContact OH-OD1 2.79Å; Y559-W566 VanDerWaalsContact CB-CH2 3.49Å; Y559-W566 AromaticContact CD2-CD1 3.88Å; Y559-W566 AromaticContact CD2-CD2 3.99Å; Y559-W566 HydrophobicContact CD2-CD2 3.99Å; Y559-W566 AromaticContact CD2-CE2 3.49Å; Y559-W566 VanDerWaalsContact CD2-CE2 3.49Å; Y559-W566 HydrophobicContact CD2-CG 4.23Å; Y559-W566 AromaticContact CD2-CZ2 3.84Å; Y559-W566 HydrophobicContact CD2-CZ2 3.84Å; Y559-W566 AromaticContact CD2-NE1 3.39Å; Y559-W566 AromaticContact CE2-NE1 3.98Å; Y559-W566 HydrophobicContact CG-CD2 4.34Å; Y559-W566 AromaticContact CG-CE2 3.89Å; Y559-W566 HydrophobicContact CG-CH2 4.25Å; Y559-W566 AromaticContact CG-CZ2 3.81Å; Y559-W566 HydrophobicContact CG-CZ2 3.81Å
560	N	82.9	Confident	86.9	Confident	39 Å²	39	35.2 Å²	35.2	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.7	168.8	-172.9	-21.6	0	0	0	109.5	L534 H562 S563 D564 T565	L534-N560 HydrophobicContact CD2-CB 3.87Å; N560-H562 PolarHBondContact O-N 3.35Å; N560-H562 VanDerWaalsContact O-N 3.15Å; N560-H562 VanDerWaalsContact OD1-CB 3.23Å; N560-H562 WeakPolarHBondContact OD1-CB 3.24Å; N560-H562 PolarHBondContact OD1-N 3.04Å; N560-H562 PolarHBondContact OD1-ND1 2.73Å; N560-S563 PolarHBondContact O-N 2.94Å; N560-D564 WeakPolarHBondContact O-CA 3.47Å; N560-D564 PolarHBondContact O-N 2.94Å; N560-T565 PolarHBondContact N-O 3.3Å; N560-T565 PolarHBondContact O-N 3.02Å
561	P	80.4	Confident	87.4	Confident	26 Å²	26	38.1 Å²	38.1	17%	0.169	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	179.8	29.1	-37	0	0	0	113.7	L483 G533 Y559	L483-P561 HydrophobicContact CD2-CG 4.04Å; G533-P561 WeakPolarHBondContact O-CD 3.47Å; G533-P561 WeakPolarHBondContact O-CG 3.45Å; Y559-P561 HydrophobicContact CD1-CB 4.42Å; Y559-P561 VanDerWaalsContact CE1-CA 3.49Å; Y559-P561 HydrophobicContact CE1-CB 3.82Å
562	H	72.4	Confident	87.8	Confident	67 Å²	67	37.7 Å²	37.7	31%	0.31	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-55.3	175.3	-75.9	66.2	0	0	0	114.3	L231 P232 P233 N560	L231-H562 PolarHBondContact O-CE1 3.42Å; L231-H562 PolarHBondContact O-NE2 2.89Å; P232-H562 WeakPolarHBondContact CA-CE1 3.25Å; P233-H562 WeakPolarHBondContact CB-CD2 3.16Å; P233-H562 WeakPolarHBondContact CB-NE2 2.88Å; P233-H562 VanDerWaalsContact CD-CD2 3.47Å; P233-H562 WeakPolarHBondContact CD-CD2 3.45Å; P233-H562 WeakPolarHBondContact CD-CE1 3.31Å; P233-H562 VanDerWaalsContact CD-ND1 3.33Å; P233-H562 WeakPolarHBondContact CD-ND1 3.2Å; P233-H562 WeakPolarHBondContact CD-NE2 3.5Å; P233-H562 HydrophobicContact CG-CB 4.05Å; P233-H562 WeakPolarHBondContact CG-CD2 3.46Å; P233-H562 WeakPolarHBondContact CG-NE2 3.25Å; P233-H562 VanDerWaalsContact N-CE1 3.35Å; N560-H562 PolarHBondContact O-N 3.35Å; N560-H562 VanDerWaalsContact O-N 3.15Å; N560-H562 VanDerWaalsContact OD1-CB 3.23Å; N560-H562 WeakPolarHBondContact OD1-CB 3.24Å; N560-H562 PolarHBondContact OD1-N 3.04Å; N560-H562 PolarHBondContact OD1-ND1 2.73Å
