A0A0D9RRV1_CHLSB Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth. Could also have a single-stranded nucleic acid-binding activity and could play a role in RNA and/or DNA metabolism. It may also have a role in the development of malignancy and the growth progression of some tumors.

AlphaFold DB , UniProt , Accession A0A0D9RRV1, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene IMPDH, Length 514 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	51.5	Low	58.8	Low	230 Å²	230	133.1 Å²	133.1	100%	1.133	79%	0.791	S	S	*	*				0	25.3	0	-82.5	-152.4	-85.5	0	0	112.9
2	A	54	Low	60.2	Low	70 Å²	70	136.6 Å²	136.6	58%	0.579	78%	0.782	S	S	*	*			trans	-109.7	-18.2	177.1	0	0	0	0	0	113.6	Y4 L5	A2-Y4 PolarHBondContact O-N 3.19Å; A2-L5 PolarHBondContact O-N 3.4Å
3	D	50.3	Low	61.3	Low	140 Å²	140	136 Å²	136	75%	0.749	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	3.1	-176.1	-58	-40.3	0	0	0	115
4	Y	54.3	Low	62.7	Low	208 Å²	208	131.9 Å²	131.9	82%	0.816	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	1.4	178.4	-70.8	-77.2	0	0	0	113.9	A2	A2-Y4 PolarHBondContact O-N 3.19Å
5	L	56.1	Low	64.2	Low	145 Å²	145	131.5 Å²	131.5	76%	0.759	76%	0.757	S	S	*	*	S	Bend	trans	-83.5	-31	-173.8	-75.3	166.6	0	0	0	113.4	A2	A2-L5 PolarHBondContact O-N 3.4Å
6	I	63.6	Low	65.9	Low	173 Å²	173	130.9 Å²	130.9	89%	0.887	75%	0.75	S	S	*	*	S	Bend	trans	-151.6	98	168.5	-53.3	178.8	0	0	0	107.7
7	S	63.2	Low	67.6	Low	99 Å²	99	124.1 Å²	124.1	69%	0.692	72%	0.716	S	S	*	*			trans	-118.6	109.5	175.5	65.4	0	0	0	0	110.4
8	G	62.6	Low	69.3	Low	67 Å²	67	120.5 Å²	120.5	69%	0.691	69%	0.693	S	S	*	*			trans	-140.2	133.1	171.1	0	0	0	0	0	108.4	T10	G8-T10 PolarHBondContact O-N 3.33Å
9	G	60.8	Low	70.8	Confident	62 Å²	62	115.4 Å²	115.4	64%	0.639	66%	0.664	S	S	*	*			trans	-60.2	135.9	179.8	0	0	0	0	0	111.2	S11	G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 VanDerWaalsContact O-N 3.12Å
10	T	65.1	Low	72.1	Confident	155 Å²	155	109.7 Å²	109.7	95%	0.951	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-6.1	-172	51.1	0	0	0	0	114.8	G8	G8-T10 PolarHBondContact O-N 3.33Å
11	S	65.6	Low	73.3	Confident	115 Å²	115	110.3 Å²	110.3	80%	0.804	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-5.5	-175.5	61.2	0	0	0	0	114.8	G9	G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 VanDerWaalsContact O-N 3.12Å
12	Y	75	Confident	75.4	Confident	175 Å²	175	104.1 Å²	104.1	69%	0.686	60%	0.597	S	S	*	*			trans	-93.4	121.1	-179.1	178.2	-107	0	0	0	110.7	P14	Y12-P14 HydrophobicContact CD1-CG 4.1Å; Y12-P14 HydrophobicContact CE1-CB 3.99Å; Y12-P14 HydrophobicContact CE1-CG 3.72Å
13	V	74.9	Confident	77.5	Confident	129 Å²	129	101 Å²	101	78%	0.782	57%	0.57	S	S	*	*			trans	-103	114.9	167.5	-177.5	0	0	0	0	107.1
14	P	80.9	Confident	79.7	Confident	79 Å²	79	94.7 Å²	94.7	51%	0.513	54%	0.536	S	S	.	.			trans	-58.1	138.4	173	-19.2	29.4	0	0	0	110.9	Y12 D16	Y12-P14 HydrophobicContact CD1-CG 4.1Å; Y12-P14 HydrophobicContact CE1-CB 3.99Å; Y12-P14 HydrophobicContact CE1-CG 3.72Å; P14-D16 PolarHBondContact O-N 3.13Å
15	D	85.2	Confident	81.5	Confident	125 Å²	125	89 Å²	89	67%	0.668	52%	0.52	S	S	*	.			trans	-74.5	95.5	169.9	-167.5	25.8	0	0	0	108.5	K489	D15-K489 WeakPolarHBondContact OD1-CE 3.1Å; D15-K489 IonicContact OD1-NZ 2.6Å; D15-K489 PolarHBondContact OD1-NZ 2.98Å; D15-K489 IonicContact OD2-NZ 2.86Å
16	D	92.3	Very high	83	Confident	122 Å²	122	85.4 Å²	85.4	65%	0.652	51%	0.506	S	S	*	.			trans	-116	147.9	-178.6	-171.1	22.4	0	0	0	111	P14	P14-D16 PolarHBondContact O-N 3.13Å
17	G	94.8	Very high	83.9	Confident	16 Å²	16	80.8 Å²	80.8	17%	0.165	50%	0.501	C	S	.	.	S	Bend	trans	79.6	175.7	-172.4	0	0	0	0	0	114.9
18	L	97.2	Very high	85.2	Confident	59 Å²	59	79.7 Å²	79.7	31%	0.309	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-104.8	135.4	-174.3	-58.3	174.6	0	0	0	111.5	Q22 L23 K489 F490	L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.32Å; L18-L23 HydrophobicContact CB-CB 4.43Å; L18-L23 HydrophobicContact CD1-CD1 4.13Å; L18-K489 CarbonylContact O-C 3.43Å; L18-K489 WeakPolarHBondContact O-CA 3.27Å; L18-F490 WeakPolarHBondContact CB-O 3.32Å; L18-F490 PolarHBondContact N-O 3.15Å; L18-F490 PolarHBondContact O-N 3.34Å
19	T	97.8	Very high	86.7	Confident	23 Å²	23	78.7 Å²	78.7	14%	0.141	48%	0.477	C	S	.	.			trans	-66.4	160.1	163.1	63.3	0	0	0	0	110.8	Q21 Q22 L23 K489	T19-Q21 PolarHBondContact O-N 2.77Å; T19-Q22 PolarHBondContact O-N 3.28Å; T19-Q22 VanDerWaalsContact O-N 3.15Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.37Å; T19-Q22 PolarHBondContact OG1-N 2.9Å; T19-Q22 PolarHBondContact OG1-OE1 3.31Å; T19-L23 WeakPolarHBondContact O-CB 3.43Å; T19-L23 PolarHBondContact O-N 2.71Å; T19-K489 HydrophobicContact CG2-CD 4.38Å
20	A	97.1	Very high	88.5	Confident	1 Å²	1	76 Å²	76	1%	0.008	45%	0.448	C	S	.	.	H	α-helix	trans	-57.4	-37.3	174.4	0	0	0	0	0	112.2	L23 F24 Y348 M483 F490	A20-L23 PolarHBondContact O-N 3.46Å; A20-F24 VanDerWaalsContact O-CD2 3.29Å; A20-F24 WeakPolarHBondContact O-CD2 3.26Å; A20-F24 PolarHBondContact O-N 2.98Å; A20-Y348 HydrophobicContact CB-CD2 4.25Å; A20-Y348 HydrophobicContact CB-CE2 3.56Å; A20-M483 HydrophobicContact CB-CG 3.88Å; A20-M483 HydrophobicContact CB-SD 3.75Å; A20-F490 HydrophobicContact CB-CD2 4.27Å; A20-F490 HydrophobicContact CB-CE2 3.78Å; A20-F490 HydrophobicContact CB-CZ 4.36Å
21	Q	96.4	Very high	90	Very high	124 Å²	124	71.2 Å²	71.2	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-64.4	-44.5	177.1	-173.4	176.1	7.2	0	0	111.9	T19 N25 Y348	T19-Q21 PolarHBondContact O-N 2.77Å; Q21-N25 VanDerWaalsContact CG-ND2 3.25Å; Q21-N25 WeakPolarHBondContact CG-ND2 3.43Å; Q21-N25 WeakPolarHBondContact O-CB 3.45Å; Q21-N25 PolarHBondContact O-N 3.23Å; Q21-N25 VanDerWaalsContact O-N 3.15Å; Q21-N25 PolarHBondContact O-ND2 3.26Å; Q21-Y348 WeakPolarHBondContact CA-OH 3.49Å; Q21-Y348 PolarHBondContact N-OH 2.93Å
22	Q	96.7	Very high	91.6	Very high	100 Å²	100	66 Å²	66	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.6	-72.8	160.6	-42.8	0	0	111	L18 T19 F24 N25	L18-Q22 HydrophobicContact CB-CB 4.38Å; L18-Q22 HydrophobicContact CD2-CB 4.32Å; T19-Q22 PolarHBondContact O-N 3.28Å; T19-Q22 VanDerWaalsContact O-N 3.15Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.37Å; T19-Q22 PolarHBondContact OG1-N 2.9Å; T19-Q22 PolarHBondContact OG1-OE1 3.31Å; Q22-F24 PolarHBondContact O-N 3.37Å; Q22-N25 PolarHBondContact O-N 3.11Å
23	L	97.1	Very high	92.7	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.016	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-43.7	-178.9	-178.7	65.7	0	0	0	112.8	L18 T19 A20 C26 L30 F35 F490 K492	L18-L23 HydrophobicContact CB-CB 4.43Å; L18-L23 HydrophobicContact CD1-CD1 4.13Å; T19-L23 WeakPolarHBondContact O-CB 3.43Å; T19-L23 PolarHBondContact O-N 2.71Å; A20-L23 PolarHBondContact O-N 3.46Å; L23-C26 PolarHBondContact O-SG 2.99Å; L23-L30 HydrophobicContact CD1-CD1 3.67Å; L23-L30 HydrophobicContact CD2-CD1 4.26Å; L23-L30 HydrophobicContact CG-CD1 3.68Å; L23-F35 HydrophobicContact CD2-CB 3.92Å; L23-F35 HydrophobicContact CD2-CD1 4.46Å; L23-F35 HydrophobicContact CD2-CD2 4.09Å; L23-F35 HydrophobicContact CD2-CG 3.9Å; L23-F490 HydrophobicContact CD2-CB 3.78Å; L23-F490 HydrophobicContact CD2-CD1 4.49Å; L23-F490 HydrophobicContact CD2-CG 4.19Å; L23-K492 HydrophobicContact CD1-CB 4.05Å
24	F	96.3	Very high	93.8	Very high	8 Å²	8	56 Å²	56	4%	0.035	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	7.9	-175.1	-70.7	-78.5	0	0	0	114.6	A20 Q22 L30 F35 A344 T345 Y348 K349 L379	A20-F24 VanDerWaalsContact O-CD2 3.29Å; A20-F24 WeakPolarHBondContact O-CD2 3.26Å; A20-F24 PolarHBondContact O-N 2.98Å; Q22-F24 PolarHBondContact O-N 3.37Å; F24-L30 HydrophobicContact CD1-CD1 4.35Å; F24-L30 HydrophobicContact CE1-CB 4Å; F24-L30 HydrophobicContact CE1-CD1 4.17Å; F24-F35 HydrophobicContact CZ-CE1 4.31Å; F24-A344 HydrophobicContact CE1-CB 4.29Å; F24-A344 HydrophobicContact CZ-CB 4.28Å; F24-T345 HydrophobicContact CD1-CG2 4.22Å; F24-Y348 HydrophobicContact CB-CD1 3.47Å; F24-Y348 VanDerWaalsContact CB-CD1 3.47Å; F24-Y348 HydrophobicContact CB-CE1 3.53Å; F24-Y348 HydrophobicContact CB-CG 4.43Å; F24-Y348 HydrophobicContact CD1-CD1 4.25Å; F24-Y348 AromaticContact CD2-CD1 3.6Å; F24-Y348 HydrophobicContact CD2-CD1 3.6Å; F24-Y348 HydrophobicContact CD2-CD2 4.2Å; F24-Y348 AromaticContact CD2-CE1 3.97Å; F24-Y348 HydrophobicContact CD2-CE1 3.97Å; F24-Y348 AromaticContact CD2-CG 3.72Å; F24-Y348 HydrophobicContact CD2-CG 3.72Å; F24-Y348 HydrophobicContact CE2-CD1 4.43Å; F24-Y348 HydrophobicContact CE2-CG 4.14Å; F24-Y348 AromaticContact CG-CD1 3.51Å; F24-Y348 HydrophobicContact CG-CD1 3.51Å; F24-Y348 AromaticContact CG-CE1 3.98Å; F24-Y348 HydrophobicContact CG-CE1 3.98Å; F24-Y348 HydrophobicContact CG-CG 4.01Å; F24-K349 WeakPolarHBondContact O-CE 3.26Å; F24-K349 PolarHBondContact O-NZ 3.08Å; F24-K349 VanDerWaalsContact O-NZ 3.1Å; F24-L379 HydrophobicContact CD2-CD2 4.45Å; F24-L379 HydrophobicContact CE2-CD1 4.2Å; F24-L379 HydrophobicContact CE2-CD2 3.39Å; F24-L379 HydrophobicContact CE2-CG 4.44Å; F24-L379 HydrophobicContact CZ-CD1 3.71Å; F24-L379 HydrophobicContact CZ-CD2 3.81Å; F24-L379 HydrophobicContact CZ-CG 4.43Å
25	N	93.7	Very high	94.6	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	4.2	173	-70.8	-10.9	0	0	0	113.2	Q21 Q22 G27 K349	Q21-N25 VanDerWaalsContact CG-ND2 3.25Å; Q21-N25 WeakPolarHBondContact CG-ND2 3.43Å; Q21-N25 WeakPolarHBondContact O-CB 3.45Å; Q21-N25 PolarHBondContact O-N 3.23Å; Q21-N25 VanDerWaalsContact O-N 3.15Å; Q21-N25 PolarHBondContact O-ND2 3.26Å; Q22-N25 PolarHBondContact O-N 3.11Å; N25-G27 PolarHBondContact O-N 3.39Å; N25-K349 PolarHBondContact OD1-NZ 3.43Å
26	C	87.3	Confident	95.2	Very high	70 Å²	70	49.8 Å²	49.8	47%	0.473	30%	0.298	S	S	.	.	S	Bend	trans	-74.4	-4.9	178.4	65.6	0	0	0	0	114.5	L23	L23-C26 PolarHBondContact O-SG 2.99Å
27	G	81.2	Confident	95.5	Very high	75 Å²	75	45.4 Å²	45.4	77%	0.773	27%	0.274	S	S	*	.	S	Bend	trans	95.8	-13.4	178.6	0	0	0	0	0	114.8	N25	N25-G27 PolarHBondContact O-N 3.39Å
28	D	92.3	Very high	95.7	Very high	76 Å²	76	47.1 Å²	47.1	41%	0.406	28%	0.279	S	S	.	.			trans	-81.5	149	178.8	-64.8	-34.7	0	0	0	113.1	L30 K492	D28-L30 HydrophobicContact CB-CD2 4.02Å; D28-L30 HydrophobicContact CB-CG 4.49Å; D28-K492 IonicContact OD2-NZ 2.74Å; D28-K492 PolarHBondContact OD2-NZ 3.01Å
29	G	93.7	Very high	95.7	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	30%	0.296	S	S	.	.			trans	-91	106.8	167.5	0	0	0	0	0	111
30	L	97.8	Very high	95.6	Very high	5 Å²	5	50 Å²	50	3%	0.026	31%	0.309	C	S	.	.			trans	-98.9	145.1	-176.9	-54.1	177.4	0	0	0	112.7	L23 F24 D28 D34 P342 A344 T345	L23-L30 HydrophobicContact CD1-CD1 3.67Å; L23-L30 HydrophobicContact CD2-CD1 4.26Å; L23-L30 HydrophobicContact CG-CD1 3.68Å; F24-L30 HydrophobicContact CD1-CD1 4.35Å; F24-L30 HydrophobicContact CE1-CB 4Å; F24-L30 HydrophobicContact CE1-CD1 4.17Å; D28-L30 HydrophobicContact CB-CD2 4.02Å; D28-L30 HydrophobicContact CB-CG 4.49Å; L30-D34 HydrophobicContact CB-CB 4.31Å; L30-D34 HydrophobicContact CD2-CB 3.96Å; L30-P342 WeakPolarHBondContact O-CB 3.41Å; L30-A344 WeakPolarHBondContact O-CB 3.43Å; L30-A344 PolarHBondContact O-N 3.11Å; L30-T345 PolarHBondContact N-OG1 3.31Å; L30-T345 PolarHBondContact O-N 2.91Å; L30-T345 PolarHBondContact O-OG1 3.47Å; L30-T345 VanDerWaalsContact O-OG1 3.04Å
31	T	97.8	Very high	95.5	Very high	55 Å²	55	59 Å²	59	34%	0.337	34%	0.344	S	S	.	.			trans	-108.2	179.5	169.1	75.2	0	0	0	0	110.9	N33 D34 F35 P342	T31-N33 VanDerWaalsContact C-N 3.25Å; T31-N33 PolarHBondContact O-N 3.24Å; T31-D34 WeakPolarHBondContact CA-OD2 3.43Å; T31-D34 WeakPolarHBondContact CB-OD2 3.45Å; T31-D34 PolarHBondContact N-OD2 3.08Å; T31-D34 PolarHBondContact O-N 2.97Å; T31-D34 PolarHBondContact OG1-OD2 3.05Å; T31-F35 WeakPolarHBondContact O-CD1 3.35Å; T31-F35 WeakPolarHBondContact O-CE1 3.49Å; T31-P342 HydrophobicContact CG2-CB 3.96Å
32	Y	98.2	Very high	95.6	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.02	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.6	-177	-57	-53.7	0	0	0	114.2	Q343 A344 I367 H372 K375 A376	Y32-Q343 HydrophobicContact CE2-CB 4.22Å; Y32-Q343 HydrophobicContact CE2-CG 3.8Å; Y32-Q343 VanDerWaalsContact OH-CG 3.23Å; Y32-Q343 WeakPolarHBondContact OH-CG 3.43Å; Y32-A344 HydrophobicContact CD1-CB 3.82Å; Y32-A344 HydrophobicContact CE1-CB 4.01Å; Y32-I367 HydrophobicContact CE2-CG1 4.07Å; Y32-H372 HydrophobicContact CD2-CB 3.97Å; Y32-H372 HydrophobicContact CG-CB 4.22Å; Y32-K375 HydrophobicContact CD1-CB 4.12Å; Y32-K375 WeakPolarHBondContact O-CD 3.39Å; Y32-K375 WeakPolarHBondContact O-CE 3.49Å; Y32-K375 PolarHBondContact O-NZ 3.36Å; Y32-A376 HydrophobicContact CE1-CB 3.77Å
33	N	97.9	Very high	95.6	Very high	59 Å²	59	56.3 Å²	56.3	32%	0.316	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.8	-179.5	-77	-25.7	0	0	0	113.3	T31 F35 H372 R493 Q498	T31-N33 VanDerWaalsContact C-N 3.25Å; T31-N33 PolarHBondContact O-N 3.24Å; N33-F35 VanDerWaalsContact C-N 3.29Å; N33-F35 PolarHBondContact O-N 3.36Å; N33-H372 PolarHBondContact OD1-NE2 2.88Å; N33-R493 WeakPolarHBondContact O-CD 3.32Å; N33-R493 PolarHBondContact O-NH1 3Å; N33-Q498 PolarHBondContact O-NE2 2.69Å
34	D	98.1	Very high	95.7	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.193	34%	0.338	C	S	.	.	S	Bend	trans	-82.7	-2.9	-170.1	-57.2	-44.9	0	0	0	114.1	L30 T31 K492 R493 Q498	L30-D34 HydrophobicContact CB-CB 4.31Å; L30-D34 HydrophobicContact CD2-CB 3.96Å; T31-D34 WeakPolarHBondContact CA-OD2 3.43Å; T31-D34 WeakPolarHBondContact CB-OD2 3.45Å; T31-D34 PolarHBondContact N-OD2 3.08Å; T31-D34 PolarHBondContact O-N 2.97Å; T31-D34 PolarHBondContact OG1-OD2 3.05Å; D34-K492 WeakPolarHBondContact O-CG 3.21Å; D34-R493 PolarHBondContact O-N 2.89Å; D34-Q498 PolarHBondContact OD1-NE2 3.31Å
35	F	98.3	Very high	95.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164.8	178.7	70.3	-84.4	0	0	0	112.2	L23 F24 T31 N33 A344 K375 L379 F490 E491	L23-F35 HydrophobicContact CD2-CB 3.92Å; L23-F35 HydrophobicContact CD2-CD1 4.46Å; L23-F35 HydrophobicContact CD2-CD2 4.09Å; L23-F35 HydrophobicContact CD2-CG 3.9Å; F24-F35 HydrophobicContact CZ-CE1 4.31Å; T31-F35 WeakPolarHBondContact O-CD1 3.35Å; T31-F35 WeakPolarHBondContact O-CE1 3.49Å; N33-F35 VanDerWaalsContact C-N 3.29Å; N33-F35 PolarHBondContact O-N 3.36Å; F35-A344 HydrophobicContact CE1-CB 3.78Å; F35-A344 HydrophobicContact CZ-CB 4.45Å; F35-K375 HydrophobicContact CE2-CB 4.31Å; F35-K375 HydrophobicContact CE2-CD 4.11Å; F35-K375 HydrophobicContact CE2-CG 4.06Å; F35-K375 HydrophobicContact CZ-CB 3.96Å; F35-K375 HydrophobicContact CZ-CD 4.03Å; F35-K375 HydrophobicContact CZ-CG 4.12Å; F35-K375 WeakPolarHBondContact O-CE 3.28Å; F35-K375 PolarHBondContact O-NZ 3.04Å; F35-L379 HydrophobicContact CE1-CD1 4.1Å; F35-L379 HydrophobicContact CE2-CD1 4.49Å; F35-L379 HydrophobicContact CE2-CD2 4.48Å; F35-L379 HydrophobicContact CZ-CD1 3.58Å; F35-L379 HydrophobicContact CZ-CD2 4.31Å; F35-L379 HydrophobicContact CZ-CG 4.09Å; F35-F490 AromaticContact CD2-CD1 3.75Å; F35-F490 HydrophobicContact CD2-CD1 3.75Å; F35-F490 HydrophobicContact CD2-CE1 4.49Å; F35-F490 AromaticContact CE2-CD1 3.78Å; F35-F490 HydrophobicContact CE2-CD1 3.78Å; F35-F490 HydrophobicContact CE2-CE1 4.07Å; F35-E491 CarbonylContact C-O 3.58Å; F35-E491 WeakPolarHBondContact CA-O 3.32Å; F35-E491 VanDerWaalsContact CB-O 3.28Å; F35-E491 WeakPolarHBondContact CB-O 3.48Å
36	L	98.3	Very high	95.9	Very high	74 Å²	74	55.6 Å²	55.6	39%	0.387	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	162	169.1	-64.5	177.2	0	0	0	110.6	F490 E491 R493	L36-F490 WeakPolarHBondContact O-CA 3.3Å; L36-F490 WeakPolarHBondContact O-CB 3.17Å; L36-E491 PolarHBondContact N-O 2.91Å; L36-E491 PolarHBondContact O-N 2.9Å; L36-R493 HydrophobicContact CD1-CG 4.37Å; L36-R493 HydrophobicContact CG-CG 3.91Å
37	I	98.4	Very high	96.3	Very high	30 Å²	30	58 Å²	58	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.5	166.1	-55.2	170.8	0	0	0	105.9	K375 A378 I471 L488 F490	I37-K375 HydrophobicContact CD1-CG 4.12Å; I37-K375 HydrophobicContact CG1-CG 4.4Å; I37-A378 HydrophobicContact CD1-CB 3.53Å; I37-I471 HydrophobicContact CD1-CD1 3.92Å; I37-I471 HydrophobicContact CG2-CD1 3.95Å; I37-I471 HydrophobicContact CG2-CG1 3.79Å; I37-L488 HydrophobicContact CG2-CD1 3.57Å; I37-L488 HydrophobicContact CG2-CD2 4.11Å; I37-L488 HydrophobicContact CG2-CG 4.01Å; I37-F490 HydrophobicContact CG1-CD1 3.98Å; I37-F490 HydrophobicContact CG1-CE1 3.83Å
38	L	98.2	Very high	97.1	Very high	51 Å²	51	59.9 Å²	59.9	27%	0.267	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-78.9	143.8	177	-62.6	-173.6	0	0	0	110.3	K489 E491	L38-K489 HydrophobicContact CB-CB 4.21Å; L38-K489 HydrophobicContact CD1-CB 3.8Å; L38-K489 HydrophobicContact CG-CB 4.26Å; L38-K489 PolarHBondContact N-O 2.93Å; L38-E491 HydrophobicContact CD2-CB 4.01Å
39	P	97.7	Very high	97.4	Very high	104 Å²	104	56.5 Å²	56.5	68%	0.675	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-70.3	158.5	-179.6	30.4	-35.5	0	0	0	112	D470	P39-D470 VanDerWaalsContact CA-O 3.3Å; P39-D470 WeakPolarHBondContact CA-O 3.22Å; P39-D470 WeakPolarHBondContact CB-O 3.4Å
40	G	95.2	Very high	97.6	Very high	39 Å²	39	58.2 Å²	58.2	40%	0.402	31%	0.313	S	S	.	.			trans	-118.4	-167.2	179.4	0	0	0	0	0	113.7	D470 I471	G40-D470 PolarHBondContact N-O 3.4Å; G40-I471 WeakPolarHBondContact CA-O 3.29Å; G40-I471 PolarHBondContact N-O 3.32Å
41	Y	95.6	Very high	97.6	Very high	190 Å²	190	58.3 Å²	58.3	75%	0.745	31%	0.314	S	S	*	.			trans	-83.7	139.7	172.6	173.7	-103.1	0	0	0	111.2	D43 G472	Y41-D43 HydrophobicContact CE1-CB 3.82Å; Y41-G472 WeakPolarHBondContact O-CA 3.46Å
42	I	97.9	Very high	97.6	Very high	66 Å²	66	57.2 Å²	57.2	34%	0.338	31%	0.307	S	S	.	.			trans	-127.3	122.2	-172.7	-47.2	177.5	0	0	0	110	F44 Q469	I42-F44 HydrophobicContact CG2-CD1 4.28Å; I42-F44 HydrophobicContact CG2-CE1 4.28Å; I42-F44 WeakPolarHBondContact CG2-O 3.45Å; I42-Q469 HydrophobicContact CD1-CG 4.43Å; I42-Q469 WeakPolarHBondContact CD1-O 3.41Å; I42-Q469 VanDerWaalsContact CG1-O 3.22Å; I42-Q469 WeakPolarHBondContact CG1-O 3.45Å; I42-Q469 HydrophobicContact CG2-CG 3.69Å
43	D	97.5	Very high	97.6	Very high	101 Å²	101	57.1 Å²	57.1	54%	0.54	31%	0.307	S	S	.	.			trans	-124.5	18.9	175.3	74.8	-9.6	0	0	0	113.3	Y41 K474	Y41-D43 HydrophobicContact CE1-CB 3.82Å; D43-K474 WeakPolarHBondContact OD1-CE 3.38Å; D43-K474 IonicContact OD1-NZ 3.05Å; D43-K474 PolarHBondContact OD1-NZ 2.8Å; D43-K474 IonicContact OD2-NZ 2.88Å
44	F	98.4	Very high	97.6	Very high	13 Å²	13	55.9 Å²	55.9	6%	0.057	31%	0.305	C	S	.	.	S	Bend	trans	-149.1	170.2	-171.8	62.7	-82.9	0	0	0	112.5	I42 V49 Q469 A473 K474	I42-F44 HydrophobicContact CG2-CD1 4.28Å; I42-F44 HydrophobicContact CG2-CE1 4.28Å; I42-F44 WeakPolarHBondContact CG2-O 3.45Å; F44-V49 HydrophobicContact CD2-CG2 4.21Å; F44-V49 HydrophobicContact CE2-CG2 3.58Å; F44-Q469 HydrophobicContact CD2-CG 4.35Å; F44-Q469 HydrophobicContact CE2-CB 4.05Å; F44-Q469 HydrophobicContact CE2-CG 3.91Å; F44-Q469 HydrophobicContact CZ-CG 4.37Å; F44-Q469 PolarHBondContact O-NE2 2.97Å; F44-A473 VanDerWaalsContact CZ-C 3.44Å; F44-A473 WeakPolarHBondContact CZ-O 3.44Å; F44-K474 HydrophobicContact CB-CD 4.44Å; F44-K474 HydrophobicContact CD1-CD 4.13Å; F44-K474 HydrophobicContact CD1-CG 3.67Å; F44-K474 HydrophobicContact CD2-CG 3.95Å; F44-K474 HydrophobicContact CE1-CG 3.74Å; F44-K474 HydrophobicContact CE2-CG 4.04Å; F44-K474 HydrophobicContact CG-CD 4.19Å; F44-K474 HydrophobicContact CG-CG 3.78Å; F44-K474 HydrophobicContact CZ-CG 3.94Å
45	T	97.8	Very high	97.7	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	30%	0.295	S	S	.	.			trans	-100.4	152.1	178.3	56.6	0	0	0	0	112.1	D47 Q48	T45-D47 VanDerWaalsContact C-N 3.28Å; T45-D47 WeakPolarHBondContact CB-OD1 3.44Å; T45-D47 PolarHBondContact O-N 3.42Å; T45-D47 PolarHBondContact OG1-OD1 3.39Å; T45-Q48 WeakPolarHBondContact O-CB 3.43Å; T45-Q48 PolarHBondContact O-N 2.89Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-NE2 3.49Å
46	A	97.2	Very high	97.7	Very high	10 Å²	10	54.2 Å²	54.2	8%	0.083	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-55.1	-38	-176	0	0	0	0	0	114.1	Q48 V49 Q465 Q469	A46-Q48 PolarHBondContact O-N 3.23Å; A46-V49 VanDerWaalsContact O-CB 3.29Å; A46-V49 WeakPolarHBondContact O-CB 3.33Å; A46-V49 WeakPolarHBondContact O-CG2 3.43Å; A46-V49 PolarHBondContact O-N 3.41Å; A46-Q465 HydrophobicContact CB-CB 4.3Å; A46-Q465 WeakPolarHBondContact O-CB 3.44Å; A46-Q469 HydrophobicContact CB-CB 4.33Å
47	D	95.4	Very high	97.7	Very high	120 Å²	120	55.8 Å²	55.8	64%	0.642	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.4	-20	-179.9	63.5	-54.3	0	0	0	113.5	T45 V49	T45-D47 VanDerWaalsContact C-N 3.28Å; T45-D47 WeakPolarHBondContact CB-OD1 3.44Å; T45-D47 PolarHBondContact O-N 3.42Å; T45-D47 PolarHBondContact OG1-OD1 3.39Å; D47-V49 VanDerWaalsContact C-N 3.27Å
48	Q	97.1	Very high	97.6	Very high	115 Å²	115	61.2 Å²	61.2	54%	0.537	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-78.8	-9.3	174.5	-60.5	178.2	34.8	0	0	113.1	T45 A46 D50	T45-Q48 WeakPolarHBondContact O-CB 3.43Å; T45-Q48 PolarHBondContact O-N 2.89Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.19Å; T45-Q48 PolarHBondContact OG1-NE2 3.49Å; A46-Q48 PolarHBondContact O-N 3.23Å; Q48-D50 PolarHBondContact O-N 3.15Å
49	V	98.4	Very high	97.7	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	31%	0.314	C	S	.	.			trans	-73.6	121.7	-179.6	178.3	0	0	0	0	110.7	F44 A46 D47 L51 Q465 C468 K474	F44-V49 HydrophobicContact CD2-CG2 4.21Å; F44-V49 HydrophobicContact CE2-CG2 3.58Å; A46-V49 VanDerWaalsContact O-CB 3.29Å; A46-V49 WeakPolarHBondContact O-CB 3.33Å; A46-V49 WeakPolarHBondContact O-CG2 3.43Å; A46-V49 PolarHBondContact O-N 3.41Å; D47-V49 VanDerWaalsContact C-N 3.27Å; V49-L51 HydrophobicContact CG1-CD2 3.83Å; V49-Q465 HydrophobicContact CB-CB 4.24Å; V49-Q465 HydrophobicContact CB-CG 4.11Å; V49-Q465 HydrophobicContact CG1-CG 4.46Å; V49-Q465 PolarHBondContact O-NE2 3.25Å; V49-Q465 VanDerWaalsContact O-NE2 3.08Å; V49-C468 HydrophobicContact CG1-CB 3.57Å; V49-C468 HydrophobicContact CG2-CB 4.18Å; V49-K474 WeakPolarHBondContact CA-O 3.19Å
50	D	98.2	Very high	97.7	Very high	82 Å²	82	58.7 Å²	58.7	44%	0.439	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-83.6	118.6	173.5	-176.3	18.5	0	0	0	112	Q48 T52 K474 S475 L476	Q48-D50 PolarHBondContact O-N 3.15Å; D50-T52 WeakPolarHBondContact OD1-CB 3.33Å; D50-T52 PolarHBondContact OD1-N 3.39Å; D50-T52 PolarHBondContact OD1-OG1 3.34Å; D50-T52 PolarHBondContact OD2-OG1 3Å; D50-K474 PolarHBondContact N-O 3.36Å; D50-S475 VanDerWaalsContact O-CA 3.26Å; D50-S475 WeakPolarHBondContact O-CA 3.48Å; D50-L476 PolarHBondContact O-N 3.05Å
51	L	98.4	Very high	97.8	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	29%	0.287	C	S	.	.			trans	-95.4	6	176.9	-58.5	-167.2	0	0	0	113.8	V49 S53 K62 I461 I464 Q465 L476	V49-L51 HydrophobicContact CG1-CD2 3.83Å; L51-S53 PolarHBondContact O-N 3.2Å; L51-S53 PolarHBondContact O-OG 3.27Å; L51-K62 CarbonylContact C-O 3.53Å; L51-I461 HydrophobicContact CD1-CG2 3.94Å; L51-I464 HydrophobicContact CD1-CB 4.1Å; L51-I464 HydrophobicContact CD1-CG2 4.04Å; L51-I464 HydrophobicContact CD2-CB 4.49Å; L51-I464 HydrophobicContact CD2-CG2 3.69Å; L51-Q465 HydrophobicContact CD1-CG 3.92Å; L51-Q465 HydrophobicContact CD2-CG 4.11Å; L51-Q465 HydrophobicContact CG-CG 3.94Å; L51-L476 HydrophobicContact CB-CD1 4.22Å; L51-L476 HydrophobicContact CD2-CD1 4.08Å; L51-L476 HydrophobicContact CD2-CD2 4.41Å; L51-L476 HydrophobicContact CD2-CG 4Å
52	T	98.3	Very high	97.9	Very high	32 Å²	32	53 Å²	53	20%	0.196	27%	0.274	C	S	.	.			trans	-52.8	125.4	178.5	-62	0	0	0	0	110.6	D50 T60 L61	D50-T52 WeakPolarHBondContact OD1-CB 3.33Å; D50-T52 PolarHBondContact OD1-N 3.39Å; D50-T52 PolarHBondContact OD1-OG1 3.34Å; D50-T52 PolarHBondContact OD2-OG1 3Å; T52-T60 HydrophobicContact CG2-CG2 3.33Å; T52-L61 WeakPolarHBondContact CA-O 3.44Å
53	S	97.8	Very high	97.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	136.8	-168.6	-67.7	0	0	0	0	112.3	L51 L55 L61 S382 L476	L51-S53 PolarHBondContact O-N 3.2Å; L51-S53 PolarHBondContact O-OG 3.27Å; S53-L55 PolarHBondContact O-N 3.22Å; S53-L61 PolarHBondContact N-O 3.2Å; S53-L61 PolarHBondContact O-N 3.18Å; S53-S382 VanDerWaalsContact CB-O 3.27Å; S53-S382 WeakPolarHBondContact CB-O 3.47Å; S53-S382 PolarHBondContact OG-O 2.61Å; S53-L476 VanDerWaalsContact OG-CD1 3.23Å; S53-L476 WeakPolarHBondContact OG-CD1 3.4Å
54	A	98.2	Very high	97.9	Very high	33 Å²	33	45.1 Å²	45.1	27%	0.273	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.9	177.5	0	0	0	0	0	111	P360 S382	A54-P360 HydrophobicContact CB-CB 4.4Å; A54-P360 HydrophobicContact CB-CG 3.83Å; A54-S382 WeakPolarHBondContact O-CB 3.45Å
55	L	98.7	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-83.1	-42.9	169.5	178.6	70.1	0	0	0	110.7	S53 I59 L61 V66 I88 F90 V270 I300 A320 I362 T383	S53-L55 PolarHBondContact O-N 3.22Å; L55-I59 HydrophobicContact CB-CB 4.45Å; L55-I59 HydrophobicContact CB-CG2 4.14Å; L55-I59 HydrophobicContact CD2-CG2 3.99Å; L55-I59 PolarHBondContact N-O 2.87Å; L55-L61 HydrophobicContact CB-CD1 4.05Å; L55-L61 HydrophobicContact CB-CG 4.03Å; L55-L61 HydrophobicContact CD1-CD1 4.25Å; L55-L61 HydrophobicContact CD2-CD1 4.39Å; L55-L61 HydrophobicContact CG-CD1 4.47Å; L55-V66 HydrophobicContact CD1-CG2 3.95Å; L55-I88 HydrophobicContact CD1-CG2 4.31Å; L55-I88 HydrophobicContact CD2-CD1 3.83Å; L55-I88 HydrophobicContact CD2-CG2 3.89Å; L55-F90 HydrophobicContact CD2-CZ 4.37Å; L55-V270 HydrophobicContact CD2-CG1 4.13Å; L55-I300 HydrophobicContact CD1-CD1 4.47Å; L55-I300 HydrophobicContact CG-CD1 4.49Å; L55-A320 WeakPolarHBondContact O-CB 3.44Å; L55-I362 HydrophobicContact CD1-CD1 3.64Å; L55-I362 HydrophobicContact CD1-CG1 4.4Å; L55-T383 HydrophobicContact CD1-CG2 4.45Å
56	T	98.8	Very high	98	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.211	C	C	.	.	S	Bend	trans	-136.5	177.5	176.8	78.1	0	0	0	0	109.3	K58 I59 V270 Q298 I300 D319 A320	T56-K58 PolarHBondContact O-N 3.03Å; T56-K58 VanDerWaalsContact O-N 3.09Å; T56-K58 PolarHBondContact OG1-N 3.09Å; T56-I59 HydrophobicContact CG2-CB 4.45Å; T56-I59 PolarHBondContact N-O 3.28Å; T56-I59 VanDerWaalsContact N-O 3.14Å; T56-I59 WeakPolarHBondContact OG1-CB 3.35Å; T56-I59 PolarHBondContact OG1-N 3.32Å; T56-V270 HydrophobicContact CG2-CG2 3.93Å; T56-Q298 HydrophobicContact CG2-CB 4.04Å; T56-Q298 PolarHBondContact OG1-OE1 3.35Å; T56-I300 HydrophobicContact CG2-CD1 4.48Å; T56-I300 HydrophobicContact CG2-CG1 4.17Å; T56-D319 WeakPolarHBondContact CA-O 3.35Å; T56-A320 HydrophobicContact CG2-CB 4.19Å
57	K	97.7	Very high	98	Very high	107 Å²	107	41 Å²	41	47%	0.465	21%	0.207	S	C	.	.	S	Bend	trans	-51.9	-30.4	173.9	-73.7	-177.6	-178	178.2	0	114.1	D319 V359	K57-D319 PolarHBondContact N-O 2.81Å; K57-V359 VanDerWaalsContact CE-CG2 3.44Å
58	K	98.1	Very high	98.1	Very high	145 Å²	145	35.4 Å²	35.4	63%	0.63	18%	0.178	S	C	*	.	S	Bend	trans	-115.1	-24.2	-177.6	-61.3	-174.9	179.1	177.2	0	114.3	T56	T56-K58 PolarHBondContact O-N 3.03Å; T56-K58 VanDerWaalsContact O-N 3.09Å; T56-K58 PolarHBondContact OG1-N 3.09Å
59	I	98.4	Very high	98.2	Very high	21 Å²	21	30 Å²	30	11%	0.108	15%	0.153	C	C	.	.			trans	-97	124.4	-177.7	-64.2	170.5	0	0	0	109.7	L55 T56 L61 L245 D269 V270 Q298	L55-I59 HydrophobicContact CB-CB 4.45Å; L55-I59 HydrophobicContact CB-CG2 4.14Å; L55-I59 HydrophobicContact CD2-CG2 3.99Å; L55-I59 PolarHBondContact N-O 2.87Å; T56-I59 HydrophobicContact CG2-CB 4.45Å; T56-I59 PolarHBondContact N-O 3.28Å; T56-I59 VanDerWaalsContact N-O 3.14Å; T56-I59 WeakPolarHBondContact OG1-CB 3.35Å; T56-I59 PolarHBondContact OG1-N 3.32Å; I59-L61 HydrophobicContact CG2-CD2 4.32Å; I59-L245 HydrophobicContact CG2-CD1 3.74Å; I59-D269 HydrophobicContact CD1-CB 4.31Å; I59-V270 HydrophobicContact CD1-CB 3.97Å; I59-V270 HydrophobicContact CD1-CG1 4.44Å; I59-Q298 HydrophobicContact CD1-CB 3.95Å; I59-Q298 HydrophobicContact CD1-CG 3.69Å; I59-Q298 HydrophobicContact CG1-CG 4.01Å
60	T	98.3	Very high	98	Very high	81 Å²	81	30.5 Å²	30.5	50%	0.497	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.8	175.4	-60.3	0	0	0	0	109.6	T52	T52-T60 HydrophobicContact CG2-CG2 3.33Å
61	L	98.4	Very high	97.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	154.8	177.3	-56.2	179.7	0	0	0	109.9	T52 S53 L55 I59 T63 V66 I88 L245 T383	T52-L61 WeakPolarHBondContact CA-O 3.44Å; S53-L61 PolarHBondContact N-O 3.2Å; S53-L61 PolarHBondContact O-N 3.18Å; L55-L61 HydrophobicContact CB-CD1 4.05Å; L55-L61 HydrophobicContact CB-CG 4.03Å; L55-L61 HydrophobicContact CD1-CD1 4.25Å; L55-L61 HydrophobicContact CD2-CD1 4.39Å; L55-L61 HydrophobicContact CG-CD1 4.47Å; I59-L61 HydrophobicContact CG2-CD2 4.32Å; L61-T63 VanDerWaalsContact C-N 3.34Å; L61-T63 VanDerWaalsContact CB-O 3.25Å; L61-T63 WeakPolarHBondContact CB-O 3.29Å; L61-V66 HydrophobicContact CD1-CG2 4.32Å; L61-I88 HydrophobicContact CD1-CB 4.25Å; L61-I88 HydrophobicContact CD1-CG2 3.76Å; L61-I88 HydrophobicContact CD2-CB 4.14Å; L61-I88 HydrophobicContact CD2-CG2 4.42Å; L61-L245 HydrophobicContact CD2-CD1 3.97Å; L61-T383 HydrophobicContact CD1-CG2 4.39Å
62	K	96.6	Very high	97.5	Very high	107 Å²	107	27.9 Å²	27.9	47%	0.465	14%	0.142	S	C	.	.	S	Bend	trans	-79.9	-21.8	173.9	-67.9	-56.6	-172.7	179.3	0	112.7	L51 G86 L235	L51-K62 CarbonylContact C-O 3.53Å; K62-G86 PolarHBondContact N-O 3.02Å; K62-L235 HydrophobicContact CB-CB 4.24Å; K62-L235 HydrophobicContact CB-CD2 4.42Å; K62-L235 WeakPolarHBondContact CB-O 3.28Å; K62-L235 WeakPolarHBondContact CG-O 3.45Å
63	T	97.8	Very high	97.4	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	13%	0.132	C	C	.	.	S	Bend	trans	-133.1	146.5	174.6	72.6	0	0	0	0	109.5	L61 L65 G86 G87 L235 I461	L61-T63 VanDerWaalsContact C-N 3.34Å; L61-T63 VanDerWaalsContact CB-O 3.25Å; L61-T63 WeakPolarHBondContact CB-O 3.29Å; T63-L65 PolarHBondContact O-N 3.29Å; T63-G86 PolarHBondContact N-O 2.73Å; T63-G86 PolarHBondContact OG1-O 2.94Å; T63-G87 PolarHBondContact OG1-N 2.98Å; T63-L235 HydrophobicContact CG2-CD1 4.5Å; T63-I461 HydrophobicContact CG2-CD1 3.62Å; T63-I461 HydrophobicContact CG2-CG1 3.84Å
64	P	98.3	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.			trans	-81	28.2	-174.5	35.1	-39.8	0	0	0	112.8	L377 T383 V384 I464 L476	P64-L377 HydrophobicContact CB-CD1 4.1Å; P64-L377 HydrophobicContact CB-CD2 3.77Å; P64-L377 HydrophobicContact CG-CD1 3.64Å; P64-L377 HydrophobicContact CG-CD2 4.27Å; P64-T383 HydrophobicContact CB-CG2 4.41Å; P64-T383 WeakPolarHBondContact O-CA 3.22Å; P64-T383 WeakPolarHBondContact O-CB 3.39Å; P64-V384 WeakPolarHBondContact O-CG2 3.22Å; P64-V384 PolarHBondContact O-N 3.27Å; P64-I464 HydrophobicContact CG-CD1 4.35Å; P64-L476 HydrophobicContact CB-CD1 4.13Å; P64-L476 HydrophobicContact CG-CD1 3.82Å
65	L	98.6	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.9	-167.1	-57.8	179.8	0	0	0	111.1	T63 M82 G87 I88 I373 V384 M386 V457 L460 I461 I464	T63-L65 PolarHBondContact O-N 3.29Å; L65-M82 HydrophobicContact CB-CE 3.85Å; L65-M82 WeakPolarHBondContact O-CE 3.5Å; L65-G87 WeakPolarHBondContact O-CA 3.45Å; L65-I88 PolarHBondContact O-N 3.08Å; L65-I373 HydrophobicContact CD2-CD1 4.19Å; L65-I373 HydrophobicContact CD2-CG2 4.39Å; L65-V384 HydrophobicContact CD2-CG2 3.8Å; L65-M386 HydrophobicContact CB-CE 3.78Å; L65-M386 HydrophobicContact CD2-CE 3.72Å; L65-M386 HydrophobicContact CD2-SD 4.18Å; L65-M386 HydrophobicContact CG-CE 4.2Å; L65-V457 HydrophobicContact CD1-CG1 3.81Å; L65-L460 HydrophobicContact CD1-CB 4.13Å; L65-L460 HydrophobicContact CD1-CD1 4.47Å; L65-I461 HydrophobicContact CD1-CG1 4.12Å; L65-I464 HydrophobicContact CD2-CD1 3.96Å
66	V	98.6	Very high	97.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.5	-176.2	-176	0	0	0	0	110.2	L55 L61 I88 F90 V384 M385 M386	L55-V66 HydrophobicContact CD1-CG2 3.95Å; L61-V66 HydrophobicContact CD1-CG2 4.32Å; V66-I88 WeakPolarHBondContact CA-O 3.48Å; V66-I88 HydrophobicContact CB-CG2 4.39Å; V66-I88 HydrophobicContact CG1-CG2 3.96Å; V66-I88 HydrophobicContact CG2-CG2 3.97Å; V66-F90 HydrophobicContact CG1-CD2 3.4Å; V66-F90 HydrophobicContact CG1-CE2 3.35Å; V66-V384 WeakPolarHBondContact CB-O 3.43Å; V66-V384 PolarHBondContact N-O 3.15Å; V66-M385 HydrophobicContact CB-CB 4.39Å; V66-M385 HydrophobicContact CG1-CE 3.66Å; V66-M385 HydrophobicContact CG1-CG 4.4Å; V66-M385 CarbonylContact O-C 3.41Å; V66-M385 WeakPolarHBondContact O-CA 3.06Å; V66-M386 PolarHBondContact O-N 2.76Å
67	S	98.6	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.6	172.8	76.2	0	0	0	0	112.1	T74 I88 G89	S67-T74 VanDerWaalsContact CB-OG1 3.27Å; S67-T74 WeakPolarHBondContact CB-OG1 3.46Å; S67-T74 VanDerWaalsContact OG-CG2 3.23Å; S67-T74 WeakPolarHBondContact OG-CG2 3.3Å; S67-T74 PolarHBondContact OG-OG1 2.92Å; S67-I88 PolarHBondContact N-O 2.92Å; S67-I88 VanDerWaalsContact N-O 3.09Å; S67-G89 WeakPolarHBondContact OG-CA 3.47Å
68	S	98.1	Very high	97.3	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.021	13%	0.13	C	C	.	.			trans	-70.4	143	-177.2	-175.8	0	0	0	0	112.7	M70 T74 M386	S68-M70 PolarHBondContact O-N 3.45Å; S68-M70 WeakPolarHBondContact OG-CG 3.31Å; S68-M70 PolarHBondContact OG-SD 2.9Å; S68-M70 VanDerWaalsContact OG-SD 3.36Å; S68-T74 WeakPolarHBondContact O-CB 3.3Å; S68-T74 PolarHBondContact O-OG1 3.01Å; S68-M386 PolarHBondContact N-O 3.32Å; S68-M386 VanDerWaalsContact N-O 3.08Å
69	P	97.4	Very high	97.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.1	C	C	.	.	S	Bend	trans	-75.3	71.1	176	31.9	-35.9	0	0	0	112.5	F90 A249 V272 M385	P69-F90 VanDerWaalsContact CA-O 3.27Å; P69-F90 WeakPolarHBondContact CA-O 3.26Å; P69-F90 HydrophobicContact CB-CB 3.91Å; P69-F90 HydrophobicContact CG-CB 4.37Å; P69-A249 HydrophobicContact CB-CB 3.51Å; P69-A249 HydrophobicContact CG-CB 4.04Å; P69-V272 HydrophobicContact CG-CG1 4.25Å; P69-M385 VanDerWaalsContact CD-SD 3.59Å
70	M	95.2	Very high	97.3	Very high	15 Å²	15	17.5 Å²	17.5	7%	0.074	10%	0.1	C	C	.	.			trans	-127.2	144.2	179.4	-63.9	169.2	61.3	0	0	110.5	S68 T72 V73 T74 I330 Y411 R412 M414	S68-M70 PolarHBondContact O-N 3.45Å; S68-M70 WeakPolarHBondContact OG-CG 3.31Å; S68-M70 PolarHBondContact OG-SD 2.9Å; S68-M70 VanDerWaalsContact OG-SD 3.36Å; M70-T72 PolarHBondContact O-N 2.83Å; M70-T72 VanDerWaalsContact O-N 3.07Å; M70-V73 HydrophobicContact CB-CB 4.17Å; M70-V73 HydrophobicContact CB-CG2 3.93Å; M70-V73 PolarHBondContact O-N 2.89Å; M70-V73 HydrophobicContact SD-CG2 4.32Å; M70-T74 PolarHBondContact O-N 2.85Å; M70-I330 HydrophobicContact CE-CD1 3.56Å; M70-Y411 HydrophobicContact CE-CD2 4.35Å; M70-Y411 HydrophobicContact CE-CE2 3.49Å; M70-Y411 VanDerWaalsContact CE-CE2 3.49Å; M70-Y411 HydrophobicContact SD-CE2 4.39Å; M70-R412 WeakPolarHBondContact CE-O 3.35Å; M70-M414 HydrophobicContact CB-SD 4.34Å; M70-M414 HydrophobicContact CG-CG 4.25Å; M70-M414 HydrophobicContact CG-SD 4.36Å
71	D	92.5	Very high	97.3	Very high	21 Å²	21	13.8 Å²	13.8	11%	0.112	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.7	-179.5	64.4	11.1	0	0	0	115.2	H92 N94 P397 R412	D71-H92 VanDerWaalsContact CA-CD2 3.45Å; D71-H92 WeakPolarHBondContact CA-CD2 3.31Å; D71-N94 HydrophobicContact CB-CB 4.31Å; D71-N94 PolarHBondContact OD2-ND2 3.38Å; D71-P397 WeakPolarHBondContact O-CG 3.25Å; D71-R412 IonicContact OD1-NE 2.73Å; D71-R412 PolarHBondContact OD1-NE 2.9Å; D71-R412 IonicContact OD2-CZ 2.68Å; D71-R412 IonicContact OD2-NE 3.81Å; D71-R412 PolarHBondContact OD2-NE 3.09Å; D71-R412 IonicContact OD2-NH2 3.21Å; D71-R412 PolarHBondContact OD2-NH2 2.72Å
72	T	93.6	Very high	97.3	Very high	14 Å²	14	13.8 Å²	13.8	9%	0.086	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	9.1	174.2	45	0	0	0	0	112.4	M70 K410 Y411 R412	M70-T72 PolarHBondContact O-N 2.83Å; M70-T72 VanDerWaalsContact O-N 3.07Å; T72-K410 WeakPolarHBondContact CG2-O 3.35Å; T72-Y411 WeakPolarHBondContact OG1-CD2 3.36Å; T72-R412 HydrophobicContact CG2-CG 3.96Å; T72-R412 PolarHBondContact OG1-N 3.22Å
73	V	96.6	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-52.8	-177.3	-174.4	0	0	0	0	111.9	M70 M78 L390 A391 P397 Y411	M70-V73 HydrophobicContact CB-CB 4.17Å; M70-V73 HydrophobicContact CB-CG2 3.93Å; M70-V73 PolarHBondContact O-N 2.89Å; M70-V73 HydrophobicContact SD-CG2 4.32Å; V73-M78 VanDerWaalsContact O-CB 3.3Å; V73-M78 WeakPolarHBondContact O-CB 3.46Å; V73-M78 WeakPolarHBondContact O-CE 3.35Å; V73-M78 VanDerWaalsContact O-CG 3.31Å; V73-M78 WeakPolarHBondContact O-CG 3.36Å; V73-L390 HydrophobicContact CG1-CB 4.15Å; V73-A391 HydrophobicContact CG2-CB 4.28Å; V73-P397 WeakPolarHBondContact O-CD 3.26Å; V73-Y411 HydrophobicContact CG2-CD2 4.34Å; V73-Y411 HydrophobicContact CG2-CE2 3.79Å
74	T	98.4	Very high	97.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.055	C	C	.	.			trans	-129.6	104.2	-165.6	-47.1	0	0	0	0	114.6	S67 S68 M70 M78 A79 F90 I91 H92	S67-T74 VanDerWaalsContact CB-OG1 3.27Å; S67-T74 WeakPolarHBondContact CB-OG1 3.46Å; S67-T74 VanDerWaalsContact OG-CG2 3.23Å; S67-T74 WeakPolarHBondContact OG-CG2 3.3Å; S67-T74 PolarHBondContact OG-OG1 2.92Å; S68-T74 WeakPolarHBondContact O-CB 3.3Å; S68-T74 PolarHBondContact O-OG1 3.01Å; M70-T74 PolarHBondContact O-N 2.85Å; T74-M78 HydrophobicContact CG2-CB 4.18Å; T74-M78 HydrophobicContact CG2-CG 4.04Å; T74-A79 HydrophobicContact CG2-CB 4.21Å; T74-F90 WeakPolarHBondContact CB-O 3.39Å; T74-F90 WeakPolarHBondContact CG2-O 3.33Å; T74-I91 HydrophobicContact CG2-CD1 4.36Å; T74-H92 PolarHBondContact O-CD2 3.08Å
75	E	98.1	Very high	97.3	Very high	59 Å²	59	9.2 Å²	9.2	28%	0.276	6%	0.058	S	C	.	.	S	Bend	trans	-117.3	-167.9	157.8	-73.1	-173.7	160.7	0	0	109.1	G77 M78 A79 I91 H92 P397	E75-G77 PolarHBondContact O-N 3.25Å; E75-M78 PolarHBondContact O-N 3.24Å; E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.74Å; E75-I91 VanDerWaalsContact C-CD1 3.5Å; E75-H92 IonicContact OE1-NE2 3.56Å; E75-P397 HydrophobicContact CB-CB 4.38Å; E75-P397 HydrophobicContact CG-CB 3.92Å; E75-P397 HydrophobicContact CG-CG 4.12Å
76	A	97.9	Very high	97.2	Very high	6 Å²	6	9.2 Å²	9.2	5%	0.05	6%	0.058	C	C	.	.	H	α-helix	trans	-55.3	-37.4	-176.5	0	0	0	0	0	113.2	A79 I80 E103 K106 V107	A76-A79 PolarHBondContact O-N 2.91Å; A76-I80 HydrophobicContact CB-CD1 4.38Å; A76-I80 VanDerWaalsContact O-CB 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.35Å; A76-I80 WeakPolarHBondContact O-CD1 2.93Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 3.45Å; A76-E103 WeakPolarHBondContact CB-OE2 3.39Å; A76-E103 PolarHBondContact N-OE2 2.99Å; A76-K106 HydrophobicContact CB-CB 3.9Å; A76-K106 HydrophobicContact CB-CD 4.13Å; A76-V107 HydrophobicContact CB-CG2 4.03Å
