A0A077ZFA2_TRITR Loading...

Peptidase M16 C and Peptidase M16 domain containi ng protein

AlphaFold DB (P37648), UniProt , Accession A0A077ZFA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 498 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	37.2	Very low	219 Å²	219	150.1 Å²	150.1	100%	1.079	83%	0.825	S	S	*	*				0	50.9	0	-65.2	-177.3	152.7	0	0	110.4
2	Q	38	Very low	37.1	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	82%	0.819	S	S	*	*			trans	-151.4	113.4	-132	-79.8	142	-19.2	0	0	105.9
3	G	32.5	Very low	37.2	Very low	66 Å²	66	145 Å²	145	68%	0.68	82%	0.821	S	S	*	*			cis	72.8	84.7	17	0	0	0	0	0	109.4
4	T	39.2	Very low	37.4	Very low	138 Å²	138	146 Å²	146	85%	0.847	82%	0.822	S	S	*	*			trans	-142.9	72.1	160.4	-8.8	0	0	0	0	109.8
5	K	36.8	Very low	37.7	Very low	188 Å²	188	147.9 Å²	147.9	82%	0.817	82%	0.824	S	S	*	*			trans	30.2	103.1	137.4	-62.3	-174.7	178.1	-177.2	0	116.1	R7	K5-R7 PolarHBondContact O-N 2.94Å; K5-R7 VanDerWaalsContact O-N 3.12Å
6	I	36.8	Very low	38	Very low	154 Å²	154	148.9 Å²	148.9	79%	0.79	82%	0.823	S	S	*	*			trans	-42.1	110.6	147.1	-64	159.3	0	0	0	108.6	L8	I6-L8 HydrophobicContact CG2-CD1 4.04Å; I6-L8 HydrophobicContact CG2-CG 4.05Å
7	R	38.1	Very low	38.5	Very low	223 Å²	223	145.6 Å²	145.6	84%	0.842	82%	0.82	S	S	*	*			trans	-105.6	95.9	159.4	-82.9	-172.5	170.8	-176.5	-2.1	107.1	K5 L9	K5-R7 PolarHBondContact O-N 2.94Å; K5-R7 VanDerWaalsContact O-N 3.12Å; R7-L9 PolarHBondContact O-N 3.16Å
8	L	36.5	Very low	38.9	Very low	162 Å²	162	144.8 Å²	144.8	85%	0.848	82%	0.819	S	S	*	*			trans	-65.2	102.2	159.5	-81.3	147.8	0	0	0	107.3	I6	I6-L8 HydrophobicContact CG2-CD1 4.04Å; I6-L8 HydrophobicContact CG2-CG 4.05Å
9	L	40.3	Very low	39.3	Very low	157 Å²	157	140.9 Å²	140.9	82%	0.822	81%	0.807	S	S	*	*			trans	-110.8	106.2	158.6	-86.1	162.8	0	0	0	106.1	R7 G11	R7-L9 PolarHBondContact O-N 3.16Å; L9-G11 PolarHBondContact O-N 2.88Å
10	A	36.4	Very low	39.4	Very low	108 Å²	108	137.2 Å²	137.2	89%	0.893	80%	0.8	S	S	*	*			trans	-61	87.9	168.7	0	0	0	0	0	108.9
11	G	35.1	Very low	39.7	Very low	63 Å²	63	140.6 Å²	140.6	65%	0.649	80%	0.801	S	S	*	*			trans	-93.3	89.2	163.6	0	0	0	0	0	107.6	L9 L13	L9-G11 PolarHBondContact O-N 2.88Å; G11-L13 PolarHBondContact O-N 2.8Å
12	G	36.6	Very low	40.1	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	79%	0.79	S	S	*	*			trans	-57.7	105.5	166.9	0	0	0	0	0	108.2	L14	G12-L14 PolarHBondContact O-N 3.31Å
13	L	38	Very low	40.7	Very low	161 Å²	161	136.6 Å²	136.6	84%	0.843	79%	0.789	S	S	*	*			trans	-60.6	105.7	167.7	-94.5	115	0	0	0	107.2	G11 M15	G11-L13 PolarHBondContact O-N 2.8Å; L13-M15 VanDerWaalsContact C-N 3.26Å; L13-M15 PolarHBondContact O-N 3.43Å
14	L	40.2	Very low	42.3	Very low	159 Å²	159	135 Å²	135	83%	0.832	77%	0.77	S	S	*	*			trans	-54.5	97.9	155.9	-91.3	137.4	0	0	0	107.1	G12 M16	G12-L14 PolarHBondContact O-N 3.31Å; L14-M16 PolarHBondContact O-N 2.81Å
15	M	41	Very low	44.6	Very low	175 Å²	175	134.5 Å²	134.5	86%	0.862	76%	0.762	S	S	*	*			trans	-62.4	87.7	162.2	-75.6	-88.9	-84.7	0	0	106.5	L13 A17	L13-M15 VanDerWaalsContact C-N 3.26Å; L13-M15 PolarHBondContact O-N 3.43Å; M15-A17 PolarHBondContact O-N 3.26Å
16	M	43.8	Very low	47.3	Very low	164 Å²	164	128.2 Å²	128.2	81%	0.808	75%	0.745	S	S	*	*			trans	-61.5	93.5	158.8	-93.1	-173.2	-92	0	0	106	L14 T18	L14-M16 PolarHBondContact O-N 2.81Å; M16-T18 PolarHBondContact O-N 3.42Å
17	A	45.3	Very low	50.1	Low	93 Å²	93	121.3 Å²	121.3	77%	0.769	71%	0.709	S	S	*	*			trans	-58.8	91.3	160.4	0	0	0	0	0	106.1	M15 A19	M15-A17 PolarHBondContact O-N 3.26Å; A17-A19 PolarHBondContact O-N 2.91Å
18	T	45.6	Very low	52.8	Low	130 Å²	130	116.2 Å²	116.2	80%	0.798	70%	0.695	S	S	*	*			trans	-65.6	84.3	159.7	41.9	0	0	0	0	105	M16 G20	M16-T18 PolarHBondContact O-N 3.42Å; T18-G20 PolarHBondContact O-N 3.03Å
19	A	46.5	Very low	55.6	Low	72 Å²	72	111.4 Å²	111.4	60%	0.595	67%	0.674	S	S	*	*			trans	-57.8	94.1	157.7	0	0	0	0	0	104.7	A17 Y21	A17-A19 PolarHBondContact O-N 2.91Å; A19-Y21 WeakPolarHBondContact O-CD2 3.44Å; A19-Y21 PolarHBondContact O-N 3.48Å
20	G	41.8	Very low	58.3	Low	65 Å²	65	104.5 Å²	104.5	67%	0.67	64%	0.638	S	S	*	*			trans	-61.3	90.2	169.4	0	0	0	0	0	106.1	T18 V22	T18-G20 PolarHBondContact O-N 3.03Å; G20-V22 PolarHBondContact O-N 3.28Å
21	Y	44.7	Very low	61.1	Low	209 Å²	209	104.8 Å²	104.8	82%	0.82	63%	0.631	S	S	*	*			trans	-56.4	98	153.3	-72.2	-86.6	0	0	0	104	A19 Q23	A19-Y21 WeakPolarHBondContact O-CD2 3.44Å; A19-Y21 PolarHBondContact O-N 3.48Å; Y21-Q23 PolarHBondContact O-N 3.26Å
22	V	48.3	Very low	64	Low	139 Å²	139	104 Å²	104	84%	0.842	62%	0.617	S	S	*	*			trans	-52.7	98.8	164.1	174.4	0	0	0	0	103.9	G20 A24	G20-V22 PolarHBondContact O-N 3.28Å; V22-A24 PolarHBondContact O-N 2.71Å; V22-A24 VanDerWaalsContact O-N 3.07Å
23	Q	50.7	Low	66.9	Low	170 Å²	170	101.1 Å²	101.1	79%	0.794	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.4	119.5	174.9	-73.5	-164.5	-55.4	0	0	105	Y21 D25	Y21-Q23 PolarHBondContact O-N 3.26Å; Q23-D25 PolarHBondContact O-N 2.87Å; Q23-D25 VanDerWaalsContact O-N 3.16Å
24	A	66	Low	69.7	Low	33 Å²	33	97.3 Å²	97.3	27%	0.273	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-61.2	121.8	178.7	0	0	0	0	0	108	V22 A26 E288 A290	V22-A24 PolarHBondContact O-N 2.71Å; V22-A24 VanDerWaalsContact O-N 3.07Å; A24-A26 PolarHBondContact O-N 3.17Å; A24-E288 HydrophobicContact CB-CB 4.14Å; A24-A290 HydrophobicContact CB-CB 3.49Å; A24-A290 VanDerWaalsContact CB-CB 3.49Å
25	D	88.7	Confident	72.4	Confident	126 Å²	126	95.1 Å²	95.1	67%	0.674	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.1	131	-179.8	-71	-36	0	0	0	109.8	Q23 L27 S289	Q23-D25 PolarHBondContact O-N 2.87Å; Q23-D25 VanDerWaalsContact O-N 3.16Å; D25-L27 PolarHBondContact O-N 3.17Å; D25-S289 PolarHBondContact N-OG 3.23Å; D25-S289 PolarHBondContact O-N 2.9Å; D25-S289 PolarHBondContact O-OG 2.82Å; D25-S289 VanDerWaalsContact O-OG 3.12Å
26	A	93.9	Very high	75.1	Confident	57 Å²	57	87.8 Å²	87.8	47%	0.471	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-57.8	133.3	169.4	0	0	0	0	0	109.5	A24 Q28	A24-A26 PolarHBondContact O-N 3.17Å; A26-Q28 PolarHBondContact O-N 3.23Å; A26-Q28 PolarHBondContact O-NE2 3.05Å
27	L	95.5	Very high	77.7	Confident	8 Å²	8	84.3 Å²	84.3	4%	0.042	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-62.1	136.1	172.5	-67.4	176.4	0	0	0	108.6	D25 P29 I286 R287 L292 V410 I412 L420	D25-L27 PolarHBondContact O-N 3.17Å; L27-P29 WeakPolarHBondContact O-CD 3.36Å; L27-I286 HydrophobicContact CD1-CG2 3.91Å; L27-R287 WeakPolarHBondContact CB-O 3.25Å; L27-R287 PolarHBondContact N-O 3.44Å; L27-L292 HydrophobicContact CD1-CB 4.31Å; L27-L292 HydrophobicContact CD1-CD2 4.23Å; L27-L292 HydrophobicContact CD2-CD2 3.97Å; L27-V410 HydrophobicContact CB-CB 3.89Å; L27-V410 HydrophobicContact CB-CG1 3.74Å; L27-V410 HydrophobicContact CD1-CB 4.19Å; L27-I412 HydrophobicContact CB-CG2 3.94Å; L27-I412 HydrophobicContact CD1-CG2 4.39Å; L27-I412 HydrophobicContact CD2-CG2 4.23Å; L27-I412 HydrophobicContact CG-CG2 4.41Å; L27-L420 HydrophobicContact CD2-CD1 3.87Å
28	Q	93.5	Very high	80.2	Confident	116 Å²	116	80.6 Å²	80.6	54%	0.542	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-90.6	119.1	-179.9	-60.7	-56.1	-55.4	0	0	107	A26 D30 Q416	A26-Q28 PolarHBondContact O-N 3.23Å; A26-Q28 PolarHBondContact O-NE2 3.05Å; Q28-D30 PolarHBondContact O-N 3.12Å; Q28-Q416 PolarHBondContact O-OE1 3.35Å
29	P	95.1	Very high	82.7	Confident	62 Å²	62	80.3 Å²	80.3	40%	0.403	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-54.3	142.1	175.6	-24.4	33.8	0	0	0	110.8	L27 P31 V410 D411	L27-P29 WeakPolarHBondContact O-CD 3.36Å; P29-P31 VanDerWaalsContact O-CD 3.29Å; P29-P31 WeakPolarHBondContact O-CD 3.27Å; P29-V410 HydrophobicContact CB-CG1 4.35Å; P29-V410 HydrophobicContact CG-CG1 4.02Å; P29-D411 CarbonylContact C-O 3.52Å; P29-D411 WeakPolarHBondContact CA-O 3.41Å
30	D	96.5	Very high	85.1	Confident	12 Å²	12	78.2 Å²	78.2	6%	0.064	45%	0.454	C	S	.	.			trans	-52.6	113	177	-179.6	-0.8	0	0	0	111	Q28 A32 W33 D411 A413	Q28-D30 PolarHBondContact O-N 3.12Å; D30-A32 PolarHBondContact O-N 3.18Å; D30-A32 VanDerWaalsContact OD1-CB 3.24Å; D30-A32 WeakPolarHBondContact OD1-CB 3.36Å; D30-A32 PolarHBondContact OD1-N 2.91Å; D30-W33 PolarHBondContact O-N 3.49Å; D30-W33 VanDerWaalsContact O-N 3.15Å; D30-D411 PolarHBondContact N-O 3.32Å; D30-A413 HydrophobicContact CB-CB 4.37Å
31	P	95.6	Very high	87.8	Confident	114 Å²	114	76.1 Å²	76.1	74%	0.74	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.1	-176.8	30	-36.2	0	0	0	113.1	P29 W33	P29-P31 VanDerWaalsContact O-CD 3.29Å; P29-P31 WeakPolarHBondContact O-CD 3.27Å; P31-W33 PolarHBondContact O-N 3.3Å
32	A	95.9	Very high	90.4	Very high	45 Å²	45	66.2 Å²	66.2	37%	0.372	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.8	173.3	0	0	0	0	0	112.3	D30 Q34 L47	D30-A32 PolarHBondContact O-N 3.18Å; D30-A32 VanDerWaalsContact OD1-CB 3.24Å; D30-A32 WeakPolarHBondContact OD1-CB 3.36Å; D30-A32 PolarHBondContact OD1-N 2.91Å; A32-Q34 PolarHBondContact O-N 3.38Å; A32-L47 HydrophobicContact CB-CD1 3.8Å
33	W	97.4	Very high	92.7	Very high	14 Å²	14	63.9 Å²	63.9	5%	0.053	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	108.9	173.1	-73.3	86.8	0	0	0	110.5	D30 P31 Q45 L47 L221 V223 R401	D30-W33 PolarHBondContact O-N 3.49Å; D30-W33 VanDerWaalsContact O-N 3.15Å; P31-W33 PolarHBondContact O-N 3.3Å; W33-Q45 HydrophobicContact CE3-CB 4.01Å; W33-Q45 HydrophobicContact CZ3-CB 4.28Å; W33-L47 HydrophobicContact CD2-CB 3.85Å; W33-L47 HydrophobicContact CD2-CD1 4.48Å; W33-L47 HydrophobicContact CE3-CB 3.78Å; W33-L47 HydrophobicContact CG-CD1 4.49Å; W33-L47 HydrophobicContact CH2-CB 3.84Å; W33-L47 HydrophobicContact CH2-CD2 4.28Å; W33-L47 HydrophobicContact CZ2-CB 3.87Å; W33-L47 HydrophobicContact CZ2-CD2 3.63Å; W33-L47 HydrophobicContact CZ2-CG 4.31Å; W33-L47 HydrophobicContact CZ3-CB 3.78Å; W33-L221 HydrophobicContact CZ3-CD2 4.31Å; W33-V223 HydrophobicContact CH2-CG2 3.33Å; W33-V223 HydrophobicContact CZ2-CG2 4.23Å; W33-V223 HydrophobicContact CZ3-CG2 3.85Å; W33-R401 HydrophobicContact CD2-CG 4.4Å; W33-R401 HydrophobicContact CE3-CG 4.34Å; W33-R401 HydrophobicContact CH2-CB 3.57Å; W33-R401 HydrophobicContact CH2-CG 3.5Å; W33-R401 HydrophobicContact CZ2-CB 3.45Å; W33-R401 VanDerWaalsContact CZ2-CB 3.45Å; W33-R401 HydrophobicContact CZ2-CG 3.6Å; W33-R401 HydrophobicContact CZ3-CB 4.46Å; W33-R401 HydrophobicContact CZ3-CG 3.91Å
34	Q	97.6	Very high	95	Very high	80 Å²	80	57.1 Å²	57.1	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.2	165.9	-64.4	-179.8	42.9	0	0	108.4	A32 W44 Q45 V46 A228	A32-Q34 PolarHBondContact O-N 3.38Å; Q34-W44 HydrophobicContact CB-CZ3 4.1Å; Q34-Q45 CarbonylContact O-C 3.21Å; Q34-Q45 VanDerWaalsContact O-CA 3.26Å; Q34-Q45 WeakPolarHBondContact O-CA 3.44Å; Q34-V46 PolarHBondContact N-O 2.7Å; Q34-V46 PolarHBondContact O-N 3.15Å; Q34-A228 VanDerWaalsContact NE2-CB 3.29Å
35	Q	97.3	Very high	96.6	Very high	113 Å²	113	56.2 Å²	56.2	53%	0.528	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.2	-178.5	61.1	-177.7	26	0	0	110.7	W44 Q45	Q35-W44 VanDerWaalsContact CA-O 3.31Å; Q35-W44 WeakPolarHBondContact CA-O 3.48Å; Q35-Q45 HydrophobicContact CB-CG 4.17Å
36	G	97.5	Very high	97.1	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	172.5	175.6	0	0	0	0	0	112.8	Q43 W44	G36-Q43 WeakPolarHBondContact O-CA 3.49Å; G36-W44 VanDerWaalsContact CA-CE2 3.49Å; G36-W44 PolarHBondContact N-O 3.35Å; G36-W44 PolarHBondContact O-N 3.4Å
37	T	98.4	Very high	97.3	Very high	91 Å²	91	47.7 Å²	47.7	56%	0.558	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.2	179.1	-53.3	0	0	0	0	108	L42 Q43	T37-L42 CarbonylContact C-O 3.57Å; T37-L42 WeakPolarHBondContact CA-O 3.44Å; T37-Q43 HydrophobicContact CG2-CG 4.39Å
38	L	98.4	Very high	97.4	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.079	29%	0.288	C	S	.	.			trans	-70.8	163.7	173.1	-59.5	-172.4	0	0	0	110.6	N40 G41 L42 I235 N236 F239	L38-N40 WeakPolarHBondContact CB-OD1 3.4Å; L38-N40 PolarHBondContact O-N 3.35Å; L38-N40 VanDerWaalsContact O-N 3.13Å; L38-G41 PolarHBondContact O-N 3.11Å; L38-L42 HydrophobicContact CB-CB 4.45Å; L38-L42 HydrophobicContact CD1-CB 4.31Å; L38-L42 HydrophobicContact CD1-CD2 3.96Å; L38-L42 HydrophobicContact CG-CB 4.49Å; L38-L42 HydrophobicContact CG-CD2 4.24Å; L38-L42 PolarHBondContact N-O 3.12Å; L38-I235 HydrophobicContact CD1-CG2 4.21Å; L38-N236 HydrophobicContact CD2-CB 4.21Å; L38-F239 HydrophobicContact CD1-CB 3.77Å
39	S	97.1	Very high	97.5	Very high	124 Å²	124	43.8 Å²	43.8	87%	0.867	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.4	179.9	56.1	0	0	0	0	114.1	G41	S39-G41 VanDerWaalsContact C-N 3.33Å
40	N	97.6	Very high	97.5	Very high	28 Å²	28	45 Å²	45	15%	0.15	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.7	174.3	64.5	2.1	0	0	0	113.9	L38 L42 P215 F239 L242	L38-N40 WeakPolarHBondContact CB-OD1 3.4Å; L38-N40 PolarHBondContact O-N 3.35Å; L38-N40 VanDerWaalsContact O-N 3.13Å; N40-L42 PolarHBondContact OD1-N 2.86Å; N40-P215 HydrophobicContact CB-CB 4.14Å; N40-P215 HydrophobicContact CB-CG 4.43Å; N40-F239 PolarHBondContact ND2-O 3.17Å; N40-L242 PolarHBondContact ND2-O 3.36Å
41	G	97.9	Very high	97.4	Very high	21 Å²	21	49.5 Å²	49.5	22%	0.216	29%	0.29	C	S	.	.	S	Bend	trans	92.7	-9	176.5	0	0	0	0	0	115.1	L38 S39 Q43	L38-G41 PolarHBondContact O-N 3.11Å; S39-G41 VanDerWaalsContact C-N 3.33Å; G41-Q43 PolarHBondContact O-N 3.33Å
42	L	98.7	Very high	97.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.			trans	-62.5	126.4	177.1	-177.7	144.2	0	0	0	111.1	T37 L38 N40 W44 P215 M218 I235 F239	T37-L42 CarbonylContact C-O 3.57Å; T37-L42 WeakPolarHBondContact CA-O 3.44Å; L38-L42 HydrophobicContact CB-CB 4.45Å; L38-L42 HydrophobicContact CD1-CB 4.31Å; L38-L42 HydrophobicContact CD1-CD2 3.96Å; L38-L42 HydrophobicContact CG-CB 4.49Å; L38-L42 HydrophobicContact CG-CD2 4.24Å; L38-L42 PolarHBondContact N-O 3.12Å; N40-L42 PolarHBondContact OD1-N 2.86Å; L42-W44 HydrophobicContact CD2-CB 4.46Å; L42-P215 WeakPolarHBondContact CA-O 3.15Å; L42-P215 HydrophobicContact CB-CB 3.99Å; L42-P215 WeakPolarHBondContact CB-O 3.37Å; L42-P215 PolarHBondContact N-O 3.4Å; L42-M218 HydrophobicContact CD1-CB 3.85Å; L42-M218 HydrophobicContact CD1-SD 4.17Å; L42-M218 HydrophobicContact CG-CB 4.16Å; L42-I235 HydrophobicContact CD2-CG2 4.45Å; L42-F239 HydrophobicContact CD1-CB 3.94Å; L42-F239 HydrophobicContact CD1-CD1 3.52Å; L42-F239 HydrophobicContact CD1-CE1 4.33Å; L42-F239 HydrophobicContact CD1-CG 3.97Å; L42-F239 HydrophobicContact CD2-CB 4.3Å
43	Q	98.5	Very high	97.3	Very high	90 Å²	90	45.4 Å²	45.4	42%	0.421	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.2	176.7	-63.7	175.2	-15.3	0	0	109.7	G36 T37 G41 M218 T219 L220	G36-Q43 WeakPolarHBondContact O-CA 3.49Å; T37-Q43 HydrophobicContact CG2-CG 4.39Å; G41-Q43 PolarHBondContact O-N 3.33Å; Q43-M218 PolarHBondContact N-O 2.94Å; Q43-T219 HydrophobicContact CB-CG2 4.19Å; Q43-T219 CarbonylContact O-C 3.51Å; Q43-T219 VanDerWaalsContact O-CA 3.32Å; Q43-T219 WeakPolarHBondContact O-CA 3.45Å; Q43-T219 PolarHBondContact OE1-OG1 3.47Å; Q43-L220 PolarHBondContact O-N 2.98Å
44	W	98.6	Very high	97.3	Very high	28 Å²	28	49.2 Å²	49.2	11%	0.106	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.3	173.7	58.2	-97.2	0	0	0	111	Q34 Q35 G36 L42 V46 L220 V232 I235	Q34-W44 HydrophobicContact CB-CZ3 4.1Å; Q35-W44 VanDerWaalsContact CA-O 3.31Å; Q35-W44 WeakPolarHBondContact CA-O 3.48Å; G36-W44 VanDerWaalsContact CA-CE2 3.49Å; G36-W44 PolarHBondContact N-O 3.35Å; G36-W44 PolarHBondContact O-N 3.4Å; L42-W44 HydrophobicContact CD2-CB 4.46Å; W44-V46 HydrophobicContact CE3-CG2 4.03Å; W44-V46 HydrophobicContact CZ3-CG2 4.33Å; W44-L220 CarbonylContact C-O 3.26Å; W44-L220 VanDerWaalsContact CA-O 3.22Å; W44-L220 WeakPolarHBondContact CA-O 3.25Å; W44-L220 HydrophobicContact CB-CB 4.41Å; W44-V232 HydrophobicContact CE3-CG2 4.17Å; W44-V232 HydrophobicContact CH2-CG1 4.08Å; W44-V232 HydrophobicContact CH2-CG2 3.58Å; W44-V232 HydrophobicContact CZ2-CG1 3.81Å; W44-V232 HydrophobicContact CZ2-CG2 4.09Å; W44-V232 HydrophobicContact CZ3-CG2 3.63Å; W44-I235 HydrophobicContact CB-CD1 4.16Å; W44-I235 HydrophobicContact CB-CG2 4.13Å; W44-I235 HydrophobicContact CG-CD1 4.46Å; W44-I235 HydrophobicContact CG-CG2 4.11Å
45	Q	98.5	Very high	97.3	Very high	14 Å²	14	47 Å²	47	7%	0.065	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.8	177.5	-53.6	-179.2	16.5	0	0	109.7	W33 Q34 Q35 L220 L221 V222	W33-Q45 HydrophobicContact CE3-CB 4.01Å; W33-Q45 HydrophobicContact CZ3-CB 4.28Å; Q34-Q45 CarbonylContact O-C 3.21Å; Q34-Q45 VanDerWaalsContact O-CA 3.26Å; Q34-Q45 WeakPolarHBondContact O-CA 3.44Å; Q35-Q45 HydrophobicContact CB-CG 4.17Å; Q45-L220 PolarHBondContact N-O 2.98Å; Q45-L221 HydrophobicContact CB-CG 4.29Å; Q45-L221 CarbonylContact O-C 3.38Å; Q45-L221 VanDerWaalsContact O-CA 3.3Å; Q45-L221 WeakPolarHBondContact O-CA 3.47Å; Q45-V222 PolarHBondContact O-N 3.46Å
46	V	98.6	Very high	97.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.9	-178.3	-178.2	0	0	0	0	109.6	Q34 W44 T48 V222 V226 V231 I235	Q34-V46 PolarHBondContact N-O 2.7Å; Q34-V46 PolarHBondContact O-N 3.15Å; W44-V46 HydrophobicContact CE3-CG2 4.03Å; W44-V46 HydrophobicContact CZ3-CG2 4.33Å; V46-T48 HydrophobicContact CG1-CG2 4.29Å; V46-V222 CarbonylContact C-O 3.53Å; V46-V222 VanDerWaalsContact CA-O 3.29Å; V46-V222 WeakPolarHBondContact CA-O 3.33Å; V46-V222 HydrophobicContact CG2-CB 4.33Å; V46-V226 HydrophobicContact CG1-CG2 4.42Å; V46-V231 HydrophobicContact CG2-CG1 3.98Å; V46-I235 HydrophobicContact CG2-CD1 4.32Å
47	L	98.2	Very high	97.4	Very high	5 Å²	5	43 Å²	43	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.2	168.2	180	65.8	0	0	0	109.2	A32 W33 T49 V222 V223 G224 L397	A32-L47 HydrophobicContact CB-CD1 3.8Å; W33-L47 HydrophobicContact CD2-CB 3.85Å; W33-L47 HydrophobicContact CD2-CD1 4.48Å; W33-L47 HydrophobicContact CE3-CB 3.78Å; W33-L47 HydrophobicContact CG-CD1 4.49Å; W33-L47 HydrophobicContact CH2-CB 3.84Å; W33-L47 HydrophobicContact CH2-CD2 4.28Å; W33-L47 HydrophobicContact CZ2-CB 3.87Å; W33-L47 HydrophobicContact CZ2-CD2 3.63Å; W33-L47 HydrophobicContact CZ2-CG 4.31Å; W33-L47 HydrophobicContact CZ3-CB 3.78Å; L47-T49 HydrophobicContact CD2-CG2 4.34Å; L47-T49 HydrophobicContact CG-CG2 4.16Å; L47-V222 PolarHBondContact N-O 3.4Å; L47-V223 HydrophobicContact CB-CG1 4.26Å; L47-V223 HydrophobicContact CB-CG2 4.12Å; L47-V223 HydrophobicContact CD2-CG1 4.06Å; L47-V223 HydrophobicContact CG-CG1 4.43Å; L47-V223 WeakPolarHBondContact O-CA 3.4Å; L47-G224 PolarHBondContact O-N 3.42Å; L47-L397 HydrophobicContact CD2-CB 4.2Å; L47-L397 HydrophobicContact CD2-CD1 3.99Å
48	T	97.8	Very high	97.4	Very high	41 Å²	41	38.9 Å²	38.9	25%	0.252	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.8	174	54.6	0	0	0	0	111	V46 P50 G224 V226 A228	V46-T48 HydrophobicContact CG1-CG2 4.29Å; T48-P50 VanDerWaalsContact C-CD 3.43Å; T48-P50 WeakPolarHBondContact O-CD 3.46Å; T48-G224 CarbonylContact C-O 3.42Å; T48-G224 WeakPolarHBondContact CA-O 3.38Å; T48-V226 HydrophobicContact CG2-CG2 4.32Å; T48-V226 VanDerWaalsContact CG2-O 3.32Å; T48-V226 WeakPolarHBondContact CG2-O 3.27Å; T48-A228 HydrophobicContact CG2-CB 3.73Å
49	T	96.6	Very high	97.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.223	C	C	.	.			trans	-122.3	63.7	-178.2	63.6	0	0	0	0	112.7	L47 Q51 R52 V223 G224 N225 T394 L397	L47-T49 HydrophobicContact CD2-CG2 4.34Å; L47-T49 HydrophobicContact CG-CG2 4.16Å; T49-Q51 PolarHBondContact O-N 2.82Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; T49-R52 CarbonylContact O-C 3.58Å; T49-R52 WeakPolarHBondContact O-CA 3.37Å; T49-R52 PolarHBondContact O-N 2.79Å; T49-V223 HydrophobicContact CG2-CG1 4.24Å; T49-G224 PolarHBondContact N-O 2.81Å; T49-G224 VanDerWaalsContact OG1-CA 3.27Å; T49-G224 WeakPolarHBondContact OG1-CA 3.29Å; T49-G224 PolarHBondContact OG1-O 3.36Å; T49-N225 PolarHBondContact OG1-N 3.46Å; T49-T394 HydrophobicContact CG2-CG2 4.34Å; T49-L397 HydrophobicContact CG2-CD1 4.08Å
50	P	95.1	Very high	97.5	Very high	86 Å²	86	33 Å²	33	56%	0.558	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.9	-179.5	26.6	-36.2	0	0	0	114	T48 R52 N225	T48-P50 VanDerWaalsContact C-CD 3.43Å; T48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-R52 PolarHBondContact O-N 2.71Å; P50-N225 WeakPolarHBondContact CA-OD1 3.42Å
51	Q	93.9	Very high	97.5	Very high	107 Å²	107	31.6 Å²	31.6	50%	0.5	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.9	173.3	74.8	-76.9	34.8	0	0	113.8	T49 P53	T49-Q51 PolarHBondContact O-N 2.82Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; Q51-P53 VanDerWaalsContact C-CD 3.43Å
52	R	95.4	Very high	97.6	Very high	9 Å²	9	32 Å²	32	3%	0.034	17%	0.174	C	C	.	.			trans	-125.9	61.7	178.5	-57.8	-176.8	-170.5	74.4	0.9	111.1	T49 P50 S54 D55 Y389 A392	T49-R52 CarbonylContact O-C 3.58Å; T49-R52 WeakPolarHBondContact O-CA 3.37Å; T49-R52 PolarHBondContact O-N 2.79Å; P50-R52 PolarHBondContact O-N 2.71Å; R52-S54 PolarHBondContact O-N 3.33Å; R52-D55 HydrophobicContact CB-CB 3.99Å; R52-D55 VanDerWaalsContact CD-OD2 3.26Å; R52-D55 WeakPolarHBondContact CD-OD2 3.27Å; R52-D55 PolarHBondContact O-N 3.35Å; R52-Y389 PolarHBondContact NH2-O 3.09Å; R52-A392 VanDerWaalsContact CD-O 3.31Å; R52-A392 WeakPolarHBondContact CD-O 3.37Å; R52-A392 PolarHBondContact NE-O 3.33Å
53	P	95.2	Very high	97.6	Very high	65 Å²	65	32 Å²	32	42%	0.422	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.6	-171.3	29.1	-36.7	0	0	0	114.1	Q51 N129	Q51-P53 VanDerWaalsContact C-CD 3.43Å; P53-N129 WeakPolarHBondContact O-CB 3.24Å
54	S	95.9	Very high	97.5	Very high	94 Å²	94	31.3 Å²	31.3	66%	0.657	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-12.7	180	-61.5	0	0	0	0	113.5	R52 N129	R52-S54 PolarHBondContact O-N 3.33Å; S54-N129 PolarHBondContact O-ND2 3.26Å
55	D	97.6	Very high	97.4	Very high	32 Å²	32	30.1 Å²	30.1	17%	0.171	17%	0.169	C	C	.	.	S	Bend	trans	-73.8	153.4	-176.4	-72.5	26.3	0	0	0	111.7	R52 N129 D393 T394	R52-D55 HydrophobicContact CB-CB 3.99Å; R52-D55 VanDerWaalsContact CD-OD2 3.26Å; R52-D55 WeakPolarHBondContact CD-OD2 3.27Å; R52-D55 PolarHBondContact O-N 3.35Å; D55-N129 WeakPolarHBondContact O-CB 3.3Å; D55-D393 WeakPolarHBondContact OD2-CA 3.2Å; D55-T394 HydrophobicContact CB-CG2 3.59Å; D55-T394 PolarHBondContact OD2-N 3.28Å
56	R	98.3	Very high	97.4	Very high	46 Å²	46	29.5 Å²	29.5	17%	0.174	17%	0.167	C	C	.	.			trans	-69.5	153.4	177.2	-61.7	-174.5	69.8	84.8	-1.7	110.8	Q103 I105 S126 L127 T394	R56-Q103 PolarHBondContact NH2-O 3.48Å; R56-I105 PolarHBondContact NH2-O 3.39Å; R56-S126 WeakPolarHBondContact CB-OG 3.29Å; R56-S126 WeakPolarHBondContact CD-OG 3.3Å; R56-S126 PolarHBondContact NE-OG 3.41Å; R56-S126 PolarHBondContact NH2-O 3.06Å; R56-L127 CarbonylContact C-O 3.48Å; R56-L127 WeakPolarHBondContact CA-O 3.28Å; R56-L127 WeakPolarHBondContact CB-O 3.48Å; R56-T394 WeakPolarHBondContact O-CB 3.38Å; R56-T394 PolarHBondContact O-OG1 3.44Å
57	V	98.6	Very high	97.4	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.3	171.7	-178.4	0	0	0	0	108.1	I59 L127 V222 V223 V226	V57-I59 HydrophobicContact CG1-CG1 4.35Å; V57-L127 HydrophobicContact CB-CB 4.31Å; V57-L127 PolarHBondContact N-O 2.92Å; V57-L127 PolarHBondContact O-N 3.22Å; V57-V222 HydrophobicContact CG1-CG1 3.94Å; V57-V223 CarbonylContact C-O 3.54Å; V57-V223 WeakPolarHBondContact CA-O 3.26Å; V57-V226 HydrophobicContact CG1-CG1 3.9Å; V57-V226 HydrophobicContact CG2-CG1 3.77Å
58	E	98.8	Very high	97.4	Very high	4 Å²	4	30 Å²	30	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.9	179.2	-63.3	-59.1	139.2	0	0	110.3	R60 S126 V222 V223 D395 M398	E58-R60 IonicContact OE2-CZ 3.26Å; E58-R60 VanDerWaalsContact OE2-CZ 3.3Å; E58-R60 IonicContact OE2-NH1 2.79Å; E58-R60 PolarHBondContact OE2-NH1 2.84Å; E58-R60 IonicContact OE2-NH2 3.93Å; E58-R60 PolarHBondContact OE2-NH2 3.04Å; E58-S126 VanDerWaalsContact OE1-CB 3.24Å; E58-S126 WeakPolarHBondContact OE1-CB 3.42Å; E58-S126 PolarHBondContact OE1-OG 2.91Å; E58-S126 WeakPolarHBondContact OE2-CB 3.43Å; E58-V222 CarbonylContact O-C 2.97Å; E58-V222 WeakPolarHBondContact O-CA 3.4Å; E58-V223 HydrophobicContact CB-CB 4.35Å; E58-V223 PolarHBondContact N-O 3.02Å; E58-V223 PolarHBondContact O-N 2.92Å; E58-D395 HydrophobicContact CG-CB 4.3Å; E58-M398 HydrophobicContact CB-CB 4.15Å; E58-M398 HydrophobicContact CB-CE 3.74Å; E58-M398 HydrophobicContact CB-CG 4.27Å; E58-M398 WeakPolarHBondContact O-CE 3.33Å
59	I	98.9	Very high	97.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.7	177.5	-51.9	171.6	0	0	0	108.5	V57 L125 L127 L135 A138 L142 L220 L221 V222	V57-I59 HydrophobicContact CG1-CG1 4.35Å; I59-L125 HydrophobicContact CB-CB 4.27Å; I59-L125 PolarHBondContact N-O 3.32Å; I59-L125 PolarHBondContact O-N 2.83Å; I59-L125 VanDerWaalsContact O-O 3.06Å; I59-L127 HydrophobicContact CD1-CD1 3.57Å; I59-L127 HydrophobicContact CD1-CG 4.05Å; I59-L135 HydrophobicContact CD1-CD1 3.47Å; I59-L135 VanDerWaalsContact CD1-CD1 3.47Å; I59-L135 HydrophobicContact CG1-CD1 4.3Å; I59-A138 HydrophobicContact CD1-CB 3.78Å; I59-L142 HydrophobicContact CG2-CD1 3.74Å; I59-L220 HydrophobicContact CG2-CD1 3.85Å; I59-L221 VanDerWaalsContact CA-O 3.31Å; I59-L221 WeakPolarHBondContact CA-O 3.21Å; I59-V222 HydrophobicContact CG2-CG2 4.43Å
60	R	98.8	Very high	97.4	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.9	175.1	-62.1	-60.8	177.8	-76.6	-3.4	109.1	E58 L62 M111 L122 F123 N124 L125 L220 L221 M398 M402	E58-R60 IonicContact OE2-CZ 3.26Å; E58-R60 VanDerWaalsContact OE2-CZ 3.3Å; E58-R60 IonicContact OE2-NH1 2.79Å; E58-R60 PolarHBondContact OE2-NH1 2.84Å; E58-R60 IonicContact OE2-NH2 3.93Å; E58-R60 PolarHBondContact OE2-NH2 3.04Å; R60-L62 HydrophobicContact CB-CD1 4.44Å; R60-M111 PolarHBondContact NH2-SD 3.29Å; R60-L122 HydrophobicContact CB-CD1 3.94Å; R60-L122 HydrophobicContact CG-CD1 4.39Å; R60-F123 WeakPolarHBondContact CA-O 3.04Å; R60-N124 WeakPolarHBondContact CD-OD1 3.18Å; R60-N124 PolarHBondContact NE-OD1 3.38Å; R60-L125 PolarHBondContact NH1-O 3.04Å; R60-L220 CarbonylContact O-C 3.58Å; R60-L220 WeakPolarHBondContact O-CA 3.44Å; R60-L221 HydrophobicContact CB-CB 4.37Å; R60-L221 PolarHBondContact N-O 2.99Å; R60-L221 PolarHBondContact O-N 2.95Å; R60-M398 HydrophobicContact CB-CE 4.31Å; R60-M398 HydrophobicContact CB-SD 4.09Å; R60-M398 HydrophobicContact CG-CE 3.85Å; R60-M398 HydrophobicContact CG-CG 3.73Å; R60-M398 HydrophobicContact CG-SD 3.53Å; R60-M398 VanDerWaalsContact CG-SD 3.53Å; R60-M402 HydrophobicContact CB-SD 4.35Å
61	L	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.2	168.4	177.5	61.6	0	0	0	108.5	F123 L142 T146 M218 L220 F239	L61-F123 HydrophobicContact CB-CB 4.27Å; L61-F123 PolarHBondContact N-O 3.23Å; L61-F123 VanDerWaalsContact N-O 3.11Å; L61-F123 PolarHBondContact O-N 3.5Å; L61-L142 HydrophobicContact CB-CD1 4.19Å; L61-L142 HydrophobicContact CB-CD2 4.27Å; L61-L142 HydrophobicContact CD2-CB 3.9Å; L61-L142 HydrophobicContact CD2-CD2 4.36Å; L61-T146 HydrophobicContact CD2-CG2 3.54Å; L61-T146 HydrophobicContact CG-CG2 4.46Å; L61-M218 HydrophobicContact CD1-CB 4.14Å; L61-L220 HydrophobicContact CB-CD1 4.16Å; L61-L220 HydrophobicContact CD1-CB 4.13Å; L61-L220 HydrophobicContact CD1-CD1 4.36Å; L61-F239 HydrophobicContact CD2-CE1 4.06Å
62	L	98.5	Very high	97.2	Very high	28 Å²	28	27.3 Å²	27.3	15%	0.147	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.2	172.4	-63.8	81	0	0	0	108.7	R60 T120 L122 M218 T219 L221 M402	R60-L62 HydrophobicContact CB-CD1 4.44Å; L62-T120 HydrophobicContact CB-CG2 4.37Å; L62-T120 HydrophobicContact CD2-CG2 4.38Å; L62-T120 HydrophobicContact CG-CG2 4.48Å; L62-L122 HydrophobicContact CD1-CD1 4.18Å; L62-L122 HydrophobicContact CG-CD1 4Å; L62-M218 CarbonylContact O-C 3.48Å; L62-M218 WeakPolarHBondContact O-CA 3.44Å; L62-T219 WeakPolarHBondContact CD1-O 3.34Å; L62-T219 PolarHBondContact N-O 3.21Å; L62-T219 PolarHBondContact O-N 3.21Å; L62-L221 HydrophobicContact CD1-CD1 3.24Å; L62-M402 HydrophobicContact CD1-CE 3.81Å; L62-M402 HydrophobicContact CD1-SD 3.69Å; L62-M402 HydrophobicContact CD2-CE 3.66Å; L62-M402 HydrophobicContact CD2-SD 4.28Å; L62-M402 HydrophobicContact CG-CE 3.87Å; L62-M402 HydrophobicContact CG-SD 4.39Å
63	V	98.3	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122	160.3	-172.2	0	0	0	0	106.3	T65 T120 T121 F123 T146 Y213 M218	V63-T65 PolarHBondContact O-N 3.31Å; V63-T120 WeakPolarHBondContact O-CA 3.23Å; V63-T121 PolarHBondContact N-O 3.33Å; V63-T121 PolarHBondContact O-N 3.41Å; V63-F123 HydrophobicContact CG2-CE2 4.3Å; V63-T146 HydrophobicContact CG2-CG2 4.01Å; V63-Y213 HydrophobicContact CG1-CD1 4.19Å; V63-Y213 HydrophobicContact CG1-CD2 4.36Å; V63-Y213 HydrophobicContact CG1-CE1 4.39Å; V63-Y213 HydrophobicContact CG1-CG 4.18Å; V63-Y213 HydrophobicContact CG2-CD1 4.15Å; V63-Y213 HydrophobicContact CG2-CE1 4.11Å; V63-M218 HydrophobicContact CG2-CG 4.22Å
64	N	97.1	Very high	97.1	Very high	77 Å²	77	33.1 Å²	33.1	41%	0.412	18%	0.183	S	C	.	.	S	Bend	trans	-74.3	58.1	177.6	-173.4	15.7	0	0	0	111	D119 A217 R246	N64-D119 CarbonylContact C-O 3.55Å; N64-D119 PolarHBondContact OD1-O 3.37Å; N64-A217 HydrophobicContact CB-CB 4.43Å; N64-A217 PolarHBondContact N-O 3.43Å; N64-R246 PolarHBondContact O-NH1 3.37Å; N64-R246 PolarHBondContact O-NH2 3.01Å; N64-R246 VanDerWaalsContact O-NH2 3.1Å
65	T	97.6	Very high	97.1	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.157	C	C	.	.			trans	-147.5	126.7	176.8	-68.2	0	0	0	0	109	V63 A69 D119 T120 T121 F208 W212 Y213 R246	V63-T65 PolarHBondContact O-N 3.31Å; T65-A69 HydrophobicContact CG2-CB 4.08Å; T65-D119 CarbonylContact C-O 3.58Å; T65-D119 WeakPolarHBondContact CA-O 3.49Å; T65-D119 PolarHBondContact N-O 3.48Å; T65-T120 CarbonylContact O-C 3.55Å; T65-T121 PolarHBondContact O-N 2.77Å; T65-T121 PolarHBondContact O-OG1 2.92Å; T65-F208 HydrophobicContact CG2-CE1 4.16Å; T65-F208 HydrophobicContact CG2-CZ 4.18Å; T65-W212 HydrophobicContact CG2-CB 3.69Å; T65-W212 HydrophobicContact CG2-CG 4.15Å; T65-W212 PolarHBondContact OG1-O 3.41Å; T65-Y213 HydrophobicContact CG2-CE2 4.22Å; T65-R246 PolarHBondContact OG1-NH2 3Å
66	G	97.9	Very high	97.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.15	C	C	.	.			trans	-137.8	-161.6	169.4	0	0	0	0	0	111.1	L68 A69 S117 Y118 D119	G66-L68 PolarHBondContact O-N 3.21Å; G66-A69 WeakPolarHBondContact O-CB 3.39Å; G66-A69 PolarHBondContact O-N 3.32Å; G66-A69 VanDerWaalsContact O-N 3.09Å; G66-S117 WeakPolarHBondContact CA-O 3.37Å; G66-Y118 CarbonylContact C-O 3.57Å; G66-Y118 VanDerWaalsContact CA-O 3.3Å; G66-Y118 WeakPolarHBondContact CA-O 3.2Å; G66-D119 PolarHBondContact N-O 3.49Å
67	S	98.3	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-63.5	-19.4	-177.3	53.7	0	0	0	0	114.6	A69 E70 S78 S117 Y118 H190	S67-A69 PolarHBondContact O-N 3.32Å; S67-E70 VanDerWaalsContact O-CB 3.31Å; S67-E70 WeakPolarHBondContact O-CB 3.33Å; S67-E70 PolarHBondContact O-N 3.26Å; S67-E70 VanDerWaalsContact O-N 3.09Å; S67-S78 WeakPolarHBondContact CA-OG 3.47Å; S67-S78 PolarHBondContact N-OG 3.34Å; S67-S117 PolarHBondContact N-O 3.32Å; S67-Y118 PolarHBondContact N-O 2.99Å; S67-Y118 WeakPolarHBondContact OG-CA 3.32Å; S67-H190 VanDerWaalsContact CB-O 3.32Å; S67-H190 WeakPolarHBondContact CB-O 3.2Å; S67-H190 PolarHBondContact O-ND1 3.34Å; S67-H190 VanDerWaalsContact O-ND1 3.08Å; S67-H190 PolarHBondContact OG-O 2.99Å
68	L	97.6	Very high	97	Very high	14 Å²	14	26.1 Å²	26.1	7%	0.073	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-65.6	-20.8	174.5	-168.4	64.1	0	0	0	112.5	G66 E70 Y118 T186 L187 H190 P251 P253	G66-L68 PolarHBondContact O-N 3.21Å; L68-E70 VanDerWaalsContact C-N 3.31Å; L68-Y118 WeakPolarHBondContact CB-O 3.49Å; L68-Y118 PolarHBondContact N-O 3.2Å; L68-T186 WeakPolarHBondContact CD1-O 3.43Å; L68-L187 HydrophobicContact CD1-CD2 4.24Å; L68-L187 HydrophobicContact CD2-CD2 4.03Å; L68-H190 HydrophobicContact CD1-CB 4.24Å; L68-P251 HydrophobicContact CD2-CB 3.77Å; L68-P251 HydrophobicContact CG-CB 3.78Å; L68-P251 HydrophobicContact CG-CG 4.35Å; L68-P253 HydrophobicContact CD2-CB 3.87Å
69	A	97.3	Very high	97	Very high	13 Å²	13	26.8 Å²	26.8	11%	0.107	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-80.6	-10.9	175.2	0	0	0	0	0	113.5	T65 G66 S67 F208 W212	T65-A69 HydrophobicContact CG2-CB 4.08Å; G66-A69 WeakPolarHBondContact O-CB 3.39Å; G66-A69 PolarHBondContact O-N 3.32Å; G66-A69 VanDerWaalsContact O-N 3.09Å; S67-A69 PolarHBondContact O-N 3.32Å; A69-F208 HydrophobicContact CB-CE2 4.39Å; A69-F208 HydrophobicContact CB-CZ 4.15Å; A69-W212 HydrophobicContact CB-CD2 3.9Å; A69-W212 HydrophobicContact CB-CE3 4.16Å; A69-W212 HydrophobicContact CB-CG 4.47Å; A69-W212 HydrophobicContact CB-CH2 4.07Å; A69-W212 HydrophobicContact CB-CZ2 3.78Å; A69-W212 HydrophobicContact CB-CZ3 4.25Å
70	E	96.9	Very high	97	Very high	12 Å²	12	27.1 Å²	27.1	6%	0.056	15%	0.148	C	C	.	.			trans	-80.9	142.1	-178.6	-60	174.4	-176.2	0	0	112	S67 L68 Q74 S75 G76 Y77 S78 H190 F208	S67-E70 VanDerWaalsContact O-CB 3.31Å; S67-E70 WeakPolarHBondContact O-CB 3.33Å; S67-E70 PolarHBondContact O-N 3.26Å; S67-E70 VanDerWaalsContact O-N 3.09Å; L68-E70 VanDerWaalsContact C-N 3.31Å; E70-Q74 HydrophobicContact CB-CB 4.09Å; E70-Q74 HydrophobicContact CG-CB 4.49Å; E70-S75 VanDerWaalsContact OE2-CA 3.28Å; E70-S75 WeakPolarHBondContact OE2-CA 3.43Å; E70-G76 PolarHBondContact OE2-N 3.38Å; E70-Y77 PolarHBondContact OE1-N 2.93Å; E70-Y77 VanDerWaalsContact OE1-N 3.16Å; E70-S78 WeakPolarHBondContact OE1-CA 3.32Å; E70-S78 WeakPolarHBondContact OE1-CB 3.48Å; E70-S78 PolarHBondContact OE1-N 3.13Å; E70-S78 PolarHBondContact OE1-OG 2.83Å; E70-H190 PolarHBondContact O-CE1 2.78Å; E70-H190 VanDerWaalsContact O-CE1 3.28Å; E70-F208 HydrophobicContact CB-CE2 4.5Å; E70-F208 HydrophobicContact CG-CE2 3.92Å; E70-F208 HydrophobicContact CG-CZ 3.94Å
71	S	94.7	Very high	97	Very high	46 Å²	46	26.5 Å²	26.5	32%	0.322	15%	0.146	S	C	.	.			trans	-82.2	170.1	159.5	83.1	0	0	0	0	111.6	Q73 Q74 S75	S71-Q73 PolarHBondContact O-N 3.05Å; S71-Q73 VanDerWaalsContact O-N 3.11Å; S71-Q73 PolarHBondContact OG-N 3.31Å; S71-Q73 PolarHBondContact OG-OE1 3.47Å; S71-Q74 VanDerWaalsContact N-OE1 3.09Å; S71-Q74 CarbonylContact O-C 3.59Å; S71-Q74 WeakPolarHBondContact O-CA 3.22Å; S71-Q74 PolarHBondContact O-N 3.36Å; S71-S75 PolarHBondContact O-N 3.46Å
72	T	91.5	Very high	96.9	Very high	109 Å²	109	26.5 Å²	26.5	67%	0.669	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-54.9	-31.2	174.8	-49.5	0	0	0	0	113.7	K197	T72-K197 PolarHBondContact O-NZ 2.91Å
73	Q	92.9	Very high	96.9	Very high	146 Å²	146	27.2 Å²	27.2	68%	0.682	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-81	-17.2	176.5	-57.9	83	7.8	0	0	113.3	S71	S71-Q73 PolarHBondContact O-N 3.05Å; S71-Q73 VanDerWaalsContact O-N 3.11Å; S71-Q73 PolarHBondContact OG-N 3.31Å; S71-Q73 PolarHBondContact OG-OE1 3.47Å
74	Q	95.9	Very high	96.9	Very high	49 Å²	49	27.3 Å²	27.3	23%	0.229	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-101.9	12.1	-179.2	-63.2	173.6	-31.1	0	0	112.7	E70 S71 G76 Y77 F208	E70-Q74 HydrophobicContact CB-CB 4.09Å; E70-Q74 HydrophobicContact CG-CB 4.49Å; S71-Q74 VanDerWaalsContact N-OE1 3.09Å; S71-Q74 CarbonylContact O-C 3.59Å; S71-Q74 WeakPolarHBondContact O-CA 3.22Å; S71-Q74 PolarHBondContact O-N 3.36Å; Q74-G76 PolarHBondContact O-N 2.85Å; Q74-Y77 HydrophobicContact CB-CD1 4.39Å; Q74-Y77 HydrophobicContact CB-CD2 3.76Å; Q74-Y77 HydrophobicContact CB-CE2 3.96Å; Q74-Y77 HydrophobicContact CB-CG 4Å; Q74-Y77 HydrophobicContact CG-CD2 3.97Å; Q74-Y77 HydrophobicContact CG-CE2 3.78Å; Q74-Y77 VanDerWaalsContact O-CB 3.23Å; Q74-Y77 WeakPolarHBondContact O-CB 3.42Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.47Å; Q74-Y77 PolarHBondContact O-N 2.84Å; Q74-F208 HydrophobicContact CB-CD2 4.48Å