563	S	74.5	Confident	87.9	Confident	58 Å²	58	41.7 Å²	41.7	41%	0.406	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.9	-175.8	50.7	0	0	0	0	110.5	N560 T565	N560-S563 PolarHBondContact O-N 2.94Å; S563-T565 VanDerWaalsContact C-N 3.27Å; S563-T565 WeakPolarHBondContact CB-OG1 3.41Å; S563-T565 WeakPolarHBondContact O-CG2 3.41Å; S563-T565 PolarHBondContact OG-OG1 3.08Å
564	D	83.1	Confident	87.9	Confident	68 Å²	68	42.1 Å²	42.1	36%	0.364	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	50.1	-170.2	-164.9	32.8	0	0	0	109.9	A517 Y559 N560	A517-D564 HydrophobicContact CB-CB 4.45Å; A517-D564 WeakPolarHBondContact CB-O 3.26Å; A517-D564 VanDerWaalsContact CB-OD1 3.29Å; A517-D564 WeakPolarHBondContact CB-OD1 3.5Å; A517-D564 PolarHBondContact N-OD1 3.06Å; A517-D564 PolarHBondContact N-OD2 2.89Å; Y559-D564 VanDerWaalsContact CE2-OD1 3.27Å; Y559-D564 WeakPolarHBondContact CE2-OD1 3.39Å; Y559-D564 PolarHBondContact OH-OD1 2.79Å; N560-D564 WeakPolarHBondContact O-CA 3.47Å; N560-D564 PolarHBondContact O-N 2.94Å
565	T	84.9	Confident	87.9	Confident	66 Å²	66	40.2 Å²	40.2	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149	-177.6	61.4	0	0	0	0	112.4	N560 S563	N560-T565 PolarHBondContact N-O 3.3Å; N560-T565 PolarHBondContact O-N 3.02Å; S563-T565 VanDerWaalsContact C-N 3.27Å; S563-T565 WeakPolarHBondContact CB-OG1 3.41Å; S563-T565 WeakPolarHBondContact O-CG2 3.41Å; S563-T565 PolarHBondContact OG-OG1 3.08Å
566	W	89.3	Confident	87.9	Confident	16 Å²	16	39.9 Å²	39.9	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.2	174	-67.9	88.2	0	0	0	111.9	I490 V503 A517 S518 M519 K520 V537 E557 V558 Y559	I490-W566 HydrophobicContact CD1-CH2 4.31Å; I490-W566 HydrophobicContact CG2-CH2 4.22Å; V503-W566 HydrophobicContact CG2-CZ2 3.86Å; A517-W566 PolarHBondContact O-NE1 3.35Å; S518-W566 PolarHBondContact O-NE1 2.85Å; M519-W566 HydrophobicContact CG-CD2 4.03Å; M519-W566 HydrophobicContact CG-CE3 4.17Å; M519-W566 HydrophobicContact CG-CH2 3.71Å; M519-W566 HydrophobicContact CG-CZ2 3.6Å; M519-W566 HydrophobicContact CG-CZ3 3.99Å; M519-W566 HydrophobicContact SD-CH2 4.21Å; M519-W566 HydrophobicContact SD-CZ3 4.46Å; K520-W566 WeakPolarHBondContact CE-O 3.45Å; K520-W566 PolarHBondContact NZ-O 3.32Å; V537-W566 HydrophobicContact CB-CZ3 4.14Å; V537-W566 HydrophobicContact CG2-CH2 3.5Å; V537-W566 VanDerWaalsContact CG2-CH2 3.5Å; V537-W566 HydrophobicContact CG2-CZ3 3.44Å; V537-W566 VanDerWaalsContact CG2-CZ3 3.44Å; E557-W566 HydrophobicContact CB-CE3 3.7Å; E557-W566 HydrophobicContact CB-CZ3 4.09Å; V558-W566 WeakPolarHBondContact O-CA 3.32Å; Y559-W566 VanDerWaalsContact CB-CH2 3.49Å; Y559-W566 