77	G	96.7	Very high	97.2	Very high	38 Å²	38	9.2 Å²	9.2	39%	0.392	6%	0.058	S	C	.	.	H	α-helix	trans	-57.5	-54.6	179	0	0	0	0	0	112.7	E75 A81	E75-G77 PolarHBondContact O-N 3.25Å; G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 3.15Å; G77-A81 VanDerWaalsContact O-N 3.13Å
78	M	98.3	Very high	97.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.1	-45.1	174.8	178.2	64.1	69	0	0	111.8	V73 T74 E75 I80 A81 M82 L390 T393 E395 A396 I453	V73-M78 VanDerWaalsContact O-CB 3.3Å; V73-M78 WeakPolarHBondContact O-CB 3.46Å; V73-M78 WeakPolarHBondContact O-CE 3.35Å; V73-M78 VanDerWaalsContact O-CG 3.31Å; V73-M78 WeakPolarHBondContact O-CG 3.36Å; T74-M78 HydrophobicContact CG2-CB 4.18Å; T74-M78 HydrophobicContact CG2-CG 4.04Å; E75-M78 PolarHBondContact O-N 3.24Å; M78-I80 PolarHBondContact O-N 3.11Å; M78-A81 PolarHBondContact O-N 2.87Å; M78-M82 HydrophobicContact CG-CG 4.14Å; M78-M82 WeakPolarHBondContact O-CB 3.24Å; M78-M82 VanDerWaalsContact O-CG 3.27Å; M78-M82 WeakPolarHBondContact O-CG 3.48Å; M78-M82 PolarHBondContact O-N 3.1Å; M78-M82 HydrophobicContact SD-CG 3.71Å; M78-M82 HydrophobicContact SD-SD 4.21Å; M78-L390 HydrophobicContact CE-CB 3.98Å; M78-L390 HydrophobicContact SD-CB 4.45Å; M78-L390 HydrophobicContact SD-CD1 4.24Å; M78-T393 VanDerWaalsContact CE-OG1 3.28Å; M78-T393 WeakPolarHBondContact CE-OG1 3.3Å; M78-E395 PolarHBondContact N-O 2.67Å; M78-A396 HydrophobicContact CE-CB 4.01Å; M78-I453 HydrophobicContact CE-CG2 4.07Å; M78-I453 HydrophobicContact SD-CD1 3.8Å; M78-I453 HydrophobicContact SD-CG2 4.16Å
79	A	98.5	Very high	97.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-43	-177.2	0	0	0	0	0	112.6	T74 E75 A76 A83 I91 V107	T74-A79 HydrophobicContact CG2-CB 4.21Å; E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.74Å; A76-A79 PolarHBondContact O-N 2.91Å; A79-A83 WeakPolarHBondContact O-CB 3.32Å; A79-A83 PolarHBondContact O-N 3.25Å; A79-I91 HydrophobicContact CB-CD1 3.75Å; A79-V107 HydrophobicContact CB-CG2 3.71Å
80	I	98.1	Very high	97.3	Very high	20 Å²	20	9 Å²	9	10%	0.103	6%	0.057	C	C	.	.	H	α-helix	trans	-59.4	-51.9	173.9	-73.9	160.2	0	0	0	110.1	A76 M78 M82 A83 L84 V107 Y110 L244	A76-I80 HydrophobicContact CB-CD1 4.38Å; A76-I80 VanDerWaalsContact O-CB 3.3Å; A76-I80 WeakPolarHBondContact O-CB 3.35Å; A76-I80 WeakPolarHBondContact O-CD1 2.93Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 3.45Å; M78-I80 PolarHBondContact O-N 3.11Å; I80-M82 PolarHBondContact O-N 2.95Å; I80-A83 PolarHBondContact O-N 2.91Å; I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CB 3.43Å; I80-L84 VanDerWaalsContact O-CG 3.3Å; I80-L84 WeakPolarHBondContact O-CG 3.18Å; I80-L84 PolarHBondContact O-N 3.27Å; I80-V107 HydrophobicContact CG1-CB 4.25Å; I80-V107 HydrophobicContact CG1-CG1 4.17Å; I80-V107 HydrophobicContact CG1-CG2 4.09Å; I80-Y110 HydrophobicContact CD1-CD2 3.62Å; I80-Y110 HydrophobicContact CD1-CE2 4.3Å; I80-Y110 HydrophobicContact CD1-CG 3.9Å; I80-Y110 HydrophobicContact CG1-CD2 4.25Å; I80-Y110 HydrophobicContact CG1-CG 4.05Å; I80-Y110 HydrophobicContact CG2-CD1 3.65Å; I80-Y110 HydrophobicContact CG2-CD2 4.01Å; I80-Y110 HydrophobicContact CG2-CE1 3.7Å; I80-Y110 HydrophobicContact CG2-CE2 4.05Å; I80-Y110 HydrophobicContact CG2-CG 3.8Å; I80-L244 HydrophobicContact CG2-CD1 4.11Å
81	A	97.8	Very high	97.5	Very high	3 Å²	3	8.3 Å²	8.3	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-71.4	-32.4	-172.5	0	0	0	0	0	112.2	G77 M78 T85 E395 I453	G77-A81 WeakPolarHBondContact O-CB 3.46Å; G77-A81 PolarHBondContact O-N 3.15Å; G77-A81 VanDerWaalsContact O-N 3.13Å; M78-A81 PolarHBondContact O-N 2.87Å; A81-T85 WeakPolarHBondContact O-CG2 3.24Å; A81-T85 PolarHBondContact O-N 3.04Å; A81-T85 VanDerWaalsContact O-N 3.12Å; A81-T85 PolarHBondContact O-OG1 3.19Å; A81-E395 HydrophobicContact CB-CG 4.08Å; A81-I453 HydrophobicContact CB-CD1 3.14Å; A81-I453 HydrophobicContact CB-CG1 3.57Å
82	M	98.4	Very high	97.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.4	-44.7	170	-73.2	-61.9	-61.9	0	0	111.6	L65 M78 I80 T85 G86 G87 L390 I453 V457	L65-M82 HydrophobicContact CB-CE 3.85Å; L65-M82 WeakPolarHBondContact O-CE 3.5Å; M78-M82 HydrophobicContact CG-CG 4.14Å; M78-M82 WeakPolarHBondContact O-CB 3.24Å; M78-M82 VanDerWaalsContact O-CG 3.27Å; M78-M82 WeakPolarHBondContact O-CG 3.48Å; M78-M82 PolarHBondContact O-N 3.1Å; M78-M82 HydrophobicContact SD-CG 3.71Å; M78-M82 HydrophobicContact SD-SD 4.21Å; I80-M82 PolarHBondContact O-N 2.95Å; M82-T85 CarbonylContact O-C 3.51Å; M82-T85 PolarHBondContact O-N 2.78Å; M82-T85 PolarHBondContact O-OG1 3.43Å; M82-T85 VanDerWaalsContact O-OG1 3.12Å; M82-G86 PolarHBondContact O-N 3.36Å; M82-G87 CarbonylContact O-C 3.57Å; M82-G87 WeakPolarHBondContact O-CA 3.45Å; M82-G87 PolarHBondContact O-N 3.04Å; M82-L390 HydrophobicContact CE-CD1 4.19Å; M82-L390 HydrophobicContact SD-CD1 3.85Å; M82-I453 HydrophobicContact CG-CD1 4.18Å; M82-I453 HydrophobicContact SD-CD1 4.19Å; M82-V457 HydrophobicContact SD-CG2 4.02Å
83	A	98.2	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.1	-41.5	177.5	0	0	0	0	0	111.7	A79 I80 T85 G86 A236 S237 L244	A79-A83 WeakPolarHBondContact O-CB 3.32Å; A79-A83 PolarHBondContact O-N 3.25Å; I80-A83 PolarHBondContact O-N 2.91Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 2.92Å; A83-G86 PolarHBondContact O-N 3.1Å; A83-G86 VanDerWaalsContact O-N 3.12Å; A83-A236 CarbonylContact O-C 3.58Å; A83-A236 VanDerWaalsContact O-CA 3.28Å; A83-A236 WeakPolarHBondContact O-CA 3.01Å; A83-S237 PolarHBondContact O-N 3Å; A83-L244 HydrophobicContact CB-CB 3.92Å; A83-L244 HydrophobicContact CB-CD1 4.27Å; A83-L244 HydrophobicContact CB-CD2 4.08Å; A83-L244 HydrophobicContact CB-CG 4.31Å
84	L	97.1	Very high	97.7	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.016	5%	0.047	C	C	.	.	H	α-helix	trans	-60.5	-35.5	175	-74.2	168.6	0	0	0	112.6	I80 G86 Y110 E111 Y233 A236 L244	I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CB 3.43Å; I80-L84 VanDerWaalsContact O-CG 3.3Å; I80-L84 WeakPolarHBondContact O-CG 3.18Å; I80-L84 PolarHBondContact O-N 3.27Å; L84-G86 VanDerWaalsContact C-N 3.25Å; L84-G86 PolarHBondContact O-N 3.41Å; L84-Y110 HydrophobicContact CD1-CE1 3.96Å; L84-E111 WeakPolarHBondContact CD2-OE2 3.41Å; L84-Y233 HydrophobicContact CB-CD1 3.88Å; L84-Y233 HydrophobicContact CB-CD2 4.33Å; L84-Y233 HydrophobicContact CB-CE1 4.25Å; L84-Y233 HydrophobicContact CB-CG 3.93Å; L84-Y233 HydrophobicContact CD1-CD2 4.36Å; L84-Y233 HydrophobicContact CD1-CE2 4.16Å; L84-Y233 HydrophobicContact CD2-CD2 3.69Å; L84-Y233 HydrophobicContact CD2-CE2 4.29Å; L84-Y233 HydrophobicContact CD2-CG 3.91Å; L84-Y233 HydrophobicContact CG-CD2 4.35Å; L84-Y233 HydrophobicContact CG-CG 4.4Å; L84-Y233 WeakPolarHBondContact O-CB 3.48Å; L84-A236 WeakPolarHBondContact O-CA 3.3Å; L84-L244 HydrophobicContact CD2-CD1 4.26Å; L84-L244 HydrophobicContact CD2-CD2 4.12Å; L84-L244 HydrophobicContact CG-CD1 4.11Å; L84-L244 HydrophobicContact CG-CD2 4.45Å
85	T	96.4	Very high	97.4	Very high	11 Å²	11	8 Å²	8	7%	0.067	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	12.5	178.9	53.4	0	0	0	0	113.6	A81 M82 A83 V457	A81-T85 WeakPolarHBondContact O-CG2 3.24Å; A81-T85 PolarHBondContact O-N 3.04Å; A81-T85 VanDerWaalsContact O-N 3.12Å; A81-T85 PolarHBondContact O-OG1 3.19Å; M82-T85 CarbonylContact O-C 3.51Å; M82-T85 PolarHBondContact O-N 2.78Å; M82-T85 PolarHBondContact O-OG1 3.43Å; M82-T85 VanDerWaalsContact O-OG1 3.12Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 2.92Å; T85-V457 HydrophobicContact CG2-CB 4.41Å; T85-V457 HydrophobicContact CG2-CG1 4.33Å
86	G	97.1	Very high	97.3	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	6.2	172.8	0	0	0	0	0	115.9	K62 T63 M82 A83 L84 L235 S237	K62-G86 PolarHBondContact N-O 3.02Å; T63-G86 PolarHBondContact N-O 2.73Å; T63-G86 PolarHBondContact OG1-O 2.94Å; M82-G86 PolarHBondContact O-N 3.36Å; A83-G86 PolarHBondContact O-N 3.1Å; A83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 VanDerWaalsContact C-N 3.25Å; L84-G86 PolarHBondContact O-N 3.41Å; G86-L235 WeakPolarHBondContact CA-O 3.29Å; G86-S237 WeakPolarHBondContact CA-OG 3.45Å; G86-S237 PolarHBondContact O-OG 3.2Å
87	G	98.3	Very high	97.3	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-94.6	-152	168.9	0	0	0	0	0	111.9	T63 L65 M82 S237	T63-G87 PolarHBondContact OG1-N 2.98Å; L65-G87 WeakPolarHBondContact O-CA 3.45Å; M82-G87 CarbonylContact O-C 3.57Å; M82-G87 WeakPolarHBondContact O-CA 3.45Å; M82-G87 PolarHBondContact O-N 3.04Å; G87-S237 WeakPolarHBondContact O-CB 3.35Å; G87-S237 PolarHBondContact O-OG 3.4Å
88	I	98.7	Very high	97.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.9	171.5	-167	172.9	0	0	0	110.1	L55 L61 L65 V66 S67 F90 L245 V270	L55-I88 HydrophobicContact CD1-CG2 4.31Å; L55-I88 HydrophobicContact CD2-CD1 3.83Å; L55-I88 HydrophobicContact CD2-CG2 3.89Å; L61-I88 HydrophobicContact CD1-CB 4.25Å; L61-I88 HydrophobicContact CD1-CG2 3.76Å; L61-I88 HydrophobicContact CD2-CB 4.14Å; L61-I88 HydrophobicContact CD2-CG2 4.42Å; L65-I88 PolarHBondContact O-N 3.08Å; V66-I88 WeakPolarHBondContact CA-O 3.48Å; V66-I88 HydrophobicContact CB-CG2 4.39Å; V66-I88 HydrophobicContact CG1-CG2 3.96Å; V66-I88 HydrophobicContact CG2-CG2 3.97Å; S67-I88 PolarHBondContact N-O 2.92Å; S67-I88 VanDerWaalsContact N-O 3.09Å; I88-F90 HydrophobicContact CG2-CE2 3.86Å; I88-L245 HydrophobicContact CD1-CB 3.92Å; I88-L245 HydrophobicContact CG1-CB 4.27Å; I88-V270 HydrophobicContact CD1-CG1 3.77Å
89	G	98.6	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.5	170.2	0	0	0	0	0	113.4	S67 G247	S67-G89 WeakPolarHBondContact OG-CA 3.47Å; G89-G247 WeakPolarHBondContact O-CA 3.4Å; G89-G247 PolarHBondContact O-N 2.6Å
90	F	98.8	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.4	174.2	-74.3	-94.2	0	0	0	111.5	L55 V66 P69 T74 I88 H92 G247 V270 V272 I300 M385	L55-F90 HydrophobicContact CD2-CZ 4.37Å; V66-F90 HydrophobicContact CG1-CD2 3.4Å; V66-F90 HydrophobicContact CG1-CE2 3.35Å; P69-F90 VanDerWaalsContact CA-O 3.27Å; P69-F90 WeakPolarHBondContact CA-O 3.26Å; P69-F90 HydrophobicContact CB-CB 3.91Å; P69-F90 HydrophobicContact CG-CB 4.37Å; T74-F90 WeakPolarHBondContact CB-O 3.39Å; T74-F90 WeakPolarHBondContact CG2-O 3.33Å; I88-F90 HydrophobicContact CG2-CE2 3.86Å; F90-H92 PolarHBondContact O-N 2.57Å; F90-G247 CarbonylContact C-O 3.56Å; F90-G247 WeakPolarHBondContact CA-O 3.48Å; F90-V270 HydrophobicContact CE1-CG1 3.83Å; F90-V270 HydrophobicContact CE1-CG2 4.3Å; F90-V270 HydrophobicContact CZ-CG1 3.8Å; F90-V270 HydrophobicContact CZ-CG2 4.4Å; F90-V272 HydrophobicContact CD1-CB 4.04Å; F90-V272 HydrophobicContact CD1-CG1 3.57Å; F90-V272 HydrophobicContact CE1-CB 4.02Å; F90-V272 HydrophobicContact CE1-CG1 4.08Å; F90-V272 HydrophobicContact CG-CG1 4.27Å; F90-I300 HydrophobicContact CE1-CD1 3.75Å; F90-I300 HydrophobicContact CE2-CD1 4.4Å; F90-I300 HydrophobicContact CZ-CD1 3.37Å; F90-M385 HydrophobicContact CD2-CE 3.86Å; F90-M385 HydrophobicContact CE2-CE 4.18Å; F90-M385 HydrophobicContact CG-CE 4.39Å
91	I	98.7	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.5	175.9	-50.4	-61.1	0	0	0	109.7	T74 E75 A79 Q100 E103 V104 G247 A249	T74-I91 HydrophobicContact CG2-CD1 4.36Å; E75-I91 VanDerWaalsContact C-CD1 3.5Å; A79-I91 HydrophobicContact CB-CD1 3.75Å; I91-Q100 HydrophobicContact CB-CG 4.33Å; I91-Q100 HydrophobicContact CG2-CG 3.73Å; I91-Q100 PolarHBondContact O-NE2 3.44Å; I91-Q100 VanDerWaalsContact O-NE2 3.16Å; I91-E103 HydrophobicContact CD1-CB 4.27Å; I91-E103 HydrophobicContact CG1-CB 4.39Å; I91-E103 HydrophobicContact CG2-CB 3.93Å; I91-E103 HydrophobicContact CG2-CG 4.46Å; I91-V104 HydrophobicContact CG1-CG2 4.19Å; I91-G247 PolarHBondContact N-O 2.87Å; I91-A249 PolarHBondContact O-N 2.94Å
92	H	97.9	Very high	97.2	Very high	4 Å²	4	18 Å²	18	2%	0.019	10%	0.096	C	C	.	.			trans	-66.3	160.2	177.9	70.5	88.5	0	0	0	112.8	D71 T74 E75 F90 N94 Q100	D71-H92 VanDerWaalsContact CA-CD2 3.45Å; D71-H92 WeakPolarHBondContact CA-CD2 3.31Å; T74-H92 PolarHBondContact O-CD2 3.08Å; E75-H92 IonicContact OE1-NE2 3.56Å; F90-H92 PolarHBondContact O-N 2.57Å; H92-N94 PolarHBondContact CE1-O 3.2Å; H92-N94 WeakPolarHBondContact ND1-CA 3.4Å; H92-N94 WeakPolarHBondContact ND1-CB 3.36Å; H92-N94 PolarHBondContact ND1-N 3.18Å; H92-N94 VanDerWaalsContact ND1-N 3.11Å; H92-Q100 WeakPolarHBondContact O-CG 3.36Å; H92-Q100 PolarHBondContact O-NE2 3.08Å
93	H	96.3	Very high	97.2	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.019	10%	0.097	C	C	.	.	S	Bend	trans	-104.6	11.9	175.9	71.5	117.3	0	0	0	113.8	C95 A249 D274 S425	H93-C95 PolarHBondContact O-N 2.87Å; H93-A249 WeakPolarHBondContact CB-O 3.22Å; H93-D274 IonicContact NE2-OD2 3.33Å; H93-S425 WeakPolarHBondContact ND1-CB 3.26Å; H93-S425 WeakPolarHBondContact O-CB 3.48Å; H93-S425 PolarHBondContact O-OG 3.12Å
94	N	93.2	Very high	97.2	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	10%	0.097	C	C	.	.	S	Bend	trans	-74.1	50.2	171.8	-150.2	36.4	0	0	0	113.6	D71 H92 M414 H423 S425 S426	D71-N94 HydrophobicContact CB-CB 4.31Å; D71-N94 PolarHBondContact OD2-ND2 3.38Å; H92-N94 PolarHBondContact CE1-O 3.2Å; H92-N94 WeakPolarHBondContact ND1-CA 3.4Å; H92-N94 WeakPolarHBondContact ND1-CB 3.36Å; H92-N94 PolarHBondContact ND1-N 3.18Å; H92-N94 VanDerWaalsContact ND1-N 3.11Å; N94-M414 HydrophobicContact CB-CE 3.55Å; N94-H423 PolarHBondContact O-CD2 3.33Å; N94-H423 VanDerWaalsContact OD1-CB 3.29Å; N94-H423 WeakPolarHBondContact OD1-CB 3.48Å; N94-S425 WeakPolarHBondContact CA-OG 3.46Å; N94-S425 PolarHBondContact OD1-OG 3.29Å; N94-S426 VanDerWaalsContact CG-OG 3.27Å; N94-S426 PolarHBondContact OD1-OG 3.36Å
95	C	93.3	Very high	97.1	Very high	15 Å²	15	22.7 Å²	22.7	10%	0.101	11%	0.113	C	C	.	.	S	Bend	trans	-166	177.6	-173.6	56.1	0	0	0	0	109.6	H93 F99 R259	H93-C95 PolarHBondContact O-N 2.87Å; C95-F99 HydrophobicContact CB-CB 4.31Å; C95-F99 HydrophobicContact CB-CD1 3.57Å; C95-F99 HydrophobicContact CB-CE1 4.22Å; C95-F99 HydrophobicContact CB-CG 4.19Å; C95-R259 PolarHBondContact O-NH1 3.17Å; C95-R259 PolarHBondContact O-NH2 3.43Å
96	T	96.1	Very high	97	Very high	79 Å²	79	27 Å²	27	49%	0.485	13%	0.131	S	C	.	.			trans	-68.8	154.4	173.6	64.5	0	0	0	0	111.6	E98 F99 Q100 R259	T96-E98 VanDerWaalsContact C-N 3.25Å; T96-E98 PolarHBondContact O-N 3.46Å; T96-F99 PolarHBondContact O-N 2.94Å; T96-F99 WeakPolarHBondContact OG1-CB 3.45Å; T96-F99 PolarHBondContact OG1-N 3.25Å; T96-Q100 PolarHBondContact O-N 3.36Å; T96-Q100 VanDerWaalsContact O-N 3.16Å; T96-R259 PolarHBondContact O-NH1 3.17Å
97	P	97.2	Very high	97	Very high	27 Å²	27	27 Å²	27	18%	0.175	13%	0.131	C	C	.	.	H	α-helix	trans	-52.8	-41.6	173.1	-29.1	38.1	0	0	0	113.6	Q100 A101 Y258 R259 L262	P97-Q100 PolarHBondContact O-N 2.91Å; P97-A101 WeakPolarHBondContact O-CB 3.41Å; P97-A101 PolarHBondContact O-N 3.22Å; P97-Y258 HydrophobicContact CB-CD1 4.33Å; P97-Y258 HydrophobicContact CB-CE1 4.21Å; P97-Y258 HydrophobicContact CG-CD1 4.3Å; P97-Y258 HydrophobicContact CG-CE1 4.42Å; P97-R259 HydrophobicContact CB-CB 4.07Å; P97-R259 HydrophobicContact CB-CG 4.28Å; P97-R259 HydrophobicContact CG-CB 4.17Å; P97-L262 HydrophobicContact CB-CD1 3.75Å
98	E	97.4	Very high	96.8	Very high	86 Å²	86	27.2 Å²	27.2	40%	0.402	13%	0.132	S	C	.	.	H	α-helix	trans	-67.7	-40.4	-177.8	-63.4	70.2	-153	0	0	111.8	T96 N102 Y258 L262	T96-E98 VanDerWaalsContact C-N 3.25Å; T96-E98 PolarHBondContact O-N 3.46Å; E98-N102 WeakPolarHBondContact O-CB 3.44Å; E98-N102 PolarHBondContact O-N 2.92Å; E98-Y258 WeakPolarHBondContact OE1-CE1 3.41Å; E98-Y258 PolarHBondContact OE1-OH 3.05Å; E98-Y258 VanDerWaalsContact OE1-OH 3.11Å; E98-L262 HydrophobicContact CG-CD1 4.25Å
99	F	96.9	Very high	96.4	Very high	79 Å²	79	32.5 Å²	32.5	35%	0.346	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-49.3	175.8	179.1	-88.7	0	0	0	110.5	C95 T96 A101 N102 E103	C95-F99 HydrophobicContact CB-CB 4.31Å; C95-F99 HydrophobicContact CB-CD1 3.57Å; C95-F99 HydrophobicContact CB-CE1 4.22Å; C95-F99 HydrophobicContact CB-CG 4.19Å; T96-F99 PolarHBondContact O-N 2.94Å; T96-F99 WeakPolarHBondContact OG1-CB 3.45Å; T96-F99 PolarHBondContact OG1-N 3.25Å; F99-A101 PolarHBondContact O-N 2.9Å; F99-N102 WeakPolarHBondContact O-CB 3.27Å; F99-N102 PolarHBondContact O-N 3.2Å; F99-N102 VanDerWaalsContact O-N 3.09Å; F99-E103 HydrophobicContact CD1-CG 4.09Å; F99-E103 HydrophobicContact CE1-CG 3.68Å; F99-E103 HydrophobicContact CZ-CG 4.08Å; F99-E103 PolarHBondContact O-N 3.1Å
100	Q	98.3	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-44.4	179.9	-161.4	-173.2	17	0	0	112	I91 H92 T96 P97 N102 E103 V104 A249 R259 L263	I91-Q100 HydrophobicContact CB-CG 4.33Å; I91-Q100 HydrophobicContact CG2-CG 3.73Å; I91-Q100 PolarHBondContact O-NE2 3.44Å; I91-Q100 VanDerWaalsContact O-NE2 3.16Å; H92-Q100 WeakPolarHBondContact O-CG 3.36Å; H92-Q100 PolarHBondContact O-NE2 3.08Å; T96-Q100 PolarHBondContact O-N 3.36Å; T96-Q100 VanDerWaalsContact O-N 3.16Å; P97-Q100 PolarHBondContact O-N 2.91Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 3.17Å; Q100-E103 PolarHBondContact O-N 3.16Å; Q100-V104 PolarHBondContact O-N 3.4Å; Q100-A249 PolarHBondContact NE2-O 3.03Å; Q100-R259 VanDerWaalsContact OE1-CD 3.22Å; Q100-L263 HydrophobicContact CB-CD2 4.27Å; Q100-L263 HydrophobicContact CG-CD2 3.88Å
101	A	97.9	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-36.2	175.5	0	0	0	0	0	111.8	P97 F99 V104 R105 L262 L263 A266	P97-A101 WeakPolarHBondContact O-CB 3.41Å; P97-A101 PolarHBondContact O-N 3.22Å; F99-A101 PolarHBondContact O-N 2.9Å; A101-V104 PolarHBondContact O-N 2.89Å; A101-R105 WeakPolarHBondContact O-CG 3.38Å; A101-R105 PolarHBondContact O-N 3.24Å; A101-L262 HydrophobicContact CB-CB 3.95Å; A101-L263 HydrophobicContact CB-CD2 4.48Å; A101-A266 HydrophobicContact CB-CB 4.26Å
102	N	96.5	Very high	94.3	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-66.8	-41.1	174.6	-166.8	53.1	0	0	0	112.8	E98 F99 Q100 V104 R105 K106	E98-N102 WeakPolarHBondContact O-CB 3.44Å; E98-N102 PolarHBondContact O-N 2.92Å; F99-N102 WeakPolarHBondContact O-CB 3.27Å; F99-N102 PolarHBondContact O-N 3.2Å; F99-N102 VanDerWaalsContact O-N 3.09Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 3.17Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 2.95Å; N102-R105 PolarHBondContact O-N 3.36Å; N102-R105 PolarHBondContact OD1-NH1 3.05Å; N102-K106 WeakPolarHBondContact O-CG 3.45Å; N102-K106 PolarHBondContact O-N 3.21Å
103	E	98.1	Very high	93.5	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-59.5	-44.3	173.1	-70	-58.9	106.1	0	0	111.3	A76 I91 F99 Q100 R105 K106 V107	A76-E103 WeakPolarHBondContact CB-OE2 3.39Å; A76-E103 PolarHBondContact N-OE2 2.99Å; I91-E103 HydrophobicContact CD1-CB 4.27Å; I91-E103 HydrophobicContact CG1-CB 4.39Å; I91-E103 HydrophobicContact CG2-CB 3.93Å; I91-E103 HydrophobicContact CG2-CG 4.46Å; F99-E103 HydrophobicContact CD1-CG 4.09Å; F99-E103 HydrophobicContact CE1-CG 3.68Å; F99-E103 HydrophobicContact CZ-CG 4.08Å; F99-E103 PolarHBondContact O-N 3.1Å; Q100-E103 PolarHBondContact O-N 3.16Å; E103-R105 PolarHBondContact O-N 2.82Å; E103-K106 WeakPolarHBondContact O-CB 3.37Å; E103-K106 PolarHBondContact O-N 3.1Å; E103-K106 WeakPolarHBondContact OE1-CD 3.47Å; E103-K106 WeakPolarHBondContact OE1-CE 3.42Å; E103-K106 IonicContact OE1-NZ 2.87Å; E103-K106 PolarHBondContact OE1-NZ 2.85Å; E103-V107 WeakPolarHBondContact O-CG2 3.42Å; E103-V107 PolarHBondContact O-N 3.49Å; E103-V107 VanDerWaalsContact O-N 3.17Å
104	V	98.2	Very high	93.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-46.6	173.6	173.1	0	0	0	0	111.2	I91 Q100 A101 N102 K106 V107 K108 A248 L263 A266 V268	I91-V104 HydrophobicContact CG1-CG2 4.19Å; Q100-V104 PolarHBondContact O-N 3.4Å; A101-V104 PolarHBondContact O-N 2.89Å; N102-V104 VanDerWaalsContact C-N 3.33Å; N102-V104 PolarHBondContact O-N 2.95Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.32Å; V104-V107 PolarHBondContact O-N 3.27Å; V104-V107 VanDerWaalsContact O-N 3.11Å; V104-K108 HydrophobicContact CG1-CG 4.1Å; V104-K108 WeakPolarHBondContact O-CG 3.29Å; V104-K108 PolarHBondContact O-N 3.23Å; V104-A248 HydrophobicContact CG2-CB 4.29Å; V104-L263 HydrophobicContact CG2-CD2 3.77Å; V104-A266 HydrophobicContact CB-CB 4.14Å; V104-A266 HydrophobicContact CG1-CB 3.91Å; V104-V268 HydrophobicContact CG1-CB 4.08Å
105	R	95	Very high	92.9	Very high	94 Å²	94	42.4 Å²	42.4	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-40.5	177.2	-72.2	-178.5	-137.9	112.9	1.7	112.1	A101 N102 E103 V107 K108 K109 A266	A101-R105 WeakPolarHBondContact O-CG 3.38Å; A101-R105 PolarHBondContact O-N 3.24Å; N102-R105 PolarHBondContact O-N 3.36Å; N102-R105 PolarHBondContact OD1-NH1 3.05Å; E103-R105 PolarHBondContact O-N 2.82Å; R105-V107 VanDerWaalsContact C-N 3.32Å; R105-V107 PolarHBondContact O-N 3.03Å; R105-K108 PolarHBondContact O-N 3.44Å; R105-K109 VanDerWaalsContact O-CB 3.28Å; R105-K109 WeakPolarHBondContact O-CB 3.41Å; R105-K109 WeakPolarHBondContact O-CG 3.36Å; R105-K109 PolarHBondContact O-N 2.88Å; R105-A266 HydrophobicContact CG-CB 3.75Å
106	K	94.4	Very high	92.6	Very high	100 Å²	100	46.5 Å²	46.5	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-44.1	175.9	-70.6	174	-174.2	172.3	0	111.2	A76 N102 E103 V104 Y110	A76-K106 HydrophobicContact CB-CB 3.9Å; A76-K106 HydrophobicContact CB-CD 4.13Å; N102-K106 WeakPolarHBondContact O-CG 3.45Å; N102-K106 PolarHBondContact O-N 3.21Å; E103-K106 WeakPolarHBondContact O-CB 3.37Å; E103-K106 PolarHBondContact O-N 3.1Å; E103-K106 WeakPolarHBondContact OE1-CD 3.47Å; E103-K106 WeakPolarHBondContact OE1-CE 3.42Å; E103-K106 IonicContact OE1-NZ 2.87Å; E103-K106 PolarHBondContact OE1-NZ 2.85Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.32Å; K106-Y110 PolarHBondContact O-N 3.38Å; K106-Y110 VanDerWaalsContact O-N 3.15Å
107	V	96.7	Very high	92.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-51.4	177.2	-177.1	0	0	0	0	111	A76 A79 I80 E103 V104 R105 K109 Y110 L244 C246	A76-V107 HydrophobicContact CB-CG2 4.03Å; A79-V107 HydrophobicContact CB-CG2 3.71Å; I80-V107 HydrophobicContact CG1-CB 4.25Å; I80-V107 HydrophobicContact CG1-CG1 4.17Å; I80-V107 HydrophobicContact CG1-CG2 4.09Å; E103-V107 WeakPolarHBondContact O-CG2 3.42Å; E103-V107 PolarHBondContact O-N 3.49Å; E103-V107 VanDerWaalsContact O-N 3.17Å; V104-V107 PolarHBondContact O-N 3.27Å; V104-V107 VanDerWaalsContact O-N 3.11Å; R105-V107 VanDerWaalsContact C-N 3.32Å; R105-V107 PolarHBondContact O-N 3.03Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 3.26Å; V107-Y110 WeakPolarHBondContact O-CB 3.48Å; V107-Y110 PolarHBondContact O-N 2.8Å; V107-Y110 VanDerWaalsContact O-N 3.15Å; V107-L244 HydrophobicContact CG1-CB 4.26Å; V107-C246 HydrophobicContact CB-CB 4.12Å; V107-C246 HydrophobicContact CG1-CB 3.75Å
108	K	94.8	Very high	91.7	Very high	6 Å²	6	47 Å²	47	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-25.9	-177.1	-61.1	-58.7	-62.8	-177.6	0	113.6	V104 R105 Q112 D239 L244 C246 G267 D269	V104-K108 HydrophobicContact CG1-CG 4.1Å; V104-K108 WeakPolarHBondContact O-CG 3.29Å; V104-K108 PolarHBondContact O-N 3.23Å; R105-K108 PolarHBondContact O-N 3.44Å; K108-Q112 PolarHBondContact O-NE2 3.44Å; K108-D239 IonicContact NZ-OD2 3.6Å; K108-D239 PolarHBondContact NZ-OD2 3.46Å; K108-L244 VanDerWaalsContact CD-O 3.29Å; K108-L244 WeakPolarHBondContact CD-O 3.38Å; K108-L244 WeakPolarHBondContact CE-O 3.42Å; K108-L244 PolarHBondContact NZ-O 2.85Å; K108-C246 HydrophobicContact CD-CB 3.88Å; K108-C246 HydrophobicContact CG-CB 4.46Å; K108-G267 WeakPolarHBondContact CD-O 3.44Å; K108-G267 VanDerWaalsContact CE-O 3.3Å; K108-G267 WeakPolarHBondContact CE-O 3.45Å; K108-D269 VanDerWaalsContact NZ-CG 3.26Å; K108-D269 IonicContact NZ-OD1 3.87Å; K108-D269 PolarHBondContact NZ-OD1 3.35Å; K108-D269 IonicContact NZ-OD2 2.77Å; K108-D269 PolarHBondContact NZ-OD2 2.62Å
109	K	90.5	Very high	91.5	Very high	111 Å²	111	44.6 Å²	44.6	48%	0.483	21%	0.214	S	C	.	.	H	α-helix	trans	-89.6	-7.6	175.1	-68.4	-167.5	172.9	-161.6	0	113.8	R105 V107 D117	R105-K109 VanDerWaalsContact O-CB 3.28Å; R105-K109 WeakPolarHBondContact O-CB 3.41Å; R105-K109 WeakPolarHBondContact O-CG 3.36Å; R105-K109 PolarHBondContact O-N 2.88Å; V107-K109 VanDerWaalsContact C-N 3.29Å; V107-K109 PolarHBondContact O-N 3.26Å; K109-D117 IonicContact NZ-OD2 3.93Å; K109-D117 PolarHBondContact NZ-OD2 2.99Å
110	Y	89.4	Confident	91.4	Very high	94 Å²	94	41.9 Å²	41.9	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-67.5	-40.8	-174.6	-174.3	-92.4	0	0	0	113.3	I80 L84 K106 V107 K229 L244	I80-Y110 HydrophobicContact CD1-CD2 3.62Å; I80-Y110 HydrophobicContact CD1-CE2 4.3Å; I80-Y110 HydrophobicContact CD1-CG 3.9Å; I80-Y110 HydrophobicContact CG1-CD2 4.25Å; I80-Y110 HydrophobicContact CG1-CG 4.05Å; I80-Y110 HydrophobicContact CG2-CD1 3.65Å; I80-Y110 HydrophobicContact CG2-CD2 4.01Å; I80-Y110 HydrophobicContact CG2-CE1 3.7Å; I80-Y110 HydrophobicContact CG2-CE2 4.05Å; I80-Y110 HydrophobicContact CG2-CG 3.8Å; L84-Y110 HydrophobicContact CD1-CE1 3.96Å; K106-Y110 PolarHBondContact O-N 3.38Å; K106-Y110 VanDerWaalsContact O-N 3.15Å; V107-Y110 WeakPolarHBondContact O-CB 3.48Å; V107-Y110 PolarHBondContact O-N 2.8Å; V107-Y110 VanDerWaalsContact O-N 3.15Å; Y110-K229 HydrophobicContact CD1-CD 4.32Å; Y110-K229 HydrophobicContact CE1-CD 3.8Å; Y110-K229 VanDerWaalsContact CE1-NZ 3.31Å; Y110-K229 PolarHBondContact O-NZ 3.25Å; Y110-L244 HydrophobicContact CD1-CD1 3.9Å; Y110-L244 HydrophobicContact CG-CD1 4.48Å
111	E	82.2	Confident	91.3	Very high	7 Å²	7	43 Å²	43	3%	0.033	21%	0.21	C	C	.	.	S	Bend	trans	-136	127.5	174.8	-174.1	177.9	154.5	0	0	107.1	L84 D226 K229 K238 Q243 L244	L84-E111 WeakPolarHBondContact CD2-OE2 3.41Å; E111-D226 HydrophobicContact CG-CB 4.28Å; E111-K229 HydrophobicContact CB-CD 4.36Å; E111-K229 HydrophobicContact CG-CD 4.35Å; E111-K238 IonicContact OE1-NZ 3.66Å; E111-K238 PolarHBondContact OE1-NZ 3.48Å; E111-Q243 WeakPolarHBondContact O-CA 3.5Å; E111-L244 HydrophobicContact CB-CG 4.19Å
112	Q	79.4	Confident	91.3	Very high	24 Å²	24	43.7 Å²	43.7	11%	0.112	22%	0.215	C	C	.	.			trans	-140.2	145.8	-178.1	-52	-173.1	-62.1	0	0	108.1	K108 I115 Q243	K108-Q112 PolarHBondContact O-NE2 3.44Å; Q112-I115 HydrophobicContact CB-CG1 3.93Å; Q112-Q243 HydrophobicContact CG-CG 4.22Å
113	G	82.1	Confident	91.3	Very high	8 Å²	8	41.4 Å²	41.4	8%	0.082	20%	0.204	C	C	.	.	S	Bend	trans	-70.8	-73.3	172.5	0	0	0	0	0	110.3
114	F	87.9	Confident	91.2	Very high	65 Å²	65	49 Å²	49	29%	0.285	24%	0.236	S	C	.	.	S	Bend	trans	-101	123.3	169.5	-70.6	-85.8	0	0	0	109.3	T116 I192 L194 A197 I211 A220 I222	F114-T116 PolarHBondContact O-N 3.35Å; F114-I192 HydrophobicContact CE1-CG2 4.18Å; F114-I192 HydrophobicContact CZ-CG2 4.2Å; F114-I192 WeakPolarHBondContact CZ-O 3.32Å; F114-L194 HydrophobicContact CD2-CD1 4.12Å; F114-L194 HydrophobicContact CE2-CB 3.78Å; F114-L194 HydrophobicContact CE2-CD1 3.9Å; F114-L194 HydrophobicContact CE2-CG 4.43Å; F114-L194 HydrophobicContact CZ-CB 4.37Å; F114-L194 HydrophobicContact CZ-CD1 4.32Å; F114-A197 HydrophobicContact CE1-CB 4.43Å; F114-A197 HydrophobicContact CZ-CB 4.34Å; F114-I211 HydrophobicContact CD1-CG1 4.04Å; F114-I211 HydrophobicContact CE1-CD1 4.11Å; F114-I211 HydrophobicContact CE1-CG1 3.98Å; F114-A220 HydrophobicContact CB-CB 4.3Å; F114-A220 HydrophobicContact CD1-CB 4.24Å; F114-I222 HydrophobicContact CD1-CD1 3.89Å; F114-I222 HydrophobicContact CD1-CG1 3.85Å; F114-I222 HydrophobicContact CE1-CD1 3.56Å; F114-I222 HydrophobicContact CE1-CG1 4.06Å; F114-I222 HydrophobicContact CZ-CD1 4.12Å
115	I	88.8	Confident	91.1	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.118	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-88	103.3	174.6	-55.1	163.9	0	0	0	107	Q112 P118 A220 I221 A223	Q112-I115 HydrophobicContact CB-CG1 3.93Å; I115-P118 HydrophobicContact CG2-CB 3.91Å; I115-A220 CarbonylContact O-C 3.55Å; I115-A220 WeakPolarHBondContact O-CA 3.33Å; I115-A220 WeakPolarHBondContact O-CB 3.43Å; I115-I221 HydrophobicContact CB-CG2 3.69Å; I115-I221 VanDerWaalsContact CB-O 3.24Å; I115-I221 WeakPolarHBondContact CB-O 3.43Å; I115-I221 HydrophobicContact CD1-CG2 4.06Å; I115-I221 HydrophobicContact CG1-CG2 4.42Å; I115-I221 WeakPolarHBondContact CG1-O 3.3Å; I115-I221 HydrophobicContact CG2-CG2 4Å; I115-I221 PolarHBondContact N-O 3.11Å; I115-I221 PolarHBondContact O-N 2.94Å; I115-A223 HydrophobicContact CD1-CB 4.43Å
116	T	86.7	Confident	91.1	Very high	101 Å²	101	51.6 Å²	51.6	62%	0.62	25%	0.25	S	S	*	.	S	Bend	trans	-88.7	-12.9	-175.5	56.1	0	0	0	0	114.2	F114 P118 M150	F114-T116 PolarHBondContact O-N 3.35Å; T116-P118 VanDerWaalsContact C-CD 3.46Å; T116-M150 WeakPolarHBondContact O-CE 3.36Å
117	D	85.7	Confident	91.1	Very high	102 Å²	102	46.8 Å²	46.8	55%	0.545	23%	0.229	S	C	.	.	S	Bend	trans	-135.4	62.5	178.4	179.8	47.8	0	0	0	109.9	K109	K109-D117 IonicContact NZ-OD2 3.93Å; K109-D117 PolarHBondContact NZ-OD2 2.99Å
118	P	89.5	Confident	90.9	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.091	25%	0.25	C	S	.	.			trans	-71.5	156.4	173.5	32.5	-35.7	0	0	0	111	I115 T116 V120 M150 I221	I115-P118 HydrophobicContact CG2-CB 3.91Å; T116-P118 VanDerWaalsContact C-CD 3.46Å; P118-V120 HydrophobicContact CG-CG1 4.19Å; P118-V120 PolarHBondContact O-N 2.81Å; P118-M150 WeakPolarHBondContact CD-SD 3.24Å; P118-M150 HydrophobicContact CG-CE 4.14Å; P118-M150 HydrophobicContact CG-SD 3.5Å; P118-M150 WeakPolarHBondContact CG-SD 3.41Å; P118-I221 HydrophobicContact CB-CG2 3.6Å; P118-I221 HydrophobicContact CG-CG2 3.8Å
119	V	91.8	Very high	90.8	Very high	37 Å²	37	54.3 Å²	54.3	22%	0.224	26%	0.261	C	S	.	.			trans	-62.2	129.5	163.3	179.1	0	0	0	0	107.8	A133 F139 I142 P143	V119-A133 HydrophobicContact CG1-CB 4.39Å; V119-F139 HydrophobicContact CB-CE2 4.27Å; V119-F139 HydrophobicContact CB-CZ 4.3Å; V119-F139 HydrophobicContact CG2-CE2 4.31Å; V119-F139 HydrophobicContact CG2-CZ 3.87Å; V119-I142 HydrophobicContact CG1-CD1 4.29Å; V119-I142 HydrophobicContact CG1-CG2 4.45Å; V119-I142 WeakPolarHBondContact O-CG2 3.49Å; V119-P143 WeakPolarHBondContact O-CD 3.37Å
120	V	95.4	Very high	90.9	Very high	21 Å²	21	49 Å²	49	13%	0.127	24%	0.238	C	C	.	.			trans	-129.4	150.8	176.8	-66.5	0	0	0	0	109.4	P118 P143 T145 M150 L218	P118-V120 HydrophobicContact CG-CG1 4.19Å; P118-V120 PolarHBondContact O-N 2.81Å; V120-P143 WeakPolarHBondContact CA-O 3.45Å; V120-P143 HydrophobicContact CG1-CB 4.15Å; V120-P143 HydrophobicContact CG1-CG 4.35Å; V120-T145 HydrophobicContact CG1-CG2 4.45Å; V120-M150 HydrophobicContact CG1-CG 4.28Å; V120-M150 HydrophobicContact CG1-SD 3.57Å; V120-M150 VanDerWaalsContact CG1-SD 3.57Å; V120-M150 HydrophobicContact CG2-CG 4.24Å; V120-L218 HydrophobicContact CG1-CD2 3.75Å
121	L	96.2	Very high	91	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.12	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-129.2	164.9	178.5	-67	173.7	0	0	0	110.3	D125 V130 I142 P143 I144 T145 L175	L121-D125 WeakPolarHBondContact CA-OD2 3.16Å; L121-D125 HydrophobicContact CB-CB 4.4Å; L121-D125 WeakPolarHBondContact CB-OD2 3.47Å; L121-D125 WeakPolarHBondContact CD2-OD2 3.07Å; L121-V130 HydrophobicContact CD1-CG2 3.66Å; L121-I142 HydrophobicContact CB-CG2 4.34Å; L121-I142 HydrophobicContact CD1-CD1 4.29Å; L121-I142 HydrophobicContact CD1-CG2 4.03Å; L121-I142 HydrophobicContact CG-CG2 3.95Å; L121-P143 PolarHBondContact N-O 3.27Å; L121-I144 HydrophobicContact CB-CD1 3.93Å; L121-I144 VanDerWaalsContact O-CA 3.31Å; L121-I144 WeakPolarHBondContact O-CA 3.34Å; L121-I144 WeakPolarHBondContact O-CG2 3.5Å; L121-T145 PolarHBondContact O-N 3.42Å; L121-L175 HydrophobicContact CB-CD1 3.76Å; L121-L175 HydrophobicContact CD1-CD1 3.76Å; L121-L175 HydrophobicContact CG-CD1 4.41Å
122	S	97.1	Very high	91.4	Very high	15 Å²	15	51 Å²	51	11%	0.105	25%	0.25	C	C	.	.			trans	-91.7	152.8	174.9	-176.1	0	0	0	0	110.8	K124 D125 D146	S122-K124 PolarHBondContact O-N 2.93Å; S122-K124 VanDerWaalsContact O-N 3.08Å; S122-D125 PolarHBondContact N-OD2 3.01Å; S122-D125 WeakPolarHBondContact O-CB 3.38Å; S122-D125 PolarHBondContact O-N 3.4Å; S122-D146 PolarHBondContact OG-O 2.89Å
123	P	96.6	Very high	91.8	Very high	18 Å²	18	50.4 Å²	50.4	12%	0.117	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.5	172.1	-25.8	34.3	0	0	0	113.9	I144 T145 V155 L175 E176	P123-I144 HydrophobicContact CB-CG2 4.38Å; P123-I144 HydrophobicContact CG-CG2 3.76Å; P123-T145 VanDerWaalsContact CD-O 3.26Å; P123-T145 WeakPolarHBondContact CD-O 3.43Å; P123-V155 HydrophobicContact CG-CG2 3.56Å; P123-L175 PolarHBondContact O-N 2.96Å; P123-E176 HydrophobicContact CB-CB 3.82Å; P123-E176 PolarHBondContact O-N 3.5Å; P123-E176 VanDerWaalsContact O-N 3.1Å
124	K	96	Very high	92.1	Very high	165 Å²	165	53.5 Å²	53.5	72%	0.717	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.3	-179.9	-61.8	-177.6	-179.7	179	0	114.1	S122 L174	S122-K124 PolarHBondContact O-N 2.93Å; S122-K124 VanDerWaalsContact O-N 3.08Å; K124-L174 WeakPolarHBondContact O-CD2 3.28Å
125	D	96.2	Very high	92	Very high	50 Å²	50	54.7 Å²	54.7	27%	0.267	28%	0.282	S	S	.	.	S	Bend	trans	-71.1	170.4	172.6	-62.9	-25.1	0	0	0	109.3	L121 S122 L174 L175	L121-D125 WeakPolarHBondContact CA-OD2 3.16Å; L121-D125 HydrophobicContact CB-CB 4.4Å; L121-D125 WeakPolarHBondContact CB-OD2 3.47Å; L121-D125 WeakPolarHBondContact CD2-OD2 3.07Å; S122-D125 PolarHBondContact N-OD2 3.01Å; S122-D125 WeakPolarHBondContact O-CB 3.38Å; S122-D125 PolarHBondContact O-N 3.4Å; D125-L174 WeakPolarHBondContact O-CA 3.37Å; D125-L175 HydrophobicContact CB-CD1 3.98Å; D125-L175 HydrophobicContact CB-CG 4.25Å; D125-L175 WeakPolarHBondContact O-CG 3.19Å; D125-L175 PolarHBondContact O-N 3.14Å
126	R	95.3	Very high	91.6	Very high	99 Å²	99	62.1 Å²	62.1	37%	0.374	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-110.3	159.8	-176.3	-64.2	-180	177.6	-153.6	-3.3	111.7	R128 D129 D172 C173 L175	R126-R128 HydrophobicContact CB-CG 3.58Å; R126-R128 VanDerWaalsContact NH1-NH2 3.14Å; R126-R128 PolarHBondContact O-N 3.22Å; R126-D129 PolarHBondContact N-OD2 3.21Å; R126-D129 WeakPolarHBondContact O-CB 3.5Å; R126-D129 PolarHBondContact O-N 3.28Å; R126-D172 IonicContact NH1-OD1 3.03Å; R126-D172 PolarHBondContact NH1-OD1 2.77Å; R126-D172 IonicContact NH1-OD2 3.46Å; R126-D172 PolarHBondContact NH1-OD2 2.74Å; R126-D172 VanDerWaalsContact NH1-OD2 3.12Å; R126-C173 WeakPolarHBondContact CA-O 3.39Å; R126-L175 WeakPolarHBondContact O-CD2 3.22Å
127	V	93.8	Very high	91.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-36.6	175.9	175	0	0	0	0	111.9	D129 V130 F131 I163 L166 H171 C173 L175 I178	V127-D129 PolarHBondContact O-N 2.83Å; V127-V130 WeakPolarHBondContact O-CB 3.49Å; V127-V130 PolarHBondContact O-N 3.05Å; V127-F131 HydrophobicContact CG1-CD2 3.95Å; V127-F131 HydrophobicContact CG1-CE2 3.51Å; V127-F131 HydrophobicContact CG1-CZ 4.35Å; V127-F131 WeakPolarHBondContact O-CD2 3.28Å; V127-F131 PolarHBondContact O-N 3.05Å; V127-F131 VanDerWaalsContact O-N 3.17Å; V127-I163 HydrophobicContact CG1-CB 4.36Å; V127-I163 HydrophobicContact CG1-CG2 4.08Å; V127-L166 HydrophobicContact CG1-CD1 3.78Å; V127-L166 HydrophobicContact CG2-CD1 4.05Å; V127-H171 PolarHBondContact N-O 2.88Å; V127-C173 HydrophobicContact CG2-CB 4.46Å; V127-C173 PolarHBondContact N-O 2.9Å; V127-L175 HydrophobicContact CG2-CD2 4.1Å; V127-I178 HydrophobicContact CG2-CD1 3.42Å; V127-I178 VanDerWaalsContact CG2-CD1 3.42Å
128	R	93.3	Very high	91.1	Very high	117 Å²	117	60.5 Å²	60.5	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-52.9	-35	172.6	57.7	165.4	86.6	-175.7	4.6	113.8	R126 V130 F131 E132 H171 D172	R126-R128 HydrophobicContact CB-CG 3.58Å; R126-R128 VanDerWaalsContact NH1-NH2 3.14Å; R126-R128 PolarHBondContact O-N 3.22Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 3.47Å; R128-F131 PolarHBondContact O-N 3.17Å; R128-E132 PolarHBondContact O-N 3.2Å; R128-H171 PolarHBondContact N-O 3.17Å; R128-D172 IonicContact CZ-OD1 3.83Å; R128-D172 IonicContact NE-OD1 2.77Å; R128-D172 PolarHBondContact NE-OD1 3.19Å; R128-D172 IonicContact NH2-OD1 2.78Å; R128-D172 PolarHBondContact NH2-OD1 2.79Å; R128-D172 IonicContact NH2-OD2 3.58Å; R128-D172 PolarHBondContact NH2-OD2 2.65Å
129	D	92.9	Very high	90.8	Very high	47 Å²	47	63.7 Å²	63.7	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-71.6	-31.8	-178.5	-53.9	-41	0	0	0	110.4	R126 V127 E132 A133	R126-D129 PolarHBondContact N-OD2 3.21Å; R126-D129 WeakPolarHBondContact O-CB 3.5Å; R126-D129 PolarHBondContact O-N 3.28Å; V127-D129 PolarHBondContact O-N 2.83Å; D129-E132 PolarHBondContact O-N 2.8Å; D129-A133 WeakPolarHBondContact O-CB 3.47Å; D129-A133 PolarHBondContact O-N 3.49Å
130	V	92.4	Very high	90.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-41.5	171.3	-177.5	0	0	0	0	110.8	L121 V127 R128 A133 K134 I142 I158 I163 L175	L121-V130 HydrophobicContact CD1-CG2 3.66Å; V127-V130 WeakPolarHBondContact O-CB 3.49Å; V127-V130 PolarHBondContact O-N 3.05Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 3.47Å; V130-A133 PolarHBondContact O-N 3.22Å; V130-K134 WeakPolarHBondContact O-CB 3.39Å; V130-K134 PolarHBondContact O-N 3.17Å; V130-I142 HydrophobicContact CG1-CD1 4.15Å; V130-I158 HydrophobicContact CG1-CG2 4.03Å; V130-I158 HydrophobicContact CG2-CD1 4.37Å; V130-I158 HydrophobicContact CG2-CG2 4.37Å; V130-I163 HydrophobicContact CB-CD1 4.42Å; V130-I163 HydrophobicContact CG1-CD1 3.73Å; V130-L175 HydrophobicContact CG2-CD1 3.93Å; V130-L175 HydrophobicContact CG2-CD2 3.73Å; V130-L175 HydrophobicContact CG2-CG 4.5Å
131	F	90.9	Very high	90.1	Very high	59 Å²	59	62 Å²	62	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-39.7	175.5	-73.4	-60.8	0	0	0	112.2	V127 R128 K134 A135 I163 H171	V127-F131 HydrophobicContact CG1-CD2 3.95Å; V127-F131 HydrophobicContact CG1-CE2 3.51Å; V127-F131 HydrophobicContact CG1-CZ 4.35Å; V127-F131 WeakPolarHBondContact O-CD2 3.28Å; V127-F131 PolarHBondContact O-N 3.05Å; V127-F131 VanDerWaalsContact O-N 3.17Å; R128-F131 PolarHBondContact O-N 3.17Å; F131-K134 PolarHBondContact O-N 3.21Å; F131-A135 WeakPolarHBondContact O-CB 3.45Å; F131-A135 PolarHBondContact O-N 2.87Å; F131-I163 HydrophobicContact CD1-CD1 3.98Å; F131-I163 HydrophobicContact CE1-CD1 3.58Å; F131-I163 HydrophobicContact CE1-CG1 4.16Å; F131-I163 HydrophobicContact CE2-CD1 4.47Å; F131-I163 HydrophobicContact CZ-CB 4.2Å; F131-I163 HydrophobicContact CZ-CD1 3.85Å; F131-I163 HydrophobicContact CZ-CG1 4.19Å; F131-H171 AromaticContact CE2-CD2 3.62Å; F131-H171 AromaticContact CE2-CE1 3.77Å; F131-H171 AromaticContact CE2-NE2 3.43Å; F131-H171 WeakPolarHBondContact CE2-NE2 3.38Å; F131-H171 AromaticContact CZ-NE2 3.91Å