75	S	95.2	Very high	96.9	Very high	15 Å²	15	23.8 Å²	23.8	11%	0.105	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	122.4	-178.1	178.5	0	0	0	0	111.7	E70 S71 K197	E70-S75 VanDerWaalsContact OE2-CA 3.28Å; E70-S75 WeakPolarHBondContact OE2-CA 3.43Å; S71-S75 PolarHBondContact O-N 3.46Å; S75-K197 VanDerWaalsContact CB-CE 3.47Å
76	G	97.5	Very high	96.9	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	5.2	179.4	0	0	0	0	0	115	E70 Q74 H79 A80 D194	E70-G76 PolarHBondContact OE2-N 3.38Å; Q74-G76 PolarHBondContact O-N 2.85Å; G76-H79 PolarHBondContact O-N 3.49Å; G76-A80 WeakPolarHBondContact O-CB 3.42Å; G76-A80 PolarHBondContact O-N 3.11Å; G76-D194 VanDerWaalsContact CA-O 3.27Å; G76-D194 WeakPolarHBondContact CA-O 3.47Å
77	Y	98.3	Very high	96.8	Very high	15 Å²	15	26.1 Å²	26.1	6%	0.059	14%	0.142	C	C	.	.	H	α-helix	trans	-67.9	-43.2	-179.1	-79.1	23	0	0	0	112.3	E70 Q74 H79 A80 I81 L196 V200 K204 I205 F208	E70-Y77 PolarHBondContact OE1-N 2.93Å; E70-Y77 VanDerWaalsContact OE1-N 3.16Å; Q74-Y77 HydrophobicContact CB-CD1 4.39Å; Q74-Y77 HydrophobicContact CB-CD2 3.76Å; Q74-Y77 HydrophobicContact CB-CE2 3.96Å; Q74-Y77 HydrophobicContact CB-CG 4Å; Q74-Y77 HydrophobicContact CG-CD2 3.97Å; Q74-Y77 HydrophobicContact CG-CE2 3.78Å; Q74-Y77 VanDerWaalsContact O-CB 3.23Å; Q74-Y77 WeakPolarHBondContact O-CB 3.42Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.47Å; Q74-Y77 PolarHBondContact O-N 2.84Å; Y77-H79 PolarHBondContact O-N 3.42Å; Y77-A80 PolarHBondContact O-N 2.83Å; Y77-I81 WeakPolarHBondContact O-CG1 3.14Å; Y77-I81 PolarHBondContact O-N 2.94Å; Y77-L196 HydrophobicContact CD1-CD1 3.43Å; Y77-L196 VanDerWaalsContact CD1-CD1 3.43Å; Y77-L196 HydrophobicContact CE1-CD1 3.62Å; Y77-V200 HydrophobicContact CE1-CG2 3.81Å; Y77-V200 WeakPolarHBondContact OH-CG2 3.3Å; Y77-K204 HydrophobicContact CE2-CB 4.11Å; Y77-K204 WeakPolarHBondContact CE2-O 3.37Å; Y77-K204 WeakPolarHBondContact OH-CB 3.47Å; Y77-I205 HydrophobicContact CD1-CG1 4.21Å; Y77-I205 HydrophobicContact CD2-CG1 4.21Å; Y77-I205 HydrophobicContact CE1-CG1 3.99Å; Y77-I205 HydrophobicContact CE2-CG1 3.98Å; Y77-I205 HydrophobicContact CG-CG1 4.32Å; Y77-F208 HydrophobicContact CD2-CB 3.7Å; Y77-F208 HydrophobicContact CD2-CD2 4.17Å; Y77-F208 AromaticContact CD2-CG 3.9Å; Y77-F208 HydrophobicContact CD2-CG 3.9Å; Y77-F208 HydrophobicContact CE2-CB 4.34Å
78	S	97.5	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-28.3	178.1	63.2	0	0	0	0	112.6	S67 E70 P82	S67-S78 WeakPolarHBondContact CA-OG 3.47Å; S67-S78 PolarHBondContact N-OG 3.34Å; E70-S78 WeakPolarHBondContact OE1-CA 3.32Å; E70-S78 WeakPolarHBondContact OE1-CB 3.48Å; E70-S78 PolarHBondContact OE1-N 3.13Å; E70-S78 PolarHBondContact OE1-OG 2.83Å; S78-P82 WeakPolarHBondContact O-CD 3.43Å; S78-P82 WeakPolarHBondContact O-CG 3.38Å
79	H	98.1	Very high	96.4	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.088	16%	0.164	C	C	.	.	H	α-helix	trans	-83.2	-39.2	173.7	-167.7	-141.7	0	0	0	112.3	G76 Y77 P82 R83 V116 D164 V166	G76-H79 PolarHBondContact O-N 3.49Å; Y77-H79 PolarHBondContact O-N 3.42Å; H79-P82 WeakPolarHBondContact O-CD 3.32Å; H79-P82 WeakPolarHBondContact O-CG 3.23Å; H79-R83 WeakPolarHBondContact O-CG 3.46Å; H79-R83 PolarHBondContact O-N 2.81Å; H79-V116 HydrophobicContact CB-CG2 4.5Å; H79-D164 IonicContact CE1-OD2 2.68Å; H79-D164 PolarHBondContact CE1-OD2 3.12Å; H79-D164 IonicContact NE2-OD1 3.84Å; H79-D164 IonicContact NE2-OD2 3.18Å; H79-V166 WeakPolarHBondContact CD2-CG1 3.2Å; H79-V166 WeakPolarHBondContact NE2-CB 3.39Å
80	A	98.1	Very high	96	Very high	8 Å²	8	29.6 Å²	29.6	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-38.1	-179.6	0	0	0	0	0	113.6	G76 Y77 R83 I84 L196	G76-A80 WeakPolarHBondContact O-CB 3.42Å; G76-A80 PolarHBondContact O-N 3.11Å; Y77-A80 PolarHBondContact O-N 2.83Å; A80-R83 WeakPolarHBondContact O-CB 3.34Å; A80-R83 PolarHBondContact O-N 2.81Å; A80-I84 VanDerWaalsContact O-CG1 3.29Å; A80-I84 WeakPolarHBondContact O-CG1 3.24Å; A80-I84 PolarHBondContact O-N 3.02Å; A80-L196 HydrophobicContact CB-CB 4.38Å; A80-L196 HydrophobicContact CB-CD1 4.13Å; A80-L196 HydrophobicContact CB-CD2 3.9Å; A80-L196 HydrophobicContact CB-CG 4.38Å
81	I	98.4	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-54.7	-179.1	-74.2	165.2	0	0	0	112.9	Y77 R83 I84 A85 L149 I205 F208 Y209 Y213	Y77-I81 WeakPolarHBondContact O-CG1 3.14Å; Y77-I81 PolarHBondContact O-N 2.94Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 2.56Å; I81-I84 WeakPolarHBondContact O-CB 3.45Å; I81-I84 PolarHBondContact O-N 2.99Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I81-A85 PolarHBondContact O-N 2.68Å; I81-L149 HydrophobicContact CG2-CD2 3.93Å; I81-I205 HydrophobicContact CD1-CG2 4.3Å; I81-I205 HydrophobicContact CG1-CG2 3.79Å; I81-F208 HydrophobicContact CD1-CD1 3.55Å; I81-F208 HydrophobicContact CD1-CE1 4.01Å; I81-Y209 HydrophobicContact CD1-CD2 4.38Å; I81-Y209 HydrophobicContact CG2-CD2 3.75Å; I81-Y209 HydrophobicContact CG2-CE2 4.23Å; I81-Y213 HydrophobicContact CD1-CE2 4.2Å; I81-Y213 HydrophobicContact CG2-CE1 3.87Å; I81-Y213 HydrophobicContact CG2-CE2 4.1Å
82	P	98.2	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-29.3	177.6	22.8	-31.5	0	0	0	112.8	S78 H79 A85 L86 V114 V116 T121 F123 V166	S78-P82 WeakPolarHBondContact O-CD 3.43Å; S78-P82 WeakPolarHBondContact O-CG 3.38Å; H79-P82 WeakPolarHBondContact O-CD 3.32Å; H79-P82 WeakPolarHBondContact O-CG 3.23Å; P82-A85 PolarHBondContact O-N 2.81Å; P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.47Å; P82-L86 PolarHBondContact O-N 2.84Å; P82-V114 HydrophobicContact CB-CB 4.08Å; P82-V114 HydrophobicContact CB-CG1 3.6Å; P82-V114 HydrophobicContact CB-CG2 4.03Å; P82-V114 HydrophobicContact CG-CG1 4.13Å; P82-V116 HydrophobicContact CG-CG1 3.77Å; P82-T121 HydrophobicContact CB-CG2 4.43Å; P82-T121 HydrophobicContact CG-CG2 4.34Å; P82-F123 HydrophobicContact CB-CZ 4.38Å; P82-V166 HydrophobicContact CB-CG2 3.98Å; P82-V166 HydrophobicContact CG-CG1 4.13Å; P82-V166 HydrophobicContact CG-CG2 4.09Å
83	R	97.5	Very high	95.9	Very high	43 Å²	43	29.1 Å²	29.1	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-45.6	170.2	-72.1	-178.1	64.5	164.9	-3.6	111.6	H79 A80 I81 A85 L86 T87 A159 L160 D164 V166	H79-R83 WeakPolarHBondContact O-CG 3.46Å; H79-R83 PolarHBondContact O-N 2.81Å; A80-R83 WeakPolarHBondContact O-CB 3.34Å; A80-R83 PolarHBondContact O-N 2.81Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 2.56Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.66Å; R83-L86 PolarHBondContact O-N 2.83Å; R83-T87 PolarHBondContact O-N 2.69Å; R83-A159 HydrophobicContact CB-CB 4.37Å; R83-A159 PolarHBondContact NH2-O 2.94Å; R83-L160 PolarHBondContact NH2-O 2.99Å; R83-D164 WeakPolarHBondContact CD-OD1 3.4Å; R83-D164 WeakPolarHBondContact CD-OD2 3.49Å; R83-D164 WeakPolarHBondContact CG-OD1 3.32Å; R83-D164 IonicContact CZ-OD2 3.3Å; R83-D164 IonicContact NE-OD1 3.39Å; R83-D164 IonicContact NE-OD2 2.87Å; R83-D164 PolarHBondContact NE-OD2 3.33Å; R83-D164 IonicContact NH1-OD2 2.86Å; R83-D164 PolarHBondContact NH1-OD2 3.43Å; R83-V166 HydrophobicContact CB-CG2 4.38Å; R83-V166 HydrophobicContact CG-CB 4.19Å; R83-V166 HydrophobicContact CG-CG2 3.53Å
84	I	98.1	Very high	95.9	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-46	175.2	-65.2	162.1	0	0	0	109.9	A80 I81 L86 T87 L149 I156 A159	A80-I84 VanDerWaalsContact O-CG1 3.29Å; A80-I84 WeakPolarHBondContact O-CG1 3.24Å; A80-I84 PolarHBondContact O-N 3.02Å; I81-I84 WeakPolarHBondContact O-CB 3.45Å; I81-I84 PolarHBondContact O-N 2.99Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I84-L86 PolarHBondContact O-N 3.26Å; I84-T87 PolarHBondContact O-N 3.29Å; I84-T87 VanDerWaalsContact O-N 3.15Å; I84-T87 PolarHBondContact O-OG1 3.5Å; I84-L149 HydrophobicContact CB-CD2 4.37Å; I84-L149 HydrophobicContact CG2-CD1 4.12Å; I84-L149 HydrophobicContact CG2-CD2 4.16Å; I84-L149 HydrophobicContact CG2-CG 4.2Å; I84-I156 HydrophobicContact CD1-CG1 3.8Å; I84-A159 HydrophobicContact CB-CB 4.42Å; I84-A159 HydrophobicContact CG1-CB 3.82Å
85	A	97.9	Very high	95.8	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-44	178.6	0	0	0	0	0	113.2	I81 P82 R83 T87 Q88 F123 Y141 A145 L149	I81-A85 PolarHBondContact O-N 2.68Å; P82-A85 PolarHBondContact O-N 2.81Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.66Å; A85-T87 PolarHBondContact O-N 2.92Å; A85-Q88 PolarHBondContact O-N 3.41Å; A85-F123 HydrophobicContact CB-CE1 4.47Å; A85-Y141 PolarHBondContact O-OH 3.29Å; A85-A145 HydrophobicContact CB-CB 3.93Å; A85-L149 VanDerWaalsContact CA-CD1 3.46Å; A85-L149 HydrophobicContact CB-CD1 3.76Å; A85-L149 HydrophobicContact CB-CD2 4.45Å
86	L	96.9	Very high	95.9	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.073	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-18	179.6	-71.3	170.6	0	0	0	113.9	P82 R83 I84 W101 P113 V114 M165 V166	P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.47Å; P82-L86 PolarHBondContact O-N 2.84Å; R83-L86 PolarHBondContact O-N 2.83Å; I84-L86 PolarHBondContact O-N 3.26Å; L86-W101 HydrophobicContact CD2-CH2 3.35Å; L86-W101 HydrophobicContact CD2-CZ2 3.53Å; L86-W101 HydrophobicContact CD2-CZ3 4.26Å; L86-P113 HydrophobicContact CD1-CB 4.24Å; L86-P113 HydrophobicContact CD2-CB 3.59Å; L86-P113 HydrophobicContact CD2-CG 4.47Å; L86-V114 HydrophobicContact CD1-CB 4.47Å; L86-V114 HydrophobicContact CD1-CG2 3.98Å; L86-V114 HydrophobicContact CD2-CG2 4.19Å; L86-V114 HydrophobicContact CG-CG2 4.18Å; L86-M165 HydrophobicContact CB-CE 3.97Å; L86-M165 HydrophobicContact CD1-CB 3.9Å; L86-M165 HydrophobicContact CD1-CE 4.41Å; L86-M165 HydrophobicContact CD2-CE 4.5Å; L86-V166 HydrophobicContact CD1-CG2 3.68Å
87	T	95.8	Very high	95.7	Very high	39 Å²	39	28.7 Å²	28.7	24%	0.239	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1	174.4	67	0	0	0	0	114.3	R83 I84 A85 H158 A159	R83-T87 PolarHBondContact O-N 2.69Å; I84-T87 PolarHBondContact O-N 3.29Å; I84-T87 VanDerWaalsContact O-N 3.15Å; I84-T87 PolarHBondContact O-OG1 3.5Å; A85-T87 PolarHBondContact O-N 2.92Å; T87-H158 WeakPolarHBondContact CB-ND1 3.37Å; T87-A159 HydrophobicContact CG2-CB 4.2Å
88	Q	95.4	Very high	95.5	Very high	41 Å²	41	36.3 Å²	36.3	19%	0.192	22%	0.217	C	C	.	.	S	Bend	trans	-109.9	152.7	-179.6	-64.1	-178.9	30.3	0	0	110.8	A85 G90 T150	A85-Q88 PolarHBondContact O-N 3.41Å; Q88-G90 PolarHBondContact O-N 3.19Å; Q88-T150 PolarHBondContact NE2-O 2.95Å
89	S	92.4	Very high	95.4	Very high	51 Å²	51	37.7 Å²	37.7	36%	0.357	23%	0.226	S	C	.	.			trans	-77.1	-8.5	179	70.2	0	0	0	0	113.8	G91 L92	S89-G91 VanDerWaalsContact C-N 3.28Å; S89-G91 PolarHBondContact O-N 3.46Å; S89-L92 WeakPolarHBondContact CB-O 3.4Å; S89-L92 VanDerWaalsContact O-CB 3.26Å; S89-L92 WeakPolarHBondContact O-CB 3.38Å; S89-L92 WeakPolarHBondContact O-CG 3.23Å; S89-L92 PolarHBondContact O-N 2.96Å; S89-L92 VanDerWaalsContact O-N 3.12Å; S89-L92 PolarHBondContact OG-O 3.07Å
90	G	89.6	Confident	95.3	Very high	8 Å²	8	36.8 Å²	36.8	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	36.4	-178.8	0	0	0	0	0	113.4	Q88 L92 N144	Q88-G90 PolarHBondContact O-N 3.19Å; G90-L92 PolarHBondContact O-N 3.21Å; G90-N144 VanDerWaalsContact C-CG 3.49Å; G90-N144 VanDerWaalsContact CA-CB 3.49Å; G90-N144 WeakPolarHBondContact O-CB 2.98Å; G90-N144 PolarHBondContact O-ND2 2.78Å
91	G	89.8	Confident	95.2	Very high	63 Å²	63	39 Å²	39	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-0.9	-178.6	0	0	0	0	0	114.9	S89	S89-G91 VanDerWaalsContact C-N 3.28Å; S89-G91 PolarHBondContact O-N 3.46Å
92	L	96	Very high	95	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.068	27%	0.265	C	S	.	.			trans	-78.8	153.1	171.9	-56.9	179.8	0	0	0	110.8	S89 G90 Q96 A97 L100 E137	S89-L92 WeakPolarHBondContact CB-O 3.4Å; S89-L92 VanDerWaalsContact O-CB 3.26Å; S89-L92 WeakPolarHBondContact O-CB 3.38Å; S89-L92 WeakPolarHBondContact O-CG 3.23Å; S89-L92 PolarHBondContact O-N 2.96Å; S89-L92 VanDerWaalsContact O-N 3.12Å; S89-L92 PolarHBondContact OG-O 3.07Å; G90-L92 PolarHBondContact O-N 3.21Å; L92-Q96 HydrophobicContact CB-CB 3.91Å; L92-Q96 HydrophobicContact CD1-CB 4.46Å; L92-Q96 HydrophobicContact CD2-CB 4.5Å; L92-A97 HydrophobicContact CB-CB 4.23Å; L92-L100 HydrophobicContact CD1-CD2 3.88Å; L92-E137 HydrophobicContact CD1-CB 4.13Å; L92-E137 HydrophobicContact CD2-CB 4.04Å; L92-E137 HydrophobicContact CD2-CG 4.08Å
93	D	95.5	Very high	94.9	Very high	82 Å²	82	49.4 Å²	49.4	44%	0.439	28%	0.277	S	S	.	.			trans	-69.7	166	166.3	75.2	48	0	0	0	111.3	A95 Q96 A97	D93-A95 PolarHBondContact O-N 2.85Å; D93-A95 WeakPolarHBondContact OD1-CA 3.38Å; D93-A95 WeakPolarHBondContact OD1-CB 3.23Å; D93-A95 PolarHBondContact OD1-N 3.43Å; D93-Q96 VanDerWaalsContact N-OE1 3.13Å; D93-Q96 PolarHBondContact O-N 3.43Å; D93-Q96 WeakPolarHBondContact OD1-CG 3.21Å; D93-Q96 PolarHBondContact OD1-N 2.9Å; D93-Q96 WeakPolarHBondContact OD2-CG 3.26Å; D93-Q96 PolarHBondContact OD2-OE1 2.9Å; D93-A97 WeakPolarHBondContact O-CB 3.39Å; D93-A97 PolarHBondContact O-N 2.92Å
94	A	92.2	Very high	94.9	Very high	70 Å²	70	47.4 Å²	47.4	58%	0.579	27%	0.27	S	S	*	.	H	α-helix	trans	-65.2	-24.7	-175.8	0	0	0	0	0	113.8	R98	A94-R98 WeakPolarHBondContact O-CB 3.4Å; A94-R98 VanDerWaalsContact O-CG 3.25Å; A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.25Å; A94-R98 PolarHBondContact O-NE 2.89Å
95	A	94.4	Very high	94.9	Very high	57 Å²	57	50.1 Å²	50.1	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-78.3	-44.2	176.2	0	0	0	0	0	110.7	D93 R98 S99	D93-A95 PolarHBondContact O-N 2.85Å; D93-A95 WeakPolarHBondContact OD1-CA 3.38Å; D93-A95 WeakPolarHBondContact OD1-CB 3.23Å; D93-A95 PolarHBondContact OD1-N 3.43Å; A95-R98 PolarHBondContact O-N 2.96Å; A95-S99 VanDerWaalsContact O-CB 3.27Å; A95-S99 WeakPolarHBondContact O-CB 3.36Å; A95-S99 PolarHBondContact O-N 3.35Å
96	Q	96.4	Very high	94.8	Very high	62 Å²	62	50.6 Å²	50.6	29%	0.29	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-49.8	175.7	-69	179.2	-42.6	0	0	111.7	L92 D93 R98 S99 L100 E137	L92-Q96 HydrophobicContact CB-CB 3.91Å; L92-Q96 HydrophobicContact CD1-CB 4.46Å; L92-Q96 HydrophobicContact CD2-CB 4.5Å; D93-Q96 VanDerWaalsContact N-OE1 3.13Å; D93-Q96 PolarHBondContact O-N 3.43Å; D93-Q96 WeakPolarHBondContact OD1-CG 3.21Å; D93-Q96 PolarHBondContact OD1-N 2.9Å; D93-Q96 WeakPolarHBondContact OD2-CG 3.26Å; D93-Q96 PolarHBondContact OD2-OE1 2.9Å; Q96-R98 VanDerWaalsContact C-N 3.32Å; Q96-R98 PolarHBondContact O-N 3.44Å; Q96-S99 WeakPolarHBondContact O-CB 3.48Å; Q96-S99 PolarHBondContact O-N 3.03Å; Q96-S99 VanDerWaalsContact O-N 3.16Å; Q96-L100 WeakPolarHBondContact O-CB 3.31Å; Q96-L100 PolarHBondContact O-N 3.47Å; Q96-E137 WeakPolarHBondContact CG-OE1 3.27Å; Q96-E137 PolarHBondContact NE2-OE1 3.29Å
97	A	94.1	Very high	94.7	Very high	13 Å²	13	55.2 Å²	55.2	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-59.1	-43.3	178.7	0	0	0	0	0	111.9	L92 D93 W101	L92-A97 HydrophobicContact CB-CB 4.23Å; D93-A97 WeakPolarHBondContact O-CB 3.39Å; D93-A97 PolarHBondContact O-N 2.92Å; A97-W101 PolarHBondContact O-N 2.88Å; A97-W101 VanDerWaalsContact O-N 3.11Å
98	R	93.1	Very high	94.7	Very high	176 Å²	176	62 Å²	62	66%	0.664	34%	0.343	S	S	*	.	H	α-helix	trans	-64.4	-44.3	175.3	-75.9	-175.7	-65.4	177.6	2.9	112	A94 A95 Q96 W101 Q102	A94-R98 WeakPolarHBondContact O-CB 3.4Å; A94-R98 VanDerWaalsContact O-CG 3.25Å; A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.25Å; A94-R98 PolarHBondContact O-NE 2.89Å; A95-R98 PolarHBondContact O-N 2.96Å; Q96-R98 VanDerWaalsContact C-N 3.32Å; Q96-R98 PolarHBondContact O-N 3.44Å; R98-W101 PolarHBondContact O-N 3.16Å; R98-Q102 VanDerWaalsContact O-CB 3.27Å; R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.29Å
99	S	95.6	Very high	94.6	Very high	29 Å²	29	65.3 Å²	65.3	20%	0.203	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-45.2	178.3	177.1	0	0	0	0	111.8	A95 Q96 Q102 Q103	A95-S99 VanDerWaalsContact O-CB 3.27Å; A95-S99 WeakPolarHBondContact O-CB 3.36Å; A95-S99 PolarHBondContact O-N 3.35Å; Q96-S99 WeakPolarHBondContact O-CB 3.48Å; Q96-S99 PolarHBondContact O-N 3.03Å; Q96-S99 VanDerWaalsContact O-N 3.16Å; S99-Q102 PolarHBondContact O-N 3.19Å; S99-Q103 WeakPolarHBondContact O-CB 3.28Å; S99-Q103 WeakPolarHBondContact O-CG 3.33Å; S99-Q103 PolarHBondContact O-N 3.35Å; S99-Q103 VanDerWaalsContact O-N 3.15Å; S99-Q103 PolarHBondContact O-NE2 3.48Å; S99-Q103 PolarHBondContact OG-NE2 3.01Å
100	L	97	Very high	94.8	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-50.5	176.1	177.5	62.8	0	0	0	110.8	L92 Q96 Q103 G104 L125 L127 A138 Y141	L92-L100 HydrophobicContact CD1-CD2 3.88Å; Q96-L100 WeakPolarHBondContact O-CB 3.31Å; Q96-L100 PolarHBondContact O-N 3.47Å; L100-Q103 PolarHBondContact O-N 2.74Å; L100-G104 WeakPolarHBondContact O-CA 3.49Å; L100-G104 PolarHBondContact O-N 3.22Å; L100-L125 HydrophobicContact CD1-CD1 4.48Å; L100-L125 HydrophobicContact CD1-CD2 4.49Å; L100-L127 HydrophobicContact CD1-CD2 3.95Å; L100-A138 HydrophobicContact CD1-CB 3.94Å; L100-Y141 HydrophobicContact CD2-CD1 4.46Å; L100-Y141 HydrophobicContact CD2-CG 4.06Å
101	W	94.3	Very high	95.1	Very high	55 Å²	55	70.6 Å²	70.6	21%	0.208	38%	0.38	C	S	.	.	H	α-helix	trans	-71.1	-33.6	-178	-73	121.6	0	0	0	114.1	L86 A97 R98 Q103 P113 L125 Y141	L86-W101 HydrophobicContact CD2-CH2 3.35Å; L86-W101 HydrophobicContact CD2-CZ2 3.53Å; L86-W101 HydrophobicContact CD2-CZ3 4.26Å; A97-W101 PolarHBondContact O-N 2.88Å; A97-W101 VanDerWaalsContact O-N 3.11Å; R98-W101 PolarHBondContact O-N 3.16Å; W101-Q103 VanDerWaalsContact C-N 3.25Å; W101-Q103 PolarHBondContact O-N 2.99Å; W101-P113 HydrophobicContact CH2-CB 3.86Å; W101-P113 HydrophobicContact CZ3-CB 3.65Å; W101-P113 HydrophobicContact CZ3-CG 3.94Å; W101-L125 HydrophobicContact CE3-CD2 4.47Å; W101-L125 HydrophobicContact CH2-CD2 4.35Å; W101-L125 HydrophobicContact CZ3-CD2 3.89Å; W101-Y141 HydrophobicContact CH2-CE1 4.01Å; W101-Y141 HydrophobicContact CZ2-CD1 4.46Å; W101-Y141 AromaticContact CZ2-CE1 3.73Å; W101-Y141 HydrophobicContact CZ2-CE1 3.73Å; W101-Y141 AromaticContact CZ2-CE2 3.93Å; W101-Y141 HydrophobicContact CZ2-CE2 3.93Å; W101-Y141 AromaticContact CZ2-CZ 3.45Å; W101-Y141 VanDerWaalsContact CZ2-CZ 3.45Å; W101-Y141 WeakPolarHBondContact CZ2-OH 3.35Å
102	Q	94.7	Very high	95.4	Very high	163 Å²	163	69.8 Å²	69.8	76%	0.762	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-30.2	176.1	-175.2	176.8	1.2	0	0	112.3	R98 S99	R98-Q102 VanDerWaalsContact O-CB 3.27Å; R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.29Å; S99-Q102 PolarHBondContact O-N 3.19Å
103	Q	97.1	Very high	95.5	Very high	54 Å²	54	69.9 Å²	69.9	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-113.5	-16.2	-171.4	-63.4	-180	77.6	0	0	113.8	R56 S99 L100 W101 I105 P128 L134	R56-Q103 PolarHBondContact NH2-O 3.48Å; S99-Q103 WeakPolarHBondContact O-CB 3.28Å; S99-Q103 WeakPolarHBondContact O-CG 3.33Å; S99-Q103 PolarHBondContact O-N 3.35Å; S99-Q103 VanDerWaalsContact O-N 3.15Å; S99-Q103 PolarHBondContact O-NE2 3.48Å; S99-Q103 PolarHBondContact OG-NE2 3.01Å; L100-Q103 PolarHBondContact O-N 2.74Å; W101-Q103 VanDerWaalsContact C-N 3.25Å; W101-Q103 PolarHBondContact O-N 2.99Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.42Å; Q103-P128 HydrophobicContact CB-CG 4.19Å; Q103-P128 WeakPolarHBondContact O-CD 3.2Å; Q103-L134 HydrophobicContact CB-CD1 3.89Å
104	G	97.4	Very high	95.7	Very high	1 Å²	1	66 Å²	66	1%	0.01	34%	0.344	C	S	.	.	S	Bend	trans	-84.4	7.4	-173.4	0	0	0	0	0	115	L100 S126	L100-G104 WeakPolarHBondContact O-CA 3.49Å; L100-G104 PolarHBondContact O-N 3.22Å; G104-S126 CarbonylContact C-O 3.57Å; G104-S126 WeakPolarHBondContact CA-O 3.4Å; G104-S126 PolarHBondContact O-N 2.92Å; G104-S126 VanDerWaalsContact O-O 3.06Å
105	I	96.8	Very high	96	Very high	60 Å²	60	64.1 Å²	64.1	31%	0.308	32%	0.324	S	S	.	.	S	Bend	trans	-118.1	132.5	174	-58.4	175.5	0	0	0	107.6	R56 Q103 P107 P110 P113	R56-I105 PolarHBondContact NH2-O 3.39Å; Q103-I105 VanDerWaalsContact C-N 3.27Å; Q103-I105 PolarHBondContact O-N 3.42Å; I105-P107 VanDerWaalsContact O-CD 3.32Å; I105-P107 WeakPolarHBondContact O-CD 3.41Å; I105-P110 HydrophobicContact CG2-CB 3.79Å; I105-P113 HydrophobicContact CD1-CG 4.4Å
106	D	96.4	Very high	96.2	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.064	30%	0.302	C	S	.	.			trans	-68.1	118.6	174.4	-176.7	-6.7	0	0	0	109.9	K108 R109 P110	D106-K108 PolarHBondContact O-N 3.46Å; D106-K108 WeakPolarHBondContact OD1-CB 3.38Å; D106-K108 PolarHBondContact OD1-N 2.81Å; D106-R109 CarbonylContact O-C 3.57Å; D106-R109 PolarHBondContact O-N 2.96Å; D106-R109 IonicContact OD2-NE 3.15Å; D106-P110 VanDerWaalsContact O-CA 3.23Å; D106-P110 WeakPolarHBondContact O-CA 3.39Å; D106-P110 VanDerWaalsContact O-N 3.08Å
107	P	94.7	Very high	96.3	Very high	110 Å²	110	58.9 Å²	58.9	71%	0.714	29%	0.291	S	S	*	.	S	Bend	trans	-67	-22.1	178.1	28.2	-36.2	0	0	0	113.5	I105	I105-P107 VanDerWaalsContact O-CD 3.32Å; I105-P107 WeakPolarHBondContact O-CD 3.41Å
108	K	95.1	Very high	96.5	Very high	181 Å²	181	58.3 Å²	58.3	79%	0.787	29%	0.286	S	S	*	.	S	Bend	trans	-85.9	-34.9	179.3	-65.2	179.5	179.9	177.7	0	112.3	D106	D106-K108 PolarHBondContact O-N 3.46Å; D106-K108 WeakPolarHBondContact OD1-CB 3.38Å; D106-K108 PolarHBondContact OD1-N 2.81Å
109	R	94.4	Very high	96.7	Very high	111 Å²	111	51.4 Å²	51.4	42%	0.419	26%	0.262	S	S	.	.	S	Bend	trans	-138.6	66.9	-175.8	-65.7	-176.8	-72.4	-125.3	5.5	110.1	D106 M111 D393 D395	D106-R109 CarbonylContact O-C 3.57Å; D106-R109 PolarHBondContact O-N 2.96Å; D106-R109 IonicContact OD2-NE 3.15Å; R109-M111 PolarHBondContact O-N 2.85Å; R109-D393 IonicContact CZ-OD2 3.65Å; R109-D393 IonicContact NH1-OD2 3.89Å; R109-D393 PolarHBondContact NH1-OD2 2.7Å; R109-D393 IonicContact NH2-OD2 2.99Å; R109-D393 PolarHBondContact NH2-OD2 3.22Å; R109-D395 IonicContact CZ-OD1 2.67Å; R109-D395 IonicContact CZ-OD2 2.76Å; R109-D395 IonicContact NE-OD1 2.69Å; R109-D395 IonicContact NE-OD2 3.42Å; R109-D395 PolarHBondContact NE-OD2 3.11Å; R109-D395 VanDerWaalsContact NE-OD2 3.15Å; R109-D395 IonicContact NH2-OD1 3.65Å; R109-D395 PolarHBondContact NH2-OD1 2.85Å; R109-D395 IonicContact NH2-OD2 3.73Å
110	P	95.7	Very high	96.8	Very high	94 Å²	94	51.4 Å²	51.4	61%	0.61	26%	0.261	S	S	*	.			trans	-63.6	132.6	-175.2	26	-34.5	0	0	0	110.9	I105 D106	I105-P110 HydrophobicContact CG2-CB 3.79Å; D106-P110 VanDerWaalsContact O-CA 3.23Å; D106-P110 WeakPolarHBondContact O-CA 3.39Å; D106-P110 VanDerWaalsContact O-N 3.08Å
111	M	96.2	Very high	96.9	Very high	76 Å²	76	51.4 Å²	51.4	37%	0.374	26%	0.261	S	S	.	.			trans	-108.2	148.5	168.1	-71.3	-172.4	67.9	0	0	109.9	R60 R109 I115 N124	R60-M111 PolarHBondContact NH2-SD 3.29Å; R109-M111 PolarHBondContact O-N 2.85Å; M111-I115 HydrophobicContact CE-CD1 3.86Å; M111-N124 HydrophobicContact CB-CB 4.33Å; M111-N124 HydrophobicContact CE-CB 4.47Å; M111-N124 WeakPolarHBondContact CE-OD1 3.35Å
112	P	97.6	Very high	97.1	Very high	47 Å²	47	49.9 Å²	49.9	31%	0.305	26%	0.257	S	S	.	.			trans	-55	135.3	167.4	-24.8	34.7	0	0	0	110.8	V114 I115 N124 A167	P112-V114 PolarHBondContact O-N 3.19Å; P112-V114 VanDerWaalsContact O-N 3.1Å; P112-I115 HydrophobicContact CB-CG1 4.14Å; P112-I115 HydrophobicContact CG-CG1 4.33Å; P112-N124 WeakPolarHBondContact O-CB 3.34Å; P112-N124 PolarHBondContact O-ND2 3.1Å; P112-A167 HydrophobicContact CB-CB 3.57Å; P112-A167 HydrophobicContact CG-CB 3.44Å; P112-A167 VanDerWaalsContact CG-CB 3.44Å
113	P	97.8	Very high	97.3	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-51.3	-34.6	177	-32.7	38.1	0	0	0	113.9	L86 W101 I105 F123 N124 M165	L86-P113 HydrophobicContact CD1-CB 4.24Å; L86-P113 HydrophobicContact CD2-CB 3.59Å; L86-P113 HydrophobicContact CD2-CG 4.47Å; W101-P113 HydrophobicContact CH2-CB 3.86Å; W101-P113 HydrophobicContact CZ3-CB 3.65Å; W101-P113 HydrophobicContact CZ3-CG 3.94Å; I105-P113 HydrophobicContact CD1-CG 4.4Å; P113-F123 WeakPolarHBondContact O-CA 3.26Å; P113-N124 PolarHBondContact O-N 3.39Å; P113-M165 HydrophobicContact CG-CB 4.42Å
114	V	98.6	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.5	173.3	-173.6	0	0	0	0	110.3	P82 L86 P112 V116 T121 L122 F123 V166 A167	P82-V114 HydrophobicContact CB-CB 4.08Å; P82-V114 HydrophobicContact CB-CG1 3.6Å; P82-V114 HydrophobicContact CB-CG2 4.03Å; P82-V114 HydrophobicContact CG-CG1 4.13Å; L86-V114 HydrophobicContact CD1-CB 4.47Å; L86-V114 HydrophobicContact CD1-CG2 3.98Å; L86-V114 HydrophobicContact CD2-CG2 4.19Å; L86-V114 HydrophobicContact CG-CG2 4.18Å; P112-V114 PolarHBondContact O-N 3.19Å; P112-V114 VanDerWaalsContact O-N 3.1Å; V114-V116 HydrophobicContact CG1-CG1 4.33Å; V114-T121 HydrophobicContact CG1-CG2 3.72Å; V114-L122 CarbonylContact C-O 3.58Å; V114-L122 VanDerWaalsContact CA-O 3.24Å; V114-L122 WeakPolarHBondContact CA-O 3.36Å; V114-L122 WeakPolarHBondContact CG1-O 3.24Å; V114-F123 HydrophobicContact CG2-CD1 3.44Å; V114-F123 VanDerWaalsContact CG2-CD1 3.44Å; V114-F123 HydrophobicContact CG2-CE1 3.63Å; V114-F123 HydrophobicContact CG2-CG 4.13Å; V114-F123 HydrophobicContact CG2-CZ 4.47Å; V114-V166 HydrophobicContact CB-CG1 4.19Å; V114-V166 HydrophobicContact CB-CG2 4.24Å; V114-V166 HydrophobicContact CG1-CG1 4.19Å; V114-A167 PolarHBondContact O-N 3.25Å
115	I	98.7	Very high	97.4	Very high	32 Å²	32	40.1 Å²	40.1	16%	0.164	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.5	169.7	-59.7	169.6	0	0	0	108.2	M111 P112 L122 A167 W169	M111-I115 HydrophobicContact CE-CD1 3.86Å; P112-I115 HydrophobicContact CB-CG1 4.14Å; P112-I115 HydrophobicContact CG-CG1 4.33Å; I115-L122 HydrophobicContact CB-CB 4.44Å; I115-L122 PolarHBondContact N-O 3.28Å; I115-L122 PolarHBondContact O-N 3.16Å; I115-A167 CarbonylContact C-O 3.59Å; I115-A167 VanDerWaalsContact CA-O 3.28Å; I115-A167 WeakPolarHBondContact CA-O 3.11Å; I115-A167 HydrophobicContact CG1-CB 4.4Å; I115-W169 HydrophobicContact CG2-CB 3.8Å
116	V	98.7	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.3	172.6	-62.8	0	0	0	0	110.8	H79 P82 V114 T121 V166 A167 T168 W169 P192	H79-V116 HydrophobicContact CB-CG2 4.5Å; P82-V116 HydrophobicContact CG-CG1 3.77Å; V114-V116 HydrophobicContact CG1-CG1 4.33Å; V116-T121 HydrophobicContact CG1-CG2 4.02Å; V116-V166 HydrophobicContact CB-CG1 4.47Å; V116-V166 HydrophobicContact CG1-CG1 3.8Å; V116-V166 HydrophobicContact CG2-CG1 4Å; V116-A167 PolarHBondContact N-O 3.42Å; V116-T168 HydrophobicContact CG2-CG2 4.01Å; V116-T168 CarbonylContact O-C 3.52Å; V116-T168 VanDerWaalsContact O-CA 3.22Å; V116-T168 WeakPolarHBondContact O-CA 3.32Å; V116-W169 PolarHBondContact O-N 3.04Å; V116-P192 HydrophobicContact CG2-CB 4.19Å
117	S	98.1	Very high	97.6	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	20%	0.197	C	C	.	.			trans	-127.8	-179.7	177.8	169.8	0	0	0	0	108.5	G66 S67 D119 T120 Y331	G66-S117 WeakPolarHBondContact CA-O 3.37Å; S67-S117 PolarHBondContact N-O 3.32Å; S117-D119 PolarHBondContact O-N 3.15Å; S117-D119 PolarHBondContact OG-OD1 3.22Å; S117-T120 PolarHBondContact N-O 2.82Å; S117-Y331 PolarHBondContact OG-OH 3.4Å
118	Y	98.1	Very high	97.7	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.172	C	C	.	.	S	Bend	trans	-58.5	-35	172.5	-66.1	-97	0	0	0	112.6	G66 S67 L68 W178 L182 L187 H190 P192 Y331	G66-Y118 CarbonylContact C-O 3.57Å; G66-Y118 VanDerWaalsContact CA-O 3.3Å; G66-Y118 WeakPolarHBondContact CA-O 3.2Å; S67-Y118 PolarHBondContact N-O 2.99Å; S67-Y118 WeakPolarHBondContact OG-CA 3.32Å; L68-Y118 WeakPolarHBondContact CB-O 3.49Å; L68-Y118 PolarHBondContact N-O 3.2Å; Y118-W178 HydrophobicContact CD2-CZ2 4.28Å; Y118-W178 AromaticContact CE2-CE2 3.9Å; Y118-W178 AromaticContact CE2-CZ2 3.6Å; Y118-W178 HydrophobicContact CE2-CZ2 3.6Å; Y118-W178 AromaticContact CE2-NE1 3.6Å; Y118-W178 AromaticContact CZ-NE1 3.63Å; Y118-W178 PolarHBondContact OH-NE1 3.17Å; Y118-L182 HydrophobicContact CE1-CD2 4.22Å; Y118-L182 WeakPolarHBondContact OH-CD1 3.43Å; Y118-L187 HydrophobicContact CD1-CB 3.68Å; Y118-L187 HydrophobicContact CD1-CD1 4.44Å; Y118-L187 HydrophobicContact CD1-CD2 3.94Å; Y118-L187 HydrophobicContact CD1-CG 4.23Å; Y118-L187 HydrophobicContact CE1-CB 3.8Å; Y118-L187 WeakPolarHBondContact CE1-O 3.47Å; Y118-L187 HydrophobicContact CG-CB 4.35Å; Y118-L187 HydrophobicContact CG-CD1 4.31Å; Y118-L187 HydrophobicContact CG-CD2 4Å; Y118-L187 HydrophobicContact CG-CG 4.45Å; Y118-H190 HydrophobicContact CD1-CB 4.24Å; Y118-H190 WeakPolarHBondContact CD1-O 3.28Å; Y118-H190 WeakPolarHBondContact CE1-O 3.27Å; Y118-P192 HydrophobicContact CD2-CG 4.13Å; Y118-P192 HydrophobicContact CE2-CG 3.98Å; Y118-P192 VanDerWaalsContact CZ-CD 3.49Å; Y118-Y331 HydrophobicContact CD2-CE2 4.37Å; Y118-Y331 VanDerWaalsContact CD2-OH 3.22Å; Y118-Y331 WeakPolarHBondContact CD2-OH 3.44Å
119	D	97.4	Very high	97.8	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.16	15%	0.149	C	C	.	.	S	Bend	trans	-119.6	-14.1	-170.3	61.8	-28.1	0	0	0	114.3	N64 T65 G66 S117 P253	N64-D119 CarbonylContact C-O 3.55Å; N64-D119 PolarHBondContact OD1-O 3.37Å; T65-D119 CarbonylContact C-O 3.58Å; T65-D119 WeakPolarHBondContact CA-O 3.49Å; T65-D119 PolarHBondContact N-O 3.48Å; G66-D119 PolarHBondContact N-O 3.49Å; S117-D119 PolarHBondContact O-N 3.15Å; S117-D119 PolarHBondContact OG-OD1 3.22Å; D119-P253 HydrophobicContact CB-CB 4.12Å; D119-P253 HydrophobicContact CB-CG 3.75Å
120	T	97.9	Very high	97.7	Very high	30 Å²	30	27.2 Å²	27.2	18%	0.184	16%	0.156	C	C	.	.			trans	-139.3	143.2	-169.4	-57.4	0	0	0	0	111.9	L62 V63 T65 S117	L62-T120 HydrophobicContact CB-CG2 4.37Å; L62-T120 HydrophobicContact CD2-CG2 4.38Å; L62-T120 HydrophobicContact CG-CG2 4.48Å; V63-T120 WeakPolarHBondContact O-CA 3.23Å; T65-T120 CarbonylContact O-C 3.55Å; S117-T120 PolarHBondContact N-O 2.82Å
121	T	98.7	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.4	160.7	-58.6	0	0	0	0	108.1	V63 T65 P82 V114 V116 F123 Y213	V63-T121 PolarHBondContact N-O 3.33Å; V63-T121 PolarHBondContact O-N 3.41Å; T65-T121 PolarHBondContact O-N 2.77Å; T65-T121 PolarHBondContact O-OG1 2.92Å; P82-T121 HydrophobicContact CB-CG2 4.43Å; P82-T121 HydrophobicContact CG-CG2 4.34Å; V114-T121 HydrophobicContact CG1-CG2 3.72Å; V116-T121 HydrophobicContact CG1-CG2 4.02Å; T121-F123 HydrophobicContact CG2-CD2 4.39Å; T121-F123 HydrophobicContact CG2-CE2 3.82Å; T121-F123 HydrophobicContact CG2-CZ 4.32Å; T121-Y213 WeakPolarHBondContact CG2-OH 3.4Å; T121-Y213 PolarHBondContact OG1-OH 2.95Å
122	L	98.8	Very high	97.6	Very high	23 Å²	23	27.1 Å²	27.1	12%	0.12	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.9	-174.9	174.2	65.3	0	0	0	110.3	R60 L62 V114 I115 N124 M402	R60-L122 HydrophobicContact CB-CD1 3.94Å; R60-L122 HydrophobicContact CG-CD1 4.39Å; L62-L122 HydrophobicContact CD1-CD1 4.18Å; L62-L122 HydrophobicContact CG-CD1 4Å; V114-L122 CarbonylContact C-O 3.58Å; V114-L122 VanDerWaalsContact CA-O 3.24Å; V114-L122 WeakPolarHBondContact CA-O 3.36Å; V114-L122 WeakPolarHBondContact CG1-O 3.24Å; I115-L122 HydrophobicContact CB-CB 4.44Å; I115-L122 PolarHBondContact N-O 3.28Å; I115-L122 PolarHBondContact O-N 3.16Å; L122-N124 VanDerWaalsContact CD2-OD1 3.29Å; L122-N124 WeakPolarHBondContact CD2-OD1 3.38Å; L122-N124 WeakPolarHBondContact CG-OD1 3.31Å; L122-M402 HydrophobicContact CD1-CE 3.89Å; L122-M402 HydrophobicContact CD2-CE 4.19Å
123	F	98.7	Very high	97.5	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.2	169.4	-63.4	-100.6	0	0	0	109.9	R60 L61 V63 P82 A85 P113 V114 T121 L142 A145 T146 Y213	R60-F123 WeakPolarHBondContact CA-O 3.04Å; L61-F123 HydrophobicContact CB-CB 4.27Å; L61-F123 PolarHBondContact N-O 3.23Å; L61-F123 VanDerWaalsContact N-O 3.11Å; L61-F123 PolarHBondContact O-N 3.5Å; V63-F123 HydrophobicContact CG2-CE2 4.3Å; P82-F123 HydrophobicContact CB-CZ 4.38Å; A85-F123 HydrophobicContact CB-CE1 4.47Å; P113-F123 WeakPolarHBondContact O-CA 3.26Å; V114-F123 HydrophobicContact CG2-CD1 3.44Å; V114-F123 VanDerWaalsContact CG2-CD1 3.44Å; V114-F123 HydrophobicContact CG2-CE1 3.63Å; V114-F123 HydrophobicContact CG2-CG 4.13Å; V114-F123 HydrophobicContact CG2-CZ 4.47Å; T121-F123 HydrophobicContact CG2-CD2 4.39Å; T121-F123 HydrophobicContact CG2-CE2 3.82Å; T121-F123 HydrophobicContact CG2-CZ 4.32Å; F123-L142 HydrophobicContact CB-CD2 3.46Å; F123-L142 VanDerWaalsContact CB-CD2 3.46Å; F123-L142 HydrophobicContact CD1-CD2 4.11Å; F123-L142 HydrophobicContact CG-CD2 3.89Å; F123-A145 HydrophobicContact CE1-CB 4.03Å; F123-A145 HydrophobicContact CZ-CB 4.38Å; F123-T146 HydrophobicContact CD2-CG2 4.19Å; F123-T146 HydrophobicContact CE2-CG2 3.62Å; F123-T146 HydrophobicContact CZ-CG2 4.03Å; F123-Y213 HydrophobicContact CE2-CE1 4.45Å
124	N	98.5	Very high	97.5	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.7	-176.6	-54.2	-71.5	0	0	0	110.9	R60 M111 P112 P113 L122	R60-N124 WeakPolarHBondContact CD-OD1 3.18Å; R60-N124 PolarHBondContact NE-OD1 3.38Å; M111-N124 HydrophobicContact CB-CB 4.33Å; M111-N124 HydrophobicContact CE-CB 4.47Å; M111-N124 WeakPolarHBondContact CE-OD1 3.35Å; P112-N124 WeakPolarHBondContact O-CB 3.34Å; P112-N124 PolarHBondContact O-ND2 3.1Å; P113-N124 PolarHBondContact O-N 3.39Å; L122-N124 VanDerWaalsContact CD2-OD1 3.29Å; L122-N124 WeakPolarHBondContact CD2-OD1 3.38Å; L122-N124 WeakPolarHBondContact CG-OD1 3.31Å
125	L	98.4	Very high	97.4	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.3	167.9	-68.2	168.5	0	0	0	109.2	I59 R60 L100 W101 L127 A138 L142	I59-L125 HydrophobicContact CB-CB 4.27Å; I59-L125 PolarHBondContact N-O 3.32Å; I59-L125 PolarHBondContact O-N 2.83Å; I59-L125 VanDerWaalsContact O-O 3.06Å; R60-L125 PolarHBondContact NH1-O 3.04Å; L100-L125 HydrophobicContact CD1-CD1 4.48Å; L100-L125 HydrophobicContact CD1-CD2 4.49Å; W101-L125 HydrophobicContact CE3-CD2 4.47Å; W101-L125 HydrophobicContact CH2-CD2 4.35Å; W101-L125 HydrophobicContact CZ3-CD2 3.89Å; L125-L127 HydrophobicContact CB-CD2 4.46Å; L125-A138 HydrophobicContact CD1-CB 3.64Å; L125-L142 HydrophobicContact CD1-CD1 4.19Å; L125-L142 HydrophobicContact CD1-CD2 4.35Å; L125-L142 HydrophobicContact CD1-CG 4.16Å
126	S	98.5	Very high	97.3	Very high	8 Å²	8	32.7 Å²	32.7	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.5	171.5	176.3	0	0	0	0	106.7	R56 E58 G104	R56-S126 WeakPolarHBondContact CB-OG 3.29Å; R56-S126 WeakPolarHBondContact CD-OG 3.3Å; R56-S126 PolarHBondContact NE-OG 3.41Å; R56-S126 PolarHBondContact NH2-O 3.06Å; E58-S126 VanDerWaalsContact OE1-CB 3.24Å; E58-S126 WeakPolarHBondContact OE1-CB 3.42Å; E58-S126 PolarHBondContact OE1-OG 2.91Å; E58-S126 WeakPolarHBondContact OE2-CB 3.43Å; G104-S126 CarbonylContact C-O 3.57Å; G104-S126 WeakPolarHBondContact CA-O 3.4Å; G104-S126 PolarHBondContact O-N 2.92Å; G104-S126 VanDerWaalsContact O-O 3.06Å
127	L	98.5	Very high	97.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	150.1	-174.9	-50.9	-178.4	0	0	0	110.9	R56 V57 I59 L100 L125 L134 L135 A138	R56-L127 CarbonylContact C-O 3.48Å; R56-L127 WeakPolarHBondContact CA-O 3.28Å; R56-L127 WeakPolarHBondContact CB-O 3.48Å; V57-L127 HydrophobicContact CB-CB 4.31Å; V57-L127 PolarHBondContact N-O 2.92Å; V57-L127 PolarHBondContact O-N 3.22Å; I59-L127 HydrophobicContact CD1-CD1 3.57Å; I59-L127 HydrophobicContact CD1-CG 4.05Å; L100-L127 HydrophobicContact CD1-CD2 3.95Å; L125-L127 HydrophobicContact CB-CD2 4.46Å; L127-L134 HydrophobicContact CD1-CB 4.12Å; L127-L134 HydrophobicContact CD2-CB 4.41Å; L127-L135 HydrophobicContact CD1-CB 4.14Å; L127-L135 HydrophobicContact CD1-CD1 4.36Å; L127-A138 HydrophobicContact CD1-CB 4.07Å; L127-A138 HydrophobicContact CD2-CB 4.46Å