AromaticContact CD2-CD1 3.88Å; Y559-W566 AromaticContact CD2-CD2 3.99Å; Y559-W566 HydrophobicContact CD2-CD2 3.99Å; Y559-W566 AromaticContact CD2-CE2 3.49Å; Y559-W566 VanDerWaalsContact CD2-CE2 3.49Å; Y559-W566 HydrophobicContact CD2-CG 4.23Å; Y559-W566 AromaticContact CD2-CZ2 3.84Å; Y559-W566 HydrophobicContact CD2-CZ2 3.84Å; Y559-W566 AromaticContact CD2-NE1 3.39Å; Y559-W566 AromaticContact CE2-NE1 3.98Å; Y559-W566 HydrophobicContact CG-CD2 4.34Å; Y559-W566 AromaticContact CG-CE2 3.89Å; Y559-W566 HydrophobicContact CG-CH2 4.25Å; Y559-W566 AromaticContact CG-CZ2 3.81Å; Y559-W566 HydrophobicContact CG-CZ2 3.81Å
567	T	89.2	Confident	87.9	Confident	73 Å²	73	39.9 Å²	39.9	45%	0.448	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.5	171.7	55.2	0	0	0	0	109.9	E557 V558	E557-T567 CarbonylContact C-O 3.53Å; E557-T567 WeakPolarHBondContact CA-O 3.48Å; V558-T567 PolarHBondContact N-O 3.26Å; V558-T567 PolarHBondContact O-N 3.19Å; V558-T567 PolarHBondContact O-OG1 2.98Å
568	E	88.7	Confident	87.9	Confident	110 Å²	110	41 Å²	41	51%	0.514	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.8	174.9	-172.3	173.1	-168.7	0	0	108.2
569	I	88.7	Confident	87.9	Confident	31 Å²	31	41.3 Å²	41.3	16%	0.159	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-175.1	178.9	63.9	163.5	0	0	0	110.2	F316 Y536 V556 V558 N571	F316-I569 HydrophobicContact CE1-CD1 3.89Å; F316-I569 HydrophobicContact CE2-CD1 4.18Å; F316-I569 HydrophobicContact CZ-CD1 3.56Å; Y536-I569 HydrophobicContact CD1-CD1 3.92Å; Y536-I569 HydrophobicContact CE1-CD1 3.79Å; V556-I569 HydrophobicContact CB-CD1 4.25Å; V556-I569 HydrophobicContact CB-CG1 3.77Å; V556-I569 HydrophobicContact CG1-CD1 3.67Å; V556-I569 HydrophobicContact CG1-CG1 3.68Å; V556-I569 PolarHBondContact O-N 3.1Å; V558-I569 HydrophobicContact CG2-CB 4.41Å; V558-I569 HydrophobicContact CG2-CD1 3.62Å; V558-I569 HydrophobicContact CG2-CG1 3.86Å; V558-I569 HydrophobicContact CG2-CG2 3.68Å; I569-N571 PolarHBondContact O-N 3.31Å
570	G	83	Confident	88.1	Confident	37 Å²	37	41.5 Å²	41.5	38%	0.381	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-54	131.7	-179.8	0	0	0	0	0	112.8	W323	W323-G570 PolarHBondContact NE1-O 3.31Å
571	N	91.3	Very high	88.6	Confident	70 Å²	70	40.6 Å²	40.6	37%	0.374	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-66.2	150.6	178.2	-66.1	4	0	0	0	111.6	D554 I569	D554-N571 HydrophobicContact CB-CB 4.41Å; D554-N571 WeakPolarHBondContact O-CA 3.42Å; D554-N571 PolarHBondContact OD2-ND2 2.82Å; D554-N571 VanDerWaalsContact OD2-ND2 3.09Å; I569-N571 PolarHBondContact O-N 3.31Å