132	E	90.6	Very high	90.1	Very high	84 Å²	84	60.9 Å²	60.9	39%	0.393	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-44.4	174.1	-173.9	176	169.8	0	0	111.3	R128 D129 K134 A135 R136	R128-E132 PolarHBondContact O-N 3.2Å; D129-E132 PolarHBondContact O-N 2.8Å; E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 3.17Å; E132-A135 PolarHBondContact O-N 3.13Å; E132-R136 WeakPolarHBondContact O-CB 3.1Å; E132-R136 WeakPolarHBondContact O-CG 3.43Å; E132-R136 PolarHBondContact O-N 3.03Å; E132-R136 IonicContact OE1-CZ 2.91Å; E132-R136 IonicContact OE1-NE 3.12Å; E132-R136 IonicContact OE1-NH1 2.78Å; E132-R136 PolarHBondContact OE1-NH1 3.32Å; E132-R136 IonicContact OE1-NH2 2.58Å; E132-R136 PolarHBondContact OE1-NH2 3.29Å
133	A	88.3	Confident	90	Very high	10 Å²	10	60.2 Å²	60.2	8%	0.083	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-42	173.6	0	0	0	0	0	111.8	V119 D129 V130 A135 R136 H137 I142	V119-A133 HydrophobicContact CG1-CB 4.39Å; D129-A133 WeakPolarHBondContact O-CB 3.47Å; D129-A133 PolarHBondContact O-N 3.49Å; V130-A133 PolarHBondContact O-N 3.22Å; A133-A135 PolarHBondContact O-N 2.94Å; A133-R136 PolarHBondContact O-N 3.21Å; A133-H137 WeakPolarHBondContact O-CB 3.47Å; A133-H137 PolarHBondContact O-CD2 2.99Å; A133-H137 VanDerWaalsContact O-CD2 3.3Å; A133-H137 PolarHBondContact O-N 2.78Å; A133-I142 HydrophobicContact CB-CD1 3.65Å
134	K	88.1	Confident	90	Very high	73 Å²	73	59.3 Å²	59.3	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-41.4	175.4	-175.7	-179.1	-179.5	178.9	0	111.5	V130 F131 E132 G138 F139 C140 D164	V130-K134 WeakPolarHBondContact O-CB 3.39Å; V130-K134 PolarHBondContact O-N 3.17Å; F131-K134 PolarHBondContact O-N 3.21Å; E132-K134 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 3.17Å; K134-G138 WeakPolarHBondContact O-CA 3.45Å; K134-G138 PolarHBondContact O-N 3.07Å; K134-F139 WeakPolarHBondContact CA-O 3.35Å; K134-C140 HydrophobicContact CD-CB 4.16Å; K134-C140 HydrophobicContact CG-CB 4.41Å; K134-D164 IonicContact NZ-OD1 2.72Å
135	A	85.8	Confident	90.1	Very high	90 Å²	90	51.5 Å²	51.5	74%	0.744	26%	0.263	S	S	*	.	H	α-helix	trans	-67.9	-40.1	177.5	0	0	0	0	0	112.3	F131 E132 A133	F131-A135 WeakPolarHBondContact O-CB 3.45Å; F131-A135 PolarHBondContact O-N 2.87Å; E132-A135 PolarHBondContact O-N 3.13Å; A133-A135 PolarHBondContact O-N 2.94Å
136	R	81.3	Confident	90.1	Very high	180 Å²	180	52.3 Å²	52.3	68%	0.679	27%	0.267	S	S	*	.	H	α-helix	trans	-75.4	-39.2	179.6	-75.3	-177.5	174.7	152.2	7.7	113.8	E132 A133	E132-R136 WeakPolarHBondContact O-CB 3.1Å; E132-R136 WeakPolarHBondContact O-CG 3.43Å; E132-R136 PolarHBondContact O-N 3.03Å; E132-R136 IonicContact OE1-CZ 2.91Å; E132-R136 IonicContact OE1-NE 3.12Å; E132-R136 IonicContact OE1-NH1 2.78Å; E132-R136 PolarHBondContact OE1-NH1 3.32Å; E132-R136 IonicContact OE1-NH2 2.58Å; E132-R136 PolarHBondContact OE1-NH2 3.29Å; A133-R136 PolarHBondContact O-N 3.21Å
137	H	80.2	Confident	90	Very high	100 Å²	100	51.2 Å²	51.2	46%	0.463	27%	0.272	S	S	.	.	H	α-helix	trans	-112.5	-13.7	-169.1	-56.5	-65	0	0	0	114.3	A133 F139	A133-H137 WeakPolarHBondContact O-CB 3.47Å; A133-H137 PolarHBondContact O-CD2 2.99Å; A133-H137 VanDerWaalsContact O-CD2 3.3Å; A133-H137 PolarHBondContact O-N 2.78Å; H137-F139 HydrophobicContact CB-CD1 3.88Å; H137-F139 HydrophobicContact CB-CE1 3.46Å; H137-F139 VanDerWaalsContact CB-CE1 3.46Å; H137-F139 HydrophobicContact CB-CZ 3.86Å; H137-F139 WeakPolarHBondContact O-CD1 3.41Å; H137-F139 PolarHBondContact O-N 2.88Å
138	G	80.8	Confident	90	Very high	68 Å²	68	52.2 Å²	52.2	70%	0.701	28%	0.282	S	S	*	.	S	Bend	trans	78.7	10.7	176.4	0	0	0	0	0	115.3	K134	K134-G138 WeakPolarHBondContact O-CA 3.45Å; K134-G138 PolarHBondContact O-N 3.07Å
139	F	83.3	Confident	90	Very high	81 Å²	81	55.6 Å²	55.6	36%	0.355	30%	0.295	S	S	.	.			trans	-138.6	157.4	178.2	62.4	-100.9	0	0	0	112.3	V119 K134 H137 I142	V119-F139 HydrophobicContact CB-CE2 4.27Å; V119-F139 HydrophobicContact CB-CZ 4.3Å; V119-F139 HydrophobicContact CG2-CE2 4.31Å; V119-F139 HydrophobicContact CG2-CZ 3.87Å; K134-F139 WeakPolarHBondContact CA-O 3.35Å; H137-F139 HydrophobicContact CB-CD1 3.88Å; H137-F139 HydrophobicContact CB-CE1 3.46Å; H137-F139 VanDerWaalsContact CB-CE1 3.46Å; H137-F139 HydrophobicContact CB-CZ 3.86Å; H137-F139 WeakPolarHBondContact O-CD1 3.41Å; H137-F139 PolarHBondContact O-N 2.88Å; F139-I142 HydrophobicContact CE2-CG1 4.48Å
140	C	83.6	Confident	90	Very high	10 Å²	10	55.9 Å²	55.9	7%	0.068	30%	0.295	C	S	.	.			trans	-124.6	-1.4	-173.3	-161.9	0	0	0	0	114.2	K134 I142 I158 S159 I163	K134-C140 HydrophobicContact CD-CB 4.16Å; K134-C140 HydrophobicContact CG-CB 4.41Å; C140-I142 PolarHBondContact O-N 3.1Å; C140-I158 CarbonylContact O-C 3.52Å; C140-S159 WeakPolarHBondContact O-CA 3.47Å; C140-I163 WeakPolarHBondContact SG-CD1 3.44Å
141	G	89.9	Confident	90	Very high	12 Å²	12	57.6 Å²	57.6	12%	0.124	31%	0.313	C	S	.	.			trans	-85.5	83.6	178.5	0	0	0	0	0	111.2	I158 K208	G141-I158 CarbonylContact C-O 3.54Å; G141-I158 VanDerWaalsContact CA-O 3.27Å; G141-I158 WeakPolarHBondContact CA-O 3.37Å; G141-K208 PolarHBondContact O-NZ 3.48Å
142	I	94.9	Very high	90.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.4	-169.1	-60.4	-176.2	0	0	0	109.9	V119 L121 V130 A133 F139 C140 I157 I158	V119-I142 HydrophobicContact CG1-CD1 4.29Å; V119-I142 HydrophobicContact CG1-CG2 4.45Å; V119-I142 WeakPolarHBondContact O-CG2 3.49Å; L121-I142 HydrophobicContact CB-CG2 4.34Å; L121-I142 HydrophobicContact CD1-CD1 4.29Å; L121-I142 HydrophobicContact CD1-CG2 4.03Å; L121-I142 HydrophobicContact CG-CG2 3.95Å; V130-I142 HydrophobicContact CG1-CD1 4.15Å; A133-I142 HydrophobicContact CB-CD1 3.65Å; F139-I142 HydrophobicContact CE2-CG1 4.48Å; C140-I142 PolarHBondContact O-N 3.1Å; I142-I157 WeakPolarHBondContact O-CG1 3.17Å; I142-I158 PolarHBondContact N-O 3.35Å; I142-I158 PolarHBondContact O-N 3.02Å
143	P	96.1	Very high	90.6	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.4	171.3	-17.8	31.8	0	0	0	112	V119 V120 L121 L154 L218 I221	V119-P143 WeakPolarHBondContact O-CD 3.37Å; V120-P143 WeakPolarHBondContact CA-O 3.45Å; V120-P143 HydrophobicContact CG1-CB 4.15Å; V120-P143 HydrophobicContact CG1-CG 4.35Å; L121-P143 PolarHBondContact N-O 3.27Å; P143-L154 HydrophobicContact CB-CD1 3.97Å; P143-L218 HydrophobicContact CB-CD2 3.52Å; P143-L218 HydrophobicContact CG-CD2 3.85Å; P143-I221 HydrophobicContact CG-CD1 3.59Å
144	I	97.3	Very high	91	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.2	174.4	-47.9	-55.3	0	0	0	108.1	L121 P123 V155 G156 I158 L175 M179	L121-I144 HydrophobicContact CB-CD1 3.93Å; L121-I144 VanDerWaalsContact O-CA 3.31Å; L121-I144 WeakPolarHBondContact O-CA 3.34Å; L121-I144 WeakPolarHBondContact O-CG2 3.5Å; P123-I144 HydrophobicContact CB-CG2 4.38Å; P123-I144 HydrophobicContact CG-CG2 3.76Å; I144-V155 HydrophobicContact CB-CG2 4.2Å; I144-V155 HydrophobicContact CG2-CG2 3.79Å; I144-V155 VanDerWaalsContact O-CG2 3.3Å; I144-V155 WeakPolarHBondContact O-CG2 3.47Å; I144-V155 PolarHBondContact O-N 3.47Å; I144-G156 PolarHBondContact N-O 3.09Å; I144-G156 PolarHBondContact O-N 2.81Å; I144-I158 HydrophobicContact CD1-CD1 4.46Å; I144-I158 HydrophobicContact CD1-CG1 4.33Å; I144-I158 HydrophobicContact CG1-CG1 4.34Å; I144-L175 HydrophobicContact CD1-CD1 3.63Å; I144-M179 HydrophobicContact CB-SD 3.77Å; I144-M179 HydrophobicContact CG1-CB 4.27Å; I144-M179 HydrophobicContact CG1-SD 3.85Å; I144-M179 HydrophobicContact CG2-SD 3.73Å
145	T	97	Very high	91.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.6	177.5	56.5	0	0	0	0	108.9	V120 L121 P123 T147 G148 R149 R153 L218	V120-T145 HydrophobicContact CG1-CG2 4.45Å; L121-T145 PolarHBondContact O-N 3.42Å; P123-T145 VanDerWaalsContact CD-O 3.26Å; P123-T145 WeakPolarHBondContact CD-O 3.43Å; T145-T147 PolarHBondContact O-N 3.18Å; T145-T147 VanDerWaalsContact O-N 3.1Å; T145-G148 PolarHBondContact O-N 3.3Å; T145-G148 VanDerWaalsContact OG1-CA 3.24Å; T145-G148 WeakPolarHBondContact OG1-CA 3.33Å; T145-G148 PolarHBondContact OG1-N 3.25Å; T145-R149 PolarHBondContact OG1-N 3.22Å; T145-R149 PolarHBondContact OG1-O 2.93Å; T145-R153 VanDerWaalsContact CA-O 3.29Å; T145-R153 WeakPolarHBondContact CA-O 3.46Å; T145-L218 HydrophobicContact CG2-CB 4.11Å; T145-L218 HydrophobicContact CG2-CD2 4.02Å
146	D	95.6	Very high	91.9	Very high	67 Å²	67	51.3 Å²	51.3	36%	0.358	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-41.9	-177.7	62.1	-14.5	0	0	0	114.4	S122 S152 R153 V155	S122-D146 PolarHBondContact OG-O 2.89Å; D146-S152 WeakPolarHBondContact OD1-CB 3.26Å; D146-R153 PolarHBondContact N-O 3.48Å; D146-R153 PolarHBondContact OD1-N 3.46Å; D146-V155 HydrophobicContact CB-CG1 4.16Å
147	T	94.5	Very high	92.7	Very high	77 Å²	77	43.6 Å²	43.6	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-7.1	179.6	73.2	0	0	0	0	114.5	T145 R149 S152	T145-T147 PolarHBondContact O-N 3.18Å; T145-T147 VanDerWaalsContact O-N 3.1Å; T147-R149 VanDerWaalsContact C-N 3.33Å; T147-R149 WeakPolarHBondContact OG1-CB 3.5Å; T147-R149 PolarHBondContact OG1-N 2.8Å; T147-S152 WeakPolarHBondContact OG1-CB 3.36Å; T147-S152 PolarHBondContact OG1-OG 2.77Å
148	G	93.3	Very high	93.4	Very high	20 Å²	20	38.9 Å²	38.9	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	71.4	25.2	-169.7	0	0	0	0	0	113.9	T145	T145-G148 PolarHBondContact O-N 3.3Å; T145-G148 VanDerWaalsContact OG1-CA 3.24Å; T145-G148 WeakPolarHBondContact OG1-CA 3.33Å; T145-G148 PolarHBondContact OG1-N 3.25Å
149	R	93.6	Very high	94	Very high	188 Å²	188	37.4 Å²	37.4	71%	0.709	20%	0.196	S	C	*	.	S	Bend	trans	-129.5	145.2	179.5	-58.8	-179.2	179.7	179.6	-0.1	111.5	T145 T147 S152	T145-R149 PolarHBondContact OG1-N 3.22Å; T145-R149 PolarHBondContact OG1-O 2.93Å; T147-R149 VanDerWaalsContact C-N 3.33Å; T147-R149 WeakPolarHBondContact OG1-CB 3.5Å; T147-R149 PolarHBondContact OG1-N 2.8Å; R149-S152 WeakPolarHBondContact O-CB 3.29Å; R149-S152 PolarHBondContact O-N 2.87Å; R149-S152 PolarHBondContact O-OG 3.34Å
150	M	93.5	Very high	94.3	Very high	53 Å²	53	35.7 Å²	35.7	26%	0.261	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	146.7	171.5	-80.3	-58	-62.3	0	0	111.5	T116 P118 V120 S152 L218	T116-M150 WeakPolarHBondContact O-CE 3.36Å; P118-M150 WeakPolarHBondContact CD-SD 3.24Å; P118-M150 HydrophobicContact CG-CE 4.14Å; P118-M150 HydrophobicContact CG-SD 3.5Å; P118-M150 WeakPolarHBondContact CG-SD 3.41Å; V120-M150 HydrophobicContact CG1-CG 4.28Å; V120-M150 HydrophobicContact CG1-SD 3.57Å; V120-M150 VanDerWaalsContact CG1-SD 3.57Å; V120-M150 HydrophobicContact CG2-CG 4.24Å; M150-S152 PolarHBondContact O-N 2.85Å; M150-L218 HydrophobicContact CE-CD2 4.26Å; M150-L218 HydrophobicContact CE-CG 4.05Å; M150-L218 WeakPolarHBondContact CE-O 3.38Å; M150-L218 HydrophobicContact SD-CD2 3.64Å; M150-L218 HydrophobicContact SD-CG 4.08Å
151	G	92.6	Very high	94.7	Very high	37 Å²	37	45.2 Å²	45.2	38%	0.381	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	10.7	-174.5	0	0	0	0	0	114.4	L218	G151-L218 WeakPolarHBondContact CA-O 3.15Å; G151-L218 PolarHBondContact N-O 3.21Å; G151-L218 VanDerWaalsContact N-O 3.1Å
152	S	95.5	Very high	94.7	Very high	20 Å²	20	46.9 Å²	46.9	14%	0.14	23%	0.234	C	C	.	.	S	Bend	trans	-103.9	167.7	171	-36.9	0	0	0	0	110.9	D146 T147 R149 M150 L154 E217 L218	D146-S152 WeakPolarHBondContact OD1-CB 3.26Å; T147-S152 WeakPolarHBondContact OG1-CB 3.36Å; T147-S152 PolarHBondContact OG1-OG 2.77Å; R149-S152 WeakPolarHBondContact O-CB 3.29Å; R149-S152 PolarHBondContact O-N 2.87Å; R149-S152 PolarHBondContact O-OG 3.34Å; M150-S152 PolarHBondContact O-N 2.85Å; S152-L154 PolarHBondContact O-N 2.9Å; S152-E217 WeakPolarHBondContact O-CA 3.17Å; S152-L218 PolarHBondContact O-N 3.45Å
153	R	96.9	Very high	94.5	Very high	138 Å²	138	46.9 Å²	46.9	52%	0.521	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-61.4	127.2	-172.6	-168.5	176.4	65.5	161.7	3	111.2	T145 D146 V155 D216	T145-R153 VanDerWaalsContact CA-O 3.29Å; T145-R153 WeakPolarHBondContact CA-O 3.46Å; D146-R153 PolarHBondContact N-O 3.48Å; D146-R153 PolarHBondContact OD1-N 3.46Å; R153-V155 PolarHBondContact O-N 3.12Å; R153-D216 WeakPolarHBondContact CA-O 3.43Å; R153-D216 HydrophobicContact CG-CB 4.29Å
154	L	97.3	Very high	94.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.8	176.9	-177.8	70	0	0	0	109.8	P143 S152 G156 R182 L185 V187 P210 V212 D216 L218	P143-L154 HydrophobicContact CB-CD1 3.97Å; S152-L154 PolarHBondContact O-N 2.9Å; L154-G156 WeakPolarHBondContact CD1-O 3.47Å; L154-R182 WeakPolarHBondContact O-CD 3.21Å; L154-L185 HydrophobicContact CD2-CD1 4.16Å; L154-L185 HydrophobicContact CG-CD1 4.46Å; L154-V187 HydrophobicContact CD2-CG1 3.88Å; L154-P210 HydrophobicContact CD2-CB 3.57Å; L154-P210 HydrophobicContact CD2-CG 4Å; L154-V212 HydrophobicContact CB-CG1 4.1Å; L154-V212 HydrophobicContact CD2-CG1 3.78Å; L154-D216 PolarHBondContact N-O 3.37Å; L154-L218 HydrophobicContact CD1-CD1 4.34Å; L154-L218 HydrophobicContact CD1-CD2 4.45Å
155	V	97.2	Very high	93.7	Very high	24 Å²	24	59.9 Å²	59.9	15%	0.145	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-14.7	-178.4	-64.6	0	0	0	0	113.4	P123 I144 D146 R153 M179 R182	P123-V155 HydrophobicContact CG-CG2 3.56Å; I144-V155 HydrophobicContact CB-CG2 4.2Å; I144-V155 HydrophobicContact CG2-CG2 3.79Å; I144-V155 VanDerWaalsContact O-CG2 3.3Å; I144-V155 WeakPolarHBondContact O-CG2 3.47Å; I144-V155 PolarHBondContact O-N 3.47Å; D146-V155 HydrophobicContact CB-CG1 4.16Å; R153-V155 PolarHBondContact O-N 3.12Å; V155-M179 HydrophobicContact CB-CE 4.4Å; V155-M179 HydrophobicContact CG2-CE 4.27Å; V155-M179 WeakPolarHBondContact O-CE 3.34Å; V155-R182 PolarHBondContact O-N 3.47Å; V155-R182 VanDerWaalsContact O-N 3.15Å
156	G	96.6	Very high	93.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-174.7	176.1	0	0	0	0	0	113.8	I144 L154 T180	I144-G156 PolarHBondContact N-O 3.09Å; I144-G156 PolarHBondContact O-N 2.81Å; L154-G156 WeakPolarHBondContact CD1-O 3.47Å; G156-T180 CarbonylContact C-O 3.59Å; G156-T180 WeakPolarHBondContact CA-O 3.39Å
157	I	96.1	Very high	93.1	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.097	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.8	169.1	-159.4	172.3	0	0	0	109.6	I142 T180 L185 K208 P210 I221	I142-I157 WeakPolarHBondContact O-CG1 3.17Å; I157-T180 PolarHBondContact N-O 3.5Å; I157-T180 VanDerWaalsContact N-O 3.08Å; I157-T180 PolarHBondContact O-N 3.37Å; I157-L185 HydrophobicContact CB-CD1 4.34Å; I157-L185 HydrophobicContact CB-CD2 4.29Å; I157-L185 HydrophobicContact CG2-CD1 4.43Å; I157-L185 HydrophobicContact CG2-CD2 3.5Å; I157-K208 HydrophobicContact CD1-CB 3.76Å; I157-K208 HydrophobicContact CD1-CG 4.16Å; I157-P210 HydrophobicContact CD1-CG 4.45Å; I157-I221 HydrophobicContact CD1-CD1 4.03Å
158	I	95.1	Very high	92.7	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.7	167.1	-73.4	-172.2	0	0	0	109.6	V130 C140 G141 I142 I144 I163 L175 M179	V130-I158 HydrophobicContact CG1-CG2 4.03Å; V130-I158 HydrophobicContact CG2-CD1 4.37Å; V130-I158 HydrophobicContact CG2-CG2 4.37Å; C140-I158 CarbonylContact O-C 3.52Å; G141-I158 CarbonylContact C-O 3.54Å; G141-I158 VanDerWaalsContact CA-O 3.27Å; G141-I158 WeakPolarHBondContact CA-O 3.37Å; I142-I158 PolarHBondContact N-O 3.35Å; I142-I158 PolarHBondContact O-N 3.02Å; I144-I158 HydrophobicContact CD1-CD1 4.46Å; I144-I158 HydrophobicContact CD1-CG1 4.33Å; I144-I158 HydrophobicContact CG1-CG1 4.34Å; I158-I163 HydrophobicContact CG2-CG2 4.01Å; I158-L175 HydrophobicContact CD1-CB 3.89Å; I158-L175 HydrophobicContact CD1-CD1 4.12Å; I158-L175 HydrophobicContact CD1-CD2 3.56Å; I158-L175 HydrophobicContact CD1-CG 4.01Å; I158-M179 HydrophobicContact CD1-CB 4.09Å; I158-M179 HydrophobicContact CG1-CB 3.62Å
159	S	93.1	Very high	92.4	Very high	37 Å²	37	76.9 Å²	76.9	26%	0.259	36%	0.36	S	S	.	.			trans	-127.6	171.7	174.5	78.3	0	0	0	0	110.5	C140 R161 D162	C140-S159 WeakPolarHBondContact O-CA 3.47Å; S159-R161 PolarHBondContact O-N 3.08Å; S159-R161 PolarHBondContact OG-N 3.19Å; S159-D162 WeakPolarHBondContact CA-OD2 3.34Å; S159-D162 WeakPolarHBondContact CB-OD2 3.29Å; S159-D162 PolarHBondContact N-OD2 2.8Å; S159-D162 PolarHBondContact O-N 2.96Å; S159-D162 PolarHBondContact OG-OD2 3.12Å
160	S	90.7	Very high	92	Very high	45 Å²	45	71.4 Å²	71.4	32%	0.315	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-36	177.4	68.9	0	0	0	0	112	D162 I163 D164	S160-D162 PolarHBondContact O-N 3.34Å; S160-D162 VanDerWaalsContact O-N 3.15Å; S160-I163 PolarHBondContact O-N 2.96Å; S160-D164 VanDerWaalsContact C-CG 3.48Å; S160-D164 VanDerWaalsContact C-OD2 3.29Å; S160-D164 WeakPolarHBondContact CB-OD2 3.48Å; S160-D164 VanDerWaalsContact O-CB 3.29Å; S160-D164 WeakPolarHBondContact O-CB 3.49Å; S160-D164 PolarHBondContact O-N 3.35Å; S160-D164 VanDerWaalsContact O-OD2 3.1Å; S160-D164 PolarHBondContact OG-OD2 2.81Å
161	R	90.9	Very high	91.9	Very high	211 Å²	211	71.1 Å²	71.1	80%	0.796	34%	0.341	S	S	*	.	H	α-helix	trans	-62.5	-26.2	-177.7	-64.5	-178.5	-179.3	-176.5	-2.8	113.5	S159 I163	S159-R161 PolarHBondContact O-N 3.08Å; S159-R161 PolarHBondContact OG-N 3.19Å; R161-I163 VanDerWaalsContact C-N 3.33Å
162	D	91	Very high	91.9	Very high	46 Å²	46	72.9 Å²	72.9	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-80.2	-21.7	-177.9	-48.2	-50.8	0	0	0	111	S159 S160 I178	S159-D162 WeakPolarHBondContact CA-OD2 3.34Å; S159-D162 WeakPolarHBondContact CB-OD2 3.29Å; S159-D162 PolarHBondContact N-OD2 2.8Å; S159-D162 PolarHBondContact O-N 2.96Å; S159-D162 PolarHBondContact OG-OD2 3.12Å; S160-D162 PolarHBondContact O-N 3.34Å; S160-D162 VanDerWaalsContact O-N 3.15Å; D162-I178 HydrophobicContact CB-CG2 4.23Å; D162-I178 WeakPolarHBondContact O-CG2 3.48Å
163	I	90.4	Very high	91.7	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-119.9	-14.5	-174.4	70.5	170.4	0	0	0	115	V127 V130 F131 C140 I158 S160 R161 F165 L166	V127-I163 HydrophobicContact CG1-CB 4.36Å; V127-I163 HydrophobicContact CG1-CG2 4.08Å; V130-I163 HydrophobicContact CB-CD1 4.42Å; V130-I163 HydrophobicContact CG1-CD1 3.73Å; F131-I163 HydrophobicContact CD1-CD1 3.98Å; F131-I163 HydrophobicContact CE1-CD1 3.58Å; F131-I163 HydrophobicContact CE1-CG1 4.16Å; F131-I163 HydrophobicContact CE2-CD1 4.47Å; F131-I163 HydrophobicContact CZ-CB 4.2Å; F131-I163 HydrophobicContact CZ-CD1 3.85Å; F131-I163 HydrophobicContact CZ-CG1 4.19Å; C140-I163 WeakPolarHBondContact SG-CD1 3.44Å; I158-I163 HydrophobicContact CG2-CG2 4.01Å; S160-I163 PolarHBondContact O-N 2.96Å; R161-I163 VanDerWaalsContact C-N 3.33Å; I163-F165 PolarHBondContact O-N 3.29Å; I163-F165 VanDerWaalsContact O-N 3.1Å; I163-L166 HydrophobicContact CB-CD1 3.93Å; I163-L166 HydrophobicContact CG2-CD1 3.95Å; I163-L166 PolarHBondContact O-N 3.41Å
164	D	87.9	Confident	91.6	Very high	81 Å²	81	69.6 Å²	69.6	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.3	-171	-77.8	-24.2	0	0	0	113.4	K134 S160	K134-D164 IonicContact NZ-OD1 2.72Å; S160-D164 VanDerWaalsContact C-CG 3.48Å; S160-D164 VanDerWaalsContact C-OD2 3.29Å; S160-D164 WeakPolarHBondContact CB-OD2 3.48Å; S160-D164 VanDerWaalsContact O-CB 3.29Å; S160-D164 WeakPolarHBondContact O-CB 3.49Å; S160-D164 PolarHBondContact O-N 3.35Å; S160-D164 VanDerWaalsContact O-OD2 3.1Å; S160-D164 PolarHBondContact OG-OD2 2.81Å
165	F	89.9	Confident	91.5	Very high	193 Å²	193	69.5 Å²	69.5	85%	0.846	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	9.6	-179.2	-61.6	-67.6	0	0	0	114.3	I163	I163-F165 PolarHBondContact O-N 3.29Å; I163-F165 VanDerWaalsContact O-N 3.1Å
166	L	89.5	Confident	91.4	Very high	38 Å²	38	72.3 Å²	72.3	20%	0.199	35%	0.346	C	S	.	.			trans	-71.1	140.7	174.7	-65.6	175.6	0	0	0	110.1	V127 I163 E170 I178	V127-L166 HydrophobicContact CG1-CD1 3.78Å; V127-L166 HydrophobicContact CG2-CD1 4.05Å; I163-L166 HydrophobicContact CB-CD1 3.93Å; I163-L166 HydrophobicContact CG2-CD1 3.95Å; I163-L166 PolarHBondContact O-N 3.41Å; L166-E170 HydrophobicContact CB-CB 4.22Å; L166-E170 HydrophobicContact CD2-CB 4.21Å; L166-I178 HydrophobicContact CD1-CD1 3.88Å; L166-I178 HydrophobicContact CD1-CG2 4.43Å; L166-I178 HydrophobicContact CD2-CD1 4.47Å
167	K	89.8	Confident	91.2	Very high	142 Å²	142	78.3 Å²	78.3	62%	0.617	37%	0.374	S	S	*	.			trans	-78.1	160.5	172.6	-62.5	175.2	-177.9	174	0	110.1	E169 E170 H171	K167-E169 PolarHBondContact O-N 3.15Å; K167-E169 VanDerWaalsContact O-N 3.13Å; K167-E170 WeakPolarHBondContact CB-OE2 3.28Å; K167-E170 PolarHBondContact N-OE2 2.9Å; K167-E170 WeakPolarHBondContact O-CA 3.45Å; K167-E170 WeakPolarHBondContact O-CB 3.14Å; K167-E170 PolarHBondContact O-N 3.33Å; K167-H171 PolarHBondContact O-CD2 3.2Å
168	E	85.4	Confident	91.1	Very high	167 Å²	167	79.3 Å²	79.3	78%	0.78	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.9	178.7	-70	-172.7	164.3	0	0	113.2	E170 H171	E168-E170 PolarHBondContact O-N 3.15Å; E168-H171 WeakPolarHBondContact O-CB 3.4Å; E168-H171 PolarHBondContact O-N 3.28Å
169	E	86.5	Confident	91.1	Very high	173 Å²	173	80.1 Å²	80.1	81%	0.808	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-62.8	-28.7	176	-61.2	168.8	-156	0	0	112.5	K167 H171	K167-E169 PolarHBondContact O-N 3.15Å; K167-E169 VanDerWaalsContact O-N 3.13Å; E169-H171 VanDerWaalsContact C-N 3.35Å
170	E	86.6	Confident	91.2	Very high	73 Å²	73	80.4 Å²	80.4	34%	0.341	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-89.5	-2	-178.3	-60.1	172.2	102.7	0	0	112.1	L166 K167 E168 D172 C173	L166-E170 HydrophobicContact CB-CB 4.22Å; L166-E170 HydrophobicContact CD2-CB 4.21Å; K167-E170 WeakPolarHBondContact CB-OE2 3.28Å; K167-E170 PolarHBondContact N-OE2 2.9Å; K167-E170 WeakPolarHBondContact O-CA 3.45Å; K167-E170 WeakPolarHBondContact O-CB 3.14Å; K167-E170 PolarHBondContact O-N 3.33Å; E168-E170 PolarHBondContact O-N 3.15Å; E170-D172 PolarHBondContact O-N 2.88Å; E170-D172 VanDerWaalsContact O-N 3.17Å; E170-C173 WeakPolarHBondContact O-CB 2.97Å; E170-C173 PolarHBondContact O-N 3.45Å
171	H	90.3	Very high	91.4	Very high	48 Å²	48	81.9 Å²	81.9	22%	0.222	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-68.4	-13	177	-67	-177.2	0	0	0	113.1	V127 R128 F131 K167 E168 E169	V127-H171 PolarHBondContact N-O 2.88Å; R128-H171 PolarHBondContact N-O 3.17Å; F131-H171 AromaticContact CE2-CD2 3.62Å; F131-H171 AromaticContact CE2-CE1 3.77Å; F131-H171 AromaticContact CE2-NE2 3.43Å; F131-H171 WeakPolarHBondContact CE2-NE2 3.38Å; F131-H171 AromaticContact CZ-NE2 3.91Å; K167-H171 PolarHBondContact O-CD2 3.2Å; E168-H171 WeakPolarHBondContact O-CB 3.4Å; E168-H171 PolarHBondContact O-N 3.28Å; E169-H171 VanDerWaalsContact C-N 3.35Å
172	D	92.3	Very high	91.6	Very high	74 Å²	74	74.8 Å²	74.8	40%	0.396	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-96.5	-5	177.9	-81	-1.3	0	0	0	114.7	R126 R128 E170	R126-D172 IonicContact NH1-OD1 3.03Å; R126-D172 PolarHBondContact NH1-OD1 2.77Å; R126-D172 IonicContact NH1-OD2 3.46Å; R126-D172 PolarHBondContact NH1-OD2 2.74Å; R126-D172 VanDerWaalsContact NH1-OD2 3.12Å; R128-D172 IonicContact CZ-OD1 3.83Å; R128-D172 IonicContact NE-OD1 2.77Å; R128-D172 PolarHBondContact NE-OD1 3.19Å; R128-D172 IonicContact NH2-OD1 2.78Å; R128-D172 PolarHBondContact NH2-OD1 2.79Å; R128-D172 IonicContact NH2-OD2 3.58Å; R128-D172 PolarHBondContact NH2-OD2 2.65Å; E170-D172 PolarHBondContact O-N 2.88Å; E170-D172 VanDerWaalsContact O-N 3.17Å
173	C	92.6	Very high	91.7	Very high	35 Å²	35	79.6 Å²	79.6	24%	0.236	38%	0.378	C	S	.	.	S	Bend	trans	-61.5	146.5	172.4	-68.6	0	0	0	0	111.1	R126 V127 E170 I178	R126-C173 WeakPolarHBondContact CA-O 3.39Å; V127-C173 HydrophobicContact CG2-CB 4.46Å; V127-C173 PolarHBondContact N-O 2.9Å; E170-C173 WeakPolarHBondContact O-CB 2.97Å; E170-C173 PolarHBondContact O-N 3.45Å; C173-I178 HydrophobicContact CB-CD1 3.68Å
174	L	95.5	Very high	91.8	Very high	53 Å²	53	84.9 Å²	84.9	28%	0.277	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-71	145.2	175.1	-62.6	179.9	0	0	0	110.1	K124 D125 E176 E177	K124-L174 WeakPolarHBondContact O-CD2 3.28Å; D125-L174 WeakPolarHBondContact O-CA 3.37Å; L174-E176 HydrophobicContact CB-CG 4.04Å; L174-E176 PolarHBondContact O-N 3.3Å; L174-E176 VanDerWaalsContact O-N 3.17Å; L174-E177 PolarHBondContact O-N 2.84Å; L174-E177 VanDerWaalsContact O-N 3.11Å
175	L	94.4	Very high	92.1	Very high	0 Å²	0	82.2 Å²	82.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-28.3	179.1	-61.6	-167.3	0	0	0	112.2	L121 P123 D125 R126 V127 V130 I144 I158 E177 I178 M179	L121-L175 HydrophobicContact CB-CD1 3.76Å; L121-L175 HydrophobicContact CD1-CD1 3.76Å; L121-L175 HydrophobicContact CG-CD1 4.41Å; P123-L175 PolarHBondContact O-N 2.96Å; D125-L175 HydrophobicContact CB-CD1 3.98Å; D125-L175 HydrophobicContact CB-CG 4.25Å; D125-L175 WeakPolarHBondContact O-CG 3.19Å; D125-L175 PolarHBondContact O-N 3.14Å; R126-L175 WeakPolarHBondContact O-CD2 3.22Å; V127-L175 HydrophobicContact CG2-CD2 4.1Å; V130-L175 HydrophobicContact CG2-CD1 3.93Å; V130-L175 HydrophobicContact CG2-CD2 3.73Å; V130-L175 HydrophobicContact CG2-CG 4.5Å; I144-L175 HydrophobicContact CD1-CD1 3.63Å; I158-L175 HydrophobicContact CD1-CB 3.89Å; I158-L175 HydrophobicContact CD1-CD1 4.12Å; I158-L175 HydrophobicContact CD1-CD2 3.56Å; I158-L175 HydrophobicContact CD1-CG 4.01Å; L175-E177 PolarHBondContact O-N 3.37Å; L175-I178 PolarHBondContact O-N 3.12Å; L175-M179 VanDerWaalsContact O-CB 3.26Å; L175-M179 WeakPolarHBondContact O-CB 3.38Å; L175-M179 VanDerWaalsContact O-CG 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.45Å; L175-M179 PolarHBondContact O-N 2.87Å
176	E	95.3	Very high	92.4	Very high	83 Å²	83	76.1 Å²	76.1	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-28.2	177.7	75.9	-177.3	171.3	0	0	113.8	P123 L174 K181	P123-E176 HydrophobicContact CB-CB 3.82Å; P123-E176 PolarHBondContact O-N 3.5Å; P123-E176 VanDerWaalsContact O-N 3.1Å; L174-E176 HydrophobicContact CB-CG 4.04Å; L174-E176 PolarHBondContact O-N 3.3Å; L174-E176 VanDerWaalsContact O-N 3.17Å; E176-K181 WeakPolarHBondContact O-CE 3.47Å; E176-K181 PolarHBondContact O-NZ 3.38Å
177	E	92.8	Very high	92.7	Very high	126 Å²	126	76 Å²	76	59%	0.589	37%	0.371	S	S	*	.	H	α-helix	trans	-77.5	-25	-177.6	-64.1	176.5	-168.7	0	0	112.3	L174 L175	L174-E177 PolarHBondContact O-N 2.84Å; L174-E177 VanDerWaalsContact O-N 3.11Å; L175-E177 PolarHBondContact O-N 3.37Å
178	I	92.9	Very high	93	Very high	40 Å²	40	69.3 Å²	69.3	21%	0.205	34%	0.342	C	S	.	.	H	α-helix	trans	-117.1	-27.1	-166.4	-59.5	163.8	0	0	0	112.2	V127 D162 L166 C173 L175	V127-I178 HydrophobicContact CG2-CD1 3.42Å; V127-I178 VanDerWaalsContact CG2-CD1 3.42Å; D162-I178 HydrophobicContact CB-CG2 4.23Å; D162-I178 WeakPolarHBondContact O-CG2 3.48Å; L166-I178 HydrophobicContact CD1-CD1 3.88Å; L166-I178 HydrophobicContact CD1-CG2 4.43Å; L166-I178 HydrophobicContact CD2-CD1 4.47Å; C173-I178 HydrophobicContact CB-CD1 3.68Å; L175-I178 PolarHBondContact O-N 3.12Å
179	M	94.6	Very high	93.5	Very high	17 Å²	17	65.5 Å²	65.5	8%	0.084	33%	0.332	C	S	.	.	S	Bend	trans	-61.3	150	-177.1	70.7	-179.7	-175.2	0	0	113.1	I144 V155 I158 L175 K181	I144-M179 HydrophobicContact CB-SD 3.77Å; I144-M179 HydrophobicContact CG1-CB 4.27Å; I144-M179 HydrophobicContact CG1-SD 3.85Å; I144-M179 HydrophobicContact CG2-SD 3.73Å; V155-M179 HydrophobicContact CB-CE 4.4Å; V155-M179 HydrophobicContact CG2-CE 4.27Å; V155-M179 WeakPolarHBondContact O-CE 3.34Å; I158-M179 HydrophobicContact CD1-CB 4.09Å; I158-M179 HydrophobicContact CG1-CB 3.62Å; L175-M179 VanDerWaalsContact O-CB 3.26Å; L175-M179 WeakPolarHBondContact O-CB 3.38Å; L175-M179 VanDerWaalsContact O-CG 3.3Å; L175-M179 WeakPolarHBondContact O-CG 3.45Å; L175-M179 PolarHBondContact O-N 2.87Å; M179-K181 HydrophobicContact CE-CD 4.03Å; M179-K181 HydrophobicContact CG-CD 4.42Å; M179-K181 PolarHBondContact O-N 2.91Å
180	T	95.3	Very high	93.8	Very high	43 Å²	43	59.6 Å²	59.6	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.4	164.8	-57.1	0	0	0	0	108.5	G156 I157 D184 L185	G156-T180 CarbonylContact C-O 3.59Å; G156-T180 WeakPolarHBondContact CA-O 3.39Å; I157-T180 PolarHBondContact N-O 3.5Å; I157-T180 VanDerWaalsContact N-O 3.08Å; I157-T180 PolarHBondContact O-N 3.37Å; T180-D184 HydrophobicContact CG2-CB 3.89Å; T180-L185 HydrophobicContact CG2-CD2 3.54Å
181	K	95.4	Very high	94	Very high	75 Å²	75	60.1 Å²	60.1	33%	0.326	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	156.1	-174.4	-57.2	-66.2	-169.8	171.7	0	112.3	E176 M179 E183 D184 L185	E176-K181 WeakPolarHBondContact O-CE 3.47Å; E176-K181 PolarHBondContact O-NZ 3.38Å; M179-K181 HydrophobicContact CE-CD 4.03Å; M179-K181 HydrophobicContact CG-CD 4.42Å; M179-K181 PolarHBondContact O-N 2.91Å; K181-E183 HydrophobicContact CB-CG 4.17Å; K181-E183 VanDerWaalsContact CB-OE1 3.27Å; K181-E183 WeakPolarHBondContact CB-OE1 3.34Å; K181-E183 WeakPolarHBondContact CB-OE2 3.43Å; K181-E183 PolarHBondContact O-N 3.45Å; K181-D184 PolarHBondContact O-N 3.45Å; K181-L185 WeakPolarHBondContact O-CG 3.3Å
182	R	94.9	Very high	94.1	Very high	63 Å²	63	59.2 Å²	59.2	24%	0.238	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-53.7	-37.5	-175.3	178.9	57.8	-171.2	88	0.4	113.6	L154 V155 D184 L185 D216	L154-R182 WeakPolarHBondContact O-CD 3.21Å; V155-R182 PolarHBondContact O-N 3.47Å; V155-R182 VanDerWaalsContact O-N 3.15Å; R182-D184 VanDerWaalsContact C-N 3.28Å; R182-D184 PolarHBondContact O-N 3.35Å; R182-L185 PolarHBondContact O-N 3.15Å; R182-D216 IonicContact CZ-OD1 3.3Å; R182-D216 VanDerWaalsContact CZ-OD1 3.3Å; R182-D216 IonicContact CZ-OD2 3.66Å; R182-D216 IonicContact NE-OD1 2.73Å; R182-D216 PolarHBondContact NE-OD1 3.45Å; R182-D216 IonicContact NE-OD2 3.09Å; R182-D216 PolarHBondContact NE-OD2 2.85Å; R182-D216 IonicContact NH2-OD1 2.69Å; R182-D216 PolarHBondContact NH2-OD1 2.96Å; R182-D216 IonicContact NH2-OD2 3.65Å
183	E	93.7	Very high	94	Very high	147 Å²	147	59.1 Å²	59.1	69%	0.687	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.3	-29.5	179.1	56	-89.5	-152.6	0	0	113.7	K181	K181-E183 HydrophobicContact CB-CG 4.17Å; K181-E183 VanDerWaalsContact CB-OE1 3.27Å; K181-E183 WeakPolarHBondContact CB-OE1 3.34Å; K181-E183 WeakPolarHBondContact CB-OE2 3.43Å; K181-E183 PolarHBondContact O-N 3.45Å
184	D	93.1	Very high	93.7	Very high	112 Å²	112	59.8 Å²	59.8	60%	0.599	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-93.8	-1.4	-179.9	-64.9	-44.2	0	0	0	112.8	T180 K181 R182	T180-D184 HydrophobicContact CG2-CB 3.89Å; K181-D184 PolarHBondContact O-N 3.45Å; R182-D184 VanDerWaalsContact C-N 3.28Å; R182-D184 PolarHBondContact O-N 3.35Å
185	L	94.3	Very high	93.3	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.131	36%	0.356	C	S	.	.			trans	-86	127.9	-179.8	-61.4	-172.1	0	0	0	112	L154 I157 T180 K181 R182 V187	L154-L185 HydrophobicContact CD2-CD1 4.16Å; L154-L185 HydrophobicContact CG-CD1 4.46Å; I157-L185 HydrophobicContact CB-CD1 4.34Å; I157-L185 HydrophobicContact CB-CD2 4.29Å; I157-L185 HydrophobicContact CG2-CD1 4.43Å; I157-L185 HydrophobicContact CG2-CD2 3.5Å; T180-L185 HydrophobicContact CG2-CD2 3.54Å; K181-L185 WeakPolarHBondContact O-CG 3.3Å; R182-L185 PolarHBondContact O-N 3.15Å; L185-V187 HydrophobicContact CB-CG1 4.15Å; L185-V187 PolarHBondContact O-N 3.41Å
186	V	94.6	Very high	93.2	Very high	64 Å²	64	68.9 Å²	68.9	39%	0.388	38%	0.377	S	S	.	.			trans	-78.1	120	159.6	-176.9	0	0	0	0	107.8	I200 L209	V186-I200 HydrophobicContact CG1-CG2 3.86Å; V186-L209 HydrophobicContact CG1-CD1 4.15Å; V186-L209 WeakPolarHBondContact O-CD1 3.23Å
187	V	95.9	Very high	93.1	Very high	37 Å²	37	65 Å²	65	22%	0.224	36%	0.358	C	S	.	.			trans	-120.8	165.6	175.2	-58.7	0	0	0	0	110.1	L154 L185 P210 V212	L154-V187 HydrophobicContact CD2-CG1 3.88Å; L185-V187 HydrophobicContact CB-CG1 4.15Å; L185-V187 PolarHBondContact O-N 3.41Å; V187-P210 WeakPolarHBondContact CA-O 3.25Å; V187-P210 HydrophobicContact CG1-CB 4.18Å; V187-P210 HydrophobicContact CG1-CG 4.41Å; V187-V212 HydrophobicContact CB-CG2 4.18Å; V187-V212 HydrophobicContact CG2-CG2 3.94Å
188	A	96.2	Very high	92.9	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.9	170	0	0	0	0	0	111	I192 I200 L209 P210 I211 V212	A188-I192 HydrophobicContact CB-CD1 3.97Å; A188-I192 HydrophobicContact CB-CG2 4.4Å; A188-I200 HydrophobicContact CB-CD1 3.85Å; A188-L209 HydrophobicContact CB-CD1 4.33Å; A188-L209 HydrophobicContact CB-CD2 4.06Å; A188-L209 HydrophobicContact CB-CG 4.3Å; A188-P210 PolarHBondContact N-O 2.83Å; A188-I211 HydrophobicContact CB-CD1 3.76Å; A188-I211 VanDerWaalsContact O-CA 3.28Å; A188-I211 WeakPolarHBondContact O-CA 3.47Å; A188-V212 PolarHBondContact O-N 3.27Å
189	P	96	Very high	92.9	Very high	86 Å²	86	62.5 Å²	62.5	56%	0.558	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	152.1	179.5	30.3	-35.4	0	0	0	111.9	I192 V212	P189-I192 WeakPolarHBondContact O-CB 3.36Å; P189-I192 VanDerWaalsContact O-CG2 3.26Å; P189-I192 WeakPolarHBondContact O-CG2 3.35Å; P189-V212 CarbonylContact C-O 3.43Å; P189-V212 WeakPolarHBondContact CA-O 3.43Å
190	A	93.7	Very high	92.9	Very high	49 Å²	49	63.1 Å²	63.1	41%	0.405	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	148.1	170.1	0	0	0	0	0	111.1	I192 V212 N213 V219	A190-I192 VanDerWaalsContact C-N 3.32Å; A190-V212 PolarHBondContact N-O 3.32Å; A190-N213 HydrophobicContact CB-CB 4.41Å; A190-V219 HydrophobicContact CB-CG2 4.44Å
191	G	89.8	Confident	92.8	Very high	85 Å²	85	61.1 Å²	61.1	88%	0.876	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-5.1	-176	0	0	0	0	0	115
192	I	93.1	Very high	92.6	Very high	28 Å²	28	63.6 Å²	63.6	14%	0.144	35%	0.35	C	S	.	.			trans	-63.3	145	173.6	-166	169.5	0	0	0	112	F114 A188 P189 A190 E196 A197 I200 I211	F114-I192 HydrophobicContact CE1-CG2 4.18Å; F114-I192 HydrophobicContact CZ-CG2 4.2Å; F114-I192 WeakPolarHBondContact CZ-O 3.32Å; A188-I192 HydrophobicContact CB-CD1 3.97Å; A188-I192 HydrophobicContact CB-CG2 4.4Å; P189-I192 WeakPolarHBondContact O-CB 3.36Å; P189-I192 VanDerWaalsContact O-CG2 3.26Å; P189-I192 WeakPolarHBondContact O-CG2 3.35Å; A190-I192 VanDerWaalsContact C-N 3.32Å; I192-E196 HydrophobicContact CD1-CB 3.73Å; I192-E196 HydrophobicContact CG1-CB 3.56Å; I192-E196 WeakPolarHBondContact CG1-OE2 3.43Å; I192-A197 HydrophobicContact CD1-CB 4.1Å; I192-A197 HydrophobicContact CG1-CB 4.37Å; I192-A197 HydrophobicContact CG2-CB 4.07Å; I192-I200 HydrophobicContact CD1-CD1 3.45Å; I192-I200 VanDerWaalsContact CD1-CD1 3.45Å; I192-I211 HydrophobicContact CG2-CD1 4.28Å
193	T	90.2	Very high	92.5	Very high	73 Å²	73	69.4 Å²	69.4	45%	0.448	37%	0.372	S	S	.	.			trans	-75.6	154.4	173.2	69.7	0	0	0	0	111.3	K195 E196 A197	T193-K195 PolarHBondContact O-N 2.82Å; T193-E196 WeakPolarHBondContact CB-OE2 3.44Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.35Å; T193-E196 PolarHBondContact N-OE2 3.12Å; T193-E196 PolarHBondContact O-N 3.2Å; T193-E196 VanDerWaalsContact OG1-CG 3.26Å; T193-E196 WeakPolarHBondContact OG1-CG 3.47Å; T193-E196 PolarHBondContact OG1-N 2.86Å; T193-E196 PolarHBondContact OG1-OE2 3.29Å; T193-A197 WeakPolarHBondContact O-CB 3.33Å; T193-A197 PolarHBondContact O-N 3.05Å
194	L	86.2	Confident	92.5	Very high	48 Å²	48	63.8 Å²	63.8	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-33.1	176.6	-173.2	62.6	0	0	0	112	F114 N198 I222 K242	F114-L194 HydrophobicContact CD2-CD1 4.12Å; F114-L194 HydrophobicContact CE2-CB 3.78Å; F114-L194 HydrophobicContact CE2-CD1 3.9Å; F114-L194 HydrophobicContact CE2-CG 4.43Å; F114-L194 HydrophobicContact CZ-CB 4.37Å; F114-L194 HydrophobicContact CZ-CD1 4.32Å; L194-N198 WeakPolarHBondContact O-CB 3.45Å; L194-N198 PolarHBondContact O-N 3.48Å; L194-N198 PolarHBondContact O-ND2 3.29Å; L194-I222 HydrophobicContact CD1-CD1 4.14Å; L194-K242 HydrophobicContact CD2-CG 3.94Å
195	K	87.9	Confident	92.4	Very high	152 Å²	152	66.2 Å²	66.2	66%	0.661	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-51.7	178.7	-175.7	-177.1	172.8	-170.6	0	111.2	T193 A197 N198 E199	T193-K195 PolarHBondContact O-N 2.82Å; K195-A197 VanDerWaalsContact C-N 3.33Å; K195-A197 PolarHBondContact O-N 3.09Å; K195-N198 WeakPolarHBondContact O-CB 3.33Å; K195-N198 PolarHBondContact O-N 2.93Å; K195-E199 WeakPolarHBondContact O-CG 3.46Å; K195-E199 PolarHBondContact O-N 2.93Å; K195-E199 VanDerWaalsContact O-N 3.08Å
196	E	92.3	Very high	92.3	Very high	93 Å²	93	70.6 Å²	70.6	44%	0.435	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-41.2	178.9	-66.7	158.6	151.1	0	0	111.2	I192 T193 N198 E199 I200	I192-E196 HydrophobicContact CD1-CB 3.73Å; I192-E196 HydrophobicContact CG1-CB 3.56Å; I192-E196 WeakPolarHBondContact CG1-OE2 3.43Å; T193-E196 WeakPolarHBondContact CB-OE2 3.44Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.35Å; T193-E196 PolarHBondContact N-OE2 3.12Å; T193-E196 PolarHBondContact O-N 3.2Å; T193-E196 VanDerWaalsContact OG1-CG 3.26Å; T193-E196 WeakPolarHBondContact OG1-CG 3.47Å; T193-E196 PolarHBondContact OG1-N 2.86Å; T193-E196 PolarHBondContact OG1-OE2 3.29Å; E196-N198 VanDerWaalsContact C-N 3.3Å; E196-N198 PolarHBondContact O-N 2.91Å; E196-E199 WeakPolarHBondContact O-CB 3.17Å; E196-E199 PolarHBondContact O-N 2.58Å; E196-E199 VanDerWaalsContact O-N 3.11Å; E196-I200 WeakPolarHBondContact O-CG1 3.33Å; E196-I200 PolarHBondContact O-N 2.78Å
197	A	91.9	Very high	92.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-37	177.9	0	0	0	0	0	112	F114 I192 T193 K195 I200 L201 L209 I222	F114-A197 HydrophobicContact CE1-CB 4.43Å; F114-A197 HydrophobicContact CZ-CB 4.34Å; I192-A197 HydrophobicContact CD1-CB 4.1Å; I192-A197 HydrophobicContact CG1-CB 4.37Å; I192-A197 HydrophobicContact CG2-CB 4.07Å; T193-A197 WeakPolarHBondContact O-CB 3.33Å; T193-A197 PolarHBondContact O-N 3.05Å; K195-A197 VanDerWaalsContact C-N 3.33Å; K195-A197 PolarHBondContact O-N 3.09Å; A197-I200 PolarHBondContact O-N 3.37Å; A197-L201 WeakPolarHBondContact O-CB 3.43Å; A197-L201 PolarHBondContact O-N 2.91Å; A197-L209 HydrophobicContact CB-CD2 4.18Å; A197-L209 VanDerWaalsContact O-CD2 3.29Å; A197-L209 WeakPolarHBondContact O-CD2 3.27Å; A197-I222 HydrophobicContact CB-CD1 3.24Å
198	N	89.8	Confident	92	Very high	29 Å²	29	70.1 Å²	70.1	16%	0.155	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-38.7	172.3	-73.3	-28.5	0	0	0	112.4	L194 K195 E196 L201 Q202 L227	L194-N198 WeakPolarHBondContact O-CB 3.45Å; L194-N198 PolarHBondContact O-N 3.48Å; L194-N198 PolarHBondContact O-ND2 3.29Å; K195-N198 WeakPolarHBondContact O-CB 3.33Å; K195-N198 PolarHBondContact O-N 2.93Å; E196-N198 VanDerWaalsContact C-N 3.3Å; E196-N198 PolarHBondContact O-N 2.91Å; N198-L201 PolarHBondContact O-N 3.28Å; N198-Q202 WeakPolarHBondContact O-CB 3.05Å; N198-Q202 WeakPolarHBondContact O-CG 3.49Å; N198-Q202 PolarHBondContact O-N 3.04Å; N198-L227 HydrophobicContact CB-CD1 4.18Å; N198-L227 HydrophobicContact CB-CD2 3.99Å; N198-L227 WeakPolarHBondContact ND2-CD2 3.34Å; N198-L227 VanDerWaalsContact OD1-CD2 3.28Å; N198-L227 WeakPolarHBondContact OD1-CD2 3.2Å; N198-L227 WeakPolarHBondContact OD1-CG 3.42Å