128	P	97.8	Very high	97.3	Very high	31 Å²	31	33.3 Å²	33.3	20%	0.201	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-58.1	150.9	168.8	-18.9	32.1	0	0	0	111.5	Q103 R131 L134	Q103-P128 HydrophobicContact CB-CG 4.19Å; Q103-P128 WeakPolarHBondContact O-CD 3.2Å; P128-R131 HydrophobicContact CB-CG 4.11Å; P128-L134 HydrophobicContact CG-CD1 4.42Å
129	N	95.9	Very high	97.3	Very high	56 Å²	56	33.3 Å²	33.3	30%	0.299	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	156.6	173.2	61.7	73.8	0	0	0	111.8	P53 S54 D55 R131	P53-N129 WeakPolarHBondContact O-CB 3.24Å; S54-N129 PolarHBondContact O-ND2 3.26Å; D55-N129 WeakPolarHBondContact O-CB 3.3Å; N129-R131 PolarHBondContact O-N 2.91Å; N129-R131 VanDerWaalsContact O-N 3.12Å
130	N	92.9	Very high	97.3	Very high	106 Å²	106	33.6 Å²	33.6	57%	0.567	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	23.6	173.7	-56.6	-52.7	0	0	0	115.3
131	R	95.1	Very high	97.3	Very high	69 Å²	69	32.3 Å²	32.3	26%	0.26	17%	0.165	S	C	.	.			trans	-109.5	69.8	177.5	-68.2	-62.1	-61	-77.5	-2.1	112.6	P128 N129 D133 L134 L135	P128-R131 HydrophobicContact CB-CG 4.11Å; N129-R131 PolarHBondContact O-N 2.91Å; N129-R131 VanDerWaalsContact O-N 3.12Å; R131-D133 VanDerWaalsContact C-OD1 3.3Å; R131-D133 WeakPolarHBondContact CA-OD1 3.49Å; R131-D133 IonicContact CZ-OD1 3.78Å; R131-D133 IonicContact CZ-OD2 3.35Å; R131-D133 IonicContact NE-OD1 2.87Å; R131-D133 PolarHBondContact NE-OD1 2.79Å; R131-D133 IonicContact NE-OD2 3.17Å; R131-D133 PolarHBondContact NE-OD2 3.01Å; R131-D133 VanDerWaalsContact NE-OD2 3.17Å; R131-D133 IonicContact NH2-OD1 3.85Å; R131-D133 IonicContact NH2-OD2 2.71Å; R131-D133 PolarHBondContact NH2-OD2 2.83Å; R131-D133 PolarHBondContact O-N 2.86Å; R131-L134 HydrophobicContact CB-CB 4.02Å; R131-L134 HydrophobicContact CB-CD1 3.88Å; R131-L134 HydrophobicContact CB-CG 4.03Å; R131-L134 HydrophobicContact CG-CD1 4.1Å; R131-L134 PolarHBondContact O-N 3.15Å; R131-L135 PolarHBondContact O-N 3.29Å
132	N	94.8	Very high	97.3	Very high	98 Å²	98	32.3 Å²	32.3	52%	0.524	17%	0.165	S	C	.	.	H	α-helix	trans	-62.5	-27.5	178.7	-69.6	-23.8	0	0	0	113.1	K136	N132-K136 PolarHBondContact O-N 3.05Å
133	D	95.3	Very high	97.2	Very high	74 Å²	74	31.3 Å²	31.3	40%	0.396	16%	0.16	S	C	.	.	H	α-helix	trans	-61.7	-52.8	171	58.8	-45.5	0	0	0	111.3	R131 L135 K136 E137	R131-D133 VanDerWaalsContact C-OD1 3.3Å; R131-D133 WeakPolarHBondContact CA-OD1 3.49Å; R131-D133 IonicContact CZ-OD1 3.78Å; R131-D133 IonicContact CZ-OD2 3.35Å; R131-D133 IonicContact NE-OD1 2.87Å; R131-D133 PolarHBondContact NE-OD1 2.79Å; R131-D133 IonicContact NE-OD2 3.17Å; R131-D133 PolarHBondContact NE-OD2 3.01Å; R131-D133 VanDerWaalsContact NE-OD2 3.17Å; R131-D133 IonicContact NH2-OD1 3.85Å; R131-D133 IonicContact NH2-OD2 2.71Å; R131-D133 PolarHBondContact NH2-OD2 2.83Å; R131-D133 PolarHBondContact O-N 2.86Å; D133-L135 VanDerWaalsContact C-N 3.28Å; D133-L135 PolarHBondContact O-N 3.09Å; D133-K136 PolarHBondContact O-N 3.04Å; D133-E137 WeakPolarHBondContact O-CG 3.3Å; D133-E137 PolarHBondContact O-N 2.72Å
134	L	97.4	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-33.4	177.8	-67.7	-179	0	0	0	112.2	Q103 L127 P128 R131 E137 A138	Q103-L134 HydrophobicContact CB-CD1 3.89Å; L127-L134 HydrophobicContact CD1-CB 4.12Å; L127-L134 HydrophobicContact CD2-CB 4.41Å; P128-L134 HydrophobicContact CG-CD1 4.42Å; R131-L134 HydrophobicContact CB-CB 4.02Å; R131-L134 HydrophobicContact CB-CD1 3.88Å; R131-L134 HydrophobicContact CB-CG 4.03Å; R131-L134 HydrophobicContact CG-CD1 4.1Å; R131-L134 PolarHBondContact O-N 3.15Å; L134-E137 WeakPolarHBondContact CD2-OE2 3.37Å; L134-E137 PolarHBondContact O-N 2.74Å; L134-A138 VanDerWaalsContact O-CB 3.23Å; L134-A138 WeakPolarHBondContact O-CB 3.33Å; L134-A138 PolarHBondContact O-N 3.23Å
135	L	97.8	Very high	97.1	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-47.4	176	178.2	56.5	0	0	0	111.1	I59 L127 R131 D133 E137 A138 L139 V226 V231	I59-L135 HydrophobicContact CD1-CD1 3.47Å; I59-L135 VanDerWaalsContact CD1-CD1 3.47Å; I59-L135 HydrophobicContact CG1-CD1 4.3Å; L127-L135 HydrophobicContact CD1-CB 4.14Å; L127-L135 HydrophobicContact CD1-CD1 4.36Å; R131-L135 PolarHBondContact O-N 3.29Å; D133-L135 VanDerWaalsContact C-N 3.28Å; D133-L135 PolarHBondContact O-N 3.09Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.85Å; L135-A138 PolarHBondContact O-N 2.82Å; L135-L139 HydrophobicContact CD1-CD1 4.44Å; L135-L139 HydrophobicContact CD1-CG 4.31Å; L135-L139 VanDerWaalsContact O-CG 3.32Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.41Å; L135-V226 HydrophobicContact CD2-CG1 4.06Å; L135-V231 HydrophobicContact CD2-CG2 3.66Å
136	K	96.7	Very high	97.1	Very high	132 Å²	132	32.3 Å²	32.3	57%	0.574	17%	0.166	S	C	*	.	H	α-helix	trans	-61.2	-42.1	175.9	-177.3	-175.3	173.3	-169.4	0	111.5	N132 D133 S140	N132-K136 PolarHBondContact O-N 3.05Å; D133-K136 PolarHBondContact O-N 3.04Å; K136-S140 WeakPolarHBondContact O-CB 3.45Å; K136-S140 PolarHBondContact O-N 3.19Å
137	E	97.7	Very high	97	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.107	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-43.2	177.4	-69.6	169.7	-175.6	0	0	112	L92 Q96 D133 L134 L135 S140 Y141	L92-E137 HydrophobicContact CD1-CB 4.13Å; L92-E137 HydrophobicContact CD2-CB 4.04Å; L92-E137 HydrophobicContact CD2-CG 4.08Å; Q96-E137 WeakPolarHBondContact CG-OE1 3.27Å; Q96-E137 PolarHBondContact NE2-OE1 3.29Å; D133-E137 WeakPolarHBondContact O-CG 3.3Å; D133-E137 PolarHBondContact O-N 2.72Å; L134-E137 WeakPolarHBondContact CD2-OE2 3.37Å; L134-E137 PolarHBondContact O-N 2.74Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.85Å; E137-S140 PolarHBondContact O-N 2.93Å; E137-Y141 WeakPolarHBondContact O-CB 3.46Å; E137-Y141 PolarHBondContact O-N 2.92Å
138	A	98.2	Very high	96.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-48.9	175.4	0	0	0	0	0	111.7	I59 L100 L125 L127 L134 L135 S140 Y141 L142	I59-A138 HydrophobicContact CD1-CB 3.78Å; L100-A138 HydrophobicContact CD1-CB 3.94Å; L125-A138 HydrophobicContact CD1-CB 3.64Å; L127-A138 HydrophobicContact CD1-CB 4.07Å; L127-A138 HydrophobicContact CD2-CB 4.46Å; L134-A138 VanDerWaalsContact O-CB 3.23Å; L134-A138 WeakPolarHBondContact O-CB 3.33Å; L134-A138 PolarHBondContact O-N 3.23Å; L135-A138 PolarHBondContact O-N 2.82Å; A138-S140 VanDerWaalsContact C-N 3.32Å; A138-S140 PolarHBondContact O-N 3.27Å; A138-Y141 PolarHBondContact O-N 2.92Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.23Å; A138-L142 WeakPolarHBondContact O-CG 3.4Å; A138-L142 PolarHBondContact O-N 3.2Å
139	L	98	Very high	96.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-42	176.8	-65.1	178.6	0	0	0	111.4	L135 L142 A143 L220 Q234 I235 F239	L135-L139 HydrophobicContact CD1-CD1 4.44Å; L135-L139 HydrophobicContact CD1-CG 4.31Å; L135-L139 VanDerWaalsContact O-CG 3.32Å; L135-L139 WeakPolarHBondContact O-CG 3.34Å; L135-L139 PolarHBondContact O-N 3.41Å; L139-L142 PolarHBondContact O-N 3.48Å; L139-A143 WeakPolarHBondContact O-CB 3.29Å; L139-A143 PolarHBondContact O-N 3.01Å; L139-L220 HydrophobicContact CD2-CD1 4.38Å; L139-L220 HydrophobicContact CD2-CD2 3.73Å; L139-Q234 HydrophobicContact CD1-CB 3.82Å; L139-I235 HydrophobicContact CD1-CG1 4.27Å; L139-I235 HydrophobicContact CD2-CG1 4.43Å; L139-F239 HydrophobicContact CB-CE2 4.11Å; L139-F239 HydrophobicContact CD2-CE2 3.97Å
140	S	97.2	Very high	96.8	Very high	36 Å²	36	38.6 Å²	38.6	25%	0.252	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-43.7	177.5	-169.3	0	0	0	0	112.4	K136 E137 A138 N144	K136-S140 WeakPolarHBondContact O-CB 3.45Å; K136-S140 PolarHBondContact O-N 3.19Å; E137-S140 PolarHBondContact O-N 2.93Å; A138-S140 VanDerWaalsContact C-N 3.32Å; A138-S140 PolarHBondContact O-N 3.27Å; S140-N144 PolarHBondContact O-N 2.91Å; S140-N144 VanDerWaalsContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.42Å
141	Y	98.2	Very high	97.1	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-50.2	176.5	168.5	-94.4	0	0	0	110.3	A85 L100 W101 E137 A138 A143 N144 A145	A85-Y141 PolarHBondContact O-OH 3.29Å; L100-Y141 HydrophobicContact CD2-CD1 4.46Å; L100-Y141 HydrophobicContact CD2-CG 4.06Å; W101-Y141 HydrophobicContact CH2-CE1 4.01Å; W101-Y141 HydrophobicContact CZ2-CD1 4.46Å; W101-Y141 AromaticContact CZ2-CE1 3.73Å; W101-Y141 HydrophobicContact CZ2-CE1 3.73Å; W101-Y141 AromaticContact CZ2-CE2 3.93Å; W101-Y141 HydrophobicContact CZ2-CE2 3.93Å; W101-Y141 AromaticContact CZ2-CZ 3.45Å; W101-Y141 VanDerWaalsContact CZ2-CZ 3.45Å; W101-Y141 WeakPolarHBondContact CZ2-OH 3.35Å; E137-Y141 WeakPolarHBondContact O-CB 3.46Å; E137-Y141 PolarHBondContact O-N 2.92Å; A138-Y141 PolarHBondContact O-N 2.92Å; Y141-A143 PolarHBondContact O-N 3.03Å; Y141-N144 PolarHBondContact O-N 3.16Å; Y141-N144 VanDerWaalsContact O-N 3.13Å; Y141-A145 HydrophobicContact CE1-CB 4.24Å; Y141-A145 WeakPolarHBondContact O-CB 3.36Å; Y141-A145 PolarHBondContact O-N 3.19Å
142	L	98.4	Very high	97.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-44.3	-178.7	-72.4	175.9	0	0	0	112.1	I59 L61 F123 L125 A138 L139 N144 A145 T146 L220 F239	I59-L142 HydrophobicContact CG2-CD1 3.74Å; L61-L142 HydrophobicContact CB-CD1 4.19Å; L61-L142 HydrophobicContact CB-CD2 4.27Å; L61-L142 HydrophobicContact CD2-CB 3.9Å; L61-L142 HydrophobicContact CD2-CD2 4.36Å; F123-L142 HydrophobicContact CB-CD2 3.46Å; F123-L142 VanDerWaalsContact CB-CD2 3.46Å; F123-L142 HydrophobicContact CD1-CD2 4.11Å; F123-L142 HydrophobicContact CG-CD2 3.89Å; L125-L142 HydrophobicContact CD1-CD1 4.19Å; L125-L142 HydrophobicContact CD1-CD2 4.35Å; L125-L142 HydrophobicContact CD1-CG 4.16Å; A138-L142 WeakPolarHBondContact O-CB 3.43Å; A138-L142 VanDerWaalsContact O-CG 3.23Å; A138-L142 WeakPolarHBondContact O-CG 3.4Å; A138-L142 PolarHBondContact O-N 3.2Å; L139-L142 PolarHBondContact O-N 3.48Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 2.73Å; L142-A145 PolarHBondContact O-N 3.41Å; L142-T146 PolarHBondContact O-N 2.72Å; L142-T146 PolarHBondContact O-OG1 2.93Å; L142-T146 VanDerWaalsContact O-OG1 3.04Å; L142-L220 HydrophobicContact CD1-CD1 4.27Å; L142-F239 HydrophobicContact CB-CE1 4.49Å; L142-F239 HydrophobicContact CB-CZ 3.96Å
143	A	98.1	Very high	97.3	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-33.5	176.5	0	0	0	0	0	113.1	L139 Y141 G147 T238 F239 L242	L139-A143 WeakPolarHBondContact O-CB 3.29Å; L139-A143 PolarHBondContact O-N 3.01Å; Y141-A143 PolarHBondContact O-N 3.03Å; A143-G147 WeakPolarHBondContact O-CA 3.46Å; A143-G147 PolarHBondContact O-N 3.15Å; A143-T238 HydrophobicContact CB-CG2 3.66Å; A143-F239 HydrophobicContact CB-CD1 3.91Å; A143-F239 HydrophobicContact CB-CE1 3.73Å; A143-F239 HydrophobicContact CB-CE2 4.38Å; A143-F239 HydrophobicContact CB-CG 4.33Å; A143-F239 HydrophobicContact CB-CZ 3.98Å; A143-L242 HydrophobicContact CB-CD1 4.47Å
144	N	97.4	Very high	97.4	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	19%	0.187	C	C	.	.	H	α-helix	trans	-73.3	-42.7	174.4	-80.8	-89.3	0	0	0	111.7	G90 S140 Y141 L142 T146 K148 L149	G90-N144 VanDerWaalsContact C-CG 3.49Å; G90-N144 VanDerWaalsContact CA-CB 3.49Å; G90-N144 WeakPolarHBondContact O-CB 2.98Å; G90-N144 PolarHBondContact O-ND2 2.78Å; S140-N144 PolarHBondContact O-N 2.91Å; S140-N144 VanDerWaalsContact O-N 3.11Å; S140-N144 PolarHBondContact O-ND2 3.42Å; Y141-N144 PolarHBondContact O-N 3.16Å; Y141-N144 VanDerWaalsContact O-N 3.13Å; L142-N144 VanDerWaalsContact C-N 3.31Å; L142-N144 PolarHBondContact O-N 2.73Å; N144-T146 PolarHBondContact O-N 3.44Å; N144-K148 HydrophobicContact CB-CB 4.43Å; N144-K148 CarbonylContact O-C 3.2Å; N144-K148 VanDerWaalsContact O-C 3.26Å; N144-K148 WeakPolarHBondContact O-CA 3.33Å; N144-K148 PolarHBondContact O-N 3.4Å; N144-L149 PolarHBondContact O-N 3.16Å; N144-L149 VanDerWaalsContact O-N 3.1Å
145	A	97.6	Very high	97.4	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-30.7	177.6	0	0	0	0	0	112.8	A85 F123 Y141 L142	A85-A145 HydrophobicContact CB-CB 3.93Å; F123-A145 HydrophobicContact CE1-CB 4.03Å; F123-A145 HydrophobicContact CZ-CB 4.38Å; Y141-A145 HydrophobicContact CE1-CB 4.24Å; Y141-A145 WeakPolarHBondContact O-CB 3.36Å; Y141-A145 PolarHBondContact O-N 3.19Å; L142-A145 PolarHBondContact O-N 3.41Å
146	T	97.5	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-110.3	-9.5	-177.2	66.2	0	0	0	0	115.7	L61 V63 F123 L142 N144 Y209 Y213 M218	L61-T146 HydrophobicContact CD2-CG2 3.54Å; L61-T146 HydrophobicContact CG-CG2 4.46Å; V63-T146 HydrophobicContact CG2-CG2 4.01Å; F123-T146 HydrophobicContact CD2-CG2 4.19Å; F123-T146 HydrophobicContact CE2-CG2 3.62Å; F123-T146 HydrophobicContact CZ-CG2 4.03Å; L142-T146 PolarHBondContact O-N 2.72Å; L142-T146 PolarHBondContact O-OG1 2.93Å; L142-T146 VanDerWaalsContact O-OG1 3.04Å; N144-T146 PolarHBondContact O-N 3.44Å; T146-Y209 PolarHBondContact O-OH 3.36Å; T146-Y213 HydrophobicContact CG2-CD1 4.33Å; T146-M218 WeakPolarHBondContact O-CE 3.24Å
147	G	96.1	Very high	97.4	Very high	34 Å²	34	33.4 Å²	33.4	35%	0.351	19%	0.189	S	C	.	.	H	α-helix	trans	-134.1	-10.9	178.1	0	0	0	0	0	116.8	A143 Y209	A143-G147 WeakPolarHBondContact O-CA 3.46Å; A143-G147 PolarHBondContact O-N 3.15Å; G147-Y209 VanDerWaalsContact C-OH 3.31Å; G147-Y209 VanDerWaalsContact CA-OH 3.27Å; G147-Y209 WeakPolarHBondContact CA-OH 3.5Å; G147-Y209 PolarHBondContact N-OH 2.83Å
148	K	95.5	Very high	97.3	Very high	99 Å²	99	36.9 Å²	36.9	43%	0.43	21%	0.205	S	C	.	.	S	Bend	trans	-137.1	25	-174.5	-54.2	179.7	-179.1	176.1	0	113.1	N144 T150 Y209 E241	N144-K148 HydrophobicContact CB-CB 4.43Å; N144-K148 CarbonylContact O-C 3.2Å; N144-K148 VanDerWaalsContact O-C 3.26Å; N144-K148 WeakPolarHBondContact O-CA 3.33Å; N144-K148 PolarHBondContact O-N 3.4Å; K148-T150 PolarHBondContact O-N 3.43Å; K148-Y209 PolarHBondContact N-OH 3.43Å; K148-E241 IonicContact NZ-OE2 3.5Å; K148-E241 PolarHBondContact NZ-OE2 2.71Å
149	L	96.8	Very high	97.2	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	21%	0.207	C	C	.	.			trans	-64.9	131.6	-177.8	-169	65.8	0	0	0	112.1	I81 I84 A85 N144 I151 Y209	I81-L149 HydrophobicContact CG2-CD2 3.93Å; I84-L149 HydrophobicContact CB-CD2 4.37Å; I84-L149 HydrophobicContact CG2-CD1 4.12Å; I84-L149 HydrophobicContact CG2-CD2 4.16Å; I84-L149 HydrophobicContact CG2-CG 4.2Å; A85-L149 VanDerWaalsContact CA-CD1 3.46Å; A85-L149 HydrophobicContact CB-CD1 3.76Å; A85-L149 HydrophobicContact CB-CD2 4.45Å; N144-L149 PolarHBondContact O-N 3.16Å; N144-L149 VanDerWaalsContact O-N 3.1Å; L149-I151 HydrophobicContact CD2-CD1 4.13Å; L149-I151 HydrophobicContact CD2-CG1 4Å; L149-I151 HydrophobicContact CG-CG1 4.08Å; L149-Y209 HydrophobicContact CB-CE1 3.92Å; L149-Y209 HydrophobicContact CB-CE2 3.9Å; L149-Y209 VanDerWaalsContact CB-CZ 3.48Å; L149-Y209 WeakPolarHBondContact CB-OH 3.39Å; L149-Y209 HydrophobicContact CD2-CD2 4.3Å; L149-Y209 HydrophobicContact CD2-CE2 4.07Å; L149-Y209 PolarHBondContact N-OH 2.96Å
150	T	97.1	Very high	97.1	Very high	78 Å²	78	40.2 Å²	40.2	48%	0.479	22%	0.223	S	C	.	.			trans	-87.3	116.5	173.4	-62.3	0	0	0	0	109.7	Q88 K148 T152 T155	Q88-T150 PolarHBondContact NE2-O 2.95Å; K148-T150 PolarHBondContact O-N 3.43Å; T150-T152 HydrophobicContact CG2-CG2 3.95Å; T150-T155 HydrophobicContact CG2-CG2 4.44Å; T150-T155 PolarHBondContact O-OG1 3.38Å
151	I	97.8	Very high	97	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.072	25%	0.248	C	C	.	.			trans	-117.1	107.1	-179.6	-59.6	164.4	0	0	0	108.6	L149 I156 A202 I205 K206 Y209	L149-I151 HydrophobicContact CD2-CD1 4.13Å; L149-I151 HydrophobicContact CD2-CG1 4Å; L149-I151 HydrophobicContact CG-CG1 4.08Å; I151-I156 HydrophobicContact CG2-CD1 4.13Å; I151-I156 HydrophobicContact CG2-CG1 4.41Å; I151-A202 HydrophobicContact CG2-CB 4.48Å; I151-I205 HydrophobicContact CD1-CG2 4.22Å; I151-I205 HydrophobicContact CG2-CB 3.99Å; I151-I205 HydrophobicContact CG2-CG2 4.03Å; I151-K206 HydrophobicContact CB-CB 4.3Å; I151-K206 HydrophobicContact CD1-CB 4.29Å; I151-K206 HydrophobicContact CG2-CB 4.42Å; I151-Y209 HydrophobicContact CD1-CD1 4Å; I151-Y209 HydrophobicContact CD1-CG 3.83Å
152	T	97.7	Very high	96.9	Very high	44 Å²	44	48.1 Å²	48.1	27%	0.27	26%	0.26	S	S	.	.			trans	-137	159.3	-179.1	59.8	0	0	0	0	109.7	T150 E154 T155 I156	T150-T152 HydrophobicContact CG2-CG2 3.95Å; T152-E154 WeakPolarHBondContact CB-OE2 3.45Å; T152-E154 PolarHBondContact O-N 2.96Å; T152-T155 PolarHBondContact N-OG1 3.24Å; T152-T155 PolarHBondContact O-N 3.06Å; T152-T155 VanDerWaalsContact O-N 3.16Å; T152-T155 PolarHBondContact O-OG1 2.92Å; T152-T155 WeakPolarHBondContact OG1-CG2 3.34Å; T152-T155 PolarHBondContact OG1-N 3.49Å; T152-T155 PolarHBondContact OG1-OG1 3.15Å; T152-I156 WeakPolarHBondContact O-CD1 3.39Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 2.99Å; T152-I156 PolarHBondContact O-N 2.99Å
153	P	97.1	Very high	96.8	Very high	68 Å²	68	56.1 Å²	56.1	44%	0.442	30%	0.298	S	S	.	.	H	α-helix	trans	-51	-39.5	173.9	-26.7	36	0	0	0	112.9	I156 N157 A202	P153-I156 PolarHBondContact O-N 2.81Å; P153-N157 WeakPolarHBondContact O-CB 3.5Å; P153-N157 VanDerWaalsContact O-CG 3.23Å; P153-N157 PolarHBondContact O-N 2.8Å; P153-N157 PolarHBondContact O-ND2 2.92Å; P153-N157 VanDerWaalsContact O-ND2 3.16Å; P153-A202 HydrophobicContact CG-CB 4.11Å
154	E	97.3	Very high	96.7	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-64.7	-48.4	179.4	-63	69.7	-150.8	0	0	111.4	T152 I156 N157 H158	T152-E154 WeakPolarHBondContact CB-OE2 3.45Å; T152-E154 PolarHBondContact O-N 2.96Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 3.15Å; E154-N157 PolarHBondContact O-N 3.5Å; E154-H158 WeakPolarHBondContact O-CB 3.37Å; E154-H158 PolarHBondContact O-N 2.86Å
155	T	97.1	Very high	96.6	Very high	26 Å²	26	61.2 Å²	61.2	16%	0.16	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-33.8	178.3	54.2	0	0	0	0	112.7	T150 T152 A159	T150-T155 HydrophobicContact CG2-CG2 4.44Å; T150-T155 PolarHBondContact O-OG1 3.38Å; T152-T155 PolarHBondContact N-OG1 3.24Å; T152-T155 PolarHBondContact O-N 3.06Å; T152-T155 VanDerWaalsContact O-N 3.16Å; T152-T155 PolarHBondContact O-OG1 2.92Å; T152-T155 WeakPolarHBondContact OG1-CG2 3.34Å; T152-T155 PolarHBondContact OG1-N 3.49Å; T152-T155 PolarHBondContact OG1-OG1 3.15Å; T155-A159 WeakPolarHBondContact O-CB 3.29Å; T155-A159 PolarHBondContact O-N 3.02Å
156	I	97.3	Very high	96.7	Very high	6 Å²	6	61.8 Å²	61.8	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-50	175.8	-68.3	161.3	0	0	0	109.2	I84 I151 T152 P153 E154 H158 A159 L160 L196 V200 A202 I205	I84-I156 HydrophobicContact CD1-CG1 3.8Å; I151-I156 HydrophobicContact CG2-CD1 4.13Å; I151-I156 HydrophobicContact CG2-CG1 4.41Å; T152-I156 WeakPolarHBondContact O-CD1 3.39Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 2.99Å; T152-I156 PolarHBondContact O-N 2.99Å; P153-I156 PolarHBondContact O-N 2.81Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 3.15Å; I156-H158 VanDerWaalsContact C-N 3.34Å; I156-H158 PolarHBondContact O-N 3.1Å; I156-A159 PolarHBondContact O-N 3.11Å; I156-L160 HydrophobicContact CG2-CD1 3.89Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 VanDerWaalsContact O-CG 3.3Å; I156-L160 WeakPolarHBondContact O-CG 3.2Å; I156-L160 PolarHBondContact O-N 2.88Å; I156-L196 HydrophobicContact CG2-CD2 4.06Å; I156-V200 HydrophobicContact CG2-CG1 4.32Å; I156-A202 HydrophobicContact CD1-CB 3.62Å; I156-I205 HydrophobicContact CD1-CD1 3.78Å; I156-I205 HydrophobicContact CG1-CD1 4.2Å
157	N	96.3	Very high	96.7	Very high	83 Å²	83	63.2 Å²	63.2	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-43.6	178.8	-72.9	-27.9	0	0	0	111.8	P153 E154 A159 L160 Q161	P153-N157 WeakPolarHBondContact O-CB 3.5Å; P153-N157 VanDerWaalsContact O-CG 3.23Å; P153-N157 PolarHBondContact O-N 2.8Å; P153-N157 PolarHBondContact O-ND2 2.92Å; P153-N157 VanDerWaalsContact O-ND2 3.16Å; E154-N157 PolarHBondContact O-N 3.5Å; N157-A159 PolarHBondContact O-N 2.76Å; N157-L160 PolarHBondContact O-N 2.94Å; N157-Q161 WeakPolarHBondContact O-CG 3.44Å; N157-Q161 PolarHBondContact O-N 2.85Å
158	H	97	Very high	96.8	Very high	97 Å²	97	62.6 Å²	62.6	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-43.9	175.9	-179.2	-113.5	0	0	0	112.2	T87 E154 I156 L160 Q161 S162	T87-H158 WeakPolarHBondContact CB-ND1 3.37Å; E154-H158 WeakPolarHBondContact O-CB 3.37Å; E154-H158 PolarHBondContact O-N 2.86Å; I156-H158 VanDerWaalsContact C-N 3.34Å; I156-H158 PolarHBondContact O-N 3.1Å; H158-L160 PolarHBondContact O-N 3.19Å; H158-Q161 PolarHBondContact O-N 3.49Å; H158-S162 WeakPolarHBondContact O-CB 3.45Å; H158-S162 PolarHBondContact O-N 3.28Å; H158-S162 PolarHBondContact O-OG 3.05Å
159	A	96.8	Very high	96.9	Very high	4 Å²	4	62 Å²	62	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-36	177.2	0	0	0	0	0	113.1	R83 I84 T87 T155 I156 N157 S162	R83-A159 HydrophobicContact CB-CB 4.37Å; R83-A159 PolarHBondContact NH2-O 2.94Å; I84-A159 HydrophobicContact CB-CB 4.42Å; I84-A159 HydrophobicContact CG1-CB 3.82Å; T87-A159 HydrophobicContact CG2-CB 4.2Å; T155-A159 WeakPolarHBondContact O-CB 3.29Å; T155-A159 PolarHBondContact O-N 3.02Å; I156-A159 PolarHBondContact O-N 3.11Å; N157-A159 PolarHBondContact O-N 2.76Å; A159-S162 PolarHBondContact O-N 2.78Å
160	L	94.9	Very high	96.9	Very high	65 Å²	65	62.1 Å²	62.1	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-70.9	-30.8	177.1	-69.1	173.3	0	0	0	112.9	R83 I156 N157 H158 L196 Q198	R83-L160 PolarHBondContact NH2-O 2.99Å; I156-L160 HydrophobicContact CG2-CD1 3.89Å; I156-L160 HydrophobicContact CG2-CG 4.41Å; I156-L160 VanDerWaalsContact O-CG 3.3Å; I156-L160 WeakPolarHBondContact O-CG 3.2Å; I156-L160 PolarHBondContact O-N 2.88Å; N157-L160 PolarHBondContact O-N 2.94Å; H158-L160 PolarHBondContact O-N 3.19Å; L160-L196 HydrophobicContact CD1-CD2 4.39Å; L160-L196 HydrophobicContact CD2-CD2 4.39Å; L160-Q198 VanDerWaalsContact CD1-NE2 3.33Å
161	Q	96.1	Very high	96.8	Very high	168 Å²	168	62.9 Å²	62.9	79%	0.785	34%	0.339	S	S	*	.	H	α-helix	trans	-85.2	-17.7	176.6	-69.1	175.6	-6.2	0	0	113.5	N157 H158	N157-Q161 WeakPolarHBondContact O-CG 3.44Å; N157-Q161 PolarHBondContact O-N 2.85Å; H158-Q161 PolarHBondContact O-N 3.49Å
162	S	95.5	Very high	96.7	Very high	37 Å²	37	66.4 Å²	66.4	26%	0.259	36%	0.358	S	S	.	.	S	Bend	trans	-78.8	156.8	176	-63.4	0	0	0	0	111.6	H158 A159 D164	H158-S162 WeakPolarHBondContact O-CB 3.45Å; H158-S162 PolarHBondContact O-N 3.28Å; H158-S162 PolarHBondContact O-OG 3.05Å; A159-S162 PolarHBondContact O-N 2.78Å; S162-D164 PolarHBondContact O-N 2.9Å
163	Q	95.5	Very high	96.7	Very high	170 Å²	170	64.4 Å²	64.4	79%	0.794	35%	0.346	S	S	*	.			trans	-56	131.8	171.2	-179.1	175.7	7.7	0	0	110	M165	Q163-M165 PolarHBondContact O-N 3.38Å
164	D	96.3	Very high	96.6	Very high	60 Å²	60	66.5 Å²	66.5	32%	0.321	35%	0.348	S	S	.	.			trans	-74	111.5	174.3	-156	-17.2	0	0	0	109.9	H79 R83 S162 V166	H79-D164 IonicContact CE1-OD2 2.68Å; H79-D164 PolarHBondContact CE1-OD2 3.12Å; H79-D164 IonicContact NE2-OD1 3.84Å; H79-D164 IonicContact NE2-OD2 3.18Å; R83-D164 WeakPolarHBondContact CD-OD1 3.4Å; R83-D164 WeakPolarHBondContact CD-OD2 3.49Å; R83-D164 WeakPolarHBondContact CG-OD1 3.32Å; R83-D164 IonicContact CZ-OD2 3.3Å; R83-D164 IonicContact NE-OD1 3.39Å; R83-D164 IonicContact NE-OD2 2.87Å; R83-D164 PolarHBondContact NE-OD2 3.33Å; R83-D164 IonicContact NH1-OD2 2.86Å; R83-D164 PolarHBondContact NH1-OD2 3.43Å; S162-D164 PolarHBondContact O-N 2.9Å; D164-V166 PolarHBondContact OD1-N 2.98Å
165	M	96	Very high	96.5	Very high	80 Å²	80	61.6 Å²	61.6	39%	0.394	33%	0.325	S	S	.	.			trans	-103.7	4.3	177.2	-66.4	-169.8	-61.4	0	0	111.9	L86 P113 Q163	L86-M165 HydrophobicContact CB-CE 3.97Å; L86-M165 HydrophobicContact CD1-CB 3.9Å; L86-M165 HydrophobicContact CD1-CE 4.41Å; L86-M165 HydrophobicContact CD2-CE 4.5Å; P113-M165 HydrophobicContact CG-CB 4.42Å; Q163-M165 PolarHBondContact O-N 3.38Å
166	V	98.2	Very high	96.4	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.085	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.2	174.2	-173.5	0	0	0	0	108.1	H79 P82 R83 L86 V114 V116 D164	H79-V166 WeakPolarHBondContact CD2-CG1 3.2Å; H79-V166 WeakPolarHBondContact NE2-CB 3.39Å; P82-V166 HydrophobicContact CB-CG2 3.98Å; P82-V166 HydrophobicContact CG-CG1 4.13Å; P82-V166 HydrophobicContact CG-CG2 4.09Å; R83-V166 HydrophobicContact CB-CG2 4.38Å; R83-V166 HydrophobicContact CG-CB 4.19Å; R83-V166 HydrophobicContact CG-CG2 3.53Å; L86-V166 HydrophobicContact CD1-CG2 3.68Å; V114-V166 HydrophobicContact CB-CG1 4.19Å; V114-V166 HydrophobicContact CB-CG2 4.24Å; V114-V166 HydrophobicContact CG1-CG1 4.19Å; V116-V166 HydrophobicContact CB-CG1 4.47Å; V116-V166 HydrophobicContact CG1-CG1 3.8Å; V116-V166 HydrophobicContact CG2-CG1 4Å; D164-V166 PolarHBondContact OD1-N 2.98Å
167	A	98.4	Very high	96.3	Very high	30 Å²	30	62.9 Å²	62.9	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	166.3	172.6	0	0	0	0	0	110.4	P112 V114 I115 V116	P112-A167 HydrophobicContact CB-CB 3.57Å; P112-A167 HydrophobicContact CG-CB 3.44Å; P112-A167 VanDerWaalsContact CG-CB 3.44Å; V114-A167 PolarHBondContact O-N 3.25Å; I115-A167 CarbonylContact C-O 3.59Å; I115-A167 VanDerWaalsContact CA-O 3.28Å; I115-A167 WeakPolarHBondContact CA-O 3.11Å; I115-A167 HydrophobicContact CG1-CB 4.4Å; V116-A167 PolarHBondContact N-O 3.42Å
168	T	98.6	Very high	96.3	Very high	21 Å²	21	59.4 Å²	59.4	13%	0.129	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.4	173.7	58.7	0	0	0	0	111.7	V116 P170 A171 T173 P192 A193	V116-T168 HydrophobicContact CG2-CG2 4.01Å; V116-T168 CarbonylContact O-C 3.52Å; V116-T168 VanDerWaalsContact O-CA 3.22Å; V116-T168 WeakPolarHBondContact O-CA 3.32Å; T168-P170 CarbonylContact C-O 3.48Å; T168-P170 WeakPolarHBondContact CB-O 3.22Å; T168-P170 CarbonylContact O-C 3.57Å; T168-P170 PolarHBondContact OG1-O 3.36Å; T168-A171 WeakPolarHBondContact O-CA 3.32Å; T168-A171 PolarHBondContact O-N 2.9Å; T168-A171 PolarHBondContact OG1-O 2.88Å; T168-T173 HydrophobicContact CG2-CG2 4.43Å; T168-P192 HydrophobicContact CG2-CB 4.42Å; T168-A193 HydrophobicContact CG2-CB 3.94Å
169	W	97	Very high	96.3	Very high	85 Å²	85	58.8 Å²	58.8	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-117.2	125.3	156.8	-174.3	83.5	0	0	0	109.8	I115 V116 L330 Y331	I115-W169 HydrophobicContact CG2-CB 3.8Å; V116-W169 PolarHBondContact O-N 3.04Å; W169-L330 HydrophobicContact CH2-CD2 3.49Å; W169-L330 VanDerWaalsContact CH2-CD2 3.49Å; W169-L330 HydrophobicContact CZ2-CD2 3.59Å; W169-Y331 HydrophobicContact CH2-CE2 4.26Å; W169-Y331 HydrophobicContact CZ3-CE1 4.22Å; W169-Y331 AromaticContact CZ3-CE2 3.74Å; W169-Y331 HydrophobicContact CZ3-CE2 3.74Å; W169-Y331 AromaticContact CZ3-CZ 3.48Å; W169-Y331 VanDerWaalsContact CZ3-CZ 3.48Å; W169-Y331 WeakPolarHBondContact CZ3-OH 3.48Å
170	P	96.4	Very high	96.3	Very high	22 Å²	22	60.3 Å²	60.3	14%	0.143	31%	0.314	C	S	.	.	S	Bend	cis	-58.8	158	-6.8	-25	36.9	0	0	0	114.1	T168 D172 T173 W178	T168-P170 CarbonylContact C-O 3.48Å; T168-P170 WeakPolarHBondContact CB-O 3.22Å; T168-P170 CarbonylContact O-C 3.57Å; T168-P170 PolarHBondContact OG1-O 3.36Å; P170-D172 VanDerWaalsContact C-N 3.32Å; P170-D172 PolarHBondContact O-N 2.8Å; P170-T173 WeakPolarHBondContact O-CG2 3.31Å; P170-W178 HydrophobicContact CG-CD2 3.64Å; P170-W178 HydrophobicContact CG-CE3 4.08Å; P170-W178 HydrophobicContact CG-CG 3.99Å; P170-W178 HydrophobicContact CG-CH2 4.44Å; P170-W178 HydrophobicContact CG-CZ2 3.99Å; P170-W178 HydrophobicContact CG-CZ3 4.46Å
171	A	95.5	Very high	96.3	Very high	94 Å²	94	57.5 Å²	57.5	78%	0.777	30%	0.299	S	S	*	.	S	Bend	trans	-63.7	-36	-175.9	0	0	0	0	0	113	T168	T168-A171 WeakPolarHBondContact O-CA 3.32Å; T168-A171 PolarHBondContact O-N 2.9Å; T168-A171 PolarHBondContact OG1-O 2.88Å
172	D	96.1	Very high	96.4	Very high	88 Å²	88	49.6 Å²	49.6	47%	0.471	26%	0.262	S	S	.	.			trans	-117.6	101.8	167.9	179.7	2.9	0	0	0	108.7	P170 K174 E175	P170-D172 VanDerWaalsContact C-N 3.32Å; P170-D172 PolarHBondContact O-N 2.8Å; D172-K174 PolarHBondContact O-N 2.91Å; D172-K174 WeakPolarHBondContact OD1-CA 3.26Å; D172-K174 PolarHBondContact OD1-N 3.02Å; D172-E175 HydrophobicContact CB-CB 4.05Å; D172-E175 WeakPolarHBondContact O-CB 3.5Å; D172-E175 PolarHBondContact O-N 2.83Å; D172-E175 PolarHBondContact OD1-N 2.88Å; D172-E175 VanDerWaalsContact OD1-N 3.12Å
173	T	96.8	Very high	96.4	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.9	179.3	67.7	0	0	0	0	113	T168 P170 R179 D191 P192 A193	T168-T173 HydrophobicContact CG2-CG2 4.43Å; P170-T173 WeakPolarHBondContact O-CG2 3.31Å; T173-R179 WeakPolarHBondContact O-CD 3.35Å; T173-D191 WeakPolarHBondContact CB-OD1 3.46Å; T173-D191 PolarHBondContact OG1-OD1 3.28Å; T173-D191 PolarHBondContact OG1-OD2 2.82Å; T173-P192 HydrophobicContact CG2-CG 3.97Å; T173-A193 HydrophobicContact CG2-CB 4.15Å; T173-A193 VanDerWaalsContact OG1-CB 3.29Å; T173-A193 WeakPolarHBondContact OG1-CB 3.42Å
174	K	95.5	Very high	96.4	Very high	111 Å²	111	49.4 Å²	49.4	48%	0.483	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.5	178.5	-49.2	-55.9	-179.9	-175.7	0	112	D172 G176 D191 D194	D172-K174 PolarHBondContact O-N 2.91Å; D172-K174 WeakPolarHBondContact OD1-CA 3.26Å; D172-K174 PolarHBondContact OD1-N 3.02Å; K174-G176 PolarHBondContact O-N 3.13Å; K174-D191 WeakPolarHBondContact CE-OD2 3.36Å; K174-D191 VanDerWaalsContact NZ-CG 3.27Å; K174-D191 IonicContact NZ-OD1 3.08Å; K174-D191 IonicContact NZ-OD2 3.65Å; K174-D191 PolarHBondContact NZ-OD2 2.86Å; K174-D194 IonicContact NZ-OD1 2.69Å; K174-D194 PolarHBondContact NZ-OD1 3.21Å
175	E	95.2	Very high	96.4	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.136	26%	0.262	C	S	.	.			trans	-55.8	132.6	174.1	-162.2	-71.5	129.4	0	0	110.6	D172 W177 W178 R179 T267	D172-E175 HydrophobicContact CB-CB 4.05Å; D172-E175 WeakPolarHBondContact O-CB 3.5Å; D172-E175 PolarHBondContact O-N 2.83Å; D172-E175 PolarHBondContact OD1-N 2.88Å; D172-E175 VanDerWaalsContact OD1-N 3.12Å; E175-W177 VanDerWaalsContact C-N 3.33Å; E175-W177 VanDerWaalsContact CD-N 3.29Å; E175-W177 PolarHBondContact O-N 3.43Å; E175-W177 PolarHBondContact OE1-N 3.31Å; E175-W177 VanDerWaalsContact OE1-N 3.15Å; E175-W177 VanDerWaalsContact OE2-CA 3.24Å; E175-W177 WeakPolarHBondContact OE2-CA 3.47Å; E175-W177 WeakPolarHBondContact OE2-CB 3.44Å; E175-W177 PolarHBondContact OE2-N 3.24Å; E175-W178 HydrophobicContact CB-CB 4.48Å; E175-W178 PolarHBondContact O-N 3.04Å; E175-W178 VanDerWaalsContact O-N 3.11Å; E175-W178 PolarHBondContact OE2-N 2.88Å; E175-R179 WeakPolarHBondContact O-CG 3.39Å; E175-R179 PolarHBondContact O-N 3.37Å; E175-T267 PolarHBondContact OE1-OG1 2.67Å; E175-T267 VanDerWaalsContact OE1-OG1 3.1Å
176	G	94.9	Very high	96.4	Very high	27 Å²	27	46.4 Å²	46.4	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-39.3	-168.5	0	0	0	0	0	113.7	K174 R179 Y180	K174-G176 PolarHBondContact O-N 3.13Å; G176-R179 PolarHBondContact O-N 3.33Å; G176-Y180 WeakPolarHBondContact O-CB 3.44Å; G176-Y180 PolarHBondContact O-N 3.15Å
177	W	95.4	Very high	96.4	Very high	32 Å²	32	45.7 Å²	45.7	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-44.2	175.5	158.6	-109.1	0	0	0	111.6	E175 R179 Y180 R181 L258 I265 M278 I448 L450	E175-W177 VanDerWaalsContact C-N 3.33Å; E175-W177 VanDerWaalsContact CD-N 3.29Å; E175-W177 PolarHBondContact O-N 3.43Å; E175-W177 PolarHBondContact OE1-N 3.31Å; E175-W177 VanDerWaalsContact OE1-N 3.15Å; E175-W177 VanDerWaalsContact OE2-CA 3.24Å; E175-W177 WeakPolarHBondContact OE2-CA 3.47Å; E175-W177 WeakPolarHBondContact OE2-CB 3.44Å; E175-W177 PolarHBondContact OE2-N 3.24Å; W177-R179 PolarHBondContact O-N 3.32Å; W177-Y180 AromaticContact CE3-CD1 3.99Å; W177-Y180 HydrophobicContact CE3-CD1 3.99Å; W177-Y180 AromaticContact CZ3-CD1 3.66Å; W177-Y180 HydrophobicContact CZ3-CD1 3.66Å; W177-Y180 HydrophobicContact CZ3-CE1 4.12Å; W177-Y180 WeakPolarHBondContact O-CB 3.49Å; W177-Y180 PolarHBondContact O-N 3.15Å; W177-R181 WeakPolarHBondContact O-CB 3.46Å; W177-R181 PolarHBondContact O-N 2.92Å; W177-L258 HydrophobicContact CH2-CD1 3.9Å; W177-L258 HydrophobicContact CH2-CD2 4.13Å; W177-L258 HydrophobicContact CZ3-CD1 4.12Å; W177-I265 HydrophobicContact CB-CD1 4.01Å; W177-I265 HydrophobicContact CE3-CD1 3.94Å; W177-M278 HydrophobicContact CH2-CE 3.41Å; W177-M278 VanDerWaalsContact CH2-CE 3.41Å; W177-M278 HydrophobicContact CH2-SD 4.18Å; W177-M278 HydrophobicContact CZ2-CE 3.79Å; W177-M278 HydrophobicContact CZ2-SD 4.2Å; W177-M278 HydrophobicContact CZ3-CE 4.13Å; W177-I448 HydrophobicContact CD2-CG2 4.45Å; W177-I448 HydrophobicContact CE3-CG1 4.49Å; W177-I448 HydrophobicContact CE3-CG2 3.64Å; W177-I448 HydrophobicContact CH2-CG1 4.22Å; W177-I448 HydrophobicContact CZ3-CB 4.42Å; W177-I448 HydrophobicContact CZ3-CD1 3.92Å; W177-I448 HydrophobicContact CZ3-CG1 3.79Å; W177-I448 HydrophobicContact CZ3-CG2 3.81Å; W177-L450 HydrophobicContact CB-CD2 3.93Å
178	W	97	Very high	96.3	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.038	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-45.4	174.2	-173.6	-119.3	0	0	0	112.1	Y118 P170 E175 Y180 R181 L182 L187 L255 L330 Y331	Y118-W178 HydrophobicContact CD2-CZ2 4.28Å; Y118-W178 AromaticContact CE2-CE2 3.9Å; Y118-W178 AromaticContact CE2-CZ2 3.6Å; Y118-W178 HydrophobicContact CE2-CZ2 3.6Å; Y118-W178 AromaticContact CE2-NE1 3.6Å; Y118-W178 AromaticContact CZ-NE1 3.63Å; Y118-W178 PolarHBondContact OH-NE1 3.17Å; P170-W178 HydrophobicContact CG-CD2 3.64Å; P170-W178 HydrophobicContact CG-CE3 4.08Å; P170-W178 HydrophobicContact CG-CG 3.99Å; P170-W178 HydrophobicContact CG-CH2 4.44Å; P170-W178 HydrophobicContact CG-CZ2 3.99Å; P170-W178 HydrophobicContact CG-CZ3 4.46Å; E175-W178 HydrophobicContact CB-CB 4.48Å; E175-W178 PolarHBondContact O-N 3.04Å; E175-W178 VanDerWaalsContact O-N 3.11Å; E175-W178 PolarHBondContact OE2-N 2.88Å; W178-Y180 VanDerWaalsContact C-N 3.29Å; W178-Y180 PolarHBondContact O-N 2.98Å; W178-R181 HydrophobicContact CE3-CB 4.1Å; W178-R181 HydrophobicContact CE3-CG 4.28Å; W178-R181 HydrophobicContact CZ3-CB 4.32Å; W178-R181 HydrophobicContact CZ3-CG 4.01Å; W178-R181 WeakPolarHBondContact O-CB 3.47Å; W178-R181 PolarHBondContact O-N 3.18Å; W178-L182 HydrophobicContact CD2-CG 4.49Å; W178-L182 HydrophobicContact CH2-CD2 4.29Å; W178-L182 HydrophobicContact CZ2-CD2 3.61Å; W178-L182 HydrophobicContact CZ2-CG 4.34Å; W178-L182 WeakPolarHBondContact O-CG 3.38Å; W178-L182 PolarHBondContact O-N 3.11Å; W178-L182 VanDerWaalsContact O-N 3.09Å; W178-L187 HydrophobicContact CH2-CD1 4.45Å; W178-L187 HydrophobicContact CZ2-CD1 4.37Å; W178-L255 HydrophobicContact CH2-CD1 4.12Å; W178-L255 HydrophobicContact CH2-CD2 4.32Å; W178-L255 HydrophobicContact CZ3-CD1 4.15Å; W178-L330 HydrophobicContact CZ3-CD1 4.3Å; W178-Y331 AromaticContact CH2-CD2 3.86Å; W178-Y331 HydrophobicContact CH2-CD2 3.86Å; W178-Y331 AromaticContact CH2-CE2 3.55Å; W178-Y331 HydrophobicContact CH2-CE2 3.55Å; W178-Y331 AromaticContact CZ2-CE2 3.89Å; W178-Y331 HydrophobicContact CZ2-CE2 3.89Å
179	R	96.3	Very high	96.1	Very high	84 Å²	84	50.6 Å²	50.6	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-38.5	176.3	-63.4	-47.1	-60.2	-169.3	-6.3	112.7	T173 E175 G176 W177 D191	T173-R179 WeakPolarHBondContact O-CD 3.35Å; E175-R179 WeakPolarHBondContact O-CG 3.39Å; E175-R179 PolarHBondContact O-N 3.37Å; G176-R179 PolarHBondContact O-N 3.33Å; W177-R179 PolarHBondContact O-N 3.32Å; R179-D191 IonicContact NH1-OD2 3.3Å; R179-D191 PolarHBondContact NH1-OD2 3.48Å