572	M	92.4	Very high	89.3	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.025	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.3	156.8	165	-68.6	-177.7	-61.8	0	0	110.6	A292 E314 W323 G539 D554 V556 T574 R576	A292-M572 HydrophobicContact CB-SD 4.16Å; E314-M572 WeakPolarHBondContact OE2-CB 3.33Å; W323-M572 HydrophobicContact CD2-CG 4Å; W323-M572 HydrophobicContact CE3-CG 4.19Å; W323-M572 HydrophobicContact CH2-CG 3.8Å; W323-M572 HydrophobicContact CH2-SD 4.2Å; W323-M572 HydrophobicContact CZ2-CG 3.6Å; W323-M572 HydrophobicContact CZ2-SD 4.46Å; W323-M572 HydrophobicContact CZ3-CG 4.09Å; G539-M572 VanDerWaalsContact CA-CE 3.48Å; D554-M572 HydrophobicContact CB-CB 4.47Å; D554-M572 PolarHBondContact O-N 3.02Å; V556-M572 HydrophobicContact CG2-CG 3.88Å; M572-T574 VanDerWaalsContact C-N 3.32Å; M572-R576 HydrophobicContact CE-CG 3.64Å; M572-R576 HydrophobicContact SD-CG 3.97Å
573	I	93.3	Very high	90.2	Very high	99 Å²	99	38 Å²	38	51%	0.508	23%	0.225	S	C	.	.	S	Bend	trans	-69.5	-37.4	176.3	-56.1	169.2	0	0	0	109.6	E314 W323 T325	E314-I573 HydrophobicContact CG-CB 4.49Å; E314-I573 HydrophobicContact CG-CD1 4.42Å; E314-I573 WeakPolarHBondContact OE2-CB 3.18Å; E314-I573 PolarHBondContact OE2-N 2.83Å; W323-I573 HydrophobicContact CB-CD1 4.34Å; W323-I573 HydrophobicContact CB-CG1 4.06Å; T325-I573 WeakPolarHBondContact OG1-CD1 3.49Å
574	T	91.9	Very high	90.9	Very high	39 Å²	39	37.1 Å²	37.1	24%	0.239	22%	0.216	C	C	.	.	S	Bend	trans	-122.2	131	-179.7	-39.1	0	0	0	0	110.5	L310 E314 M572	L310-T574 HydrophobicContact CD1-CG2 4.07Å; L310-T574 HydrophobicContact CD2-CG2 4.13Å; E314-T574 WeakPolarHBondContact OE1-CA 3.39Å; E314-T574 WeakPolarHBondContact OE1-CB 3.37Å; E314-T574 PolarHBondContact OE1-N 3.25Å; E314-T574 PolarHBondContact OE1-OG1 3.17Å; M572-T574 VanDerWaalsContact C-N 3.32Å
575	S	93.3	Very high	91.3	Very high	21 Å²	21	35.6 Å²	35.6	15%	0.147	21%	0.209	C	C	.	.			trans	-67.5	136.4	170.1	67.5	0	0	0	0	110.8	T297 T552 L553	T297-S575 WeakPolarHBondContact CB-O 3.23Å; T297-S575 PolarHBondContact OG1-O 3.06Å; T297-S575 PolarHBondContact OG1-OG 3.22Å; T297-S575 VanDerWaalsContact OG1-OG 3.08Å; T552-S575 VanDerWaalsContact O-CB 3.32Å; T552-S575 WeakPolarHBondContact O-CB 3.41Å; T552-S575 WeakPolarHBondContact OG1-CB 3.47Å; T552-S575 PolarHBondContact OG1-OG 3.45Å; L553-S575 VanDerWaalsContact O-CA 3.24Å; L553-S575 WeakPolarHBondContact O-CA 3.36Å; L553-S575 WeakPolarHBondContact O-CB 3.04Å
576	R	94.5	Very high	91.6	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.198	C	C	.	.			trans	-147	149.2	-173.4	64.2	-176.1	68.4	-143.7	4.7	112.4	A292 G294 Y296 L310 E314 G539 G540 L553 M572	A292-R576 VanDerWaalsContact C-NH1 3.3Å; A292-R576 PolarHBondContact O-NH1 2.76Å; G294-R576 PolarHBondContact O-NH1 2.95Å; G294-R576 VanDerWaalsContact O-NH1 3.09Å; Y296-R576 CarbonylContact O-C 3.54Å; Y296-R576 VanDerWaalsContact O-CA 3.32Å; Y296-R576 WeakPolarHBondContact O-CA 3.26Å; L310-R576 HydrophobicContact CD1-CB 