199	E	93	Very high	91.9	Very high	86 Å²	86	70.1 Å²	70.1	40%	0.402	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-38.9	175.5	-69	169.8	-170.4	0	0	112	K195 E196 R203	K195-E199 WeakPolarHBondContact O-CG 3.46Å; K195-E199 PolarHBondContact O-N 2.93Å; K195-E199 VanDerWaalsContact O-N 3.08Å; E196-E199 WeakPolarHBondContact O-CB 3.17Å; E196-E199 PolarHBondContact O-N 2.58Å; E196-E199 VanDerWaalsContact O-N 3.11Å; E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.3Å; E199-R203 PolarHBondContact O-N 2.71Å; E199-R203 PolarHBondContact O-NE 2.98Å
200	I	94.3	Very high	92	Very high	30 Å²	30	66.2 Å²	66.2	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-49.1	173.1	-65.1	171	0	0	0	110.4	V186 A188 I192 E196 A197 Q202 R203 S204 L209	V186-I200 HydrophobicContact CG1-CG2 3.86Å; A188-I200 HydrophobicContact CB-CD1 3.85Å; I192-I200 HydrophobicContact CD1-CD1 3.45Å; I192-I200 VanDerWaalsContact CD1-CD1 3.45Å; E196-I200 WeakPolarHBondContact O-CG1 3.33Å; E196-I200 PolarHBondContact O-N 2.78Å; A197-I200 PolarHBondContact O-N 3.37Å; I200-Q202 VanDerWaalsContact C-N 3.31Å; I200-Q202 PolarHBondContact O-N 2.99Å; I200-R203 PolarHBondContact O-N 3.32Å; I200-S204 WeakPolarHBondContact O-CB 3.32Å; I200-S204 PolarHBondContact O-N 3.43Å; I200-S204 PolarHBondContact O-OG 2.86Å; I200-L209 HydrophobicContact CB-CD2 4Å; I200-L209 HydrophobicContact CG2-CD1 3.81Å; I200-L209 HydrophobicContact CG2-CD2 3.91Å
201	L	92.6	Very high	92.1	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-36	-179.6	-177.4	59.7	0	0	0	112.4	A197 N198 S204 K205 K206 L209 I222 R224 L227	A197-L201 WeakPolarHBondContact O-CB 3.43Å; A197-L201 PolarHBondContact O-N 2.91Å; N198-L201 PolarHBondContact O-N 3.28Å; L201-S204 PolarHBondContact O-OG 3.49Å; L201-K205 PolarHBondContact O-N 3.1Å; L201-K206 WeakPolarHBondContact CD1-O 3.49Å; L201-L209 HydrophobicContact CB-CB 4.35Å; L201-L209 HydrophobicContact CB-CD2 4.27Å; L201-L209 HydrophobicContact CD1-CB 4Å; L201-I222 HydrophobicContact CD2-CG2 3.9Å; L201-R224 HydrophobicContact CD1-CB 4.5Å; L201-R224 HydrophobicContact CD2-CB 4.07Å; L201-R224 HydrophobicContact CG-CB 4.38Å; L201-L227 HydrophobicContact CD2-CD1 4Å
202	Q	90.9	Very high	92.4	Very high	126 Å²	126	60.4 Å²	60.4	59%	0.589	29%	0.292	S	S	*	.	H	α-helix	trans	-66.3	-44.5	174.2	-75.6	175.5	17.3	0	0	112.1	N198 I200 K205 L227	N198-Q202 WeakPolarHBondContact O-CB 3.05Å; N198-Q202 WeakPolarHBondContact O-CG 3.49Å; N198-Q202 PolarHBondContact O-N 3.04Å; I200-Q202 VanDerWaalsContact C-N 3.31Å; I200-Q202 PolarHBondContact O-N 2.99Å; Q202-K205 PolarHBondContact O-N 3.22Å; Q202-L227 HydrophobicContact CG-CD1 4.43Å
203	R	93.7	Very high	92.5	Very high	186 Å²	186	61.3 Å²	61.3	70%	0.702	30%	0.297	S	S	*	.	H	α-helix	trans	-66.1	-42.7	177.9	-74.9	-176.3	-67.8	173.8	-1.8	112.4	E199 I200 K205	E199-R203 WeakPolarHBondContact O-CB 3.37Å; E199-R203 WeakPolarHBondContact O-CG 3.3Å; E199-R203 PolarHBondContact O-N 2.71Å; E199-R203 PolarHBondContact O-NE 2.98Å; I200-R203 PolarHBondContact O-N 3.32Å; R203-K205 PolarHBondContact O-N 3.44Å
204	S	92.9	Very high	92.7	Very high	29 Å²	29	67.2 Å²	67.2	20%	0.203	32%	0.32	C	S	.	.	H	α-helix	trans	-69.1	-21.8	179.7	75.8	0	0	0	0	112.8	I200 L201 K206	I200-S204 WeakPolarHBondContact O-CB 3.32Å; I200-S204 PolarHBondContact O-N 3.43Å; I200-S204 PolarHBondContact O-OG 2.86Å; L201-S204 PolarHBondContact O-OG 3.49Å; S204-K206 PolarHBondContact O-N 3.46Å; S204-K206 PolarHBondContact OG-N 3.14Å
205	K	91.6	Very high	93.2	Very high	163 Å²	163	70.7 Å²	70.7	71%	0.709	34%	0.339	S	S	*	.			trans	56.2	13.6	-175	-58	179	-177.3	176.9	0	113.6	L201 Q202 R203 R224	L201-K205 PolarHBondContact O-N 3.1Å; Q202-K205 PolarHBondContact O-N 3.22Å; R203-K205 PolarHBondContact O-N 3.44Å; K205-R224 PolarHBondContact O-NH1 3.44Å
206	K	91.5	Very high	93.5	Very high	117 Å²	117	65.3 Å²	65.3	51%	0.509	32%	0.317	S	S	.	.			trans	-78.3	166.1	177.5	-60.9	-63.8	-174.8	165.5	0	110.9	L201 S204 R224	L201-K206 WeakPolarHBondContact CD1-O 3.49Å; S204-K206 PolarHBondContact O-N 3.46Å; S204-K206 PolarHBondContact OG-N 3.14Å; K206-R224 WeakPolarHBondContact O-CD 3.48Å
207	G	90.7	Very high	93.7	Very high	47 Å²	47	64.2 Å²	64.2	49%	0.485	31%	0.312	S	S	.	.	S	Bend	trans	-81.9	-26.9	-179.2	0	0	0	0	0	113.8	R224	G207-R224 VanDerWaalsContact O-CB 3.31Å; G207-R224 WeakPolarHBondContact O-CB 3.48Å; G207-R224 PolarHBondContact O-N 2.83Å
208	K	93.4	Very high	94	Very high	44 Å²	44	64.2 Å²	64.2	19%	0.191	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.3	-175.8	-63.2	-58.9	-171.9	91.7	0	110	G141 I157 I221 I222 A223	G141-K208 PolarHBondContact O-NZ 3.48Å; I157-K208 HydrophobicContact CD1-CB 3.76Å; I157-K208 HydrophobicContact CD1-CG 4.16Å; K208-I221 HydrophobicContact CB-CD1 3.84Å; K208-I221 HydrophobicContact CB-CG1 4.22Å; K208-I221 HydrophobicContact CD-CD1 4.22Å; K208-I221 HydrophobicContact CD-CG1 4.44Å; K208-I221 HydrophobicContact CG-CD1 4.08Å; K208-I222 CarbonylContact C-O 3.56Å; K208-I222 VanDerWaalsContact CA-O 3.26Å; K208-I222 WeakPolarHBondContact CA-O 3.22Å; K208-A223 HydrophobicContact CD-CB 3.59Å
209	L	95.3	Very high	94.2	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	106	173.2	177.5	66.6	0	0	0	109.2	V186 A188 A197 I200 L201 I211 I221 I222	V186-L209 HydrophobicContact CG1-CD1 4.15Å; V186-L209 WeakPolarHBondContact O-CD1 3.23Å; A188-L209 HydrophobicContact CB-CD1 4.33Å; A188-L209 HydrophobicContact CB-CD2 4.06Å; A188-L209 HydrophobicContact CB-CG 4.3Å; A197-L209 HydrophobicContact CB-CD2 4.18Å; A197-L209 VanDerWaalsContact O-CD2 3.29Å; A197-L209 WeakPolarHBondContact O-CD2 3.27Å; I200-L209 HydrophobicContact CB-CD2 4Å; I200-L209 HydrophobicContact CG2-CD1 3.81Å; I200-L209 HydrophobicContact CG2-CD2 3.91Å; L201-L209 HydrophobicContact CB-CB 4.35Å; L201-L209 HydrophobicContact CB-CD2 4.27Å; L201-L209 HydrophobicContact CD1-CB 4Å; L209-I211 HydrophobicContact CD2-CD1 4.36Å; L209-I211 HydrophobicContact CG-CD1 4.26Å; L209-I221 WeakPolarHBondContact O-CA 3.44Å; L209-I222 HydrophobicContact CB-CB 4.41Å; L209-I222 PolarHBondContact N-O 2.99Å; L209-I222 PolarHBondContact O-N 2.97Å
210	P	96.4	Very high	94.2	Very high	4 Å²	4	62 Å²	62	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	143.4	170.8	-18.2	32.4	0	0	0	111.6	L154 I157 V187 A188 L218	L154-P210 HydrophobicContact CD2-CB 3.57Å; L154-P210 HydrophobicContact CD2-CG 4Å; I157-P210 HydrophobicContact CD1-CG 4.45Å; V187-P210 WeakPolarHBondContact CA-O 3.25Å; V187-P210 HydrophobicContact CG1-CB 4.18Å; V187-P210 HydrophobicContact CG1-CG 4.41Å; A188-P210 PolarHBondContact N-O 2.83Å; P210-L218 HydrophobicContact CB-CD1 3.92Å
211	I	96.2	Very high	94.2	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.3	175.4	-47.3	-59.1	0	0	0	108	F114 A188 I192 L209 V219 A220 I222	F114-I211 HydrophobicContact CD1-CG1 4.04Å; F114-I211 HydrophobicContact CE1-CD1 4.11Å; F114-I211 HydrophobicContact CE1-CG1 3.98Å; A188-I211 HydrophobicContact CB-CD1 3.76Å; A188-I211 VanDerWaalsContact O-CA 3.28Å; A188-I211 WeakPolarHBondContact O-CA 3.47Å; I192-I211 HydrophobicContact CG2-CD1 4.28Å; L209-I211 HydrophobicContact CD2-CD1 4.36Å; L209-I211 HydrophobicContact CG-CD1 4.26Å; I211-V219 PolarHBondContact O-N 3.34Å; I211-A220 HydrophobicContact CB-CB 4.07Å; I211-A220 WeakPolarHBondContact CB-O 3.33Å; I211-A220 HydrophobicContact CG1-CB 4.07Å; I211-A220 PolarHBondContact N-O 3.05Å; I211-A220 PolarHBondContact O-N 3.08Å; I211-I222 HydrophobicContact CD1-CD1 4.16Å; I211-I222 HydrophobicContact CD1-CG1 4.38Å; I211-I222 HydrophobicContact CG1-CG1 4.5Å
212	V	96.8	Very high	94.1	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.1	-175.4	-62.6	0	0	0	0	111.8	L154 V187 A188 P189 A190 E217	L154-V212 HydrophobicContact CB-CG1 4.1Å; L154-V212 HydrophobicContact CD2-CG1 3.78Å; V187-V212 HydrophobicContact CB-CG2 4.18Å; V187-V212 HydrophobicContact CG2-CG2 3.94Å; A188-V212 PolarHBondContact O-N 3.27Å; P189-V212 CarbonylContact C-O 3.43Å; P189-V212 WeakPolarHBondContact CA-O 3.43Å; A190-V212 PolarHBondContact N-O 3.32Å; V212-E217 WeakPolarHBondContact CA-O 3.31Å
213	N	95.7	Very high	94.1	Very high	46 Å²	46	54.8 Å²	54.8	25%	0.246	27%	0.272	C	S	.	.			trans	-80.9	-172.8	171.5	67.3	5.3	0	0	0	111.6	A190 D215 D216 E217 V219	A190-N213 HydrophobicContact CB-CB 4.41Å; N213-D215 PolarHBondContact O-N 3.33Å; N213-D215 PolarHBondContact OD1-N 3.14Å; N213-D215 VanDerWaalsContact OD1-N 3.13Å; N213-D216 PolarHBondContact O-N 3.06Å; N213-D216 PolarHBondContact OD1-N 3.48Å; N213-E217 PolarHBondContact N-O 2.81Å; N213-E217 VanDerWaalsContact N-O 3.09Å; N213-E217 PolarHBondContact ND2-OE2 3.15Å; N213-E217 WeakPolarHBondContact OD1-CB 3.36Å; N213-E217 PolarHBondContact OD1-N 3.44Å; N213-V219 HydrophobicContact CB-CG2 4.02Å
214	E	94.8	Very high	94	Very high	198 Å²	198	51 Å²	51	93%	0.925	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.1	179.7	-63.9	-176.7	175.4	0	0	113.1	D216	E214-D216 VanDerWaalsContact C-N 3.31Å
215	D	95.3	Very high	93.7	Very high	121 Å²	121	53.4 Å²	53.4	65%	0.647	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	8.9	178.7	-61.1	-53.9	0	0	0	113.4	N213 E217	N213-D215 PolarHBondContact O-N 3.33Å; N213-D215 PolarHBondContact OD1-N 3.14Å; N213-D215 VanDerWaalsContact OD1-N 3.13Å; D215-E217 HydrophobicContact CB-CG 4.1Å; D215-E217 PolarHBondContact O-N 2.97Å
216	D	95.2	Very high	93.5	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.203	24%	0.242	C	C	.	.			trans	63.2	24	-176.5	-154.1	38.2	0	0	0	114.5	R153 L154 R182 N213 E214	R153-D216 WeakPolarHBondContact CA-O 3.43Å; R153-D216 HydrophobicContact CG-CB 4.29Å; L154-D216 PolarHBondContact N-O 3.37Å; R182-D216 IonicContact CZ-OD1 3.3Å; R182-D216 VanDerWaalsContact CZ-OD1 3.3Å; R182-D216 IonicContact CZ-OD2 3.66Å; R182-D216 IonicContact NE-OD1 2.73Å; R182-D216 PolarHBondContact NE-OD1 3.45Å; R182-D216 IonicContact NE-OD2 3.09Å; R182-D216 PolarHBondContact NE-OD2 2.85Å; R182-D216 IonicContact NH2-OD1 2.69Å; R182-D216 PolarHBondContact NH2-OD1 2.96Å; R182-D216 IonicContact NH2-OD2 3.65Å; N213-D216 PolarHBondContact O-N 3.06Å; N213-D216 PolarHBondContact OD1-N 3.48Å; E214-D216 VanDerWaalsContact C-N 3.31Å
217	E	96.8	Very high	93.3	Very high	71 Å²	71	42.7 Å²	42.7	33%	0.332	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-85.2	138	175.7	-55.6	174.6	147.5	0	0	111.1	S152 V212 N213 D215 V219	S152-E217 WeakPolarHBondContact O-CA 3.17Å; V212-E217 WeakPolarHBondContact CA-O 3.31Å; N213-E217 PolarHBondContact N-O 2.81Å; N213-E217 VanDerWaalsContact N-O 3.09Å; N213-E217 PolarHBondContact ND2-OE2 3.15Å; N213-E217 WeakPolarHBondContact OD1-CB 3.36Å; N213-E217 PolarHBondContact OD1-N 3.44Å; D215-E217 HydrophobicContact CB-CG 4.1Å; D215-E217 PolarHBondContact O-N 2.97Å; E217-V219 PolarHBondContact O-N 2.96Å
218	L	96.4	Very high	93.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	118.6	-178.9	-178.6	68.2	0	0	0	111.6	V120 P143 T145 M150 G151 S152 L154 P210 A220	V120-L218 HydrophobicContact CG1-CD2 3.75Å; P143-L218 HydrophobicContact CB-CD2 3.52Å; P143-L218 HydrophobicContact CG-CD2 3.85Å; T145-L218 HydrophobicContact CG2-CB 4.11Å; T145-L218 HydrophobicContact CG2-CD2 4.02Å; M150-L218 HydrophobicContact CE-CD2 4.26Å; M150-L218 HydrophobicContact CE-CG 4.05Å; M150-L218 WeakPolarHBondContact CE-O 3.38Å; M150-L218 HydrophobicContact SD-CD2 3.64Å; M150-L218 HydrophobicContact SD-CG 4.08Å; G151-L218 WeakPolarHBondContact CA-O 3.15Å; G151-L218 PolarHBondContact N-O 3.21Å; G151-L218 VanDerWaalsContact N-O 3.1Å; S152-L218 PolarHBondContact O-N 3.45Å; L154-L218 HydrophobicContact CD1-CD1 4.34Å; L154-L218 HydrophobicContact CD1-CD2 4.45Å; P210-L218 HydrophobicContact CB-CD1 3.92Å; L218-A220 WeakPolarHBondContact CD1-O 3.42Å
219	V	94.8	Very high	93	Very high	63 Å²	63	45.2 Å²	45.2	38%	0.382	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-40.1	178.9	-177.4	0	0	0	0	111.8	A190 I211 N213 E217	A190-V219 HydrophobicContact CB-CG2 4.44Å; I211-V219 PolarHBondContact O-N 3.34Å; N213-V219 HydrophobicContact CB-CG2 4.02Å; E217-V219 PolarHBondContact O-N 2.96Å
220	A	93.8	Very high	92.7	Very high	4 Å²	4	49 Å²	49	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	171.3	-179.8	0	0	0	0	0	112	F114 I115 I211 L218	F114-A220 HydrophobicContact CB-CB 4.3Å; F114-A220 HydrophobicContact CD1-CB 4.24Å; I115-A220 CarbonylContact O-C 3.55Å; I115-A220 WeakPolarHBondContact O-CA 3.33Å; I115-A220 WeakPolarHBondContact O-CB 3.43Å; I211-A220 HydrophobicContact CB-CB 4.07Å; I211-A220 WeakPolarHBondContact CB-O 3.33Å; I211-A220 HydrophobicContact CG1-CB 4.07Å; I211-A220 PolarHBondContact N-O 3.05Å; I211-A220 PolarHBondContact O-N 3.08Å; L218-A220 WeakPolarHBondContact CD1-O 3.42Å
221	I	93.2	Very high	92.3	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.9	169.6	-174.6	161.9	0	0	0	110.4	I115 P118 P143 I157 K208 L209	I115-I221 HydrophobicContact CB-CG2 3.69Å; I115-I221 VanDerWaalsContact CB-O 3.24Å; I115-I221 WeakPolarHBondContact CB-O 3.43Å; I115-I221 HydrophobicContact CD1-CG2 4.06Å; I115-I221 HydrophobicContact CG1-CG2 4.42Å; I115-I221 WeakPolarHBondContact CG1-O 3.3Å; I115-I221 HydrophobicContact CG2-CG2 4Å; I115-I221 PolarHBondContact N-O 3.11Å; I115-I221 PolarHBondContact O-N 2.94Å; P118-I221 HydrophobicContact CB-CG2 3.6Å; P118-I221 HydrophobicContact CG-CG2 3.8Å; P143-I221 HydrophobicContact CG-CD1 3.59Å; I157-I221 HydrophobicContact CD1-CD1 4.03Å; K208-I221 HydrophobicContact CB-CD1 3.84Å; K208-I221 HydrophobicContact CB-CG1 4.22Å; K208-I221 HydrophobicContact CD-CD1 4.22Å; K208-I221 HydrophobicContact CD-CG1 4.44Å; K208-I221 HydrophobicContact CG-CD1 4.08Å; L209-I221 WeakPolarHBondContact O-CA 3.44Å
222	I	91.8	Very high	92.1	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142	172	-57.7	178.8	0	0	0	108.9	F114 L194 A197 L201 K208 L209 I211	F114-I222 HydrophobicContact CD1-CD1 3.89Å; F114-I222 HydrophobicContact CD1-CG1 3.85Å; F114-I222 HydrophobicContact CE1-CD1 3.56Å; F114-I222 HydrophobicContact CE1-CG1 4.06Å; F114-I222 HydrophobicContact CZ-CD1 4.12Å; L194-I222 HydrophobicContact CD1-CD1 4.14Å; A197-I222 HydrophobicContact CB-CD1 3.24Å; L201-I222 HydrophobicContact CD2-CG2 3.9Å; K208-I222 CarbonylContact C-O 3.56Å; K208-I222 VanDerWaalsContact CA-O 3.26Å; K208-I222 WeakPolarHBondContact CA-O 3.22Å; L209-I222 HydrophobicContact CB-CB 4.41Å; L209-I222 PolarHBondContact N-O 2.99Å; L209-I222 PolarHBondContact O-N 2.97Å; I211-I222 HydrophobicContact CD1-CD1 4.16Å; I211-I222 HydrophobicContact CD1-CG1 4.38Å; I211-I222 HydrophobicContact CG1-CG1 4.5Å
223	A	90.9	Very high	92	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.9	176.4	0	0	0	0	0	112.9	I115 K208 T225 D226	I115-A223 HydrophobicContact CD1-CB 4.43Å; K208-A223 HydrophobicContact CD-CB 3.59Å; A223-T225 WeakPolarHBondContact CB-OG1 3.38Å; A223-T225 PolarHBondContact O-N 3.5Å; A223-D226 PolarHBondContact O-N 3.19Å; A223-D226 VanDerWaalsContact O-N 3.08Å
224	R	89.9	Confident	91.8	Very high	108 Å²	108	66.2 Å²	66.2	41%	0.408	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-24.5	176.1	-176.3	175	176.5	-172.4	0.9	112.2	L201 K205 K206 G207 D226 L227 K228	L201-R224 HydrophobicContact CD1-CB 4.5Å; L201-R224 HydrophobicContact CD2-CB 4.07Å; L201-R224 HydrophobicContact CG-CB 4.38Å; K205-R224 PolarHBondContact O-NH1 3.44Å; K206-R224 WeakPolarHBondContact O-CD 3.48Å; G207-R224 VanDerWaalsContact O-CB 3.31Å; G207-R224 WeakPolarHBondContact O-CB 3.48Å; G207-R224 PolarHBondContact O-N 2.83Å; R224-D226 PolarHBondContact O-N 2.99Å; R224-L227 WeakPolarHBondContact O-CB 3.36Å; R224-L227 PolarHBondContact O-N 3.24Å; R224-K228 PolarHBondContact O-N 3.24Å; R224-K228 VanDerWaalsContact O-N 3.16Å
225	T	88.2	Confident	91.9	Very high	78 Å²	78	60.5 Å²	60.5	48%	0.479	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-34.4	174.2	45.5	0	0	0	0	112	A223 K228 K229	A223-T225 WeakPolarHBondContact CB-OG1 3.38Å; A223-T225 PolarHBondContact O-N 3.5Å; T225-K228 PolarHBondContact O-N 2.88Å; T225-K229 WeakPolarHBondContact O-CG 3.2Å; T225-K229 PolarHBondContact O-N 3Å
226	D	86.9	Confident	91.9	Very high	18 Å²	18	55.3 Å²	55.3	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-73.4	-35.7	-178.9	-58.1	-29	0	0	0	110.9	E111 A223 R224 K228 K229 N230	E111-D226 HydrophobicContact CG-CB 4.28Å; A223-D226 PolarHBondContact O-N 3.19Å; A223-D226 VanDerWaalsContact O-N 3.08Å; R224-D226 PolarHBondContact O-N 2.99Å; D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 3.25Å; D226-K229 PolarHBondContact O-N 3.12Å; D226-K229 IonicContact OD1-NZ 2.81Å; D226-N230 WeakPolarHBondContact O-CB 3.46Å; D226-N230 PolarHBondContact O-N 3.4Å
227	L	85.9	Confident	92	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.199	27%	0.265	C	S	.	.	H	α-helix	trans	-59.7	-42.3	168.7	-79.2	179	0	0	0	112.8	N198 L201 Q202 R224 R231	N198-L227 HydrophobicContact CB-CD1 4.18Å; N198-L227 HydrophobicContact CB-CD2 3.99Å; N198-L227 WeakPolarHBondContact ND2-CD2 3.34Å; N198-L227 VanDerWaalsContact OD1-CD2 3.28Å; N198-L227 WeakPolarHBondContact OD1-CD2 3.2Å; N198-L227 WeakPolarHBondContact OD1-CG 3.42Å; L201-L227 HydrophobicContact CD2-CD1 4Å; Q202-L227 HydrophobicContact CG-CD1 4.43Å; R224-L227 WeakPolarHBondContact O-CB 3.36Å; R224-L227 PolarHBondContact O-N 3.24Å; L227-R231 PolarHBondContact O-N 3.22Å
228	K	89.7	Confident	91.9	Very high	105 Å²	105	52.6 Å²	52.6	46%	0.457	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-47.3	176.3	-72	-175.8	175.2	-172.8	0	111.1	R224 T225 D226 N230 R231 D232	R224-K228 PolarHBondContact O-N 3.24Å; R224-K228 VanDerWaalsContact O-N 3.16Å; T225-K228 PolarHBondContact O-N 2.88Å; D226-K228 VanDerWaalsContact C-N 3.34Å; D226-K228 PolarHBondContact O-N 3.25Å; K228-N230 VanDerWaalsContact C-N 3.32Å; K228-N230 PolarHBondContact O-N 3.17Å; K228-R231 WeakPolarHBondContact O-CB 3.48Å; K228-R231 PolarHBondContact O-N 2.95Å; K228-R231 VanDerWaalsContact O-N 3.12Å; K228-D232 WeakPolarHBondContact O-CB 3.3Å; K228-D232 PolarHBondContact O-N 3.01Å
229	K	89.8	Confident	91.8	Very high	38 Å²	38	54 Å²	54	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-46.4	176.6	-73.1	172	-177.6	171.9	0	111.5	Y110 E111 T225 D226 R231 D232 Y233	Y110-K229 HydrophobicContact CD1-CD 4.32Å; Y110-K229 HydrophobicContact CE1-CD 3.8Å; Y110-K229 VanDerWaalsContact CE1-NZ 3.31Å; Y110-K229 PolarHBondContact O-NZ 3.25Å; E111-K229 HydrophobicContact CB-CD 4.36Å; E111-K229 HydrophobicContact CG-CD 4.35Å; T225-K229 WeakPolarHBondContact O-CG 3.2Å; T225-K229 PolarHBondContact O-N 3Å; D226-K229 PolarHBondContact O-N 3.12Å; D226-K229 IonicContact OD1-NZ 2.81Å; K229-R231 VanDerWaalsContact C-N 3.29Å; K229-R231 PolarHBondContact O-N 3.06Å; K229-D232 PolarHBondContact O-N 3.17Å; K229-Y233 WeakPolarHBondContact O-CB 3.38Å; K229-Y233 WeakPolarHBondContact O-CD2 3.46Å; K229-Y233 PolarHBondContact O-N 3.36Å
230	N	87.8	Confident	91.5	Very high	79 Å²	79	56 Å²	56	42%	0.422	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-33.9	179.1	-169.8	37.1	0	0	0	113.3	D226 K228 Y233 K238	D226-N230 WeakPolarHBondContact O-CB 3.46Å; D226-N230 PolarHBondContact O-N 3.4Å; K228-N230 VanDerWaalsContact C-N 3.32Å; K228-N230 PolarHBondContact O-N 3.17Å; N230-Y233 CarbonylContact O-C 3.49Å; N230-K238 PolarHBondContact OD1-NZ 3.45Å
231	R	88.8	Confident	91.1	Very high	172 Å²	172	63.4 Å²	63.4	65%	0.649	32%	0.322	S	S	*	.	H	α-helix	trans	-70	-45.1	173.4	-178.9	-162.5	67.2	176.7	1.2	111.6	L227 K228 K229 Y233	L227-R231 PolarHBondContact O-N 3.22Å; K228-R231 WeakPolarHBondContact O-CB 3.48Å; K228-R231 PolarHBondContact O-N 2.95Å; K228-R231 VanDerWaalsContact O-N 3.12Å; K229-R231 VanDerWaalsContact C-N 3.29Å; K229-R231 PolarHBondContact O-N 3.06Å; R231-Y233 VanDerWaalsContact C-N 3.31Å
232	D	91.6	Very high	90.9	Very high	85 Å²	85	68.4 Å²	68.4	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-75.1	-25.2	-175.2	-59.6	-15.9	0	0	0	111.5	K228 K229 P234	K228-D232 WeakPolarHBondContact O-CB 3.3Å; K228-D232 PolarHBondContact O-N 3.01Å; K229-D232 PolarHBondContact O-N 3.17Å; D232-P234 WeakPolarHBondContact O-CD 3.34Å
233	Y	94.4	Very high	91	Very high	67 Å²	67	70.1 Å²	70.1	26%	0.263	35%	0.351	S	S	.	.			trans	-126.1	71.2	-179.7	-60.8	-72.6	0	0	0	111.8	L84 K229 N230 R231 L235 A236 H454	L84-Y233 HydrophobicContact CB-CD1 3.88Å; L84-Y233 HydrophobicContact CB-CD2 4.33Å; L84-Y233 HydrophobicContact CB-CE1 4.25Å; L84-Y233 HydrophobicContact CB-CG 3.93Å; L84-Y233 HydrophobicContact CD1-CD2 4.36Å; L84-Y233 HydrophobicContact CD1-CE2 4.16Å; L84-Y233 HydrophobicContact CD2-CD2 3.69Å; L84-Y233 HydrophobicContact CD2-CE2 4.29Å; L84-Y233 HydrophobicContact CD2-CG 3.91Å; L84-Y233 HydrophobicContact CG-CD2 4.35Å; L84-Y233 HydrophobicContact CG-CG 4.4Å; L84-Y233 WeakPolarHBondContact O-CB 3.48Å; K229-Y233 WeakPolarHBondContact O-CB 3.38Å; K229-Y233 WeakPolarHBondContact O-CD2 3.46Å; K229-Y233 PolarHBondContact O-N 3.36Å; N230-Y233 CarbonylContact O-C 3.49Å; R231-Y233 VanDerWaalsContact C-N 3.31Å; Y233-L235 PolarHBondContact O-N 2.9Å; Y233-A236 VanDerWaalsContact O-CB 3.28Å; Y233-A236 WeakPolarHBondContact O-CB 3.41Å; Y233-A236 PolarHBondContact O-N 3.25Å; Y233-H454 AromaticContact CE1-ND1 3.8Å; Y233-H454 AromaticContact CZ-ND1 3.99Å; Y233-H454 PolarHBondContact OH-CE1 3.42Å; Y233-H454 PolarHBondContact OH-ND1 3.34Å
234	P	92.6	Very high	91.3	Very high	101 Å²	101	70 Å²	70	66%	0.656	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.5	-175.8	27.7	-35.8	0	0	0	113.6	D232 A236	D232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-A236 VanDerWaalsContact C-N 3.33Å
235	L	95.1	Very high	91.7	Very high	79 Å²	79	65.3 Å²	65.3	41%	0.414	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.1	178.6	-61.3	-178.7	0	0	0	113.4	K62 T63 G86 Y233 S237	K62-L235 HydrophobicContact CB-CB 4.24Å; K62-L235 HydrophobicContact CB-CD2 4.42Å; K62-L235 WeakPolarHBondContact CB-O 3.28Å; K62-L235 WeakPolarHBondContact CG-O 3.45Å; T63-L235 HydrophobicContact CG2-CD1 4.5Å; G86-L235 WeakPolarHBondContact CA-O 3.29Å; Y233-L235 PolarHBondContact O-N 2.9Å; L235-S237 PolarHBondContact O-N 3.21Å
236	A	96.6	Very high	92.2	Very high	12 Å²	12	61.6 Å²	61.6	10%	0.099	31%	0.311	C	S	.	.			trans	-55.7	129.5	-171.5	0	0	0	0	0	113.4	A83 L84 Y233 P234 K238 L244	A83-A236 CarbonylContact O-C 3.58Å; A83-A236 VanDerWaalsContact O-CA 3.28Å; A83-A236 WeakPolarHBondContact O-CA 3.01Å; L84-A236 WeakPolarHBondContact O-CA 3.3Å; Y233-A236 VanDerWaalsContact O-CB 3.28Å; Y233-A236 WeakPolarHBondContact O-CB 3.41Å; Y233-A236 PolarHBondContact O-N 3.25Å; P234-A236 VanDerWaalsContact C-N 3.33Å; A236-K238 PolarHBondContact O-N 2.96Å; A236-L244 HydrophobicContact CB-CD2 4.36Å
237	S	96.9	Very high	92.7	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.028	31%	0.306	C	S	.	.			trans	-74.1	108	176.9	-72.5	0	0	0	0	110.4	A83 G86 G87 L235 L244 L245	A83-S237 PolarHBondContact O-N 3Å; G86-S237 WeakPolarHBondContact CA-OG 3.45Å; G86-S237 PolarHBondContact O-OG 3.2Å; G87-S237 WeakPolarHBondContact O-CB 3.35Å; G87-S237 PolarHBondContact O-OG 3.4Å; L235-S237 PolarHBondContact O-N 3.21Å; S237-L244 WeakPolarHBondContact O-CA 3.32Å; S237-L245 PolarHBondContact O-N 3.33Å
238	K	95.1	Very high	93.3	Very high	48 Å²	48	59 Å²	59	21%	0.209	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-129.3	148.3	-174.2	-73.7	178.2	-95	-153.4	0	112.2	E111 N230 A236 Q243 L244	E111-K238 IonicContact OE1-NZ 3.66Å; E111-K238 PolarHBondContact OE1-NZ 3.48Å; N230-K238 PolarHBondContact OD1-NZ 3.45Å; A236-K238 PolarHBondContact O-N 2.96Å; K238-Q243 CarbonylContact C-O 3.56Å; K238-Q243 WeakPolarHBondContact CA-O 3.4Å; K238-L244 HydrophobicContact CG-CD2 4.05Å
239	D	93.3	Very high	93.8	Very high	30 Å²	30	54 Å²	54	16%	0.16	28%	0.275	C	S	.	.			trans	-79.2	-179	170.9	69	21.3	0	0	0	112.4	K108 K241 K242 Q243 L245	K108-D239 IonicContact NZ-OD2 3.6Å; K108-D239 PolarHBondContact NZ-OD2 3.46Å; D239-K241 PolarHBondContact O-N 3.38Å; D239-K241 VanDerWaalsContact OD1-C 3.25Å; D239-K241 VanDerWaalsContact OD1-CA 3.24Å; D239-K241 WeakPolarHBondContact OD1-CA 3.44Å; D239-K241 WeakPolarHBondContact OD1-CB 3.45Å; D239-K241 PolarHBondContact OD1-N 3.13Å; D239-K242 PolarHBondContact O-N 2.9Å; D239-K242 PolarHBondContact OD1-N 3.35Å; D239-Q243 PolarHBondContact N-O 3.47Å; D239-Q243 PolarHBondContact OD1-N 2.81Å; D239-Q243 WeakPolarHBondContact OD2-CB 3.46Å; D239-L245 HydrophobicContact CB-CD2 3.87Å
240	A	88.6	Confident	94.2	Very high	105 Å²	105	52.1 Å²	52.1	87%	0.868	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	177.8	0	0	0	0	0	113.6	K242	A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 2.86Å
241	K	86.4	Confident	94.6	Very high	159 Å²	159	48.5 Å²	48.5	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.2	176.6	-59.7	-179.4	-177.7	177.7	0	112.6	D239 Q243	D239-K241 PolarHBondContact O-N 3.38Å; D239-K241 VanDerWaalsContact OD1-C 3.25Å; D239-K241 VanDerWaalsContact OD1-CA 3.24Å; D239-K241 WeakPolarHBondContact OD1-CA 3.44Å; D239-K241 WeakPolarHBondContact OD1-CB 3.45Å; D239-K241 PolarHBondContact OD1-N 3.13Å; K241-Q243 HydrophobicContact CB-CG 4.27Å; K241-Q243 PolarHBondContact O-N 3.3Å
242	K	89.1	Confident	94.9	Very high	106 Å²	106	40.9 Å²	40.9	46%	0.461	22%	0.221	S	C	.	.	S	Bend	trans	64.6	20.7	-175.4	-53.8	-61	-176.2	-176.1	0	114	L194 D239 A240	L194-K242 HydrophobicContact CD2-CG 3.94Å; D239-K242 PolarHBondContact O-N 2.9Å; D239-K242 PolarHBondContact OD1-N 3.35Å; A240-K242 VanDerWaalsContact C-N 3.26Å; A240-K242 PolarHBondContact O-N 2.86Å
243	Q	93.3	Very high	94.9	Very high	37 Å²	37	38.9 Å²	38.9	17%	0.173	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-86.3	148.4	170.7	-56.1	179.7	-34.2	0	0	109.9	E111 Q112 K238 D239 K241	E111-Q243 WeakPolarHBondContact O-CA 3.5Å; Q112-Q243 HydrophobicContact CG-CG 4.22Å; K238-Q243 CarbonylContact C-O 3.56Å; K238-Q243 WeakPolarHBondContact CA-O 3.4Å; D239-Q243 PolarHBondContact N-O 3.47Å; D239-Q243 PolarHBondContact OD1-N 2.81Å; D239-Q243 WeakPolarHBondContact OD2-CB 3.46Å; K241-Q243 HydrophobicContact CB-CG 4.27Å; K241-Q243 PolarHBondContact O-N 3.3Å
244	L	96.7	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-58.6	142.1	174.9	-66.7	179.8	0	0	0	110.7	I80 A83 L84 V107 K108 Y110 E111 A236 S237 K238	I80-L244 HydrophobicContact CG2-CD1 4.11Å; A83-L244 HydrophobicContact CB-CB 3.92Å; A83-L244 HydrophobicContact CB-CD1 4.27Å; A83-L244 HydrophobicContact CB-CD2 4.08Å; A83-L244 HydrophobicContact CB-CG 4.31Å; L84-L244 HydrophobicContact CD2-CD1 4.26Å; L84-L244 HydrophobicContact CD2-CD2 4.12Å; L84-L244 HydrophobicContact CG-CD1 4.11Å; L84-L244 HydrophobicContact CG-CD2 4.45Å; V107-L244 HydrophobicContact CG1-CB 4.26Å; K108-L244 VanDerWaalsContact CD-O 3.29Å; K108-L244 WeakPolarHBondContact CD-O 3.38Å; K108-L244 WeakPolarHBondContact CE-O 3.42Å; K108-L244 PolarHBondContact NZ-O 2.85Å; Y110-L244 HydrophobicContact CD1-CD1 3.9Å; Y110-L244 HydrophobicContact CG-CD1 4.48Å; E111-L244 HydrophobicContact CB-CG 4.19Å; A236-L244 HydrophobicContact CB-CD2 4.36Å; S237-L244 WeakPolarHBondContact O-CA 3.32Å; K238-L244 HydrophobicContact CG-CD2 4.05Å
245	L	98.4	Very high	94.7	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.058	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-69.9	137.8	172.9	-67.1	-177.2	0	0	0	110.6	I59 L61 I88 S237 D239 D269	I59-L245 HydrophobicContact CG2-CD1 3.74Å; L61-L245 HydrophobicContact CD2-CD1 3.97Å; I88-L245 HydrophobicContact CD1-CB 3.92Å; I88-L245 HydrophobicContact CG1-CB 4.27Å; S237-L245 PolarHBondContact O-N 3.33Å; D239-L245 HydrophobicContact CB-CD2 3.87Å; L245-D269 WeakPolarHBondContact CA-OD2 3.41Å; L245-D269 HydrophobicContact CD2-CB 4.07Å
246	C	98.5	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.			trans	-136.1	131	179.8	-169.6	0	0	0	0	111.2	V107 K108 V268 D269	V107-C246 HydrophobicContact CB-CB 4.12Å; V107-C246 HydrophobicContact CG1-CB 3.75Å; K108-C246 HydrophobicContact CD-CB 3.88Å; K108-C246 HydrophobicContact CG-CB 4.46Å; C246-V268 WeakPolarHBondContact O-CG2 3.47Å; C246-D269 PolarHBondContact N-OD2 3.47Å; C246-D269 PolarHBondContact O-N 3Å
247	G	98.7	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	156.5	171.2	0	0	0	0	0	112.2	G89 F90 I91 V270	G89-G247 WeakPolarHBondContact O-CA 3.4Å; G89-G247 PolarHBondContact O-N 2.6Å; F90-G247 CarbonylContact C-O 3.56Å; F90-G247 WeakPolarHBondContact CA-O 3.48Å; I91-G247 PolarHBondContact N-O 2.87Å; G247-V270 VanDerWaalsContact CA-O 3.25Å; G247-V270 WeakPolarHBondContact CA-O 3.31Å
248	A	98.8	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.7	170.9	0	0	0	0	0	111.2	V104 L263 V268 V270 V271 V272	V104-A248 HydrophobicContact CG2-CB 4.29Å; A248-L263 HydrophobicContact CB-CD1 3.9Å; A248-L263 HydrophobicContact CB-CD2 4.01Å; A248-V268 HydrophobicContact CB-CG2 3.87Å; A248-V270 PolarHBondContact N-O 3.11Å; A248-V270 VanDerWaalsContact N-O 3.11Å; A248-V271 CarbonylContact O-C 3.46Å; A248-V271 VanDerWaalsContact O-CA 3.28Å; A248-V271 WeakPolarHBondContact O-CA 3.34Å; A248-V272 PolarHBondContact O-N 3.2Å
249	A	98.6	Very high	95	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	149.3	169.5	0	0	0	0	0	111.3	P69 I91 H93 Q100 V272 D274	P69-A249 HydrophobicContact CB-CB 3.51Å; P69-A249 HydrophobicContact CG-CB 4.04Å; I91-A249 PolarHBondContact O-N 2.94Å; H93-A249 WeakPolarHBondContact CB-O 3.22Å; Q100-A249 PolarHBondContact NE2-O 3.03Å; A249-V272 CarbonylContact C-O 3.33Å; A249-V272 WeakPolarHBondContact CA-O 3.47Å; A249-V272 HydrophobicContact CB-CG1 3.69Å; A249-D274 HydrophobicContact CB-CB 4.19Å
250	I	98.1	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.9	166.2	62.6	174.4	0	0	0	109.2	R259 L260 L263 V272 L273 D274 I290	I250-R259 HydrophobicContact CG2-CG 4.07Å; I250-L260 HydrophobicContact CD1-CB 4.31Å; I250-L260 HydrophobicContact CD1-CD1 4.18Å; I250-L263 HydrophobicContact CG2-CD1 3.52Å; I250-V272 PolarHBondContact N-O 2.93Å; I250-L273 HydrophobicContact CD1-CD2 3.56Å; I250-L273 HydrophobicContact CG1-CD2 3.44Å; I250-L273 VanDerWaalsContact CG1-CD2 3.44Å; I250-D274 PolarHBondContact O-N 3.04Å; I250-I290 HydrophobicContact CD1-CD1 4.18Å
251	G	96.4	Very high	95.7	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	19%	0.19	C	C	.	.			trans	-78.4	-163.1	170.4	0	0	0	0	0	112.1	D256	G251-D256 WeakPolarHBondContact CA-OD2 3.41Å; G251-D256 PolarHBondContact N-OD1 3.28Å
252	T	96.1	Very high	96.3	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	16%	0.163	C	C	.	.	S	Bend	trans	-120.5	9.8	-179.1	59.6	0	0	0	0	113.3	D256 Q283	T252-D256 PolarHBondContact N-OD2 3.04Å; T252-Q283 HydrophobicContact CG2-CB 3.8Å; T252-Q283 HydrophobicContact CG2-CG 3.78Å
253	H	90.4	Very high	96.7	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.199	14%	0.141	C	C	.	.	S	Bend	trans	-85.3	164.7	-178.8	-65.3	-96.3	0	0	0	110.8	D255 D256 M286 N428 E433	H253-D255 VanDerWaalsContact C-N 3.27Å; H253-D255 PolarHBondContact O-N 3.3Å; H253-D256 PolarHBondContact N-OD2 3.35Å; H253-D256 VanDerWaalsContact N-OD2 3.11Å; H253-D256 WeakPolarHBondContact O-CB 3.05Å; H253-D256 PolarHBondContact O-N 3.24Å; H253-D256 VanDerWaalsContact O-N 3.1Å; H253-M286 VanDerWaalsContact O-CE 3.29Å; H253-M286 WeakPolarHBondContact O-CE 3.38Å; H253-N428 PolarHBondContact CD2-ND2 3.44Å; H253-N428 VanDerWaalsContact NE2-CB 3.31Å; H253-N428 WeakPolarHBondContact NE2-CB 3.07Å; H253-E433 IonicContact CE1-OE1 2.65Å; H253-E433 PolarHBondContact CE1-OE1 2.89Å
254	E	91.3	Very high	96.9	Very high	130 Å²	130	29.3 Å²	29.3	61%	0.607	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-38.9	-179.9	-77.7	-66	140.5	0	0	112.5	D256 K257	E254-D256 PolarHBondContact O-N 3.19Å; E254-K257 VanDerWaalsContact O-CB 3.28Å; E254-K257 WeakPolarHBondContact O-CB 3.46Å; E254-K257 WeakPolarHBondContact O-CG 3.17Å; E254-K257 PolarHBondContact O-N 2.91Å; E254-K257 WeakPolarHBondContact OE1-CE 3.4Å; E254-K257 IonicContact OE1-NZ 2.8Å; E254-K257 PolarHBondContact OE1-NZ 3.23Å; E254-K257 WeakPolarHBondContact OE2-CD 3.25Å; E254-K257 VanDerWaalsContact OE2-CE 3.25Å; E254-K257 WeakPolarHBondContact OE2-CE 3.44Å; E254-K257 IonicContact OE2-NZ 3.47Å; E254-K257 PolarHBondContact OE2-NZ 3.12Å
255	D	91.8	Very high	96.9	Very high	136 Å²	136	36.5 Å²	36.5	73%	0.727	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.6	178.7	-61.1	-22.8	0	0	0	113.1	H253 K257 Y258	H253-D255 VanDerWaalsContact C-N 3.27Å; H253-D255 PolarHBondContact O-N 3.3Å; D255-K257 PolarHBondContact O-N 3.27Å; D255-Y258 PolarHBondContact O-N 3.1Å
256	D	96.6	Very high	96.8	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-14.5	175.8	-69.9	-64.6	0	0	0	112.2	G251 T252 H253 E254 R259 L260 M286	G251-D256 WeakPolarHBondContact CA-OD2 3.41Å; G251-D256 PolarHBondContact N-OD1 3.28Å; T252-D256 PolarHBondContact N-OD2 3.04Å; H253-D256 PolarHBondContact N-OD2 3.35Å; H253-D256 VanDerWaalsContact N-OD2 3.11Å; H253-D256 WeakPolarHBondContact O-CB 3.05Å; H253-D256 PolarHBondContact O-N 3.24Å; H253-D256 VanDerWaalsContact O-N 3.1Å; E254-D256 PolarHBondContact O-N 3.19Å; D256-R259 WeakPolarHBondContact O-CB 3.31Å; D256-R259 PolarHBondContact O-N 3.14Å; D256-R259 IonicContact OD1-NE 3.88Å; D256-L260 WeakPolarHBondContact O-CB 3.47Å; D256-L260 PolarHBondContact O-N 3.15Å; D256-M286 HydrophobicContact CB-CE 4.37Å
257	K	97.9	Very high	96.7	Very high	42 Å²	42	38 Å²	38	18%	0.183	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-39.9	172.5	-64.8	179	178.2	167.5	0	111.9	E254 D255 L260 D261 M286 Y289	E254-K257 VanDerWaalsContact O-CB 3.28Å; E254-K257 WeakPolarHBondContact O-CB 3.46Å; E254-K257 WeakPolarHBondContact O-CG 3.17Å; E254-K257 PolarHBondContact O-N 2.91Å; E254-K257 WeakPolarHBondContact OE1-CE 3.4Å; E254-K257 IonicContact OE1-NZ 2.8Å; E254-K257 PolarHBondContact OE1-NZ 3.23Å; E254-K257 WeakPolarHBondContact OE2-CD 3.25Å; E254-K257 VanDerWaalsContact OE2-CE 3.25Å; E254-K257 WeakPolarHBondContact OE2-CE 3.44Å; E254-K257 IonicContact OE2-NZ 3.47Å; E254-K257 PolarHBondContact OE2-NZ 3.12Å; D255-K257 PolarHBondContact O-N 3.27Å; K257-L260 WeakPolarHBondContact O-CB 3.33Å; K257-L260 PolarHBondContact O-N 2.54Å; K257-D261 VanDerWaalsContact O-CG 3.29Å; K257-D261 PolarHBondContact O-N 3.33Å; K257-M286 HydrophobicContact CG-CE 3.9Å; K257-M286 HydrophobicContact CG-SD 4.28Å; K257-Y289 HydrophobicContact CB-CE1 4.03Å; K257-Y289 HydrophobicContact CD-CD1 4.18Å; K257-Y289 HydrophobicContact CD-CD2 4.41Å; K257-Y289 HydrophobicContact CD-CE1 3.78Å; K257-Y289 HydrophobicContact CD-CE2 4.02Å; K257-Y289 HydrophobicContact CD-CG 4.48Å; K257-Y289 HydrophobicContact CG-CD1 4.05Å; K257-Y289 HydrophobicContact CG-CE1 3.62Å
258	Y	97.8	Very high	96.7	Very high	128 Å²	128	38.5 Å²	38.5	50%	0.502	20%	0.197	S	C	.	.	H	α-helix	trans	-66.3	-41.3	175	172.7	-107.2	0	0	0	111.2	P97 E98 D255 L260 D261 L262	P97-Y258 HydrophobicContact CB-CD1 4.33Å; P97-Y258 HydrophobicContact CB-CE1 4.21Å; P97-Y258 HydrophobicContact CG-CD1 4.3Å; P97-Y258 HydrophobicContact CG-CE1 4.42Å; E98-Y258 WeakPolarHBondContact OE1-CE1 3.41Å; E98-Y258 PolarHBondContact OE1-OH 3.05Å; E98-Y258 VanDerWaalsContact OE1-OH 3.11Å; D255-Y258 PolarHBondContact O-N 3.1Å; Y258-L260 PolarHBondContact O-N 3.07Å; Y258-D261 PolarHBondContact O-N 2.94Å; Y258-L262 HydrophobicContact CD1-CD1 4.46Å; Y258-L262 HydrophobicContact CE1-CD1 3.74Å; Y258-L262 HydrophobicContact CE1-CG 4.42Å; Y258-L262 HydrophobicContact CE2-CD1 4.45Å; Y258-L262 HydrophobicContact CE2-CD2 4.49Å; Y258-L262 HydrophobicContact CE2-CG 4.38Å; Y258-L262 PolarHBondContact O-N 2.84Å
259	R	98.1	Very high	96.7	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.06	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-47.5	173.1	176	-176.3	-67.2	-79.9	-2.3	111.8	C95 T96 P97 Q100 I250 D256 D261 L262 L263	C95-R259 PolarHBondContact O-NH1 3.17Å; C95-R259 PolarHBondContact O-NH2 3.43Å; T96-R259 PolarHBondContact O-NH1 3.17Å; P97-R259 HydrophobicContact CB-CB 4.07Å; P97-R259 HydrophobicContact CB-CG 4.28Å; P97-R259 HydrophobicContact CG-CB 4.17Å; Q100-R259 VanDerWaalsContact OE1-CD 3.22Å; I250-R259 HydrophobicContact CG2-CG 4.07Å; D256-R259 WeakPolarHBondContact O-CB 3.31Å; D256-R259 PolarHBondContact O-N 3.14Å; D256-R259 IonicContact OD1-NE 3.88Å; R259-D261 VanDerWaalsContact C-N 3.28Å; R259-D261 PolarHBondContact O-N 2.79Å; R259-L262 PolarHBondContact O-N 2.97Å; R259-L263 HydrophobicContact CG-CD1 3.98Å; R259-L263 HydrophobicContact CG-CG 4.44Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.4Å; R259-L263 PolarHBondContact O-N 2.56Å
260	L	98.4	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-43.3	176.3	172.8	71.9	0	0	0	111.7	I250 D256 K257 Y258 L262 L263 A264 V271 Y289 I290 Y294 L297	I250-L260 HydrophobicContact CD1-CB 4.31Å; I250-L260 HydrophobicContact CD1-CD1 4.18Å; D256-L260 WeakPolarHBondContact O-CB 3.47Å; D256-L260 PolarHBondContact O-N 3.15Å; K257-L260 WeakPolarHBondContact O-CB 3.33Å; K257-L260 PolarHBondContact O-N 2.54Å; Y258-L260 PolarHBondContact O-N 3.07Å; L260-L262 PolarHBondContact O-N 3.31Å; L260-L263 PolarHBondContact O-N 3.25Å; L260-A264 WeakPolarHBondContact O-CB 3.45Å; L260-A264 PolarHBondContact O-N 2.75Å; L260-V271 HydrophobicContact CD1-CG1 4.12Å; L260-V271 HydrophobicContact CD1-CG2 4.43Å; L260-Y289 HydrophobicContact CD2-CD1 4.4Å; L260-Y289 HydrophobicContact CD2-CE1 4.15Å; L260-I290 HydrophobicContact CD1-CG1 4.47Å; L260-I290 HydrophobicContact CD2-CD1 4.39Å; L260-I290 HydrophobicContact CD2-CG1 3.59Å; L260-Y294 HydrophobicContact CD2-CD2 3.94Å; L260-Y294 HydrophobicContact CD2-CE2 3.85Å; L260-Y294 HydrophobicContact CG-CD2 4.21Å; L260-Y294 HydrophobicContact CG-CE2 3.95Å; L260-L297 HydrophobicContact CD1-CD2 3.8Å
261	D	98.4	Very high	96.7	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-44	179.9	-70.2	-12.5	0	0	0	111.9	K257 Y258 R259 L263 A264 Q265 K293 Y294	K257-D261 VanDerWaalsContact O-CG 3.29Å; K257-D261 PolarHBondContact O-N 3.33Å; Y258-D261 PolarHBondContact O-N 2.94Å; R259-D261 VanDerWaalsContact C-N 3.28Å; R259-D261 PolarHBondContact O-N 2.79Å; D261-L263 PolarHBondContact O-N 3.22Å; D261-A264 PolarHBondContact O-N 3.36Å; D261-Q265 WeakPolarHBondContact O-CB 3.21Å; D261-Q265 VanDerWaalsContact O-CG 3.22Å; D261-Q265 WeakPolarHBondContact O-CG 3.38Å; D261-Q265 PolarHBondContact O-N 2.9Å; D261-K293 WeakPolarHBondContact OD1-CE 3.38Å; D261-K293 IonicContact OD1-NZ 2.71Å; D261-K293 PolarHBondContact OD1-NZ 2.67Å; D261-K293 IonicContact OD2-NZ 3.4Å; D261-K293 PolarHBondContact OD2-NZ 2.99Å; D261-Y294 WeakPolarHBondContact OD1-CE2 3.49Å; D261-Y294 PolarHBondContact OD1-OH 3.36Å