180	Y	96	Very high	96.1	Very high	37 Å²	37	49.1 Å²	49.1	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-44.3	173.5	178.7	-92	0	0	0	111	G176 W177 W178 L182 K183 L258 V263 I265	G176-Y180 WeakPolarHBondContact O-CB 3.44Å; G176-Y180 PolarHBondContact O-N 3.15Å; W177-Y180 AromaticContact CE3-CD1 3.99Å; W177-Y180 HydrophobicContact CE3-CD1 3.99Å; W177-Y180 AromaticContact CZ3-CD1 3.66Å; W177-Y180 HydrophobicContact CZ3-CD1 3.66Å; W177-Y180 HydrophobicContact CZ3-CE1 4.12Å; W177-Y180 WeakPolarHBondContact O-CB 3.49Å; W177-Y180 PolarHBondContact O-N 3.15Å; W178-Y180 VanDerWaalsContact C-N 3.29Å; W178-Y180 PolarHBondContact O-N 2.98Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 3.21Å; Y180-K183 HydrophobicContact CD2-CD 4.23Å; Y180-K183 WeakPolarHBondContact O-CB 3.33Å; Y180-K183 WeakPolarHBondContact O-CG 3.35Å; Y180-K183 PolarHBondContact O-N 3.3Å; Y180-K183 VanDerWaalsContact O-N 3.11Å; Y180-L258 HydrophobicContact CD1-CD1 4.39Å; Y180-L258 HydrophobicContact CE1-CD1 3.65Å; Y180-V263 HydrophobicContact CE1-CG2 4.19Å; Y180-V263 HydrophobicContact CE2-CB 4.32Å; Y180-V263 HydrophobicContact CE2-CG1 3.84Å; Y180-V263 HydrophobicContact CE2-CG2 4.22Å; Y180-I265 HydrophobicContact CG-CD1 4.09Å
181	R	96.3	Very high	96.2	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.023	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-32.1	-178.2	-170.1	65.4	-166.3	90.9	-20	113.6	W177 W178 K183 L255 S256 D280	W177-R181 WeakPolarHBondContact O-CB 3.46Å; W177-R181 PolarHBondContact O-N 2.92Å; W178-R181 HydrophobicContact CE3-CB 4.1Å; W178-R181 HydrophobicContact CE3-CG 4.28Å; W178-R181 HydrophobicContact CZ3-CB 4.32Å; W178-R181 HydrophobicContact CZ3-CG 4.01Å; W178-R181 WeakPolarHBondContact O-CB 3.47Å; W178-R181 PolarHBondContact O-N 3.18Å; R181-K183 VanDerWaalsContact C-N 3.26Å; R181-K183 PolarHBondContact O-N 3.44Å; R181-L255 HydrophobicContact CG-CD1 3.77Å; R181-L255 HydrophobicContact CG-CD2 3.93Å; R181-L255 HydrophobicContact CG-CG 4.45Å; R181-L255 WeakPolarHBondContact O-CD2 3.37Å; R181-S256 PolarHBondContact NH1-O 3.48Å; R181-S256 PolarHBondContact NH2-O 3.37Å; R181-D280 IonicContact CZ-OD1 3.14Å; R181-D280 IonicContact NH2-OD1 2.64Å; R181-D280 PolarHBondContact NH2-OD1 3.29Å; R181-D280 IonicContact NH2-OD2 3.82Å
182	L	97.2	Very high	96.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.9	177.7	-64.7	172.5	0	0	0	114	Y118 W178 Y180 G184 S185 L187 L188 L255	Y118-L182 HydrophobicContact CE1-CD2 4.22Å; Y118-L182 WeakPolarHBondContact OH-CD1 3.43Å; W178-L182 HydrophobicContact CD2-CG 4.49Å; W178-L182 HydrophobicContact CH2-CD2 4.29Å; W178-L182 HydrophobicContact CZ2-CD2 3.61Å; W178-L182 HydrophobicContact CZ2-CG 4.34Å; W178-L182 WeakPolarHBondContact O-CG 3.38Å; W178-L182 PolarHBondContact O-N 3.11Å; W178-L182 VanDerWaalsContact O-N 3.09Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 3.21Å; L182-G184 PolarHBondContact O-N 2.86Å; L182-S185 WeakPolarHBondContact O-CB 3.33Å; L182-S185 PolarHBondContact O-N 2.96Å; L182-S185 PolarHBondContact O-OG 3.01Å; L182-L187 HydrophobicContact CD2-CB 3.5Å; L182-L187 VanDerWaalsContact CD2-CB 3.5Å; L182-L187 HydrophobicContact CD2-CD1 4Å; L182-L187 HydrophobicContact CD2-CG 4.39Å; L182-L188 HydrophobicContact CB-CD1 4.33Å; L182-L255 HydrophobicContact CD2-CD2 4.42Å
183	K	95.8	Very high	96.4	Very high	138 Å²	138	41.3 Å²	41.3	60%	0.6	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	125.7	-174.8	-71.1	179.7	-179.8	178.6	0	111.3	Y180 R181 S185	Y180-K183 HydrophobicContact CD2-CD 4.23Å; Y180-K183 WeakPolarHBondContact O-CB 3.33Å; Y180-K183 WeakPolarHBondContact O-CG 3.35Å; Y180-K183 PolarHBondContact O-N 3.3Å; Y180-K183 VanDerWaalsContact O-N 3.11Å; R181-K183 VanDerWaalsContact C-N 3.26Å; R181-K183 PolarHBondContact O-N 3.44Å; K183-S185 PolarHBondContact O-N 3.32Å
184	G	95.6	Very high	96.4	Very high	65 Å²	65	43.1 Å²	43.1	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	5	179.9	0	0	0	0	0	115	L182 S256	L182-G184 PolarHBondContact O-N 2.86Å; G184-S256 PolarHBondContact O-OG 2.97Å
185	S	97.2	Very high	96.3	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	26%	0.255	C	S	.	.	S	Bend	trans	-90.4	168.2	-178.3	88	0	0	0	0	112.3	L182 K183 L187 T254 S256	L182-S185 WeakPolarHBondContact O-CB 3.33Å; L182-S185 PolarHBondContact O-N 2.96Å; L182-S185 PolarHBondContact O-OG 3.01Å; K183-S185 PolarHBondContact O-N 3.32Å; S185-L187 PolarHBondContact O-N 3.44Å; S185-L187 WeakPolarHBondContact OG-CB 3.22Å; S185-L187 PolarHBondContact OG-N 3.25Å; S185-L187 VanDerWaalsContact OG-N 3.14Å; S185-T254 VanDerWaalsContact CB-O 3.29Å; S185-T254 WeakPolarHBondContact CB-O 3.5Å; S185-S256 WeakPolarHBondContact CA-OG 3.25Å; S185-S256 PolarHBondContact N-OG 3.2Å
186	T	96.2	Very high	96.3	Very high	63 Å²	63	42 Å²	42	39%	0.387	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.7	174.5	59.1	0	0	0	0	113	L68 V252 T254	L68-T186 WeakPolarHBondContact CD1-O 3.43Å; T186-V252 PolarHBondContact OG1-O 3Å; T186-T254 WeakPolarHBondContact CG2-OG1 3.35Å; T186-T254 PolarHBondContact N-O 3.25Å; T186-T254 PolarHBondContact OG1-N 3.13Å; T186-T254 PolarHBondContact OG1-O 3.33Å; T186-T254 PolarHBondContact OG1-OG1 2.8Å
187	L	97.5	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.8	-176	-53.1	-177.1	0	0	0	112.8	L68 Y118 W178 L182 S185 G189 H190 P253 L255 Y331	L68-L187 HydrophobicContact CD1-CD2 4.24Å; L68-L187 HydrophobicContact CD2-CD2 4.03Å; Y118-L187 HydrophobicContact CD1-CB 3.68Å; Y118-L187 HydrophobicContact CD1-CD1 4.44Å; Y118-L187 HydrophobicContact CD1-CD2 3.94Å; Y118-L187 HydrophobicContact CD1-CG 4.23Å; Y118-L187 HydrophobicContact CE1-CB 3.8Å; Y118-L187 WeakPolarHBondContact CE1-O 3.47Å; Y118-L187 HydrophobicContact CG-CB 4.35Å; Y118-L187 HydrophobicContact CG-CD1 4.31Å; Y118-L187 HydrophobicContact CG-CD2 4Å; Y118-L187 HydrophobicContact CG-CG 4.45Å; W178-L187 HydrophobicContact CH2-CD1 4.45Å; W178-L187 HydrophobicContact CZ2-CD1 4.37Å; L182-L187 HydrophobicContact CD2-CB 3.5Å; L182-L187 VanDerWaalsContact CD2-CB 3.5Å; L182-L187 HydrophobicContact CD2-CD1 4Å; L182-L187 HydrophobicContact CD2-CG 4.39Å; S185-L187 PolarHBondContact O-N 3.44Å; S185-L187 WeakPolarHBondContact OG-CB 3.22Å; S185-L187 PolarHBondContact OG-N 3.25Å; S185-L187 VanDerWaalsContact OG-N 3.14Å; L187-G189 PolarHBondContact O-N 2.86Å; L187-H190 PolarHBondContact O-N 3.29Å; L187-H190 VanDerWaalsContact O-N 3.14Å; L187-P253 HydrophobicContact CD2-CB 3.69Å; L187-L255 HydrophobicContact CD1-CD2 3.94Å; L187-L255 HydrophobicContact CD1-CG 4.21Å; L187-Y331 HydrophobicContact CD1-CD1 4.41Å; L187-Y331 HydrophobicContact CD1-CD2 3.38Å; L187-Y331 HydrophobicContact CD1-CE2 3.52Å; L187-Y331 HydrophobicContact CD1-CG 3.83Å
188	L	96	Very high	95.9	Very high	91 Å²	91	49.4 Å²	49.4	48%	0.476	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	123.4	-178.4	-175.1	64.6	0	0	0	110.5	L182	L182-L188 HydrophobicContact CB-CD1 4.33Å
189	G	95.1	Very high	95.5	Very high	62 Å²	62	55.2 Å²	55.2	64%	0.639	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	0.8	-178.5	0	0	0	0	0	114.9	L187	L187-G189 PolarHBondContact O-N 2.86Å
190	H	97.2	Very high	95.4	Very high	54 Å²	54	52.6 Å²	52.6	25%	0.25	31%	0.313	C	S	.	.			trans	-115.1	48.7	178	-66.6	-86.8	0	0	0	111.2	S67 L68 E70 Y118 L187 P192	S67-H190 VanDerWaalsContact CB-O 3.32Å; S67-H190 WeakPolarHBondContact CB-O 3.2Å; S67-H190 PolarHBondContact O-ND1 3.34Å; S67-H190 VanDerWaalsContact O-ND1 3.08Å; S67-H190 PolarHBondContact OG-O 2.99Å; L68-H190 HydrophobicContact CD1-CB 4.24Å; E70-H190 PolarHBondContact O-CE1 2.78Å; E70-H190 VanDerWaalsContact O-CE1 3.28Å; Y118-H190 HydrophobicContact CD1-CB 4.24Å; Y118-H190 WeakPolarHBondContact CD1-O 3.28Å; Y118-H190 WeakPolarHBondContact CE1-O 3.27Å; L187-H190 PolarHBondContact O-N 3.29Å; L187-H190 VanDerWaalsContact O-N 3.14Å; H190-P192 WeakPolarHBondContact O-CD 3.4Å
191	D	97.7	Very high	95.3	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.027	34%	0.335	C	S	.	.			trans	-69.6	120.7	-174.3	-167.3	-37.4	0	0	0	111.3	T173 K174 R179 A193 D194	T173-D191 WeakPolarHBondContact CB-OD1 3.46Å; T173-D191 PolarHBondContact OG1-OD1 3.28Å; T173-D191 PolarHBondContact OG1-OD2 2.82Å; K174-D191 WeakPolarHBondContact CE-OD2 3.36Å; K174-D191 VanDerWaalsContact NZ-CG 3.27Å; K174-D191 IonicContact NZ-OD1 3.08Å; K174-D191 IonicContact NZ-OD2 3.65Å; K174-D191 PolarHBondContact NZ-OD2 2.86Å; R179-D191 IonicContact NH1-OD2 3.3Å; R179-D191 PolarHBondContact NH1-OD2 3.48Å; D191-A193 PolarHBondContact O-N 2.98Å; D191-A193 VanDerWaalsContact O-N 3.14Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å; D191-A193 PolarHBondContact OD1-N 2.82Å; D191-D194 WeakPolarHBondContact O-CB 3.25Å; D191-D194 PolarHBondContact O-N 2.85Å
192	P	98.1	Very high	95.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.4	-176.8	27.3	-33.6	0	0	0	113.6	V116 Y118 T168 T173 H190	V116-P192 HydrophobicContact CG2-CB 4.19Å; Y118-P192 HydrophobicContact CD2-CG 4.13Å; Y118-P192 HydrophobicContact CE2-CG 3.98Å; Y118-P192 VanDerWaalsContact CZ-CD 3.49Å; T168-P192 HydrophobicContact CG2-CB 4.42Å; T173-P192 HydrophobicContact CG2-CG 3.97Å; H190-P192 WeakPolarHBondContact O-CD 3.4Å
193	A	97.5	Very high	95.4	Very high	35 Å²	35	62 Å²	62	29%	0.289	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.8	173.5	0	0	0	0	0	113.3	T168 T173 D191	T168-A193 HydrophobicContact CG2-CB 3.94Å; T173-A193 HydrophobicContact CG2-CB 4.15Å; T173-A193 VanDerWaalsContact OG1-CB 3.29Å; T173-A193 WeakPolarHBondContact OG1-CB 3.42Å; D191-A193 PolarHBondContact O-N 2.98Å; D191-A193 VanDerWaalsContact O-N 3.14Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å; D191-A193 PolarHBondContact OD1-N 2.82Å
194	D	96.3	Very high	95.5	Very high	41 Å²	41	60.1 Å²	60.1	22%	0.219	35%	0.352	C	S	.	.			trans	-63.7	132.2	-177.5	-79	-10.1	0	0	0	110.6	G76 K174 D191	G76-D194 VanDerWaalsContact CA-O 3.27Å; G76-D194 WeakPolarHBondContact CA-O 3.47Å; K174-D194 IonicContact NZ-OD1 2.69Å; K174-D194 PolarHBondContact NZ-OD1 3.21Å; D191-D194 WeakPolarHBondContact O-CB 3.25Å; D191-D194 PolarHBondContact O-N 2.85Å
195	P	94.3	Very high	95.6	Very high	97 Å²	97	57 Å²	57	63%	0.63	32%	0.32	S	S	*	.			trans	-71.7	153.2	-177.5	30.4	-35.5	0	0	0	110.9	K197	P195-K197 PolarHBondContact O-N 2.97Å; P195-K197 VanDerWaalsContact O-N 3.11Å
196	L	95.4	Very high	95.7	Very high	19 Å²	19	59.4 Å²	59.4	10%	0.099	33%	0.329	C	S	.	.			trans	-58.7	115	173.1	-175.2	62.9	0	0	0	110.6	Y77 A80 I156 L160 Q198 V200 I205	Y77-L196 HydrophobicContact CD1-CD1 3.43Å; Y77-L196 VanDerWaalsContact CD1-CD1 3.43Å; Y77-L196 HydrophobicContact CE1-CD1 3.62Å; A80-L196 HydrophobicContact CB-CB 4.38Å; A80-L196 HydrophobicContact CB-CD1 4.13Å; A80-L196 HydrophobicContact CB-CD2 3.9Å; A80-L196 HydrophobicContact CB-CG 4.38Å; I156-L196 HydrophobicContact CG2-CD2 4.06Å; L160-L196 HydrophobicContact CD1-CD2 4.39Å; L160-L196 HydrophobicContact CD2-CD2 4.39Å; L196-Q198 PolarHBondContact O-N 2.79Å; L196-V200 HydrophobicContact CD1-CG2 4.3Å; L196-V200 HydrophobicContact CD2-CG1 3.91Å; L196-V200 HydrophobicContact CG-CG1 4.22Å; L196-I205 HydrophobicContact CD1-CD1 4.08Å; L196-I205 HydrophobicContact CD2-CD1 4.03Å
197	K	92	Very high	95.7	Very high	106 Å²	106	59.8 Å²	59.8	46%	0.461	33%	0.329	S	S	.	.			trans	-62.8	133	176.8	-69.4	-178.3	-177.6	168.4	0	110.7	T72 S75 P195	T72-K197 PolarHBondContact O-NZ 2.91Å; S75-K197 VanDerWaalsContact CB-CE 3.47Å; P195-K197 PolarHBondContact O-N 2.97Å; P195-K197 VanDerWaalsContact O-N 3.11Å
198	Q	88.8	Confident	95.7	Very high	108 Å²	108	59.8 Å²	59.8	51%	0.505	33%	0.329	S	S	.	.	S	Bend	trans	-111.4	146.9	179.2	-66.8	-65.7	-23.5	0	0	111.2	L160 L196	L160-Q198 VanDerWaalsContact CD1-NE2 3.33Å; L196-Q198 PolarHBondContact O-N 2.79Å
199	P	90.2	Very high	95.8	Very high	132 Å²	132	56.1 Å²	56.1	86%	0.857	31%	0.309	S	S	*	.	S	Bend	cis	-71.7	152.5	-5.7	31.7	-35.5	0	0	0	112.1
200	V	92.9	Very high	95.9	Very high	29 Å²	29	58.5 Å²	58.5	18%	0.176	30%	0.303	C	S	.	.			trans	-124.8	137.5	175.5	66.3	0	0	0	0	111.6	Y77 I156 L196 I205	Y77-V200 HydrophobicContact CE1-CG2 3.81Å; Y77-V200 WeakPolarHBondContact OH-CG2 3.3Å; I156-V200 HydrophobicContact CG2-CG1 4.32Å; L196-V200 HydrophobicContact CD1-CG2 4.3Å; L196-V200 HydrophobicContact CD2-CG1 3.91Å; L196-V200 HydrophobicContact CG-CG1 4.22Å; V200-I205 HydrophobicContact CG1-CD1 4.2Å; V200-I205 HydrophobicContact CG2-CD1 3.82Å; V200-I205 HydrophobicContact CG2-CG1 3.81Å
201	E	95.1	Very high	95.8	Very high	133 Å²	133	61 Å²	61	62%	0.621	31%	0.313	S	S	*	.			trans	-83.9	124	172.1	-69.7	170.8	-136.3	0	0	109.8	E203 K204	E201-E203 PolarHBondContact O-N 2.75Å; E201-K204 HydrophobicContact CB-CB 4.49Å; E201-K204 HydrophobicContact CB-CG 3.89Å; E201-K204 WeakPolarHBondContact O-CB 3.48Å; E201-K204 PolarHBondContact O-N 2.81Å
202	A	97.3	Very high	95.8	Very high	15 Å²	15	61.3 Å²	61.3	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-35.8	-179.3	0	0	0	0	0	112.9	I151 P153 I156 K204 I205 K206	I151-A202 HydrophobicContact CG2-CB 4.48Å; P153-A202 HydrophobicContact CG-CB 4.11Å; I156-A202 HydrophobicContact CD1-CB 3.62Å; A202-K204 VanDerWaalsContact C-N 3.27Å; A202-K204 PolarHBondContact O-N 3.32Å; A202-I205 PolarHBondContact O-N 3.37Å; A202-K206 PolarHBondContact O-N 2.77Å
203	E	98	Very high	95.8	Very high	93 Å²	93	61.7 Å²	61.7	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-32.9	178.3	-163.9	62.1	-161.3	0	0	112.1	E201 K206 D207	E201-E203 PolarHBondContact O-N 2.75Å; E203-K206 VanDerWaalsContact CD-NZ 3.3Å; E203-K206 WeakPolarHBondContact O-CB 3.4Å; E203-K206 PolarHBondContact O-N 2.96Å; E203-K206 IonicContact OE1-NZ 3.36Å; E203-K206 PolarHBondContact OE1-NZ 3.01Å; E203-K206 IonicContact OE2-NZ 3.04Å; E203-K206 PolarHBondContact OE2-NZ 3.19Å; E203-D207 WeakPolarHBondContact O-CB 3.1Å; E203-D207 PolarHBondContact O-N 3.1Å
204	K	97.9	Very high	95.8	Very high	99 Å²	99	60.1 Å²	60.1	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-68.9	-37.2	177.6	-61.9	-62.1	178.2	-163.5	0	112.7	Y77 E201 A202 K206 F208	Y77-K204 HydrophobicContact CE2-CB 4.11Å; Y77-K204 WeakPolarHBondContact CE2-O 3.37Å; Y77-K204 WeakPolarHBondContact OH-CB 3.47Å; E201-K204 HydrophobicContact CB-CB 4.49Å; E201-K204 HydrophobicContact CB-CG 3.89Å; E201-K204 WeakPolarHBondContact O-CB 3.48Å; E201-K204 PolarHBondContact O-N 2.81Å; A202-K204 VanDerWaalsContact C-N 3.27Å; A202-K204 PolarHBondContact O-N 3.32Å; K204-K206 VanDerWaalsContact C-N 3.34Å; K204-F208 PolarHBondContact O-N 3.32Å; K204-F208 VanDerWaalsContact O-N 3.13Å
205	I	98	Very high	95.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-40.4	173.4	-57.8	-178.3	0	0	0	109.5	Y77 I81 I151 I156 L196 V200 A202 F208 Y209	Y77-I205 HydrophobicContact CD1-CG1 4.21Å; Y77-I205 HydrophobicContact CD2-CG1 4.21Å; Y77-I205 HydrophobicContact CE1-CG1 3.99Å; Y77-I205 HydrophobicContact CE2-CG1 3.98Å; Y77-I205 HydrophobicContact CG-CG1 4.32Å; I81-I205 HydrophobicContact CD1-CG2 4.3Å; I81-I205 HydrophobicContact CG1-CG2 3.79Å; I151-I205 HydrophobicContact CD1-CG2 4.22Å; I151-I205 HydrophobicContact CG2-CB 3.99Å; I151-I205 HydrophobicContact CG2-CG2 4.03Å; I156-I205 HydrophobicContact CD1-CD1 3.78Å; I156-I205 HydrophobicContact CG1-CD1 4.2Å; L196-I205 HydrophobicContact CD1-CD1 4.08Å; L196-I205 HydrophobicContact CD2-CD1 4.03Å; V200-I205 HydrophobicContact CG1-CD1 4.2Å; V200-I205 HydrophobicContact CG2-CD1 3.82Å; V200-I205 HydrophobicContact CG2-CG1 3.81Å; A202-I205 PolarHBondContact O-N 3.37Å; I205-F208 PolarHBondContact O-N 2.84Å; I205-Y209 WeakPolarHBondContact O-CB 3.2Å; I205-Y209 PolarHBondContact O-N 2.89Å
206	K	97.8	Very high	96.1	Very high	65 Å²	65	55.9 Å²	55.9	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176.2	-178.9	171.7	153.1	-120.7	0	112.5	I151 A202 E203 K204 F208 Y209 Q210	I151-K206 HydrophobicContact CB-CB 4.3Å; I151-K206 HydrophobicContact CD1-CB 4.29Å; I151-K206 HydrophobicContact CG2-CB 4.42Å; A202-K206 PolarHBondContact O-N 2.77Å; E203-K206 VanDerWaalsContact CD-NZ 3.3Å; E203-K206 WeakPolarHBondContact O-CB 3.4Å; E203-K206 PolarHBondContact O-N 2.96Å; E203-K206 IonicContact OE1-NZ 3.36Å; E203-K206 PolarHBondContact OE1-NZ 3.01Å; E203-K206 IonicContact OE2-NZ 3.04Å; E203-K206 PolarHBondContact OE2-NZ 3.19Å; K204-K206 VanDerWaalsContact C-N 3.34Å; K206-F208 VanDerWaalsContact C-N 3.35Å; K206-F208 PolarHBondContact O-N 3.42Å; K206-Y209 PolarHBondContact O-N 3.08Å; K206-Q210 HydrophobicContact CG-CG 4.46Å; K206-Q210 WeakPolarHBondContact O-CB 3.45Å; K206-Q210 WeakPolarHBondContact O-CG 3.43Å; K206-Q210 PolarHBondContact O-N 3.41Å
207	D	96.9	Very high	96.2	Very high	70 Å²	70	55.6 Å²	55.6	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-46.5	174	-72	-21.1	0	0	0	111	E203 K211	E203-D207 WeakPolarHBondContact O-CB 3.1Å; E203-D207 PolarHBondContact O-N 3.1Å; D207-K211 VanDerWaalsContact O-CB 3.25Å; D207-K211 WeakPolarHBondContact O-CB 3.41Å; D207-K211 PolarHBondContact O-N 3.35Å
208	F	97.3	Very high	96.5	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-47.1	176.7	-177.9	-81.8	0	0	0	111.5	T65 A69 E70 Q74 Y77 I81 K204 I205 K206 K211 W212	T65-F208 HydrophobicContact CG2-CE1 4.16Å; T65-F208 HydrophobicContact CG2-CZ 4.18Å; A69-F208 HydrophobicContact CB-CE2 4.39Å; A69-F208 HydrophobicContact CB-CZ 4.15Å; E70-F208 HydrophobicContact CB-CE2 4.5Å; E70-F208 HydrophobicContact CG-CE2 3.92Å; E70-F208 HydrophobicContact CG-CZ 3.94Å; Q74-F208 HydrophobicContact CB-CD2 4.48Å; Y77-F208 HydrophobicContact CD2-CB 3.7Å; Y77-F208 HydrophobicContact CD2-CD2 4.17Å; Y77-F208 AromaticContact CD2-CG 3.9Å; Y77-F208 HydrophobicContact CD2-CG 3.9Å; Y77-F208 HydrophobicContact CE2-CB 4.34Å; I81-F208 HydrophobicContact CD1-CD1 3.55Å; I81-F208 HydrophobicContact CD1-CE1 4.01Å; K204-F208 PolarHBondContact O-N 3.32Å; K204-F208 VanDerWaalsContact O-N 3.13Å; I205-F208 PolarHBondContact O-N 2.84Å; K206-F208 VanDerWaalsContact C-N 3.35Å; K206-F208 PolarHBondContact O-N 3.42Å; F208-K211 PolarHBondContact O-N 2.59Å; F208-W212 AromaticContact CD1-CD1 3.9Å; F208-W212 AromaticContact CD2-CD1 3.46Å; F208-W212 VanDerWaalsContact CD2-CD1 3.46Å; F208-W212 AromaticContact CD2-NE1 3.68Å; F208-W212 HydrophobicContact CE1-CB 4.37Å; F208-W212 AromaticContact CE1-CD1 3.84Å; F208-W212 HydrophobicContact CE1-CG 4.36Å; F208-W212 AromaticContact CE2-CD1 3.38Å; F208-W212 HydrophobicContact CE2-CG 4.38Å; F208-W212 AromaticContact CE2-NE1 3.45Å; F208-W212 AromaticContact CG-CD1 3.73Å; F208-W212 AromaticContact CZ-CD1 3.59Å; F208-W212 HydrophobicContact CZ-CG 4.23Å; F208-W212 WeakPolarHBondContact O-CB 3.39Å; F208-W212 VanDerWaalsContact O-CD1 3.28Å; F208-W212 PolarHBondContact O-N 3.3Å
209	Y	97.9	Very high	97	Very high	13 Å²	13	46.5 Å²	46.5	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-50.8	177.6	172.3	-102.4	0	0	0	111.3	I81 T146 G147 K148 L149 I151 I205 K206 K211 W212 Y213	I81-Y209 HydrophobicContact CD1-CD2 4.38Å; I81-Y209 HydrophobicContact CG2-CD2 3.75Å; I81-Y209 HydrophobicContact CG2-CE2 4.23Å; T146-Y209 PolarHBondContact O-OH 3.36Å; G147-Y209 VanDerWaalsContact C-OH 3.31Å; G147-Y209 VanDerWaalsContact CA-OH 3.27Å; G147-Y209 WeakPolarHBondContact CA-OH 3.5Å; G147-Y209 PolarHBondContact N-OH 2.83Å; K148-Y209 PolarHBondContact N-OH 3.43Å; L149-Y209 HydrophobicContact CB-CE1 3.92Å; L149-Y209 HydrophobicContact CB-CE2 3.9Å; L149-Y209 VanDerWaalsContact CB-CZ 3.48Å; L149-Y209 WeakPolarHBondContact CB-OH 3.39Å; L149-Y209 HydrophobicContact CD2-CD2 4.3Å; L149-Y209 HydrophobicContact CD2-CE2 4.07Å; L149-Y209 PolarHBondContact N-OH 2.96Å; I151-Y209 HydrophobicContact CD1-CD1 4Å; I151-Y209 HydrophobicContact CD1-CG 3.83Å; I205-Y209 WeakPolarHBondContact O-CB 3.2Å; I205-Y209 PolarHBondContact O-N 2.89Å; K206-Y209 PolarHBondContact O-N 3.08Å; Y209-K211 VanDerWaalsContact C-N 3.32Å; Y209-K211 PolarHBondContact O-N 2.93Å; Y209-W212 PolarHBondContact O-N 3.26Å; Y209-Y213 AromaticContact CD2-CD1 3.94Å; Y209-Y213 HydrophobicContact CD2-CD1 3.94Å; Y209-Y213 HydrophobicContact CD2-CD2 4.01Å; Y209-Y213 AromaticContact CD2-CG 3.64Å; Y209-Y213 HydrophobicContact CD2-CG 3.64Å; Y209-Y213 AromaticContact CE2-CD1 3.69Å; Y209-Y213 HydrophobicContact CE2-CD1 3.69Å; Y209-Y213 HydrophobicContact CE2-CE1 4.43Å; Y209-Y213 AromaticContact CE2-CG 3.77Å; Y209-Y213 HydrophobicContact CE2-CG 3.77Å; Y209-Y213 WeakPolarHBondContact O-CA 3.43Å; Y209-Y213 VanDerWaalsContact O-CB 3.3Å; Y209-Y213 WeakPolarHBondContact O-CB 3.47Å; Y209-Y213 PolarHBondContact O-N 2.94Å
210	Q	96.8	Very high	97.4	Very high	112 Å²	112	40.2 Å²	40.2	52%	0.523	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-36	179.5	-71.4	178.7	-15.2	0	0	113.1	K206	K206-Q210 HydrophobicContact CG-CG 4.46Å; K206-Q210 WeakPolarHBondContact O-CB 3.45Å; K206-Q210 WeakPolarHBondContact O-CG 3.43Å; K206-Q210 PolarHBondContact O-N 3.41Å
211	K	96.7	Very high	97.7	Very high	106 Å²	106	38.9 Å²	38.9	46%	0.461	19%	0.186	S	C	.	.	H	α-helix	trans	-69	-39.7	178	179.3	175.4	179	175.7	0	112.5	D207 F208 Y209	D207-K211 VanDerWaalsContact O-CB 3.25Å; D207-K211 WeakPolarHBondContact O-CB 3.41Å; D207-K211 PolarHBondContact O-N 3.35Å; F208-K211 PolarHBondContact O-N 2.59Å; Y209-K211 VanDerWaalsContact C-N 3.32Å; Y209-K211 PolarHBondContact O-N 2.93Å
212	W	97.5	Very high	97.8	Very high	13 Å²	13	32.5 Å²	32.5	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-107.2	-31.4	-166.8	-69.4	115	0	0	0	114.4	T65 A69 F208 Y209 T214 R246 T248	T65-W212 HydrophobicContact CG2-CB 3.69Å; T65-W212 HydrophobicContact CG2-CG 4.15Å; T65-W212 PolarHBondContact OG1-O 3.41Å; A69-W212 HydrophobicContact CB-CD2 3.9Å; A69-W212 HydrophobicContact CB-CE3 4.16Å; A69-W212 HydrophobicContact CB-CG 4.47Å; A69-W212 HydrophobicContact CB-CH2 4.07Å; A69-W212 HydrophobicContact CB-CZ2 3.78Å; A69-W212 HydrophobicContact CB-CZ3 4.25Å; F208-W212 AromaticContact CD1-CD1 3.9Å; F208-W212 AromaticContact CD2-CD1 3.46Å; F208-W212 VanDerWaalsContact CD2-CD1 3.46Å; F208-W212 AromaticContact CD2-NE1 3.68Å; F208-W212 HydrophobicContact CE1-CB 4.37Å; F208-W212 AromaticContact CE1-CD1 3.84Å; F208-W212 HydrophobicContact CE1-CG 4.36Å; F208-W212 AromaticContact CE2-CD1 3.38Å; F208-W212 HydrophobicContact CE2-CG 4.38Å; F208-W212 AromaticContact CE2-NE1 3.45Å; F208-W212 AromaticContact CG-CD1 3.73Å; F208-W212 AromaticContact CZ-CD1 3.59Å; F208-W212 HydrophobicContact CZ-CG 4.23Å; F208-W212 WeakPolarHBondContact O-CB 3.39Å; F208-W212 VanDerWaalsContact O-CD1 3.28Å; F208-W212 PolarHBondContact O-N 3.3Å; Y209-W212 PolarHBondContact O-N 3.26Å; W212-T214 VanDerWaalsContact C-N 3.29Å; W212-T214 PolarHBondContact O-N 2.98Å; W212-T214 VanDerWaalsContact O-N 3.1Å; W212-R246 PolarHBondContact O-NH2 3.46Å; W212-T248 HydrophobicContact CH2-CG2 4.27Å
213	Y	97.8	Very high	97.9	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.031	15%	0.151	C	C	.	.			trans	-88.8	66.6	178	-77	-123.2	0	0	0	110.1	V63 T65 I81 T121 F123 T146 Y209	V63-Y213 HydrophobicContact CG1-CD1 4.19Å; V63-Y213 HydrophobicContact CG1-CD2 4.36Å; V63-Y213 HydrophobicContact CG1-CE1 4.39Å; V63-Y213 HydrophobicContact CG1-CG 4.18Å; V63-Y213 HydrophobicContact CG2-CD1 4.15Å; V63-Y213 HydrophobicContact CG2-CE1 4.11Å; T65-Y213 HydrophobicContact CG2-CE2 4.22Å; I81-Y213 HydrophobicContact CD1-CE2 4.2Å; I81-Y213 HydrophobicContact CG2-CE1 3.87Å; I81-Y213 HydrophobicContact CG2-CE2 4.1Å; T121-Y213 WeakPolarHBondContact CG2-OH 3.4Å; T121-Y213 PolarHBondContact OG1-OH 2.95Å; F123-Y213 HydrophobicContact CE2-CE1 4.45Å; T146-Y213 HydrophobicContact CG2-CD1 4.33Å; Y209-Y213 AromaticContact CD2-CD1 3.94Å; Y209-Y213 HydrophobicContact CD2-CD1 3.94Å; Y209-Y213 HydrophobicContact CD2-CD2 4.01Å; Y209-Y213 AromaticContact CD2-CG 3.64Å; Y209-Y213 HydrophobicContact CD2-CG 3.64Å; Y209-Y213 AromaticContact CE2-CD1 3.69Å; Y209-Y213 HydrophobicContact CE2-CD1 3.69Å; Y209-Y213 HydrophobicContact CE2-CE1 4.43Å; Y209-Y213 AromaticContact CE2-CG 3.77Å; Y209-Y213 HydrophobicContact CE2-CG 3.77Å; Y209-Y213 WeakPolarHBondContact O-CA 3.43Å; Y209-Y213 VanDerWaalsContact O-CB 3.3Å; Y209-Y213 WeakPolarHBondContact O-CB 3.47Å; Y209-Y213 PolarHBondContact O-N 2.94Å
214	T	97.9	Very high	97.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	13%	0.13	C	C	.	.			trans	-105.5	145.2	178.8	60.1	0	0	0	0	111.3	W212 D216 A217 M218 R246	W212-T214 VanDerWaalsContact C-N 3.29Å; W212-T214 PolarHBondContact O-N 2.98Å; W212-T214 VanDerWaalsContact O-N 3.1Å; T214-D216 VanDerWaalsContact C-N 3.27Å; T214-D216 WeakPolarHBondContact CB-OD1 3.45Å; T214-D216 PolarHBondContact O-N 3.15Å; T214-D216 PolarHBondContact OG1-OD1 2.98Å; T214-A217 PolarHBondContact O-N 2.61Å; T214-M218 WeakPolarHBondContact O-CG 3.29Å; T214-R246 PolarHBondContact OG1-N 3.29Å
215	P	98.3	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-56.5	-36	-174.7	-27.7	36.2	0	0	0	114.2	N40 L42 A217 M218 L242 K243	N40-P215 HydrophobicContact CB-CB 4.14Å; N40-P215 HydrophobicContact CB-CG 4.43Å; L42-P215 WeakPolarHBondContact CA-O 3.15Å; L42-P215 HydrophobicContact CB-CB 3.99Å; L42-P215 WeakPolarHBondContact CB-O 3.37Å; L42-P215 PolarHBondContact N-O 3.4Å; P215-A217 PolarHBondContact O-N 3.45Å; P215-A217 VanDerWaalsContact O-N 3.12Å; P215-M218 WeakPolarHBondContact O-CB 3.34Å; P215-M218 PolarHBondContact O-N 2.96Å; P215-L242 HydrophobicContact CB-CB 4.44Å; P215-L242 HydrophobicContact CG-CB 3.48Å; P215-L242 VanDerWaalsContact CG-CB 3.48Å; P215-K243 WeakPolarHBondContact CD-O 3.36Å
216	D	97.6	Very high	97.9	Very high	48 Å²	48	25.5 Å²	25.5	26%	0.257	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-65	-12.1	178.1	66.9	-48.4	0	0	0	114.8	T214 K245 R246	T214-D216 VanDerWaalsContact C-N 3.27Å; T214-D216 WeakPolarHBondContact CB-OD1 3.45Å; T214-D216 PolarHBondContact O-N 3.15Å; T214-D216 PolarHBondContact OG1-OD1 2.98Å; D216-K245 WeakPolarHBondContact OD1-CA 3.24Å; D216-R246 PolarHBondContact OD1-N 2.75Å; D216-R246 WeakPolarHBondContact OD2-CB 3.18Å; D216-R246 PolarHBondContact OD2-N 2.95Å
217	A	97.2	Very high	97.8	Very high	12 Å²	12	27 Å²	27	10%	0.099	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-105.6	12.8	173.8	0	0	0	0	0	113.2	N64 T214 P215	N64-A217 HydrophobicContact CB-CB 4.43Å; N64-A217 PolarHBondContact N-O 3.43Å; T214-A217 PolarHBondContact O-N 2.61Å; P215-A217 PolarHBondContact O-N 3.45Å; P215-A217 VanDerWaalsContact O-N 3.12Å
218	M	98.5	Very high	97.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.7	-177.4	-61.2	179.3	-168.3	0	0	112.4	L42 Q43 L61 L62 V63 T146 T214 P215	L42-M218 HydrophobicContact CD1-CB 3.85Å; L42-M218 HydrophobicContact CD1-SD 4.17Å; L42-M218 HydrophobicContact CG-CB 4.16Å; Q43-M218 PolarHBondContact N-O 2.94Å; L61-M218 HydrophobicContact CD1-CB 4.14Å; L62-M218 CarbonylContact O-C 3.48Å; L62-M218 WeakPolarHBondContact O-CA 3.44Å; V63-M218 HydrophobicContact CG2-CG 4.22Å; T146-M218 WeakPolarHBondContact O-CE 3.24Å; T214-M218 WeakPolarHBondContact O-CG 3.29Å; P215-M218 WeakPolarHBondContact O-CB 3.34Å; P215-M218 PolarHBondContact O-N 2.96Å
219	T	98.6	Very high	97.8	Very high	22 Å²	22	33.8 Å²	33.8	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.4	170.1	-50	0	0	0	0	109.6	Q43 L62 L221	Q43-T219 HydrophobicContact CB-CG2 4.19Å; Q43-T219 CarbonylContact O-C 3.51Å; Q43-T219 VanDerWaalsContact O-CA 3.32Å; Q43-T219 WeakPolarHBondContact O-CA 3.45Å; Q43-T219 PolarHBondContact OE1-OG1 3.47Å; L62-T219 WeakPolarHBondContact CD1-O 3.34Å; L62-T219 PolarHBondContact N-O 3.21Å; L62-T219 PolarHBondContact O-N 3.21Å; T219-L221 HydrophobicContact CG2-CD1 3.9Å
220	L	98.9	Very high	97.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.3	173.8	179.7	68.7	0	0	0	110.1	Q43 W44 Q45 I59 R60 L61 L139 L142 V222 I235 F239	Q43-L220 PolarHBondContact O-N 2.98Å; W44-L220 CarbonylContact C-O 3.26Å; W44-L220 VanDerWaalsContact CA-O 3.22Å; W44-L220 WeakPolarHBondContact CA-O 3.25Å; W44-L220 HydrophobicContact CB-CB 4.41Å; Q45-L220 PolarHBondContact N-O 2.98Å; I59-L220 HydrophobicContact CG2-CD1 3.85Å; R60-L220 CarbonylContact O-C 3.58Å; R60-L220 WeakPolarHBondContact O-CA 3.44Å; L61-L220 HydrophobicContact CB-CD1 4.16Å; L61-L220 HydrophobicContact CD1-CB 4.13Å; L61-L220 HydrophobicContact CD1-CD1 4.36Å; L139-L220 HydrophobicContact CD2-CD1 4.38Å; L139-L220 HydrophobicContact CD2-CD2 3.73Å; L142-L220 HydrophobicContact CD1-CD1 4.27Å; L220-V222 HydrophobicContact CG-CG2 4.39Å; L220-I235 HydrophobicContact CD2-CD1 3.69Å; L220-I235 HydrophobicContact CD2-CG1 3.61Å; L220-I235 HydrophobicContact CD2-CG2 4.27Å; L220-F239 HydrophobicContact CD2-CD2 4.31Å; L220-F239 HydrophobicContact CD2-CE2 3.84Å; L220-F239 HydrophobicContact CD2-CZ 4.23Å
221	L	98.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.3	172.8	-63.4	88.1	0	0	0	110.1	W33 Q45 I59 R60 L62 T219 M398 R401 M402 L405	W33-L221 HydrophobicContact CZ3-CD2 4.31Å; Q45-L221 HydrophobicContact CB-CG 4.29Å; Q45-L221 CarbonylContact O-C 3.38Å; Q45-L221 VanDerWaalsContact O-CA 3.3Å; Q45-L221 WeakPolarHBondContact O-CA 3.47Å; I59-L221 VanDerWaalsContact CA-O 3.31Å; I59-L221 WeakPolarHBondContact CA-O 3.21Å; R60-L221 HydrophobicContact CB-CB 4.37Å; R60-L221 PolarHBondContact N-O 2.99Å; R60-L221 PolarHBondContact O-N 2.95Å; L62-L221 HydrophobicContact CD1-CD1 3.24Å; T219-L221 HydrophobicContact CG2-CD1 3.9Å; L221-M398 HydrophobicContact CB-CE 3.81Å; L221-M398 HydrophobicContact CB-SD 3.75Å; L221-M398 HydrophobicContact CD2-SD 4.02Å; L221-R401 HydrophobicContact CD2-CB 4.35Å; L221-R401 HydrophobicContact CD2-CG 3.62Å; L221-M402 HydrophobicContact CD1-SD 4.09Å; L221-M402 HydrophobicContact CD2-SD 4.2Å; L221-L405 HydrophobicContact CD1-CD1 4.26Å; L221-L405 HydrophobicContact CD2-CD1 3.91Å
222	V	98.8	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123	173.3	-176.2	0	0	0	0	109.2	Q45 V46 L47 V57 E58 I59 L220 V226 V231	Q45-V222 PolarHBondContact O-N 3.46Å; V46-V222 CarbonylContact C-O 3.53Å; V46-V222 VanDerWaalsContact CA-O 3.29Å; V46-V222 WeakPolarHBondContact CA-O 3.33Å; V46-V222 HydrophobicContact CG2-CB 4.33Å; L47-V222 PolarHBondContact N-O 3.4Å; V57-V222 HydrophobicContact CG1-CG1 3.94Å; E58-V222 CarbonylContact O-C 2.97Å; E58-V222 WeakPolarHBondContact O-CA 3.4Å; I59-V222 HydrophobicContact CG2-CG2 4.43Å; L220-V222 HydrophobicContact CG-CG2 4.39Å; V222-V226 HydrophobicContact CG1-CG2 4.44Å; V222-V231 HydrophobicContact CB-CG1 4.44Å; V222-V231 HydrophobicContact CG1-CG1 4.41Å; V222-V231 HydrophobicContact CG2-CG1 4.25Å
223	V	98.6	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122	178.4	-179	0	0	0	0	109.3	W33 L47 T49 V57 E58 T394 L397 M398	W33-V223 HydrophobicContact CH2-CG2 3.33Å; W33-V223 HydrophobicContact CZ2-CG2 4.23Å; W33-V223 HydrophobicContact CZ3-CG2 3.85Å; L47-V223 HydrophobicContact CB-CG1 4.26Å; L47-V223 HydrophobicContact CB-CG2 4.12Å; L47-V223 HydrophobicContact CD2-CG1 4.06Å; L47-V223 HydrophobicContact CG-CG1 4.43Å; L47-V223 WeakPolarHBondContact O-CA 3.4Å; T49-V223 HydrophobicContact CG2-CG1 4.24Å; V57-V223 CarbonylContact C-O 3.54Å; V57-V223 WeakPolarHBondContact CA-O 3.26Å; E58-V223 HydrophobicContact CB-CB 4.35Å; E58-V223 PolarHBondContact N-O 3.02Å; E58-V223 PolarHBondContact O-N 2.92Å; V223-T394 HydrophobicContact CG1-CG2 4.1Å; V223-L397 HydrophobicContact CG1-CB 4.25Å; V223-M398 HydrophobicContact CB-CE 4Å; V223-M398 HydrophobicContact CG2-CB 4.23Å; V223-M398 HydrophobicContact CG2-CE 3.5Å; V223-M398 VanDerWaalsContact CG2-CE 3.5Å; V223-M398 HydrophobicContact CG2-SD 4.08Å
224	G	98.2	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-180	176.1	0	0	0	0	0	114.1	L47 T48 T49 V226	L47-G224 PolarHBondContact O-N 3.42Å; T48-G224 CarbonylContact C-O 3.42Å; T48-G224 WeakPolarHBondContact CA-O 3.38Å; T49-G224 PolarHBondContact N-O 2.81Å; T49-G224 VanDerWaalsContact OG1-CA 3.27Å; T49-G224 WeakPolarHBondContact OG1-CA 3.29Å; T49-G224 PolarHBondContact OG1-O 3.36Å; G224-V226 VanDerWaalsContact C-N 3.33Å; G224-V226 PolarHBondContact O-N 2.9Å
225	N	97.6	Very high	97.9	Very high	45 Å²	45	32.4 Å²	32.4	24%	0.241	17%	0.166	C	C	.	.	S	Bend	trans	-76.8	84.6	173.2	-176.3	29	0	0	0	110.2	T49 P50	T49-N225 PolarHBondContact OG1-N 3.46Å; P50-N225 WeakPolarHBondContact CA-OD1 3.42Å
226	V	97.9	Very high	97.9	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.085	19%	0.188	C	C	.	.			trans	-133	155.2	-177.3	-62.1	0	0	0	0	110.8	V46 T48 V57 L135 V222 G224 A228 V231	V46-V226 HydrophobicContact CG1-CG2 4.42Å; T48-V226 HydrophobicContact CG2-CG2 4.32Å; T48-V226 VanDerWaalsContact CG2-O 3.32Å; T48-V226 WeakPolarHBondContact CG2-O 3.27Å; V57-V226 HydrophobicContact CG1-CG1 3.9Å; V57-V226 HydrophobicContact CG2-CG1 3.77Å; L135-V226 HydrophobicContact CD2-CG1 4.06Å; V222-V226 HydrophobicContact CG1-CG2 4.44Å; G224-V226 VanDerWaalsContact C-N 3.33Å; G224-V226 PolarHBondContact O-N 2.9Å; V226-A228 PolarHBondContact O-N 2.99Å; V226-V231 HydrophobicContact CB-CG2 3.9Å; V226-V231 HydrophobicContact CG2-CG2 3.83Å
227	D	96.8	Very high	97.8	Very high	98 Å²	98	41.9 Å²	41.9	52%	0.524	21%	0.209	S	C	.	.			trans	-76.5	110	170.3	177.5	68.3	0	0	0	110.1	R229 S230 V231	D227-R229 VanDerWaalsContact C-N 3.29Å; D227-R229 PolarHBondContact O-N 3.46Å; D227-S230 PolarHBondContact O-N 3.11Å; D227-S230 WeakPolarHBondContact OD2-CB 3.11Å; D227-S230 PolarHBondContact OD2-N 3.32Å; D227-V231 WeakPolarHBondContact O-CG2 3.23Å; D227-V231 PolarHBondContact O-N 2.88Å
228	A	96.2	Very high	97.8	Very high	11 Å²	11	42.7 Å²	42.7	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-42.2	-174.8	0	0	0	0	0	113	Q34 T48 V226 V231 V232	Q34-A228 VanDerWaalsContact NE2-CB 3.29Å; T48-A228 HydrophobicContact CG2-CB 3.73Å; V226-A228 PolarHBondContact O-N 2.99Å; A228-V231 PolarHBondContact O-N 3.28Å; A228-V232 VanDerWaalsContact O-CG2 3.28Å; A228-V232 WeakPolarHBondContact O-CG2 3.28Å; A228-V232 PolarHBondContact O-N 3.14Å
229	R	96.5	Very high	97.8	Very high	201 Å²	201	42.6 Å²	42.6	76%	0.758	21%	0.212	S	C	*	.	H	α-helix	trans	-64.6	-49.5	-177.3	-67.1	-177.5	-176	173.3	2.2	110.9	D227 V231 V232 D233	D227-R229 VanDerWaalsContact C-N 3.29Å; D227-R229 PolarHBondContact O-N 3.46Å; R229-V231 VanDerWaalsContact C-N 3.3Å; R229-V231 PolarHBondContact O-N 2.69Å; R229-V232 PolarHBondContact O-N 3.04Å; R229-D233 WeakPolarHBondContact O-CB 3.46Å; R229-D233 PolarHBondContact O-N 3.16Å
230	S	96.9	Very high	97.8	Very high	45 Å²	45	42.5 Å²	42.5	32%	0.315	22%	0.215	S	C	.	.	H	α-helix	trans	-57.9	-41.7	175.3	173.7	0	0	0	0	111.9	D227 Q234	D227-S230 PolarHBondContact O-N 3.11Å; D227-S230 WeakPolarHBondContact OD2-CB 3.11Å; D227-S230 PolarHBondContact OD2-N 3.32Å; S230-Q234 WeakPolarHBondContact O-CB 3.46Å; S230-Q234 VanDerWaalsContact O-CG 3.22Å; S230-Q234 WeakPolarHBondContact O-CG 3.4Å; S230-Q234 PolarHBondContact O-N 3.12Å; S230-Q234 PolarHBondContact OG-NE2 3.47Å
231	V	98.1	Very high	97.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-48.1	177.3	174	0	0	0	0	111.1	V46 L135 V222 V226 D227 A228 R229 D233 Q234 I235	V46-V231 HydrophobicContact CG2-CG1 3.98Å; L135-V231 HydrophobicContact CD2-CG2 3.66Å; V222-V231 HydrophobicContact CB-CG1 4.44Å; V222-V231 HydrophobicContact CG1-CG1 4.41Å; V222-V231 HydrophobicContact CG2-CG1 4.25Å; V226-V231 HydrophobicContact CB-CG2 3.9Å; V226-V231 HydrophobicContact CG2-CG2 3.83Å; D227-V231 WeakPolarHBondContact O-CG2 3.23Å; D227-V231 PolarHBondContact O-N 2.88Å; A228-V231 PolarHBondContact O-N 3.28Å; R229-V231 VanDerWaalsContact C-N 3.3Å; R229-V231 PolarHBondContact O-N 2.69Å; V231-D233 VanDerWaalsContact C-N 3.34Å; V231-D233 PolarHBondContact O-N 3.02Å; V231-Q234 PolarHBondContact O-N 3.21Å; V231-I235 HydrophobicContact CG1-CD1 3.7Å; V231-I235 HydrophobicContact CG1-CG1 4.28Å; V231-I235 VanDerWaalsContact O-CG1 3.24Å; V231-I235 WeakPolarHBondContact O-CG1 3.32Å; V231-I235 PolarHBondContact O-N 3Å