3.83Å; E314-R576 VanDerWaalsContact CG-NH2 3.29Å; E314-R576 IonicContact OE1-CZ 2.79Å; E314-R576 IonicContact OE1-NH2 3Å; E314-R576 PolarHBondContact OE1-NH2 3.18Å; E314-R576 IonicContact OE2-NH2 2.69Å; G539-R576 CarbonylContact C-O 3.6Å; G539-R576 WeakPolarHBondContact CA-O 3.44Å; G540-R576 PolarHBondContact N-O 3.42Å; L553-R576 PolarHBondContact O-N 2.72Å; M572-R576 HydrophobicContact CE-CG 3.64Å; M572-R576 HydrophobicContact SD-CG 3.97Å
577	C	94.2	Very high	91.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-136.5	150.5	171.8	-176.1	0	0	0	0	108.8	G295 Y296 A524 T552 G579	G295-C577 CarbonylContact C-O 3.52Å; G295-C577 WeakPolarHBondContact CA-O 3.43Å; Y296-C577 HydrophobicContact CD1-CB 4.25Å; Y296-C577 WeakPolarHBondContact CD1-O 3.48Å; Y296-C577 HydrophobicContact CE1-CB 3.69Å; Y296-C577 HydrophobicContact CE2-CB 4.09Å; Y296-C577 PolarHBondContact N-O 3.38Å; Y296-C577 PolarHBondContact O-N 2.78Å; Y296-C577 PolarHBondContact OH-SG 3.08Å; A524-C577 PolarHBondContact O-SG 3.41Å; T552-C577 HydrophobicContact CG2-CB 3.7Å; C577-G579 PolarHBondContact O-N 2.97Å; C577-G579 VanDerWaalsContact O-N 3.14Å
578	E	94.4	Very high	91.9	Very high	23 Å²	23	32.8 Å²	32.8	11%	0.107	19%	0.192	C	C	.	.	S	Bend	trans	53.8	33.1	-178.1	-64	166.4	-161.1	0	0	112.9	Y296 G335 Y429 Y477 G525	Y296-E578 HydrophobicContact CD1-CB 4.26Å; Y296-E578 HydrophobicContact CE1-CB 4.21Å; Y296-E578 HydrophobicContact CE1-CG 4.09Å; G335-E578 PolarHBondContact N-O 3.02Å; Y429-E578 HydrophobicContact CE1-CG 4.15Å; Y429-E578 PolarHBondContact OH-OE2 3.48Å; Y477-E578 HydrophobicContact CD1-CG 4.27Å; Y477-E578 WeakPolarHBondContact CE1-OE1 3.21Å; G525-E578 PolarHBondContact O-N 3.2Å
579	G	93	Very high	92.1	Very high	13 Å²	13	27.9 Å²	27.9	13%	0.134	17%	0.171	C	C	.	.			trans	-84	176.4	166	0	0	0	0	0	110.8	V293 C527 C577	V293-G579 WeakPolarHBondContact O-CA 3.46Å; C527-G579 PolarHBondContact SG-O 2.78Å; C577-G579 PolarHBondContact O-N 2.97Å; C577-G579 VanDerWaalsContact O-N 3.14Å
580	G	93.9	Very high	92.3	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	159.7	167.1	0	0	0	0	0	111.8	V293	V293-G580 PolarHBondContact N-O 2.95Å; V293-G580 PolarHBondContact O-N 3.36Å
581	V	94.6	Very high	93	Very high	20 Å²	20	27.1 Å²	27.1	12%	0.121	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.1	173.8	61.9	0	0	0	0	110.6	L290 Y291 C527 V528 V529	L290-V581 HydrophobicContact CB-CG2 4.36Å; Y291-V581 VanDerWaalsContact O-CA 3.25Å; Y291-V581 WeakPolarHBondContact O-CA 3.32Å; C527-V581 HydrophobicContact CB-CB 3.73Å; C527-V581 HydrophobicContact CB-CG1 3.64Å; V528-V581 WeakPolarHBondContact O-CG1 3.23Å; V529-V581 HydrophobicContact CB-CG1 3.84Å; V529-V581 HydrophobicContact CB-CG2 4.2Å; V529-V581 HydrophobicContact CG1-CG1 4.24Å; V529-V581 HydrophobicContact CG1-CG2 3.77Å