262	L	98.4	Very high	96.9	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-37.3	175.9	-65.3	-178.3	0	0	0	112.7	P97 E98 A101 Y258 R259 L260 A266	P97-L262 HydrophobicContact CB-CD1 3.75Å; E98-L262 HydrophobicContact CG-CD1 4.25Å; A101-L262 HydrophobicContact CB-CB 3.95Å; Y258-L262 HydrophobicContact CD1-CD1 4.46Å; Y258-L262 HydrophobicContact CE1-CD1 3.74Å; Y258-L262 HydrophobicContact CE1-CG 4.42Å; Y258-L262 HydrophobicContact CE2-CD1 4.45Å; Y258-L262 HydrophobicContact CE2-CD2 4.49Å; Y258-L262 HydrophobicContact CE2-CG 4.38Å; Y258-L262 PolarHBondContact O-N 2.84Å; R259-L262 PolarHBondContact O-N 2.97Å; L260-L262 PolarHBondContact O-N 3.31Å; L262-A266 WeakPolarHBondContact O-CB 3.48Å; L262-A266 PolarHBondContact O-N 3.42Å
263	L	98.4	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-41.4	176.9	-66.5	170.7	0	0	0	111.8	Q100 A101 V104 A248 I250 R259 L260 D261 A266 G267 V268	Q100-L263 HydrophobicContact CB-CD2 4.27Å; Q100-L263 HydrophobicContact CG-CD2 3.88Å; A101-L263 HydrophobicContact CB-CD2 4.48Å; V104-L263 HydrophobicContact CG2-CD2 3.77Å; A248-L263 HydrophobicContact CB-CD1 3.9Å; A248-L263 HydrophobicContact CB-CD2 4.01Å; I250-L263 HydrophobicContact CG2-CD1 3.52Å; R259-L263 HydrophobicContact CG-CD1 3.98Å; R259-L263 HydrophobicContact CG-CG 4.44Å; R259-L263 VanDerWaalsContact O-CG 3.31Å; R259-L263 WeakPolarHBondContact O-CG 3.4Å; R259-L263 PolarHBondContact O-N 2.56Å; L260-L263 PolarHBondContact O-N 3.25Å; D261-L263 PolarHBondContact O-N 3.22Å; L263-A266 WeakPolarHBondContact O-CB 3.37Å; L263-A266 PolarHBondContact O-N 3.49Å; L263-G267 PolarHBondContact O-N 3.07Å; L263-G267 VanDerWaalsContact O-N 3.15Å; L263-V268 HydrophobicContact CB-CB 4.33Å; L263-V268 HydrophobicContact CB-CG1 3.9Å; L263-V268 WeakPolarHBondContact O-CG1 3.35Å; L263-V268 PolarHBondContact O-N 2.98Å; L263-V268 VanDerWaalsContact O-N 3.08Å
264	A	97.9	Very high	97.3	Very high	29 Å²	29	37.2 Å²	37.2	24%	0.24	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-43.8	175.3	0	0	0	0	0	110.9	L260 D261 A266 G267 Y294	L260-A264 WeakPolarHBondContact O-CB 3.45Å; L260-A264 PolarHBondContact O-N 2.75Å; D261-A264 PolarHBondContact O-N 3.36Å; A264-A266 VanDerWaalsContact C-N 3.31Å; A264-A266 PolarHBondContact O-N 2.98Å; A264-G267 PolarHBondContact O-N 3.3Å; A264-Y294 HydrophobicContact CB-CD1 4.2Å; A264-Y294 HydrophobicContact CB-CE1 3.8Å; A264-Y294 HydrophobicContact CB-CE2 4.29Å
265	Q	96.8	Very high	97.4	Very high	151 Å²	151	31.1 Å²	31.1	71%	0.706	16%	0.163	S	C	*	.	H	α-helix	trans	-62.8	-35.9	173.4	-70.7	170	25.1	0	0	112.6	D261 G267	D261-Q265 WeakPolarHBondContact O-CB 3.21Å; D261-Q265 VanDerWaalsContact O-CG 3.22Å; D261-Q265 WeakPolarHBondContact O-CG 3.38Å; D261-Q265 PolarHBondContact O-N 2.9Å; Q265-G267 PolarHBondContact O-N 3.2Å
266	A	96.4	Very high	97.4	Very high	11 Å²	11	25.3 Å²	25.3	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-70.1	-12.2	174.7	0	0	0	0	0	113.5	A101 V104 R105 L262 L263 A264	A101-A266 HydrophobicContact CB-CB 4.26Å; V104-A266 HydrophobicContact CB-CB 4.14Å; V104-A266 HydrophobicContact CG1-CB 3.91Å; R105-A266 HydrophobicContact CG-CB 3.75Å; L262-A266 WeakPolarHBondContact O-CB 3.48Å; L262-A266 PolarHBondContact O-N 3.42Å; L263-A266 WeakPolarHBondContact O-CB 3.37Å; L263-A266 PolarHBondContact O-N 3.49Å; A264-A266 VanDerWaalsContact C-N 3.31Å; A264-A266 PolarHBondContact O-N 2.98Å
267	G	96.1	Very high	97.4	Very high	30 Å²	30	27.2 Å²	27.2	31%	0.309	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	34.2	178.5	0	0	0	0	0	114.2	K108 L263 A264 Q265	K108-G267 WeakPolarHBondContact CD-O 3.44Å; K108-G267 VanDerWaalsContact CE-O 3.3Å; K108-G267 WeakPolarHBondContact CE-O 3.45Å; L263-G267 PolarHBondContact O-N 3.07Å; L263-G267 VanDerWaalsContact O-N 3.15Å; A264-G267 PolarHBondContact O-N 3.3Å; Q265-G267 PolarHBondContact O-N 3.2Å
268	V	98.4	Very high	97.4	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	13%	0.133	C	C	.	.			trans	-60.1	138.4	170.8	74	0	0	0	0	110.7	V104 C246 A248 L263 V270 V271 L297	V104-V268 HydrophobicContact CG1-CB 4.08Å; C246-V268 WeakPolarHBondContact O-CG2 3.47Å; A248-V268 HydrophobicContact CB-CG2 3.87Å; L263-V268 HydrophobicContact CB-CB 4.33Å; L263-V268 HydrophobicContact CB-CG1 3.9Å; L263-V268 WeakPolarHBondContact O-CG1 3.35Å; L263-V268 PolarHBondContact O-N 2.98Å; L263-V268 VanDerWaalsContact O-N 3.08Å; V268-V270 WeakPolarHBondContact CG2-O 3.29Å; V268-V271 HydrophobicContact CG1-CG1 3.93Å; V268-V271 HydrophobicContact CG2-CG1 4.41Å; V268-L297 HydrophobicContact CG1-CD1 4.01Å
269	D	98.5	Very high	97.4	Very high	29 Å²	29	21.4 Å²	21.4	16%	0.155	12%	0.121	C	C	.	.	S	Bend	trans	-89.7	-31.9	-177.1	-56.5	-79.6	0	0	0	112.2	I59 K108 L245 C246	I59-D269 HydrophobicContact CD1-CB 4.31Å; K108-D269 VanDerWaalsContact NZ-CG 3.26Å; K108-D269 IonicContact NZ-OD1 3.87Å; K108-D269 PolarHBondContact NZ-OD1 3.35Å; K108-D269 IonicContact NZ-OD2 2.77Å; K108-D269 PolarHBondContact NZ-OD2 2.62Å; L245-D269 WeakPolarHBondContact CA-OD2 3.41Å; L245-D269 HydrophobicContact CD2-CB 4.07Å; C246-D269 PolarHBondContact N-OD2 3.47Å; C246-D269 PolarHBondContact O-N 3Å
270	V	98.8	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.2	-176.7	58	0	0	0	0	111.1	L55 T56 I59 I88 F90 G247 A248 V268 Q298 I300	L55-V270 HydrophobicContact CD2-CG1 4.13Å; T56-V270 HydrophobicContact CG2-CG2 3.93Å; I59-V270 HydrophobicContact CD1-CB 3.97Å; I59-V270 HydrophobicContact CD1-CG1 4.44Å; I88-V270 HydrophobicContact CD1-CG1 3.77Å; F90-V270 HydrophobicContact CE1-CG1 3.83Å; F90-V270 HydrophobicContact CE1-CG2 4.3Å; F90-V270 HydrophobicContact CZ-CG1 3.8Å; F90-V270 HydrophobicContact CZ-CG2 4.4Å; G247-V270 VanDerWaalsContact CA-O 3.25Å; G247-V270 WeakPolarHBondContact CA-O 3.31Å; A248-V270 PolarHBondContact N-O 3.11Å; A248-V270 VanDerWaalsContact N-O 3.11Å; V268-V270 WeakPolarHBondContact CG2-O 3.29Å; V270-Q298 WeakPolarHBondContact CA-O 3.28Å; V270-Q298 HydrophobicContact CB-CB 4.15Å; V270-Q298 HydrophobicContact CG2-CB 4.01Å; V270-I300 HydrophobicContact CG2-CD1 3.54Å; V270-I300 HydrophobicContact CG2-CG1 3.81Å
271	V	98.8	Very high	97.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.4	173.7	-65	0	0	0	0	111	A248 L260 V268 I290 L297 Q298 V299 I300	A248-V271 CarbonylContact O-C 3.46Å; A248-V271 VanDerWaalsContact O-CA 3.28Å; A248-V271 WeakPolarHBondContact O-CA 3.34Å; L260-V271 HydrophobicContact CD1-CG1 4.12Å; L260-V271 HydrophobicContact CD1-CG2 4.43Å; V268-V271 HydrophobicContact CG1-CG1 3.93Å; V268-V271 HydrophobicContact CG2-CG1 4.41Å; V271-I290 HydrophobicContact CG2-CD1 4.33Å; V271-L297 HydrophobicContact CG1-CD2 4.07Å; V271-L297 HydrophobicContact CG2-CD2 4.01Å; V271-L297 HydrophobicContact CG2-CG 4.33Å; V271-Q298 PolarHBondContact N-O 2.95Å; V271-V299 HydrophobicContact CG2-CG1 4.45Å; V271-V299 HydrophobicContact CG2-CG2 4.15Å; V271-I300 PolarHBondContact O-N 2.7Å
272	V	98.8	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	170.7	64.8	0	0	0	0	109.7	P69 F90 A248 A249 I250 D274 I300	P69-V272 HydrophobicContact CG-CG1 4.25Å; F90-V272 HydrophobicContact CD1-CB 4.04Å; F90-V272 HydrophobicContact CD1-CG1 3.57Å; F90-V272 HydrophobicContact CE1-CB 4.02Å; F90-V272 HydrophobicContact CE1-CG1 4.08Å; F90-V272 HydrophobicContact CG-CG1 4.27Å; A248-V272 PolarHBondContact O-N 3.2Å; A249-V272 CarbonylContact C-O 3.33Å; A249-V272 WeakPolarHBondContact CA-O 3.47Å; A249-V272 HydrophobicContact CB-CG1 3.69Å; I250-V272 PolarHBondContact N-O 2.93Å; V272-D274 PolarHBondContact O-N 2.67Å; V272-I300 WeakPolarHBondContact CA-O 3.25Å; V272-I300 HydrophobicContact CB-CB 4.14Å; V272-I300 HydrophobicContact CG2-CB 4.02Å; V272-I300 HydrophobicContact CG2-CG2 3.88Å
273	L	98.6	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	106.8	171.6	-57.7	-176.5	0	0	0	107.6	I250 Q283 M286 I287 I290 V299 I300 G302	I250-L273 HydrophobicContact CD1-CD2 3.56Å; I250-L273 HydrophobicContact CG1-CD2 3.44Å; I250-L273 VanDerWaalsContact CG1-CD2 3.44Å; L273-Q283 HydrophobicContact CB-CG 3.91Å; L273-Q283 HydrophobicContact CD1-CG 3.53Å; L273-Q283 HydrophobicContact CG-CG 4.36Å; L273-M286 HydrophobicContact CD1-CB 4.36Å; L273-M286 HydrophobicContact CD1-CG 4.18Å; L273-M286 HydrophobicContact CD2-CG 3.89Å; L273-I287 HydrophobicContact CD1-CD1 4.21Å; L273-I287 HydrophobicContact CD1-CG1 3.39Å; L273-I290 HydrophobicContact CD1-CD1 4.48Å; L273-I290 HydrophobicContact CD2-CD1 3.86Å; L273-V299 HydrophobicContact CD1-CG1 4.2Å; L273-V299 HydrophobicContact CG-CG1 4.24Å; L273-I300 PolarHBondContact N-O 3.31Å; L273-G302 VanDerWaalsContact O-O 3.06Å
274	D	96.8	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	17%	0.166	C	C	.	.			trans	-94.7	107.3	-171.3	-167	36	0	0	0	110.5	H93 A249 I250 V272 R322 R429	H93-D274 IonicContact NE2-OD2 3.33Å; A249-D274 HydrophobicContact CB-CB 4.19Å; I250-D274 PolarHBondContact O-N 3.04Å; V272-D274 PolarHBondContact O-N 2.67Å; D274-R322 IonicContact OD1-CZ 2.86Å; D274-R322 IonicContact OD1-NH1 3.65Å; D274-R322 PolarHBondContact OD1-NH1 3.25Å; D274-R322 IonicContact OD1-NH2 2.92Å; D274-R429 IonicContact OD1-CZ 3.31Å; D274-R429 IonicContact OD1-NE 2.63Å; D274-R429 IonicContact OD1-NH1 2.58Å; D274-R429 PolarHBondContact OD1-NH1 3.38Å; D274-R429 IonicContact OD1-NH2 2.77Å; D274-R429 PolarHBondContact OD1-NH2 3.35Å; D274-R429 WeakPolarHBondContact OD2-CD 3.36Å; D274-R429 IonicContact OD2-CZ 2.65Å; D274-R429 VanDerWaalsContact OD2-CZ 3.22Å; D274-R429 IonicContact OD2-NE 3.23Å; D274-R429 PolarHBondContact OD2-NE 3.25Å; D274-R429 IonicContact OD2-NH1 3.37Å; D274-R429 PolarHBondContact OD2-NH1 3.17Å
275	S	94.5	Very high	97.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	18%	0.176	C	C	.	.			trans	-138	148.6	173.7	-177.8	0	0	0	0	109.9	Q277 N303	S275-Q277 PolarHBondContact O-N 2.77Å; S275-Q277 PolarHBondContact OG-N 3.13Å; S275-Q277 PolarHBondContact OG-O 3.38Å; S275-N303 PolarHBondContact O-N 2.71Å
276	S	91.3	Very high	97.5	Very high	13 Å²	13	26.3 Å²	26.3	9%	0.091	14%	0.144	C	C	.	.	S	Bend	trans	-60.9	-35.2	170.4	56.4	0	0	0	0	112.4	M325 R429	S276-M325 WeakPolarHBondContact O-CG 3.35Å; S276-R429 PolarHBondContact N-O 2.94Å; S276-R429 PolarHBondContact OG-O 3.33Å; S276-R429 VanDerWaalsContact OG-O 3.05Å
277	Q	96.9	Very high	97.6	Very high	52 Å²	52	25.8 Å²	25.8	24%	0.243	14%	0.14	C	C	.	.	S	Bend	trans	-140.5	96.5	178.9	-162.4	-66.2	101.5	0	0	109.2	S275 N279 M325	S275-Q277 PolarHBondContact O-N 2.77Å; S275-Q277 PolarHBondContact OG-N 3.13Å; S275-Q277 PolarHBondContact OG-O 3.38Å; Q277-N279 PolarHBondContact NE2-O 3.38Å; Q277-N279 VanDerWaalsContact NE2-O 3.14Å; Q277-N279 PolarHBondContact O-N 2.97Å; Q277-M325 HydrophobicContact CB-CE 4.15Å; Q277-M325 HydrophobicContact CB-SD 4.33Å; Q277-M325 HydrophobicContact CG-CE 4.37Å; Q277-M325 HydrophobicContact CG-SD 4.26Å
278	G	97.2	Very high	97.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-78.5	-10	-166.6	0	0	0	0	0	116.6	S280 Q283 G302 N303	G278-S280 VanDerWaalsContact C-N 3.25Å; G278-S280 PolarHBondContact O-N 3.09Å; G278-Q283 WeakPolarHBondContact O-CB 3.38Å; G278-Q283 PolarHBondContact O-NE2 2.89Å; G278-G302 WeakPolarHBondContact CA-O 3.23Å; G278-N303 PolarHBondContact N-O 3.34Å
279	N	98.1	Very high	97.7	Very high	47 Å²	47	32 Å²	32	25%	0.251	16%	0.156	S	C	.	.			trans	-80.4	76.7	175.3	-174	37.3	0	0	0	109.9	Q277 Q309 N312	Q277-N279 PolarHBondContact NE2-O 3.38Å; Q277-N279 VanDerWaalsContact NE2-O 3.14Å; Q277-N279 PolarHBondContact O-N 2.97Å; N279-Q309 HydrophobicContact CB-CB 3.91Å; N279-Q309 HydrophobicContact CB-CG 3.65Å; N279-N312 PolarHBondContact ND2-ND2 3.46Å; N279-N312 WeakPolarHBondContact OD1-CB 3.45Å; N279-N312 PolarHBondContact OD1-ND2 2.96Å
280	S	98	Very high	97.7	Very high	19 Å²	19	30.6 Å²	30.6	13%	0.133	15%	0.149	C	C	.	.	S	Bend	trans	-132.1	155.2	177.4	75.2	0	0	0	0	110.8	G278 F282 Q283 I284	G278-S280 VanDerWaalsContact C-N 3.25Å; G278-S280 PolarHBondContact O-N 3.09Å; S280-F282 PolarHBondContact O-N 2.97Å; S280-Q283 PolarHBondContact O-N 3.41Å; S280-Q283 PolarHBondContact OG-N 3.01Å; S280-Q283 VanDerWaalsContact OG-N 3.16Å; S280-I284 WeakPolarHBondContact O-CG1 3.11Å; S280-I284 PolarHBondContact O-N 3.36Å
281	I	97.7	Very high	97.7	Very high	102 Å²	102	32.9 Å²	32.9	52%	0.523	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-34.6	175.9	-170	57.5	0	0	0	111.5	I284 N285	I281-I284 PolarHBondContact O-N 3.05Å; I281-N285 WeakPolarHBondContact O-CB 3.23Å; I281-N285 PolarHBondContact O-N 2.91Å; I281-N285 PolarHBondContact O-ND2 3.39Å
282	F	97.8	Very high	97.7	Very high	117 Å²	117	40.7 Å²	40.7	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-60.9	-49.1	177.2	-54	-65	0	0	0	111.3	S280 N285 M286 F431	S280-F282 PolarHBondContact O-N 2.97Å; F282-N285 PolarHBondContact O-N 2.88Å; F282-M286 WeakPolarHBondContact O-CB 3.36Å; F282-M286 PolarHBondContact O-N 2.98Å; F282-F431 HydrophobicContact CD2-CE1 4.42Å
283	Q	98.3	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-42.2	179.7	-161	170.8	136.1	0	0	111.7	T252 L273 G278 S280 N285 M286 I287 G302	T252-Q283 HydrophobicContact CG2-CB 3.8Å; T252-Q283 HydrophobicContact CG2-CG 3.78Å; L273-Q283 HydrophobicContact CB-CG 3.91Å; L273-Q283 HydrophobicContact CD1-CG 3.53Å; L273-Q283 HydrophobicContact CG-CG 4.36Å; G278-Q283 WeakPolarHBondContact O-CB 3.38Å; G278-Q283 PolarHBondContact O-NE2 2.89Å; S280-Q283 PolarHBondContact O-N 3.41Å; S280-Q283 PolarHBondContact OG-N 3.01Å; S280-Q283 VanDerWaalsContact OG-N 3.16Å; Q283-N285 VanDerWaalsContact C-N 3.32Å; Q283-N285 PolarHBondContact O-N 3.35Å; Q283-M286 PolarHBondContact O-N 3.44Å; Q283-I287 HydrophobicContact CG-CD1 4.17Å; Q283-I287 WeakPolarHBondContact O-CD1 3.35Å; Q283-I287 WeakPolarHBondContact O-CG1 3.5Å; Q283-I287 PolarHBondContact O-N 3.36Å; Q283-G302 PolarHBondContact NE2-O 3.38Å; Q283-G302 PolarHBondContact OE1-O 3.22Å
284	I	98.6	Very high	97.6	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-44.8	176.9	-71	168.5	0	0	0	111	S280 I281 I287 K288 N312 L313 A316	S280-I284 WeakPolarHBondContact O-CG1 3.11Å; S280-I284 PolarHBondContact O-N 3.36Å; I281-I284 PolarHBondContact O-N 3.05Å; I284-I287 PolarHBondContact O-N 2.96Å; I284-K288 WeakPolarHBondContact O-CG 3.27Å; I284-K288 PolarHBondContact O-N 2.84Å; I284-N312 HydrophobicContact CD1-CB 4.35Å; I284-L313 HydrophobicContact CG1-CD2 4.05Å; I284-A316 HydrophobicContact CB-CB 4.48Å; I284-A316 HydrophobicContact CG1-CB 4.4Å; I284-A316 HydrophobicContact CG2-CB 4.01Å
285	N	98.5	Very high	97.6	Very high	84 Å²	84	50.7 Å²	50.7	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-67.1	-40.2	177.7	-70.3	-12.6	0	0	0	111.8	I281 F282 Q283 K288 Y289	I281-N285 WeakPolarHBondContact O-CB 3.23Å; I281-N285 PolarHBondContact O-N 2.91Å; I281-N285 PolarHBondContact O-ND2 3.39Å; F282-N285 PolarHBondContact O-N 2.88Å; Q283-N285 VanDerWaalsContact C-N 3.32Å; Q283-N285 PolarHBondContact O-N 3.35Å; N285-K288 PolarHBondContact O-N 2.91Å; N285-Y289 WeakPolarHBondContact O-CB 3.49Å; N285-Y289 PolarHBondContact O-N 2.72Å
286	M	98.6	Very high	97.7	Very high	5 Å²	5	57 Å²	57	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-41.6	175.8	-175.7	59.9	75	0	0	111.8	H253 D256 K257 L273 F282 Q283 Y289 I290	H253-M286 VanDerWaalsContact O-CE 3.29Å; H253-M286 WeakPolarHBondContact O-CE 3.38Å; D256-M286 HydrophobicContact CB-CE 4.37Å; K257-M286 HydrophobicContact CG-CE 3.9Å; K257-M286 HydrophobicContact CG-SD 4.28Å; L273-M286 HydrophobicContact CD1-CB 4.36Å; L273-M286 HydrophobicContact CD1-CG 4.18Å; L273-M286 HydrophobicContact CD2-CG 3.89Å; F282-M286 WeakPolarHBondContact O-CB 3.36Å; F282-M286 PolarHBondContact O-N 2.98Å; Q283-M286 PolarHBondContact O-N 3.44Å; M286-Y289 PolarHBondContact O-N 3.49Å; M286-Y289 HydrophobicContact SD-CD1 4.14Å; M286-I290 HydrophobicContact CG-CD1 3.87Å; M286-I290 HydrophobicContact CG-CG1 4.42Å; M286-I290 VanDerWaalsContact O-CG1 3.22Å; M286-I290 WeakPolarHBondContact O-CG1 3.18Å; M286-I290 PolarHBondContact O-N 2.95Å; M286-I290 HydrophobicContact SD-CD1 4.23Å; M286-I290 HydrophobicContact SD-CG1 4.25Å
287	I	98.7	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-53.4	175.1	-66.5	157	0	0	0	109.6	L273 Q283 I284 Y289 I290 K291 V299 L313 A316 V318	L273-I287 HydrophobicContact CD1-CD1 4.21Å; L273-I287 HydrophobicContact CD1-CG1 3.39Å; Q283-I287 HydrophobicContact CG-CD1 4.17Å; Q283-I287 WeakPolarHBondContact O-CD1 3.35Å; Q283-I287 WeakPolarHBondContact O-CG1 3.5Å; Q283-I287 PolarHBondContact O-N 3.36Å; I284-I287 PolarHBondContact O-N 2.96Å; I287-Y289 VanDerWaalsContact C-N 3.32Å; I287-Y289 PolarHBondContact O-N 3.18Å; I287-I290 PolarHBondContact O-N 2.9Å; I287-I290 VanDerWaalsContact O-N 3.16Å; I287-K291 HydrophobicContact CG2-CG 4.26Å; I287-K291 WeakPolarHBondContact O-CG 3.31Å; I287-K291 PolarHBondContact O-N 3.47Å; I287-V299 HydrophobicContact CG1-CG1 4.47Å; I287-L313 HydrophobicContact CD1-CD2 3.87Å; I287-A316 HydrophobicContact CB-CB 4.3Å; I287-A316 HydrophobicContact CD1-CB 4.14Å; I287-A316 HydrophobicContact CG2-CB 4.12Å; I287-A316 WeakPolarHBondContact CG2-O 3.3Å; I287-V318 HydrophobicContact CD1-CG1 3.4Å; I287-V318 VanDerWaalsContact CD1-CG1 3.4Å; I287-V318 HydrophobicContact CG1-CG1 3.86Å; I287-V318 HydrophobicContact CG2-CG1 4Å
288	K	98.6	Very high	98.1	Very high	111 Å²	111	54.9 Å²	54.9	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-45.2	179.8	-69.7	176.3	-179.8	179.9	0	111.8	I284 N285 I290 K291 E292	I284-K288 WeakPolarHBondContact O-CG 3.27Å; I284-K288 PolarHBondContact O-N 2.84Å; N285-K288 PolarHBondContact O-N 2.91Å; K288-I290 PolarHBondContact O-N 2.86Å; K288-K291 PolarHBondContact O-N 3.09Å; K288-E292 WeakPolarHBondContact O-CB 3.36Å; K288-E292 PolarHBondContact O-N 2.98Å
289	Y	98.6	Very high	98.2	Very high	60 Å²	60	54.9 Å²	54.9	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-47.3	176	176.2	-97.9	0	0	0	112.3	K257 L260 N285 M286 I287 E292 K293	K257-Y289 HydrophobicContact CB-CE1 4.03Å; K257-Y289 HydrophobicContact CD-CD1 4.18Å; K257-Y289 HydrophobicContact CD-CD2 4.41Å; K257-Y289 HydrophobicContact CD-CE1 3.78Å; K257-Y289 HydrophobicContact CD-CE2 4.02Å; K257-Y289 HydrophobicContact CD-CG 4.48Å; K257-Y289 HydrophobicContact CG-CD1 4.05Å; K257-Y289 HydrophobicContact CG-CE1 3.62Å; L260-Y289 HydrophobicContact CD2-CD1 4.4Å; L260-Y289 HydrophobicContact CD2-CE1 4.15Å; N285-Y289 WeakPolarHBondContact O-CB 3.49Å; N285-Y289 PolarHBondContact O-N 2.72Å; M286-Y289 PolarHBondContact O-N 3.49Å; M286-Y289 HydrophobicContact SD-CD1 4.14Å; I287-Y289 VanDerWaalsContact C-N 3.32Å; I287-Y289 PolarHBondContact O-N 3.18Å; Y289-E292 PolarHBondContact O-N 3.34Å; Y289-K293 HydrophobicContact CE1-CD 3.99Å; Y289-K293 HydrophobicContact CE2-CD 4.35Å; Y289-K293 WeakPolarHBondContact O-CB 3.3Å; Y289-K293 PolarHBondContact O-N 3.18Å; Y289-K293 VanDerWaalsContact OH-CD 3.3Å; Y289-K293 WeakPolarHBondContact OH-CD 3.05Å; Y289-K293 PolarHBondContact OH-NZ 3.01Å
290	I	98.6	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-45.1	178.7	-63.5	162.4	0	0	0	110.7	I250 L260 V271 L273 M286 I287 K288 E292 K293 Y294 L297 V299	I250-I290 HydrophobicContact CD1-CD1 4.18Å; L260-I290 HydrophobicContact CD1-CG1 4.47Å; L260-I290 HydrophobicContact CD2-CD1 4.39Å; L260-I290 HydrophobicContact CD2-CG1 3.59Å; V271-I290 HydrophobicContact CG2-CD1 4.33Å; L273-I290 HydrophobicContact CD1-CD1 4.48Å; L273-I290 HydrophobicContact CD2-CD1 3.86Å; M286-I290 HydrophobicContact CG-CD1 3.87Å; M286-I290 HydrophobicContact CG-CG1 4.42Å; M286-I290 VanDerWaalsContact O-CG1 3.22Å; M286-I290 WeakPolarHBondContact O-CG1 3.18Å; M286-I290 PolarHBondContact O-N 2.95Å; M286-I290 HydrophobicContact SD-CD1 4.23Å; M286-I290 HydrophobicContact SD-CG1 4.25Å; I287-I290 PolarHBondContact O-N 2.9Å; I287-I290 VanDerWaalsContact O-N 3.16Å; K288-I290 PolarHBondContact O-N 2.86Å; I290-E292 VanDerWaalsContact C-N 3.28Å; I290-E292 PolarHBondContact O-N 3.3Å; I290-K293 PolarHBondContact O-N 2.79Å; I290-Y294 CarbonylContact O-C 3.37Å; I290-Y294 WeakPolarHBondContact O-CA 3.43Å; I290-Y294 PolarHBondContact O-N 3.36Å; I290-L297 HydrophobicContact CG2-CD2 4.07Å; I290-V299 HydrophobicContact CB-CG2 4.08Å; I290-V299 HydrophobicContact CD1-CG1 4.32Å; I290-V299 HydrophobicContact CD1-CG2 4.42Å; I290-V299 HydrophobicContact CG2-CG2 3.4Å; I290-V299 VanDerWaalsContact CG2-CG2 3.4Å
291	K	98.3	Very high	98.3	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-30.8	-178.8	-61.6	-51.5	-66.9	-178.5	0	112.5	I287 K288 P295 L297 V299 D319	I287-K291 HydrophobicContact CG2-CG 4.26Å; I287-K291 WeakPolarHBondContact O-CG 3.31Å; I287-K291 PolarHBondContact O-N 3.47Å; K288-K291 PolarHBondContact O-N 3.09Å; K291-P295 VanDerWaalsContact O-CA 3.3Å; K291-P295 WeakPolarHBondContact O-CA 3.27Å; K291-L297 PolarHBondContact NZ-O 3.08Å; K291-V299 HydrophobicContact CD-CG2 3.93Å; K291-D319 IonicContact NZ-OD1 2.7Å; K291-D319 PolarHBondContact NZ-OD1 3.38Å; K291-D319 IonicContact NZ-OD2 2.97Å; K291-D319 PolarHBondContact NZ-OD2 3.37Å
292	E	98.3	Very high	98.2	Very high	164 Å²	164	46.9 Å²	46.9	77%	0.766	22%	0.224	S	C	*	.	H	α-helix	trans	-73.6	-51.1	174.4	-174.9	179.8	172.2	0	0	111.9	K288 Y289 I290	K288-E292 WeakPolarHBondContact O-CB 3.36Å; K288-E292 PolarHBondContact O-N 2.98Å; Y289-E292 PolarHBondContact O-N 3.34Å; I290-E292 VanDerWaalsContact C-N 3.28Å; I290-E292 PolarHBondContact O-N 3.3Å
293	K	98.4	Very high	98.2	Very high	81 Å²	81	41.6 Å²	41.6	35%	0.352	20%	0.201	S	C	.	.	H	α-helix	trans	-76.3	-38.2	-174.9	-169.9	174.8	-176.6	-173.6	0	113.4	D261 Y289 I290	D261-K293 WeakPolarHBondContact OD1-CE 3.38Å; D261-K293 IonicContact OD1-NZ 2.71Å; D261-K293 PolarHBondContact OD1-NZ 2.67Å; D261-K293 IonicContact OD2-NZ 3.4Å; D261-K293 PolarHBondContact OD2-NZ 2.99Å; Y289-K293 HydrophobicContact CE1-CD 3.99Å; Y289-K293 HydrophobicContact CE2-CD 4.35Å; Y289-K293 WeakPolarHBondContact O-CB 3.3Å; Y289-K293 PolarHBondContact O-N 3.18Å; Y289-K293 VanDerWaalsContact OH-CD 3.3Å; Y289-K293 WeakPolarHBondContact OH-CD 3.05Å; Y289-K293 PolarHBondContact OH-NZ 3.01Å; I290-K293 PolarHBondContact O-N 2.79Å
294	Y	98.2	Very high	98.3	Very high	55 Å²	55	41.7 Å²	41.7	22%	0.216	20%	0.202	C	C	.	.			trans	-128.6	68.4	-176.5	-58.8	-67.3	0	0	0	110.7	L260 D261 A264 I290 N296 L297	L260-Y294 HydrophobicContact CD2-CD2 3.94Å; L260-Y294 HydrophobicContact CD2-CE2 3.85Å; L260-Y294 HydrophobicContact CG-CD2 4.21Å; L260-Y294 HydrophobicContact CG-CE2 3.95Å; D261-Y294 WeakPolarHBondContact OD1-CE2 3.49Å; D261-Y294 PolarHBondContact OD1-OH 3.36Å; A264-Y294 HydrophobicContact CB-CD1 4.2Å; A264-Y294 HydrophobicContact CB-CE1 3.8Å; A264-Y294 HydrophobicContact CB-CE2 4.29Å; I290-Y294 CarbonylContact O-C 3.37Å; I290-Y294 WeakPolarHBondContact O-CA 3.43Å; I290-Y294 PolarHBondContact O-N 3.36Å; Y294-N296 PolarHBondContact O-N 2.99Å; Y294-L297 WeakPolarHBondContact O-CB 3.39Å; Y294-L297 PolarHBondContact O-N 3.28Å
295	P	96.9	Very high	98.3	Very high	75 Å²	75	40.7 Å²	40.7	49%	0.487	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	-171.8	23.3	-35.1	0	0	0	114.3	K291	K291-P295 VanDerWaalsContact O-CA 3.3Å; K291-P295 WeakPolarHBondContact O-CA 3.27Å
296	N	96.1	Very high	98.3	Very high	134 Å²	134	38.9 Å²	38.9	72%	0.717	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-21	178.1	-66.6	-36.4	0	0	0	113.3	Y294	Y294-N296 PolarHBondContact O-N 2.99Å
297	L	98.3	Very high	98.2	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	20%	0.202	C	C	.	.	S	Bend	trans	-69.2	134.6	178.8	-176.8	61	0	0	0	109.7	L260 V268 V271 I290 K291 Y294	L260-L297 HydrophobicContact CD1-CD2 3.8Å; V268-L297 HydrophobicContact CG1-CD1 4.01Å; V271-L297 HydrophobicContact CG1-CD2 4.07Å; V271-L297 HydrophobicContact CG2-CD2 4.01Å; V271-L297 HydrophobicContact CG2-CG 4.33Å; I290-L297 HydrophobicContact CG2-CD2 4.07Å; K291-L297 PolarHBondContact NZ-O 3.08Å; Y294-L297 WeakPolarHBondContact O-CB 3.39Å; Y294-L297 PolarHBondContact O-N 3.28Å
298	Q	98.6	Very high	98.2	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136	177.9	-63	-66.1	-83.3	0	0	110.4	T56 I59 V270 V271 D319	T56-Q298 HydrophobicContact CG2-CB 4.04Å; T56-Q298 PolarHBondContact OG1-OE1 3.35Å; I59-Q298 HydrophobicContact CD1-CB 3.95Å; I59-Q298 HydrophobicContact CD1-CG 3.69Å; I59-Q298 HydrophobicContact CG1-CG 4.01Å; V270-Q298 WeakPolarHBondContact CA-O 3.28Å; V270-Q298 HydrophobicContact CB-CB 4.15Å; V270-Q298 HydrophobicContact CG2-CB 4.01Å; V271-Q298 PolarHBondContact N-O 2.95Å; Q298-D319 WeakPolarHBondContact CA-OD2 3.23Å
299	V	98.8	Very high	98.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.5	-175	-173.4	0	0	0	0	110.7	V271 L273 I287 I290 K291 D319 A320	V271-V299 HydrophobicContact CG2-CG1 4.45Å; V271-V299 HydrophobicContact CG2-CG2 4.15Å; L273-V299 HydrophobicContact CD1-CG1 4.2Å; L273-V299 HydrophobicContact CG-CG1 4.24Å; I287-V299 HydrophobicContact CG1-CG1 4.47Å; I290-V299 HydrophobicContact CB-CG2 4.08Å; I290-V299 HydrophobicContact CD1-CG1 4.32Å; I290-V299 HydrophobicContact CD1-CG2 4.42Å; I290-V299 HydrophobicContact CG2-CG2 3.4Å; I290-V299 VanDerWaalsContact CG2-CG2 3.4Å; K291-V299 HydrophobicContact CD-CG2 3.93Å; V299-D319 PolarHBondContact N-OD2 3.22Å; V299-D319 PolarHBondContact O-N 3.07Å; V299-A320 PolarHBondContact O-N 3.45Å
300	I	98.9	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.7	171.1	-60	161.7	0	0	0	108.1	L55 T56 F90 V270 V271 V272 L273 A320 R322 I362	L55-I300 HydrophobicContact CD1-CD1 4.47Å; L55-I300 HydrophobicContact CG-CD1 4.49Å; T56-I300 HydrophobicContact CG2-CD1 4.48Å; T56-I300 HydrophobicContact CG2-CG1 4.17Å; F90-I300 HydrophobicContact CE1-CD1 3.75Å; F90-I300 HydrophobicContact CE2-CD1 4.4Å; F90-I300 HydrophobicContact CZ-CD1 3.37Å; V270-I300 HydrophobicContact CG2-CD1 3.54Å; V270-I300 HydrophobicContact CG2-CG1 3.81Å; V271-I300 PolarHBondContact O-N 2.7Å; V272-I300 WeakPolarHBondContact CA-O 3.25Å; V272-I300 HydrophobicContact CB-CB 4.14Å; V272-I300 HydrophobicContact CG2-CB 4.02Å; V272-I300 HydrophobicContact CG2-CG2 3.88Å; L273-I300 PolarHBondContact N-O 3.31Å; I300-A320 WeakPolarHBondContact CA-O 3.39Å; I300-A320 HydrophobicContact CG1-CB 3.92Å; I300-R322 HydrophobicContact CG2-CB 3.91Å; I300-I362 HydrophobicContact CD1-CD1 3.7Å; I300-I362 HydrophobicContact CG1-CD1 4.32Å; I300-I362 HydrophobicContact CG2-CD1 4.07Å
301	G	98.7	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	146.2	174.6	0	0	0	0	0	112.3	A320 L321 R322	G301-A320 PolarHBondContact N-O 2.84Å; G301-L321 CarbonylContact O-C 3.58Å; G301-L321 WeakPolarHBondContact O-CA 3.46Å; G301-R322 PolarHBondContact O-N 3.39Å
302	G	96.9	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-178.9	179.2	0	0	0	0	0	115	L273 G278 Q283	L273-G302 VanDerWaalsContact O-O 3.06Å; G278-G302 WeakPolarHBondContact CA-O 3.23Å; Q283-G302 PolarHBondContact NE2-O 3.38Å; Q283-G302 PolarHBondContact OE1-O 3.22Å
303	N	98.3	Very high	98.3	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.032	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-85.5	149.1	-4.5	-73.8	28	0	0	0	111.9	S275 G278 R322 G324 D364	S275-N303 PolarHBondContact O-N 2.71Å; G278-N303 PolarHBondContact N-O 3.34Å; N303-R322 WeakPolarHBondContact CA-O 3.34Å; N303-R322 WeakPolarHBondContact OD1-CD 3.21Å; N303-R322 WeakPolarHBondContact OD1-CG 3.4Å; N303-R322 PolarHBondContact OD1-NE 2.82Å; N303-G324 WeakPolarHBondContact CB-O 3.48Å; N303-G324 PolarHBondContact ND2-O 2.86Å; N303-D364 PolarHBondContact ND2-OD2 2.81Å; N303-D364 VanDerWaalsContact ND2-OD2 3.09Å
304	V	98.6	Very high	98.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	156	174.6	-57.9	0	0	0	0	111.1	Q309 L313 L321 R322 V323 G324 V350	V304-Q309 HydrophobicContact CB-CB 3.78Å; V304-Q309 HydrophobicContact CG1-CB 3.68Å; V304-L313 HydrophobicContact CG1-CD1 3.51Å; V304-L313 HydrophobicContact CG1-CG 4.33Å; V304-L321 HydrophobicContact CG2-CD2 4.39Å; V304-R322 PolarHBondContact N-O 3.2Å; V304-V323 HydrophobicContact CG2-CG2 3.93Å; V304-V323 VanDerWaalsContact O-CA 3.29Å; V304-V323 WeakPolarHBondContact O-CA 3.43Å; V304-V323 WeakPolarHBondContact O-CG1 3.16Å; V304-G324 PolarHBondContact O-N 2.92Å; V304-V350 HydrophobicContact CG2-CG1 4.24Å
305	V	98.5	Very high	98.3	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.055	19%	0.187	C	C	.	.			trans	-134.1	1.9	176.1	-67.5	0	0	0	0	113.9	M325 R341 A346	V305-M325 HydrophobicContact CG1-CB 3.53Å; V305-R341 HydrophobicContact CB-CB 3.9Å; V305-R341 HydrophobicContact CG1-CB 4.34Å; V305-R341 HydrophobicContact CG2-CB 4.21Å; V305-R341 VanDerWaalsContact O-CD 3.26Å; V305-R341 WeakPolarHBondContact O-CD 3.42Å; V305-R341 PolarHBondContact O-NH1 2.84Å; V305-A346 HydrophobicContact CB-CB 4.12Å; V305-A346 HydrophobicContact CG1-CB 4.26Å
306	T	98.6	Very high	98.4	Very high	46 Å²	46	29 Å²	29	28%	0.282	17%	0.168	S	C	.	.	S	Bend	trans	-136.7	154.9	-179	68.2	0	0	0	0	112.2	A308 Q309 A310	T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.39Å; T306-Q309 PolarHBondContact O-N 3.4Å; T306-Q309 VanDerWaalsContact OG1-CG 3.27Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.38Å; T306-Q309 PolarHBondContact OG1-N 3.3Å; T306-Q309 PolarHBondContact OG1-OE1 2.97Å; T306-A310 PolarHBondContact O-N 3.46Å
307	A	98.3	Very high	98.5	Very high	36 Å²	36	24 Å²	24	30%	0.298	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-31.3	175.4	0	0	0	0	0	112.8	A310 K311 Y353	A307-A310 PolarHBondContact O-N 2.8Å; A307-K311 WeakPolarHBondContact O-CB 3.41Å; A307-K311 PolarHBondContact O-N 3.47Å; A307-Y353 HydrophobicContact CB-CD2 4.4Å; A307-Y353 HydrophobicContact CB-CG 4.06Å
308	A	98.5	Very high	98.5	Very high	68 Å²	68	23.2 Å²	23.2	56%	0.562	14%	0.144	S	C	*	.	H	α-helix	trans	-65.4	-44.7	177.3	0	0	0	0	0	112.1	T306 K311 N312	T306-A308 VanDerWaalsContact C-N 3.26Å; T306-A308 PolarHBondContact O-N 3.39Å; A308-K311 PolarHBondContact O-N 3.33Å; A308-N312 PolarHBondContact O-N 3.16Å
309	Q	98.7	Very high	98.5	Very high	21 Å²	21	23.6 Å²	23.6	10%	0.098	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-43.9	173.6	-66.2	166.4	-56.2	0	0	110.9	N279 V304 T306 K311 N312 L313	N279-Q309 HydrophobicContact CB-CB 3.91Å; N279-Q309 HydrophobicContact CB-CG 3.65Å; V304-Q309 HydrophobicContact CB-CB 3.78Å; V304-Q309 HydrophobicContact CG1-CB 3.68Å; T306-Q309 PolarHBondContact O-N 3.4Å; T306-Q309 VanDerWaalsContact OG1-CG 3.27Å; T306-Q309 WeakPolarHBondContact OG1-CG 3.38Å; T306-Q309 PolarHBondContact OG1-N 3.3Å; T306-Q309 PolarHBondContact OG1-OE1 2.97Å; Q309-K311 VanDerWaalsContact C-N 3.35Å; Q309-K311 PolarHBondContact O-N 2.97Å; Q309-N312 PolarHBondContact O-N 2.92Å; Q309-L313 PolarHBondContact O-N 2.98Å
310	A	98.8	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-45.7	177.6	0	0	0	0	0	111.9	T306 A307 N312 L313 I314 L321 V350 Y353	T306-A310 PolarHBondContact O-N 3.46Å; A307-A310 PolarHBondContact O-N 2.8Å; A310-N312 PolarHBondContact O-N 3.36Å; A310-L313 PolarHBondContact O-N 2.74Å; A310-I314 WeakPolarHBondContact O-CB 3.5Å; A310-I314 WeakPolarHBondContact O-CG1 3.34Å; A310-I314 PolarHBondContact O-N 2.68Å; A310-L321 HydrophobicContact CB-CD1 3.62Å; A310-V350 HydrophobicContact CB-CG1 3.85Å; A310-Y353 HydrophobicContact CB-CD1 4.31Å
311	K	98.8	Very high	98.5	Very high	88 Å²	88	23.6 Å²	23.6	38%	0.383	15%	0.146	S	C	.	.	H	α-helix	trans	-52	-52.7	175.3	177.9	179.2	-175.5	-54.7	0	111.9	A307 A308 Q309 L313 I314 D315 Y353	A307-K311 WeakPolarHBondContact O-CB 3.41Å; A307-K311 PolarHBondContact O-N 3.47Å; A308-K311 PolarHBondContact O-N 3.33Å; Q309-K311 VanDerWaalsContact C-N 3.35Å; Q309-K311 PolarHBondContact O-N 2.97Å; K311-L313 VanDerWaalsContact C-N 3.32Å; K311-L313 PolarHBondContact O-N 3.27Å; K311-I314 PolarHBondContact O-N 3.25Å; K311-D315 WeakPolarHBondContact CG-OD2 3.39Å; K311-D315 IonicContact NZ-OD2 3.31Å; K311-D315 PolarHBondContact NZ-OD2 3.37Å; K311-D315 WeakPolarHBondContact O-CB 3.41Å; K311-D315 PolarHBondContact O-N 2.94Å; K311-Y353 HydrophobicContact CB-CE1 3.7Å; K311-Y353 WeakPolarHBondContact CB-OH 3.27Å; K311-Y353 HydrophobicContact CG-CE1 4.38Å; K311-Y353 VanDerWaalsContact CG-OH 3.24Å; K311-Y353 WeakPolarHBondContact CG-OH 3.39Å
312	N	98.8	Very high	98.6	Very high	63 Å²	63	23.6 Å²	23.6	34%	0.337	15%	0.146	S	C	.	.	H	α-helix	trans	-61.7	-39.8	-176	-67.6	-9.4	0	0	0	112.6	N279 I284 A308 Q309 A310 A316	N279-N312 PolarHBondContact ND2-ND2 3.46Å; N279-N312 WeakPolarHBondContact OD1-CB 3.45Å; N279-N312 PolarHBondContact OD1-ND2 2.96Å; I284-N312 HydrophobicContact CD1-CB 4.35Å; A308-N312 PolarHBondContact O-N 3.16Å; Q309-N312 PolarHBondContact O-N 2.92Å; A310-N312 PolarHBondContact O-N 3.36Å; N312-A316 WeakPolarHBondContact O-CB 3.44Å; N312-A316 PolarHBondContact O-N 2.86Å; N312-A316 VanDerWaalsContact O-N 3.08Å
313	L	98.8	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-73.3	-37.9	177.8	-60.2	-168.5	0	0	0	112.1	I284 I287 V304 Q309 A310 K311 A316 G317 V318 L321	I284-L313 HydrophobicContact CG1-CD2 4.05Å; I287-L313 HydrophobicContact CD1-CD2 3.87Å; V304-L313 HydrophobicContact CG1-CD1 3.51Å; V304-L313 HydrophobicContact CG1-CG 4.33Å; Q309-L313 PolarHBondContact O-N 2.98Å; A310-L313 PolarHBondContact O-N 2.74Å; K311-L313 VanDerWaalsContact C-N 3.32Å; K311-L313 PolarHBondContact O-N 3.27Å; L313-A316 WeakPolarHBondContact O-CB 3.35Å; L313-A316 PolarHBondContact O-N 3.33Å; L313-G317 PolarHBondContact O-N 3.32Å; L313-V318 HydrophobicContact CB-CG1 4.1Å; L313-V318 HydrophobicContact CB-CG2 4.24Å; L313-V318 WeakPolarHBondContact O-CG1 3.2Å; L313-V318 WeakPolarHBondContact O-CG2 3.4Å; L313-V318 PolarHBondContact O-N 3.04Å; L313-L321 HydrophobicContact CB-CD2 3.89Å; L313-L321 HydrophobicContact CD1-CD2 4.15Å
314	I	98.8	Very high	98.6	Very high	14 Å²	14	23.5 Å²	23.5	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-48	173.6	-70.1	172	0	0	0	110.5	A310 K311 A316 G317 V318 L321 Y353 A354 F357 V359	A310-I314 WeakPolarHBondContact O-CB 3.5Å; A310-I314 WeakPolarHBondContact O-CG1 3.34Å; A310-I314 PolarHBondContact O-N 2.68Å; K311-I314 PolarHBondContact O-N 3.25Å; I314-A316 PolarHBondContact O-N 3.21Å; I314-G317 WeakPolarHBondContact O-CA 3.34Å; I314-G317 PolarHBondContact O-N 3.28Å; I314-V318 HydrophobicContact CG1-CG2 4.29Å; I314-L321 HydrophobicContact CD1-CD1 3.85Å; I314-L321 HydrophobicContact CG1-CD1 4Å; I314-L321 HydrophobicContact CG1-CG 4.46Å; I314-Y353 HydrophobicContact CD1-CD1 4.28Å; I314-Y353 HydrophobicContact CD1-CE1 4.22Å; I314-A354 HydrophobicContact CD1-CB 4.15Å; I314-F357 HydrophobicContact CD1-CD2 4.24Å; I314-F357 HydrophobicContact CG2-CB 4.08Å; I314-F357 HydrophobicContact CG2-CD1 4.25Å; I314-F357 HydrophobicContact CG2-CD2 4.26Å; I314-F357 HydrophobicContact CG2-CG 3.93Å; I314-V359 HydrophobicContact CD1-CB 4.25Å; I314-V359 HydrophobicContact CD1-CG1 4.39Å; I314-V359 HydrophobicContact CD1-CG2 4.19Å; I314-V359 HydrophobicContact CG1-CB 4.38Å; I314-V359 HydrophobicContact CG1-CG1 4.2Å; I314-V359 HydrophobicContact CG1-CG2 4.03Å; I314-V359 HydrophobicContact CG2-CG2 4.21Å
315	D	98.6	Very high	98.5	Very high	92 Å²	92	24 Å²	24	49%	0.492	15%	0.148	S	C	.	.	H	α-helix	trans	-62.9	-31.1	177.8	-68.2	-13.9	0	0	0	112	K311 G317	K311-D315 WeakPolarHBondContact CG-OD2 3.39Å; K311-D315 IonicContact NZ-OD2 3.31Å; K311-D315 PolarHBondContact NZ-OD2 3.37Å; K311-D315 WeakPolarHBondContact O-CB 3.41Å; K311-D315 PolarHBondContact O-N 2.94Å; D315-G317 PolarHBondContact O-N 3Å
316	A	98.6	Very high	98.1	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-71.2	-18.4	174.1	0	0	0	0	0	113.3	I284 I287 N312 L313 I314	I284-A316 HydrophobicContact CB-CB 4.48Å; I284-A316 HydrophobicContact CG1-CB 4.4Å; I284-A316 HydrophobicContact CG2-CB 4.01Å; I287-A316 HydrophobicContact CB-CB 4.3Å; I287-A316 HydrophobicContact CD1-CB 4.14Å; I287-A316 HydrophobicContact CG2-CB 4.12Å; I287-A316 WeakPolarHBondContact CG2-O 3.3Å; N312-A316 WeakPolarHBondContact O-CB 3.44Å; N312-A316 PolarHBondContact O-N 2.86Å; N312-A316 VanDerWaalsContact O-N 3.08Å; L313-A316 WeakPolarHBondContact O-CB 3.35Å; L313-A316 PolarHBondContact O-N 3.33Å; I314-A316 PolarHBondContact O-N 3.21Å
317	G	98.3	Very high	97.7	Very high	28 Å²	28	23.3 Å²	23.3	29%	0.289	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.2	24.7	173.3	0	0	0	0	0	115.9	L313 I314 D315	L313-G317 PolarHBondContact O-N 3.32Å; I314-G317 WeakPolarHBondContact O-CA 3.34Å; I314-G317 PolarHBondContact O-N 3.28Å; D315-G317 PolarHBondContact O-N 3Å
318	V	98.6	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.146	C	C	.	.			trans	-63.9	147.7	173.5	-59.3	0	0	0	0	112	I287 L313 I314 L321	I287-V318 HydrophobicContact CD1-CG1 3.4Å; I287-V318 VanDerWaalsContact CD1-CG1 3.4Å; I287-V318 HydrophobicContact CG1-CG1 3.86Å; I287-V318 HydrophobicContact CG2-CG1 4Å; L313-V318 HydrophobicContact CB-CG1 4.1Å; L313-V318 HydrophobicContact CB-CG2 4.24Å; L313-V318 WeakPolarHBondContact O-CG1 3.2Å; L313-V318 WeakPolarHBondContact O-CG2 3.4Å; L313-V318 PolarHBondContact O-N 3.04Å; I314-V318 HydrophobicContact CG1-CG2 4.29Å; V318-L321 HydrophobicContact CG2-CD2 3.91Å; V318-L321 HydrophobicContact CG2-CG 4.32Å
319	D	98.8	Very high	96.5	Very high	13 Å²	13	22.7 Å²	22.7	7%	0.07	14%	0.141	C	C	.	.	S	Bend	trans	-92.7	-13.7	176.5	-57.7	-71.8	0	0	0	112.5	T56 K57 K291 Q298 V299 P360	T56-D319 WeakPolarHBondContact CA-O 3.35Å; K57-D319 PolarHBondContact N-O 2.81Å; K291-D319 IonicContact NZ-OD1 2.7Å; K291-D319 PolarHBondContact NZ-OD1 3.38Å; K291-D319 IonicContact NZ-OD2 2.97Å; K291-D319 PolarHBondContact NZ-OD2 3.37Å; Q298-D319 WeakPolarHBondContact CA-OD2 3.23Å; V299-D319 PolarHBondContact N-OD2 3.22Å; V299-D319 PolarHBondContact O-N 3.07Å; D319-P360 WeakPolarHBondContact O-CD 3.48Å
320	A	98.9	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	164	173.3	0	0	0	0	0	111.4	L55 T56 V299 I300 G301 P360	L55-A320 WeakPolarHBondContact O-CB 3.44Å; T56-A320 HydrophobicContact CG2-CB 4.19Å; V299-A320 PolarHBondContact O-N 3.45Å; I300-A320 WeakPolarHBondContact CA-O 3.39Å; I300-A320 HydrophobicContact CG1-CB 3.92Å; G301-A320 PolarHBondContact N-O 2.84Å; A320-P360 WeakPolarHBondContact CA-O 3.45Å; A320-P360 HydrophobicContact CB-CB 4.39Å
321	L	98.9	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.5	178.6	-71.1	170.7	0	0	0	111.7	G301 V304 A310 L313 I314 V318 V323 V350 A354 V359 P360 V361 I362	G301-L321 CarbonylContact O-C 3.58Å; G301-L321 WeakPolarHBondContact O-CA 3.46Å; V304-L321 HydrophobicContact CG2-CD2 4.39Å; A310-L321 HydrophobicContact CB-CD1 3.62Å; L313-L321 HydrophobicContact CB-CD2 3.89Å; L313-L321 HydrophobicContact CD1-CD2 4.15Å; I314-L321 HydrophobicContact CD1-CD1 3.85Å; I314-L321 HydrophobicContact CG1-CD1 4Å; I314-L321 HydrophobicContact CG1-CG 4.46Å; V318-L321 HydrophobicContact CG2-CD2 3.91Å; V318-L321 HydrophobicContact CG2-CG 4.32Å; L321-V323 HydrophobicContact CB-CG2 4.43Å; L321-V350 HydrophobicContact CD1-CG1 3.99Å; L321-A354 HydrophobicContact CD1-CB 4.08Å; L321-V359 HydrophobicContact CD1-CG1 4.29Å; L321-V359 HydrophobicContact CG-CG1 4.03Å; L321-P360 PolarHBondContact N-O 2.64Å; L321-V361 HydrophobicContact CB-CG2 4.38Å; L321-V361 WeakPolarHBondContact O-CA 3.2Å; L321-I362 PolarHBondContact O-N 3.2Å