232	V	98	Very high	97.5	Very high	30 Å²	30	48 Å²	48	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-41.6	179.2	172.4	0	0	0	0	111.5	W44 A228 R229 Q234 I235 N236	W44-V232 HydrophobicContact CE3-CG2 4.17Å; W44-V232 HydrophobicContact CH2-CG1 4.08Å; W44-V232 HydrophobicContact CH2-CG2 3.58Å; W44-V232 HydrophobicContact CZ2-CG1 3.81Å; W44-V232 HydrophobicContact CZ2-CG2 4.09Å; W44-V232 HydrophobicContact CZ3-CG2 3.63Å; A228-V232 VanDerWaalsContact O-CG2 3.28Å; A228-V232 WeakPolarHBondContact O-CG2 3.28Å; A228-V232 PolarHBondContact O-N 3.14Å; R229-V232 PolarHBondContact O-N 3.04Å; V232-Q234 PolarHBondContact O-N 2.88Å; V232-I235 PolarHBondContact O-N 2.79Å; V232-N236 WeakPolarHBondContact O-CB 3.1Å; V232-N236 PolarHBondContact O-N 2.54Å
233	D	97.9	Very high	97.3	Very high	109 Å²	109	56.1 Å²	56.1	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-63	-41.9	175.9	-74.1	-16.8	0	0	0	111.8	R229 V231 N236 K237	R229-D233 WeakPolarHBondContact O-CB 3.46Å; R229-D233 PolarHBondContact O-N 3.16Å; V231-D233 VanDerWaalsContact C-N 3.34Å; V231-D233 PolarHBondContact O-N 3.02Å; D233-N236 PolarHBondContact O-N 3.21Å; D233-K237 WeakPolarHBondContact O-CB 3.3Å; D233-K237 PolarHBondContact O-N 2.73Å
234	Q	97.8	Very high	97.1	Very high	40 Å²	40	58.2 Å²	58.2	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-65.7	-40.2	175.3	-73.4	176.9	31.4	0	0	112.1	L139 S230 V231 V232 K237 T238	L139-Q234 HydrophobicContact CD1-CB 3.82Å; S230-Q234 WeakPolarHBondContact O-CB 3.46Å; S230-Q234 VanDerWaalsContact O-CG 3.22Å; S230-Q234 WeakPolarHBondContact O-CG 3.4Å; S230-Q234 PolarHBondContact O-N 3.12Å; S230-Q234 PolarHBondContact OG-NE2 3.47Å; V231-Q234 PolarHBondContact O-N 3.21Å; V232-Q234 PolarHBondContact O-N 2.88Å; Q234-K237 PolarHBondContact O-N 3.41Å; Q234-T238 WeakPolarHBondContact O-CB 3.37Å; Q234-T238 PolarHBondContact O-N 2.82Å; Q234-T238 PolarHBondContact O-OG1 3.34Å
235	I	98.4	Very high	96.9	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-50.3	174.7	-70.2	168.5	0	0	0	109.6	L38 L42 W44 V46 L139 L220 V231 V232 K237 T238 F239	L38-I235 HydrophobicContact CD1-CG2 4.21Å; L42-I235 HydrophobicContact CD2-CG2 4.45Å; W44-I235 HydrophobicContact CB-CD1 4.16Å; W44-I235 HydrophobicContact CB-CG2 4.13Å; W44-I235 HydrophobicContact CG-CD1 4.46Å; W44-I235 HydrophobicContact CG-CG2 4.11Å; V46-I235 HydrophobicContact CG2-CD1 4.32Å; L139-I235 HydrophobicContact CD1-CG1 4.27Å; L139-I235 HydrophobicContact CD2-CG1 4.43Å; L220-I235 HydrophobicContact CD2-CD1 3.69Å; L220-I235 HydrophobicContact CD2-CG1 3.61Å; L220-I235 HydrophobicContact CD2-CG2 4.27Å; V231-I235 HydrophobicContact CG1-CD1 3.7Å; V231-I235 HydrophobicContact CG1-CG1 4.28Å; V231-I235 VanDerWaalsContact O-CG1 3.24Å; V231-I235 WeakPolarHBondContact O-CG1 3.32Å; V231-I235 PolarHBondContact O-N 3Å; V232-I235 PolarHBondContact O-N 2.79Å; I235-K237 PolarHBondContact O-N 3.33Å; I235-T238 PolarHBondContact O-N 2.84Å; I235-F239 HydrophobicContact CG2-CD2 4.29Å; I235-F239 WeakPolarHBondContact O-CB 3.39Å; I235-F239 PolarHBondContact O-N 3.09Å
236	N	98	Very high	96.6	Very high	88 Å²	88	65.2 Å²	65.2	47%	0.471	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-45.3	-179.9	-172.2	31	0	0	0	111.7	L38 V232 D233 T238 G240	L38-N236 HydrophobicContact CD2-CB 4.21Å; V232-N236 WeakPolarHBondContact O-CB 3.1Å; V232-N236 PolarHBondContact O-N 2.54Å; D233-N236 PolarHBondContact O-N 3.21Å; N236-T238 PolarHBondContact O-N 2.81Å; N236-G240 VanDerWaalsContact O-CA 3.23Å; N236-G240 WeakPolarHBondContact O-CA 3.18Å; N236-G240 PolarHBondContact O-N 3.29Å
237	K	97.2	Very high	96.4	Very high	160 Å²	160	73.6 Å²	73.6	70%	0.696	36%	0.364	S	S	*	.	H	α-helix	trans	-64.6	-40.6	178.2	-177.1	174	179.4	173.1	0	113.1	D233 Q234 I235	D233-K237 WeakPolarHBondContact O-CB 3.3Å; D233-K237 PolarHBondContact O-N 2.73Å; Q234-K237 PolarHBondContact O-N 3.41Å; I235-K237 PolarHBondContact O-N 3.33Å
238	T	97.3	Very high	96.1	Very high	29 Å²	29	71.9 Å²	71.9	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-86.8	-43.6	-170.3	-49.9	0	0	0	0	111.9	A143 Q234 I235 N236	A143-T238 HydrophobicContact CB-CG2 3.66Å; Q234-T238 WeakPolarHBondContact O-CB 3.37Å; Q234-T238 PolarHBondContact O-N 2.82Å; Q234-T238 PolarHBondContact O-OG1 3.34Å; I235-T238 PolarHBondContact O-N 2.84Å; N236-T238 PolarHBondContact O-N 2.81Å
239	F	98.3	Very high	95.8	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-96.3	-22	-176.4	-69.8	-89.5	0	0	0	113.5	L38 N40 L42 L61 L139 L142 A143 L220 I235 E241 L242	L38-F239 HydrophobicContact CD1-CB 3.77Å; N40-F239 PolarHBondContact ND2-O 3.17Å; L42-F239 HydrophobicContact CD1-CB 3.94Å; L42-F239 HydrophobicContact CD1-CD1 3.52Å; L42-F239 HydrophobicContact CD1-CE1 4.33Å; L42-F239 HydrophobicContact CD1-CG 3.97Å; L42-F239 HydrophobicContact CD2-CB 4.3Å; L61-F239 HydrophobicContact CD2-CE1 4.06Å; L139-F239 HydrophobicContact CB-CE2 4.11Å; L139-F239 HydrophobicContact CD2-CE2 3.97Å; L142-F239 HydrophobicContact CB-CE1 4.49Å; L142-F239 HydrophobicContact CB-CZ 3.96Å; A143-F239 HydrophobicContact CB-CD1 3.91Å; A143-F239 HydrophobicContact CB-CE1 3.73Å; A143-F239 HydrophobicContact CB-CE2 4.38Å; A143-F239 HydrophobicContact CB-CG 4.33Å; A143-F239 HydrophobicContact CB-CZ 3.98Å; L220-F239 HydrophobicContact CD2-CD2 4.31Å; L220-F239 HydrophobicContact CD2-CE2 3.84Å; L220-F239 HydrophobicContact CD2-CZ 4.23Å; I235-F239 HydrophobicContact CG2-CD2 4.29Å; I235-F239 WeakPolarHBondContact O-CB 3.39Å; I235-F239 PolarHBondContact O-N 3.09Å; F239-E241 PolarHBondContact O-N 3.49Å; F239-L242 HydrophobicContact CD1-CD1 3.8Å; F239-L242 WeakPolarHBondContact O-CB 3.16Å; F239-L242 WeakPolarHBondContact O-CG 3Å; F239-L242 PolarHBondContact O-N 3Å; F239-L242 VanDerWaalsContact O-N 3.09Å
240	G	97.4	Very high	95.5	Very high	19 Å²	19	68.2 Å²	68.2	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.9	179.2	0	0	0	0	0	113.8	N236 L242	N236-G240 VanDerWaalsContact O-CA 3.23Å; N236-G240 WeakPolarHBondContact O-CA 3.18Å; N236-G240 PolarHBondContact O-N 3.29Å; G240-L242 VanDerWaalsContact C-N 3.34Å
241	E	94	Very high	95.3	Very high	113 Å²	113	68.8 Å²	68.8	53%	0.528	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-20.5	174.3	-65.8	-173.8	169.1	0	0	113.5	K148 F239 K243	K148-E241 IonicContact NZ-OE2 3.5Å; K148-E241 PolarHBondContact NZ-OE2 2.71Å; F239-E241 PolarHBondContact O-N 3.49Å; E241-K243 VanDerWaalsContact O-CE 3.24Å; E241-K243 WeakPolarHBondContact O-CE 3.47Å
242	L	96.9	Very high	95	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.026	39%	0.391	C	S	.	.			trans	-62.5	142.8	-177.1	-59.2	-172	0	0	0	110.8	N40 A143 P215 F239 G240	N40-L242 PolarHBondContact ND2-O 3.36Å; A143-L242 HydrophobicContact CB-CD1 4.47Å; P215-L242 HydrophobicContact CB-CB 4.44Å; P215-L242 HydrophobicContact CG-CB 3.48Å; P215-L242 VanDerWaalsContact CG-CB 3.48Å; F239-L242 HydrophobicContact CD1-CD1 3.8Å; F239-L242 WeakPolarHBondContact O-CB 3.16Å; F239-L242 WeakPolarHBondContact O-CG 3Å; F239-L242 PolarHBondContact O-N 3Å; F239-L242 VanDerWaalsContact O-N 3.09Å; G240-L242 VanDerWaalsContact C-N 3.34Å
243	K	95.6	Very high	94.9	Very high	170 Å²	170	72.9 Å²	72.9	74%	0.739	39%	0.389	S	S	*	.			trans	-116.3	164.2	-174.9	-55.4	-56.6	178.6	-165.3	0	110.7	P215 E241	P215-K243 WeakPolarHBondContact CD-O 3.36Å; E241-K243 VanDerWaalsContact O-CE 3.24Å; E241-K243 WeakPolarHBondContact O-CE 3.47Å
244	G	93.9	Very high	94.8	Very high	44 Å²	44	69.9 Å²	69.9	45%	0.454	37%	0.374	S	S	.	.			trans	105.9	154.3	-177.7	0	0	0	0	0	111.6
245	K	95.1	Very high	94.8	Very high	162 Å²	162	68.3 Å²	68.3	70%	0.704	37%	0.367	S	S	*	.			trans	-148.4	138	171.9	-176.9	175.3	-179.9	177.5	0	107.3	D216 E247	D216-K245 WeakPolarHBondContact OD1-CA 3.24Å; K245-E247 PolarHBondContact O-N 3.1Å
246	R	91	Very high	94.8	Very high	30 Å²	30	69.9 Å²	69.9	11%	0.113	38%	0.378	C	S	.	.			trans	-72.6	121.2	179.9	-170.7	172.8	-68.5	-174.5	-4.4	110.3	N64 T65 W212 T214 D216 T248	N64-R246 PolarHBondContact O-NH1 3.37Å; N64-R246 PolarHBondContact O-NH2 3.01Å; N64-R246 VanDerWaalsContact O-NH2 3.1Å; T65-R246 PolarHBondContact OG1-NH2 3Å; W212-R246 PolarHBondContact O-NH2 3.46Å; T214-R246 PolarHBondContact OG1-N 3.29Å; D216-R246 PolarHBondContact OD1-N 2.75Å; D216-R246 WeakPolarHBondContact OD2-CB 3.18Å; D216-R246 PolarHBondContact OD2-N 2.95Å; R246-T248 WeakPolarHBondContact CD-O 3.46Å; R246-T248 WeakPolarHBondContact CG-O 3.49Å
247	E	92.2	Very high	94.7	Very high	190 Å²	190	69.9 Å²	69.9	89%	0.888	38%	0.383	S	S	*	.			trans	-91.8	-33.2	173.5	-63	-176.4	167.6	0	0	112.2	K245	K245-E247 PolarHBondContact O-N 3.1Å
248	T	90.8	Very high	94.7	Very high	61 Å²	61	63.2 Å²	63.2	37%	0.374	36%	0.355	S	S	.	.	S	Bend	trans	-94.7	120	178.9	-52.1	0	0	0	0	110.1	W212 R246	W212-T248 HydrophobicContact CH2-CG2 4.27Å; R246-T248 WeakPolarHBondContact CD-O 3.46Å; R246-T248 WeakPolarHBondContact CG-O 3.49Å
249	P	90.4	Very high	94.5	Very high	106 Å²	106	69.8 Å²	69.8	69%	0.688	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-54.6	145.6	175.9	-25.4	34.5	0	0	0	112.5
250	A	89.9	Confident	94.2	Very high	30 Å²	30	72 Å²	72	25%	0.248	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.5	136.4	171.1	0	0	0	0	0	109.7
251	P	92.7	Very high	94.1	Very high	57 Å²	57	75.4 Å²	75.4	37%	0.37	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-58.2	140.4	169.7	-22.1	33.6	0	0	0	110.5	L68 P253	L68-P251 HydrophobicContact CD2-CB 3.77Å; L68-P251 HydrophobicContact CG-CB 3.78Å; L68-P251 HydrophobicContact CG-CG 4.35Å; P251-P253 WeakPolarHBondContact O-CD 3.43Å
252	V	92.7	Very high	94.2	Very high	96 Å²	96	71.2 Å²	71.2	58%	0.582	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-82.1	117.1	179.1	-176.8	0	0	0	0	109.2	T186 T254 L332	T186-V252 PolarHBondContact OG1-O 3Å; V252-T254 HydrophobicContact CG1-CG2 3.86Å; V252-T254 PolarHBondContact O-N 3.02Å; V252-L332 HydrophobicContact CG1-CD1 4.18Å
253	P	95.7	Very high	94.1	Very high	22 Å²	22	72 Å²	72	14%	0.143	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-75.6	120.8	177.7	33.2	-36.6	0	0	0	109.3	L68 D119 L187 P251 Y331	L68-P253 HydrophobicContact CD2-CB 3.87Å; D119-P253 HydrophobicContact CB-CB 4.12Å; D119-P253 HydrophobicContact CB-CG 3.75Å; L187-P253 HydrophobicContact CD2-CB 3.69Å; P251-P253 WeakPolarHBondContact O-CD 3.43Å; P253-Y331 HydrophobicContact CB-CD1 3.48Å; P253-Y331 VanDerWaalsContact CB-CD1 3.48Å; P253-Y331 HydrophobicContact CB-CE1 3.88Å; P253-Y331 HydrophobicContact CB-CG 4.27Å; P253-Y331 HydrophobicContact CG-CD1 3.78Å; P253-Y331 HydrophobicContact CG-CE1 4.23Å
254	T	96.6	Very high	94.2	Very high	45 Å²	45	65.8 Å²	65.8	28%	0.276	37%	0.373	S	S	.	.			trans	-133.9	138.1	179.1	66	0	0	0	0	110.5	S185 T186 V252 L332	S185-T254 VanDerWaalsContact CB-O 3.29Å; S185-T254 WeakPolarHBondContact CB-O 3.5Å; T186-T254 WeakPolarHBondContact CG2-OG1 3.35Å; T186-T254 PolarHBondContact N-O 3.25Å; T186-T254 PolarHBondContact OG1-N 3.13Å; T186-T254 PolarHBondContact OG1-O 3.33Å; T186-T254 PolarHBondContact OG1-OG1 2.8Å; V252-T254 HydrophobicContact CG1-CG2 3.86Å; V252-T254 PolarHBondContact O-N 3.02Å; T254-L332 HydrophobicContact CG2-CD1 3.89Å
255	L	97.6	Very high	94.3	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-95.4	135.8	167.8	-83.4	179.3	0	0	0	110.1	W178 R181 L182 L187 L330 Y331 R333	W178-L255 HydrophobicContact CH2-CD1 4.12Å; W178-L255 HydrophobicContact CH2-CD2 4.32Å; W178-L255 HydrophobicContact CZ3-CD1 4.15Å; R181-L255 HydrophobicContact CG-CD1 3.77Å; R181-L255 HydrophobicContact CG-CD2 3.93Å; R181-L255 HydrophobicContact CG-CG 4.45Å; R181-L255 WeakPolarHBondContact O-CD2 3.37Å; L182-L255 HydrophobicContact CD2-CD2 4.42Å; L187-L255 HydrophobicContact CD1-CD2 3.94Å; L187-L255 HydrophobicContact CD1-CG 4.21Å; L255-L330 HydrophobicContact CD1-CB 3.69Å; L255-Y331 HydrophobicContact CD1-CD2 3.94Å; L255-Y331 HydrophobicContact CG-CD2 3.98Å; L255-Y331 HydrophobicContact CG-CG 4.43Å; L255-Y331 PolarHBondContact N-O 3.14Å; L255-Y331 VanDerWaalsContact N-O 3.11Å; L255-R333 HydrophobicContact CB-CG 3.72Å; L255-R333 WeakPolarHBondContact O-CD 3.25Å; L255-R333 WeakPolarHBondContact O-CG 3.49Å
256	S	96.9	Very high	94.4	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.2	155.5	175.4	-62.7	0	0	0	0	111.1	R181 G184 S185 L258	R181-S256 PolarHBondContact NH1-O 3.48Å; R181-S256 PolarHBondContact NH2-O 3.37Å; G184-S256 PolarHBondContact O-OG 2.97Å; S185-S256 WeakPolarHBondContact CA-OG 3.25Å; S185-S256 PolarHBondContact N-OG 3.2Å; S256-L258 PolarHBondContact O-N 3.46Å
257	P	96.8	Very high	94.6	Very high	88 Å²	88	58.3 Å²	58.3	57%	0.571	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-51.9	134	173.2	-25.3	34.5	0	0	0	111	R259	P257-R259 PolarHBondContact O-N 3.37Å
258	L	96.4	Very high	94.7	Very high	20 Å²	20	54.5 Å²	54.5	11%	0.105	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-67.8	129.4	171	-176.9	65.9	0	0	0	108.4	W177 Y180 S256 M278 D280 A446 I448	W177-L258 HydrophobicContact CH2-CD1 3.9Å; W177-L258 HydrophobicContact CH2-CD2 4.13Å; W177-L258 HydrophobicContact CZ3-CD1 4.12Å; Y180-L258 HydrophobicContact CD1-CD1 4.39Å; Y180-L258 HydrophobicContact CE1-CD1 3.65Å; S256-L258 PolarHBondContact O-N 3.46Å; L258-M278 HydrophobicContact CD2-CB 4.49Å; L258-M278 HydrophobicContact CD2-CE 3.49Å; L258-M278 VanDerWaalsContact CD2-CE 3.49Å; L258-M278 HydrophobicContact CD2-CG 4.04Å; L258-M278 HydrophobicContact CD2-SD 3.66Å; L258-D280 HydrophobicContact CB-CB 3.54Å; L258-D280 VanDerWaalsContact CB-CG 3.42Å; L258-D280 HydrophobicContact CD2-CB 4.15Å; L258-D280 HydrophobicContact CG-CB 4.47Å; L258-D280 PolarHBondContact N-OD2 2.92Å; L258-A446 HydrophobicContact CD2-CB 3.51Å; L258-A446 HydrophobicContact CG-CB 3.86Å; L258-I448 HydrophobicContact CD1-CD1 4.42Å; L258-I448 HydrophobicContact CD2-CD1 4.43Å
259	R	93.6	Very high	94.9	Very high	167 Å²	167	54.9 Å²	54.9	63%	0.63	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-72.5	138.4	176.9	-61.6	-174.6	-174.4	178.2	-0.9	109.6	P257 E261 A446	P257-R259 PolarHBondContact O-N 3.37Å; R259-E261 HydrophobicContact CB-CG 4.09Å; R259-E261 WeakPolarHBondContact CD-OE1 3.43Å; R259-E261 IonicContact NH1-OE1 3.96Å; R259-E261 PolarHBondContact O-N 2.96Å; R259-A446 WeakPolarHBondContact O-CB 3.33Å
260	A	93	Very high	95.1	Very high	48 Å²	48	50.3 Å²	50.3	40%	0.397	30%	0.297	S	S	.	.	S	Bend	trans	-77.1	65.8	173.6	0	0	0	0	0	110.8	D444	A260-D444 HydrophobicContact CB-CB 3.47Å; A260-D444 VanDerWaalsContact CB-CB 3.47Å
261	E	93.5	Very high	95.3	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.421	33%	0.328	S	S	.	.			trans	-126.2	148.2	179.3	-67.1	171	-166	0	0	108.6	R259 L447	R259-E261 HydrophobicContact CB-CG 4.09Å; R259-E261 WeakPolarHBondContact CD-OE1 3.43Å; R259-E261 IonicContact NH1-OE1 3.96Å; R259-E261 PolarHBondContact O-N 2.96Å; E261-L447 PolarHBondContact O-N 2.89Å
262	A	96.2	Very high	95.4	Very high	24 Å²	24	61.3 Å²	61.3	20%	0.198	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.8	166.9	0	0	0	0	0	110.8	L447 M460 Q464	A262-L447 CarbonylContact C-O 3.16Å; A262-L447 VanDerWaalsContact CA-O 3.3Å; A262-L447 WeakPolarHBondContact CA-O 3.42Å; A262-L447 HydrophobicContact CB-CB 4.1Å; A262-M460 HydrophobicContact CB-CB 4.09Å; A262-M460 HydrophobicContact CB-CE 3.78Å; A262-Q464 HydrophobicContact CB-CB 3.85Å; A262-Q464 HydrophobicContact CB-CG 4.38Å; A262-Q464 VanDerWaalsContact N-OE1 3.15Å
263	V	96.6	Very high	95.6	Very high	22 Å²	22	56.8 Å²	56.8	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.7	175.5	-60.4	0	0	0	0	111	Y180 L447 I448 L449	Y180-V263 HydrophobicContact CE1-CG2 4.19Å; Y180-V263 HydrophobicContact CE2-CB 4.32Å; Y180-V263 HydrophobicContact CE2-CG1 3.84Å; Y180-V263 HydrophobicContact CE2-CG2 4.22Å; V263-L447 PolarHBondContact N-O 3.43Å; V263-I448 HydrophobicContact CG2-CD1 3.37Å; V263-I448 HydrophobicContact CG2-CG1 4.49Å; V263-I448 HydrophobicContact CG2-CG2 4.27Å; V263-L449 PolarHBondContact O-N 3.42Å
264	S	96.6	Very high	95.7	Very high	40 Å²	40	59.5 Å²	59.5	28%	0.28	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.2	170	177.7	0	0	0	0	109.9	L449 Q451	S264-L449 CarbonylContact C-O 3.45Å; S264-L449 WeakPolarHBondContact CA-O 3.12Å; S264-Q451 PolarHBondContact OG-OE1 3.1Å
265	I	96.7	Very high	95.8	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	112.5	180	-56.5	-177.2	0	0	0	108.2	W177 Y180 I448 L449 L450 Q451	W177-I265 HydrophobicContact CB-CD1 4.01Å; W177-I265 HydrophobicContact CE3-CD1 3.94Å; Y180-I265 HydrophobicContact CG-CD1 4.09Å; I265-I448 HydrophobicContact CD1-CG2 4.32Å; I265-L449 PolarHBondContact N-O 3.27Å; I265-L450 HydrophobicContact CB-CD2 3.93Å; I265-L450 HydrophobicContact CD1-CD2 4.49Å; I265-L450 HydrophobicContact CG2-CD2 4.3Å; I265-L450 WeakPolarHBondContact O-CA 3.4Å; I265-Q451 PolarHBondContact O-N 3.1Å
266	M	95.8	Very high	95.8	Very high	53 Å²	53	57.7 Å²	57.7	26%	0.261	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.7	173.2	-54.9	-60.4	-73.9	0	0	109.9	Q451 P452 K453 E455 E457	M266-Q451 CarbonylContact C-O 3.55Å; M266-Q451 WeakPolarHBondContact CA-O 3.34Å; M266-Q451 HydrophobicContact CE-CB 4.28Å; M266-Q451 HydrophobicContact SD-CB 3.57Å; M266-Q451 VanDerWaalsContact SD-CB 3.57Å; M266-Q451 HydrophobicContact SD-CG 4.3Å; M266-P452 WeakPolarHBondContact CE-O 3.24Å; M266-K453 HydrophobicContact CB-CG 4.34Å; M266-E455 WeakPolarHBondContact CE-O 3.43Å; M266-E457 HydrophobicContact SD-CG 4.34Å
267	T	96.2	Very high	95.9	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155.4	-174	-170.6	0	0	0	0	112.1	E175 A269 V270 L450 Q451 P452 K453	E175-T267 PolarHBondContact OE1-OG1 2.67Å; E175-T267 VanDerWaalsContact OE1-OG1 3.1Å; T267-A269 VanDerWaalsContact C-N 3.31Å; T267-A269 HydrophobicContact CG2-CB 4.12Å; T267-A269 WeakPolarHBondContact OG1-CB 3.17Å; T267-A269 PolarHBondContact OG1-N 2.93Å; T267-V270 HydrophobicContact CG2-CG2 3.9Å; T267-L450 HydrophobicContact CG2-CB 3.91Å; T267-L450 HydrophobicContact CG2-CD1 4.47Å; T267-L450 HydrophobicContact CG2-CD2 4.48Å; T267-Q451 PolarHBondContact N-O 2.81Å; T267-P452 WeakPolarHBondContact O-CA 3.31Å; T267-K453 PolarHBondContact O-N 3.24Å
268	D	94.5	Very high	95.9	Very high	110 Å²	110	52.5 Å²	52.5	59%	0.588	26%	0.262	S	S	*	.	S	Bend	trans	-87.9	-5.8	172.5	-63.3	-51.8	0	0	0	111.9	V270 K453	D268-V270 PolarHBondContact O-N 3.08Å; D268-K453 WeakPolarHBondContact OD1-CD 3.11Å; D268-K453 WeakPolarHBondContact OD2-CD 3.35Å; D268-K453 VanDerWaalsContact OD2-CE 3.31Å; D268-K453 WeakPolarHBondContact OD2-CE 3.43Å; D268-K453 IonicContact OD2-NZ 3.5Å; D268-K453 PolarHBondContact OD2-NZ 3.06Å
269	A	93.8	Very high	95.9	Very high	69 Å²	69	51.8 Å²	51.8	57%	0.57	26%	0.259	S	S	*	.	S	Bend	trans	-73.5	-11.4	-176	0	0	0	0	0	113.9	T267	T267-A269 VanDerWaalsContact C-N 3.31Å; T267-A269 HydrophobicContact CG2-CB 4.12Å; T267-A269 WeakPolarHBondContact OG1-CB 3.17Å; T267-A269 PolarHBondContact OG1-N 2.93Å
270	V	95.5	Very high	96.1	Very high	10 Å²	10	45 Å²	45	6%	0.061	24%	0.235	C	C	.	.			trans	-128.9	146.9	180	-58.6	0	0	0	0	110.9	T267 D268 Q272 R274 L450 P452	T267-V270 HydrophobicContact CG2-CG2 3.9Å; D268-V270 PolarHBondContact O-N 3.08Å; V270-Q272 WeakPolarHBondContact CB-O 3.37Å; V270-Q272 WeakPolarHBondContact CG2-O 3.45Å; V270-R274 HydrophobicContact CG1-CB 4.21Å; V270-L450 HydrophobicContact CG1-CB 4.01Å; V270-L450 HydrophobicContact CG1-CD1 4.13Å; V270-L450 HydrophobicContact CG2-CB 4.07Å; V270-P452 HydrophobicContact CG2-CG 4.23Å
271	R	93.3	Very high	96.2	Very high	239 Å²	239	45.3 Å²	45.3	90%	0.902	23%	0.232	S	C	*	.	S	Bend	trans	-97.7	-14.5	177.8	-64.7	-63.3	-172.1	-175.1	-1.5	113.5
272	Q	94.6	Very high	96.3	Very high	78 Å²	78	45 Å²	45	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	-146.6	165.5	175.9	62.5	-173.7	-21.5	0	0	107.5	V270 R274 E341	V270-Q272 WeakPolarHBondContact CB-O 3.37Å; V270-Q272 WeakPolarHBondContact CG2-O 3.45Å; Q272-R274 PolarHBondContact O-N 3.26Å; Q272-E341 HydrophobicContact CG-CB 4.36Å; Q272-E341 PolarHBondContact NE2-OE2 2.96Å; Q272-E341 VanDerWaalsContact NE2-OE2 3.11Å
273	D	97.6	Very high	96.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	131.8	178.9	-75	-18.4	0	0	0	111	E341 S342 N344 L449 L450 Q451 P452	D273-E341 WeakPolarHBondContact O-CA 3.43Å; D273-S342 WeakPolarHBondContact CB-O 3.07Å; D273-S342 PolarHBondContact N-O 2.86Å; D273-S342 PolarHBondContact O-N 2.91Å; D273-N344 VanDerWaalsContact OD2-CA 3.32Å; D273-N344 WeakPolarHBondContact OD2-CA 3.42Å; D273-N344 WeakPolarHBondContact OD2-CB 3.27Å; D273-N344 PolarHBondContact OD2-ND2 3.33Å; D273-L449 HydrophobicContact CB-CD1 3.98Å; D273-L450 WeakPolarHBondContact CA-O 3.31Å; D273-Q451 WeakPolarHBondContact OD1-CA 3.39Å; D273-Q451 WeakPolarHBondContact OD1-CB 3.42Å; D273-Q451 VanDerWaalsContact OD1-CG 3.27Å; D273-Q451 WeakPolarHBondContact OD1-CG 3.31Å; D273-P452 WeakPolarHBondContact OD1-CD 3.47Å
274	R	98.3	Very high	96.3	Very high	80 Å²	80	50.3 Å²	50.3	30%	0.302	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.9	171.5	-177.8	-175.8	-70.9	160	-1.9	109.3	V270 Q272 N339 I340 E341 L450	V270-R274 HydrophobicContact CG1-CB 4.21Å; Q272-R274 PolarHBondContact O-N 3.26Å; R274-N339 HydrophobicContact CG-CB 4.27Å; R274-I340 CarbonylContact C-O 3.33Å; R274-I340 WeakPolarHBondContact CA-O 3.38Å; R274-E341 HydrophobicContact CG-CG 4.35Å; R274-E341 IonicContact CZ-OE1 3.1Å; R274-E341 IonicContact NE-OE1 2.86Å; R274-E341 PolarHBondContact NE-OE1 3.17Å; R274-E341 IonicContact NH2-OE1 3.71Å; R274-E341 PolarHBondContact NH2-OE1 3.32Å; R274-L450 HydrophobicContact CB-CB 4.44Å; R274-L450 PolarHBondContact N-O 3.22Å; R274-L450 PolarHBondContact O-N 2.97Å
275	L	98.4	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	173.1	177.5	66.6	0	0	0	110.4	N339 I340 L347 L351 L447 I448 L449 L463	L275-N339 CarbonylContact O-C 3.59Å; L275-N339 WeakPolarHBondContact O-CA 3.4Å; L275-I340 HydrophobicContact CB-CB 4.39Å; L275-I340 HydrophobicContact CD2-CD1 4.44Å; L275-I340 PolarHBondContact N-O 3.09Å; L275-I340 PolarHBondContact O-N 2.82Å; L275-L347 HydrophobicContact CB-CD1 3.9Å; L275-L347 HydrophobicContact CD2-CD1 4.17Å; L275-L351 HydrophobicContact CD2-CB 4.19Å; L275-L351 HydrophobicContact CD2-CD1 3.74Å; L275-L351 HydrophobicContact CD2-CD2 4.07Å; L275-L351 HydrophobicContact CD2-CG 4.22Å; L275-L447 HydrophobicContact CD1-CB 4.18Å; L275-I448 CarbonylContact C-O 3.54Å; L275-I448 WeakPolarHBondContact CA-O 3.48Å; L275-L449 HydrophobicContact CB-CD1 4.04Å; L275-L449 HydrophobicContact CD1-CB 4.2Å; L275-L463 HydrophobicContact CD1-CD1 4.46Å; L275-L463 HydrophobicContact CD1-CD2 4.25Å; L275-L463 HydrophobicContact CD2-CD1 4.21Å; L275-L463 HydrophobicContact CD2-CD2 4.2Å
276	S	98.4	Very high	96.2	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.5	174.6	-58.4	0	0	0	0	110.1	I338 N339 I448	S276-I338 WeakPolarHBondContact CA-O 3.39Å; S276-N339 WeakPolarHBondContact CB-OD1 3.11Å; S276-N339 PolarHBondContact OG-OD1 3.41Å; S276-I448 PolarHBondContact N-O 3.04Å; S276-I448 PolarHBondContact O-N 2.81Å
277	I	98	Very high	96.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.6	165.6	-59.7	161	0	0	0	106.3	A337 I338 I340 L351 V354 L358 M445 L447 W467	I277-A337 VanDerWaalsContact O-CA 3.22Å; I277-A337 WeakPolarHBondContact O-CA 3.25Å; I277-I338 PolarHBondContact N-O 3.38Å; I277-I338 PolarHBondContact O-N 3.01Å; I277-I340 HydrophobicContact CD1-CD1 4.01Å; I277-L351 HydrophobicContact CD1-CD1 4.24Å; I277-V354 HydrophobicContact CD1-CG1 3.81Å; I277-L358 HydrophobicContact CD1-CD1 4.28Å; I277-M445 HydrophobicContact CG2-CB 4.2Å; I277-M445 HydrophobicContact CG2-CG 4.3Å; I277-M445 HydrophobicContact CG2-SD 3.66Å; I277-L447 HydrophobicContact CB-CD2 4.36Å; I277-L447 HydrophobicContact CG1-CD2 3.85Å; I277-L447 HydrophobicContact CG2-CD2 4.41Å; I277-W467 HydrophobicContact CB-CH2 4.43Å; I277-W467 HydrophobicContact CD1-CH2 3.98Å; I277-W467 HydrophobicContact CD1-CZ3 3.58Å; I277-W467 HydrophobicContact CG1-CH2 4.15Å; I277-W467 HydrophobicContact CG1-CZ3 3.94Å; I277-W467 HydrophobicContact CG2-CH2 3.41Å; I277-W467 VanDerWaalsContact CG2-CH2 3.41Å; I277-W467 HydrophobicContact CG2-CZ2 3.92Å; I277-W467 HydrophobicContact CG2-CZ3 4.1Å
278	M	97.8	Very high	96.3	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.054	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	-164.5	179.9	169.4	15	0	0	113.4	W177 L258 Q335 C336 A337 M445 A446 I448	W177-M278 HydrophobicContact CH2-CE 3.41Å; W177-M278 VanDerWaalsContact CH2-CE 3.41Å; W177-M278 HydrophobicContact CH2-SD 4.18Å; W177-M278 HydrophobicContact CZ2-CE 3.79Å; W177-M278 HydrophobicContact CZ2-SD 4.2Å; W177-M278 HydrophobicContact CZ3-CE 4.13Å; L258-M278 HydrophobicContact CD2-CB 4.49Å; L258-M278 HydrophobicContact CD2-CE 3.49Å; L258-M278 VanDerWaalsContact CD2-CE 3.49Å; L258-M278 HydrophobicContact CD2-CG 4.04Å; L258-M278 HydrophobicContact CD2-SD 3.66Å; M278-Q335 HydrophobicContact SD-CB 4.01Å; M278-Q335 HydrophobicContact SD-CG 4.29Å; M278-C336 CarbonylContact C-O 3.2Å; M278-C336 WeakPolarHBondContact CA-O 3.39Å; M278-A337 HydrophobicContact CB-CB 4.08Å; M278-A337 HydrophobicContact CG-CB 4.37Å; M278-M445 WeakPolarHBondContact O-CA 3.44Å; M278-A446 PolarHBondContact N-O 3.28Å; M278-A446 PolarHBondContact O-N 3.33Å; M278-I448 HydrophobicContact CE-CB 4.18Å; M278-I448 HydrophobicContact CE-CD1 4.26Å; M278-I448 HydrophobicContact CE-CG1 3.23Å
279	W	96.6	Very high	96.3	Very high	6 Å²	6	54.7 Å²	54.7	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.3	163	-60.7	-83.5	0	0	0	109.7	R302 L305 F325 Q335 C336 I338 Q440 M445	W279-R302 HydrophobicContact CD2-CG 4.45Å; W279-R302 HydrophobicContact CE3-CG 4.25Å; W279-R302 HydrophobicContact CZ3-CG 4.41Å; W279-L305 HydrophobicContact CH2-CD1 3.81Å; W279-L305 HydrophobicContact CZ2-CD1 3.61Å; W279-F325 HydrophobicContact CZ3-CE2 4.48Å; W279-Q335 VanDerWaalsContact O-CA 3.29Å; W279-Q335 WeakPolarHBondContact O-CA 3.5Å; W279-C336 HydrophobicContact CE3-CB 4.28Å; W279-C336 PolarHBondContact N-O 3.02Å; W279-C336 PolarHBondContact O-N 3.32Å; W279-I338 HydrophobicContact CH2-CD1 3.97Å; W279-I338 HydrophobicContact CH2-CG1 4.22Å; W279-I338 HydrophobicContact CZ3-CD1 4.39Å; W279-I338 HydrophobicContact CZ3-CG1 4.14Å; W279-Q440 PolarHBondContact NE1-O 2.95Å; W279-M445 HydrophobicContact CD2-CG 4.36Å; W279-M445 VanDerWaalsContact CE2-SD 3.58Å; W279-M445 HydrophobicContact CG-CG 4.23Å; W279-M445 HydrophobicContact CZ2-CG 4.49Å; W279-M445 HydrophobicContact CZ2-SD 3.62Å; W279-M445 PolarHBondContact NE1-SD 3.09Å
280	D	96.8	Very high	96.4	Very high	24 Å²	24	52.9 Å²	52.9	13%	0.128	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.2	174.4	-179.7	92.8	0	0	0	109.3	R181 L258 R333 A334 Q335	R181-D280 IonicContact CZ-OD1 3.14Å; R181-D280 IonicContact NH2-OD1 2.64Å; R181-D280 PolarHBondContact NH2-OD1 3.29Å; R181-D280 IonicContact NH2-OD2 3.82Å; L258-D280 HydrophobicContact CB-CB 3.54Å; L258-D280 VanDerWaalsContact CB-CG 3.42Å; L258-D280 HydrophobicContact CD2-CB 4.15Å; L258-D280 HydrophobicContact CG-CB 4.47Å; L258-D280 PolarHBondContact N-OD2 2.92Å; D280-R333 PolarHBondContact O-NH2 3.48Å; D280-R333 IonicContact OD1-NE 2.9Å; D280-R333 IonicContact OD2-CZ 3.33Å; D280-R333 IonicContact OD2-NE 3.72Å; D280-R333 PolarHBondContact OD2-NE 3.34Å; D280-R333 IonicContact OD2-NH2 2.8Å; D280-R333 PolarHBondContact OD2-NH2 2.93Å; D280-A334 WeakPolarHBondContact CA-O 3.47Å; D280-Q335 VanDerWaalsContact OD1-CG 3.27Å; D280-Q335 WeakPolarHBondContact OD1-CG 3.44Å; D280-Q335 PolarHBondContact OD1-NE2 2.93Å
281	T	95.5	Very high	96.4	Very high	54 Å²	54	53.3 Å²	53.3	33%	0.331	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155.6	-177.1	57.6	0	0	0	0	111.2	W283 R333 A334	T281-W283 PolarHBondContact O-N 2.99Å; T281-R333 VanDerWaalsContact C-CZ 3.42Å; T281-R333 WeakPolarHBondContact O-CA 3.42Å; T281-A334 PolarHBondContact N-O 3.36Å; T281-A334 PolarHBondContact O-N 3.12Å
282	P	96	Very high	96.6	Very high	83 Å²	83	42.5 Å²	42.5	54%	0.539	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	129.2	170.7	-14.9	25.7	0	0	0	110.2
283	W	96.6	Very high	96.6	Very high	25 Å²	25	41.5 Å²	41.5	10%	0.095	21%	0.213	C	C	.	.			trans	-83	139.5	172.3	178.3	-108.2	0	0	0	110.4	T281 I286 Y295 V329 L332 A334 N407 V409	T281-W283 PolarHBondContact O-N 2.99Å; W283-I286 HydrophobicContact CH2-CD1 3.64Å; W283-I286 HydrophobicContact CH2-CG1 4.33Å; W283-I286 HydrophobicContact CZ2-CD1 4.06Å; W283-I286 HydrophobicContact CZ2-CG1 4.33Å; W283-I286 HydrophobicContact CZ3-CD1 4.43Å; W283-Y295 HydrophobicContact CH2-CD2 4.09Å; W283-Y295 HydrophobicContact CH2-CE2 4.04Å; W283-Y295 AromaticContact CZ3-CD2 3.77Å; W283-Y295 HydrophobicContact CZ3-CD2 3.77Å; W283-Y295 AromaticContact CZ3-CE2 3.79Å; W283-Y295 HydrophobicContact CZ3-CE2 3.79Å; W283-V329 HydrophobicContact CB-CG1 4.03Å; W283-V329 HydrophobicContact CD2-CB 4.47Å; W283-V329 HydrophobicContact CD2-CG1 3.92Å; W283-V329 HydrophobicContact CD2-CG2 3.66Å; W283-V329 HydrophobicContact CE3-CG2 3.72Å; W283-V329 HydrophobicContact CG-CG1 3.57Å; W283-V329 HydrophobicContact CG-CG2 4.19Å; W283-V329 HydrophobicContact CH2-CG2 4.12Å; W283-V329 HydrophobicContact CZ2-CG2 4.12Å; W283-V329 HydrophobicContact CZ3-CG2 3.93Å; W283-L332 PolarHBondContact N-O 3.35Å; W283-A334 HydrophobicContact CB-CB 4.33Å; W283-A334 HydrophobicContact CE3-CB 3.8Å; W283-N407 HydrophobicContact CZ2-CB 4.11Å; W283-N407 PolarHBondContact NE1-O 3.32Å; W283-V409 HydrophobicContact CH2-CG2 4.27Å; W283-V409 HydrophobicContact CZ2-CG2 3.54Å
284	Q	94.9	Very high	96.5	Very high	133 Å²	133	48.2 Å²	48.2	62%	0.621	24%	0.238	S	C	*	.			trans	-121.7	137.2	176	-65.1	-62.7	-34.2	0	0	109.4
285	P	95.7	Very high	96.3	Very high	41 Å²	41	48.2 Å²	48.2	27%	0.266	24%	0.238	S	C	.	.			trans	-52.2	140.6	171.9	-28	36.6	0	0	0	112	Q408	P285-Q408 WeakPolarHBondContact CA-O 3.34Å; P285-Q408 HydrophobicContact CB-CB 3.81Å; P285-Q408 WeakPolarHBondContact CB-O 3.42Å; P285-Q408 HydrophobicContact CG-CB 3.96Å; P285-Q408 VanDerWaalsContact CG-OE1 3.31Å
286	I	97.2	Very high	96.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-108	105.4	179.4	-59.3	176.1	0	0	0	108.1	L27 W283 A291 L292 Y295 Q408 V409 V410	L27-I286 HydrophobicContact CD1-CG2 3.91Å; W283-I286 HydrophobicContact CH2-CD1 3.64Å; W283-I286 HydrophobicContact CH2-CG1 4.33Å; W283-I286 HydrophobicContact CZ2-CD1 4.06Å; W283-I286 HydrophobicContact CZ2-CG1 4.33Å; W283-I286 HydrophobicContact CZ3-CD1 4.43Å; I286-A291 HydrophobicContact CG2-CB 4.26Å; I286-L292 HydrophobicContact CG2-CB 3.8Å; I286-L292 HydrophobicContact CG2-CD1 4.18Å; I286-Y295 HydrophobicContact CD1-CD1 3.99Å; I286-Y295 HydrophobicContact CD1-CD2 4.34Å; I286-Y295 HydrophobicContact CD1-CG 3.75Å; I286-Q408 PolarHBondContact N-O 3.19Å; I286-V409 HydrophobicContact CB-CG1 4.16Å; I286-V409 HydrophobicContact CB-CG2 4.19Å; I286-V409 HydrophobicContact CD1-CG2 4.24Å; I286-V409 HydrophobicContact CG1-CG2 4.35Å; I286-V410 PolarHBondContact O-N 3.5Å
287	R	96.2	Very high	96.1	Very high	156 Å²	156	52.2 Å²	52.2	59%	0.589	25%	0.251	S	S	*	.			trans	-118.9	-15.6	-177.9	-60.2	-176.2	179.5	-176.5	0.4	113.9	L27 V410	L27-R287 WeakPolarHBondContact CB-O 3.25Å; L27-R287 PolarHBondContact N-O 3.44Å; R287-V410 HydrophobicContact CB-CG2 4.34Å; R287-V410 HydrophobicContact CG-CG2 4.31Å
288	E	96.7	Very high	95.9	Very high	96 Å²	96	53.3 Å²	53.3	45%	0.449	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-129.9	150.1	-173.4	-66.5	169.9	-166.5	0	0	110.2	A24 A290 A291 L292	A24-E288 HydrophobicContact CB-CB 4.14Å; E288-A290 VanDerWaalsContact C-N 3.28Å; E288-A290 PolarHBondContact O-N 3.2Å; E288-A291 WeakPolarHBondContact O-CB 3.39Å; E288-A291 PolarHBondContact O-N 3.29Å; E288-L292 PolarHBondContact O-N 3.41Å; E288-L292 VanDerWaalsContact O-N 3.1Å
289	S	95.4	Very high	95.8	Very high	22 Å²	22	53.8 Å²	53.8	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-53.7	-42.2	179.5	54.3	0	0	0	0	112.7	D25 A291 L292 L293	D25-S289 PolarHBondContact N-OG 3.23Å; D25-S289 PolarHBondContact O-N 2.9Å; D25-S289 PolarHBondContact O-OG 2.82Å; D25-S289 VanDerWaalsContact O-OG 3.12Å; S289-A291 VanDerWaalsContact C-N 3.33Å; S289-A291 PolarHBondContact O-N 2.93Å; S289-L292 WeakPolarHBondContact O-CB 3.38Å; S289-L292 PolarHBondContact O-N 2.83Å; S289-L293 VanDerWaalsContact O-CG 3.31Å; S289-L293 WeakPolarHBondContact O-CG 3.36Å; S289-L293 PolarHBondContact O-N 3.44Å
290	A	95.3	Very high	95.8	Very high	32 Å²	32	53.6 Å²	53.6	26%	0.264	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-36.8	178.3	0	0	0	0	0	113.1	A24 E288 R294	A24-A290 HydrophobicContact CB-CB 3.49Å; A24-A290 VanDerWaalsContact CB-CB 3.49Å; E288-A290 VanDerWaalsContact C-N 3.28Å; E288-A290 PolarHBondContact O-N 3.2Å; A290-R294 WeakPolarHBondContact O-CG 3.15Å; A290-R294 PolarHBondContact O-N 3.41Å; A290-R294 VanDerWaalsContact O-N 3.09Å
291	A	96	Very high	95.8	Very high	18 Å²	18	52.4 Å²	52.4	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-40.5	175	0	0	0	0	0	111.3	I286 E288 S289 R294 Y295	I286-A291 HydrophobicContact CG2-CB 4.26Å; E288-A291 WeakPolarHBondContact O-CB 3.39Å; E288-A291 PolarHBondContact O-N 3.29Å; S289-A291 VanDerWaalsContact C-N 3.33Å; S289-A291 PolarHBondContact O-N 2.93Å; A291-R294 PolarHBondContact O-N 2.97Å; A291-Y295 PolarHBondContact O-N 3.11Å
292	L	96.6	Very high	95.9	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-45.1	176.1	-177.7	63	0	0	0	111.9	L27 I286 E288 S289 R294 Y295 W296 I412 L420	L27-L292 HydrophobicContact CD1-CB 4.31Å; L27-L292 HydrophobicContact CD1-CD2 4.23Å; L27-L292 HydrophobicContact CD2-CD2 3.97Å; I286-L292 HydrophobicContact CG2-CB 3.8Å; I286-L292 HydrophobicContact CG2-CD1 4.18Å; E288-L292 PolarHBondContact O-N 3.41Å; E288-L292 VanDerWaalsContact O-N 3.1Å; S289-L292 WeakPolarHBondContact O-CB 3.38Å; S289-L292 PolarHBondContact O-N 2.83Å; L292-R294 PolarHBondContact O-N 3.35Å; L292-Y295 HydrophobicContact CD1-CD1 4.43Å; L292-Y295 WeakPolarHBondContact O-CB 3.37Å; L292-Y295 PolarHBondContact O-N 3.46Å; L292-W296 HydrophobicContact CD1-CD2 4.39Å; L292-W296 HydrophobicContact CD1-CZ2 3.94Å; L292-W296 HydrophobicContact CD2-CH2 3.83Å; L292-W296 HydrophobicContact CD2-CZ2 3.72Å; L292-W296 HydrophobicContact CD2-CZ3 4.42Å; L292-W296 HydrophobicContact CG-CD2 4.15Å; L292-W296 HydrophobicContact CG-CE3 4.48Å; L292-W296 HydrophobicContact CG-CH2 4.17Å; L292-W296 HydrophobicContact CG-CZ2 3.82Å; L292-W296 HydrophobicContact CG-CZ3 4.47Å; L292-W296 WeakPolarHBondContact O-CB 3.5Å; L292-W296 PolarHBondContact O-N 2.99Å; L292-I412 HydrophobicContact CD2-CD1 4.01Å; L292-L420 HydrophobicContact CD2-CD1 4.01Å
293	L	95.3	Very high	95.8	Very high	57 Å²	57	49 Å²	49	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-63.3	-41.1	177.2	-67.4	174.8	0	0	0	112	S289 W296 R297 F424	S289-L293 VanDerWaalsContact O-CG 3.31Å; S289-L293 WeakPolarHBondContact O-CG 3.36Å; S289-L293 PolarHBondContact O-N 3.44Å; L293-W296 HydrophobicContact CD2-CE3 3.95Å; L293-W296 HydrophobicContact CD2-CZ3 4.13Å; L293-W296 PolarHBondContact O-N 2.98Å; L293-R297 WeakPolarHBondContact O-CG 3.24Å; L293-R297 PolarHBondContact O-N 2.93Å; L293-F424 HydrophobicContact CD2-CB 3.8Å; L293-F424 HydrophobicContact CD2-CD2 4.01Å; L293-F424 HydrophobicContact CD2-CG 4.22Å