582	A	94	Very high	93.1	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.1	175.2	0	0	0	0	0	110.5	L290 Y291 V338 V340 V345	L290-A582 CarbonylContact C-O 3.49Å; L290-A582 VanDerWaalsContact CA-O 3.31Å; L290-A582 WeakPolarHBondContact CA-O 3.36Å; Y291-A582 PolarHBondContact N-O 3.48Å; Y291-A582 PolarHBondContact O-N 2.81Å; V338-A582 HydrophobicContact CG1-CB 3.6Å; V340-A582 HydrophobicContact CG2-CB 3.42Å; V340-A582 VanDerWaalsContact CG2-CB 3.42Å; V345-A582 HydrophobicContact CB-CB 4.39Å; V345-A582 HydrophobicContact CG1-CB 3.56Å; V345-A582 HydrophobicContact CG2-CB 4.03Å
583	V	93.2	Very high	93.1	Very high	34 Å²	34	25.3 Å²	25.3	21%	0.206	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.5	177.1	169.3	0	0	0	0	110.6	K288 Y289 L290 V340 V529 V531	K288-V583 HydrophobicContact CB-CG1 4.22Å; K288-V583 HydrophobicContact CD-CG1 4.49Å; Y289-V583 WeakPolarHBondContact O-CA 3.14Å; L290-V583 HydrophobicContact CD1-CG2 4.27Å; L290-V583 HydrophobicContact CG-CG2 3.86Å; V340-V583 WeakPolarHBondContact CG2-O 3.48Å; V529-V583 HydrophobicContact CB-CG2 4.14Å; V529-V583 HydrophobicContact CG1-CG2 3.75Å; V529-V583 HydrophobicContact CG2-CB 4.21Å; V529-V583 HydrophobicContact CG2-CG2 3.35Å; V531-V583 HydrophobicContact CG1-CG1 4.32Å; V531-V583 HydrophobicContact CG2-CB 4.19Å; V531-V583 HydrophobicContact CG2-CG1 3.86Å; V531-V583 HydrophobicContact CG2-CG2 3.3Å
584	L	87.6	Confident	93.1	Very high	41 Å²	41	18.6 Å²	18.6	22%	0.215	12%	0.118	C	C	.	.			trans	-117.1	0	173.5	-71.3	172.4	0	0	0	111.1	K288 Y289 Y291 V340 G343 V345 P365	K288-L584 CarbonylContact C-O 3.5Å; K288-L584 VanDerWaalsContact CA-O 3.28Å; K288-L584 WeakPolarHBondContact CA-O 3.38Å; K288-L584 WeakPolarHBondContact CD-O 3.31Å; K288-L584 VanDerWaalsContact CD-OXT 3.23Å; K288-L584 WeakPolarHBondContact CD-OXT 3.42Å; K288-L584 PolarHBondContact NZ-OXT 3.39Å; Y289-L584 PolarHBondContact N-O 2.94Å; Y289-L584 PolarHBondContact O-N 2.8Å; Y291-L584 HydrophobicContact CD2-CD1 4.22Å; Y291-L584 HydrophobicContact CD2-CG 4.5Å; Y291-L584 HydrophobicContact CE2-CB 4.06Å; Y291-L584 HydrophobicContact CE2-CD1 3.57Å; Y291-L584 HydrophobicContact CE2-CG 4.09Å; V340-L584 HydrophobicContact CG1-CD2 3.48Å; V340-L584 VanDerWaalsContact CG1-CD2 3.48Å; V340-L584 HydrophobicContact CG1-CG 4.45Å; V340-L584 HydrophobicContact CG2-CD2 4.37Å; G343-L584 VanDerWaalsContact C-CD2 3.47Å; G343-L584 VanDerWaalsContact O-CD2 3.23Å; G343-L584 WeakPolarHBondContact O-CD2 3.23Å; V345-L584 HydrophobicContact CG2-CD1 3.64Å; V345-L584 HydrophobicContact CG2-CG 4.08Å; P365-L584 HydrophobicContact CB-CD1 3.97Å; P365-L584 HydrophobicContact CG-CD1 3.82Å

Retrieved 584 of 584 residues in 2536 ms (Link to these results)

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