322	R	98.9	Very high	95	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	168.6	-175.3	177	174.5	-165.5	1.4	109.8	D274 I300 G301 N303 V304 D364 M385	D274-R322 IonicContact OD1-CZ 2.86Å; D274-R322 IonicContact OD1-NH1 3.65Å; D274-R322 PolarHBondContact OD1-NH1 3.25Å; D274-R322 IonicContact OD1-NH2 2.92Å; I300-R322 HydrophobicContact CG2-CB 3.91Å; G301-R322 PolarHBondContact O-N 3.39Å; N303-R322 WeakPolarHBondContact CA-O 3.34Å; N303-R322 WeakPolarHBondContact OD1-CD 3.21Å; N303-R322 WeakPolarHBondContact OD1-CG 3.4Å; N303-R322 PolarHBondContact OD1-NE 2.82Å; V304-R322 PolarHBondContact N-O 3.2Å; R322-D364 HydrophobicContact CG-CB 3.98Å; R322-D364 IonicContact CZ-OD2 3.22Å; R322-D364 IonicContact NE-OD2 2.69Å; R322-D364 PolarHBondContact NE-OD2 3.39Å; R322-D364 IonicContact NH2-OD1 3.58Å; R322-D364 IonicContact NH2-OD2 3.49Å; R322-D364 PolarHBondContact NH2-OD2 3.44Å; R322-M385 PolarHBondContact NE-SD 3.37Å; R322-M385 PolarHBondContact NH2-SD 3.47Å; R322-M385 VanDerWaalsContact NH2-SD 3.42Å
323	V	98.8	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.5	-169.3	178.5	0	0	0	0	111.2	V304 L321 Q343 A346 V347 V350 V361 I362 D364	V304-V323 HydrophobicContact CG2-CG2 3.93Å; V304-V323 VanDerWaalsContact O-CA 3.29Å; V304-V323 WeakPolarHBondContact O-CA 3.43Å; V304-V323 WeakPolarHBondContact O-CG1 3.16Å; L321-V323 HydrophobicContact CB-CG2 4.43Å; V323-Q343 PolarHBondContact O-NE2 3.27Å; V323-A346 HydrophobicContact CG1-CB 4.08Å; V323-V347 HydrophobicContact CG1-CG2 4.16Å; V323-V350 HydrophobicContact CG1-CB 4.33Å; V323-V350 HydrophobicContact CG1-CG2 4.25Å; V323-V350 HydrophobicContact CG2-CB 3.97Å; V323-V350 HydrophobicContact CG2-CG1 3.53Å; V323-V350 HydrophobicContact CG2-CG2 4.38Å; V323-V361 HydrophobicContact CB-CG1 4.06Å; V323-V361 HydrophobicContact CG2-CG1 3.53Å; V323-V361 HydrophobicContact CG2-CG2 4.47Å; V323-I362 PolarHBondContact N-O 2.75Å; V323-D364 PolarHBondContact O-N 3.43Å
324	G	97.8	Very high	94.2	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.031	15%	0.148	C	C	.	.			trans	142.1	134	173.9	0	0	0	0	0	113.6	N303 V304	N303-G324 WeakPolarHBondContact CB-O 3.48Å; N303-G324 PolarHBondContact ND2-O 2.86Å; V304-G324 PolarHBondContact O-N 2.92Å
325	M	96.6	Very high	93.8	Very high	13 Å²	13	30.2 Å²	30.2	6%	0.064	18%	0.18	C	C	.	.	S	Bend	trans	-146.1	120.6	178.9	-175.3	-179.6	177.1	0	0	109.4	S276 Q277 V305 S327 T333 Q334 C339	S276-M325 WeakPolarHBondContact O-CG 3.35Å; Q277-M325 HydrophobicContact CB-CE 4.15Å; Q277-M325 HydrophobicContact CB-SD 4.33Å; Q277-M325 HydrophobicContact CG-CE 4.37Å; Q277-M325 HydrophobicContact CG-SD 4.26Å; V305-M325 HydrophobicContact CG1-CB 3.53Å; M325-S327 VanDerWaalsContact C-N 3.26Å; M325-S327 PolarHBondContact O-N 3Å; M325-T333 HydrophobicContact CE-CG2 3.73Å; M325-T333 HydrophobicContact CG-CG2 4.43Å; M325-Q334 PolarHBondContact O-NE2 3.02Å; M325-Q334 VanDerWaalsContact O-NE2 3.08Å; M325-C339 HydrophobicContact CE-CB 4.12Å
326	G	90.2	Very high	93.4	Very high	14 Å²	14	28.7 Å²	28.7	14%	0.144	17%	0.174	C	C	.	.	S	Bend	trans	74.5	6.7	-177.9	0	0	0	0	0	115.9
327	S	89.5	Confident	93.1	Very high	26 Å²	26	32.1 Å²	32.1	18%	0.182	19%	0.191	C	C	.	.			trans	-92.8	-11.1	-179.2	56.3	0	0	0	0	114.1	M325 Q343 D364 G366	M325-S327 VanDerWaalsContact C-N 3.26Å; M325-S327 PolarHBondContact O-N 3Å; S327-Q343 VanDerWaalsContact CB-OE1 3.29Å; S327-Q343 PolarHBondContact OG-OE1 3.47Å; S327-D364 PolarHBondContact OG-O 3.12Å; S327-G366 VanDerWaalsContact O-CA 3.24Å; S327-G366 WeakPolarHBondContact O-CA 3.36Å; S327-G366 PolarHBondContact O-N 2.65Å
328	G	86.8	Confident	92.9	Very high	25 Å²	25	35.3 Å²	35.3	26%	0.258	22%	0.215	S	C	.	.	S	Bend	trans	-67.2	146.8	179.2	0	0	0	0	0	112.1	I330 C331	G328-I330 PolarHBondContact O-N 3.07Å; G328-C331 PolarHBondContact O-N 3.47Å
329	S	84.1	Confident	92.8	Very high	66 Å²	66	38.1 Å²	38.1	46%	0.462	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-8.5	-174.7	66.9	0	0	0	0	115.8	S388	S329-S388 WeakPolarHBondContact OG-CB 3.29Å
330	I	85.9	Confident	92.6	Very high	21 Å²	21	39 Å²	39	11%	0.108	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.8	10.4	-177.2	59.6	-178.6	0	0	0	111.7	M70 G328 Y411 R412 G442 V443	M70-I330 HydrophobicContact CE-CD1 3.56Å; G328-I330 PolarHBondContact O-N 3.07Å; I330-Y411 HydrophobicContact CB-CE1 4.45Å; I330-Y411 HydrophobicContact CD1-CD1 4.09Å; I330-Y411 HydrophobicContact CD1-CE1 3.57Å; I330-Y411 HydrophobicContact CD1-CE2 4.07Å; I330-Y411 HydrophobicContact CG1-CE1 4.16Å; I330-Y411 HydrophobicContact CG2-CD1 3.73Å; I330-Y411 HydrophobicContact CG2-CE1 3.53Å; I330-R412 WeakPolarHBondContact CD1-O 3.43Å; I330-G442 CarbonylContact O-C 3.52Å; I330-G442 WeakPolarHBondContact O-CA 3.44Å; I330-V443 HydrophobicContact CB-CG2 3.92Å; I330-V443 HydrophobicContact CG2-CG2 4.23Å; I330-V443 PolarHBondContact O-N 3.38Å
331	C	88.2	Confident	92.6	Very high	35 Å²	35	42.3 Å²	42.3	24%	0.236	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-99.9	127.9	-179.3	-172.8	0	0	0	0	108.6	G328 T333	G328-C331 PolarHBondContact O-N 3.47Å; C331-T333 PolarHBondContact SG-OG1 2.86Å
332	I	90.4	Very high	92.5	Very high	43 Å²	43	44.3 Å²	44.3	22%	0.221	27%	0.271	C	S	.	.			trans	-112.6	16.8	178.7	58.7	173	0	0	0	111.3	Q334 E335 V336 Q441 V443	I332-Q334 VanDerWaalsContact C-N 3.27Å; I332-Q334 PolarHBondContact O-N 2.86Å; I332-E335 PolarHBondContact O-N 3.45Å; I332-E335 VanDerWaalsContact O-N 3.09Å; I332-V336 HydrophobicContact CB-CG2 4.3Å; I332-V336 HydrophobicContact CD1-CG2 3.8Å; I332-V336 HydrophobicContact CG1-CG2 3.94Å; I332-V336 WeakPolarHBondContact O-CG2 3.44Å; I332-V336 PolarHBondContact O-N 3.5Å; I332-Q441 VanDerWaalsContact CG1-C 3.41Å; I332-Q441 PolarHBondContact N-O 3.19Å; I332-V443 HydrophobicContact CD1-CG1 4.28Å; I332-V443 HydrophobicContact CG2-CG1 4.13Å
333	T	89.3	Confident	92.5	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-38.2	-179.7	-61.9	0	0	0	0	112.9	M325 C331 E335 L337 Q441	M325-T333 HydrophobicContact CE-CG2 3.73Å; M325-T333 HydrophobicContact CG-CG2 4.43Å; C331-T333 PolarHBondContact SG-OG1 2.86Å; T333-E335 VanDerWaalsContact C-N 3.34Å; T333-L337 HydrophobicContact CG2-CB 4.27Å; T333-L337 HydrophobicContact CG2-CD1 4.19Å; T333-L337 HydrophobicContact CG2-CG 4.42Å; T333-L337 WeakPolarHBondContact O-CA 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.31Å; T333-L337 PolarHBondContact O-N 2.95Å; T333-Q441 VanDerWaalsContact CG2-OE1 3.3Å; T333-Q441 PolarHBondContact OG1-OE1 3.17Å
334	Q	92.3	Very high	92.5	Very high	80 Å²	80	44.6 Å²	44.6	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-37.8	177.9	-78.9	176.2	27.8	0	0	112.2	M325 I332 A338	M325-Q334 PolarHBondContact O-NE2 3.02Å; M325-Q334 VanDerWaalsContact O-NE2 3.08Å; I332-Q334 VanDerWaalsContact C-N 3.27Å; I332-Q334 PolarHBondContact O-N 2.86Å; Q334-A338 WeakPolarHBondContact O-CA 3.47Å; Q334-A338 PolarHBondContact O-N 2.84Å; Q334-A338 VanDerWaalsContact O-N 3.15Å
335	E	90.4	Very high	92.5	Very high	162 Å²	162	44.7 Å²	44.7	76%	0.757	27%	0.272	S	S	*	.	H	α-helix	trans	-71.5	-47	178.6	-175.6	-174.8	169.4	0	0	111.1	I332 T333	I332-E335 PolarHBondContact O-N 3.45Å; I332-E335 VanDerWaalsContact O-N 3.09Å; T333-E335 VanDerWaalsContact C-N 3.34Å
336	V	89.6	Confident	92.6	Very high	61 Å²	61	44 Å²	44	37%	0.37	27%	0.269	S	S	.	.	H	α-helix	trans	-83.7	-38	-171.4	178.4	0	0	0	0	112.6	I332 V439	I332-V336 HydrophobicContact CB-CG2 4.3Å; I332-V336 HydrophobicContact CD1-CG2 3.8Å; I332-V336 HydrophobicContact CG1-CG2 3.94Å; I332-V336 WeakPolarHBondContact O-CG2 3.44Å; I332-V336 PolarHBondContact O-N 3.5Å; V336-V439 HydrophobicContact CG1-CG1 3.48Å; V336-V439 VanDerWaalsContact CG1-CG1 3.48Å
337	L	92.2	Very high	93	Very high	81 Å²	81	43.4 Å²	43.4	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-107	-1.5	-176.8	-61.9	-166.3	0	0	0	114.2	T333 C339 Q441	T333-L337 HydrophobicContact CG2-CB 4.27Å; T333-L337 HydrophobicContact CG2-CD1 4.19Å; T333-L337 HydrophobicContact CG2-CG 4.42Å; T333-L337 WeakPolarHBondContact O-CA 3.28Å; T333-L337 WeakPolarHBondContact O-CB 3.31Å; T333-L337 PolarHBondContact O-N 2.95Å; L337-C339 HydrophobicContact CB-CB 4.39Å; L337-C339 PolarHBondContact O-N 2.8Å; L337-Q441 HydrophobicContact CD1-CG 4.29Å; L337-Q441 HydrophobicContact CG-CG 4.38Å
338	A	94.6	Very high	93.4	Very high	96 Å²	96	43 Å²	43	79%	0.793	26%	0.257	S	S	*	.	S	Bend	trans	52.6	26.3	-175.5	0	0	0	0	0	113.7	Q334	Q334-A338 WeakPolarHBondContact O-CA 3.47Å; Q334-A338 PolarHBondContact O-N 2.84Å; Q334-A338 VanDerWaalsContact O-N 3.15Å
339	C	96.2	Very high	93.9	Very high	58 Å²	58	44.4 Å²	44.4	39%	0.392	26%	0.256	S	S	.	.			trans	-129.5	127.7	-174.1	-168.5	0	0	0	0	110.9	M325 L337	M325-C339 HydrophobicContact CE-CB 4.12Å; L337-C339 HydrophobicContact CB-CB 4.39Å; L337-C339 PolarHBondContact O-N 2.8Å
340	G	96.1	Very high	94.6	Very high	32 Å²	32	41.2 Å²	41.2	33%	0.33	23%	0.234	S	C	.	.			trans	157.5	-167.6	-179	0	0	0	0	0	110.8
341	R	97.3	Very high	95.2	Very high	70 Å²	70	40.4 Å²	40.4	26%	0.264	23%	0.23	S	C	.	.			trans	-157.7	146.3	177.2	-162.4	173.5	-167	-179.1	5	111	V305 Q343 A346	V305-R341 HydrophobicContact CB-CB 3.9Å; V305-R341 HydrophobicContact CG1-CB 4.34Å; V305-R341 HydrophobicContact CG2-CB 4.21Å; V305-R341 VanDerWaalsContact O-CD 3.26Å; V305-R341 WeakPolarHBondContact O-CD 3.42Å; V305-R341 PolarHBondContact O-NH1 2.84Å; R341-Q343 PolarHBondContact O-N 2.93Å; R341-A346 HydrophobicContact CB-CB 4.23Å; R341-A346 HydrophobicContact CG-CB 4.35Å
342	P	97.9	Very high	95.7	Very high	42 Å²	42	41.1 Å²	41.1	27%	0.273	23%	0.23	S	C	.	.			trans	-52.4	125.9	168	-32	40.8	0	0	0	111.7	L30 T31 A344 T345 A346	L30-P342 WeakPolarHBondContact O-CB 3.41Å; T31-P342 HydrophobicContact CG2-CB 3.96Å; P342-A344 PolarHBondContact O-N 2.88Å; P342-T345 WeakPolarHBondContact O-CB 3.24Å; P342-T345 PolarHBondContact O-N 2.74Å; P342-A346 PolarHBondContact O-N 2.85Å
343	Q	98.1	Very high	96.1	Very high	6 Å²	6	41 Å²	41	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-42	-161.4	-174.4	67.1	13.7	0	0	113.4	Y32 V323 S327 R341 T345 A346 V347 D364	Y32-Q343 HydrophobicContact CE2-CB 4.22Å; Y32-Q343 HydrophobicContact CE2-CG 3.8Å; Y32-Q343 VanDerWaalsContact OH-CG 3.23Å; Y32-Q343 WeakPolarHBondContact OH-CG 3.43Å; V323-Q343 PolarHBondContact O-NE2 3.27Å; S327-Q343 VanDerWaalsContact CB-OE1 3.29Å; S327-Q343 PolarHBondContact OG-OE1 3.47Å; R341-Q343 PolarHBondContact O-N 2.93Å; Q343-T345 VanDerWaalsContact C-N 3.3Å; Q343-T345 PolarHBondContact O-N 3.01Å; Q343-A346 PolarHBondContact O-N 2.86Å; Q343-V347 HydrophobicContact CG-CG2 4.36Å; Q343-V347 WeakPolarHBondContact O-CG2 3.19Å; Q343-V347 PolarHBondContact O-N 2.75Å; Q343-D364 PolarHBondContact NE2-O 3.21Å
344	A	98.3	Very high	96.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-42	-179.4	0	0	0	0	0	111.1	F24 L30 Y32 F35 P342 V347 Y348 L379	F24-A344 HydrophobicContact CE1-CB 4.29Å; F24-A344 HydrophobicContact CZ-CB 4.28Å; L30-A344 WeakPolarHBondContact O-CB 3.43Å; L30-A344 PolarHBondContact O-N 3.11Å; Y32-A344 HydrophobicContact CD1-CB 3.82Å; Y32-A344 HydrophobicContact CE1-CB 4.01Å; F35-A344 HydrophobicContact CE1-CB 3.78Å; F35-A344 HydrophobicContact CZ-CB 4.45Å; P342-A344 PolarHBondContact O-N 2.88Å; A344-V347 PolarHBondContact O-N 3.16Å; A344-Y348 WeakPolarHBondContact O-CB 3.4Å; A344-Y348 PolarHBondContact O-N 3.43Å; A344-L379 HydrophobicContact CB-CD1 3.66Å
345	T	98.2	Very high	96.7	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-42	175.1	-54.8	0	0	0	0	112.1	F24 L30 P342 Q343 K349	F24-T345 HydrophobicContact CD1-CG2 4.22Å; L30-T345 PolarHBondContact N-OG1 3.31Å; L30-T345 PolarHBondContact O-N 2.91Å; L30-T345 PolarHBondContact O-OG1 3.47Å; L30-T345 VanDerWaalsContact O-OG1 3.04Å; P342-T345 WeakPolarHBondContact O-CB 3.24Å; P342-T345 PolarHBondContact O-N 2.74Å; Q343-T345 VanDerWaalsContact C-N 3.3Å; Q343-T345 PolarHBondContact O-N 3.01Å; T345-K349 HydrophobicContact CG2-CG 4.28Å; T345-K349 WeakPolarHBondContact O-CB 3.39Å; T345-K349 VanDerWaalsContact O-CG 3.3Å; T345-K349 WeakPolarHBondContact O-CG 3.22Å; T345-K349 PolarHBondContact O-N 2.83Å
346	A	98.4	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-49	177.2	0	0	0	0	0	111.5	V305 V323 R341 P342 Q343 V350	V305-A346 HydrophobicContact CB-CB 4.12Å; V305-A346 HydrophobicContact CG1-CB 4.26Å; V323-A346 HydrophobicContact CG1-CB 4.08Å; R341-A346 HydrophobicContact CB-CB 4.23Å; R341-A346 HydrophobicContact CG-CB 4.35Å; P342-A346 PolarHBondContact O-N 2.85Å; Q343-A346 PolarHBondContact O-N 2.86Å; A346-V350 WeakPolarHBondContact O-CB 3.44Å; A346-V350 VanDerWaalsContact O-CG2 3.25Å; A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 2.86Å
347	V	98.7	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-51.5	178	169.7	0	0	0	0	110.9	V323 Q343 A344 K349 V350 S351 A363 L379 A381	V323-V347 HydrophobicContact CG1-CG2 4.16Å; Q343-V347 HydrophobicContact CG-CG2 4.36Å; Q343-V347 WeakPolarHBondContact O-CG2 3.19Å; Q343-V347 PolarHBondContact O-N 2.75Å; A344-V347 PolarHBondContact O-N 3.16Å; V347-K349 PolarHBondContact O-N 3.07Å; V347-V350 PolarHBondContact O-N 2.97Å; V347-S351 WeakPolarHBondContact O-CB 3.37Å; V347-S351 PolarHBondContact O-N 2.68Å; V347-S351 PolarHBondContact O-OG 3.36Å; V347-S351 VanDerWaalsContact O-OG 3.07Å; V347-A363 HydrophobicContact CG1-CB 4.42Å; V347-A363 HydrophobicContact CG2-CB 3.6Å; V347-L379 HydrophobicContact CG1-CB 4.25Å; V347-A381 HydrophobicContact CG1-CB 3.87Å
348	Y	98.6	Very high	97.7	Very high	19 Å²	19	43 Å²	43	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-49.7	-178.9	173.7	-107.1	0	0	0	112.7	A20 Q21 F24 A344 V350 S351 E352 L379 M483	A20-Y348 HydrophobicContact CB-CD2 4.25Å; A20-Y348 HydrophobicContact CB-CE2 3.56Å; Q21-Y348 WeakPolarHBondContact CA-OH 3.49Å; Q21-Y348 PolarHBondContact N-OH 2.93Å; F24-Y348 HydrophobicContact CB-CD1 3.47Å; F24-Y348 VanDerWaalsContact CB-CD1 3.47Å; F24-Y348 HydrophobicContact CB-CE1 3.53Å; F24-Y348 HydrophobicContact CB-CG 4.43Å; F24-Y348 HydrophobicContact CD1-CD1 4.25Å; F24-Y348 AromaticContact CD2-CD1 3.6Å; F24-Y348 HydrophobicContact CD2-CD1 3.6Å; F24-Y348 HydrophobicContact CD2-CD2 4.2Å; F24-Y348 AromaticContact CD2-CE1 3.97Å; F24-Y348 HydrophobicContact CD2-CE1 3.97Å; F24-Y348 AromaticContact CD2-CG 3.72Å; F24-Y348 HydrophobicContact CD2-CG 3.72Å; F24-Y348 HydrophobicContact CE2-CD1 4.43Å; F24-Y348 HydrophobicContact CE2-CG 4.14Å; F24-Y348 AromaticContact CG-CD1 3.51Å; F24-Y348 HydrophobicContact CG-CD1 3.51Å; F24-Y348 AromaticContact CG-CE1 3.98Å; F24-Y348 HydrophobicContact CG-CE1 3.98Å; F24-Y348 HydrophobicContact CG-CG 4.01Å; A344-Y348 WeakPolarHBondContact O-CB 3.4Å; A344-Y348 PolarHBondContact O-N 3.43Å; Y348-V350 PolarHBondContact O-N 3.41Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.03Å; Y348-E352 WeakPolarHBondContact O-CB 3.18Å; Y348-E352 PolarHBondContact O-N 2.85Å; Y348-L379 HydrophobicContact CD2-CD2 4.44Å; Y348-M483 HydrophobicContact CD2-SD 4.28Å; Y348-M483 HydrophobicContact CE2-SD 3.81Å
349	K	98.3	Very high	97.9	Very high	53 Å²	53	38.7 Å²	38.7	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-69.4	-34.6	-176.7	-65.2	-70.4	-177.4	178.9	0	112.3	F24 N25 T345 V347	F24-K349 WeakPolarHBondContact O-CE 3.26Å; F24-K349 PolarHBondContact O-NZ 3.08Å; F24-K349 VanDerWaalsContact O-NZ 3.1Å; N25-K349 PolarHBondContact OD1-NZ 3.43Å; T345-K349 HydrophobicContact CG2-CG 4.28Å; T345-K349 WeakPolarHBondContact O-CB 3.39Å; T345-K349 VanDerWaalsContact O-CG 3.3Å; T345-K349 WeakPolarHBondContact O-CG 3.22Å; T345-K349 PolarHBondContact O-N 2.83Å; V347-K349 PolarHBondContact O-N 3.07Å
350	V	98.7	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-75.2	-40.7	177	175.5	0	0	0	0	111	V304 A310 L321 V323 A346 V347 Y348 Y353 A354 V361	V304-V350 HydrophobicContact CG2-CG1 4.24Å; A310-V350 HydrophobicContact CB-CG1 3.85Å; L321-V350 HydrophobicContact CD1-CG1 3.99Å; V323-V350 HydrophobicContact CG1-CB 4.33Å; V323-V350 HydrophobicContact CG1-CG2 4.25Å; V323-V350 HydrophobicContact CG2-CB 3.97Å; V323-V350 HydrophobicContact CG2-CG1 3.53Å; V323-V350 HydrophobicContact CG2-CG2 4.38Å; A346-V350 WeakPolarHBondContact O-CB 3.44Å; A346-V350 VanDerWaalsContact O-CG2 3.25Å; A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 2.86Å; V347-V350 PolarHBondContact O-N 2.97Å; Y348-V350 PolarHBondContact O-N 3.41Å; V350-Y353 PolarHBondContact O-N 2.78Å; V350-A354 VanDerWaalsContact O-CB 3.23Å; V350-A354 WeakPolarHBondContact O-CB 3.42Å; V350-A354 PolarHBondContact O-N 2.71Å; V350-V361 HydrophobicContact CG1-CG2 4.09Å
351	S	98.4	Very high	98.2	Very high	3 Å²	3	35 Å²	35	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-40.4	178.6	71.9	0	0	0	0	112.4	V347 Y348 Y353 A354 R355 L379 G380	V347-S351 WeakPolarHBondContact O-CB 3.37Å; V347-S351 PolarHBondContact O-N 2.68Å; V347-S351 PolarHBondContact O-OG 3.36Å; V347-S351 VanDerWaalsContact O-OG 3.07Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.03Å; S351-Y353 VanDerWaalsContact C-N 3.26Å; S351-Y353 PolarHBondContact O-N 2.72Å; S351-A354 PolarHBondContact O-N 3.34Å; S351-R355 WeakPolarHBondContact O-CB 3.35Å; S351-R355 PolarHBondContact O-N 3.25Å; S351-L379 PolarHBondContact OG-O 3.25Å; S351-G380 VanDerWaalsContact CB-O 3.31Å; S351-G380 WeakPolarHBondContact CB-O 3.43Å
352	E	97.6	Very high	98.3	Very high	50 Å²	50	31.6 Å²	31.6	23%	0.234	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-38.4	175.8	-170.3	-72.5	139.9	0	0	112.1	Y348 R355 R356	Y348-E352 WeakPolarHBondContact O-CB 3.18Å; Y348-E352 PolarHBondContact O-N 2.85Å; E352-R355 VanDerWaalsContact O-CG 3.32Å; E352-R355 WeakPolarHBondContact O-CG 3.39Å; E352-R355 IonicContact OE1-NH1 3.34Å; E352-R355 PolarHBondContact OE1-NH1 3.16Å; E352-R356 IonicContact OE1-CZ 2.67Å; E352-R356 IonicContact OE1-NE 3.22Å; E352-R356 PolarHBondContact OE1-NE 3.31Å; E352-R356 IonicContact OE1-NH2 3.68Å; E352-R356 PolarHBondContact OE1-NH2 2.86Å; E352-R356 IonicContact OE2-NH2 2.67Å
353	Y	98.5	Very high	98.3	Very high	42 Å²	42	29.6 Å²	29.6	17%	0.165	14%	0.138	C	C	.	.	H	α-helix	trans	-77	-49.8	176.2	-176	-97.8	0	0	0	111.7	A307 A310 K311 I314 V350 S351 R355 R356 F357	A307-Y353 HydrophobicContact CB-CD2 4.4Å; A307-Y353 HydrophobicContact CB-CG 4.06Å; A310-Y353 HydrophobicContact CB-CD1 4.31Å; K311-Y353 HydrophobicContact CB-CE1 3.7Å; K311-Y353 WeakPolarHBondContact CB-OH 3.27Å; K311-Y353 HydrophobicContact CG-CE1 4.38Å; K311-Y353 VanDerWaalsContact CG-OH 3.24Å; K311-Y353 WeakPolarHBondContact CG-OH 3.39Å; I314-Y353 HydrophobicContact CD1-CD1 4.28Å; I314-Y353 HydrophobicContact CD1-CE1 4.22Å; V350-Y353 PolarHBondContact O-N 2.78Å; S351-Y353 VanDerWaalsContact C-N 3.26Å; S351-Y353 PolarHBondContact O-N 2.72Å; Y353-R355 VanDerWaalsContact C-N 3.29Å; Y353-R355 PolarHBondContact O-N 3.47Å; Y353-R356 WeakPolarHBondContact O-CB 3.45Å; Y353-R356 WeakPolarHBondContact O-CG 3.06Å; Y353-R356 PolarHBondContact O-N 2.97Å; Y353-R356 VanDerWaalsContact O-N 3.17Å; Y353-F357 HydrophobicContact CD1-CE2 4.34Å; Y353-F357 HydrophobicContact CE1-CD2 4.32Å; Y353-F357 AromaticContact CE1-CE2 3.69Å; Y353-F357 HydrophobicContact CE1-CE2 3.69Å; Y353-F357 HydrophobicContact CE2-CE2 4.21Å; Y353-F357 AromaticContact CZ-CE2 3.62Å
354	A	98.5	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-33	-173.8	0	0	0	0	0	113.2	I314 L321 V350 S351 R356 F357 G358 V359 V361	I314-A354 HydrophobicContact CD1-CB 4.15Å; L321-A354 HydrophobicContact CD1-CB 4.08Å; V350-A354 VanDerWaalsContact O-CB 3.23Å; V350-A354 WeakPolarHBondContact O-CB 3.42Å; V350-A354 PolarHBondContact O-N 2.71Å; S351-A354 PolarHBondContact O-N 3.34Å; A354-R356 PolarHBondContact O-N 3.31Å; A354-R356 VanDerWaalsContact O-N 3.17Å; A354-F357 PolarHBondContact O-N 2.99Å; A354-G358 PolarHBondContact O-N 2.95Å; A354-V359 HydrophobicContact CB-CB 4.3Å; A354-V359 WeakPolarHBondContact CB-O 3.21Å; A354-V359 PolarHBondContact O-N 2.93Å; A354-V361 HydrophobicContact CB-CG2 3.81Å
355	R	97	Very high	97.9	Very high	117 Å²	117	30.8 Å²	30.8	44%	0.442	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-59.3	-28.4	178	74.9	179.3	-134.7	-107.3	9.8	113.3	S351 E352 Y353 F357 G358	S351-R355 WeakPolarHBondContact O-CB 3.35Å; S351-R355 PolarHBondContact O-N 3.25Å; E352-R355 VanDerWaalsContact O-CG 3.32Å; E352-R355 WeakPolarHBondContact O-CG 3.39Å; E352-R355 IonicContact OE1-NH1 3.34Å; E352-R355 PolarHBondContact OE1-NH1 3.16Å; Y353-R355 VanDerWaalsContact C-N 3.29Å; Y353-R355 PolarHBondContact O-N 3.47Å; R355-F357 PolarHBondContact O-N 3.11Å; R355-F357 VanDerWaalsContact O-N 3.1Å; R355-G358 PolarHBondContact O-N 3.18Å
356	R	97.5	Very high	97.6	Very high	165 Å²	165	31.7 Å²	31.7	62%	0.623	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-62.7	-18.4	178.9	-58.5	177.6	-176.5	-144.9	0.3	112.5	E352 Y353 A354	E352-R356 IonicContact OE1-CZ 2.67Å; E352-R356 IonicContact OE1-NE 3.22Å; E352-R356 PolarHBondContact OE1-NE 3.31Å; E352-R356 IonicContact OE1-NH2 3.68Å; E352-R356 PolarHBondContact OE1-NH2 2.86Å; E352-R356 IonicContact OE2-NH2 2.67Å; Y353-R356 WeakPolarHBondContact O-CB 3.45Å; Y353-R356 WeakPolarHBondContact O-CG 3.06Å; Y353-R356 PolarHBondContact O-N 2.97Å; Y353-R356 VanDerWaalsContact O-N 3.17Å; A354-R356 PolarHBondContact O-N 3.31Å; A354-R356 VanDerWaalsContact O-N 3.17Å
357	F	98.3	Very high	97.5	Very high	93 Å²	93	32 Å²	32	41%	0.408	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-115.6	6.7	-179.7	-55.9	-85.8	0	0	0	112.6	I314 Y353 A354 R355 V359	I314-F357 HydrophobicContact CD1-CD2 4.24Å; I314-F357 HydrophobicContact CG2-CB 4.08Å; I314-F357 HydrophobicContact CG2-CD1 4.25Å; I314-F357 HydrophobicContact CG2-CD2 4.26Å; I314-F357 HydrophobicContact CG2-CG 3.93Å; Y353-F357 HydrophobicContact CD1-CE2 4.34Å; Y353-F357 HydrophobicContact CE1-CD2 4.32Å; Y353-F357 AromaticContact CE1-CE2 3.69Å; Y353-F357 HydrophobicContact CE1-CE2 3.69Å; Y353-F357 HydrophobicContact CE2-CE2 4.21Å; Y353-F357 AromaticContact CZ-CE2 3.62Å; A354-F357 PolarHBondContact O-N 2.99Å; R355-F357 PolarHBondContact O-N 3.11Å; R355-F357 VanDerWaalsContact O-N 3.1Å; F357-V359 HydrophobicContact CB-CG2 3.89Å; F357-V359 PolarHBondContact O-N 2.92Å
358	G	97.7	Very high	97.2	Very high	52 Å²	52	37.7 Å²	37.7	54%	0.536	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	30.7	-174.7	0	0	0	0	0	113.4	A354 R355 P360	A354-G358 PolarHBondContact O-N 2.95Å; R355-G358 PolarHBondContact O-N 3.18Å; G358-P360 WeakPolarHBondContact O-CD 3.26Å
359	V	98.8	Very high	97	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	20%	0.198	C	C	.	.			trans	-95.7	115.1	-179.3	176.7	0	0	0	0	109.1	K57 I314 L321 A354 F357	K57-V359 VanDerWaalsContact CE-CG2 3.44Å; I314-V359 HydrophobicContact CD1-CB 4.25Å; I314-V359 HydrophobicContact CD1-CG1 4.39Å; I314-V359 HydrophobicContact CD1-CG2 4.19Å; I314-V359 HydrophobicContact CG1-CB 4.38Å; I314-V359 HydrophobicContact CG1-CG1 4.2Å; I314-V359 HydrophobicContact CG1-CG2 4.03Å; I314-V359 HydrophobicContact CG2-CG2 4.21Å; L321-V359 HydrophobicContact CD1-CG1 4.29Å; L321-V359 HydrophobicContact CG-CG1 4.03Å; A354-V359 HydrophobicContact CB-CB 4.3Å; A354-V359 WeakPolarHBondContact CB-O 3.21Å; A354-V359 PolarHBondContact O-N 2.93Å; F357-V359 HydrophobicContact CB-CG2 3.89Å; F357-V359 PolarHBondContact O-N 2.92Å
360	P	98.8	Very high	97	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.058	19%	0.193	C	C	.	.			trans	-63.8	150.6	176.8	-26	38.4	0	0	0	113.2	A54 D319 A320 L321 G358 S382	A54-P360 HydrophobicContact CB-CB 4.4Å; A54-P360 HydrophobicContact CB-CG 3.83Å; D319-P360 WeakPolarHBondContact O-CD 3.48Å; A320-P360 WeakPolarHBondContact CA-O 3.45Å; A320-P360 HydrophobicContact CB-CB 4.39Å; L321-P360 PolarHBondContact N-O 2.64Å; G358-P360 WeakPolarHBondContact O-CD 3.26Å; P360-S382 WeakPolarHBondContact CA-OG 3.48Å; P360-S382 WeakPolarHBondContact CB-OG 3.41Å
361	V	98.8	Very high	96.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.2	178.1	166.1	0	0	0	0	110.4	L321 V323 V350 A354 S382 T383	L321-V361 HydrophobicContact CB-CG2 4.38Å; L321-V361 WeakPolarHBondContact O-CA 3.2Å; V323-V361 HydrophobicContact CB-CG1 4.06Å; V323-V361 HydrophobicContact CG2-CG1 3.53Å; V323-V361 HydrophobicContact CG2-CG2 4.47Å; V350-V361 HydrophobicContact CG1-CG2 4.09Å; A354-V361 HydrophobicContact CB-CG2 3.81Å; V361-S382 PolarHBondContact N-OG 3.15Å; V361-S382 PolarHBondContact O-N 2.87Å; V361-T383 PolarHBondContact O-N 2.7Å
362	I	98.9	Very high	96.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.7	173.1	-47.9	-176.7	0	0	0	108.2	L55 I300 L321 V323 D364 T383 M385	L55-I362 HydrophobicContact CD1-CD1 3.64Å; L55-I362 HydrophobicContact CD1-CG1 4.4Å; I300-I362 HydrophobicContact CD1-CD1 3.7Å; I300-I362 HydrophobicContact CG1-CD1 4.32Å; I300-I362 HydrophobicContact CG2-CD1 4.07Å; L321-I362 PolarHBondContact O-N 3.2Å; V323-I362 PolarHBondContact N-O 2.75Å; I362-D364 PolarHBondContact O-N 3.26Å; I362-T383 WeakPolarHBondContact CA-O 3.46Å; I362-T383 WeakPolarHBondContact CG1-OG1 3.25Å; I362-M385 HydrophobicContact CG2-CB 3.73Å
363	A	98.8	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.4	174.3	0	0	0	0	0	110.3	V347 A376 A381 T383 V384 M385	V347-A363 HydrophobicContact CG1-CB 4.42Å; V347-A363 HydrophobicContact CG2-CB 3.6Å; A363-A376 HydrophobicContact CB-CB 3.97Å; A363-A381 HydrophobicContact CB-CB 3.83Å; A363-T383 PolarHBondContact N-O 3.1Å; A363-V384 HydrophobicContact CB-CG1 4.3Å; A363-V384 WeakPolarHBondContact O-CA 3.44Å; A363-M385 PolarHBondContact O-N 2.73Å
364	D	97.9	Very high	97	Very high	18 Å²	18	35.9 Å²	35.9	10%	0.096	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.5	-175.4	178.9	29.1	0	0	0	111.8	N303 R322 V323 S327 Q343 I362 M385	N303-D364 PolarHBondContact ND2-OD2 2.81Å; N303-D364 VanDerWaalsContact ND2-OD2 3.09Å; R322-D364 HydrophobicContact CG-CB 3.98Å; R322-D364 IonicContact CZ-OD2 3.22Å; R322-D364 IonicContact NE-OD2 2.69Å; R322-D364 PolarHBondContact NE-OD2 3.39Å; R322-D364 IonicContact NH2-OD1 3.58Å; R322-D364 IonicContact NH2-OD2 3.49Å; R322-D364 PolarHBondContact NH2-OD2 3.44Å; V323-D364 PolarHBondContact O-N 3.43Å; S327-D364 PolarHBondContact OG-O 3.12Å; Q343-D364 PolarHBondContact NE2-O 3.21Å; I362-D364 PolarHBondContact O-N 3.26Å; D364-M385 HydrophobicContact CB-CB 4.03Å; D364-M385 HydrophobicContact CB-SD 4.45Å
365	G	90	Very high	97	Very high	12 Å²	12	36.8 Å²	36.8	12%	0.124	20%	0.197	C	C	.	.	S	Bend	trans	94.9	158.1	179.8	0	0	0	0	0	114.9	I367	G365-I367 VanDerWaalsContact C-N 3.26Å; G365-I367 PolarHBondContact O-N 3.06Å
366	G	91.9	Very high	97.1	Very high	24 Å²	24	31.2 Å²	31.2	25%	0.247	18%	0.176	C	C	.	.			trans	75.8	1	178.9	0	0	0	0	0	116.2	S327 H372	S327-G366 VanDerWaalsContact O-CA 3.24Å; S327-G366 WeakPolarHBondContact O-CA 3.36Å; S327-G366 PolarHBondContact O-N 2.65Å; G366-H372 PolarHBondContact O-ND1 3.26Å
367	I	95.6	Very high	97.2	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.041	15%	0.147	C	C	.	.			trans	-91.4	120	-176.3	-59.4	176.9	0	0	0	110.1	Y32 G365 H372 I373 V384 M386 L389	Y32-I367 HydrophobicContact CE2-CG1 4.07Å; G365-I367 VanDerWaalsContact C-N 3.26Å; G365-I367 PolarHBondContact O-N 3.06Å; I367-H372 HydrophobicContact CB-CB 4.44Å; I367-H372 HydrophobicContact CG1-CB 4.48Å; I367-H372 HydrophobicContact CG2-CB 4.16Å; I367-I373 HydrophobicContact CG2-CD1 4.25Å; I367-I373 HydrophobicContact CG2-CG1 3.47Å; I367-I373 VanDerWaalsContact CG2-CG1 3.47Å; I367-V384 HydrophobicContact CD1-CB 3.51Å; I367-V384 HydrophobicContact CD1-CG1 3.68Å; I367-V384 HydrophobicContact CD1-CG2 4.39Å; I367-M386 HydrophobicContact CG2-CG 4.39Å; I367-L389 HydrophobicContact CG2-CD2 4.47Å
368	Q	92.6	Very high	97.2	Very high	119 Å²	119	19 Å²	19	56%	0.556	13%	0.128	S	C	*	.			trans	-122.2	-18.2	-176.5	-64.8	178.3	-22.5	0	0	113.4	H372 L389	Q368-H372 PolarHBondContact N-ND1 3.44Å; Q368-L389 WeakPolarHBondContact O-CD1 3.41Å
369	N	95.1	Very high	97.2	Very high	63 Å²	63	16.6 Å²	16.6	34%	0.337	10%	0.102	S	C	.	.	S	Bend	trans	-157.4	171.1	-173.9	58.1	62.3	0	0	0	110.1	G371 H372 I373	N369-G371 VanDerWaalsContact C-N 3.26Å; N369-G371 PolarHBondContact O-N 3.35Å; N369-G371 WeakPolarHBondContact OD1-CA 3.27Å; N369-G371 PolarHBondContact OD1-N 3.24Å; N369-H372 PolarHBondContact ND2-CD2 2.86Å; N369-H372 PolarHBondContact ND2-NE2 3.41Å; N369-H372 VanDerWaalsContact ND2-NE2 3.18Å; N369-H372 PolarHBondContact O-N 3.35Å; N369-H372 VanDerWaalsContact O-N 3.16Å; N369-H372 PolarHBondContact OD1-CD2 3.44Å; N369-H372 VanDerWaalsContact OD1-CD2 3.25Å; N369-H372 PolarHBondContact OD1-N 3.47Å; N369-I373 PolarHBondContact O-N 3.08Å
370	V	96.9	Very high	97.2	Very high	19 Å²	19	16.5 Å²	16.5	12%	0.115	10%	0.102	C	C	.	.	H	α-helix	trans	-55	-39.8	177.8	175.6	0	0	0	0	112.1	H372 I373 A374 Y459 L460 I464	V370-H372 VanDerWaalsContact C-N 3.32Å; V370-H372 PolarHBondContact O-N 3.28Å; V370-I373 WeakPolarHBondContact O-CA 3.38Å; V370-I373 WeakPolarHBondContact O-CB 3.49Å; V370-I373 PolarHBondContact O-N 2.86Å; V370-I373 VanDerWaalsContact O-N 3.08Å; V370-A374 PolarHBondContact O-N 3.24Å; V370-Y459 HydrophobicContact CG2-CE1 3.92Å; V370-L460 HydrophobicContact CG2-CD2 3.57Å; V370-I464 HydrophobicContact CG1-CG1 4.34Å
371	G	98	Very high	97.2	Very high	32 Å²	32	16 Å²	16	33%	0.33	10%	0.1	S	C	.	.	H	α-helix	trans	-61.5	-37.5	179.2	0	0	0	0	0	113.1	N369 I373 A374 K375	N369-G371 VanDerWaalsContact C-N 3.26Å; N369-G371 PolarHBondContact O-N 3.35Å; N369-G371 WeakPolarHBondContact OD1-CA 3.27Å; N369-G371 PolarHBondContact OD1-N 3.24Å; G371-I373 VanDerWaalsContact C-N 3.33Å; G371-A374 PolarHBondContact O-N 3.31Å; G371-K375 WeakPolarHBondContact O-CB 3.31Å; G371-K375 VanDerWaalsContact O-CG 3.26Å; G371-K375 WeakPolarHBondContact O-CG 3.12Å; G371-K375 PolarHBondContact O-N 3.35Å
372	H	98.6	Very high	97.2	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.032	11%	0.105	C	C	.	.	H	α-helix	trans	-67.5	-36.7	174.7	-65	-171.6	0	0	0	111.4	Y32 N33 G366 I367 Q368 N369 V370 A376	Y32-H372 HydrophobicContact CD2-CB 3.97Å; Y32-H372 HydrophobicContact CG-CB 4.22Å; N33-H372 PolarHBondContact OD1-NE2 2.88Å; G366-H372 PolarHBondContact O-ND1 3.26Å; I367-H372 HydrophobicContact CB-CB 4.44Å; I367-H372 HydrophobicContact CG1-CB 4.48Å; I367-H372 HydrophobicContact CG2-CB 4.16Å; Q368-H372 PolarHBondContact N-ND1 3.44Å; N369-H372 PolarHBondContact ND2-CD2 2.86Å; N369-H372 PolarHBondContact ND2-NE2 3.41Å; N369-H372 VanDerWaalsContact ND2-NE2 3.18Å; N369-H372 PolarHBondContact O-N 3.35Å; N369-H372 VanDerWaalsContact O-N 3.16Å; N369-H372 PolarHBondContact OD1-CD2 3.44Å; N369-H372 VanDerWaalsContact OD1-CD2 3.25Å; N369-H372 PolarHBondContact OD1-N 3.47Å; V370-H372 VanDerWaalsContact C-N 3.32Å; V370-H372 PolarHBondContact O-N 3.28Å; H372-A376 WeakPolarHBondContact O-CB 3.41Å; H372-A376 PolarHBondContact O-N 3.17Å
373	I	98.6	Very high	97.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.4	-52.3	175	-59.9	173.2	0	0	0	109.6	L65 I367 N369 V370 G371 K375 A376 L377 V384 M386 L389 L460 I464	L65-I373 HydrophobicContact CD2-CD1 4.19Å; L65-I373 HydrophobicContact CD2-CG2 4.39Å; I367-I373 HydrophobicContact CG2-CD1 4.25Å; I367-I373 HydrophobicContact CG2-CG1 3.47Å; I367-I373 VanDerWaalsContact CG2-CG1 3.47Å; N369-I373 PolarHBondContact O-N 3.08Å; V370-I373 WeakPolarHBondContact O-CA 3.38Å; V370-I373 WeakPolarHBondContact O-CB 3.49Å; V370-I373 PolarHBondContact O-N 2.86Å; V370-I373 VanDerWaalsContact O-N 3.08Å; G371-I373 VanDerWaalsContact C-N 3.33Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 2.93Å; I373-A376 PolarHBondContact O-N 2.89Å; I373-L377 HydrophobicContact CG2-CD1 3.72Å; I373-L377 HydrophobicContact CG2-CG 4.29Å; I373-L377 VanDerWaalsContact O-CG 3.29Å; I373-L377 WeakPolarHBondContact O-CG 3.24Å; I373-L377 PolarHBondContact O-N 3.45Å; I373-V384 HydrophobicContact CB-CG2 4.39Å; I373-V384 HydrophobicContact CD1-CG2 4.5Å; I373-V384 HydrophobicContact CG1-CG2 4.13Å; I373-V384 HydrophobicContact CG2-CB 4.49Å; I373-V384 HydrophobicContact CG2-CG1 4.1Å; I373-V384 HydrophobicContact CG2-CG2 3.61Å; I373-M386 HydrophobicContact CD1-SD 3.73Å; I373-M386 HydrophobicContact CG1-SD 4.44Å; I373-L389 HydrophobicContact CD1-CD2 4.16Å; I373-L460 HydrophobicContact CD1-CD1 4.43Å; I373-L460 HydrophobicContact CD1-CD2 4.34Å; I373-I464 HydrophobicContact CG2-CD1 3.6Å; I373-I464 HydrophobicContact CG2-CG1 3.91Å
374	A	98.6	Very high	97.2	Very high	7 Å²	7	16.8 Å²	16.8	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-56.8	-45.1	178.9	0	0	0	0	0	111.9	V370 G371 L377 A378 S467	V370-A374 PolarHBondContact O-N 3.24Å; G371-A374 PolarHBondContact O-N 3.31Å; A374-L377 PolarHBondContact O-N 2.86Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.44Å; A374-A378 PolarHBondContact O-N 3.36Å; A374-S467 VanDerWaalsContact CB-OG 3.22Å; A374-S467 WeakPolarHBondContact CB-OG 3.43Å
375	K	98.8	Very high	97.2	Very high	20 Å²	20	16 Å²	16	9%	0.087	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-45.7	175.8	-72.3	177.7	-166.4	-175.4	0	112.7	Y32 F35 I37 G371 I373 L377 A378 L379	Y32-K375 HydrophobicContact CD1-CB 4.12Å; Y32-K375 WeakPolarHBondContact O-CD 3.39Å; Y32-K375 WeakPolarHBondContact O-CE 3.49Å; Y32-K375 PolarHBondContact O-NZ 3.36Å; F35-K375 HydrophobicContact CE2-CB 4.31Å; F35-K375 HydrophobicContact CE2-CD 4.11Å; F35-K375 HydrophobicContact CE2-CG 4.06Å; F35-K375 HydrophobicContact CZ-CB 3.96Å; F35-K375 HydrophobicContact CZ-CD 4.03Å; F35-K375 HydrophobicContact CZ-CG 4.12Å; F35-K375 WeakPolarHBondContact O-CE 3.28Å; F35-K375 PolarHBondContact O-NZ 3.04Å; I37-K375 HydrophobicContact CD1-CG 4.12Å; I37-K375 HydrophobicContact CG1-CG 4.4Å; G371-K375 WeakPolarHBondContact O-CB 3.31Å; G371-K375 VanDerWaalsContact O-CG 3.26Å; G371-K375 WeakPolarHBondContact O-CG 3.12Å; G371-K375 PolarHBondContact O-N 3.35Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 2.93Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 2.92Å; K375-A378 PolarHBondContact O-N 3.06Å; K375-L379 WeakPolarHBondContact O-CB 3.45Å; K375-L379 VanDerWaalsContact O-CG 3.24Å; K375-L379 WeakPolarHBondContact O-CG 3.37Å; K375-L379 PolarHBondContact O-N 3.25Å
376	A	98.8	Very high	97.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-44.6	177.9	0	0	0	0	0	111.9	Y32 A363 H372 I373 L379 A381 V384	Y32-A376 HydrophobicContact CE1-CB 3.77Å; A363-A376 HydrophobicContact CB-CB 3.97Å; H372-A376 WeakPolarHBondContact O-CB 3.41Å; H372-A376 PolarHBondContact O-N 3.17Å; I373-A376 PolarHBondContact O-N 2.89Å; A376-L379 PolarHBondContact O-N 3.03Å; A376-A381 WeakPolarHBondContact O-CB 3.45Å; A376-A381 PolarHBondContact O-N 3.36Å; A376-V384 HydrophobicContact CB-CG1 3.82Å
377	L	98.8	Very high	97.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-41.2	178.4	-63.9	171.4	0	0	0	112	P64 I373 A374 K375 L379 G380 V384 I464 L476	P64-L377 HydrophobicContact CB-CD1 4.1Å; P64-L377 HydrophobicContact CB-CD2 3.77Å; P64-L377 HydrophobicContact CG-CD1 3.64Å; P64-L377 HydrophobicContact CG-CD2 4.27Å; I373-L377 HydrophobicContact CG2-CD1 3.72Å; I373-L377 HydrophobicContact CG2-CG 4.29Å; I373-L377 VanDerWaalsContact O-CG 3.29Å; I373-L377 WeakPolarHBondContact O-CG 3.24Å; I373-L377 PolarHBondContact O-N 3.45Å; A374-L377 PolarHBondContact O-N 2.86Å; K375-L377 VanDerWaalsContact C-N 3.33Å; K375-L377 PolarHBondContact O-N 2.92Å; L377-L379 VanDerWaalsContact C-N 3.26Å; L377-L379 PolarHBondContact O-N 3.21Å; L377-G380 PolarHBondContact O-N 3.23Å; L377-G380 VanDerWaalsContact O-N 3.13Å; L377-V384 HydrophobicContact CD2-CG1 4.23Å; L377-V384 HydrophobicContact CG-CG1 4.3Å; L377-I464 HydrophobicContact CD1-CG2 4.14Å; L377-L476 HydrophobicContact CB-CD2 4.11Å; L377-L476 HydrophobicContact CD1-CD1 4.1Å; L377-L476 HydrophobicContact CD1-CD2 3.91Å
378	A	98.6	Very high	97.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-31.3	175.9	0	0	0	0	0	112.8	I37 A374 K375 G380 V479 M483 L488	I37-A378 HydrophobicContact CD1-CB 3.53Å; A374-A378 VanDerWaalsContact O-CB 3.31Å; A374-A378 WeakPolarHBondContact O-CB 3.44Å; A374-A378 PolarHBondContact O-N 3.36Å; K375-A378 PolarHBondContact O-N 3.06Å; A378-G380 PolarHBondContact O-N 3.21Å; A378-V479 HydrophobicContact CB-CG1 3.77Å; A378-M483 WeakPolarHBondContact O-CG 3.43Å; A378-L488 HydrophobicContact CB-CD2 4.34Å
379	L	98.6	Very high	97.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	10.8	175.1	-66.8	-178.3	0	0	0	114.4	F24 F35 A344 V347 Y348 S351 K375 A376 L377 F490	F24-L379 HydrophobicContact CD2-CD2 4.45Å; F24-L379 HydrophobicContact CE2-CD1 4.2Å; F24-L379 HydrophobicContact CE2-CD2 3.39Å; F24-L379 HydrophobicContact CE2-CG 4.44Å; F24-L379 HydrophobicContact CZ-CD1 3.71Å; F24-L379 HydrophobicContact CZ-CD2 3.81Å; F24-L379 HydrophobicContact CZ-CG 4.43Å; F35-L379 HydrophobicContact CE1-CD1 4.1Å; F35-L379 HydrophobicContact CE2-CD1 4.49Å; F35-L379 HydrophobicContact CE2-CD2 4.48Å; F35-L379 HydrophobicContact CZ-CD1 3.58Å; F35-L379 HydrophobicContact CZ-CD2 4.31Å; F35-L379 HydrophobicContact CZ-CG 4.09Å; A344-L379 HydrophobicContact CB-CD1 3.66Å; V347-L379 HydrophobicContact CG1-CB 4.25Å; Y348-L379 HydrophobicContact CD2-CD2 4.44Å; S351-L379 PolarHBondContact OG-O 3.25Å; K375-L379 WeakPolarHBondContact O-CB 3.45Å; K375-L379 VanDerWaalsContact O-CG 3.24Å; K375-L379 WeakPolarHBondContact O-CG 3.37Å; K375-L379 PolarHBondContact O-N 3.25Å; A376-L379 PolarHBondContact O-N 3.03Å; L377-L379 VanDerWaalsContact C-N 3.26Å; L377-L379 PolarHBondContact O-N 3.21Å; L379-F490 HydrophobicContact CD2-CE1 4.06Å; L379-F490 HydrophobicContact CD2-CZ 4.25Å
380	G	97.8	Very high	97.3	Very high	4 Å²	4	7.8 Å²	7.8	4%	0.041	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	5.3	173.7	0	0	0	0	0	115	S351 L377 A378	S351-G380 VanDerWaalsContact CB-O 3.31Å; S351-G380 WeakPolarHBondContact CB-O 3.43Å; L377-G380 PolarHBondContact O-N 3.23Å; L377-G380 VanDerWaalsContact O-N 3.13Å; A378-G380 PolarHBondContact O-N 3.21Å
381	A	98.7	Very high	97.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.051	C	C	.	.			trans	-62.5	140.6	163.8	0	0	0	0	0	109.7	V347 A363 A376 R480	V347-A381 HydrophobicContact CG1-CB 3.87Å; A363-A381 HydrophobicContact CB-CB 3.83Å; A376-A381 WeakPolarHBondContact O-CB 3.45Å; A376-A381 PolarHBondContact O-N 3.36Å; A381-R480 PolarHBondContact O-NH1 3.2Å
382	S	98.6	Very high	96.6	Very high	17 Å²	17	5.5 Å²	5.5	12%	0.119	4%	0.037	C	C	.	.	S	Bend	trans	-83.6	-39.8	172.3	-54.8	0	0	0	0	110.8	S53 A54 P360 V361	S53-S382 VanDerWaalsContact CB-O 3.27Å; S53-S382 WeakPolarHBondContact CB-O 3.47Å; S53-S382 PolarHBondContact OG-O 2.61Å; A54-S382 WeakPolarHBondContact O-CB 3.45Å; P360-S382 WeakPolarHBondContact CA-OG 3.48Å; P360-S382 WeakPolarHBondContact CB-OG 3.41Å; V361-S382 PolarHBondContact N-OG 3.15Å; V361-S382 PolarHBondContact O-N 2.87Å