294	R	94.1	Very high	95.9	Very high	142 Å²	142	47.8 Å²	47.8	54%	0.536	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-44.5	173.6	-76	-167	-56.9	-90.2	4.7	112	A290 A291 L292 R297 A298	A290-R294 WeakPolarHBondContact O-CG 3.15Å; A290-R294 PolarHBondContact O-N 3.41Å; A290-R294 VanDerWaalsContact O-N 3.09Å; A291-R294 PolarHBondContact O-N 2.97Å; L292-R294 PolarHBondContact O-N 3.35Å; R294-R297 PolarHBondContact O-N 3.5Å; R294-A298 PolarHBondContact O-N 2.97Å; R294-A298 VanDerWaalsContact O-N 3.16Å
295	Y	95	Very high	96.1	Very high	79 Å²	79	41.4 Å²	41.4	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-49.2	175.9	166.2	-107.2	0	0	0	111	W283 I286 A291 L292 R297 A298 D299	W283-Y295 HydrophobicContact CH2-CD2 4.09Å; W283-Y295 HydrophobicContact CH2-CE2 4.04Å; W283-Y295 AromaticContact CZ3-CD2 3.77Å; W283-Y295 HydrophobicContact CZ3-CD2 3.77Å; W283-Y295 AromaticContact CZ3-CE2 3.79Å; W283-Y295 HydrophobicContact CZ3-CE2 3.79Å; I286-Y295 HydrophobicContact CD1-CD1 3.99Å; I286-Y295 HydrophobicContact CD1-CD2 4.34Å; I286-Y295 HydrophobicContact CD1-CG 3.75Å; A291-Y295 PolarHBondContact O-N 3.11Å; L292-Y295 HydrophobicContact CD1-CD1 4.43Å; L292-Y295 WeakPolarHBondContact O-CB 3.37Å; L292-Y295 PolarHBondContact O-N 3.46Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.32Å; Y295-A298 PolarHBondContact O-N 2.69Å; Y295-D299 VanDerWaalsContact O-CB 3.28Å; Y295-D299 WeakPolarHBondContact O-CB 3.36Å; Y295-D299 PolarHBondContact O-N 2.9Å
296	W	96.5	Very high	96.1	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.045	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-35.3	178.2	-78.1	-8.4	0	0	0	114.5	L292 L293 L300 Y417 L420 R421 F424	L292-W296 HydrophobicContact CD1-CD2 4.39Å; L292-W296 HydrophobicContact CD1-CZ2 3.94Å; L292-W296 HydrophobicContact CD2-CH2 3.83Å; L292-W296 HydrophobicContact CD2-CZ2 3.72Å; L292-W296 HydrophobicContact CD2-CZ3 4.42Å; L292-W296 HydrophobicContact CG-CD2 4.15Å; L292-W296 HydrophobicContact CG-CE3 4.48Å; L292-W296 HydrophobicContact CG-CH2 4.17Å; L292-W296 HydrophobicContact CG-CZ2 3.82Å; L292-W296 HydrophobicContact CG-CZ3 4.47Å; L292-W296 WeakPolarHBondContact O-CB 3.5Å; L292-W296 PolarHBondContact O-N 2.99Å; L293-W296 HydrophobicContact CD2-CE3 3.95Å; L293-W296 HydrophobicContact CD2-CZ3 4.13Å; L293-W296 PolarHBondContact O-N 2.98Å; W296-L300 WeakPolarHBondContact O-CB 3.41Å; W296-L300 PolarHBondContact O-N 3.46Å; W296-Y417 HydrophobicContact CH2-CD2 4.29Å; W296-Y417 HydrophobicContact CH2-CE2 4.28Å; W296-Y417 AromaticContact CZ2-CD2 3.73Å; W296-Y417 HydrophobicContact CZ2-CD2 3.73Å; W296-Y417 AromaticContact CZ2-CE2 3.47Å; W296-Y417 HydrophobicContact CZ2-CE2 3.47Å; W296-Y417 VanDerWaalsContact CZ2-CE2 3.47Å; W296-L420 HydrophobicContact CH2-CB 3.83Å; W296-L420 HydrophobicContact CZ3-CB 3.91Å; W296-R421 VanDerWaalsContact CB-NH1 3.27Å; W296-R421 VanDerWaalsContact CD2-NH1 3.34Å; W296-R421 HydrophobicContact CH2-CB 3.74Å; W296-R421 HydrophobicContact CH2-CG 4.45Å; W296-R421 HydrophobicContact CZ2-CB 4.45Å; W296-R421 VanDerWaalsContact CZ3-CA 3.45Å; W296-R421 HydrophobicContact CZ3-CB 3.9Å; W296-R421 HydrophobicContact CZ3-CG 4.47Å; W296-F424 HydrophobicContact CB-CD1 4.45Å; W296-F424 HydrophobicContact CB-CE1 4.12Å; W296-F424 HydrophobicContact CB-CE2 4.31Å; W296-F424 HydrophobicContact CB-CZ 4.04Å; W296-F424 HydrophobicContact CE3-CB 3.97Å; W296-F424 HydrophobicContact CE3-CD1 4.06Å; W296-F424 AromaticContact CE3-CG 3.91Å; W296-F424 HydrophobicContact CE3-CG 3.91Å; W296-F424 HydrophobicContact CZ3-CB 4.16Å
297	R	95.9	Very high	96.1	Very high	86 Å²	86	44 Å²	44	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-52.6	172.8	-79.4	-167	-59.1	-143.4	9.5	111.7	L293 R294 Y295 D299 L300 A301 F424 D436	L293-R297 WeakPolarHBondContact O-CG 3.24Å; L293-R297 PolarHBondContact O-N 2.93Å; R294-R297 PolarHBondContact O-N 3.5Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 3.32Å; R297-D299 VanDerWaalsContact C-N 3.27Å; R297-D299 PolarHBondContact O-N 3.18Å; R297-L300 PolarHBondContact O-N 3.46Å; R297-A301 WeakPolarHBondContact O-CB 3.38Å; R297-A301 PolarHBondContact O-N 3.41Å; R297-F424 HydrophobicContact CG-CE2 3.54Å; R297-F424 HydrophobicContact CG-CZ 4.14Å; R297-D436 WeakPolarHBondContact CB-OD2 3.11Å
298	A	94.5	Very high	96.2	Very high	24 Å²	24	37.6 Å²	37.6	20%	0.198	18%	0.176	C	C	.	.	H	α-helix	trans	-62.6	-38.4	180	0	0	0	0	0	111.7	R294 Y295 R302	R294-A298 PolarHBondContact O-N 2.97Å; R294-A298 VanDerWaalsContact O-N 3.16Å; Y295-A298 PolarHBondContact O-N 2.69Å; A298-R302 VanDerWaalsContact O-CZ 3.28Å; A298-R302 PolarHBondContact O-N 2.68Å; A298-R302 PolarHBondContact O-NH1 3.31Å; A298-R302 VanDerWaalsContact O-NH1 3.1Å
299	D	94.8	Very high	96.2	Very high	21 Å²	21	33 Å²	33	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-49.6	176.9	-160.2	58.7	0	0	0	112.6	Y295 R297 A301 R302 E303	Y295-D299 VanDerWaalsContact O-CB 3.28Å; Y295-D299 WeakPolarHBondContact O-CB 3.36Å; Y295-D299 PolarHBondContact O-N 2.9Å; R297-D299 VanDerWaalsContact C-N 3.27Å; R297-D299 PolarHBondContact O-N 3.18Å; D299-A301 VanDerWaalsContact C-N 3.27Å; D299-A301 PolarHBondContact O-N 3.18Å; D299-R302 PolarHBondContact O-N 2.87Å; D299-R302 VanDerWaalsContact O-N 3.16Å; D299-R302 IonicContact OD1-NH2 2.74Å; D299-R302 PolarHBondContact OD1-NH2 2.84Å; D299-R302 VanDerWaalsContact OD1-NH2 3.1Å; D299-E303 WeakPolarHBondContact O-CG 3.07Å; D299-E303 PolarHBondContact O-N 3.36Å
300	L	96.9	Very high	96.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-34.7	176.3	-173.4	65.5	0	0	0	112.1	W296 R297 E303 A304 L374 K378 F424 L428 L433	W296-L300 WeakPolarHBondContact O-CB 3.41Å; W296-L300 PolarHBondContact O-N 3.46Å; R297-L300 PolarHBondContact O-N 3.46Å; L300-E303 PolarHBondContact O-N 3.32Å; L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.46Å; L300-A304 PolarHBondContact O-N 3.1Å; L300-L374 HydrophobicContact CD1-CD1 4.48Å; L300-L374 HydrophobicContact CD1-CD2 4.03Å; L300-L374 HydrophobicContact CD1-CG 4.26Å; L300-L374 HydrophobicContact CG-CD2 4.47Å; L300-K378 HydrophobicContact CD1-CG 4.11Å; L300-F424 HydrophobicContact CD2-CE1 3.98Å; L300-F424 HydrophobicContact CD2-CZ 4.02Å; L300-L428 HydrophobicContact CD2-CD2 3.27Å; L300-L433 HydrophobicContact CG-CD1 4.39Å
301	A	97.6	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-45.8	174.3	0	0	0	0	0	111.8	R297 D299 A304 L305 L433 D436 L437 Q440	R297-A301 WeakPolarHBondContact O-CB 3.38Å; R297-A301 PolarHBondContact O-N 3.41Å; D299-A301 VanDerWaalsContact C-N 3.27Å; D299-A301 PolarHBondContact O-N 3.18Å; A301-A304 WeakPolarHBondContact O-CB 3.31Å; A301-A304 PolarHBondContact O-N 3.15Å; A301-L305 WeakPolarHBondContact O-CG 3Å; A301-L305 PolarHBondContact O-N 2.91Å; A301-L433 HydrophobicContact CB-CD1 4.13Å; A301-D436 HydrophobicContact CB-CB 3.87Å; A301-L437 HydrophobicContact CB-CD2 4.18Å; A301-L437 HydrophobicContact CB-CG 4.41Å; A301-L437 WeakPolarHBondContact O-CD2 3.37Å; A301-Q440 HydrophobicContact CB-CG 3.9Å
302	R	96.3	Very high	96.3	Very high	19 Å²	19	38.4 Å²	38.4	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-67.4	-39.5	176.4	-67.7	-177.7	-60.6	-85.8	-1.7	112.5	W279 A298 D299 A304 L305 F306 F325 C336 Q440	W279-R302 HydrophobicContact CD2-CG 4.45Å; W279-R302 HydrophobicContact CE3-CG 4.25Å; W279-R302 HydrophobicContact CZ3-CG 4.41Å; A298-R302 VanDerWaalsContact O-CZ 3.28Å; A298-R302 PolarHBondContact O-N 2.68Å; A298-R302 PolarHBondContact O-NH1 3.31Å; A298-R302 VanDerWaalsContact O-NH1 3.1Å; D299-R302 PolarHBondContact O-N 2.87Å; D299-R302 VanDerWaalsContact O-N 3.16Å; D299-R302 IonicContact OD1-NH2 2.74Å; D299-R302 PolarHBondContact OD1-NH2 2.84Å; D299-R302 VanDerWaalsContact OD1-NH2 3.1Å; R302-A304 VanDerWaalsContact C-N 3.3Å; R302-A304 PolarHBondContact O-N 3.32Å; R302-L305 WeakPolarHBondContact O-CB 3.05Å; R302-L305 PolarHBondContact O-N 2.87Å; R302-F306 PolarHBondContact O-N 3.11Å; R302-F306 VanDerWaalsContact O-N 3.1Å; R302-F325 HydrophobicContact CB-CE2 3.93Å; R302-F325 HydrophobicContact CB-CZ 3.65Å; R302-C336 PolarHBondContact NE-SG 3.11Å; R302-Q440 HydrophobicContact CG-CG 4.14Å
303	E	95.5	Very high	96.2	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-39.1	172.8	-71.8	-173.7	170.1	0	0	111.8	D299 L300 F306 W307 F325 K378	D299-E303 WeakPolarHBondContact O-CG 3.07Å; D299-E303 PolarHBondContact O-N 3.36Å; L300-E303 PolarHBondContact O-N 3.32Å; E303-F306 PolarHBondContact O-N 3.31Å; E303-W307 VanDerWaalsContact O-CB 3.26Å; E303-W307 WeakPolarHBondContact O-CB 3.33Å; E303-W307 PolarHBondContact O-N 2.93Å; E303-F325 HydrophobicContact CG-CD1 4.5Å; E303-F325 HydrophobicContact CG-CE1 3.87Å; E303-K378 IonicContact OE1-NZ 3.38Å; E303-K378 WeakPolarHBondContact OE2-CE 3.35Å; E303-K378 IonicContact OE2-NZ 2.72Å; E303-K378 PolarHBondContact OE2-NZ 3.29Å
304	A	97.9	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-38.4	176.5	0	0	0	0	0	112.1	L300 A301 R302 W307 H308 L366 L374 L433 L437	L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.46Å; L300-A304 PolarHBondContact O-N 3.1Å; A301-A304 WeakPolarHBondContact O-CB 3.31Å; A301-A304 PolarHBondContact O-N 3.15Å; R302-A304 VanDerWaalsContact C-N 3.3Å; R302-A304 PolarHBondContact O-N 3.32Å; A304-W307 PolarHBondContact O-N 2.58Å; A304-H308 WeakPolarHBondContact O-CB 3.22Å; A304-H308 PolarHBondContact O-N 3.08Å; A304-L366 HydrophobicContact CB-CD2 4.36Å; A304-L374 HydrophobicContact CB-CD2 3.53Å; A304-L433 HydrophobicContact CB-CD2 4.11Å; A304-L437 HydrophobicContact CB-CD2 4.17Å
305	L	97.9	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-48.1	171.6	-66.6	175.1	0	0	0	111.3	W279 A301 R302 H308 V309 I338 L358 V361 L437 Q440 L441	W279-L305 HydrophobicContact CH2-CD1 3.81Å; W279-L305 HydrophobicContact CZ2-CD1 3.61Å; A301-L305 WeakPolarHBondContact O-CG 3Å; A301-L305 PolarHBondContact O-N 2.91Å; R302-L305 WeakPolarHBondContact O-CB 3.05Å; R302-L305 PolarHBondContact O-N 2.87Å; L305-H308 PolarHBondContact O-N 2.87Å; L305-V309 VanDerWaalsContact O-CG2 3.29Å; L305-V309 WeakPolarHBondContact O-CG2 3.18Å; L305-V309 PolarHBondContact O-N 3.28Å; L305-V309 VanDerWaalsContact O-N 3.09Å; L305-I338 HydrophobicContact CB-CD1 4.33Å; L305-L358 HydrophobicContact CB-CD2 3.93Å; L305-L358 HydrophobicContact CD1-CD2 4.49Å; L305-L358 HydrophobicContact CD2-CD2 4.01Å; L305-L358 HydrophobicContact CG-CD2 4.36Å; L305-V361 HydrophobicContact CD2-CB 4.15Å; L305-V361 HydrophobicContact CD2-CG1 3.74Å; L305-L437 HydrophobicContact CD1-CD2 4.45Å; L305-L437 HydrophobicContact CD2-CD2 3.52Å; L305-L437 HydrophobicContact CG-CD2 3.59Å; L305-Q440 HydrophobicContact CD1-CB 4.31Å; L305-L441 HydrophobicContact CD1-CD2 3.87Å; L305-L441 HydrophobicContact CD1-CG 4.08Å; L305-L441 HydrophobicContact CD2-CD1 3.71Å; L305-L441 HydrophobicContact CD2-CD2 4.04Å; L305-L441 HydrophobicContact CD2-CG 4.01Å
306	F	97.6	Very high	96	Very high	28 Å²	28	37.6 Å²	37.6	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-46.4	178.5	177.4	-114	0	0	0	112.2	R302 E303 H308 V309 Q310 L323 G324 F325 I338	R302-F306 PolarHBondContact O-N 3.11Å; R302-F306 VanDerWaalsContact O-N 3.1Å; E303-F306 PolarHBondContact O-N 3.31Å; F306-H308 VanDerWaalsContact C-N 3.3Å; F306-H308 PolarHBondContact O-N 2.92Å; F306-V309 PolarHBondContact O-N 3.09Å; F306-Q310 HydrophobicContact CD1-CG 4.34Å; F306-Q310 HydrophobicContact CD2-CG 4.3Å; F306-Q310 HydrophobicContact CE1-CG 4.01Å; F306-Q310 VanDerWaalsContact CE1-OE1 3.24Å; F306-Q310 HydrophobicContact CE2-CG 3.98Å; F306-Q310 HydrophobicContact CG-CG 4.5Å; F306-Q310 HydrophobicContact CZ-CG 3.84Å; F306-Q310 WeakPolarHBondContact O-CG 3.22Å; F306-Q310 PolarHBondContact O-N 3.26Å; F306-L323 HydrophobicContact CE2-CB 3.97Å; F306-G324 WeakPolarHBondContact CE2-O 3.44Å; F306-F325 HydrophobicContact CB-CB 4.13Å; F306-F325 HydrophobicContact CB-CD2 4.09Å; F306-F325 HydrophobicContact CB-CG 4.13Å; F306-F325 HydrophobicContact CD1-CB 3.59Å; F306-F325 HydrophobicContact CD1-CG 4.26Å; F306-F325 HydrophobicContact CD2-CB 3.64Å; F306-F325 HydrophobicContact CD2-CG 4.47Å; F306-F325 HydrophobicContact CE1-CB 3.73Å; F306-F325 HydrophobicContact CE2-CB 3.76Å; F306-F325 HydrophobicContact CG-CB 3.51Å; F306-F325 HydrophobicContact CG-CD2 4.37Å; F306-F325 HydrophobicContact CG-CG 4.06Å; F306-F325 HydrophobicContact CZ-CB 3.8Å; F306-I338 HydrophobicContact CB-CD1 4.46Å; F306-I338 HydrophobicContact CB-CG1 4.38Å; F306-I338 HydrophobicContact CD2-CG1 4.31Å; F306-I338 HydrophobicContact CD2-CG2 4.33Å
307	W	96.6	Very high	95.7	Very high	72 Å²	72	42.9 Å²	42.9	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-54.8	-46.7	176.3	-179.9	-85.5	0	0	0	111.2	E303 A304 Q310 Q311 L374 Q377	E303-W307 VanDerWaalsContact O-CB 3.26Å; E303-W307 WeakPolarHBondContact O-CB 3.33Å; E303-W307 PolarHBondContact O-N 2.93Å; A304-W307 PolarHBondContact O-N 2.58Å; W307-Q310 PolarHBondContact O-N 3.11Å; W307-Q311 VanDerWaalsContact NE1-CD 3.27Å; W307-Q311 WeakPolarHBondContact O-CG 3.25Å; W307-Q311 PolarHBondContact O-N 3.23Å; W307-L374 HydrophobicContact CD2-CD1 4.21Å; W307-L374 HydrophobicContact CE3-CD1 4.37Å; W307-L374 HydrophobicContact CG-CD1 4.29Å; W307-Q377 HydrophobicContact CH2-CB 4.5Å; W307-Q377 HydrophobicContact CH2-CG 4.28Å; W307-Q377 HydrophobicContact CZ3-CG 4.31Å
308	H	97.9	Very high	95.4	Very high	23 Å²	23	40.6 Å²	40.6	11%	0.106	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-49.6	177.3	-179.8	75.8	0	0	0	113.1	A304 L305 F306 Q310 Q311 A312 E357 V361 L366 E370	A304-H308 WeakPolarHBondContact O-CB 3.22Å; A304-H308 PolarHBondContact O-N 3.08Å; L305-H308 PolarHBondContact O-N 2.87Å; F306-H308 VanDerWaalsContact C-N 3.3Å; F306-H308 PolarHBondContact O-N 2.92Å; H308-Q310 VanDerWaalsContact C-N 3.29Å; H308-Q310 PolarHBondContact O-N 2.71Å; H308-Q311 PolarHBondContact O-N 2.83Å; H308-A312 WeakPolarHBondContact O-CB 3.45Å; H308-A312 PolarHBondContact O-N 2.73Å; H308-E357 IonicContact NE2-OE2 3.63Å; H308-V361 HydrophobicContact CB-CG2 4.2Å; H308-V361 WeakPolarHBondContact CD2-CG2 3.37Å; H308-L366 HydrophobicContact CB-CD1 4.09Å; H308-E370 WeakPolarHBondContact CA-OE1 3.29Å; H308-E370 VanDerWaalsContact CB-OE1 3.28Å; H308-E370 WeakPolarHBondContact CB-OE1 3.44Å; H308-E370 IonicContact CE1-OE2 3.69Å; H308-E370 IonicContact CG-OE1 3.73Å; H308-E370 IonicContact CG-OE2 2.98Å; H308-E370 IonicContact ND1-OE1 3.84Å; H308-E370 PolarHBondContact ND1-OE1 3.25Å; H308-E370 IonicContact ND1-OE2 3.91Å; H308-E370 PolarHBondContact ND1-OE2 3.38Å
309	V	97.8	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-42.5	178.2	177.7	0	0	0	0	110.4	L305 F306 Q311 A312 L313 L323 V354 E357 L358	L305-V309 VanDerWaalsContact O-CG2 3.29Å; L305-V309 WeakPolarHBondContact O-CG2 3.18Å; L305-V309 PolarHBondContact O-N 3.28Å; L305-V309 VanDerWaalsContact O-N 3.09Å; F306-V309 PolarHBondContact O-N 3.09Å; V309-Q311 PolarHBondContact O-N 2.81Å; V309-A312 PolarHBondContact O-N 2.69Å; V309-L313 HydrophobicContact CG1-CD1 4.32Å; V309-L313 HydrophobicContact CG1-CG 4.36Å; V309-L313 WeakPolarHBondContact O-CG 3.44Å; V309-L313 PolarHBondContact O-N 3.08Å; V309-L323 HydrophobicContact CG1-CD1 3.75Å; V309-V354 HydrophobicContact CG1-CB 4.3Å; V309-V354 HydrophobicContact CG1-CG1 4Å; V309-V354 HydrophobicContact CG1-CG2 3.84Å; V309-V354 HydrophobicContact CG2-CG1 4.29Å; V309-E357 HydrophobicContact CG2-CB 4.14Å; V309-L358 HydrophobicContact CG2-CD2 3.84Å; V309-L358 HydrophobicContact CG2-CG 4.2Å
310	Q	96.3	Very high	95.2	Very high	78 Å²	78	50.7 Å²	50.7	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-45.7	177	-75	-170.8	-45.7	0	0	112.5	F306 W307 H308 S314 L323	F306-Q310 HydrophobicContact CD1-CG 4.34Å; F306-Q310 HydrophobicContact CD2-CG 4.3Å; F306-Q310 HydrophobicContact CE1-CG 4.01Å; F306-Q310 VanDerWaalsContact CE1-OE1 3.24Å; F306-Q310 HydrophobicContact CE2-CG 3.98Å; F306-Q310 HydrophobicContact CG-CG 4.5Å; F306-Q310 HydrophobicContact CZ-CG 3.84Å; F306-Q310 WeakPolarHBondContact O-CG 3.22Å; F306-Q310 PolarHBondContact O-N 3.26Å; W307-Q310 PolarHBondContact O-N 3.11Å; H308-Q310 VanDerWaalsContact C-N 3.29Å; H308-Q310 PolarHBondContact O-N 2.71Å; Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 2.82Å; Q310-L323 HydrophobicContact CG-CD1 3.97Å
311	Q	95.2	Very high	95.1	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-45.5	178.2	-70.2	-164.8	107.4	0	0	111.8	W307 H308 V309 L313 S314 A315 E370	W307-Q311 VanDerWaalsContact NE1-CD 3.27Å; W307-Q311 WeakPolarHBondContact O-CG 3.25Å; W307-Q311 PolarHBondContact O-N 3.23Å; H308-Q311 PolarHBondContact O-N 2.83Å; V309-Q311 PolarHBondContact O-N 2.81Å; Q311-L313 PolarHBondContact O-N 2.89Å; Q311-S314 PolarHBondContact O-N 2.79Å; Q311-A315 WeakPolarHBondContact O-CB 3.28Å; Q311-A315 PolarHBondContact O-N 3.43Å; Q311-E370 VanDerWaalsContact NE2-CG 3.33Å; Q311-E370 PolarHBondContact NE2-OE1 2.97Å
312	A	95.8	Very high	95.1	Very high	24 Å²	24	53.4 Å²	53.4	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-44.8	-179.6	0	0	0	0	0	112.3	H308 V309 A315 S316 E357	H308-A312 WeakPolarHBondContact O-CB 3.45Å; H308-A312 PolarHBondContact O-N 2.73Å; V309-A312 PolarHBondContact O-N 2.69Å; A312-A315 PolarHBondContact O-N 2.04Å; A312-S316 PolarHBondContact O-N 2.76Å; A312-S316 PolarHBondContact O-OG 3.19Å; A312-E357 HydrophobicContact CB-CG 3.71Å
313	L	94.4	Very high	95.1	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-35.6	178.5	-66.9	-169.7	0	0	0	113.4	V309 Q311 S316 N317 S318 I321 L323 L353	V309-L313 HydrophobicContact CG1-CD1 4.32Å; V309-L313 HydrophobicContact CG1-CG 4.36Å; V309-L313 WeakPolarHBondContact O-CG 3.44Å; V309-L313 PolarHBondContact O-N 3.08Å; Q311-L313 PolarHBondContact O-N 2.89Å; L313-S316 WeakPolarHBondContact CA-OG 3.32Å; L313-S316 PolarHBondContact O-N 3.21Å; L313-S316 PolarHBondContact O-OG 2.92Å; L313-N317 PolarHBondContact O-N 3.49Å; L313-S318 PolarHBondContact O-N 3.28Å; L313-S318 VanDerWaalsContact O-N 3.11Å; L313-I321 HydrophobicContact CD1-CD1 3.69Å; L313-I321 HydrophobicContact CD1-CG1 4.31Å; L313-I321 HydrophobicContact CD1-CG2 4.06Å; L313-L323 HydrophobicContact CD1-CD1 3.48Å; L313-L323 VanDerWaalsContact CD1-CD1 3.48Å; L313-L323 HydrophobicContact CD1-CD2 4.37Å; L313-L323 HydrophobicContact CD1-CG 3.98Å; L313-L323 HydrophobicContact CG-CD1 4.41Å; L313-L353 HydrophobicContact CD2-CB 4.07Å; L313-L353 HydrophobicContact CD2-CD1 4.34Å
314	S	94.1	Very high	95.2	Very high	98 Å²	98	53.5 Å²	53.5	69%	0.685	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-45.3	173.6	-175.1	0	0	0	0	110.6	Q310 Q311 S316 N317	Q310-S314 WeakPolarHBondContact O-CB 3.39Å; Q310-S314 PolarHBondContact O-N 2.82Å; Q311-S314 PolarHBondContact O-N 2.79Å; S314-S316 PolarHBondContact O-N 2.83Å; S314-N317 PolarHBondContact O-N 3.45Å; S314-N317 VanDerWaalsContact O-N 3.14Å
315	A	93.9	Very high	95.2	Very high	91 Å²	91	55.8 Å²	55.8	75%	0.752	32%	0.32	S	S	*	.	H	α-helix	trans	-65	-34.6	177.9	0	0	0	0	0	113.3	Q311 A312 N317	Q311-A315 WeakPolarHBondContact O-CB 3.28Å; Q311-A315 PolarHBondContact O-N 3.43Å; A312-A315 PolarHBondContact O-N 2.04Å; A315-N317 VanDerWaalsContact C-N 3.27Å; A315-N317 PolarHBondContact O-N 2.96Å
316	S	92.6	Very high	95.1	Very high	72 Å²	72	58 Å²	58	50%	0.503	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.5	175.9	64.1	0	0	0	0	114.1	A312 L313 S314 S318	A312-S316 PolarHBondContact O-N 2.76Å; A312-S316 PolarHBondContact O-OG 3.19Å; L313-S316 WeakPolarHBondContact CA-OG 3.32Å; L313-S316 PolarHBondContact O-N 3.21Å; L313-S316 PolarHBondContact O-OG 2.92Å; S314-S316 PolarHBondContact O-N 2.83Å; S316-S318 PolarHBondContact O-N 3.26Å; S316-S318 PolarHBondContact OG-OG 3.36Å
317	N	90.2	Very high	95.1	Very high	124 Å²	124	59 Å²	59	66%	0.663	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.8	-175.3	-166.2	36.1	0	0	0	112.3	L313 S314 A315 K319	L313-N317 PolarHBondContact O-N 3.49Å; S314-N317 PolarHBondContact O-N 3.45Å; S314-N317 VanDerWaalsContact O-N 3.14Å; A315-N317 VanDerWaalsContact C-N 3.27Å; A315-N317 PolarHBondContact O-N 2.96Å; N317-K319 PolarHBondContact O-N 2.9Å
318	S	89.7	Confident	95	Very high	37 Å²	37	61 Å²	61	26%	0.259	35%	0.349	S	S	.	.			trans	-63.4	129.4	-179.4	-67.3	0	0	0	0	110.3	L313 S316	L313-S318 PolarHBondContact O-N 3.28Å; L313-S318 VanDerWaalsContact O-N 3.11Å; S316-S318 PolarHBondContact O-N 3.26Å; S316-S318 PolarHBondContact OG-OG 3.36Å
319	K	91.1	Very high	94.9	Very high	152 Å²	152	61.1 Å²	61.1	66%	0.661	35%	0.351	S	S	*	.			trans	-102.9	162.2	178.1	-62.2	-173.8	178.9	-177.5	0	110.5	N317 I321	N317-K319 PolarHBondContact O-N 2.9Å; K319-I321 PolarHBondContact O-N 3.26Å
320	D	93.3	Very high	94.8	Very high	105 Å²	105	61.8 Å²	61.8	56%	0.561	36%	0.355	S	S	*	.	S	Bend	trans	57.9	35.7	172.3	-48	-43.6	0	0	0	113.7	P343 N350	D320-P343 HydrophobicContact CB-CG 4.14Å; D320-P343 VanDerWaalsContact O-CD 3.27Å; D320-P343 WeakPolarHBondContact O-CD 3.47Å; D320-N350 PolarHBondContact O-ND2 3.41Å
321	I	96.1	Very high	94.8	Very high	31 Å²	31	58.7 Å²	58.7	16%	0.159	34%	0.34	C	S	.	.			trans	-138.4	120.5	174.5	-173.3	166.9	0	0	0	109.8	L313 K319 L323 I340 N350 V354	L313-I321 HydrophobicContact CD1-CD1 3.69Å; L313-I321 HydrophobicContact CD1-CG1 4.31Å; L313-I321 HydrophobicContact CD1-CG2 4.06Å; K319-I321 PolarHBondContact O-N 3.26Å; I321-L323 HydrophobicContact CD1-CD2 4.4Å; I321-L323 HydrophobicContact CG1-CD2 4.43Å; I321-I340 HydrophobicContact CD1-CG2 3.96Å; I321-I340 HydrophobicContact CG1-CG2 3.98Å; I321-N350 HydrophobicContact CD1-CB 3.7Å; I321-N350 HydrophobicContact CG1-CB 4.31Å; I321-V354 HydrophobicContact CD1-CG2 4.15Å
322	G	96.4	Very high	94.8	Very high	27 Å²	27	57.9 Å²	57.9	28%	0.278	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.9	168.6	0	0	0	0	0	110	I340 E341	G322-I340 CarbonylContact O-C 3.58Å; G322-I340 WeakPolarHBondContact O-CA 3.39Å; G322-E341 PolarHBondContact N-O 3.35Å; G322-E341 PolarHBondContact O-N 3.5Å
323	L	97.4	Very high	94.9	Very high	43 Å²	43	57.9 Å²	57.9	23%	0.225	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.4	176.5	-72.9	-175.5	0	0	0	111.2	F306 V309 Q310 L313 I321 N339 I340 V354	F306-L323 HydrophobicContact CE2-CB 3.97Å; V309-L323 HydrophobicContact CG1-CD1 3.75Å; Q310-L323 HydrophobicContact CG-CD1 3.97Å; L313-L323 HydrophobicContact CD1-CD1 3.48Å; L313-L323 VanDerWaalsContact CD1-CD1 3.48Å; L313-L323 HydrophobicContact CD1-CD2 4.37Å; L313-L323 HydrophobicContact CD1-CG 3.98Å; L313-L323 HydrophobicContact CG-CD1 4.41Å; I321-L323 HydrophobicContact CD1-CD2 4.4Å; I321-L323 HydrophobicContact CG1-CD2 4.43Å; L323-N339 WeakPolarHBondContact CA-O 3.35Å; L323-I340 HydrophobicContact CD2-CG1 4.12Å; L323-V354 HydrophobicContact CD2-CG2 4.21Å
324	G	97.3	Very high	95	Very high	23 Å²	23	58 Å²	58	24%	0.237	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157	170.5	0	0	0	0	0	111.5	F306 N339	F306-G324 WeakPolarHBondContact CE2-O 3.44Å; G324-N339 PolarHBondContact N-O 3.16Å; G324-N339 PolarHBondContact O-N 2.79Å
325	F	97.7	Very high	95.1	Very high	49 Å²	49	53.5 Å²	53.5	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.2	172.3	179.1	-104.9	0	0	0	109.1	W279 R302 E303 F306 C327 C336 A337 I338	W279-F325 HydrophobicContact CZ3-CE2 4.48Å; R302-F325 HydrophobicContact CB-CE2 3.93Å; R302-F325 HydrophobicContact CB-CZ 3.65Å; E303-F325 HydrophobicContact CG-CD1 4.5Å; E303-F325 HydrophobicContact CG-CE1 3.87Å; F306-F325 HydrophobicContact CB-CB 4.13Å; F306-F325 HydrophobicContact CB-CD2 4.09Å; F306-F325 HydrophobicContact CB-CG 4.13Å; F306-F325 HydrophobicContact CD1-CB 3.59Å; F306-F325 HydrophobicContact CD1-CG 4.26Å; F306-F325 HydrophobicContact CD2-CB 3.64Å; F306-F325 HydrophobicContact CD2-CG 4.47Å; F306-F325 HydrophobicContact CE1-CB 3.73Å; F306-F325 HydrophobicContact CE2-CB 3.76Å; F306-F325 HydrophobicContact CG-CB 3.51Å; F306-F325 HydrophobicContact CG-CD2 4.37Å; F306-F325 HydrophobicContact CG-CG 4.06Å; F306-F325 HydrophobicContact CZ-CB 3.8Å; F325-C327 VanDerWaalsContact CZ-SG 3.51Å; F325-C336 HydrophobicContact CE2-CB 4.4Å; F325-C336 HydrophobicContact CZ-CB 4.37Å; F325-A337 WeakPolarHBondContact CA-O 3.03Å; F325-A337 VanDerWaalsContact CD2-O 3.24Å; F325-A337 WeakPolarHBondContact CD2-O 3.31Å; F325-I338 HydrophobicContact CD2-CG1 4.07Å
326	D	96.4	Very high	95.2	Very high	45 Å²	45	49.6 Å²	49.6	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.1	174.1	73.5	-95.9	0	0	0	111.5	R328 C336 A337 N339	D326-R328 IonicContact OD1-NH2 3.43Å; D326-R328 IonicContact OD2-CZ 3.91Å; D326-R328 VanDerWaalsContact OD2-CZ 3.3Å; D326-R328 IonicContact OD2-NE 3.32Å; D326-R328 PolarHBondContact OD2-NE 3.1Å; D326-R328 VanDerWaalsContact OD2-NE 3.08Å; D326-R328 IonicContact OD2-NH2 3.15Å; D326-R328 PolarHBondContact OD2-NH2 2.89Å; D326-C336 CarbonylContact O-C 3.45Å; D326-C336 WeakPolarHBondContact O-CA 3.4Å; D326-A337 PolarHBondContact N-O 2.91Å; D326-A337 PolarHBondContact O-N 3.17Å; D326-N339 PolarHBondContact OD1-ND2 3.31Å
327	C	96.2	Very high	95.5	Very high	51 Å²	51	46.3 Å²	46.3	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	173.2	-75.6	0	0	0	0	109.2	F325 Q335 C336	F325-C327 VanDerWaalsContact CZ-SG 3.51Å; C327-Q335 CarbonylContact C-O 3.54Å; C327-Q335 VanDerWaalsContact CA-O 3.25Å; C327-Q335 WeakPolarHBondContact CA-O 2.91Å; C327-C336 HydrophobicContact CB-CB 4.18Å; C327-C336 WeakPolarHBondContact CB-SG 3.45Å; C327-C336 WeakPolarHBondContact SG-CB 3.48Å; C327-C336 CovalentContact SG-SG 2.04Å; C327-C336 PolarHBondContact SG-SG 3.06Å
328	R	95.1	Very high	95.9	Very high	113 Å²	113	40.4 Å²	40.4	43%	0.426	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.4	179.3	62.9	-171.4	78.6	-177.8	7.6	110.9	D326 L330 Q335	D326-R328 IonicContact OD1-NH2 3.43Å; D326-R328 IonicContact OD2-CZ 3.91Å; D326-R328 VanDerWaalsContact OD2-CZ 3.3Å; D326-R328 IonicContact OD2-NE 3.32Å; D326-R328 PolarHBondContact OD2-NE 3.1Å; D326-R328 VanDerWaalsContact OD2-NE 3.08Å; D326-R328 IonicContact OD2-NH2 3.15Å; D326-R328 PolarHBondContact OD2-NH2 2.89Å; R328-L330 HydrophobicContact CG-CD1 4.21Å; R328-L330 HydrophobicContact CG-CG 4.16Å; R328-Q335 HydrophobicContact CG-CB 3.96Å; R328-Q335 PolarHBondContact N-O 3.28Å; R328-Q335 PolarHBondContact O-N 2.87Å
329	V	96.6	Very high	96.3	Very high	25 Å²	25	39.4 Å²	39.4	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.5	169.4	176.5	0	0	0	0	107.6	W283 R333 A334 N407	W283-V329 HydrophobicContact CB-CG1 4.03Å; W283-V329 HydrophobicContact CD2-CB 4.47Å; W283-V329 HydrophobicContact CD2-CG1 3.92Å; W283-V329 HydrophobicContact CD2-CG2 3.66Å; W283-V329 HydrophobicContact CE3-CG2 3.72Å; W283-V329 HydrophobicContact CG-CG1 3.57Å; W283-V329 HydrophobicContact CG-CG2 4.19Å; W283-V329 HydrophobicContact CH2-CG2 4.12Å; W283-V329 HydrophobicContact CZ2-CG2 4.12Å; W283-V329 HydrophobicContact CZ3-CG2 3.93Å; V329-R333 CarbonylContact C-O 3.58Å; V329-R333 VanDerWaalsContact CA-O 3.28Å; V329-R333 WeakPolarHBondContact CA-O 3.28Å; V329-A334 HydrophobicContact CG2-CB 4.39Å; V329-N407 WeakPolarHBondContact CB-OD1 3.4Å; V329-N407 HydrophobicContact CG1-CB 4.45Å; V329-N407 WeakPolarHBondContact CG1-OD1 3.48Å
330	L	95.4	Very high	96.6	Very high	14 Å²	14	32.1 Å²	32.1	7%	0.073	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	114.6	179.6	-59.5	175.8	0	0	0	108	W169 W178 L255 R328 L332 R333	W169-L330 HydrophobicContact CH2-CD2 3.49Å; W169-L330 VanDerWaalsContact CH2-CD2 3.49Å; W169-L330 HydrophobicContact CZ2-CD2 3.59Å; W178-L330 HydrophobicContact CZ3-CD1 4.3Å; L255-L330 HydrophobicContact CD1-CB 3.69Å; R328-L330 HydrophobicContact CG-CD1 4.21Å; R328-L330 HydrophobicContact CG-CG 4.16Å; L330-L332 PolarHBondContact O-N 2.96Å; L330-R333 PolarHBondContact N-O 3.43Å; L330-R333 WeakPolarHBondContact O-CB 3.43Å; L330-R333 PolarHBondContact O-N 3.33Å
331	Y	96.1	Very high	96.9	Very high	14 Å²	14	30 Å²	30	6%	0.055	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	58.6	169.8	-54.6	-63	0	0	0	114	S117 Y118 W169 W178 L187 P253 L255 R333	S117-Y331 PolarHBondContact OG-OH 3.4Å; Y118-Y331 HydrophobicContact CD2-CE2 4.37Å; Y118-Y331 VanDerWaalsContact CD2-OH 3.22Å; Y118-Y331 WeakPolarHBondContact CD2-OH 3.44Å; W169-Y331 HydrophobicContact CH2-CE2 4.26Å; W169-Y331 HydrophobicContact CZ3-CE1 4.22Å; W169-Y331 AromaticContact CZ3-CE2 3.74Å; W169-Y331 HydrophobicContact CZ3-CE2 3.74Å; W169-Y331 AromaticContact CZ3-CZ 3.48Å; W169-Y331 VanDerWaalsContact CZ3-CZ 3.48Å; W169-Y331 WeakPolarHBondContact CZ3-OH 3.48Å; W178-Y331 AromaticContact CH2-CD2 3.86Å; W178-Y331 HydrophobicContact CH2-CD2 3.86Å; W178-Y331 AromaticContact CH2-CE2 3.55Å; W178-Y331 HydrophobicContact CH2-CE2 3.55Å; W178-Y331 AromaticContact CZ2-CE2 3.89Å; W178-Y331 HydrophobicContact CZ2-CE2 3.89Å; L187-Y331 HydrophobicContact CD1-CD1 4.41Å; L187-Y331 HydrophobicContact CD1-CD2 3.38Å; L187-Y331 HydrophobicContact CD1-CE2 3.52Å; L187-Y331 HydrophobicContact CD1-CG 3.83Å; P253-Y331 HydrophobicContact CB-CD1 3.48Å; P253-Y331 VanDerWaalsContact CB-CD1 3.48Å; P253-Y331 HydrophobicContact CB-CE1 3.88Å; P253-Y331 HydrophobicContact CB-CG 4.27Å; P253-Y331 HydrophobicContact CG-CD1 3.78Å; P253-Y331 HydrophobicContact CG-CE1 4.23Å; L255-Y331 HydrophobicContact CD1-CD2 3.94Å; L255-Y331 HydrophobicContact CG-CD2 3.98Å; L255-Y331 HydrophobicContact CG-CG 4.43Å; L255-Y331 PolarHBondContact N-O 3.14Å; L255-Y331 VanDerWaalsContact N-O 3.11Å; Y331-R333 VanDerWaalsContact C-N 3.32Å; Y331-R333 PolarHBondContact O-N 3.14Å
332	L	95.9	Very high	96.9	Very high	64 Å²	64	28.5 Å²	28.5	34%	0.335	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	18.4	-178.5	-48.3	-176.2	0	0	0	116	V252 T254 W283 L330	V252-L332 HydrophobicContact CG1-CD1 4.18Å; T254-L332 HydrophobicContact CG2-CD1 3.89Å; W283-L332 PolarHBondContact N-O 3.35Å; L330-L332 PolarHBondContact O-N 2.96Å
333	R	97	Very high	96.8	Very high	25 Å²	25	29.1 Å²	29.1	9%	0.094	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.9	171.9	-57.4	-61.8	-59.6	178.9	2.8	110.6	L255 D280 T281 V329 L330 Y331	L255-R333 HydrophobicContact CB-CG 3.72Å; L255-R333 WeakPolarHBondContact O-CD 3.25Å; L255-R333 WeakPolarHBondContact O-CG 3.49Å; D280-R333 PolarHBondContact O-NH2 3.48Å; D280-R333 IonicContact OD1-NE 2.9Å; D280-R333 IonicContact OD2-CZ 3.33Å; D280-R333 IonicContact OD2-NE 3.72Å; D280-R333 PolarHBondContact OD2-NE 3.34Å; D280-R333 IonicContact OD2-NH2 2.8Å; D280-R333 PolarHBondContact OD2-NH2 2.93Å; T281-R333 VanDerWaalsContact C-CZ 3.42Å; T281-R333 WeakPolarHBondContact O-CA 3.42Å; V329-R333 CarbonylContact C-O 3.58Å; V329-R333 VanDerWaalsContact CA-O 3.28Å; V329-R333 WeakPolarHBondContact CA-O 3.28Å; L330-R333 PolarHBondContact N-O 3.43Å; L330-R333 WeakPolarHBondContact O-CB 3.43Å; L330-R333 PolarHBondContact O-N 3.33Å; Y331-R333 VanDerWaalsContact C-N 3.32Å; Y331-R333 PolarHBondContact O-N 3.14Å
334	A	96.4	Very high	96.6	Very high	15 Å²	15	29.4 Å²	29.4	12%	0.124	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.4	170.5	0	0	0	0	0	109	D280 T281 W283 V329	D280-A334 WeakPolarHBondContact CA-O 3.47Å; T281-A334 PolarHBondContact N-O 3.36Å; T281-A334 PolarHBondContact O-N 3.12Å; W283-A334 HydrophobicContact CB-CB 4.33Å; W283-A334 HydrophobicContact CE3-CB 3.8Å; V329-A334 HydrophobicContact CG2-CB 4.39Å
335	Q	96.3	Very high	96.4	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.7	-179.7	-58.1	-164.7	-47.6	0	0	109.3	M278 W279 D280 C327 R328	M278-Q335 HydrophobicContact SD-CB 4.01Å; M278-Q335 HydrophobicContact SD-CG 4.29Å; W279-Q335 VanDerWaalsContact O-CA 3.29Å; W279-Q335 WeakPolarHBondContact O-CA 3.5Å; D280-Q335 VanDerWaalsContact OD1-CG 3.27Å; D280-Q335 WeakPolarHBondContact OD1-CG 3.44Å; D280-Q335 PolarHBondContact OD1-NE2 2.93Å; C327-Q335 CarbonylContact C-O 3.54Å; C327-Q335 VanDerWaalsContact CA-O 3.25Å; C327-Q335 WeakPolarHBondContact CA-O 2.91Å; R328-Q335 HydrophobicContact CG-CB 3.96Å; R328-Q335 PolarHBondContact N-O 3.28Å; R328-Q335 PolarHBondContact O-N 2.87Å
336	C	97.1	Very high	96.3	Very high	8 Å²	8	35.7 Å²	35.7	5%	0.054	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.1	170.9	-67.3	0	0	0	0	108.9	M278 W279 R302 F325 D326 C327	M278-C336 CarbonylContact C-O 3.2Å; M278-C336 WeakPolarHBondContact CA-O 3.39Å; W279-C336 HydrophobicContact CE3-CB 4.28Å; W279-C336 PolarHBondContact N-O 3.02Å; W279-C336 PolarHBondContact O-N 3.32Å; R302-C336 PolarHBondContact NE-SG 3.11Å; F325-C336 HydrophobicContact CE2-CB 4.4Å; F325-C336 HydrophobicContact CZ-CB 4.37Å; D326-C336 CarbonylContact O-C 3.45Å; D326-C336 WeakPolarHBondContact O-CA 3.4Å; C327-C336 HydrophobicContact CB-CB 4.18Å; C327-C336 WeakPolarHBondContact CB-SG 3.45Å; C327-C336 WeakPolarHBondContact SG-CB 3.48Å; C327-C336 CovalentContact SG-SG 2.04Å; C327-C336 PolarHBondContact SG-SG 3.06Å
337	A	98.1	Very high	96.3	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.033	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141.8	-178.8	0	0	0	0	0	112.8	I277 M278 F325 D326	I277-A337 VanDerWaalsContact O-CA 3.22Å; I277-A337 WeakPolarHBondContact O-CA 3.25Å; M278-A337 HydrophobicContact CB-CB 4.08Å; M278-A337 HydrophobicContact CG-CB 4.37Å; F325-A337 WeakPolarHBondContact CA-O 3.03Å; F325-A337 VanDerWaalsContact CD2-O 3.24Å; F325-A337 WeakPolarHBondContact CD2-O 3.31Å; D326-A337 PolarHBondContact N-O 2.91Å; D326-A337 PolarHBondContact O-N 3.17Å
338	I	98.3	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120	156.2	-63.8	173.9	0	0	0	106.6	S276 I277 W279 L305 F306 F325 L358	S276-I338 WeakPolarHBondContact CA-O 3.39Å; I277-I338 PolarHBondContact N-O 3.38Å; I277-I338 PolarHBondContact O-N 3.01Å; W279-I338 HydrophobicContact CH2-CD1 3.97Å; W279-I338 HydrophobicContact CH2-CG1 4.22Å; W279-I338 HydrophobicContact CZ3-CD1 4.39Å; W279-I338 HydrophobicContact CZ3-CG1 4.14Å; L305-I338 HydrophobicContact CB-CD1 4.33Å; F306-I338 HydrophobicContact CB-CD1 4.46Å; F306-I338 HydrophobicContact CB-CG1 4.38Å; F306-I338 HydrophobicContact CD2-CG1 4.31Å; F306-I338 HydrophobicContact CD2-CG2 4.33Å; F325-I338 HydrophobicContact CD2-CG1 4.07Å; I338-L358 HydrophobicContact CD1-CD2 4.1Å
339	N	98.3	Very high	96.3	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.5	-179.9	-58.1	-64.8	0	0	0	109.8	R274 L275 S276 L323 G324 D326	R274-N339 HydrophobicContact CG-CB 4.27Å; L275-N339 CarbonylContact O-C 3.59Å; L275-N339 WeakPolarHBondContact O-CA 3.4Å; S276-N339 WeakPolarHBondContact CB-OD1 3.11Å; S276-N339 PolarHBondContact OG-OD1 3.41Å; L323-N339 WeakPolarHBondContact CA-O 3.35Å; G324-N339 PolarHBondContact N-O 3.16Å; G324-N339 PolarHBondContact O-N 2.79Å; D326-N339 PolarHBondContact OD1-ND2 3.31Å
340	I	98.3	Very high	96.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.2	175.6	-55.5	173.5	0	0	0	107.1	R274 L275 I277 I321 G322 L323 N350 L351 V354	R274-I340 CarbonylContact C-O 3.33Å; R274-I340 WeakPolarHBondContact CA-O 3.38Å; L275-I340 HydrophobicContact CB-CB 4.39Å; L275-I340 HydrophobicContact CD2-CD1 4.44Å; L275-I340 PolarHBondContact N-O 3.09Å; L275-I340 PolarHBondContact O-N 2.82Å; I277-I340 HydrophobicContact CD1-CD1 4.01Å; I321-I340 HydrophobicContact CD1-CG2 3.96Å; I321-I340 HydrophobicContact CG1-CG2 3.98Å; G322-I340 CarbonylContact O-C 3.58Å; G322-I340 WeakPolarHBondContact O-CA 3.39Å; L323-I340 HydrophobicContact CD2-CG1 4.12Å; I340-N350 HydrophobicContact CG2-CB 4.1Å; I340-L351 HydrophobicContact CD1-CD1 4.35Å; I340-V354 HydrophobicContact CD1-CB 3.81Å; I340-V354 HydrophobicContact CD1-CG1 4.06Å; I340-V354 HydrophobicContact CD1-CG2 3.65Å; I340-V354 HydrophobicContact CG1-CG2 4.09Å