383	T	98.9	Very high	96.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	166.8	176.4	65.4	0	0	0	0	111	L55 L61 P64 V361 I362 A363	L55-T383 HydrophobicContact CD1-CG2 4.45Å; L61-T383 HydrophobicContact CD1-CG2 4.39Å; P64-T383 HydrophobicContact CB-CG2 4.41Å; P64-T383 WeakPolarHBondContact O-CA 3.22Å; P64-T383 WeakPolarHBondContact O-CB 3.39Å; V361-T383 PolarHBondContact O-N 2.7Å; I362-T383 WeakPolarHBondContact CA-O 3.46Å; I362-T383 WeakPolarHBondContact CG1-OG1 3.25Å; A363-T383 PolarHBondContact N-O 3.1Å
384	V	98.8	Very high	96.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.4	175.9	-67.4	0	0	0	0	111	P64 L65 V66 A363 I367 I373 A376 L377 M386	P64-V384 WeakPolarHBondContact O-CG2 3.22Å; P64-V384 PolarHBondContact O-N 3.27Å; L65-V384 HydrophobicContact CD2-CG2 3.8Å; V66-V384 WeakPolarHBondContact CB-O 3.43Å; V66-V384 PolarHBondContact N-O 3.15Å; A363-V384 HydrophobicContact CB-CG1 4.3Å; A363-V384 WeakPolarHBondContact O-CA 3.44Å; I367-V384 HydrophobicContact CD1-CB 3.51Å; I367-V384 HydrophobicContact CD1-CG1 3.68Å; I367-V384 HydrophobicContact CD1-CG2 4.39Å; I373-V384 HydrophobicContact CB-CG2 4.39Å; I373-V384 HydrophobicContact CD1-CG2 4.5Å; I373-V384 HydrophobicContact CG1-CG2 4.13Å; I373-V384 HydrophobicContact CG2-CB 4.49Å; I373-V384 HydrophobicContact CG2-CG1 4.1Å; I373-V384 HydrophobicContact CG2-CG2 3.61Å; A376-V384 HydrophobicContact CB-CG1 3.82Å; L377-V384 HydrophobicContact CD2-CG1 4.23Å; L377-V384 HydrophobicContact CG-CG1 4.3Å; V384-M386 HydrophobicContact CG2-CG 4.41Å; V384-M386 HydrophobicContact CG2-SD 4.33Å
385	M	98.6	Very high	96.2	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.4	174	-176.2	172.8	-77	0	0	110.3	V66 P69 F90 R322 I362 A363 D364	V66-M385 HydrophobicContact CB-CB 4.39Å; V66-M385 HydrophobicContact CG1-CE 3.66Å; V66-M385 HydrophobicContact CG1-CG 4.4Å; V66-M385 CarbonylContact O-C 3.41Å; V66-M385 WeakPolarHBondContact O-CA 3.06Å; P69-M385 VanDerWaalsContact CD-SD 3.59Å; F90-M385 HydrophobicContact CD2-CE 3.86Å; F90-M385 HydrophobicContact CE2-CE 4.18Å; F90-M385 HydrophobicContact CG-CE 4.39Å; R322-M385 PolarHBondContact NE-SD 3.37Å; R322-M385 PolarHBondContact NH2-SD 3.47Å; R322-M385 VanDerWaalsContact NH2-SD 3.42Å; I362-M385 HydrophobicContact CG2-CB 3.73Å; A363-M385 PolarHBondContact O-N 2.73Å; D364-M385 HydrophobicContact CB-CB 4.03Å; D364-M385 HydrophobicContact CB-SD 4.45Å
386	M	96.6	Very high	96.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	-170.5	-59.6	175.5	-65	0	0	110.4	L65 V66 S68 I367 I373 V384 L389 L390 L460	L65-M386 HydrophobicContact CB-CE 3.78Å; L65-M386 HydrophobicContact CD2-CE 3.72Å; L65-M386 HydrophobicContact CD2-SD 4.18Å; L65-M386 HydrophobicContact CG-CE 4.2Å; V66-M386 PolarHBondContact O-N 2.76Å; S68-M386 PolarHBondContact N-O 3.32Å; S68-M386 VanDerWaalsContact N-O 3.08Å; I367-M386 HydrophobicContact CG2-CG 4.39Å; I373-M386 HydrophobicContact CD1-SD 3.73Å; I373-M386 HydrophobicContact CG1-SD 4.44Å; V384-M386 HydrophobicContact CG2-CG 4.41Å; V384-M386 HydrophobicContact CG2-SD 4.33Å; M386-L389 HydrophobicContact CB-CB 4.29Å; M386-L389 HydrophobicContact SD-CD2 3.71Å; M386-L390 HydrophobicContact CB-CD1 4.12Å; M386-L390 HydrophobicContact CB-CG 4.05Å; M386-L390 HydrophobicContact CE-CD1 4Å; M386-L390 HydrophobicContact CE-CD2 4.36Å; M386-L390 HydrophobicContact CE-CG 4.25Å; M386-L460 HydrophobicContact CE-CD1 4.38Å; M386-L460 HydrophobicContact SD-CD1 4.24Å
387	G	93.5	Very high	95.8	Very high	11 Å²	11	10.1 Å²	10.1	11%	0.113	7%	0.065	C	C	.	.	S	Bend	trans	-97.9	-82	170.6	0	0	0	0	0	110.5	L389 L390 A391	G387-L389 PolarHBondContact O-N 3Å; G387-L389 VanDerWaalsContact O-N 3.11Å; G387-L390 CarbonylContact O-C 3.58Å; G387-L390 PolarHBondContact O-N 3.04Å; G387-A391 PolarHBondContact O-N 3.05Å
388	S	91.6	Very high	95.3	Very high	25 Å²	25	12.6 Å²	12.6	18%	0.175	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.7	-172	60.1	0	0	0	0	114.4	S329 L390 Y411 K450	S329-S388 WeakPolarHBondContact OG-CB 3.29Å; S388-L390 VanDerWaalsContact C-N 3.33Å; S388-Y411 PolarHBondContact N-OH 2.82Å; S388-K450 PolarHBondContact O-NZ 2.96Å
389	L	91.1	Very high	94.7	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.084	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-39	177.5	-161.6	61.2	0	0	0	111.2	I367 Q368 I373 M386 G387 K450 F456 L460	I367-L389 HydrophobicContact CG2-CD2 4.47Å; Q368-L389 WeakPolarHBondContact O-CD1 3.41Å; I373-L389 HydrophobicContact CD1-CD2 4.16Å; M386-L389 HydrophobicContact CB-CB 4.29Å; M386-L389 HydrophobicContact SD-CD2 3.71Å; G387-L389 PolarHBondContact O-N 3Å; G387-L389 VanDerWaalsContact O-N 3.11Å; L389-K450 WeakPolarHBondContact O-CD 3.34Å; L389-K450 PolarHBondContact O-NZ 2.84Å; L389-F456 HydrophobicContact CD1-CE1 4.23Å; L389-F456 HydrophobicContact CD1-CZ 3.76Å; L389-F456 HydrophobicContact CD2-CZ 4.39Å; L389-F456 HydrophobicContact CG-CE1 3.81Å; L389-F456 HydrophobicContact CG-CZ 3.78Å; L389-F456 WeakPolarHBondContact O-CE1 3.15Å; L389-L460 HydrophobicContact CD2-CD1 4Å; L389-L460 HydrophobicContact CD2-CD2 4.1Å
390	L	95	Very high	94.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-14.2	179.7	-60.6	-178.1	0	0	0	113.7	V73 M78 M82 M386 G387 S388 T393 F456	V73-L390 HydrophobicContact CG1-CB 4.15Å; M78-L390 HydrophobicContact CE-CB 3.98Å; M78-L390 HydrophobicContact SD-CB 4.45Å; M78-L390 HydrophobicContact SD-CD1 4.24Å; M82-L390 HydrophobicContact CE-CD1 4.19Å; M82-L390 HydrophobicContact SD-CD1 3.85Å; M386-L390 HydrophobicContact CB-CD1 4.12Å; M386-L390 HydrophobicContact CB-CG 4.05Å; M386-L390 HydrophobicContact CE-CD1 4Å; M386-L390 HydrophobicContact CE-CD2 4.36Å; M386-L390 HydrophobicContact CE-CG 4.25Å; G387-L390 CarbonylContact O-C 3.58Å; G387-L390 PolarHBondContact O-N 3.04Å; S388-L390 VanDerWaalsContact C-N 3.33Å; L390-T393 VanDerWaalsContact O-CG2 3.25Å; L390-T393 WeakPolarHBondContact O-CG2 3.13Å; L390-T393 PolarHBondContact O-OG1 2.92Å; L390-F456 HydrophobicContact CD2-CD1 4.37Å; L390-F456 HydrophobicContact CD2-CE1 4.43Å
391	A	91.7	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	152.1	170.8	0	0	0	0	0	110.7	V73 G387 T393 Y411 K450	V73-A391 HydrophobicContact CG2-CB 4.28Å; G387-A391 PolarHBondContact O-N 3.05Å; A391-T393 PolarHBondContact O-N 3.34Å; A391-Y411 HydrophobicContact CB-CD2 3.41Å; A391-Y411 VanDerWaalsContact CB-CD2 3.41Å; A391-Y411 HydrophobicContact CB-CE2 3.72Å; A391-Y411 HydrophobicContact CB-CG 3.9Å; A391-K450 PolarHBondContact O-NZ 3.42Å
392	A	89.1	Confident	93.7	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.025	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	18.2	-178.5	0	0	0	0	0	115.6	K409 V447 Q448 D449 K450	A392-K409 HydrophobicContact CB-CB 3.87Å; A392-K409 HydrophobicContact CB-CG 4.45Å; A392-V447 HydrophobicContact CB-CB 3.88Å; A392-V447 HydrophobicContact CB-CG1 4.02Å; A392-V447 VanDerWaalsContact CB-O 3.31Å; A392-V447 WeakPolarHBondContact CB-O 3.28Å; A392-Q448 VanDerWaalsContact CB-O 3.27Å; A392-Q448 WeakPolarHBondContact CB-O 3.38Å; A392-D449 WeakPolarHBondContact O-CA 3.49Å; A392-D449 VanDerWaalsContact O-OD1 3.13Å; A392-K450 PolarHBondContact O-N 2.94Å; A392-K450 VanDerWaalsContact O-N 3.12Å
393	T	95.4	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-80.1	166.8	164.3	61.7	0	0	0	0	110.3	M78 L390 A391 E395 A396 K409 K450 G451 I453	M78-T393 VanDerWaalsContact CE-OG1 3.28Å; M78-T393 WeakPolarHBondContact CE-OG1 3.3Å; L390-T393 VanDerWaalsContact O-CG2 3.25Å; L390-T393 WeakPolarHBondContact O-CG2 3.13Å; L390-T393 PolarHBondContact O-OG1 2.92Å; A391-T393 PolarHBondContact O-N 3.34Å; T393-E395 VanDerWaalsContact C-N 3.27Å; T393-E395 PolarHBondContact O-N 3.41Å; T393-A396 PolarHBondContact O-N 2.97Å; T393-A396 PolarHBondContact OG1-N 2.94Å; T393-K409 PolarHBondContact O-NZ 2.9Å; T393-K450 HydrophobicContact CG2-CB 4.25Å; T393-G451 CarbonylContact C-O 3.52Å; T393-G451 WeakPolarHBondContact CA-O 3.38Å; T393-G451 VanDerWaalsContact CB-O 3.23Å; T393-G451 WeakPolarHBondContact CB-O 3.25Å; T393-I453 HydrophobicContact CG2-CG2 3.66Å
394	T	95.4	Very high	92.8	Very high	77 Å²	77	41.8 Å²	41.8	47%	0.472	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.2	178.6	-53.8	0	0	0	0	111.8	Y400 K409 G451	T394-Y400 WeakPolarHBondContact CA-OH 3.38Å; T394-Y400 PolarHBondContact N-OH 3.18Å; T394-K409 PolarHBondContact O-NZ 3.31Å; T394-G451 PolarHBondContact N-O 3.25Å
395	E	96.6	Very high	92.3	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-15.1	-177.7	-59.4	76.7	-169.7	0	0	114	M78 A81 T393 S452 I453 H454	M78-E395 PolarHBondContact N-O 2.67Å; A81-E395 HydrophobicContact CB-CG 4.08Å; T393-E395 VanDerWaalsContact C-N 3.27Å; T393-E395 PolarHBondContact O-N 3.41Å; E395-S452 VanDerWaalsContact OE1-CB 3.29Å; E395-S452 WeakPolarHBondContact OE1-CB 3.44Å; E395-S452 PolarHBondContact OE1-OG 3.46Å; E395-S452 WeakPolarHBondContact OE2-CA 3.34Å; E395-I453 HydrophobicContact CB-CD1 4.48Å; E395-I453 HydrophobicContact CG-CD1 4.43Å; E395-I453 HydrophobicContact CG-CG1 4.1Å; E395-I453 WeakPolarHBondContact OE2-CG2 3.36Å; E395-I453 PolarHBondContact OE2-N 3.03Å; E395-H454 IonicContact OE1-CD2 3.29Å
396	A	95.5	Very high	91.9	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.033	28%	0.283	C	S	.	.	S	Bend	trans	-68.1	140.5	174	0	0	0	0	0	110.5	M78 T393 K409	M78-A396 HydrophobicContact CE-CB 4.01Å; T393-A396 PolarHBondContact O-N 2.97Å; T393-A396 PolarHBondContact OG1-N 2.94Å; A396-K409 PolarHBondContact O-NZ 3.09Å
397	P	92.6	Very high	91.6	Very high	15 Å²	15	54 Å²	54	10%	0.097	30%	0.303	C	S	.	.	S	Bend	trans	-64	156	-179.2	28.8	-36.3	0	0	0	112.4	D71 V73 E75	D71-P397 WeakPolarHBondContact O-CG 3.25Å; V73-P397 WeakPolarHBondContact O-CD 3.26Å; E75-P397 HydrophobicContact CB-CB 4.38Å; E75-P397 HydrophobicContact CG-CB 3.92Å; E75-P397 HydrophobicContact CG-CG 4.12Å
398	G	88.6	Confident	91.5	Very high	53 Å²	53	54.7 Å²	54.7	55%	0.546	30%	0.304	S	S	.	.	S	Bend	trans	97.4	156.3	179.8	0	0	0	0	0	114.2	K409	G398-K409 WeakPolarHBondContact O-CE 3.43Å; G398-K409 PolarHBondContact O-NZ 2.87Å
399	E	86.6	Confident	91.5	Very high	168 Å²	168	53.9 Å²	53.9	79%	0.785	30%	0.297	S	S	*	.			trans	-84.8	148.5	-177.5	-65.4	-56.1	137.7	0	0	112.4
400	Y	90.8	Very high	91.5	Very high	45 Å²	45	60.4 Å²	60.4	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	145.5	170.5	-72.4	-78.6	0	0	0	110.8	T394 R407 L408 K409 D449	T394-Y400 WeakPolarHBondContact CA-OH 3.38Å; T394-Y400 PolarHBondContact N-OH 3.18Å; Y400-R407 HydrophobicContact CD1-CG 3.72Å; Y400-R407 HydrophobicContact CE1-CG 4.39Å; Y400-R407 HydrophobicContact CG-CG 4.18Å; Y400-R407 VanDerWaalsContact CG-NE 3.27Å; Y400-L408 WeakPolarHBondContact CA-O 3.34Å; Y400-K409 HydrophobicContact CD1-CD 4.25Å; Y400-K409 HydrophobicContact CD1-CG 3.51Å; Y400-K409 HydrophobicContact CE1-CD 4.06Å; Y400-K409 HydrophobicContact CE1-CG 3.68Å; Y400-K409 HydrophobicContact CG-CG 4.06Å; Y400-K409 VanDerWaalsContact CZ-CE 3.41Å; Y400-D449 HydrophobicContact CD1-CB 4.41Å; Y400-D449 HydrophobicContact CE1-CB 3.67Å; Y400-D449 WeakPolarHBondContact CE1-OD1 3.27Å; Y400-D449 PolarHBondContact OH-OD1 3.23Å
401	F	91.2	Very high	91.1	Very high	71 Å²	71	61 Å²	61	31%	0.311	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.9	167.2	68.9	-83	0	0	0	109.8	L408 K410 A446	F401-L408 HydrophobicContact CE1-CB 4.07Å; F401-L408 HydrophobicContact CE2-CB 4.15Å; F401-L408 HydrophobicContact CE2-CD1 4.06Å; F401-L408 HydrophobicContact CZ-CB 3.87Å; F401-L408 HydrophobicContact CZ-CD1 4.22Å; F401-L408 PolarHBondContact N-O 3.01Å; F401-L408 PolarHBondContact O-N 3.21Å; F401-K410 HydrophobicContact CD1-CG 4.3Å; F401-K410 HydrophobicContact CE1-CG 3.6Å; F401-K410 HydrophobicContact CZ-CG 4.34Å; F401-A446 HydrophobicContact CE1-CB 4.36Å; F401-A446 HydrophobicContact CZ-CB 3.73Å
402	F	91.3	Very high	90.9	Very high	143 Å²	143	62.3 Å²	62.3	63%	0.627	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.1	178.2	-70.4	-94.2	0	0	0	110.3	I406 R407	F402-I406 WeakPolarHBondContact CA-O 3.41Å; F402-R407 HydrophobicContact CD1-CB 4.09Å; F402-R407 HydrophobicContact CE1-CB 3.65Å; F402-R407 HydrophobicContact CE1-CG 3.98Å; F402-R407 HydrophobicContact CE2-CG 4.38Å; F402-R407 HydrophobicContact CZ-CB 4.09Å; F402-R407 HydrophobicContact CZ-CG 3.88Å
403	S	88.4	Confident	90.4	Very high	50 Å²	50	62.5 Å²	62.5	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.1	167.3	-167.5	0	0	0	0	107.4	G405 I406	S403-G405 PolarHBondContact O-N 3.41Å; S403-G405 VanDerWaalsContact O-N 3.14Å; S403-I406 PolarHBondContact N-O 2.91Å; S403-I406 WeakPolarHBondContact O-CB 3.32Å; S403-I406 PolarHBondContact O-N 2.98Å
404	D	90.3	Very high	89.8	Confident	158 Å²	158	62.8 Å²	62.8	85%	0.845	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	36.7	179	-51.1	-52.6	0	0	0	113.8	I406	D404-I406 PolarHBondContact O-N 3.46Å
405	G	88.2	Confident	88.9	Confident	72 Å²	72	59.1 Å²	59.1	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-1.7	-177.3	0	0	0	0	0	115	S403	S403-G405 PolarHBondContact O-N 3.41Å; S403-G405 VanDerWaalsContact O-N 3.14Å
406	I	89.7	Confident	88	Confident	77 Å²	77	57.5 Å²	57.5	40%	0.395	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	178	-52.7	177.8	0	0	0	109.5	F402 S403 D404 L408 Q448	F402-I406 WeakPolarHBondContact CA-O 3.41Å; S403-I406 PolarHBondContact N-O 2.91Å; S403-I406 WeakPolarHBondContact O-CB 3.32Å; S403-I406 PolarHBondContact O-N 2.98Å; D404-I406 PolarHBondContact O-N 3.46Å; I406-L408 HydrophobicContact CB-CD2 4.35Å; I406-L408 HydrophobicContact CG2-CD2 3.63Å; I406-L408 HydrophobicContact CG2-CG 4.3Å; I406-Q448 HydrophobicContact CG2-CG 3.85Å
407	R	90.5	Very high	87.3	Confident	110 Å²	110	61.2 Å²	61.2	42%	0.415	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.9	174.4	-165.9	-177.3	-173.1	-179.4	6.8	110.6	Y400 F402 D449	Y400-R407 HydrophobicContact CD1-CG 3.72Å; Y400-R407 HydrophobicContact CE1-CG 4.39Å; Y400-R407 HydrophobicContact CG-CG 4.18Å; Y400-R407 VanDerWaalsContact CG-NE 3.27Å; F402-R407 HydrophobicContact CD1-CB 4.09Å; F402-R407 HydrophobicContact CE1-CB 3.65Å; F402-R407 HydrophobicContact CE1-CG 3.98Å; F402-R407 HydrophobicContact CE2-CG 4.38Å; F402-R407 HydrophobicContact CZ-CB 4.09Å; F402-R407 HydrophobicContact CZ-CG 3.88Å; R407-D449 HydrophobicContact CB-CB 4.41Å; R407-D449 HydrophobicContact CG-CB 4.41Å; R407-D449 IonicContact NH1-OD2 3.17Å; R407-D449 PolarHBondContact O-N 3.01Å
408	L	92.5	Very high	86.6	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.141	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	158.1	-173.2	-54.6	176.9	0	0	0	111.6	Y400 F401 I406 A446 V447 Q448	Y400-L408 WeakPolarHBondContact CA-O 3.34Å; F401-L408 HydrophobicContact CE1-CB 4.07Å; F401-L408 HydrophobicContact CE2-CB 4.15Å; F401-L408 HydrophobicContact CE2-CD1 4.06Å; F401-L408 HydrophobicContact CZ-CB 3.87Å; F401-L408 HydrophobicContact CZ-CD1 4.22Å; F401-L408 PolarHBondContact N-O 3.01Å; F401-L408 PolarHBondContact O-N 3.21Å; I406-L408 HydrophobicContact CB-CD2 4.35Å; I406-L408 HydrophobicContact CG2-CD2 3.63Å; I406-L408 HydrophobicContact CG2-CG 4.3Å; L408-A446 HydrophobicContact CB-CB 4.27Å; L408-A446 HydrophobicContact CD1-CB 4.11Å; L408-V447 WeakPolarHBondContact CA-O 3.34Å; L408-Q448 HydrophobicContact CD2-CB 4.05Å
409	K	92.1	Very high	86	Confident	8 Å²	8	62 Å²	62	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.9	159.6	-75.4	-166.3	176.4	169.7	0	110.4	A392 T393 T394 A396 G398 Y400 A446 V447	A392-K409 HydrophobicContact CB-CB 3.87Å; A392-K409 HydrophobicContact CB-CG 4.45Å; T393-K409 PolarHBondContact O-NZ 2.9Å; T394-K409 PolarHBondContact O-NZ 3.31Å; A396-K409 PolarHBondContact O-NZ 3.09Å; G398-K409 WeakPolarHBondContact O-CE 3.43Å; G398-K409 PolarHBondContact O-NZ 2.87Å; Y400-K409 HydrophobicContact CD1-CD 4.25Å; Y400-K409 HydrophobicContact CD1-CG 3.51Å; Y400-K409 HydrophobicContact CE1-CD 4.06Å; Y400-K409 HydrophobicContact CE1-CG 3.68Å; Y400-K409 HydrophobicContact CG-CG 4.06Å; Y400-K409 VanDerWaalsContact CZ-CE 3.41Å; K409-A446 CarbonylContact O-C 3.59Å; K409-A446 VanDerWaalsContact O-CA 3.27Å; K409-A446 WeakPolarHBondContact O-CA 3.29Å; K409-V447 PolarHBondContact N-O 3.05Å; K409-V447 PolarHBondContact O-N 3.17Å
410	K	89.4	Confident	85.6	Confident	153 Å²	153	54 Å²	54	67%	0.665	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.5	174.1	-65.8	-173.8	179.2	179.1	0	109.7	T72 F401	T72-K410 WeakPolarHBondContact CG2-O 3.35Å; F401-K410 HydrophobicContact CD1-CG 4.3Å; F401-K410 HydrophobicContact CE1-CG 3.6Å; F401-K410 HydrophobicContact CZ-CG 4.34Å
411	Y	88.1	Confident	85	Confident	12 Å²	12	56.7 Å²	56.7	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.6	177.3	179.5	-124.3	0	0	0	109	M70 T72 V73 I330 S388 A391 G445 V447	M70-Y411 HydrophobicContact CE-CD2 4.35Å; M70-Y411 HydrophobicContact CE-CE2 3.49Å; M70-Y411 VanDerWaalsContact CE-CE2 3.49Å; M70-Y411 HydrophobicContact SD-CE2 4.39Å; T72-Y411 WeakPolarHBondContact OG1-CD2 3.36Å; V73-Y411 HydrophobicContact CG2-CD2 4.34Å; V73-Y411 HydrophobicContact CG2-CE2 3.79Å; I330-Y411 HydrophobicContact CB-CE1 4.45Å; I330-Y411 HydrophobicContact CD1-CD1 4.09Å; I330-Y411 HydrophobicContact CD1-CE1 3.57Å; I330-Y411 HydrophobicContact CD1-CE2 4.07Å; I330-Y411 HydrophobicContact CG1-CE1 4.16Å; I330-Y411 HydrophobicContact CG2-CD1 3.73Å; I330-Y411 HydrophobicContact CG2-CE1 3.53Å; S388-Y411 PolarHBondContact N-OH 2.82Å; A391-Y411 HydrophobicContact CB-CD2 3.41Å; A391-Y411 VanDerWaalsContact CB-CD2 3.41Å; A391-Y411 HydrophobicContact CB-CE2 3.72Å; A391-Y411 HydrophobicContact CB-CG 3.9Å; Y411-G445 PolarHBondContact N-O 3.03Å; Y411-G445 CarbonylContact O-C 3.55Å; Y411-G445 PolarHBondContact O-N 3.39Å; Y411-G445 VanDerWaalsContact O-O 3.07Å; Y411-V447 HydrophobicContact CD1-CG2 3.76Å; Y411-V447 HydrophobicContact CG-CG2 3.99Å
412	R	86.6	Confident	84.1	Confident	28 Å²	28	59.6 Å²	59.6	11%	0.106	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.4	-173	67.8	-179.2	179.6	168.6	9.8	112.7	M70 D71 T72 I330 D418 S444	M70-R412 WeakPolarHBondContact CE-O 3.35Å; D71-R412 IonicContact OD1-NE 2.73Å; D71-R412 PolarHBondContact OD1-NE 2.9Å; D71-R412 IonicContact OD2-CZ 2.68Å; D71-R412 IonicContact OD2-NE 3.81Å; D71-R412 PolarHBondContact OD2-NE 3.09Å; D71-R412 IonicContact OD2-NH2 3.21Å; D71-R412 PolarHBondContact OD2-NH2 2.72Å; T72-R412 HydrophobicContact CG2-CG 3.96Å; T72-R412 PolarHBondContact OG1-N 3.22Å; I330-R412 WeakPolarHBondContact CD1-O 3.43Å; R412-D418 PolarHBondContact NH1-O 2.73Å; R412-S444 WeakPolarHBondContact CB-OG 3.37Å
413	G	79.6	Confident	83.3	Confident	6 Å²	6	56.7 Å²	56.7	6%	0.062	30%	0.296	C	S	.	.			trans	-80.6	145.4	178	0	0	0	0	0	110.1	G415 S416 A419 V443	G413-G415 PolarHBondContact O-N 3.31Å; G413-G415 VanDerWaalsContact O-N 3.08Å; G413-S416 WeakPolarHBondContact O-CB 3.13Å; G413-S416 PolarHBondContact O-N 3.42Å; G413-S416 PolarHBondContact O-OG 2.7Å; G413-A419 VanDerWaalsContact O-CB 3.3Å; G413-A419 WeakPolarHBondContact O-CB 3.43Å; G413-V443 PolarHBondContact N-O 2.8Å
414	M	82.1	Confident	82.6	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.03	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.9	174.3	-60.9	-46.1	-57	0	0	112.1	M70 N94 S426 Y430	M70-M414 HydrophobicContact CB-SD 4.34Å; M70-M414 HydrophobicContact CG-CG 4.25Å; M70-M414 HydrophobicContact CG-SD 4.36Å; N94-M414 HydrophobicContact CB-CE 3.55Å; M414-S426 WeakPolarHBondContact CE-OG 3.32Å; M414-S426 WeakPolarHBondContact O-CB 3.37Å; M414-Y430 HydrophobicContact CB-CE2 4.18Å; M414-Y430 WeakPolarHBondContact O-CE2 3.34Å
415	G	75.6	Confident	81.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.6	176.1	0	0	0	0	0	115	G413 M420 Y430 A440 Q441 G442	G413-G415 PolarHBondContact O-N 3.31Å; G413-G415 VanDerWaalsContact O-N 3.08Å; G415-M420 WeakPolarHBondContact O-CE 3.28Å; G415-Y430 WeakPolarHBondContact CA-OH 3.39Å; G415-Y430 VanDerWaalsContact N-CZ 3.32Å; G415-Y430 PolarHBondContact N-OH 3.43Å; G415-A440 WeakPolarHBondContact O-CA 3.43Å; G415-Q441 PolarHBondContact O-N 3.3Å; G415-G442 PolarHBondContact O-N 3.4Å
416	S	79.6	Confident	80.9	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	23%	0.232	C	C	.	.	S	Bend	trans	-77.9	153.5	171	83.1	0	0	0	0	110.7	G413 D418 A419 M420 G442 S444	G413-S416 WeakPolarHBondContact O-CB 3.13Å; G413-S416 PolarHBondContact O-N 3.42Å; G413-S416 PolarHBondContact O-OG 2.7Å; S416-D418 PolarHBondContact O-N 3.31Å; S416-A419 PolarHBondContact O-N 3.49Å; S416-A419 VanDerWaalsContact O-N 3.09Å; S416-A419 PolarHBondContact OG-N 2.69Å; S416-M420 WeakPolarHBondContact O-CG 3.23Å; S416-M420 PolarHBondContact O-N 3.48Å; S416-G442 VanDerWaalsContact CA-O 3.29Å; S416-G442 WeakPolarHBondContact CA-O 3.35Å; S416-G442 WeakPolarHBondContact CB-O 3.39Å; S416-S444 PolarHBondContact OG-OG 2.86Å; S416-S444 VanDerWaalsContact OG-OG 3.07Å
417	L	79.6	Confident	80.3	Confident	82 Å²	82	46 Å²	46	43%	0.429	22%	0.218	S	C	.	.	H	α-helix	trans	-55.8	-42.5	177.3	-66.9	172	0	0	0	111.1	A419 M420 D421 K438 A440	L417-A419 PolarHBondContact O-N 2.92Å; L417-M420 HydrophobicContact CD2-CE 3.94Å; L417-M420 PolarHBondContact O-N 3.16Å; L417-D421 VanDerWaalsContact O-CB 3.3Å; L417-D421 WeakPolarHBondContact O-CB 3.35Å; L417-D421 PolarHBondContact O-N 3.31Å; L417-K438 HydrophobicContact CD2-CB 4.27Å; L417-A440 HydrophobicContact CD2-CB 4.28Å; L417-A440 HydrophobicContact CG-CB 4.07Å
418	D	78.8	Confident	79.7	Confident	85 Å²	85	41.8 Å²	41.8	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-32.4	178.8	-60.4	-26.3	0	0	0	113.7	R412 S416 K422 S444	R412-D418 PolarHBondContact NH1-O 2.73Å; S416-D418 PolarHBondContact O-N 3.31Å; D418-K422 WeakPolarHBondContact O-CG 3.37Å; D418-S444 WeakPolarHBondContact OD2-CB 3.37Å; D418-S444 PolarHBondContact OD2-OG 3.5Å
419	A	74.3	Confident	79.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-79.1	-45.6	177.3	0	0	0	0	0	110.6	G413 S416 L417 K422 H423 S426	G413-A419 VanDerWaalsContact O-CB 3.3Å; G413-A419 WeakPolarHBondContact O-CB 3.43Å; S416-A419 PolarHBondContact O-N 3.49Å; S416-A419 VanDerWaalsContact O-N 3.09Å; S416-A419 PolarHBondContact OG-N 2.69Å; L417-A419 PolarHBondContact O-N 2.92Å; A419-K422 PolarHBondContact O-N 2.73Å; A419-H423 PolarHBondContact O-N 3.39Å; A419-S426 WeakPolarHBondContact O-CB 3.48Å; A419-S426 PolarHBondContact O-OG 3.11Å
420	M	79.1	Confident	78.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-38.9	179.3	-69.8	-168.1	-62.5	0	0	113.3	G415 S416 L417 K422 Q427 Y430 K438 A440	G415-M420 WeakPolarHBondContact O-CE 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.23Å; S416-M420 PolarHBondContact O-N 3.48Å; L417-M420 HydrophobicContact CD2-CE 3.94Å; L417-M420 PolarHBondContact O-N 3.16Å; M420-K422 VanDerWaalsContact C-N 3.32Å; M420-Q427 HydrophobicContact CB-CG 3.9Å; M420-Q427 HydrophobicContact CG-CG 4.31Å; M420-Q427 WeakPolarHBondContact O-CG 3.4Å; M420-Q427 PolarHBondContact O-NE2 3.33Å; M420-Y430 HydrophobicContact SD-CD2 4.45Å; M420-K438 HydrophobicContact CE-CB 4.41Å; M420-A440 HydrophobicContact CE-CB 4.3Å
421	D	78.6	Confident	78.1	Confident	100 Å²	100	38.7 Å²	38.7	54%	0.535	19%	0.189	S	C	.	.	H	α-helix	trans	-73.8	-25.9	-179.6	-72	-21.5	0	0	0	112.6	L417 K438	L417-D421 VanDerWaalsContact O-CB 3.3Å; L417-D421 WeakPolarHBondContact O-CB 3.35Å; L417-D421 PolarHBondContact O-N 3.31Å; D421-K438 IonicContact OD1-NZ 3.75Å; D421-K438 PolarHBondContact OD1-NZ 2.98Å
422	K	71.5	Confident	77.2	Confident	132 Å²	132	38.4 Å²	38.4	57%	0.574	19%	0.189	S	C	*	.	H	α-helix	trans	-75.7	-39.7	177.8	-77.9	-172.4	-172.5	176.9	0	113	D418 A419 M420	D418-K422 WeakPolarHBondContact O-CG 3.37Å; A419-K422 PolarHBondContact O-N 2.73Å; M420-K422 VanDerWaalsContact C-N 3.32Å
423	H	74.5	Confident	76.4	Confident	82 Å²	82	40.7 Å²	40.7	38%	0.38	20%	0.2	S	C	.	.			trans	-149	147.9	-179.5	-54.8	-72.5	0	0	0	114	N94 A419 S425 S426	N94-H423 PolarHBondContact O-CD2 3.33Å; N94-H423 VanDerWaalsContact OD1-CB 3.29Å; N94-H423 WeakPolarHBondContact OD1-CB 3.48Å; A419-H423 PolarHBondContact O-N 3.39Å; H423-S425 VanDerWaalsContact C-N 3.28Å; H423-S425 PolarHBondContact O-N 3.28Å; H423-S426 PolarHBondContact O-N 3.34Å
424	L	75.1	Confident	75.8	Confident	95 Å²	95	44.9 Å²	44.9	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-31.5	178.6	-170.3	68.7	0	0	0	113.4	S426 Q427 N428 E433	L424-S426 VanDerWaalsContact C-N 3.28Å; L424-S426 PolarHBondContact O-N 2.76Å; L424-Q427 WeakPolarHBondContact O-CA 3.38Å; L424-Q427 WeakPolarHBondContact O-CB 3.45Å; L424-Q427 PolarHBondContact O-N 3.48Å; L424-N428 PolarHBondContact O-N 2.79Å; L424-N428 PolarHBondContact O-OD1 3.46Å; L424-E433 HydrophobicContact CD1-CB 4Å
425	S	70.4	Confident	75.2	Confident	13 Å²	13	48.4 Å²	48.4	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-35.1	-179.2	42.9	0	0	0	0	113.5	H93 N94 H423 Q427 R429	H93-S425 WeakPolarHBondContact ND1-CB 3.26Å; H93-S425 WeakPolarHBondContact O-CB 3.48Å; H93-S425 PolarHBondContact O-OG 3.12Å; N94-S425 WeakPolarHBondContact CA-OG 3.46Å; N94-S425 PolarHBondContact OD1-OG 3.29Å; H423-S425 VanDerWaalsContact C-N 3.28Å; H423-S425 PolarHBondContact O-N 3.28Å; S425-Q427 VanDerWaalsContact C-N 3.34Å; S425-R429 PolarHBondContact O-N 3.49Å
426	S	71.8	Confident	74.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-38.6	172.5	-68	0	0	0	0	111.3	N94 M414 A419 H423 L424 R429 Y430	N94-S426 VanDerWaalsContact CG-OG 3.27Å; N94-S426 PolarHBondContact OD1-OG 3.36Å; M414-S426 WeakPolarHBondContact CE-OG 3.32Å; M414-S426 WeakPolarHBondContact O-CB 3.37Å; A419-S426 WeakPolarHBondContact O-CB 3.48Å; A419-S426 PolarHBondContact O-OG 3.11Å; H423-S426 PolarHBondContact O-N 3.34Å; L424-S426 VanDerWaalsContact C-N 3.28Å; L424-S426 PolarHBondContact O-N 2.76Å; S426-R429 WeakPolarHBondContact O-CB 3.08Å; S426-R429 PolarHBondContact O-N 2.92Å; S426-Y430 WeakPolarHBondContact O-CD2 3.46Å
427	Q	76.9	Confident	74.5	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.112	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-46	178.9	-59.4	175.6	33.2	0	0	111.6	M420 L424 S425 R429 Y430 F431 S432 E433 K438	M420-Q427 HydrophobicContact CB-CG 3.9Å; M420-Q427 HydrophobicContact CG-CG 4.31Å; M420-Q427 WeakPolarHBondContact O-CG 3.4Å; M420-Q427 PolarHBondContact O-NE2 3.33Å; L424-Q427 WeakPolarHBondContact O-CA 3.38Å; L424-Q427 WeakPolarHBondContact O-CB 3.45Å; L424-Q427 PolarHBondContact O-N 3.48Å; S425-Q427 VanDerWaalsContact C-N 3.34Å; Q427-R429 PolarHBondContact O-N 2.89Å; Q427-Y430 CarbonylContact O-C 3.53Å; Q427-Y430 PolarHBondContact O-N 3Å; Q427-F431 PolarHBondContact O-N 3.07Å; Q427-F431 VanDerWaalsContact O-N 3.17Å; Q427-S432 PolarHBondContact O-N 3.35Å; Q427-E433 HydrophobicContact CB-CB 4.47Å; Q427-K438 VanDerWaalsContact NE2-NZ 3.19Å
428	N	77.9	Confident	74.4	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.123	33%	0.326	C	S	.	.	H	α-helix	trans	-53.8	-38.4	177.1	-74.9	5.3	0	0	0	112.5	H253 L424 Y430 F431 E433	H253-N428 PolarHBondContact CD2-ND2 3.44Å; H253-N428 VanDerWaalsContact NE2-CB 3.31Å; H253-N428 WeakPolarHBondContact NE2-CB 3.07Å; L424-N428 PolarHBondContact O-N 2.79Å; L424-N428 PolarHBondContact O-OD1 3.46Å; N428-Y430 PolarHBondContact O-N 3.35Å; N428-F431 PolarHBondContact O-N 3.31Å; N428-E433 WeakPolarHBondContact OD1-CB 3.24Å
429	R	83.4	Confident	74.5	Confident	28 Å²	28	63.8 Å²	63.8	11%	0.106	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.5	177.4	-179.2	176.6	174.5	169.4	-2.2	113.4	D274 S276 S425 S426 Q427	D274-R429 IonicContact OD1-CZ 3.31Å; D274-R429 IonicContact OD1-NE 2.63Å; D274-R429 IonicContact OD1-NH1 2.58Å; D274-R429 PolarHBondContact OD1-NH1 3.38Å; D274-R429 IonicContact OD1-NH2 2.77Å; D274-R429 PolarHBondContact OD1-NH2 3.35Å; D274-R429 WeakPolarHBondContact OD2-CD 3.36Å; D274-R429 IonicContact OD2-CZ 2.65Å; D274-R429 VanDerWaalsContact OD2-CZ 3.22Å; D274-R429 IonicContact OD2-NE 3.23Å; D274-R429 PolarHBondContact OD2-NE 3.25Å; D274-R429 IonicContact OD2-NH1 3.37Å; D274-R429 PolarHBondContact OD2-NH1 3.17Å; S276-R429 PolarHBondContact N-O 2.94Å; S276-R429 PolarHBondContact OG-O 3.33Å; S276-R429 VanDerWaalsContact OG-O 3.05Å; S425-R429 PolarHBondContact O-N 3.49Å; S426-R429 WeakPolarHBondContact O-CB 3.08Å; S426-R429 PolarHBondContact O-N 2.92Å; Q427-R429 PolarHBondContact O-N 2.89Å
430	Y	80.6	Confident	74.9	Confident	17 Å²	17	65 Å²	65	7%	0.067	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	8	-177.5	-61.6	-77.8	0	0	0	113.6	M414 G415 M420 S426 Q427 N428 S432 Q441	M414-Y430 HydrophobicContact CB-CE2 4.18Å; M414-Y430 WeakPolarHBondContact O-CE2 3.34Å; G415-Y430 WeakPolarHBondContact CA-OH 3.39Å; G415-Y430 VanDerWaalsContact N-CZ 3.32Å; G415-Y430 PolarHBondContact N-OH 3.43Å; M420-Y430 HydrophobicContact SD-CD2 4.45Å; S426-Y430 WeakPolarHBondContact O-CD2 3.46Å; Q427-Y430 CarbonylContact O-C 3.53Å; Q427-Y430 PolarHBondContact O-N 3Å; N428-Y430 PolarHBondContact O-N 3.35Å; Y430-S432 VanDerWaalsContact C-N 3.28Å; Y430-S432 PolarHBondContact O-N 3.25Å; Y430-S432 PolarHBondContact O-OG 3.29Å; Y430-Q441 HydrophobicContact CD1-CB 3.83Å; Y430-Q441 HydrophobicContact CD1-CG 4.07Å; Y430-Q441 HydrophobicContact CE1-CB 3.72Å; Y430-Q441 HydrophobicContact CE1-CG 4.43Å
431	F	76.3	Confident	75.2	Confident	77 Å²	77	65.4 Å²	65.4	34%	0.338	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	37.7	179.9	-50	-79.4	0	0	0	113.2	F282 Q427 N428 E433	F282-F431 HydrophobicContact CD2-CE1 4.42Å; Q427-F431 PolarHBondContact O-N 3.07Å; Q427-F431 VanDerWaalsContact O-N 3.17Å; N428-F431 PolarHBondContact O-N 3.31Å; F431-E433 VanDerWaalsContact C-OE2 3.26Å; F431-E433 VanDerWaalsContact CA-OE2 3.32Å; F431-E433 WeakPolarHBondContact CA-OE2 3.38Å
432	S	68.6	Low	75.4	Confident	6 Å²	6	60.9 Å²	60.9	4%	0.042	31%	0.313	C	S	.	.			trans	-115.4	12.2	-175.7	-63.3	0	0	0	0	114	Q427 Y430 A434 D435	Q427-S432 PolarHBondContact O-N 3.35Å; Y430-S432 VanDerWaalsContact C-N 3.28Å; Y430-S432 PolarHBondContact O-N 3.25Å; Y430-S432 PolarHBondContact O-OG 3.29Å; S432-A434 VanDerWaalsContact C-N 3.28Å; S432-A434 PolarHBondContact O-N 3.07Å; S432-D435 WeakPolarHBondContact CA-OD2 3.27Å; S432-D435 PolarHBondContact O-N 2.99Å; S432-D435 PolarHBondContact OG-OD2 2.77Å
433	E	71.1	Confident	76.1	Confident	76 Å²	76	57.8 Å²	57.8	36%	0.355	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27	-176.5	61.9	-82	-173.9	0	0	114.4	H253 L424 Q427 N428 F431	H253-E433 IonicContact CE1-OE1 2.65Å; H253-E433 PolarHBondContact CE1-OE1 2.89Å; L424-E433 HydrophobicContact CD1-CB 4Å; Q427-E433 HydrophobicContact CB-CB 4.47Å; N428-E433 WeakPolarHBondContact OD1-CB 3.24Å; F431-E433 VanDerWaalsContact C-OE2 3.26Å; F431-E433 VanDerWaalsContact CA-OE2 3.32Å; F431-E433 WeakPolarHBondContact CA-OE2 3.38Å
434	A	66.5	Low	76.7	Confident	94 Å²	94	56.4 Å²	56.4	78%	0.777	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.9	179.4	0	0	0	0	0	113.4	S432	S432-A434 VanDerWaalsContact C-N 3.28Å; S432-A434 PolarHBondContact O-N 3.07Å
435	D	69.8	Low	77.3	Confident	81 Å²	81	53.8 Å²	53.8	43%	0.433	30%	0.301	S	S	.	.			trans	-80.8	130.8	-172.1	-69.4	-23.8	0	0	0	111.8	S432 I437	S432-D435 WeakPolarHBondContact CA-OD2 3.27Å; S432-D435 PolarHBondContact O-N 2.99Å; S432-D435 PolarHBondContact OG-OD2 2.77Å; D435-I437 VanDerWaalsContact C-N 3.26Å; D435-I437 PolarHBondContact O-N 3.36Å
436	K	66.1	Low	78.2	Confident	217 Å²	217	55.6 Å²	55.6	94%	0.943	32%	0.316	S	S	*	.	S	Bend	trans	-67.4	-28.3	172.6	-70.5	-174.7	-179.9	180	0	112.8
437	I	74.6	Confident	79	Confident	141 Å²	141	57.2 Å²	57.2	72%	0.723	33%	0.326	S	S	*	.	S	Bend	trans	-124.1	116.4	178.7	-59.9	175.4	0	0	0	107.1	D435	D435-I437 VanDerWaalsContact C-N 3.26Å; D435-I437 PolarHBondContact O-N 3.36Å
438	K	77.1	Confident	79.7	Confident	66 Å²	66	61.9 Å²	61.9	29%	0.287	35%	0.348	S	S	.	.			trans	-82.4	127.6	-178.8	-59.4	-179.7	-172.1	175.4	0	110.4	L417 M420 D421 Q427	L417-K438 HydrophobicContact CD2-CB 4.27Å; M420-K438 HydrophobicContact CE-CB 4.41Å; D421-K438 IonicContact OD1-NZ 3.75Å; D421-K438 PolarHBondContact OD1-NZ 2.98Å; Q427-K438 VanDerWaalsContact NE2-NZ 3.19Å
439	V	80.3	Confident	80.3	Confident	67 Å²	67	63 Å²	63	41%	0.406	35%	0.354	S	S	.	.			trans	-96.3	109.6	175.1	-178.9	0	0	0	0	109.1	V336	V336-V439 HydrophobicContact CG1-CG1 3.48Å; V336-V439 VanDerWaalsContact CG1-CG1 3.48Å
440	A	82.8	Confident	80.6	Confident	27 Å²	27	64.1 Å²	64.1	22%	0.223	36%	0.359	C	S	.	.			trans	-68.3	133	180	0	0	0	0	0	111.7	G415 L417 M420	G415-A440 WeakPolarHBondContact O-CA 3.43Å; L417-A440 HydrophobicContact CD2-CB 4.28Å; L417-A440 HydrophobicContact CG-CB 4.07Å; M420-A440 HydrophobicContact CE-CB 4.3Å
441	Q	84.9	Confident	81.2	Confident	7 Å²	7	64.6 Å²	64.6	3%	0.033	37%	0.369	C	S	.	.			trans	-114	7	176.5	-70.3	-170.3	49.5	0	0	112.7	I332 T333 L337 G415 Y430	I332-Q441 VanDerWaalsContact CG1-C 3.41Å; I332-Q441 PolarHBondContact N-O 3.19Å; T333-Q441 VanDerWaalsContact CG2-OE1 3.3Å; T333-Q441 PolarHBondContact OG1-OE1 3.17Å; L337-Q441 HydrophobicContact CD1-CG 4.29Å; L337-Q441 HydrophobicContact CG-CG 4.38Å; G415-Q441 PolarHBondContact O-N 3.3Å; Y430-Q441 HydrophobicContact CD1-CB 3.83Å; Y430-Q441 HydrophobicContact CD1-CG 4.07Å; Y430-Q441 HydrophobicContact CE1-CB 3.72Å; Y430-Q441 HydrophobicContact CE1-CG 4.43Å
442	G	83.8	Confident	82.1	Confident	6 Å²	6	62.3 Å²	62.3	6%	0.062	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-151.1	171.3	174	0	0	0	0	0	112.8	I330 G415 S416	I330-G442 CarbonylContact O-C 3.52Å; I330-G442 WeakPolarHBondContact O-CA 3.44Å; G415-G442 PolarHBondContact O-N 3.4Å; S416-G442 VanDerWaalsContact CA-O 3.29Å; S416-G442 WeakPolarHBondContact CA-O 3.35Å; S416-G442 WeakPolarHBondContact CB-O 3.39Å
443	V	85.8	Confident	83.3	Confident	66 Å²	66	62 Å²	62	40%	0.4	36%	0.361	S	S	.	.			trans	-118.1	162.7	179.5	-61.3	0	0	0	0	111.6	I330 I332 G413	I330-V443 HydrophobicContact CB-CG2 3.92Å; I330-V443 HydrophobicContact CG2-CG2 4.23Å; I330-V443 PolarHBondContact O-N 3.38Å; I332-V443 HydrophobicContact CD1-CG1 4.28Å; I332-V443 HydrophobicContact CG2-CG1 4.13Å; G413-V443 PolarHBondContact N-O 2.8Å
444	S	86.3	Confident	84.4	Confident	53 Å²	53	61.6 Å²	61.6	37%	0.371	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.8	169.2	-65	0	0	0	0	109.2	R412 S416 D418	R412-S444 WeakPolarHBondContact CB-OG 3.37Å; S416-S444 PolarHBondContact OG-OG 2.86Å; S416-S444 VanDerWaalsContact OG-OG 3.07Å; D418-S444 WeakPolarHBondContact OD2-CB 3.37Å; D418-S444 PolarHBondContact OD2-OG 3.5Å
445	G	88.7	Confident	85.7	Confident	41 Å²	41	64.4 Å²	64.4	42%	0.423	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-160.6	178.2	0	0	0	0	0	112.1	Y411	Y411-G445 PolarHBondContact N-O 3.03Å; Y411-G445 CarbonylContact O-C 3.55Å; Y411-G445 PolarHBondContact O-N 3.39Å; Y411-G445 VanDerWaalsContact O-O 3.07Å
446	A	88.3	Confident	86.9	Confident	51 Å²	51	60.8 Å²	60.8	42%	0.421	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.2	177.6	0	0	0	0	0	110.8	F401 L408 K409	F401-A446 HydrophobicContact CE1-CB 4.36Å; F401-A446 HydrophobicContact CZ-CB 3.73Å; L408-A446 HydrophobicContact CB-CB 4.27Å; L408-A446 HydrophobicContact CD1-CB 4.11Å; K409-A446 CarbonylContact O-C 3.59Å; K409-A446 VanDerWaalsContact O-CA 3.27Å; K409-A446 WeakPolarHBondContact O-CA 3.29Å
447	V	88.9	Confident	88.3	Confident	33 Å²	33	50.5 Å²	50.5	20%	0.2	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.8	178.4	-177.5	0	0	0	0	108.5	A392 L408 K409 Y411	A392-V447 HydrophobicContact CB-CB 3.88Å; A392-V447 HydrophobicContact CB-CG1 4.02Å; A392-V447 VanDerWaalsContact CB-O 3.31Å; A392-V447 WeakPolarHBondContact CB-O 3.28Å; L408-V447 WeakPolarHBondContact CA-O 3.34Å; K409-V447 PolarHBondContact N-O 3.05Å; K409-V447 PolarHBondContact O-N 3.17Å; Y411-V447 HydrophobicContact CD1-CG2 3.76Å; Y411-V447 HydrophobicContact CG-CG2 3.99Å
448	Q	91	Very high	89.3	Confident	123 Å²	123	46.6 Å²	46.6	58%	0.575	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	144.4	177.5	-171.4	175.9	17.5	0	0	111.7	A392 I406 L408 K450	A392-Q448 VanDerWaalsContact CB-O 3.27Å; A392-Q448 WeakPolarHBondContact CB-O 3.38Å; I406-Q448 HydrophobicContact CG2-CG 3.85Å; L408-Q448 HydrophobicContact CD2-CB 4.05Å; Q448-K450 WeakPolarHBondContact O-CG 3.37Å; Q448-K450 PolarHBondContact O-N 2.91Å
449	D	91.1	Very high	90.2	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	27%	0.272	C	S	.	.			trans	-53.1	132.8	174.1	-173.4	15.9	0	0	0	111.4	A392 Y400 R407 G451	A392-D449 WeakPolarHBondContact O-CA 3.49Å; A392-D449 VanDerWaalsContact O-OD1 3.13Å; Y400-D449 HydrophobicContact CD1-CB 4.41Å; Y400-D449 HydrophobicContact CE1-CB 3.67Å; Y400-D449 WeakPolarHBondContact CE1-OD1 3.27Å; Y400-D449 PolarHBondContact OH-OD1 3.23Å; R407-D449 HydrophobicContact CB-CB 4.41Å; R407-D449 HydrophobicContact CG-CB 4.41Å; R407-D449 IonicContact NH1-OD2 3.17Å; R407-D449 PolarHBondContact O-N 3.01Å; D449-G451 PolarHBondContact OD1-N 2.87Å
450	K	90.8	Very high	91.1	Very high	53 Å²	53	43.6 Å²	43.6	23%	0.23	25%	0.253	C	S	.	.			trans	-112.6	5.3	177.8	-58.2	-168.3	-162.5	104.3	0	113.2	S388 L389 A391 A392 T393 Q448	S388-K450 PolarHBondContact O-NZ 2.96Å; L389-K450 WeakPolarHBondContact O-CD 3.34Å; L389-K450 PolarHBondContact O-NZ 2.84Å; A391-K450 PolarHBondContact O-NZ 3.42Å; A392-K450 PolarHBondContact O-N 2.94Å; A392-K450 VanDerWaalsContact O-N 3.12Å; T393-K450 HydrophobicContact CG2-CB 4.25Å; Q448-K450 WeakPolarHBondContact O-CG 3.37Å; Q448-K450 PolarHBondContact O-N 2.91Å
451	G	92.8	Very high	91.8	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	25%	0.247	S	C	.	.			trans	71.6	-156.6	-173.6	0	0	0	0	0	112.5	T393 T394 D449	T393-G451 CarbonylContact C-O 3.52Å; T393-G451 WeakPolarHBondContact CA-O 3.38Å; T393-G451 VanDerWaalsContact CB-O 3.23Å; T393-G451 WeakPolarHBondContact CB-O 3.25Å; T394-G451 PolarHBondContact N-O 3.25Å; D449-G451 PolarHBondContact OD1-N 2.87Å
452	S	95.3	Very high	92.4	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	26%	0.261	C	S	.	.			trans	-85.2	141.7	-173.8	170.2	0	0	0	0	112.6	E395 H454 K455 F456	E395-S452 VanDerWaalsContact OE1-CB 3.29Å; E395-S452 WeakPolarHBondContact OE1-CB 3.44Å; E395-S452 PolarHBondContact OE1-OG 3.46Å; E395-S452 WeakPolarHBondContact OE2-CA 3.34Å; S452-H454 PolarHBondContact O-N 3.06Å; S452-H454 WeakPolarHBondContact OG-CB 3.26Å; S452-H454 PolarHBondContact OG-CD2 3.3Å; S452-H454 VanDerWaalsContact OG-CD2 3.27Å; S452-H454 PolarHBondContact OG-N 3.44Å; S452-H454 VanDerWaalsContact OG-N 3.14Å; S452-K455 PolarHBondContact O-N 3.42Å; S452-K455 VanDerWaalsContact O-N 3.12Å; S452-F456 PolarHBondContact O-N 2.93Å