341	E	97.7	Very high	96.4	Very high	59 Å²	59	30.6 Å²	30.6	28%	0.276	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.3	167.2	-59.1	-167.3	172.4	0	0	109.1	Q272 D273 R274 G322	Q272-E341 HydrophobicContact CG-CB 4.36Å; Q272-E341 PolarHBondContact NE2-OE2 2.96Å; Q272-E341 VanDerWaalsContact NE2-OE2 3.11Å; D273-E341 WeakPolarHBondContact O-CA 3.43Å; R274-E341 HydrophobicContact CG-CG 4.35Å; R274-E341 IonicContact CZ-OE1 3.1Å; R274-E341 IonicContact NE-OE1 2.86Å; R274-E341 PolarHBondContact NE-OE1 3.17Å; R274-E341 IonicContact NH2-OE1 3.71Å; R274-E341 PolarHBondContact NH2-OE1 3.32Å; G322-E341 PolarHBondContact N-O 3.35Å; G322-E341 PolarHBondContact O-N 3.5Å
342	S	96.7	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.3	-171	-178.4	0	0	0	0	110.7	D273 L347 N350	D273-S342 WeakPolarHBondContact CB-O 3.07Å; D273-S342 PolarHBondContact N-O 2.86Å; D273-S342 PolarHBondContact O-N 2.91Å; S342-L347 WeakPolarHBondContact OG-CA 3.39Å; S342-L347 PolarHBondContact OG-N 2.89Å; S342-N350 PolarHBondContact OG-ND2 3.01Å
343	P	94.9	Very high	96.4	Very high	40 Å²	40	31.9 Å²	31.9	26%	0.26	17%	0.173	S	C	.	.			trans	-57.5	146.7	155.9	-21.5	33.9	0	0	0	110.5	D320 D345 K346 L347	D320-P343 HydrophobicContact CB-CG 4.14Å; D320-P343 VanDerWaalsContact O-CD 3.27Å; D320-P343 WeakPolarHBondContact O-CD 3.47Å; P343-D345 VanDerWaalsContact C-N 3.35Å; P343-D345 WeakPolarHBondContact CB-OD1 3.4Å; P343-D345 PolarHBondContact O-N 3.23Å; P343-K346 HydrophobicContact CB-CB 4.49Å; P343-K346 HydrophobicContact CB-CG 4.29Å; P343-K346 HydrophobicContact CG-CG 4.42Å; P343-K346 PolarHBondContact O-N 3.45Å; P343-K346 VanDerWaalsContact O-N 3.09Å; P343-L347 PolarHBondContact O-N 2.93Å
344	N	93.3	Very high	96.5	Very high	49 Å²	49	30.7 Å²	30.7	26%	0.262	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-55.8	-45.4	-176.9	-174.4	-91.9	0	0	0	112.8	D273 K346 L347 Q451 F458	D273-N344 VanDerWaalsContact OD2-CA 3.32Å; D273-N344 WeakPolarHBondContact OD2-CA 3.42Å; D273-N344 WeakPolarHBondContact OD2-CB 3.27Å; D273-N344 PolarHBondContact OD2-ND2 3.33Å; N344-K346 PolarHBondContact O-N 3.09Å; N344-L347 WeakPolarHBondContact O-CB 3.39Å; N344-L347 PolarHBondContact O-N 3.41Å; N344-Q451 PolarHBondContact ND2-NE2 2.79Å; N344-F458 WeakPolarHBondContact O-CE2 3.44Å
345	D	93.4	Very high	96.5	Very high	118 Å²	118	30 Å²	30	63%	0.631	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-68.9	-17.8	-178.8	73.3	-54	0	0	0	113.7	P343	P343-D345 VanDerWaalsContact C-N 3.35Å; P343-D345 WeakPolarHBondContact CB-OD1 3.4Å; P343-D345 PolarHBondContact O-N 3.23Å
346	K	95.1	Very high	96.5	Very high	87 Å²	87	36.1 Å²	36.1	38%	0.378	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-98.8	-10.8	177.9	-58.1	-55	-179.1	-163.9	0	113.6	P343 N344 N348 S349 N350	P343-K346 HydrophobicContact CB-CB 4.49Å; P343-K346 HydrophobicContact CB-CG 4.29Å; P343-K346 HydrophobicContact CG-CG 4.42Å; P343-K346 PolarHBondContact O-N 3.45Å; P343-K346 VanDerWaalsContact O-N 3.09Å; N344-K346 PolarHBondContact O-N 3.09Å; K346-N348 PolarHBondContact O-N 3.04Å; K346-S349 WeakPolarHBondContact O-CA 3.47Å; K346-S349 WeakPolarHBondContact O-CB 3.41Å; K346-S349 PolarHBondContact O-N 3.14Å; K346-N350 WeakPolarHBondContact O-CB 3.46Å; K346-N350 PolarHBondContact O-N 3.26Å
347	L	95.9	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-47.2	-169.3	-178	61.4	0	0	0	113.2	L275 S342 P343 N344 S349 N350 L351 L449 F458 L463	L275-L347 HydrophobicContact CB-CD1 3.9Å; L275-L347 HydrophobicContact CD2-CD1 4.17Å; S342-L347 WeakPolarHBondContact OG-CA 3.39Å; S342-L347 PolarHBondContact OG-N 2.89Å; P343-L347 PolarHBondContact O-N 2.93Å; N344-L347 WeakPolarHBondContact O-CB 3.39Å; N344-L347 PolarHBondContact O-N 3.41Å; L347-S349 VanDerWaalsContact C-N 3.35Å; L347-S349 PolarHBondContact O-N 2.86Å; L347-N350 PolarHBondContact O-N 2.94Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 PolarHBondContact O-N 3.3Å; L347-L449 HydrophobicContact CD1-CD1 4.49Å; L347-L449 HydrophobicContact CD2-CD1 3.63Å; L347-L449 HydrophobicContact CD2-CD2 3.81Å; L347-L449 HydrophobicContact CD2-CG 4.39Å; L347-F458 HydrophobicContact CB-CE2 3.93Å; L347-F458 HydrophobicContact CB-CZ 4.01Å; L347-F458 HydrophobicContact CD2-CD1 4.12Å; L347-F458 HydrophobicContact CD2-CD2 3.9Å; L347-F458 HydrophobicContact CD2-CE1 4.09Å; L347-F458 HydrophobicContact CD2-CE2 3.86Å; L347-F458 HydrophobicContact CD2-CG 4.03Å; L347-F458 HydrophobicContact CD2-CZ 3.95Å; L347-F458 HydrophobicContact CG-CE2 4.38Å; L347-F458 HydrophobicContact CG-CZ 4.24Å; L347-L463 HydrophobicContact CD2-CD1 3.78Å; L347-L463 HydrophobicContact CG-CD1 4.14Å
348	N	95.5	Very high	96.5	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	19%	0.188	S	C	.	.	H	α-helix	trans	-63.5	-39	177.7	-82.8	-22.1	0	0	0	112.8	K346 N352 F458	K346-N348 PolarHBondContact O-N 3.04Å; N348-N352 VanDerWaalsContact O-CB 3.31Å; N348-N352 WeakPolarHBondContact O-CB 3.35Å; N348-N352 PolarHBondContact O-N 3.41Å; N348-F458 WeakPolarHBondContact OD1-CE1 3.34Å
349	S	95.4	Very high	96.4	Very high	72 Å²	72	37.4 Å²	37.4	50%	0.503	19%	0.192	S	C	.	.	H	α-helix	trans	-66.7	-43.5	177.3	-174.3	0	0	0	0	110.7	K346 L347 N352 L353	K346-S349 WeakPolarHBondContact O-CA 3.47Å; K346-S349 WeakPolarHBondContact O-CB 3.41Å; K346-S349 PolarHBondContact O-N 3.14Å; L347-S349 VanDerWaalsContact C-N 3.35Å; L347-S349 PolarHBondContact O-N 2.86Å; S349-N352 WeakPolarHBondContact O-CB 3.36Å; S349-N352 PolarHBondContact O-N 2.83Å; S349-L353 WeakPolarHBondContact O-CG 3.27Å; S349-L353 PolarHBondContact O-N 2.94Å
350	N	96.9	Very high	96.3	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-42.3	179.9	-78	-13.5	0	0	0	112	D320 I321 I340 S342 K346 L347 N352 L353 V354	D320-N350 PolarHBondContact O-ND2 3.41Å; I321-N350 HydrophobicContact CD1-CB 3.7Å; I321-N350 HydrophobicContact CG1-CB 4.31Å; I340-N350 HydrophobicContact CG2-CB 4.1Å; S342-N350 PolarHBondContact OG-ND2 3.01Å; K346-N350 WeakPolarHBondContact O-CB 3.46Å; K346-N350 PolarHBondContact O-N 3.26Å; L347-N350 PolarHBondContact O-N 2.94Å; N350-N352 VanDerWaalsContact C-N 3.32Å; N350-N352 PolarHBondContact O-N 2.88Å; N350-L353 PolarHBondContact O-N 3.14Å; N350-V354 WeakPolarHBondContact O-CG2 3.39Å; N350-V354 PolarHBondContact O-N 3.3Å; N350-V354 VanDerWaalsContact O-N 3.1Å
351	L	97.5	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-43.4	170	177.5	60.3	0	0	0	111.7	L275 I277 I340 L347 L353 V354 A355 L463 W467	L275-L351 HydrophobicContact CD2-CB 4.19Å; L275-L351 HydrophobicContact CD2-CD1 3.74Å; L275-L351 HydrophobicContact CD2-CD2 4.07Å; L275-L351 HydrophobicContact CD2-CG 4.22Å; I277-L351 HydrophobicContact CD1-CD1 4.24Å; I340-L351 HydrophobicContact CD1-CD1 4.35Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 PolarHBondContact O-N 3.3Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 3.32Å; L351-V354 PolarHBondContact O-N 3.37Å; L351-A355 WeakPolarHBondContact O-CB 3.35Å; L351-A355 PolarHBondContact O-N 3.25Å; L351-L463 HydrophobicContact CD2-CD1 4.38Å; L351-L463 HydrophobicContact CD2-CD2 3.47Å; L351-L463 VanDerWaalsContact CD2-CD2 3.47Å; L351-L463 HydrophobicContact CD2-CG 3.55Å; L351-W467 HydrophobicContact CD1-CE3 3.7Å; L351-W467 HydrophobicContact CD1-CZ3 4.1Å; L351-W467 HydrophobicContact CD2-CB 4.49Å
352	N	96.3	Very high	96.1	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-59.5	-44.6	179.1	-164.3	-71.6	0	0	0	111.6	N348 S349 N350 R356 I470	N348-N352 VanDerWaalsContact O-CB 3.31Å; N348-N352 WeakPolarHBondContact O-CB 3.35Å; N348-N352 PolarHBondContact O-N 3.41Å; S349-N352 WeakPolarHBondContact O-CB 3.36Å; S349-N352 PolarHBondContact O-N 2.83Å; N350-N352 VanDerWaalsContact C-N 3.32Å; N350-N352 PolarHBondContact O-N 2.88Å; N352-R356 WeakPolarHBondContact O-CB 3.36Å; N352-R356 VanDerWaalsContact O-CG 3.26Å; N352-R356 WeakPolarHBondContact O-CG 3.42Å; N352-R356 PolarHBondContact O-N 3.42Å; N352-R356 WeakPolarHBondContact OD1-CD 3.46Å; N352-R356 PolarHBondContact OD1-NE 2.78Å; N352-I470 HydrophobicContact CB-CD1 4.38Å
353	L	96.4	Very high	95.9	Very high	57 Å²	57	44.3 Å²	44.3	30%	0.298	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-53.6	176	-68.6	173.1	0	0	0	110.9	L313 S349 N350 L351 A355 R356 E357	L313-L353 HydrophobicContact CD2-CB 4.07Å; L313-L353 HydrophobicContact CD2-CD1 4.34Å; S349-L353 WeakPolarHBondContact O-CG 3.27Å; S349-L353 PolarHBondContact O-N 2.94Å; N350-L353 PolarHBondContact O-N 3.14Å; L351-L353 VanDerWaalsContact C-N 3.33Å; L351-L353 PolarHBondContact O-N 3.32Å; L353-A355 PolarHBondContact O-N 2.95Å; L353-R356 PolarHBondContact O-N 2.65Å; L353-E357 PolarHBondContact O-N 2.78Å
354	V	97.9	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-47.5	-178.6	174.9	0	0	0	0	111.5	I277 V309 I321 L323 I340 N350 L351 R356 E357 L358	I277-V354 HydrophobicContact CD1-CG1 3.81Å; V309-V354 HydrophobicContact CG1-CB 4.3Å; V309-V354 HydrophobicContact CG1-CG1 4Å; V309-V354 HydrophobicContact CG1-CG2 3.84Å; V309-V354 HydrophobicContact CG2-CG1 4.29Å; I321-V354 HydrophobicContact CD1-CG2 4.15Å; L323-V354 HydrophobicContact CD2-CG2 4.21Å; I340-V354 HydrophobicContact CD1-CB 3.81Å; I340-V354 HydrophobicContact CD1-CG1 4.06Å; I340-V354 HydrophobicContact CD1-CG2 3.65Å; I340-V354 HydrophobicContact CG1-CG2 4.09Å; N350-V354 WeakPolarHBondContact O-CG2 3.39Å; N350-V354 PolarHBondContact O-N 3.3Å; N350-V354 VanDerWaalsContact O-N 3.1Å; L351-V354 PolarHBondContact O-N 3.37Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 2.89Å; V354-E357 PolarHBondContact O-N 2.82Å; V354-L358 HydrophobicContact CG1-CD1 4.11Å; V354-L358 HydrophobicContact CG1-CG 4.37Å; V354-L358 WeakPolarHBondContact O-CG 3.43Å; V354-L358 PolarHBondContact O-N 2.89Å
355	A	97.2	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-36.8	179.4	0	0	0	0	0	112.2	L351 L353 L358 A359 W467 I470 M471	L351-A355 WeakPolarHBondContact O-CB 3.35Å; L351-A355 PolarHBondContact O-N 3.25Å; L353-A355 PolarHBondContact O-N 2.95Å; A355-L358 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact O-CB 3.42Å; A355-A359 PolarHBondContact O-N 3.11Å; A355-W467 HydrophobicContact CB-CE3 3.88Å; A355-W467 HydrophobicContact CB-CZ3 3.93Å; A355-I470 HydrophobicContact CB-CB 4.16Å; A355-I470 HydrophobicContact CB-CD1 3.9Å; A355-I470 HydrophobicContact CB-CG2 3.84Å; A355-I470 WeakPolarHBondContact O-CG2 3.15Å; A355-M471 HydrophobicContact CB-CG 4.41Å; A355-M471 HydrophobicContact CB-SD 4.47Å; A355-M471 VanDerWaalsContact O-SD 3.41Å
356	R	96.7	Very high	96.3	Very high	134 Å²	134	43.3 Å²	43.3	51%	0.506	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-40.9	176.5	-77.8	-177.5	-173	-74.5	-1.1	112.6	N352 L353 V354 A359 K360 I470	N352-R356 WeakPolarHBondContact O-CB 3.36Å; N352-R356 VanDerWaalsContact O-CG 3.26Å; N352-R356 WeakPolarHBondContact O-CG 3.42Å; N352-R356 PolarHBondContact O-N 3.42Å; N352-R356 WeakPolarHBondContact OD1-CD 3.46Å; N352-R356 PolarHBondContact OD1-NE 2.78Å; L353-R356 PolarHBondContact O-N 2.65Å; V354-R356 VanDerWaalsContact C-N 3.28Å; V354-R356 PolarHBondContact O-N 2.89Å; R356-A359 PolarHBondContact O-N 3.37Å; R356-K360 WeakPolarHBondContact O-CG 3.45Å; R356-K360 PolarHBondContact O-N 3.46Å; R356-I470 HydrophobicContact CG-CD1 4.39Å; R356-I470 HydrophobicContact CG-CG2 4.13Å
357	E	97.3	Very high	96.3	Very high	28 Å²	28	42.5 Å²	42.5	13%	0.131	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-40.8	175.9	-59.8	-47.1	132.3	0	0	111	H308 V309 A312 L353 V354 A359 K360 V361	H308-E357 IonicContact NE2-OE2 3.63Å; V309-E357 HydrophobicContact CG2-CB 4.14Å; A312-E357 HydrophobicContact CB-CG 3.71Å; L353-E357 PolarHBondContact O-N 2.78Å; V354-E357 PolarHBondContact O-N 2.82Å; E357-A359 PolarHBondContact O-N 3.17Å; E357-K360 WeakPolarHBondContact O-CB 3.49Å; E357-K360 PolarHBondContact O-N 3.25Å; E357-K360 IonicContact OE1-NZ 2.65Å; E357-K360 PolarHBondContact OE1-NZ 3.22Å; E357-K360 VanDerWaalsContact OE2-CD 3.31Å; E357-K360 WeakPolarHBondContact OE2-CD 3.27Å; E357-K360 IonicContact OE2-NZ 2.81Å; E357-K360 PolarHBondContact OE2-NZ 3.27Å; E357-V361 PolarHBondContact O-N 3.14Å; E357-V361 VanDerWaalsContact O-N 3.11Å
358	L	97.5	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-43.6	172.5	-65	178.2	0	0	0	112.1	I277 L305 V309 I338 V354 A355 K360 V361 R362 L441 W467 M471	I277-L358 HydrophobicContact CD1-CD1 4.28Å; L305-L358 HydrophobicContact CB-CD2 3.93Å; L305-L358 HydrophobicContact CD1-CD2 4.49Å; L305-L358 HydrophobicContact CD2-CD2 4.01Å; L305-L358 HydrophobicContact CG-CD2 4.36Å; V309-L358 HydrophobicContact CG2-CD2 3.84Å; V309-L358 HydrophobicContact CG2-CG 4.2Å; I338-L358 HydrophobicContact CD1-CD2 4.1Å; V354-L358 HydrophobicContact CG1-CD1 4.11Å; V354-L358 HydrophobicContact CG1-CG 4.37Å; V354-L358 WeakPolarHBondContact O-CG 3.43Å; V354-L358 PolarHBondContact O-N 2.89Å; A355-L358 PolarHBondContact O-N 3.22Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.45Å; L358-V361 PolarHBondContact O-N 2.77Å; L358-R362 PolarHBondContact O-N 3.11Å; L358-L441 HydrophobicContact CB-CD2 4.09Å; L358-L441 HydrophobicContact CD2-CD2 4.33Å; L358-L441 WeakPolarHBondContact O-CD1 3.44Å; L358-W467 HydrophobicContact CD1-CH2 3.9Å; L358-W467 HydrophobicContact CD1-CZ3 4.21Å; L358-M471 HydrophobicContact CB-CE 4.15Å; L358-M471 HydrophobicContact CB-SD 4.13Å
359	A	95.8	Very high	96.5	Very high	10 Å²	10	54 Å²	54	8%	0.083	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-37.4	176.4	0	0	0	0	0	112.4	A355 R356 E357 V361 R362 D363 I470 M471	A355-A359 WeakPolarHBondContact O-CB 3.42Å; A355-A359 PolarHBondContact O-N 3.11Å; R356-A359 PolarHBondContact O-N 3.37Å; E357-A359 PolarHBondContact O-N 3.17Å; A359-V361 VanDerWaalsContact C-N 3.34Å; A359-V361 PolarHBondContact O-N 3.02Å; A359-R362 WeakPolarHBondContact O-CB 3.46Å; A359-R362 PolarHBondContact O-N 2.85Å; A359-D363 WeakPolarHBondContact O-CB 3.22Å; A359-D363 VanDerWaalsContact O-CG 3.24Å; A359-D363 PolarHBondContact O-N 2.95Å; A359-I470 HydrophobicContact CB-CG2 3.97Å; A359-M471 HydrophobicContact CB-SD 4.02Å
360	K	95.8	Very high	96.5	Very high	102 Å²	102	51.5 Å²	51.5	44%	0.443	24%	0.244	S	C	.	.	H	α-helix	trans	-59.9	-44.6	172.9	-73.5	172.6	-167.8	169.4	0	111.4	R356 E357 L358 D363 K364	R356-K360 WeakPolarHBondContact O-CG 3.45Å; R356-K360 PolarHBondContact O-N 3.46Å; E357-K360 WeakPolarHBondContact O-CB 3.49Å; E357-K360 PolarHBondContact O-N 3.25Å; E357-K360 IonicContact OE1-NZ 2.65Å; E357-K360 PolarHBondContact OE1-NZ 3.22Å; E357-K360 VanDerWaalsContact OE2-CD 3.31Å; E357-K360 WeakPolarHBondContact OE2-CD 3.27Å; E357-K360 IonicContact OE2-NZ 2.81Å; E357-K360 PolarHBondContact OE2-NZ 3.27Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.45Å; K360-D363 PolarHBondContact O-N 3.05Å; K360-K364 WeakPolarHBondContact O-CB 3.34Å; K360-K364 PolarHBondContact O-N 2.85Å
361	V	97.2	Very high	96.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-39.6	176.8	179.6	0	0	0	0	111.3	L305 H308 E357 L358 A359 D363 G365 L437 L441	L305-V361 HydrophobicContact CD2-CB 4.15Å; L305-V361 HydrophobicContact CD2-CG1 3.74Å; H308-V361 HydrophobicContact CB-CG2 4.2Å; H308-V361 WeakPolarHBondContact CD2-CG2 3.37Å; E357-V361 PolarHBondContact O-N 3.14Å; E357-V361 VanDerWaalsContact O-N 3.11Å; L358-V361 PolarHBondContact O-N 2.77Å; A359-V361 VanDerWaalsContact C-N 3.34Å; A359-V361 PolarHBondContact O-N 3.02Å; V361-D363 VanDerWaalsContact C-N 3.32Å; V361-D363 PolarHBondContact O-N 2.94Å; V361-G365 WeakPolarHBondContact O-CA 3.24Å; V361-G365 PolarHBondContact O-N 2.85Å; V361-L437 HydrophobicContact CG1-CB 4.28Å; V361-L437 HydrophobicContact CG1-CD1 3.84Å; V361-L437 HydrophobicContact CG1-CD2 4.18Å; V361-L437 HydrophobicContact CG1-CG 4.35Å; V361-L441 HydrophobicContact CB-CD1 4.31Å; V361-L441 HydrophobicContact CG1-CD1 4.27Å
362	R	94.8	Very high	96.6	Very high	36 Å²	36	55.7 Å²	55.7	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-49.6	173.7	-171.6	-167.7	63.1	-158.7	-6.6	111.3	L358 A359 L441 M471 A472	L358-R362 PolarHBondContact O-N 3.11Å; A359-R362 WeakPolarHBondContact O-CB 3.46Å; A359-R362 PolarHBondContact O-N 2.85Å; R362-L441 HydrophobicContact CB-CB 4.29Å; R362-L441 HydrophobicContact CB-CD1 3.67Å; R362-L441 HydrophobicContact CG-CB 4.18Å; R362-L441 HydrophobicContact CG-CD1 4.4Å; R362-M471 PolarHBondContact NH1-O 3.03Å; R362-A472 PolarHBondContact NH1-O 3.38Å
363	D	94.1	Very high	96.7	Very high	80 Å²	80	55.5 Å²	55.5	43%	0.428	27%	0.272	S	S	.	.	H	α-helix	trans	-81.6	-37	-168.9	-66.1	-17.1	0	0	0	112.3	A359 K360 V361	A359-D363 WeakPolarHBondContact O-CB 3.22Å; A359-D363 VanDerWaalsContact O-CG 3.24Å; A359-D363 PolarHBondContact O-N 2.95Å; K360-D363 PolarHBondContact O-N 3.05Å; V361-D363 VanDerWaalsContact C-N 3.32Å; V361-D363 PolarHBondContact O-N 2.94Å
364	K	95.2	Very high	96.7	Very high	175 Å²	175	52.9 Å²	52.9	76%	0.761	26%	0.258	S	S	*	.	H	α-helix	trans	-112.8	-13.5	-172.4	-60	-174.6	179.3	-177.3	0	114.1	K360	K360-K364 WeakPolarHBondContact O-CB 3.34Å; K360-K364 PolarHBondContact O-N 2.85Å
365	G	96.3	Very high	96.7	Very high	6 Å²	6	53.5 Å²	53.5	6%	0.062	26%	0.261	C	S	.	.			trans	73.7	177.2	-166.9	0	0	0	0	0	112.5	V361 N434	V361-G365 WeakPolarHBondContact O-CA 3.24Å; V361-G365 PolarHBondContact O-N 2.85Å; G365-N434 VanDerWaalsContact CA-OD1 3.25Å; G365-N434 WeakPolarHBondContact CA-OD1 3.38Å
366	L	97.3	Very high	96.8	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.284	C	S	.	.			trans	-73.2	134.1	170.9	-158.9	69.5	0	0	0	109.7	A304 H308 E370 F371 L433 N434 L437	A304-L366 HydrophobicContact CB-CD2 4.36Å; H308-L366 HydrophobicContact CB-CD1 4.09Å; L366-E370 HydrophobicContact CD1-CB 4.32Å; L366-E370 HydrophobicContact CD1-CG 3.66Å; L366-E370 WeakPolarHBondContact CD1-OE2 3.45Å; L366-E370 HydrophobicContact CD2-CG 4.1Å; L366-E370 HydrophobicContact CG-CB 4.07Å; L366-E370 HydrophobicContact CG-CG 3.83Å; L366-F371 HydrophobicContact CD2-CB 4.08Å; L366-L433 HydrophobicContact CD2-CD2 3.82Å; L366-N434 PolarHBondContact N-OD1 3.39Å; L366-L437 HydrophobicContact CB-CD1 3.98Å
367	P	96	Very high	96.8	Very high	69 Å²	69	53.1 Å²	53.1	45%	0.448	28%	0.275	S	S	.	.			trans	-58.2	146.6	170.7	-22.8	33.4	0	0	0	112	E369 E370 F371	P367-E369 VanDerWaalsContact C-N 3.3Å; P367-E369 PolarHBondContact O-N 3.36Å; P367-E370 HydrophobicContact CB-CB 4.29Å; P367-E370 WeakPolarHBondContact CD-OE2 3.41Å; P367-E370 PolarHBondContact O-N 3.41Å; P367-E370 VanDerWaalsContact O-N 3.11Å; P367-F371 PolarHBondContact O-N 3.3Å
368	E	97	Very high	96.9	Very high	134 Å²	134	53.2 Å²	53.2	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-59.8	-38.7	-178.9	-170.9	-179.3	173.7	0	0	112.7	E370 F371 N372	E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 2.93Å; E368-F371 WeakPolarHBondContact O-CB 3.33Å; E368-F371 PolarHBondContact O-N 2.92Å; E368-N372 WeakPolarHBondContact O-CB 3.03Å; E368-N372 PolarHBondContact O-N 3.06Å; E368-N372 PolarHBondContact O-ND2 3.48Å
369	E	97.1	Very high	96.9	Very high	168 Å²	168	56.2 Å²	56.2	79%	0.785	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-43.1	175.7	-175.5	177.4	-175.7	0	0	112	P367 N372 A373	P367-E369 VanDerWaalsContact C-N 3.3Å; P367-E369 PolarHBondContact O-N 3.36Å; E369-N372 PolarHBondContact O-N 3.02Å; E369-A373 WeakPolarHBondContact O-CB 3.41Å; E369-A373 PolarHBondContact O-N 3.27Å
370	E	97.1	Very high	97	Very high	20 Å²	20	59 Å²	59	9%	0.093	30%	0.301	C	S	.	.	H	α-helix	trans	-69.9	-40.2	179.3	179.3	167.6	-166.6	0	0	111.8	H308 Q311 L366 P367 E368 A373 L374	H308-E370 WeakPolarHBondContact CA-OE1 3.29Å; H308-E370 VanDerWaalsContact CB-OE1 3.28Å; H308-E370 WeakPolarHBondContact CB-OE1 3.44Å; H308-E370 IonicContact CE1-OE2 3.69Å; H308-E370 IonicContact CG-OE1 3.73Å; H308-E370 IonicContact CG-OE2 2.98Å; H308-E370 IonicContact ND1-OE1 3.84Å; H308-E370 PolarHBondContact ND1-OE1 3.25Å; H308-E370 IonicContact ND1-OE2 3.91Å; H308-E370 PolarHBondContact ND1-OE2 3.38Å; Q311-E370 VanDerWaalsContact NE2-CG 3.33Å; Q311-E370 PolarHBondContact NE2-OE1 2.97Å; L366-E370 HydrophobicContact CD1-CB 4.32Å; L366-E370 HydrophobicContact CD1-CG 3.66Å; L366-E370 WeakPolarHBondContact CD1-OE2 3.45Å; L366-E370 HydrophobicContact CD2-CG 4.1Å; L366-E370 HydrophobicContact CG-CB 4.07Å; L366-E370 HydrophobicContact CG-CG 3.83Å; P367-E370 HydrophobicContact CB-CB 4.29Å; P367-E370 WeakPolarHBondContact CD-OE2 3.41Å; P367-E370 PolarHBondContact O-N 3.41Å; P367-E370 VanDerWaalsContact O-N 3.11Å; E368-E370 VanDerWaalsContact C-N 3.34Å; E368-E370 PolarHBondContact O-N 2.93Å; E370-A373 PolarHBondContact O-N 3.49Å; E370-L374 WeakPolarHBondContact O-CB 3.29Å; E370-L374 PolarHBondContact O-N 2.8Å
371	F	98	Very high	97.1	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-56.2	-49.9	170.3	169.3	-100.2	0	0	0	111.5	L366 P367 E368 A373 L374 V375 L428 T429 V430 L433	L366-F371 HydrophobicContact CD2-CB 4.08Å; P367-F371 PolarHBondContact O-N 3.3Å; E368-F371 WeakPolarHBondContact O-CB 3.33Å; E368-F371 PolarHBondContact O-N 2.92Å; F371-A373 VanDerWaalsContact C-N 3.33Å; F371-A373 PolarHBondContact O-N 3.09Å; F371-L374 PolarHBondContact O-N 3.39Å; F371-V375 HydrophobicContact CD2-CG2 4.16Å; F371-V375 HydrophobicContact CE1-CG2 4.1Å; F371-V375 HydrophobicContact CE2-CG2 3.7Å; F371-V375 HydrophobicContact CZ-CG2 3.67Å; F371-V375 WeakPolarHBondContact O-CG2 3.48Å; F371-V375 PolarHBondContact O-N 3.1Å; F371-L428 HydrophobicContact CE2-CD2 3.75Å; F371-L428 HydrophobicContact CE2-CG 3.92Å; F371-L428 HydrophobicContact CZ-CD2 4.2Å; F371-L428 HydrophobicContact CZ-CG 4.09Å; F371-T429 VanDerWaalsContact CZ-C 3.44Å; F371-V430 HydrophobicContact CB-CB 4.23Å; F371-V430 HydrophobicContact CB-CG2 3.88Å; F371-V430 HydrophobicContact CD1-CB 3.88Å; F371-V430 HydrophobicContact CD1-CG2 4.47Å; F371-V430 HydrophobicContact CD2-CB 4.21Å; F371-V430 HydrophobicContact CD2-CG2 4.42Å; F371-V430 HydrophobicContact CE1-CB 4.3Å; F371-V430 HydrophobicContact CG-CB 3.83Å; F371-V430 HydrophobicContact CG-CG2 4.01Å; F371-L433 HydrophobicContact CD2-CB 4.29Å; F371-L433 HydrophobicContact CD2-CD2 3.62Å; F371-L433 HydrophobicContact CE2-CB 4.19Å; F371-L433 HydrophobicContact CE2-CD2 4.09Å
372	N	98	Very high	97.1	Very high	82 Å²	82	58.5 Å²	58.5	44%	0.439	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-41.1	-179.5	-73.8	-28.8	0	0	0	111.7	E368 E369 V375 A376	E368-N372 WeakPolarHBondContact O-CB 3.03Å; E368-N372 PolarHBondContact O-N 3.06Å; E368-N372 PolarHBondContact O-ND2 3.48Å; E369-N372 PolarHBondContact O-N 3.02Å; N372-V375 PolarHBondContact O-N 3.27Å; N372-A376 VanDerWaalsContact O-CB 3.25Å; N372-A376 WeakPolarHBondContact O-CB 3.39Å; N372-A376 PolarHBondContact O-N 3.3Å
373	A	97.8	Very high	97.2	Very high	45 Å²	45	63.4 Å²	63.4	37%	0.372	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-45.8	175.7	0	0	0	0	0	112.1	E369 E370 F371 A376 Q377	E369-A373 WeakPolarHBondContact O-CB 3.41Å; E369-A373 PolarHBondContact O-N 3.27Å; E370-A373 PolarHBondContact O-N 3.49Å; F371-A373 VanDerWaalsContact C-N 3.33Å; F371-A373 PolarHBondContact O-N 3.09Å; A373-A376 PolarHBondContact O-N 3.47Å; A373-Q377 WeakPolarHBondContact O-CB 3.28Å; A373-Q377 PolarHBondContact O-N 3.15Å
374	L	97.5	Very high	97.4	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-48.6	176.5	176.8	63.9	0	0	0	111.3	L300 A304 W307 E370 F371 A376 Q377 K378 L433	L300-L374 HydrophobicContact CD1-CD1 4.48Å; L300-L374 HydrophobicContact CD1-CD2 4.03Å; L300-L374 HydrophobicContact CD1-CG 4.26Å; L300-L374 HydrophobicContact CG-CD2 4.47Å; A304-L374 HydrophobicContact CB-CD2 3.53Å; W307-L374 HydrophobicContact CD2-CD1 4.21Å; W307-L374 HydrophobicContact CE3-CD1 4.37Å; W307-L374 HydrophobicContact CG-CD1 4.29Å; E370-L374 WeakPolarHBondContact O-CB 3.29Å; E370-L374 PolarHBondContact O-N 2.8Å; F371-L374 PolarHBondContact O-N 3.39Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 3.41Å; L374-Q377 WeakPolarHBondContact O-CB 3.04Å; L374-Q377 PolarHBondContact O-N 3.1Å; L374-K378 WeakPolarHBondContact O-CG 3.46Å; L374-K378 PolarHBondContact O-N 2.93Å; L374-L433 HydrophobicContact CD2-CD2 4.47Å
375	V	98.1	Very high	97.4	Very high	12 Å²	12	58.7 Å²	58.7	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-41.4	178.9	171.9	0	0	0	0	111.2	F371 N372 Q377 K378 K379 L428	F371-V375 HydrophobicContact CD2-CG2 4.16Å; F371-V375 HydrophobicContact CE1-CG2 4.1Å; F371-V375 HydrophobicContact CE2-CG2 3.7Å; F371-V375 HydrophobicContact CZ-CG2 3.67Å; F371-V375 WeakPolarHBondContact O-CG2 3.48Å; F371-V375 PolarHBondContact O-N 3.1Å; N372-V375 PolarHBondContact O-N 3.27Å; V375-Q377 VanDerWaalsContact C-N 3.34Å; V375-Q377 PolarHBondContact O-N 3.1Å; V375-K378 PolarHBondContact O-N 3.05Å; V375-K379 HydrophobicContact CG1-CD 4.16Å; V375-K379 HydrophobicContact CG1-CG 4.44Å; V375-K379 WeakPolarHBondContact O-CG 3.49Å; V375-K379 PolarHBondContact O-N 2.81Å; V375-L428 HydrophobicContact CG2-CD2 4.2Å
376	A	98.1	Very high	97.4	Very high	58 Å²	58	61.9 Å²	61.9	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-43.2	176	0	0	0	0	0	111.8	N372 A373 L374 K379 L380	N372-A376 VanDerWaalsContact O-CB 3.25Å; N372-A376 WeakPolarHBondContact O-CB 3.39Å; N372-A376 PolarHBondContact O-N 3.3Å; A373-A376 PolarHBondContact O-N 3.47Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 3.41Å; A376-K379 PolarHBondContact O-N 3.47Å; A376-L380 PolarHBondContact O-N 3.46Å
377	Q	97.7	Very high	97.3	Very high	68 Å²	68	64 Å²	64	32%	0.318	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-45.6	175.1	177	58.4	27.7	0	0	111.6	W307 A373 L374 V375 K379 L380 E381	W307-Q377 HydrophobicContact CH2-CB 4.5Å; W307-Q377 HydrophobicContact CH2-CG 4.28Å; W307-Q377 HydrophobicContact CZ3-CG 4.31Å; A373-Q377 WeakPolarHBondContact O-CB 3.28Å; A373-Q377 PolarHBondContact O-N 3.15Å; L374-Q377 WeakPolarHBondContact O-CB 3.04Å; L374-Q377 PolarHBondContact O-N 3.1Å; V375-Q377 VanDerWaalsContact C-N 3.34Å; V375-Q377 PolarHBondContact O-N 3.1Å; Q377-K379 VanDerWaalsContact C-N 3.35Å; Q377-K379 PolarHBondContact O-N 2.86Å; Q377-L380 WeakPolarHBondContact O-CB 3.22Å; Q377-L380 PolarHBondContact O-N 2.78Å; Q377-E381 PolarHBondContact NE2-OE1 3.32Å; Q377-E381 WeakPolarHBondContact O-CG 3.15Å; Q377-E381 PolarHBondContact O-N 3.16Å
378	K	98	Very high	97.2	Very high	30 Å²	30	63.7 Å²	63.7	13%	0.13	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-35.3	176.7	-64.4	-49.3	-174	174.1	0	113.2	L300 E303 L374 V375 E381 L382 L425	L300-K378 HydrophobicContact CD1-CG 4.11Å; E303-K378 IonicContact OE1-NZ 3.38Å; E303-K378 WeakPolarHBondContact OE2-CE 3.35Å; E303-K378 IonicContact OE2-NZ 2.72Å; E303-K378 PolarHBondContact OE2-NZ 3.29Å; L374-K378 WeakPolarHBondContact O-CG 3.46Å; L374-K378 PolarHBondContact O-N 2.93Å; V375-K378 PolarHBondContact O-N 3.05Å; K378-E381 WeakPolarHBondContact CD-OE2 3.47Å; K378-E381 IonicContact NZ-OE2 3.23Å; K378-E381 PolarHBondContact NZ-OE2 2.92Å; K378-E381 PolarHBondContact O-N 3.18Å; K378-L382 WeakPolarHBondContact O-CB 3.26Å; K378-L382 PolarHBondContact O-N 3.37Å; K378-L425 HydrophobicContact CB-CD1 3.96Å; K378-L425 HydrophobicContact CB-CD2 3.9Å
379	K	98.3	Very high	97.1	Very high	63 Å²	63	59.9 Å²	59.9	27%	0.274	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-39.7	173	-73.4	-179.8	-177.4	-176.6	0	111.4	V375 A376 Q377 L382 Q383 L425 N426	V375-K379 HydrophobicContact CG1-CD 4.16Å; V375-K379 HydrophobicContact CG1-CG 4.44Å; V375-K379 WeakPolarHBondContact O-CG 3.49Å; V375-K379 PolarHBondContact O-N 2.81Å; A376-K379 PolarHBondContact O-N 3.47Å; Q377-K379 VanDerWaalsContact C-N 3.35Å; Q377-K379 PolarHBondContact O-N 2.86Å; K379-L382 PolarHBondContact O-N 2.9Å; K379-Q383 WeakPolarHBondContact O-CG 3.21Å; K379-Q383 PolarHBondContact O-N 3.37Å; K379-L425 HydrophobicContact CG-CB 4.32Å; K379-L425 HydrophobicContact CG-CD1 3.97Å; K379-N426 WeakPolarHBondContact CE-OD1 3.25Å; K379-N426 PolarHBondContact NZ-OD1 3.06Å
380	L	98	Very high	96.8	Very high	68 Å²	68	54.8 Å²	54.8	36%	0.356	30%	0.303	S	S	.	.	H	α-helix	trans	-65.2	-39.9	175.4	-179.4	62.5	0	0	0	112.2	A376 Q377 Q383 K384	A376-L380 PolarHBondContact O-N 3.46Å; Q377-L380 WeakPolarHBondContact O-CB 3.22Å; Q377-L380 PolarHBondContact O-N 2.78Å; L380-Q383 PolarHBondContact O-N 2.92Å; L380-K384 WeakPolarHBondContact O-CG 3.48Å; L380-K384 PolarHBondContact O-N 2.88Å
381	E	97.2	Very high	96.6	Very high	85 Å²	85	63.9 Å²	63.9	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-45.1	172.5	-72.6	166.7	-166.6	0	0	111.1	Q377 K378 Q383 K384 L385	Q377-E381 PolarHBondContact NE2-OE1 3.32Å; Q377-E381 WeakPolarHBondContact O-CG 3.15Å; Q377-E381 PolarHBondContact O-N 3.16Å; K378-E381 WeakPolarHBondContact CD-OE2 3.47Å; K378-E381 IonicContact NZ-OE2 3.23Å; K378-E381 PolarHBondContact NZ-OE2 2.92Å; K378-E381 PolarHBondContact O-N 3.18Å; E381-Q383 VanDerWaalsContact C-N 3.33Å; E381-Q383 PolarHBondContact O-N 3.32Å; E381-K384 PolarHBondContact O-N 3.27Å; E381-L385 PolarHBondContact O-N 3.38Å
382	L	98	Very high	96.5	Very high	8 Å²	8	63.8 Å²	63.8	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-37.3	178.2	-170.2	60.9	0	0	0	112.9	K378 K379 K384 L385 Y417 Q418 R421 Q422 L425	K378-L382 WeakPolarHBondContact O-CB 3.26Å; K378-L382 PolarHBondContact O-N 3.37Å; K379-L382 PolarHBondContact O-N 2.9Å; L382-K384 PolarHBondContact O-N 3.16Å; L382-L385 HydrophobicContact CD1-CD2 4.27Å; L382-L385 WeakPolarHBondContact O-CB 3.48Å; L382-L385 PolarHBondContact O-N 3.11Å; L382-L385 VanDerWaalsContact O-N 3.15Å; L382-Y417 HydrophobicContact CD1-CD1 4.15Å; L382-Y417 HydrophobicContact CD1-CE1 3.82Å; L382-Q418 HydrophobicContact CD1-CG 4.15Å; L382-Q418 HydrophobicContact CD2-CG 4.47Å; L382-Q418 HydrophobicContact CG-CG 4.15Å; L382-R421 HydrophobicContact CD1-CB 3.91Å; L382-R421 HydrophobicContact CD1-CG 3.9Å; L382-R421 HydrophobicContact CD2-CB 4.04Å; L382-R421 HydrophobicContact CD2-CG 4.04Å; L382-Q422 HydrophobicContact CD2-CB 3.9Å; L382-L425 HydrophobicContact CD2-CD1 4.22Å
383	Q	97	Very high	96.4	Very high	140 Å²	140	62.5 Å²	62.5	65%	0.654	33%	0.332	S	S	*	.	H	α-helix	trans	-61.9	-29.9	174.2	-74.1	172.2	-2.1	0	0	112.5	K379 L380 E381 L385	K379-Q383 WeakPolarHBondContact O-CG 3.21Å; K379-Q383 PolarHBondContact O-N 3.37Å; L380-Q383 PolarHBondContact O-N 2.92Å; E381-Q383 VanDerWaalsContact C-N 3.33Å; E381-Q383 PolarHBondContact O-N 3.32Å; Q383-L385 VanDerWaalsContact C-N 3.35Å
384	K	97.2	Very high	96.4	Very high	118 Å²	118	60.4 Å²	60.4	51%	0.513	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.7	179.1	-65.4	172.4	-176	173.9	0	113.1	L380 E381 L382 F386 A387 A388	L380-K384 WeakPolarHBondContact O-CG 3.48Å; L380-K384 PolarHBondContact O-N 2.88Å; E381-K384 PolarHBondContact O-N 3.27Å; L382-K384 PolarHBondContact O-N 3.16Å; K384-F386 PolarHBondContact O-N 3.46Å; K384-A387 PolarHBondContact O-N 3.4Å; K384-A387 VanDerWaalsContact O-N 3.15Å; K384-A388 WeakPolarHBondContact O-CB 3.1Å; K384-A388 PolarHBondContact O-N 3.38Å
385	L	96.6	Very high	96.4	Very high	38 Å²	38	62.2 Å²	62.2	20%	0.199	32%	0.324	C	S	.	.	H	α-helix	trans	-50.1	-55.2	-173.9	177.6	70.1	0	0	0	112.8	E381 L382 Q383 A387 A388 Y389 P414 Y417 Q418	E381-L385 PolarHBondContact O-N 3.38Å; L382-L385 HydrophobicContact CD1-CD2 4.27Å; L382-L385 WeakPolarHBondContact O-CB 3.48Å; L382-L385 PolarHBondContact O-N 3.11Å; L382-L385 VanDerWaalsContact O-N 3.15Å; Q383-L385 VanDerWaalsContact C-N 3.35Å; L385-A387 VanDerWaalsContact C-N 3.35Å; L385-A387 PolarHBondContact O-N 3.37Å; L385-A388 PolarHBondContact O-N 2.96Å; L385-Y389 WeakPolarHBondContact O-CB 3.38Å; L385-Y389 PolarHBondContact O-N 2.98Å; L385-P414 HydrophobicContact CD2-CB 4.32Å; L385-P414 WeakPolarHBondContact CD2-O 3.38Å; L385-Y417 HydrophobicContact CD1-CD1 4.07Å; L385-Y417 HydrophobicContact CD1-CE1 4.17Å; L385-Y417 HydrophobicContact CD2-CD1 3.63Å; L385-Y417 HydrophobicContact CD2-CE1 4.3Å; L385-Q418 HydrophobicContact CD2-CB 3.87Å; L385-Q418 HydrophobicContact CD2-CG 4.45Å
386	F	95.4	Very high	96.3	Very high	72 Å²	72	65.1 Å²	65.1	32%	0.316	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-36.3	-177.3	-72.2	-74.3	0	0	0	112.9	K384 A388 Y389 A390 P414 E415 Q418	K384-F386 PolarHBondContact O-N 3.46Å; F386-A388 VanDerWaalsContact C-N 3.34Å; F386-Y389 PolarHBondContact O-N 3.37Å; F386-A390 WeakPolarHBondContact O-CB 3.42Å; F386-A390 PolarHBondContact O-N 2.93Å; F386-P414 HydrophobicContact CD1-CB 4.11Å; F386-P414 HydrophobicContact CE1-CB 3.67Å; F386-P414 HydrophobicContact CZ-CB 4.35Å; F386-E415 HydrophobicContact CE1-CG 4.1Å; F386-E415 WeakPolarHBondContact CE1-OE1 3.49Å; F386-E415 HydrophobicContact CZ-CB 4.47Å; F386-E415 HydrophobicContact CZ-CG 3.91Å; F386-Q418 HydrophobicContact CE2-CB 4.49Å
387	A	95.3	Very high	96.3	Very high	52 Å²	52	62.6 Å²	62.6	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-38.8	175.7	0	0	0	0	0	111.3	K384 L385 R391	K384-A387 PolarHBondContact O-N 3.4Å; K384-A387 VanDerWaalsContact O-N 3.15Å; L385-A387 VanDerWaalsContact C-N 3.35Å; L385-A387 PolarHBondContact O-N 3.37Å; A387-R391 VanDerWaalsContact O-CG 3.28Å; A387-R391 WeakPolarHBondContact O-CG 3.44Å; A387-R391 PolarHBondContact O-N 3.37Å
388	A	94.3	Very high	96.3	Very high	62 Å²	62	59.5 Å²	59.5	51%	0.512	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-46.8	173.9	0	0	0	0	0	111.2	K384 L385 F386 A390 R391 A392	K384-A388 WeakPolarHBondContact O-CB 3.1Å; K384-A388 PolarHBondContact O-N 3.38Å; L385-A388 PolarHBondContact O-N 2.96Å; F386-A388 VanDerWaalsContact C-N 3.34Å; A388-A390 PolarHBondContact O-N 3.37Å; A388-R391 PolarHBondContact O-N 3.36Å; A388-A392 PolarHBondContact O-N 3.07Å
389	Y	93.8	Very high	96.2	Very high	54 Å²	54	59 Å²	59	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177	-177.1	-96.9	0	0	0	111.8	R52 L385 F386 R391 A392 L397 P414	R52-Y389 PolarHBondContact NH2-O 3.09Å; L385-Y389 WeakPolarHBondContact O-CB 3.38Å; L385-Y389 PolarHBondContact O-N 2.98Å; F386-Y389 PolarHBondContact O-N 3.37Å; Y389-R391 PolarHBondContact O-N 3.17Å; Y389-A392 WeakPolarHBondContact O-CB 3.42Å; Y389-A392 PolarHBondContact O-N 2.76Å; Y389-A392 VanDerWaalsContact O-N 3.16Å; Y389-L397 HydrophobicContact CD2-CD2 4.1Å; Y389-L397 HydrophobicContact CE2-CD2 3.64Å; Y389-P414 HydrophobicContact CD1-CG 4.05Å; Y389-P414 HydrophobicContact CD2-CG 3.75Å; Y389-P414 HydrophobicContact CE1-CG 4.11Å; Y389-P414 HydrophobicContact CE2-CG 3.8Å; Y389-P414 HydrophobicContact CG-CG 3.87Å
390	A	91.5	Very high	96.1	Very high	60 Å²	60	60 Å²	60	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-26.6	178.6	0	0	0	0	0	113.4	F386 A388	F386-A390 WeakPolarHBondContact O-CB 3.42Å; F386-A390 PolarHBondContact O-N 2.93Å; A388-A390 PolarHBondContact O-N 3.37Å
391	R	92.8	Very high	96.1	Very high	211 Å²	211	57.3 Å²	57.3	80%	0.796	30%	0.297	S	S	*	.	H	α-helix	trans	-97.4	-6.1	179.1	-67.7	175.4	-177	-177.7	1.2	114.1	A387 A388 Y389 D393	A387-R391 VanDerWaalsContact O-CG 3.28Å; A387-R391 WeakPolarHBondContact O-CG 3.44Å; A387-R391 PolarHBondContact O-N 3.37Å; A388-R391 PolarHBondContact O-N 3.36Å; Y389-R391 PolarHBondContact O-N 3.17Å; R391-D393 PolarHBondContact O-N 2.91Å
392	A	95.6	Very high	96.1	Very high	12 Å²	12	54.9 Å²	54.9	10%	0.099	29%	0.286	C	S	.	.			trans	-70.2	125.4	179.8	0	0	0	0	0	109.9	R52 A388 Y389 I396 L397	R52-A392 VanDerWaalsContact CD-O 3.31Å; R52-A392 WeakPolarHBondContact CD-O 3.37Å; R52-A392 PolarHBondContact NE-O 3.33Å; A388-A392 PolarHBondContact O-N 3.07Å; Y389-A392 WeakPolarHBondContact O-CB 3.42Å; Y389-A392 PolarHBondContact O-N 2.76Å; Y389-A392 VanDerWaalsContact O-N 3.16Å; A392-I396 HydrophobicContact CB-CB 4.28Å; A392-I396 HydrophobicContact CB-CG2 4.15Å; A392-L397 HydrophobicContact CB-CD2 4.19Å; A392-L397 HydrophobicContact CB-CG 4.48Å