453	I	94.4	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-22.3	174.2	72.3	173.2	0	0	0	113	M78 A81 M82 T393 E395 K455 F456 V457	M78-I453 HydrophobicContact CE-CG2 4.07Å; M78-I453 HydrophobicContact SD-CD1 3.8Å; M78-I453 HydrophobicContact SD-CG2 4.16Å; A81-I453 HydrophobicContact CB-CD1 3.14Å; A81-I453 HydrophobicContact CB-CG1 3.57Å; M82-I453 HydrophobicContact CG-CD1 4.18Å; M82-I453 HydrophobicContact SD-CD1 4.19Å; T393-I453 HydrophobicContact CG2-CG2 3.66Å; E395-I453 HydrophobicContact CB-CD1 4.48Å; E395-I453 HydrophobicContact CG-CD1 4.43Å; E395-I453 HydrophobicContact CG-CG1 4.1Å; E395-I453 WeakPolarHBondContact OE2-CG2 3.36Å; E395-I453 PolarHBondContact OE2-N 3.03Å; I453-K455 PolarHBondContact O-N 2.9Å; I453-K455 VanDerWaalsContact O-N 3.15Å; I453-F456 PolarHBondContact O-N 3.49Å; I453-V457 HydrophobicContact CB-CG2 4.06Å; I453-V457 WeakPolarHBondContact O-CB 3.5Å; I453-V457 PolarHBondContact O-N 3.4Å
454	H	93.4	Very high	93.7	Very high	68 Å²	68	42.2 Å²	42.2	32%	0.315	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-17.9	176.1	-65	-63.2	0	0	0	113.4	Y233 E395 S452 P458	Y233-H454 AromaticContact CE1-ND1 3.8Å; Y233-H454 AromaticContact CZ-ND1 3.99Å; Y233-H454 PolarHBondContact OH-CE1 3.42Å; Y233-H454 PolarHBondContact OH-ND1 3.34Å; E395-H454 IonicContact OE1-CD2 3.29Å; S452-H454 PolarHBondContact O-N 3.06Å; S452-H454 WeakPolarHBondContact OG-CB 3.26Å; S452-H454 PolarHBondContact OG-CD2 3.3Å; S452-H454 VanDerWaalsContact OG-CD2 3.27Å; S452-H454 PolarHBondContact OG-N 3.44Å; S452-H454 VanDerWaalsContact OG-N 3.14Å; H454-P458 WeakPolarHBondContact O-CG 3.2Å
455	K	94	Very high	94.3	Very high	153 Å²	153	41.6 Å²	41.6	67%	0.665	24%	0.239	S	C	*	.	H	α-helix	trans	-102.1	-40.8	170.1	-64.4	-177.3	179	-177.9	0	111.7	S452 I453 P458 Y459 F514	S452-K455 PolarHBondContact O-N 3.42Å; S452-K455 VanDerWaalsContact O-N 3.12Å; I453-K455 PolarHBondContact O-N 2.9Å; I453-K455 VanDerWaalsContact O-N 3.15Å; K455-P458 WeakPolarHBondContact O-CD 3.49Å; K455-Y459 PolarHBondContact O-N 2.77Å; K455-F514 HydrophobicContact CB-CE2 4.22Å
456	F	94.8	Very high	94.7	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-72.8	-39.8	-172.3	-174.5	-133.2	0	0	0	113.6	L389 L390 S452 I453 Y459 L460 F514	L389-F456 HydrophobicContact CD1-CE1 4.23Å; L389-F456 HydrophobicContact CD1-CZ 3.76Å; L389-F456 HydrophobicContact CD2-CZ 4.39Å; L389-F456 HydrophobicContact CG-CE1 3.81Å; L389-F456 HydrophobicContact CG-CZ 3.78Å; L389-F456 WeakPolarHBondContact O-CE1 3.15Å; L390-F456 HydrophobicContact CD2-CD1 4.37Å; L390-F456 HydrophobicContact CD2-CE1 4.43Å; S452-F456 PolarHBondContact O-N 2.93Å; I453-F456 PolarHBondContact O-N 3.49Å; F456-Y459 AromaticContact CD2-CD1 3.91Å; F456-Y459 HydrophobicContact CD2-CD1 3.91Å; F456-Y459 AromaticContact CE2-CD1 3.86Å; F456-Y459 HydrophobicContact CE2-CD1 3.86Å; F456-Y459 HydrophobicContact CE2-CE1 4.16Å; F456-Y459 WeakPolarHBondContact O-CB 3.46Å; F456-Y459 PolarHBondContact O-N 2.63Å; F456-L460 HydrophobicContact CD1-CD1 4.47Å; F456-L460 HydrophobicContact CE1-CD1 4.17Å; F456-L460 HydrophobicContact CE2-CD2 4.11Å; F456-L460 HydrophobicContact CE2-CG 4.41Å; F456-L460 HydrophobicContact CZ-CD1 4.37Å; F456-L460 HydrophobicContact CZ-CD2 4.07Å; F456-L460 HydrophobicContact CZ-CG 4.39Å; F456-L460 WeakPolarHBondContact O-CG 3.29Å; F456-L460 PolarHBondContact O-N 3.33Å; F456-F514 HydrophobicContact CB-CE1 4.45Å; F456-F514 HydrophobicContact CB-CZ 4.08Å; F456-F514 HydrophobicContact CD2-CD1 4Å; F456-F514 AromaticContact CD2-CE1 3.27Å; F456-F514 HydrophobicContact CD2-CE1 3.27Å; F456-F514 AromaticContact CD2-CZ 3.75Å; F456-F514 HydrophobicContact CD2-CZ 3.75Å; F456-F514 HydrophobicContact CE2-CD1 4.46Å; F456-F514 AromaticContact CE2-CE1 3.82Å; F456-F514 HydrophobicContact CE2-CE1 3.82Å; F456-F514 HydrophobicContact CG-CE1 4.21Å; F456-F514 HydrophobicContact CG-CZ 4.27Å
457	V	95.8	Very high	95.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-44.5	178.4	170.9	0	0	0	0	111.9	L65 M82 T85 I453 Y459 L460 I461	L65-V457 HydrophobicContact CD1-CG1 3.81Å; M82-V457 HydrophobicContact SD-CG2 4.02Å; T85-V457 HydrophobicContact CG2-CB 4.41Å; T85-V457 HydrophobicContact CG2-CG1 4.33Å; I453-V457 HydrophobicContact CB-CG2 4.06Å; I453-V457 WeakPolarHBondContact O-CB 3.5Å; I453-V457 PolarHBondContact O-N 3.4Å; V457-Y459 VanDerWaalsContact C-N 3.25Å; V457-Y459 PolarHBondContact O-N 3.37Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.36Å; V457-I461 HydrophobicContact CG1-CD1 3.79Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CG1 3.42Å; V457-I461 PolarHBondContact O-N 3.37Å
458	P	95.4	Very high	95.7	Very high	59 Å²	59	42 Å²	42	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-53.6	-39.3	170	-30.9	37.4	0	0	0	114.1	H454 K455 I461 A462	H454-P458 WeakPolarHBondContact O-CG 3.2Å; K455-P458 WeakPolarHBondContact O-CD 3.49Å; P458-I461 PolarHBondContact O-N 3.16Å; P458-A462 WeakPolarHBondContact O-CB 3.45Å; P458-A462 PolarHBondContact O-N 3.11Å
459	Y	96.5	Very high	96	Very high	69 Å²	69	37.8 Å²	37.8	27%	0.271	20%	0.203	S	C	.	.	H	α-helix	trans	-60.8	-45.7	172.7	161.6	-98.3	0	0	0	112.1	V370 K455 F456 V457 I461 A462 G463 L513 F514	V370-Y459 HydrophobicContact CG2-CE1 3.92Å; K455-Y459 PolarHBondContact O-N 2.77Å; F456-Y459 AromaticContact CD2-CD1 3.91Å; F456-Y459 HydrophobicContact CD2-CD1 3.91Å; F456-Y459 AromaticContact CE2-CD1 3.86Å; F456-Y459 HydrophobicContact CE2-CD1 3.86Å; F456-Y459 HydrophobicContact CE2-CE1 4.16Å; F456-Y459 WeakPolarHBondContact O-CB 3.46Å; F456-Y459 PolarHBondContact O-N 2.63Å; V457-Y459 VanDerWaalsContact C-N 3.25Å; V457-Y459 PolarHBondContact O-N 3.37Å; Y459-I461 PolarHBondContact O-N 2.94Å; Y459-A462 PolarHBondContact O-N 3.21Å; Y459-G463 PolarHBondContact O-N 3.29Å; Y459-L513 HydrophobicContact CE1-CB 4.32Å; Y459-L513 WeakPolarHBondContact CE2-O 3.46Å; Y459-F514 HydrophobicContact CD1-CD1 4.04Å; Y459-F514 HydrophobicContact CD2-CB 3.85Å; Y459-F514 HydrophobicContact CD2-CD1 4.42Å; Y459-F514 HydrophobicContact CD2-CG 4.49Å; Y459-F514 HydrophobicContact CE1-CD1 4.48Å; Y459-F514 HydrophobicContact CE2-CB 4.45Å; Y459-F514 HydrophobicContact CG-CB 4.09Å; Y459-F514 HydrophobicContact CG-CD1 4Å; Y459-F514 HydrophobicContact CG-CG 4.27Å
460	L	97.4	Very high	96.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-43	176.8	-62.3	179.5	0	0	0	111.7	L65 V370 I373 M386 L389 F456 V457 G463 I464	L65-L460 HydrophobicContact CD1-CB 4.13Å; L65-L460 HydrophobicContact CD1-CD1 4.47Å; V370-L460 HydrophobicContact CG2-CD2 3.57Å; I373-L460 HydrophobicContact CD1-CD1 4.43Å; I373-L460 HydrophobicContact CD1-CD2 4.34Å; M386-L460 HydrophobicContact CE-CD1 4.38Å; M386-L460 HydrophobicContact SD-CD1 4.24Å; L389-L460 HydrophobicContact CD2-CD1 4Å; L389-L460 HydrophobicContact CD2-CD2 4.1Å; F456-L460 HydrophobicContact CD1-CD1 4.47Å; F456-L460 HydrophobicContact CE1-CD1 4.17Å; F456-L460 HydrophobicContact CE2-CD2 4.11Å; F456-L460 HydrophobicContact CE2-CG 4.41Å; F456-L460 HydrophobicContact CZ-CD1 4.37Å; F456-L460 HydrophobicContact CZ-CD2 4.07Å; F456-L460 HydrophobicContact CZ-CG 4.39Å; F456-L460 WeakPolarHBondContact O-CG 3.29Å; F456-L460 PolarHBondContact O-N 3.33Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.36Å; L460-G463 PolarHBondContact O-N 2.87Å; L460-I464 WeakPolarHBondContact O-CD1 3.19Å; L460-I464 WeakPolarHBondContact O-CG1 3.41Å; L460-I464 PolarHBondContact O-N 3.5Å
461	I	97.8	Very high	96.7	Very high	20 Å²	20	37.8 Å²	37.8	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-53.7	177.3	-69.1	163.9	0	0	0	110.2	L51 T63 L65 V457 P458 Y459 G463 I464 Q465	L51-I461 HydrophobicContact CD1-CG2 3.94Å; T63-I461 HydrophobicContact CG2-CD1 3.62Å; T63-I461 HydrophobicContact CG2-CG1 3.84Å; L65-I461 HydrophobicContact CD1-CG1 4.12Å; V457-I461 HydrophobicContact CG1-CD1 3.79Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CG1 3.42Å; V457-I461 PolarHBondContact O-N 3.37Å; P458-I461 PolarHBondContact O-N 3.16Å; Y459-I461 PolarHBondContact O-N 2.94Å; I461-G463 VanDerWaalsContact C-N 3.3Å; I461-G463 PolarHBondContact O-N 3.4Å; I461-I464 PolarHBondContact O-N 3.1Å; I461-I464 VanDerWaalsContact O-N 3.14Å; I461-Q465 WeakPolarHBondContact O-CG 3.04Å; I461-Q465 PolarHBondContact O-N 3.33Å
462	A	98	Very high	97	Very high	39 Å²	39	37 Å²	37	32%	0.322	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-43.1	179.1	0	0	0	0	0	111.3	P458 Y459 I464 Q465 H466	P458-A462 WeakPolarHBondContact O-CB 3.45Å; P458-A462 PolarHBondContact O-N 3.11Å; Y459-A462 PolarHBondContact O-N 3.21Å; A462-I464 VanDerWaalsContact C-N 3.34Å; A462-I464 PolarHBondContact O-N 3.07Å; A462-Q465 WeakPolarHBondContact O-CB 3.36Å; A462-Q465 PolarHBondContact O-N 3.03Å; A462-H466 PolarHBondContact O-CD2 3.33Å; A462-H466 PolarHBondContact O-N 3.33Å
463	G	98	Very high	97.1	Very high	18 Å²	18	35.7 Å²	35.7	19%	0.186	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-37.8	176.9	0	0	0	0	0	113.7	Y459 L460 I461 S467	Y459-G463 PolarHBondContact O-N 3.29Å; L460-G463 PolarHBondContact O-N 2.87Å; I461-G463 VanDerWaalsContact C-N 3.3Å; I461-G463 PolarHBondContact O-N 3.4Å; G463-S467 WeakPolarHBondContact O-CB 3.29Å; G463-S467 PolarHBondContact O-N 3.3Å
464	I	98.4	Very high	97.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.2	-40.7	175.1	-63.1	158.5	0	0	0	110.5	L51 P64 L65 V370 I373 L377 L460 I461 A462 S467 C468 L476	L51-I464 HydrophobicContact CD1-CB 4.1Å; L51-I464 HydrophobicContact CD1-CG2 4.04Å; L51-I464 HydrophobicContact CD2-CB 4.49Å; L51-I464 HydrophobicContact CD2-CG2 3.69Å; P64-I464 HydrophobicContact CG-CD1 4.35Å; L65-I464 HydrophobicContact CD2-CD1 3.96Å; V370-I464 HydrophobicContact CG1-CG1 4.34Å; I373-I464 HydrophobicContact CG2-CD1 3.6Å; I373-I464 HydrophobicContact CG2-CG1 3.91Å; L377-I464 HydrophobicContact CD1-CG2 4.14Å; L460-I464 WeakPolarHBondContact O-CD1 3.19Å; L460-I464 WeakPolarHBondContact O-CG1 3.41Å; L460-I464 PolarHBondContact O-N 3.5Å; I461-I464 PolarHBondContact O-N 3.1Å; I461-I464 VanDerWaalsContact O-N 3.14Å; A462-I464 VanDerWaalsContact C-N 3.34Å; A462-I464 PolarHBondContact O-N 3.07Å; I464-S467 PolarHBondContact O-N 3.04Å; I464-C468 PolarHBondContact O-N 2.89Å; I464-C468 PolarHBondContact O-SG 3.08Å; I464-L476 HydrophobicContact CG2-CD2 4.37Å
465	Q	98.6	Very high	97.6	Very high	39 Å²	39	37.7 Å²	37.7	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-47.4	176.1	-73.3	-178.1	-52.4	0	0	111.7	A46 V49 L51 I461 A462 S467 C468 Q469	A46-Q465 HydrophobicContact CB-CB 4.3Å; A46-Q465 WeakPolarHBondContact O-CB 3.44Å; V49-Q465 HydrophobicContact CB-CB 4.24Å; V49-Q465 HydrophobicContact CB-CG 4.11Å; V49-Q465 HydrophobicContact CG1-CG 4.46Å; V49-Q465 PolarHBondContact O-NE2 3.25Å; V49-Q465 VanDerWaalsContact O-NE2 3.08Å; L51-Q465 HydrophobicContact CD1-CG 3.92Å; L51-Q465 HydrophobicContact CD2-CG 4.11Å; L51-Q465 HydrophobicContact CG-CG 3.94Å; I461-Q465 WeakPolarHBondContact O-CG 3.04Å; I461-Q465 PolarHBondContact O-N 3.33Å; A462-Q465 WeakPolarHBondContact O-CB 3.36Å; A462-Q465 PolarHBondContact O-N 3.03Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.83Å; Q465-C468 PolarHBondContact O-N 3.01Å; Q465-Q469 WeakPolarHBondContact O-CB 3.3Å; Q465-Q469 PolarHBondContact O-N 3.37Å
466	H	98.6	Very high	97.8	Very high	101 Å²	101	30.5 Å²	30.5	47%	0.468	17%	0.168	S	C	.	.	H	α-helix	trans	-58.6	-44.2	173	-79.6	-68.6	0	0	0	111.8	A462 C468 Q469 D470	A462-H466 PolarHBondContact O-CD2 3.33Å; A462-H466 PolarHBondContact O-N 3.33Å; H466-C468 VanDerWaalsContact C-N 3.32Å; H466-C468 PolarHBondContact O-N 3.37Å; H466-Q469 WeakPolarHBondContact O-CB 3.41Å; H466-Q469 PolarHBondContact O-N 3.26Å; H466-Q469 VanDerWaalsContact O-N 3.17Å; H466-D470 PolarHBondContact O-N 3.35Å
467	S	98.4	Very high	97.9	Very high	29 Å²	29	34.5 Å²	34.5	20%	0.203	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-38.3	176.6	-175	0	0	0	0	112.9	A374 G463 I464 Q465 I471	A374-S467 VanDerWaalsContact CB-OG 3.22Å; A374-S467 WeakPolarHBondContact CB-OG 3.43Å; G463-S467 WeakPolarHBondContact O-CB 3.29Å; G463-S467 PolarHBondContact O-N 3.3Å; I464-S467 PolarHBondContact O-N 3.04Å; Q465-S467 VanDerWaalsContact C-N 3.33Å; Q465-S467 PolarHBondContact O-N 2.83Å; S467-I471 VanDerWaalsContact O-CD1 3.31Å; S467-I471 WeakPolarHBondContact O-CD1 3.38Å; S467-I471 WeakPolarHBondContact O-CG1 3.44Å; S467-I471 PolarHBondContact O-N 3.42Å; S467-I471 VanDerWaalsContact O-N 3.17Å
468	C	98.6	Very high	98	Very high	4 Å²	4	38 Å²	38	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-36.3	176	-64.5	0	0	0	0	111.6	V49 I464 Q465 H466 I471 G472 A473	V49-C468 HydrophobicContact CG1-CB 3.57Å; V49-C468 HydrophobicContact CG2-CB 4.18Å; I464-C468 PolarHBondContact O-N 2.89Å; I464-C468 PolarHBondContact O-SG 3.08Å; Q465-C468 PolarHBondContact O-N 3.01Å; H466-C468 VanDerWaalsContact C-N 3.32Å; H466-C468 PolarHBondContact O-N 3.37Å; C468-I471 PolarHBondContact O-N 3.26Å; C468-G472 PolarHBondContact O-N 3.31Å; C468-G472 VanDerWaalsContact O-N 3.09Å; C468-A473 CarbonylContact C-O 3.47Å; C468-A473 PolarHBondContact O-N 2.74Å
469	Q	98.6	Very high	98.2	Very high	34 Å²	34	35.3 Å²	35.3	16%	0.159	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-50.6	173.8	-171	-169	20.2	0	0	110.7	I42 F44 A46 Q465 H466 I471 G472	I42-Q469 HydrophobicContact CD1-CG 4.43Å; I42-Q469 WeakPolarHBondContact CD1-O 3.41Å; I42-Q469 VanDerWaalsContact CG1-O 3.22Å; I42-Q469 WeakPolarHBondContact CG1-O 3.45Å; I42-Q469 HydrophobicContact CG2-CG 3.69Å; F44-Q469 HydrophobicContact CD2-CG 4.35Å; F44-Q469 HydrophobicContact CE2-CB 4.05Å; F44-Q469 HydrophobicContact CE2-CG 3.91Å; F44-Q469 HydrophobicContact CZ-CG 4.37Å; F44-Q469 PolarHBondContact O-NE2 2.97Å; A46-Q469 HydrophobicContact CB-CB 4.33Å; Q465-Q469 WeakPolarHBondContact O-CB 3.3Å; Q465-Q469 PolarHBondContact O-N 3.37Å; H466-Q469 WeakPolarHBondContact O-CB 3.41Å; H466-Q469 PolarHBondContact O-N 3.26Å; H466-Q469 VanDerWaalsContact O-N 3.17Å; Q469-I471 PolarHBondContact O-N 3.3Å; Q469-G472 WeakPolarHBondContact O-CA 3.31Å; Q469-G472 PolarHBondContact O-N 2.58Å
470	D	98.5	Very high	98.2	Very high	89 Å²	89	33.4 Å²	33.4	48%	0.476	18%	0.184	S	C	.	.	H	α-helix	trans	-61.4	-32.3	178.9	-68.4	-19	0	0	0	112.5	P39 G40 H466 G472	P39-D470 VanDerWaalsContact CA-O 3.3Å; P39-D470 WeakPolarHBondContact CA-O 3.22Å; P39-D470 WeakPolarHBondContact CB-O 3.4Å; G40-D470 PolarHBondContact N-O 3.4Å; H466-D470 PolarHBondContact O-N 3.35Å; D470-G472 VanDerWaalsContact C-N 3.25Å; D470-G472 PolarHBondContact O-N 2.73Å
471	I	98.3	Very high	98.2	Very high	9 Å²	9	36 Å²	36	5%	0.046	21%	0.206	C	C	.	.	H	α-helix	trans	-70.2	-21.6	172	-70.8	167	0	0	0	112.1	I37 G40 S467 C468 Q469 A473 V479 L488	I37-I471 HydrophobicContact CD1-CD1 3.92Å; I37-I471 HydrophobicContact CG2-CD1 3.95Å; I37-I471 HydrophobicContact CG2-CG1 3.79Å; G40-I471 WeakPolarHBondContact CA-O 3.29Å; G40-I471 PolarHBondContact N-O 3.32Å; S467-I471 VanDerWaalsContact O-CD1 3.31Å; S467-I471 WeakPolarHBondContact O-CD1 3.38Å; S467-I471 WeakPolarHBondContact O-CG1 3.44Å; S467-I471 PolarHBondContact O-N 3.42Å; S467-I471 VanDerWaalsContact O-N 3.17Å; C468-I471 PolarHBondContact O-N 3.26Å; Q469-I471 PolarHBondContact O-N 3.3Å; I471-A473 HydrophobicContact CG2-CB 4.28Å; I471-V479 HydrophobicContact CG2-CG2 4.48Å; I471-L488 HydrophobicContact CG2-CD1 3.57Å
472	G	97.9	Very high	98.2	Very high	11 Å²	11	35.9 Å²	35.9	11%	0.113	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	22	-175.9	0	0	0	0	0	114.5	Y41 C468 Q469 D470	Y41-G472 WeakPolarHBondContact O-CA 3.46Å; C468-G472 PolarHBondContact O-N 3.31Å; C468-G472 VanDerWaalsContact O-N 3.09Å; Q469-G472 WeakPolarHBondContact O-CA 3.31Å; Q469-G472 PolarHBondContact O-N 2.58Å; D470-G472 VanDerWaalsContact C-N 3.25Å; D470-G472 PolarHBondContact O-N 2.73Å
473	A	98.3	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.			trans	-115.4	127.7	-177.6	0	0	0	0	0	113.3	F44 C468 I471 S475 Q478 V479 M482	F44-A473 VanDerWaalsContact CZ-C 3.44Å; F44-A473 WeakPolarHBondContact CZ-O 3.44Å; C468-A473 CarbonylContact C-O 3.47Å; C468-A473 PolarHBondContact O-N 2.74Å; I471-A473 HydrophobicContact CG2-CB 4.28Å; A473-S475 VanDerWaalsContact C-N 3.29Å; A473-S475 PolarHBondContact O-N 2.98Å; A473-Q478 HydrophobicContact CB-CB 4.2Å; A473-Q478 HydrophobicContact CB-CG 4.12Å; A473-V479 HydrophobicContact CB-CB 4.39Å; A473-V479 HydrophobicContact CB-CG2 3.38Å; A473-M482 HydrophobicContact CB-SD 4.03Å
474	K	98.4	Very high	98.2	Very high	83 Å²	83	36.9 Å²	36.9	36%	0.361	20%	0.196	S	C	.	.	S	Bend	trans	-79.7	-5.3	178.4	-62.3	-175.5	-175.8	-178.1	0	113.7	D43 F44 V49 D50	D43-K474 WeakPolarHBondContact OD1-CE 3.38Å; D43-K474 IonicContact OD1-NZ 3.05Å; D43-K474 PolarHBondContact OD1-NZ 2.8Å; D43-K474 IonicContact OD2-NZ 2.88Å; F44-K474 HydrophobicContact CB-CD 4.44Å; F44-K474 HydrophobicContact CD1-CD 4.13Å; F44-K474 HydrophobicContact CD1-CG 3.67Å; F44-K474 HydrophobicContact CD2-CG 3.95Å; F44-K474 HydrophobicContact CE1-CG 3.74Å; F44-K474 HydrophobicContact CE2-CG 4.04Å; F44-K474 HydrophobicContact CG-CD 4.19Å; F44-K474 HydrophobicContact CG-CG 3.78Å; F44-K474 HydrophobicContact CZ-CG 3.94Å; V49-K474 WeakPolarHBondContact CA-O 3.19Å; D50-K474 PolarHBondContact N-O 3.36Å
475	S	98.5	Very high	98.1	Very high	27 Å²	27	40.8 Å²	40.8	19%	0.189	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-157.6	158.5	174.3	67.2	0	0	0	0	112.6	D50 A473 T477 Q478 V479	D50-S475 VanDerWaalsContact O-CA 3.26Å; D50-S475 WeakPolarHBondContact O-CA 3.48Å; A473-S475 VanDerWaalsContact C-N 3.29Å; A473-S475 PolarHBondContact O-N 2.98Å; S475-T477 PolarHBondContact O-N 2.68Å; S475-Q478 WeakPolarHBondContact O-CB 3.46Å; S475-Q478 PolarHBondContact O-N 2.94Å; S475-Q478 PolarHBondContact OG-N 2.65Å; S475-Q478 VanDerWaalsContact OG-N 3.1Å; S475-V479 PolarHBondContact O-N 2.91Å
476	L	98.3	Very high	97.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-27.6	172.8	-68.7	174.1	0	0	0	112.9	D50 L51 S53 P64 L377 I464 R480	D50-L476 PolarHBondContact O-N 3.05Å; L51-L476 HydrophobicContact CB-CD1 4.22Å; L51-L476 HydrophobicContact CD2-CD1 4.08Å; L51-L476 HydrophobicContact CD2-CD2 4.41Å; L51-L476 HydrophobicContact CD2-CG 4Å; S53-L476 VanDerWaalsContact OG-CD1 3.23Å; S53-L476 WeakPolarHBondContact OG-CD1 3.4Å; P64-L476 HydrophobicContact CB-CD1 4.13Å; P64-L476 HydrophobicContact CG-CD1 3.82Å; L377-L476 HydrophobicContact CB-CD2 4.11Å; L377-L476 HydrophobicContact CD1-CD1 4.1Å; L377-L476 HydrophobicContact CD1-CD2 3.91Å; I464-L476 HydrophobicContact CG2-CD2 4.37Å; L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 VanDerWaalsContact O-CZ 3.28Å; L476-R480 PolarHBondContact O-N 3.23Å; L476-R480 VanDerWaalsContact O-N 3.14Å; L476-R480 PolarHBondContact O-NE 3.23Å; L476-R480 PolarHBondContact O-NH2 2.82Å
477	T	97.6	Very high	97.8	Very high	88 Å²	88	40.9 Å²	40.9	54%	0.54	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-41.8	173	-64	0	0	0	0	111.1	S475 R480 A481	S475-T477 PolarHBondContact O-N 2.68Å; T477-R480 PolarHBondContact O-N 3.01Å; T477-R480 PolarHBondContact OG1-NH2 3.15Å; T477-A481 WeakPolarHBondContact O-CB 3.47Å; T477-A481 PolarHBondContact O-N 2.86Å
478	Q	98.4	Very high	97.7	Very high	73 Å²	73	39.8 Å²	39.8	34%	0.341	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-44.4	174.6	-173.9	-178.6	4.9	0	0	111.4	A473 S475 R480 A481 M482	A473-Q478 HydrophobicContact CB-CB 4.2Å; A473-Q478 HydrophobicContact CB-CG 4.12Å; S475-Q478 WeakPolarHBondContact O-CB 3.46Å; S475-Q478 PolarHBondContact O-N 2.94Å; S475-Q478 PolarHBondContact OG-N 2.65Å; S475-Q478 VanDerWaalsContact OG-N 3.1Å; Q478-R480 VanDerWaalsContact C-N 3.31Å; Q478-R480 PolarHBondContact O-N 3.25Å; Q478-A481 PolarHBondContact O-N 3.17Å; Q478-A481 VanDerWaalsContact O-N 3.1Å; Q478-M482 HydrophobicContact CG-CG 4.25Å; Q478-M482 HydrophobicContact CG-SD 3.9Å; Q478-M482 WeakPolarHBondContact O-CG 3.49Å; Q478-M482 PolarHBondContact O-N 3.17Å
479	V	98.4	Very high	97.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-53.5	-49.4	175.9	178	0	0	0	0	111	A378 I471 A473 S475 A481 M482 M483 L488	A378-V479 HydrophobicContact CB-CG1 3.77Å; I471-V479 HydrophobicContact CG2-CG2 4.48Å; A473-V479 HydrophobicContact CB-CB 4.39Å; A473-V479 HydrophobicContact CB-CG2 3.38Å; S475-V479 PolarHBondContact O-N 2.91Å; V479-A481 PolarHBondContact O-N 3.14Å; V479-M482 PolarHBondContact O-N 3.17Å; V479-M483 WeakPolarHBondContact O-CB 3.42Å; V479-M483 PolarHBondContact O-N 2.78Å; V479-L488 HydrophobicContact CG1-CD2 4.17Å
480	R	97.5	Very high	97.7	Very high	30 Å²	30	39.6 Å²	39.6	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178.8	-70.5	-177.9	-69.1	-95.6	-4.8	112.3	A381 L476 T477 Q478 M483 Y484	A381-R480 PolarHBondContact O-NH1 3.2Å; L476-R480 WeakPolarHBondContact O-CG 3.45Å; L476-R480 VanDerWaalsContact O-CZ 3.28Å; L476-R480 PolarHBondContact O-N 3.23Å; L476-R480 VanDerWaalsContact O-N 3.14Å; L476-R480 PolarHBondContact O-NE 3.23Å; L476-R480 PolarHBondContact O-NH2 2.82Å; T477-R480 PolarHBondContact O-N 3.01Å; T477-R480 PolarHBondContact OG1-NH2 3.15Å; Q478-R480 VanDerWaalsContact C-N 3.31Å; Q478-R480 PolarHBondContact O-N 3.25Å; R480-M483 PolarHBondContact O-N 3.1Å; R480-Y484 HydrophobicContact CB-CE2 4.24Å; R480-Y484 WeakPolarHBondContact O-CD2 3.41Å; R480-Y484 PolarHBondContact O-N 3.42Å
481	A	97.5	Very high	97.6	Very high	56 Å²	56	39 Å²	39	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-63.5	-45.9	177.1	0	0	0	0	0	111.8	T477 Q478 V479 M483 Y484 S485	T477-A481 WeakPolarHBondContact O-CB 3.47Å; T477-A481 PolarHBondContact O-N 2.86Å; Q478-A481 PolarHBondContact O-N 3.17Å; Q478-A481 VanDerWaalsContact O-N 3.1Å; V479-A481 PolarHBondContact O-N 3.14Å; A481-M483 VanDerWaalsContact C-N 3.3Å; A481-M483 PolarHBondContact O-N 3.14Å; A481-Y484 PolarHBondContact O-N 3.44Å; A481-S485 PolarHBondContact O-N 3.23Å; A481-S485 PolarHBondContact O-OG 3.37Å
482	M	98	Very high	97.6	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-37.8	175	-66.9	168.4	70.5	0	0	111.8	A473 Q478 V479 S485 G486 E487 L488	A473-M482 HydrophobicContact CB-SD 4.03Å; Q478-M482 HydrophobicContact CG-CG 4.25Å; Q478-M482 HydrophobicContact CG-SD 3.9Å; Q478-M482 WeakPolarHBondContact O-CG 3.49Å; Q478-M482 PolarHBondContact O-N 3.17Å; V479-M482 PolarHBondContact O-N 3.17Å; M482-S485 WeakPolarHBondContact CA-OG 3.49Å; M482-S485 PolarHBondContact O-OG 2.91Å; M482-G486 PolarHBondContact O-N 2.95Å; M482-E487 HydrophobicContact CB-CB 4.35Å; M482-E487 HydrophobicContact CE-CG 4.32Å; M482-E487 PolarHBondContact O-N 3.49Å; M482-E487 VanDerWaalsContact O-N 3.07Å; M482-L488 HydrophobicContact CB-CB 3.98Å; M482-L488 PolarHBondContact O-N 3.35Å
483	M	98.1	Very high	97.5	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-45.6	174	-176.1	-86	-65.2	0	0	112	A20 Y348 A378 V479 R480 A481 G486 L488 F490	A20-M483 HydrophobicContact CB-CG 3.88Å; A20-M483 HydrophobicContact CB-SD 3.75Å; Y348-M483 HydrophobicContact CD2-SD 4.28Å; Y348-M483 HydrophobicContact CE2-SD 3.81Å; A378-M483 WeakPolarHBondContact O-CG 3.43Å; V479-M483 WeakPolarHBondContact O-CB 3.42Å; V479-M483 PolarHBondContact O-N 2.78Å; R480-M483 PolarHBondContact O-N 3.1Å; A481-M483 VanDerWaalsContact C-N 3.3Å; A481-M483 PolarHBondContact O-N 3.14Å; M483-G486 PolarHBondContact O-N 3.22Å; M483-L488 HydrophobicContact CB-CB 4.4Å; M483-L488 HydrophobicContact CB-CD2 4.11Å; M483-F490 HydrophobicContact CG-CE2 4.07Å; M483-F490 HydrophobicContact CG-CZ 3.9Å
484	Y	96.4	Very high	97.5	Very high	72 Å²	72	48.3 Å²	48.3	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-72.3	-27.4	179.6	-66.7	-48.6	0	0	0	113.9	R480 A481 G486	R480-Y484 HydrophobicContact CB-CE2 4.24Å; R480-Y484 WeakPolarHBondContact O-CD2 3.41Å; R480-Y484 PolarHBondContact O-N 3.42Å; A481-Y484 PolarHBondContact O-N 3.44Å; Y484-G486 VanDerWaalsContact C-N 3.3Å
485	S	96.4	Very high	97.3	Very high	83 Å²	83	49 Å²	49	58%	0.58	27%	0.272	S	S	*	.	H	α-helix	trans	-76.2	-18.6	173.7	67.3	0	0	0	0	112.9	A481 M482 E487	A481-S485 PolarHBondContact O-N 3.23Å; A481-S485 PolarHBondContact O-OG 3.37Å; M482-S485 WeakPolarHBondContact CA-OG 3.49Å; M482-S485 PolarHBondContact O-OG 2.91Å; S485-E487 VanDerWaalsContact C-N 3.31Å; S485-E487 WeakPolarHBondContact OG-CB 3.46Å; S485-E487 PolarHBondContact OG-N 3.05Å
486	G	95.8	Very high	97.3	Very high	16 Å²	16	52.1 Å²	52.1	17%	0.165	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	7.8	-173.5	0	0	0	0	0	114	M482 M483 Y484 K489	M482-G486 PolarHBondContact O-N 2.95Å; M483-G486 PolarHBondContact O-N 3.22Å; Y484-G486 VanDerWaalsContact C-N 3.3Å; G486-K489 WeakPolarHBondContact O-CE 3.33Å; G486-K489 PolarHBondContact O-NZ 3.26Å
487	E	95.5	Very high	97.3	Very high	127 Å²	127	53.3 Å²	53.3	59%	0.593	30%	0.304	S	S	*	.			trans	-69.4	-41.1	172.3	-176.9	-176.6	167.7	0	0	111.1	M482 S485 K489	M482-E487 HydrophobicContact CB-CB 4.35Å; M482-E487 HydrophobicContact CE-CG 4.32Å; M482-E487 PolarHBondContact O-N 3.49Å; M482-E487 VanDerWaalsContact O-N 3.07Å; S485-E487 VanDerWaalsContact C-N 3.31Å; S485-E487 WeakPolarHBondContact OG-CB 3.46Å; S485-E487 PolarHBondContact OG-N 3.05Å; E487-K489 PolarHBondContact O-N 3.28Å
488	L	97.1	Very high	97.2	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	29%	0.29	C	S	.	.	S	Bend	trans	-72.9	121.2	173.6	-172.1	63	0	0	0	109.9	I37 A378 I471 V479 M482 M483 F490	I37-L488 HydrophobicContact CG2-CD1 3.57Å; I37-L488 HydrophobicContact CG2-CD2 4.11Å; I37-L488 HydrophobicContact CG2-CG 4.01Å; A378-L488 HydrophobicContact CB-CD2 4.34Å; I471-L488 HydrophobicContact CG2-CD1 3.57Å; V479-L488 HydrophobicContact CG1-CD2 4.17Å; M482-L488 HydrophobicContact CB-CB 3.98Å; M482-L488 PolarHBondContact O-N 3.35Å; M483-L488 HydrophobicContact CB-CB 4.4Å; M483-L488 HydrophobicContact CB-CD2 4.11Å; L488-F490 HydrophobicContact CB-CE2 4.45Å; L488-F490 HydrophobicContact CD2-CE1 4.43Å; L488-F490 HydrophobicContact CD2-CE2 4.25Å; L488-F490 HydrophobicContact CD2-CZ 3.76Å; L488-F490 HydrophobicContact CG-CE2 4.1Å; L488-F490 HydrophobicContact CG-CZ 4.06Å; L488-F490 WeakPolarHBondContact O-CE2 3.29Å
489	K	97.9	Very high	97.1	Very high	34 Å²	34	53 Å²	53	15%	0.148	30%	0.303	C	S	.	.			trans	-103	153.6	179.9	-56.4	-62.1	-171.6	170.3	0	111.7	D15 L18 T19 L38 G486 E487	D15-K489 WeakPolarHBondContact OD1-CE 3.1Å; D15-K489 IonicContact OD1-NZ 2.6Å; D15-K489 PolarHBondContact OD1-NZ 2.98Å; D15-K489 IonicContact OD2-NZ 2.86Å; L18-K489 CarbonylContact O-C 3.43Å; L18-K489 WeakPolarHBondContact O-CA 3.27Å; T19-K489 HydrophobicContact CG2-CD 4.38Å; L38-K489 HydrophobicContact CB-CB 4.21Å; L38-K489 HydrophobicContact CD1-CB 3.8Å; L38-K489 HydrophobicContact CG-CB 4.26Å; L38-K489 PolarHBondContact N-O 2.93Å; G486-K489 WeakPolarHBondContact O-CE 3.33Å; G486-K489 PolarHBondContact O-NZ 3.26Å; E487-K489 PolarHBondContact O-N 3.28Å
490	F	98.3	Very high	97	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.9	-177.2	-58.3	-96.5	0	0	0	109.4	L18 A20 L23 F35 L36 I37 L379 M483 L488	L18-F490 WeakPolarHBondContact CB-O 3.32Å; L18-F490 PolarHBondContact N-O 3.15Å; L18-F490 PolarHBondContact O-N 3.34Å; A20-F490 HydrophobicContact CB-CD2 4.27Å; A20-F490 HydrophobicContact CB-CE2 3.78Å; A20-F490 HydrophobicContact CB-CZ 4.36Å; L23-F490 HydrophobicContact CD2-CB 3.78Å; L23-F490 HydrophobicContact CD2-CD1 4.49Å; L23-F490 HydrophobicContact CD2-CG 4.19Å; F35-F490 AromaticContact CD2-CD1 3.75Å; F35-F490 HydrophobicContact CD2-CD1 3.75Å; F35-F490 HydrophobicContact CD2-CE1 4.49Å; F35-F490 AromaticContact CE2-CD1 3.78Å; F35-F490 HydrophobicContact CE2-CD1 3.78Å; F35-F490 HydrophobicContact CE2-CE1 4.07Å; L36-F490 WeakPolarHBondContact O-CA 3.3Å; L36-F490 WeakPolarHBondContact O-CB 3.17Å; I37-F490 HydrophobicContact CG1-CD1 3.98Å; I37-F490 HydrophobicContact CG1-CE1 3.83Å; L379-F490 HydrophobicContact CD2-CE1 4.06Å; L379-F490 HydrophobicContact CD2-CZ 4.25Å; M483-F490 HydrophobicContact CG-CE2 4.07Å; M483-F490 HydrophobicContact CG-CZ 3.9Å; L488-F490 HydrophobicContact CB-CE2 4.45Å; L488-F490 HydrophobicContact CD2-CE1 4.43Å; L488-F490 HydrophobicContact CD2-CE2 4.25Å; L488-F490 HydrophobicContact CD2-CZ 3.76Å; L488-F490 HydrophobicContact CG-CE2 4.1Å; L488-F490 HydrophobicContact CG-CZ 4.06Å; L488-F490 WeakPolarHBondContact O-CE2 3.29Å
491	E	97.6	Very high	96.9	Very high	77 Å²	77	60.6 Å²	60.6	36%	0.36	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.5	176.5	-171.1	53	-102.8	0	0	110.6	F35 L36 L38	F35-E491 CarbonylContact C-O 3.58Å; F35-E491 WeakPolarHBondContact CA-O 3.32Å; F35-E491 VanDerWaalsContact CB-O 3.28Å; F35-E491 WeakPolarHBondContact CB-O 3.48Å; L36-E491 PolarHBondContact N-O 2.91Å; L36-E491 PolarHBondContact O-N 2.9Å; L38-E491 HydrophobicContact CD2-CB 4.01Å
492	K	96.9	Very high	96.7	Very high	88 Å²	88	60 Å²	60	38%	0.383	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.9	179.2	-169.5	-179.4	175.1	-171	0	109.3	L23 D28 D34	L23-K492 HydrophobicContact CD1-CB 4.05Å; D28-K492 IonicContact OD2-NZ 2.74Å; D28-K492 PolarHBondContact OD2-NZ 3.01Å; D34-K492 WeakPolarHBondContact O-CG 3.21Å
493	R	97	Very high	96.4	Very high	34 Å²	34	63.1 Å²	63.1	13%	0.128	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-103.1	128.2	178.2	-60	175.2	83.5	-167.5	6.4	110.5	N33 D34 L36 A497 Q498 G501	N33-R493 WeakPolarHBondContact O-CD 3.32Å; N33-R493 PolarHBondContact O-NH1 3Å; D34-R493 PolarHBondContact O-N 2.89Å; L36-R493 HydrophobicContact CD1-CG 4.37Å; L36-R493 HydrophobicContact CG-CG 3.91Å; R493-A497 HydrophobicContact CB-CB 4.19Å; R493-A497 PolarHBondContact NH2-O 3.43Å; R493-Q498 HydrophobicContact CB-CG 3.97Å; R493-Q498 VanDerWaalsContact NH2-CA 3.31Å; R493-Q498 PolarHBondContact NH2-O 3.01Å; R493-G501 VanDerWaalsContact NH2-CA 3.32Å
494	T	96.9	Very high	96.3	Very high	94 Å²	94	67.3 Å²	67.3	58%	0.577	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-69.9	163.7	163.9	65.1	0	0	0	0	110.3	S496 A497 Q498	T494-S496 PolarHBondContact O-N 2.75Å; T494-A497 PolarHBondContact O-N 2.96Å; T494-A497 VanDerWaalsContact O-N 3.1Å; T494-A497 PolarHBondContact OG1-N 3.42Å; T494-Q498 WeakPolarHBondContact O-CG 3.43Å; T494-Q498 PolarHBondContact O-N 3.07Å
495	S	96.2	Very high	96.2	Very high	96 Å²	96	69.2 Å²	69.2	67%	0.671	42%	0.417	S	S	*	.	H	α-helix	trans	-56.3	-36.5	175.5	-50.1	0	0	0	0	112.4	Q498 V499	S495-Q498 WeakPolarHBondContact O-CB 3.41Å; S495-Q498 PolarHBondContact O-N 3.46Å; S495-V499 PolarHBondContact O-N 3.08Å
496	S	97.6	Very high	96.1	Very high	94 Å²	94	70.7 Å²	70.7	66%	0.657	42%	0.418	S	S	*	.	H	α-helix	trans	-66.2	-43.4	175.6	-56.6	0	0	0	0	112.3	T494 Q498 V499 E500	T494-S496 PolarHBondContact O-N 2.75Å; S496-Q498 PolarHBondContact O-N 3.09Å; S496-V499 PolarHBondContact O-N 3.22Å; S496-V499 VanDerWaalsContact O-N 3.17Å; S496-E500 PolarHBondContact O-N 2.77Å
497	A	97.5	Very high	96	Very high	28 Å²	28	79.2 Å²	79.2	23%	0.231	45%	0.453	C	S	.	.	H	α-helix	trans	-64.4	-26.2	174.9	0	0	0	0	0	112.2	R493 T494 G501	R493-A497 HydrophobicContact CB-CB 4.19Å; R493-A497 PolarHBondContact NH2-O 3.43Å; T494-A497 PolarHBondContact O-N 2.96Å; T494-A497 VanDerWaalsContact O-N 3.1Å; T494-A497 PolarHBondContact OG1-N 3.42Å; A497-G501 PolarHBondContact O-N 2.95Å
498	Q	96.5	Very high	96	Very high	52 Å²	52	77.7 Å²	77.7	24%	0.243	46%	0.456	C	S	.	.	H	α-helix	trans	-67.1	-45.5	172.2	-66.9	-175.9	35.8	0	0	112.4	N33 D34 R493 T494 S495 S496 G501 G502	N33-Q498 PolarHBondContact O-NE2 2.69Å; D34-Q498 PolarHBondContact OD1-NE2 3.31Å; R493-Q498 HydrophobicContact CB-CG 3.97Å; R493-Q498 VanDerWaalsContact NH2-CA 3.31Å; R493-Q498 PolarHBondContact NH2-O 3.01Å; T494-Q498 WeakPolarHBondContact O-CG 3.43Å; T494-Q498 PolarHBondContact O-N 3.07Å; S495-Q498 WeakPolarHBondContact O-CB 3.41Å; S495-Q498 PolarHBondContact O-N 3.46Å; S496-Q498 PolarHBondContact O-N 3.09Å; Q498-G501 PolarHBondContact O-N 3.33Å; Q498-G502 PolarHBondContact O-N 3.15Å
499	V	96.1	Very high	95.8	Very high	102 Å²	102	84.2 Å²	84.2	62%	0.618	48%	0.481	S	S	*	.	H	α-helix	trans	-61.9	-44.3	175.5	176	0	0	0	0	110.9	S495 S496 G501 G502	S495-V499 PolarHBondContact O-N 3.08Å; S496-V499 PolarHBondContact O-N 3.22Å; S496-V499 VanDerWaalsContact O-N 3.17Å; V499-G501 PolarHBondContact O-N 3.02Å; V499-G502 PolarHBondContact O-N 3.44Å
500	E	96.7	Very high	95.4	Very high	136 Å²	136	88.9 Å²	88.9	64%	0.636	50%	0.504	S	S	*	.	H	α-helix	trans	-61.2	-42.2	176.7	-178.5	-173	-117.7	0	0	112.6	S496 G502 H504	S496-E500 PolarHBondContact O-N 2.77Å; E500-G502 PolarHBondContact O-N 3.47Å; E500-H504 PolarHBondContact O-CD2 3.21Å; E500-H504 PolarHBondContact O-NE2 2.6Å
501	G	94.2	Very high	94.7	Very high	57 Å²	57	96.2 Å²	96.2	59%	0.588	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-1.5	178.7	0	0	0	0	0	114.6	R493 A497 Q498 V499	R493-G501 VanDerWaalsContact NH2-CA 3.32Å; A497-G501 PolarHBondContact O-N 2.95Å; Q498-G501 PolarHBondContact O-N 3.33Å; V499-G501 PolarHBondContact O-N 3.02Å
502	G	93	Very high	93.9	Very high	42 Å²	42	101.6 Å²	101.6	43%	0.433	55%	0.553	S	S	.	*	S	Bend	trans	-88	-173.8	169.4	0	0	0	0	0	112.3	Q498 V499 E500 H504	Q498-G502 PolarHBondContact O-N 3.15Å; V499-G502 PolarHBondContact O-N 3.44Å; E500-G502 PolarHBondContact O-N 3.47Å; G502-H504 PolarHBondContact O-CD2 3.41Å
503	V	93.5	Very high	93	Very high	83 Å²	83	101.6 Å²	101.6	50%	0.503	56%	0.557	S	S	.	*	S	Bend	trans	-78	123.4	167.3	-180	0	0	0	0	108.1	L506 Y509	V503-L506 HydrophobicContact CG1-CD1 3.74Å; V503-Y509 HydrophobicContact CB-CD2 4.4Å; V503-Y509 HydrophobicContact CB-CE1 4.46Å; V503-Y509 HydrophobicContact CB-CE2 4.17Å; V503-Y509 HydrophobicContact CG1-CD1 3.93Å; V503-Y509 HydrophobicContact CG1-CD2 4.01Å; V503-Y509 HydrophobicContact CG1-CE1 4.18Å; V503-Y509 HydrophobicContact CG1-CE2 4.23Å; V503-Y509 HydrophobicContact CG1-CG 3.85Å; V503-Y509 HydrophobicContact CG2-CD2 4.29Å; V503-Y509 HydrophobicContact CG2-CE2 4.09Å
504	H	94.8	Very high	92	Very high	93 Å²	93	107.1 Å²	107.1	43%	0.431	58%	0.582	S	S	.	*			trans	-142.6	168.1	179.5	66.8	82.8	0	0	0	111.8	E500 G502 L506	E500-H504 PolarHBondContact O-CD2 3.21Å; E500-H504 PolarHBondContact O-NE2 2.6Å; G502-H504 PolarHBondContact O-CD2 3.41Å; H504-L506 PolarHBondContact O-N 3.29Å
505	S	95.4	Very high	91.8	Very high	112 Å²	112	107.8 Å²	107.8	78%	0.783	58%	0.582	S	S	*	*	S	Bend	trans	62.4	33.1	176	-51.5	0	0	0	0	116
506	L	94.2	Very high	91.5	Very high	115 Å²	115	108.4 Å²	108.4	60%	0.602	58%	0.577	S	S	*	*			trans	-125.6	150	176.7	-61.9	174.7	0	0	0	111.2	V503 H504	V503-L506 HydrophobicContact CG1-CD1 3.74Å; H504-L506 PolarHBondContact O-N 3.29Å
507	H	93.6	Very high	91.2	Very high	194 Å²	194	109.2 Å²	109.2	90%	0.898	57%	0.573	S	S	*	*	S	Bend	trans	-70.7	-42.4	173.7	178.1	69.1	0	0	0	112.1
508	S	94	Very high	90.8	Very high	95 Å²	95	113.9 Å²	113.9	66%	0.664	59%	0.593	S	S	*	*			trans	-153.7	156.7	174.5	61.8	0	0	0	0	110.1
509	Y	93.1	Very high	90.4	Very high	142 Å²	142	117.8 Å²	117.8	56%	0.557	62%	0.615	S	S	*	*			trans	-151.9	157.2	175.3	73.2	-79.3	0	0	0	110.5	V503 K511	V503-Y509 HydrophobicContact CB-CD2 4.4Å; V503-Y509 HydrophobicContact CB-CE1 4.46Å; V503-Y509 HydrophobicContact CB-CE2 4.17Å; V503-Y509 HydrophobicContact CG1-CD1 3.93Å; V503-Y509 HydrophobicContact CG1-CD2 4.01Å; V503-Y509 HydrophobicContact CG1-CE1 4.18Å; V503-Y509 HydrophobicContact CG1-CE2 4.23Å; V503-Y509 HydrophobicContact CG1-CG 3.85Å; V503-Y509 HydrophobicContact CG2-CD2 4.29Å; V503-Y509 HydrophobicContact CG2-CE2 4.09Å; Y509-K511 HydrophobicContact CD2-CB 4.43Å; Y509-K511 HydrophobicContact CE2-CB 4.04Å
510	E	90.2	Very high	90.1	Very high	133 Å²	133	118.9 Å²	118.9	62%	0.621	62%	0.615	S	S	*	*			trans	-115	124.3	172.9	-169.1	-177.3	175.6	0	0	109.4	R512	E510-R512 VanDerWaalsContact CD-NH2 3.28Å; E510-R512 HydrophobicContact CG-CG 4.13Å; E510-R512 PolarHBondContact O-N 2.84Å; E510-R512 IonicContact OE1-CZ 3.76Å; E510-R512 IonicContact OE1-NE 3.25Å; E510-R512 PolarHBondContact OE1-NE 2.91Å; E510-R512 IonicContact OE1-NH2 3.4Å; E510-R512 PolarHBondContact OE1-NH2 3.09Å; E510-R512 IonicContact OE2-CZ 3.52Å; E510-R512 IonicContact OE2-NE 2.75Å; E510-R512 PolarHBondContact OE2-NE 2.73Å; E510-R512 IonicContact OE2-NH2 3.84Å; E510-R512 PolarHBondContact OE2-NH2 3.43Å
511	K	82.8	Confident	89.6	Confident	153 Å²	153	117.6 Å²	117.6	67%	0.665	61%	0.613	S	S	*	*			trans	-93.9	87.2	179.2	-166.1	173	-176.3	174	0	110.4	Y509 L513	Y509-K511 HydrophobicContact CD2-CB 4.43Å; Y509-K511 HydrophobicContact CE2-CB 4.04Å; K511-L513 HydrophobicContact CG-CD2 4.35Å
512	R	82.8	Confident	89.3	Confident	190 Å²	190	122.3 Å²	122.3	72%	0.717	62%	0.615	S	S	*	*			trans	-92.9	121.5	169.1	-65.2	-171.7	-178	168.5	10.5	109.6	E510	E510-R512 VanDerWaalsContact CD-NH2 3.28Å; E510-R512 HydrophobicContact CG-CG 4.13Å; E510-R512 PolarHBondContact O-N 2.84Å; E510-R512 IonicContact OE1-CZ 3.76Å; E510-R512 IonicContact OE1-NE 3.25Å; E510-R512 PolarHBondContact OE1-NE 2.91Å; E510-R512 IonicContact OE1-NH2 3.4Å; E510-R512 PolarHBondContact OE1-NH2 3.09Å; E510-R512 IonicContact OE2-CZ 3.52Å; E510-R512 IonicContact OE2-NE 2.75Å; E510-R512 PolarHBondContact OE2-NE 2.73Å; E510-R512 IonicContact OE2-NH2 3.84Å; E510-R512 PolarHBondContact OE2-NH2 3.43Å
513	L	77.7	Confident	88.9	Confident	89 Å²	89	129 Å²	129	47%	0.466	63%	0.63	S	S	.	*			trans	-87.8	-33.1	-177.6	-66.6	177.3	0	0	0	112.6	Y459 K511	Y459-L513 HydrophobicContact CE1-CB 4.32Å; Y459-L513 WeakPolarHBondContact CE2-O 3.46Å; K511-L513 HydrophobicContact CG-CD2 4.35Å
514	F	75.2	Confident	88.5	Confident	149 Å²	149	133.2 Å²	133.2	65%	0.654	64%	0.642	S	S	*	*			trans	-160.6	0	179.8	60.1	-85	0	0	0	110.8	K455 F456 Y459	K455-F514 HydrophobicContact CB-CE2 4.22Å; F456-F514 HydrophobicContact CB-CE1 4.45Å; F456-F514 HydrophobicContact CB-CZ 4.08Å; F456-F514 HydrophobicContact CD2-CD1 4Å; F456-F514 AromaticContact CD2-CE1 3.27Å; F456-F514 HydrophobicContact CD2-CE1 3.27Å; F456-F514 AromaticContact CD2-CZ 3.75Å; F456-F514 HydrophobicContact CD2-CZ 3.75Å; F456-F514 HydrophobicContact CE2-CD1 4.46Å; F456-F514 AromaticContact CE2-CE1 3.82Å; F456-F514 HydrophobicContact CE2-CE1 3.82Å; F456-F514 HydrophobicContact CG-CE1 4.21Å; F456-F514 HydrophobicContact CG-CZ 4.27Å; Y459-F514 HydrophobicContact CD1-CD1 4.04Å; Y459-F514 HydrophobicContact CD2-CB 3.85Å; Y459-F514 HydrophobicContact CD2-CD1 4.42Å; Y459-F514 HydrophobicContact CD2-CG 4.49Å; Y459-F514 HydrophobicContact CE1-CD1 4.48Å; Y459-F514 HydrophobicContact CE2-CB 4.45Å; Y459-F514 HydrophobicContact CG-CB 4.09Å; Y459-F514 HydrophobicContact CG-CD1 4Å; Y459-F514 HydrophobicContact CG-CG 4.27Å

Retrieved 514 of 514 residues in 93 ms (Link to these results)

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