393	D	96.4	Very high	96	Very high	54 Å²	54	60.8 Å²	60.8	29%	0.289	31%	0.308	S	S	.	.			trans	-64	157.6	174	-64.9	-19.9	0	0	0	110.8	D55 R109 R391 D395 I396 L397	D55-D393 WeakPolarHBondContact OD2-CA 3.2Å; R109-D393 IonicContact CZ-OD2 3.65Å; R109-D393 IonicContact NH1-OD2 3.89Å; R109-D393 PolarHBondContact NH1-OD2 2.7Å; R109-D393 IonicContact NH2-OD2 2.99Å; R109-D393 PolarHBondContact NH2-OD2 3.22Å; R391-D393 PolarHBondContact O-N 2.91Å; D393-D395 WeakPolarHBondContact CB-OD1 3.4Å; D393-D395 PolarHBondContact O-N 2.8Å; D393-I396 WeakPolarHBondContact O-CB 3.32Å; D393-I396 PolarHBondContact O-N 3.06Å; D393-L397 PolarHBondContact O-N 3.45Å
394	T	97.8	Very high	96	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-30.5	179.8	49.3	0	0	0	0	114.4	T49 D55 R56 V223 L397 M398	T49-T394 HydrophobicContact CG2-CG2 4.34Å; D55-T394 HydrophobicContact CB-CG2 3.59Å; D55-T394 PolarHBondContact OD2-N 3.28Å; R56-T394 WeakPolarHBondContact O-CB 3.38Å; R56-T394 PolarHBondContact O-OG1 3.44Å; V223-T394 HydrophobicContact CG1-CG2 4.1Å; T394-L397 PolarHBondContact O-N 3.23Å; T394-M398 WeakPolarHBondContact O-CB 3.36Å; T394-M398 PolarHBondContact O-N 2.78Å
395	D	96.8	Very high	95.9	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-33.2	175.1	64.4	-61.3	0	0	0	112.8	E58 R109 D393 G399	E58-D395 HydrophobicContact CG-CB 4.3Å; R109-D395 IonicContact CZ-OD1 2.67Å; R109-D395 IonicContact CZ-OD2 2.76Å; R109-D395 IonicContact NE-OD1 2.69Å; R109-D395 IonicContact NE-OD2 3.42Å; R109-D395 PolarHBondContact NE-OD2 3.11Å; R109-D395 VanDerWaalsContact NE-OD2 3.15Å; R109-D395 IonicContact NH2-OD1 3.65Å; R109-D395 PolarHBondContact NH2-OD1 2.85Å; R109-D395 IonicContact NH2-OD2 3.73Å; D393-D395 WeakPolarHBondContact CB-OD1 3.4Å; D393-D395 PolarHBondContact O-N 2.8Å; D395-G399 PolarHBondContact O-N 2.85Å
396	I	96.7	Very high	95.8	Very high	73 Å²	73	54.5 Å²	54.5	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-67.5	-45.1	174.8	-61.4	176.8	0	0	0	109.7	A392 D393 G399 Q400	A392-I396 HydrophobicContact CB-CB 4.28Å; A392-I396 HydrophobicContact CB-CG2 4.15Å; D393-I396 WeakPolarHBondContact O-CB 3.32Å; D393-I396 PolarHBondContact O-N 3.06Å; I396-G399 PolarHBondContact O-N 3.32Å; I396-Q400 WeakPolarHBondContact O-CG 3.37Å; I396-Q400 PolarHBondContact O-N 3.39Å
397	L	97.4	Very high	95.8	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-44.8	177.6	-60.9	176.8	0	0	0	111.4	L47 T49 V223 Y389 A392 D393 T394 G399 Q400 R401	L47-L397 HydrophobicContact CD2-CB 4.2Å; L47-L397 HydrophobicContact CD2-CD1 3.99Å; T49-L397 HydrophobicContact CG2-CD1 4.08Å; V223-L397 HydrophobicContact CG1-CB 4.25Å; Y389-L397 HydrophobicContact CD2-CD2 4.1Å; Y389-L397 HydrophobicContact CE2-CD2 3.64Å; A392-L397 HydrophobicContact CB-CD2 4.19Å; A392-L397 HydrophobicContact CB-CG 4.48Å; D393-L397 PolarHBondContact O-N 3.45Å; T394-L397 PolarHBondContact O-N 3.23Å; L397-G399 PolarHBondContact O-N 2.98Å; L397-Q400 PolarHBondContact O-N 3.28Å; L397-R401 PolarHBondContact O-N 3.2Å
398	M	98.1	Very high	95.8	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-48.5	172.8	-179.9	63	81.6	0	0	110.8	E58 R60 L221 V223 T394 Q400 R401 M402	E58-M398 HydrophobicContact CB-CB 4.15Å; E58-M398 HydrophobicContact CB-CE 3.74Å; E58-M398 HydrophobicContact CB-CG 4.27Å; E58-M398 WeakPolarHBondContact O-CE 3.33Å; R60-M398 HydrophobicContact CB-CE 4.31Å; R60-M398 HydrophobicContact CB-SD 4.09Å; R60-M398 HydrophobicContact CG-CE 3.85Å; R60-M398 HydrophobicContact CG-CG 3.73Å; R60-M398 HydrophobicContact CG-SD 3.53Å; R60-M398 VanDerWaalsContact CG-SD 3.53Å; L221-M398 HydrophobicContact CB-CE 3.81Å; L221-M398 HydrophobicContact CB-SD 3.75Å; L221-M398 HydrophobicContact CD2-SD 4.02Å; V223-M398 HydrophobicContact CB-CE 4Å; V223-M398 HydrophobicContact CG2-CB 4.23Å; V223-M398 HydrophobicContact CG2-CE 3.5Å; V223-M398 VanDerWaalsContact CG2-CE 3.5Å; V223-M398 HydrophobicContact CG2-SD 4.08Å; T394-M398 WeakPolarHBondContact O-CB 3.36Å; T394-M398 PolarHBondContact O-N 2.78Å; M398-Q400 PolarHBondContact O-N 3.04Å; M398-R401 PolarHBondContact O-N 2.95Å; M398-M402 HydrophobicContact CG-CG 4.35Å; M398-M402 WeakPolarHBondContact O-CB 3.4Å; M398-M402 WeakPolarHBondContact O-CG 3.47Å; M398-M402 PolarHBondContact O-N 3.44Å; M398-M402 HydrophobicContact SD-CG 4.25Å
399	G	97.1	Very high	95.9	Very high	21 Å²	21	53 Å²	53	22%	0.216	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-37.7	179.4	0	0	0	0	0	113.7	D395 I396 L397 R403	D395-G399 PolarHBondContact O-N 2.85Å; I396-G399 PolarHBondContact O-N 3.32Å; L397-G399 PolarHBondContact O-N 2.98Å; G399-R403 WeakPolarHBondContact O-CG 3.47Å; G399-R403 PolarHBondContact O-N 3.25Å; G399-R403 VanDerWaalsContact O-N 3.08Å; G399-R403 PolarHBondContact O-NH1 3.46Å
400	Q	96.2	Very high	96	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-48.5	173.6	-75.7	171.8	-13.8	0	0	111.1	I396 L397 M398 M402 R403 S404	I396-Q400 WeakPolarHBondContact O-CG 3.37Å; I396-Q400 PolarHBondContact O-N 3.39Å; L397-Q400 PolarHBondContact O-N 3.28Å; M398-Q400 PolarHBondContact O-N 3.04Å; Q400-M402 PolarHBondContact O-N 2.87Å; Q400-R403 VanDerWaalsContact CG-NH2 3.35Å; Q400-R403 PolarHBondContact O-N 3.33Å; Q400-S404 PolarHBondContact O-N 2.78Å
401	R	97.5	Very high	96.2	Very high	13 Å²	13	51.2 Å²	51.2	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-44.9	178.3	-174.5	62.2	174.5	-175	-2	112.3	W33 L221 L397 M398 R403 S404 L405 D411	W33-R401 HydrophobicContact CD2-CG 4.4Å; W33-R401 HydrophobicContact CE3-CG 4.34Å; W33-R401 HydrophobicContact CH2-CB 3.57Å; W33-R401 HydrophobicContact CH2-CG 3.5Å; W33-R401 HydrophobicContact CZ2-CB 3.45Å; W33-R401 VanDerWaalsContact CZ2-CB 3.45Å; W33-R401 HydrophobicContact CZ2-CG 3.6Å; W33-R401 HydrophobicContact CZ3-CB 4.46Å; W33-R401 HydrophobicContact CZ3-CG 3.91Å; L221-R401 HydrophobicContact CD2-CB 4.35Å; L221-R401 HydrophobicContact CD2-CG 3.62Å; L397-R401 PolarHBondContact O-N 3.2Å; M398-R401 PolarHBondContact O-N 2.95Å; R401-R403 VanDerWaalsContact C-N 3.33Å; R401-R403 PolarHBondContact O-N 3.32Å; R401-S404 WeakPolarHBondContact O-CB 3.29Å; R401-S404 PolarHBondContact O-N 2.95Å; R401-S404 VanDerWaalsContact O-N 3.15Å; R401-L405 HydrophobicContact CG-CD1 4.45Å; R401-L405 WeakPolarHBondContact O-CG 3.42Å; R401-L405 PolarHBondContact O-N 2.93Å; R401-D411 IonicContact NH1-OD2 2.71Å
402	M	97	Very high	96.3	Very high	33 Å²	33	42.1 Å²	42.1	16%	0.163	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-44.6	176.9	-72.4	-65.6	-62.2	0	0	112	R60 L62 L122 L221 M398 Q400 L405 Q406	R60-M402 HydrophobicContact CB-SD 4.35Å; L62-M402 HydrophobicContact CD1-CE 3.81Å; L62-M402 HydrophobicContact CD1-SD 3.69Å; L62-M402 HydrophobicContact CD2-CE 3.66Å; L62-M402 HydrophobicContact CD2-SD 4.28Å; L62-M402 HydrophobicContact CG-CE 3.87Å; L62-M402 HydrophobicContact CG-SD 4.39Å; L122-M402 HydrophobicContact CD1-CE 3.89Å; L122-M402 HydrophobicContact CD2-CE 4.19Å; L221-M402 HydrophobicContact CD1-SD 4.09Å; L221-M402 HydrophobicContact CD2-SD 4.2Å; M398-M402 HydrophobicContact CG-CG 4.35Å; M398-M402 WeakPolarHBondContact O-CB 3.4Å; M398-M402 WeakPolarHBondContact O-CG 3.47Å; M398-M402 PolarHBondContact O-N 3.44Å; M398-M402 HydrophobicContact SD-CG 4.25Å; Q400-M402 PolarHBondContact O-N 2.87Å; M402-L405 PolarHBondContact O-N 3.43Å; M402-Q406 WeakPolarHBondContact O-CB 3.5Å; M402-Q406 PolarHBondContact O-N 2.68Å
403	R	95.6	Very high	96.3	Very high	132 Å²	132	42 Å²	42	50%	0.498	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-39.7	175.5	-74.2	-172.2	-61.7	-87	2.7	112.3	G399 Q400 R401 Q406 N407	G399-R403 WeakPolarHBondContact O-CG 3.47Å; G399-R403 PolarHBondContact O-N 3.25Å; G399-R403 VanDerWaalsContact O-N 3.08Å; G399-R403 PolarHBondContact O-NH1 3.46Å; Q400-R403 VanDerWaalsContact CG-NH2 3.35Å; Q400-R403 PolarHBondContact O-N 3.33Å; R401-R403 VanDerWaalsContact C-N 3.33Å; R401-R403 PolarHBondContact O-N 3.32Å; R403-Q406 PolarHBondContact O-N 3.23Å; R403-N407 VanDerWaalsContact O-CB 3.24Å; R403-N407 WeakPolarHBondContact O-CB 3.3Å; R403-N407 VanDerWaalsContact O-CG 3.23Å; R403-N407 PolarHBondContact O-N 3.02Å; R403-N407 PolarHBondContact O-ND2 2.79Å
404	S	96.6	Very high	96.3	Very high	13 Å²	13	40.1 Å²	40.1	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-46	175	149.8	0	0	0	0	111.4	Q400 R401 N407 Q408 V409	Q400-S404 PolarHBondContact O-N 2.78Å; R401-S404 WeakPolarHBondContact O-CB 3.29Å; R401-S404 PolarHBondContact O-N 2.95Å; R401-S404 VanDerWaalsContact O-N 3.15Å; S404-N407 PolarHBondContact O-N 2.88Å; S404-Q408 PolarHBondContact O-N 2.74Å; S404-V409 PolarHBondContact O-N 3.35Å; S404-V409 PolarHBondContact OG-O 3.1Å
405	L	95.5	Very high	96.2	Very high	58 Å²	58	45.4 Å²	45.4	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-48.9	177	-66.8	176.5	0	0	0	111.7	L221 R401 M402 N407 Q408	L221-L405 HydrophobicContact CD1-CD1 4.26Å; L221-L405 HydrophobicContact CD2-CD1 3.91Å; R401-L405 HydrophobicContact CG-CD1 4.45Å; R401-L405 WeakPolarHBondContact O-CG 3.42Å; R401-L405 PolarHBondContact O-N 2.93Å; M402-L405 PolarHBondContact O-N 3.43Å; L405-N407 VanDerWaalsContact C-N 3.3Å; L405-N407 PolarHBondContact O-N 2.98Å; L405-Q408 PolarHBondContact O-N 3.3Å
406	Q	94.4	Very high	96.1	Very high	94 Å²	94	45.9 Å²	45.9	44%	0.439	23%	0.229	S	C	.	.	H	α-helix	trans	-59.4	-41.1	179.2	-174.9	178.4	7.5	0	0	112	M402 R403 Q408	M402-Q406 WeakPolarHBondContact O-CB 3.5Å; M402-Q406 PolarHBondContact O-N 2.68Å; R403-Q406 PolarHBondContact O-N 3.23Å; Q406-Q408 VanDerWaalsContact C-N 3.34Å
407	N	95.3	Very high	96.1	Very high	29 Å²	29	46.1 Å²	46.1	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.6	-177.1	-61.5	-17.8	0	0	0	113	W283 V329 R403 S404 L405 V409	W283-N407 HydrophobicContact CZ2-CB 4.11Å; W283-N407 PolarHBondContact NE1-O 3.32Å; V329-N407 WeakPolarHBondContact CB-OD1 3.4Å; V329-N407 HydrophobicContact CG1-CB 4.45Å; V329-N407 WeakPolarHBondContact CG1-OD1 3.48Å; R403-N407 VanDerWaalsContact O-CB 3.24Å; R403-N407 WeakPolarHBondContact O-CB 3.3Å; R403-N407 VanDerWaalsContact O-CG 3.23Å; R403-N407 PolarHBondContact O-N 3.02Å; R403-N407 PolarHBondContact O-ND2 2.79Å; S404-N407 PolarHBondContact O-N 2.88Å; L405-N407 VanDerWaalsContact C-N 3.3Å; L405-N407 PolarHBondContact O-N 2.98Å; N407-V409 HydrophobicContact CB-CG2 3.99Å; N407-V409 PolarHBondContact O-N 2.93Å
408	Q	94.8	Very high	96.2	Very high	91 Å²	91	49 Å²	49	43%	0.425	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.1	-177.2	-52.4	179.4	35.6	0	0	112.8	P285 I286 S404 L405 Q406	P285-Q408 WeakPolarHBondContact CA-O 3.34Å; P285-Q408 HydrophobicContact CB-CB 3.81Å; P285-Q408 WeakPolarHBondContact CB-O 3.42Å; P285-Q408 HydrophobicContact CG-CB 3.96Å; P285-Q408 VanDerWaalsContact CG-OE1 3.31Å; I286-Q408 PolarHBondContact N-O 3.19Å; S404-Q408 PolarHBondContact O-N 2.74Å; L405-Q408 PolarHBondContact O-N 3.3Å; Q406-Q408 VanDerWaalsContact C-N 3.34Å
409	V	97.1	Very high	96.1	Very high	35 Å²	35	55.7 Å²	55.7	21%	0.212	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-99.9	128.3	174.4	177.9	0	0	0	0	107.9	W283 I286 S404 N407 D411	W283-V409 HydrophobicContact CH2-CG2 4.27Å; W283-V409 HydrophobicContact CZ2-CG2 3.54Å; I286-V409 HydrophobicContact CB-CG1 4.16Å; I286-V409 HydrophobicContact CB-CG2 4.19Å; I286-V409 HydrophobicContact CD1-CG2 4.24Å; I286-V409 HydrophobicContact CG1-CG2 4.35Å; S404-V409 PolarHBondContact O-N 3.35Å; S404-V409 PolarHBondContact OG-O 3.1Å; N407-V409 HydrophobicContact CB-CG2 3.99Å; N407-V409 PolarHBondContact O-N 2.93Å; V409-D411 PolarHBondContact O-N 2.98Å; V409-D411 VanDerWaalsContact O-N 3.08Å
410	V	96.5	Very high	96.1	Very high	37 Å²	37	56.1 Å²	56.1	22%	0.224	27%	0.266	C	S	.	.			trans	-64.3	113.2	170.4	176.4	0	0	0	0	108.3	L27 P29 I286 R287 I412	L27-V410 HydrophobicContact CB-CB 3.89Å; L27-V410 HydrophobicContact CB-CG1 3.74Å; L27-V410 HydrophobicContact CD1-CB 4.19Å; P29-V410 HydrophobicContact CB-CG1 4.35Å; P29-V410 HydrophobicContact CG-CG1 4.02Å; I286-V410 PolarHBondContact O-N 3.5Å; R287-V410 HydrophobicContact CB-CG2 4.34Å; R287-V410 HydrophobicContact CG-CG2 4.31Å; V410-I412 HydrophobicContact CG1-CG2 4.29Å
411	D	94.3	Very high	96.2	Very high	39 Å²	39	53 Å²	53	21%	0.209	25%	0.25	C	S	.	.			trans	-68.8	130.6	172.5	-155.2	6.4	0	0	0	109.5	P29 D30 R401 V409	P29-D411 CarbonylContact C-O 3.52Å; P29-D411 WeakPolarHBondContact CA-O 3.41Å; D30-D411 PolarHBondContact N-O 3.32Å; R401-D411 IonicContact NH1-OD2 2.71Å; V409-D411 PolarHBondContact O-N 2.98Å; V409-D411 VanDerWaalsContact O-N 3.08Å
412	I	95.8	Very high	96.2	Very high	20 Å²	20	55 Å²	55	10%	0.103	26%	0.26	C	S	.	.			trans	-120.4	148.9	-174	59.9	174.3	0	0	0	110.6	L27 L292 V410 Q416 Y417 L420	L27-I412 HydrophobicContact CB-CG2 3.94Å; L27-I412 HydrophobicContact CD1-CG2 4.39Å; L27-I412 HydrophobicContact CD2-CG2 4.23Å; L27-I412 HydrophobicContact CG-CG2 4.41Å; L292-I412 HydrophobicContact CD2-CD1 4.01Å; V410-I412 HydrophobicContact CG1-CG2 4.29Å; I412-Q416 HydrophobicContact CB-CB 4.36Å; I412-Q416 HydrophobicContact CB-CG 4.42Å; I412-Q416 HydrophobicContact CD1-CG 4.32Å; I412-Y417 HydrophobicContact CD1-CD2 4.32Å; I412-L420 HydrophobicContact CD1-CD1 4.13Å
413	A	95.2	Very high	96.2	Very high	10 Å²	10	57.5 Å²	57.5	8%	0.083	27%	0.274	C	S	.	.			trans	-60.5	149.6	179	0	0	0	0	0	111.7	D30 E415 Q416 Y417	D30-A413 HydrophobicContact CB-CB 4.37Å; A413-E415 PolarHBondContact O-N 3.2Å; A413-E415 VanDerWaalsContact O-N 3.11Å; A413-Q416 PolarHBondContact O-N 3.19Å; A413-Y417 PolarHBondContact O-N 2.64Å
414	P	95.6	Very high	96.3	Very high	14 Å²	14	51.6 Å²	51.6	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-52.1	-34.9	177.8	-28.5	36.2	0	0	0	114.1	L385 F386 Y389 Q418	L385-P414 HydrophobicContact CD2-CB 4.32Å; L385-P414 WeakPolarHBondContact CD2-O 3.38Å; F386-P414 HydrophobicContact CD1-CB 4.11Å; F386-P414 HydrophobicContact CE1-CB 3.67Å; F386-P414 HydrophobicContact CZ-CB 4.35Å; Y389-P414 HydrophobicContact CD1-CG 4.05Å; Y389-P414 HydrophobicContact CD2-CG 3.75Å; Y389-P414 HydrophobicContact CE1-CG 4.11Å; Y389-P414 HydrophobicContact CE2-CG 3.8Å; Y389-P414 HydrophobicContact CG-CG 3.87Å; P414-Q418 VanDerWaalsContact O-CB 3.25Å; P414-Q418 WeakPolarHBondContact O-CB 3.38Å; P414-Q418 PolarHBondContact O-N 2.9Å
415	E	96.1	Very high	96.3	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-44.8	176.4	-62.7	73.5	-167.4	0	0	111.9	F386 A413 Q418 K419	F386-E415 HydrophobicContact CE1-CG 4.1Å; F386-E415 WeakPolarHBondContact CE1-OE1 3.49Å; F386-E415 HydrophobicContact CZ-CB 4.47Å; F386-E415 HydrophobicContact CZ-CG 3.91Å; A413-E415 PolarHBondContact O-N 3.2Å; A413-E415 VanDerWaalsContact O-N 3.11Å; E415-Q418 PolarHBondContact O-N 3.32Å; E415-K419 WeakPolarHBondContact O-CB 3.35Å; E415-K419 PolarHBondContact O-N 2.65Å
416	Q	96.1	Very high	96.4	Very high	50 Å²	50	52.8 Å²	52.8	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-43.8	177.5	-175.3	174.7	28.4	0	0	110.7	Q28 I412 A413 Q418 K419 L420	Q28-Q416 PolarHBondContact O-OE1 3.35Å; I412-Q416 HydrophobicContact CB-CB 4.36Å; I412-Q416 HydrophobicContact CB-CG 4.42Å; I412-Q416 HydrophobicContact CD1-CG 4.32Å; A413-Q416 PolarHBondContact O-N 3.19Å; Q416-Q418 VanDerWaalsContact C-N 3.31Å; Q416-Q418 PolarHBondContact O-N 2.81Å; Q416-K419 PolarHBondContact O-N 2.91Å; Q416-L420 HydrophobicContact CG-CD1 3.87Å; Q416-L420 HydrophobicContact CG-CG 4.35Å; Q416-L420 WeakPolarHBondContact O-CB 3.31Å; Q416-L420 WeakPolarHBondContact O-CG 3.44Å; Q416-L420 PolarHBondContact O-N 3.2Å
417	Y	96.8	Very high	96.5	Very high	77 Å²	77	51.9 Å²	51.9	30%	0.302	26%	0.262	S	S	.	.	H	α-helix	trans	-56.4	-48.4	173.4	178.3	-85.8	0	0	0	110.5	W296 L382 L385 I412 A413 K419 L420 R421	W296-Y417 HydrophobicContact CH2-CD2 4.29Å; W296-Y417 HydrophobicContact CH2-CE2 4.28Å; W296-Y417 AromaticContact CZ2-CD2 3.73Å; W296-Y417 HydrophobicContact CZ2-CD2 3.73Å; W296-Y417 AromaticContact CZ2-CE2 3.47Å; W296-Y417 HydrophobicContact CZ2-CE2 3.47Å; W296-Y417 VanDerWaalsContact CZ2-CE2 3.47Å; L382-Y417 HydrophobicContact CD1-CD1 4.15Å; L382-Y417 HydrophobicContact CD1-CE1 3.82Å; L385-Y417 HydrophobicContact CD1-CD1 4.07Å; L385-Y417 HydrophobicContact CD1-CE1 4.17Å; L385-Y417 HydrophobicContact CD2-CD1 3.63Å; L385-Y417 HydrophobicContact CD2-CE1 4.3Å; I412-Y417 HydrophobicContact CD1-CD2 4.32Å; A413-Y417 PolarHBondContact O-N 2.64Å; Y417-K419 PolarHBondContact O-N 2.85Å; Y417-L420 PolarHBondContact O-N 3.31Å; Y417-R421 HydrophobicContact CD1-CB 4.33Å; Y417-R421 HydrophobicContact CE1-CB 4.05Å; Y417-R421 HydrophobicContact CE1-CG 4.11Å; Y417-R421 WeakPolarHBondContact O-CB 3.24Å; Y417-R421 PolarHBondContact O-N 3.32Å
418	Q	97.6	Very high	96.6	Very high	65 Å²	65	51.2 Å²	51.2	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-58.8	-50.1	-179.3	-168.8	-169.3	41.4	0	0	111.4	L382 L385 F386 P414 E415 Q416 R421 Q422	L382-Q418 HydrophobicContact CD1-CG 4.15Å; L382-Q418 HydrophobicContact CD2-CG 4.47Å; L382-Q418 HydrophobicContact CG-CG 4.15Å; L385-Q418 HydrophobicContact CD2-CB 3.87Å; L385-Q418 HydrophobicContact CD2-CG 4.45Å; F386-Q418 HydrophobicContact CE2-CB 4.49Å; P414-Q418 VanDerWaalsContact O-CB 3.25Å; P414-Q418 WeakPolarHBondContact O-CB 3.38Å; P414-Q418 PolarHBondContact O-N 2.9Å; E415-Q418 PolarHBondContact O-N 3.32Å; Q416-Q418 VanDerWaalsContact C-N 3.31Å; Q416-Q418 PolarHBondContact O-N 2.81Å; Q418-R421 PolarHBondContact O-N 2.86Å; Q418-Q422 WeakPolarHBondContact O-CB 3.38Å; Q418-Q422 PolarHBondContact O-N 3.18Å
419	K	96.6	Very high	96.7	Very high	143 Å²	143	49.5 Å²	49.5	62%	0.622	25%	0.254	S	S	*	.	H	α-helix	trans	-57.9	-55.6	179.5	-179.4	177.7	178.2	177.8	0	111.3	E415 Q416 Y417 R421 Q422 D423	E415-K419 WeakPolarHBondContact O-CB 3.35Å; E415-K419 PolarHBondContact O-N 2.65Å; Q416-K419 PolarHBondContact O-N 2.91Å; Y417-K419 PolarHBondContact O-N 2.85Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 3.41Å; K419-Q422 PolarHBondContact O-N 2.8Å; K419-D423 VanDerWaalsContact O-CG 3.29Å; K419-D423 PolarHBondContact O-N 3.31Å
420	L	97	Very high	96.8	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.162	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-42.1	-178.8	-69.8	174.1	0	0	0	111.6	L27 L292 W296 I412 Q416 Y417 F424	L27-L420 HydrophobicContact CD2-CD1 3.87Å; L292-L420 HydrophobicContact CD2-CD1 4.01Å; W296-L420 HydrophobicContact CH2-CB 3.83Å; W296-L420 HydrophobicContact CZ3-CB 3.91Å; I412-L420 HydrophobicContact CD1-CD1 4.13Å; Q416-L420 HydrophobicContact CG-CD1 3.87Å; Q416-L420 HydrophobicContact CG-CG 4.35Å; Q416-L420 WeakPolarHBondContact O-CB 3.31Å; Q416-L420 WeakPolarHBondContact O-CG 3.44Å; Q416-L420 PolarHBondContact O-N 3.2Å; Y417-L420 PolarHBondContact O-N 3.31Å; L420-F424 VanDerWaalsContact O-CB 3.25Å; L420-F424 WeakPolarHBondContact O-CB 3.42Å; L420-F424 PolarHBondContact O-N 2.75Å
421	R	98	Very high	96.8	Very high	15 Å²	15	52.3 Å²	52.3	6%	0.057	26%	0.264	C	S	.	.	H	α-helix	trans	-70.7	-35	-179.3	-169.4	65.5	176.6	177	-1.7	111.7	W296 L382 Y417 Q418 K419 L425	W296-R421 VanDerWaalsContact CB-NH1 3.27Å; W296-R421 VanDerWaalsContact CD2-NH1 3.34Å; W296-R421 HydrophobicContact CH2-CB 3.74Å; W296-R421 HydrophobicContact CH2-CG 4.45Å; W296-R421 HydrophobicContact CZ2-CB 4.45Å; W296-R421 VanDerWaalsContact CZ3-CA 3.45Å; W296-R421 HydrophobicContact CZ3-CB 3.9Å; W296-R421 HydrophobicContact CZ3-CG 4.47Å; L382-R421 HydrophobicContact CD1-CB 3.91Å; L382-R421 HydrophobicContact CD1-CG 3.9Å; L382-R421 HydrophobicContact CD2-CB 4.04Å; L382-R421 HydrophobicContact CD2-CG 4.04Å; Y417-R421 HydrophobicContact CD1-CB 4.33Å; Y417-R421 HydrophobicContact CE1-CB 4.05Å; Y417-R421 HydrophobicContact CE1-CG 4.11Å; Y417-R421 WeakPolarHBondContact O-CB 3.24Å; Y417-R421 PolarHBondContact O-N 3.32Å; Q418-R421 PolarHBondContact O-N 2.86Å; K419-R421 VanDerWaalsContact C-N 3.31Å; K419-R421 PolarHBondContact O-N 3.41Å; R421-L425 HydrophobicContact CG-CD1 4.25Å; R421-L425 WeakPolarHBondContact O-CB 3.2Å; R421-L425 VanDerWaalsContact O-CG 3.25Å; R421-L425 WeakPolarHBondContact O-CG 3.4Å; R421-L425 PolarHBondContact O-N 3.39Å
422	Q	98	Very high	96.9	Very high	56 Å²	56	53.2 Å²	53.2	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-46.3	175.1	-174.8	63	69.5	0	0	111.1	L382 Q418 K419 F424 L425 N426	L382-Q422 HydrophobicContact CD2-CB 3.9Å; Q418-Q422 WeakPolarHBondContact O-CB 3.38Å; Q418-Q422 PolarHBondContact O-N 3.18Å; K419-Q422 PolarHBondContact O-N 2.8Å; Q422-F424 VanDerWaalsContact C-N 3.33Å; Q422-F424 PolarHBondContact O-N 3.46Å; Q422-L425 PolarHBondContact O-N 2.82Å; Q422-N426 VanDerWaalsContact NE2-CG 3.32Å; Q422-N426 PolarHBondContact NE2-ND2 3.15Å; Q422-N426 VanDerWaalsContact NE2-ND2 3.11Å; Q422-N426 PolarHBondContact NE2-OD1 3.07Å; Q422-N426 VanDerWaalsContact O-CB 3.31Å; Q422-N426 WeakPolarHBondContact O-CB 3.37Å; Q422-N426 PolarHBondContact O-N 3.45Å; Q422-N426 PolarHBondContact O-ND2 2.78Å
423	D	96.9	Very high	97	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-42.4	177	-66.7	-19.6	0	0	0	110.8	K419 N426 S427	K419-D423 VanDerWaalsContact O-CG 3.29Å; K419-D423 PolarHBondContact O-N 3.31Å; D423-N426 PolarHBondContact O-N 2.77Å; D423-S427 WeakPolarHBondContact O-CB 3.45Å; D423-S427 PolarHBondContact O-N 3.27Å; D423-S427 PolarHBondContact O-OG 3.26Å
424	F	97.6	Very high	97.2	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-53	172.5	170.8	-107.5	0	0	0	112.3	L293 W296 R297 L300 L420 Q422 N426 S427 L428	L293-F424 HydrophobicContact CD2-CB 3.8Å; L293-F424 HydrophobicContact CD2-CD2 4.01Å; L293-F424 HydrophobicContact CD2-CG 4.22Å; W296-F424 HydrophobicContact CB-CD1 4.45Å; W296-F424 HydrophobicContact CB-CE1 4.12Å; W296-F424 HydrophobicContact CB-CE2 4.31Å; W296-F424 HydrophobicContact CB-CZ 4.04Å; W296-F424 HydrophobicContact CE3-CB 3.97Å; W296-F424 HydrophobicContact CE3-CD1 4.06Å; W296-F424 AromaticContact CE3-CG 3.91Å; W296-F424 HydrophobicContact CE3-CG 3.91Å; W296-F424 HydrophobicContact CZ3-CB 4.16Å; R297-F424 HydrophobicContact CG-CE2 3.54Å; R297-F424 HydrophobicContact CG-CZ 4.14Å; L300-F424 HydrophobicContact CD2-CE1 3.98Å; L300-F424 HydrophobicContact CD2-CZ 4.02Å; L420-F424 VanDerWaalsContact O-CB 3.25Å; L420-F424 WeakPolarHBondContact O-CB 3.42Å; L420-F424 PolarHBondContact O-N 2.75Å; Q422-F424 VanDerWaalsContact C-N 3.33Å; Q422-F424 PolarHBondContact O-N 3.46Å; F424-N426 VanDerWaalsContact C-N 3.27Å; F424-N426 PolarHBondContact O-N 3.42Å; F424-S427 PolarHBondContact O-N 3.38Å; F424-S427 PolarHBondContact O-OG 3.29Å; F424-S427 VanDerWaalsContact O-OG 3.14Å; F424-L428 HydrophobicContact CE2-CD1 4.42Å; F424-L428 HydrophobicContact CZ-CD1 4.44Å; F424-L428 PolarHBondContact O-N 2.76Å; F424-L428 VanDerWaalsContact O-N 3.14Å
425	L	98	Very high	97.2	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-69.5	-22.4	-178.5	-69.2	174.2	0	0	0	113.4	K378 K379 L382 R421 Q422	K378-L425 HydrophobicContact CB-CD1 3.96Å; K378-L425 HydrophobicContact CB-CD2 3.9Å; K379-L425 HydrophobicContact CG-CB 4.32Å; K379-L425 HydrophobicContact CG-CD1 3.97Å; L382-L425 HydrophobicContact CD2-CD1 4.22Å; R421-L425 HydrophobicContact CG-CD1 4.25Å; R421-L425 WeakPolarHBondContact O-CB 3.2Å; R421-L425 VanDerWaalsContact O-CG 3.25Å; R421-L425 WeakPolarHBondContact O-CG 3.4Å; R421-L425 PolarHBondContact O-N 3.39Å; Q422-L425 PolarHBondContact O-N 2.82Å
426	N	97.3	Very high	97.2	Very high	92 Å²	92	53.9 Å²	53.9	49%	0.492	27%	0.268	S	S	.	.	H	α-helix	trans	-85.3	-26.8	177.1	-74.1	-16	0	0	0	113.2	K379 Q422 D423 F424	K379-N426 WeakPolarHBondContact CE-OD1 3.25Å; K379-N426 PolarHBondContact NZ-OD1 3.06Å; Q422-N426 VanDerWaalsContact NE2-CG 3.32Å; Q422-N426 PolarHBondContact NE2-ND2 3.15Å; Q422-N426 VanDerWaalsContact NE2-ND2 3.11Å; Q422-N426 PolarHBondContact NE2-OD1 3.07Å; Q422-N426 VanDerWaalsContact O-CB 3.31Å; Q422-N426 WeakPolarHBondContact O-CB 3.37Å; Q422-N426 PolarHBondContact O-N 3.45Å; Q422-N426 PolarHBondContact O-ND2 2.78Å; D423-N426 PolarHBondContact O-N 2.77Å; F424-N426 VanDerWaalsContact C-N 3.27Å; F424-N426 PolarHBondContact O-N 3.42Å
427	S	96.3	Very high	97.3	Very high	76 Å²	76	51.5 Å²	51.5	53%	0.531	26%	0.258	S	S	.	.	H	α-helix	trans	-90.6	-14.3	178.3	55.7	0	0	0	0	113.6	D423 F424	D423-S427 WeakPolarHBondContact O-CB 3.45Å; D423-S427 PolarHBondContact O-N 3.27Å; D423-S427 PolarHBondContact O-OG 3.26Å; F424-S427 PolarHBondContact O-N 3.38Å; F424-S427 PolarHBondContact O-OG 3.29Å; F424-S427 VanDerWaalsContact O-OG 3.14Å
428	L	97.3	Very high	97.2	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.073	27%	0.266	C	S	.	.			trans	-68.9	132.1	-179.9	-168.8	71.3	0	0	0	111.4	L300 F371 V375 F424 M432	L300-L428 HydrophobicContact CD2-CD2 3.27Å; F371-L428 HydrophobicContact CE2-CD2 3.75Å; F371-L428 HydrophobicContact CE2-CG 3.92Å; F371-L428 HydrophobicContact CZ-CD2 4.2Å; F371-L428 HydrophobicContact CZ-CG 4.09Å; V375-L428 HydrophobicContact CG2-CD2 4.2Å; F424-L428 HydrophobicContact CE2-CD1 4.42Å; F424-L428 HydrophobicContact CZ-CD1 4.44Å; F424-L428 PolarHBondContact O-N 2.76Å; F424-L428 VanDerWaalsContact O-N 3.14Å; L428-M432 HydrophobicContact CD1-CB 4.38Å
429	T	97.6	Very high	97	Very high	55 Å²	55	56 Å²	56	34%	0.337	28%	0.276	S	S	.	.			trans	-115	162.5	170.2	83.7	0	0	0	0	111.3	F371 E431 M432 L433	F371-T429 VanDerWaalsContact CZ-C 3.44Å; T429-E431 VanDerWaalsContact C-N 3.26Å; T429-E431 WeakPolarHBondContact CB-OE2 3.2Å; T429-E431 PolarHBondContact O-N 3.44Å; T429-E431 PolarHBondContact OG1-N 2.73Å; T429-E431 PolarHBondContact OG1-OE2 3Å; T429-M432 HydrophobicContact CG2-SD 4.15Å; T429-M432 PolarHBondContact O-N 2.82Å; T429-M432 PolarHBondContact OG1-N 3.43Å; T429-L433 PolarHBondContact O-N 3.33Å
430	V	97.8	Very high	96.9	Very high	18 Å²	18	49.8 Å²	49.8	11%	0.109	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-34.1	176.6	65.8	0	0	0	0	111.5	F371 L433 N434	F371-V430 HydrophobicContact CB-CB 4.23Å; F371-V430 HydrophobicContact CB-CG2 3.88Å; F371-V430 HydrophobicContact CD1-CB 3.88Å; F371-V430 HydrophobicContact CD1-CG2 4.47Å; F371-V430 HydrophobicContact CD2-CB 4.21Å; F371-V430 HydrophobicContact CD2-CG2 4.42Å; F371-V430 HydrophobicContact CE1-CB 4.3Å; F371-V430 HydrophobicContact CG-CB 3.83Å; F371-V430 HydrophobicContact CG-CG2 4.01Å; V430-L433 PolarHBondContact O-N 2.93Å; V430-N434 VanDerWaalsContact O-CB 3.24Å; V430-N434 WeakPolarHBondContact O-CB 3.39Å; V430-N434 PolarHBondContact O-N 2.85Å; V430-N434 PolarHBondContact O-ND2 2.88Å
431	E	97.7	Very high	96.8	Very high	114 Å²	114	48.8 Å²	48.8	53%	0.533	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-44.7	176.1	-59.9	72.3	-156.9	0	0	111.5	T429 N434 Q435	T429-E431 VanDerWaalsContact C-N 3.26Å; T429-E431 WeakPolarHBondContact CB-OE2 3.2Å; T429-E431 PolarHBondContact O-N 3.44Å; T429-E431 PolarHBondContact OG1-N 2.73Å; T429-E431 PolarHBondContact OG1-OE2 3Å; E431-N434 PolarHBondContact O-N 3.44Å; E431-Q435 WeakPolarHBondContact O-CG 3.49Å; E431-Q435 PolarHBondContact O-N 2.93Å
432	M	96.6	Very high	96.5	Very high	58 Å²	58	52.1 Å²	52.1	29%	0.286	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-48.2	176.7	-68.5	171.9	62.4	0	0	110.8	L428 T429 N434 Q435 D436	L428-M432 HydrophobicContact CD1-CB 4.38Å; T429-M432 HydrophobicContact CG2-SD 4.15Å; T429-M432 PolarHBondContact O-N 2.82Å; T429-M432 PolarHBondContact OG1-N 3.43Å; M432-N434 VanDerWaalsContact C-N 3.31Å; M432-N434 PolarHBondContact O-N 3.47Å; M432-Q435 WeakPolarHBondContact O-CB 3.31Å; M432-Q435 PolarHBondContact O-N 3.38Å; M432-D436 PolarHBondContact O-N 3.47Å; M432-D436 VanDerWaalsContact O-N 3.1Å
433	L	97.6	Very high	96.1	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-41.6	177.5	-174.8	65.5	0	0	0	111.2	L300 A301 A304 L366 F371 L374 T429 V430 Q435 D436 L437	L300-L433 HydrophobicContact CG-CD1 4.39Å; A301-L433 HydrophobicContact CB-CD1 4.13Å; A304-L433 HydrophobicContact CB-CD2 4.11Å; L366-L433 HydrophobicContact CD2-CD2 3.82Å; F371-L433 HydrophobicContact CD2-CB 4.29Å; F371-L433 HydrophobicContact CD2-CD2 3.62Å; F371-L433 HydrophobicContact CE2-CB 4.19Å; F371-L433 HydrophobicContact CE2-CD2 4.09Å; L374-L433 HydrophobicContact CD2-CD2 4.47Å; T429-L433 PolarHBondContact O-N 3.33Å; V430-L433 PolarHBondContact O-N 2.93Å; L433-Q435 VanDerWaalsContact C-N 3.3Å; L433-Q435 PolarHBondContact O-N 2.86Å; L433-D436 PolarHBondContact O-N 3.45Å; L433-L437 HydrophobicContact CD1-CG 4.49Å; L433-L437 HydrophobicContact CD2-CD1 4.33Å; L433-L437 HydrophobicContact CG-CD1 3.89Å; L433-L437 HydrophobicContact CG-CG 4.18Å; L433-L437 WeakPolarHBondContact O-CB 3.35Å; L433-L437 WeakPolarHBondContact O-CG 3.26Å; L433-L437 PolarHBondContact O-N 3.01Å
434	N	98	Very high	95.8	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.102	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-32	178.2	-77.1	-22.2	0	0	0	113.2	G365 L366 V430 E431 M432 L437 R438	G365-N434 VanDerWaalsContact CA-OD1 3.25Å; G365-N434 WeakPolarHBondContact CA-OD1 3.38Å; L366-N434 PolarHBondContact N-OD1 3.39Å; V430-N434 VanDerWaalsContact O-CB 3.24Å; V430-N434 WeakPolarHBondContact O-CB 3.39Å; V430-N434 PolarHBondContact O-N 2.85Å; V430-N434 PolarHBondContact O-ND2 2.88Å; E431-N434 PolarHBondContact O-N 3.44Å; M432-N434 VanDerWaalsContact C-N 3.31Å; M432-N434 PolarHBondContact O-N 3.47Å; N434-L437 WeakPolarHBondContact OD1-CD1 3.41Å; N434-R438 VanDerWaalsContact O-CG 3.31Å; N434-R438 WeakPolarHBondContact O-CG 3.48Å; N434-R438 PolarHBondContact O-N 3.43Å; N434-R438 VanDerWaalsContact O-N 3.09Å
435	Q	96.5	Very high	95.6	Very high	127 Å²	127	54.8 Å²	54.8	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-47.7	170.5	-71.1	171.1	2.8	0	0	111.2	E431 M432 L433 L437 R438 Q439	E431-Q435 WeakPolarHBondContact O-CG 3.49Å; E431-Q435 PolarHBondContact O-N 2.93Å; M432-Q435 WeakPolarHBondContact O-CB 3.31Å; M432-Q435 PolarHBondContact O-N 3.38Å; L433-Q435 VanDerWaalsContact C-N 3.3Å; L433-Q435 PolarHBondContact O-N 2.86Å; Q435-L437 VanDerWaalsContact C-N 3.34Å; Q435-L437 PolarHBondContact O-N 2.9Å; Q435-R438 PolarHBondContact O-N 3.22Å; Q435-Q439 PolarHBondContact O-N 2.87Å
436	D	95.9	Very high	95.6	Very high	23 Å²	23	54.8 Å²	54.8	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-40.1	177.9	-71.9	-44.5	0	0	0	111.6	R297 A301 M432 L433 Q439 Q440	R297-D436 WeakPolarHBondContact CB-OD2 3.11Å; A301-D436 HydrophobicContact CB-CB 3.87Å; M432-D436 PolarHBondContact O-N 3.47Å; M432-D436 VanDerWaalsContact O-N 3.1Å; L433-D436 PolarHBondContact O-N 3.45Å; D436-Q439 WeakPolarHBondContact O-CB 3.21Å; D436-Q439 PolarHBondContact O-N 3.25Å; D436-Q440 WeakPolarHBondContact O-CG 3.34Å; D436-Q440 PolarHBondContact O-N 3.45Å
437	L	97.4	Very high	95.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-45.9	175.9	-74.3	168.2	0	0	0	111.8	A301 A304 L305 V361 L366 L433 N434 Q435 Q439 Q440 L441	A301-L437 HydrophobicContact CB-CD2 4.18Å; A301-L437 HydrophobicContact CB-CG 4.41Å; A301-L437 WeakPolarHBondContact O-CD2 3.37Å; A304-L437 HydrophobicContact CB-CD2 4.17Å; L305-L437 HydrophobicContact CD1-CD2 4.45Å; L305-L437 HydrophobicContact CD2-CD2 3.52Å; L305-L437 HydrophobicContact CG-CD2 3.59Å; V361-L437 HydrophobicContact CG1-CB 4.28Å; V361-L437 HydrophobicContact CG1-CD1 3.84Å; V361-L437 HydrophobicContact CG1-CD2 4.18Å; V361-L437 HydrophobicContact CG1-CG 4.35Å; L366-L437 HydrophobicContact CB-CD1 3.98Å; L433-L437 HydrophobicContact CD1-CG 4.49Å; L433-L437 HydrophobicContact CD2-CD1 4.33Å; L433-L437 HydrophobicContact CG-CD1 3.89Å; L433-L437 HydrophobicContact CG-CG 4.18Å; L433-L437 WeakPolarHBondContact O-CB 3.35Å; L433-L437 WeakPolarHBondContact O-CG 3.26Å; L433-L437 PolarHBondContact O-N 3.01Å; N434-L437 WeakPolarHBondContact OD1-CD1 3.41Å; Q435-L437 VanDerWaalsContact C-N 3.34Å; Q435-L437 PolarHBondContact O-N 2.9Å; L437-Q439 VanDerWaalsContact C-N 3.3Å; L437-Q439 PolarHBondContact O-N 3.23Å; L437-Q440 PolarHBondContact O-N 3.11Å; L437-L441 WeakPolarHBondContact O-CB 3.47Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 3.36Å
438	R	95.1	Very high	95.7	Very high	125 Å²	125	46.9 Å²	46.9	47%	0.472	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-42	174.4	-74.5	174.8	-169.9	147.3	4.1	111.3	N434 Q435 L441 S442	N434-R438 VanDerWaalsContact O-CG 3.31Å; N434-R438 WeakPolarHBondContact O-CG 3.48Å; N434-R438 PolarHBondContact O-N 3.43Å; N434-R438 VanDerWaalsContact O-N 3.09Å; Q435-R438 PolarHBondContact O-N 3.22Å; R438-L441 PolarHBondContact O-N 2.94Å; R438-S442 WeakPolarHBondContact O-CB 3.4Å; R438-S442 PolarHBondContact O-N 3.36Å; R438-S442 PolarHBondContact O-OG 3.29Å
439	Q	93.1	Very high	95.7	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-45.4	176.7	-171.6	-179.3	8.1	0	0	111.7	Q435 D436 L437 L441 S442 N443	Q435-Q439 PolarHBondContact O-N 2.87Å; D436-Q439 WeakPolarHBondContact O-CB 3.21Å; D436-Q439 PolarHBondContact O-N 3.25Å; L437-Q439 VanDerWaalsContact C-N 3.3Å; L437-Q439 PolarHBondContact O-N 3.23Å; Q439-L441 VanDerWaalsContact C-N 3.31Å; Q439-L441 PolarHBondContact O-N 3.43Å; Q439-S442 WeakPolarHBondContact CA-OG 3.33Å; Q439-S442 PolarHBondContact O-N 3.28Å; Q439-S442 PolarHBondContact O-OG 3.42Å; Q439-N443 VanDerWaalsContact O-CG 3.28Å; Q439-N443 PolarHBondContact O-N 3.42Å; Q439-N443 PolarHBondContact O-ND2 3.48Å; Q439-N443 PolarHBondContact O-OD1 3.36Å
440	Q	94.6	Very high	95.7	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-40.9	176.8	-66.1	-52.9	-60.2	0	0	111.7	W279 A301 R302 L305 D436 L437 N443	W279-Q440 PolarHBondContact NE1-O 2.95Å; A301-Q440 HydrophobicContact CB-CG 3.9Å; R302-Q440 HydrophobicContact CG-CG 4.14Å; L305-Q440 HydrophobicContact CD1-CB 4.31Å; D436-Q440 WeakPolarHBondContact O-CG 3.34Å; D436-Q440 PolarHBondContact O-N 3.45Å; L437-Q440 PolarHBondContact O-N 3.11Å; Q440-N443 PolarHBondContact O-N 2.83Å
441	L	95.2	Very high	95.7	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-79.4	-15.9	-179.3	-67.7	168.9	0	0	0	113.7	L305 L358 V361 R362 L437 R438 Q439 M471	L305-L441 HydrophobicContact CD1-CD2 3.87Å; L305-L441 HydrophobicContact CD1-CG 4.08Å; L305-L441 HydrophobicContact CD2-CD1 3.71Å; L305-L441 HydrophobicContact CD2-CD2 4.04Å; L305-L441 HydrophobicContact CD2-CG 4.01Å; L358-L441 HydrophobicContact CB-CD2 4.09Å; L358-L441 HydrophobicContact CD2-CD2 4.33Å; L358-L441 WeakPolarHBondContact O-CD1 3.44Å; V361-L441 HydrophobicContact CB-CD1 4.31Å; V361-L441 HydrophobicContact CG1-CD1 4.27Å; R362-L441 HydrophobicContact CB-CB 4.29Å; R362-L441 HydrophobicContact CB-CD1 3.67Å; R362-L441 HydrophobicContact CG-CB 4.18Å; R362-L441 HydrophobicContact CG-CD1 4.4Å; L437-L441 WeakPolarHBondContact O-CB 3.47Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 3.36Å; R438-L441 PolarHBondContact O-N 2.94Å; Q439-L441 VanDerWaalsContact C-N 3.31Å; Q439-L441 PolarHBondContact O-N 3.43Å; L441-M471 HydrophobicContact CD2-CE 4.02Å
442	S	91.7	Very high	95.6	Very high	85 Å²	85	38.9 Å²	38.9	59%	0.594	20%	0.197	S	C	*	.	H	α-helix	trans	-84.9	-17.2	170.9	67.3	0	0	0	0	113.7	R438 Q439	R438-S442 WeakPolarHBondContact O-CB 3.4Å; R438-S442 PolarHBondContact O-N 3.36Å; R438-S442 PolarHBondContact O-OG 3.29Å; Q439-S442 WeakPolarHBondContact CA-OG 3.33Å; Q439-S442 PolarHBondContact O-N 3.28Å; Q439-S442 PolarHBondContact O-OG 3.42Å
443	N	90.7	Very high	95.5	Very high	54 Å²	54	42 Å²	42	29%	0.289	21%	0.209	S	C	.	.	S	Bend	trans	-72.7	141.7	175.9	-68.5	-27.6	0	0	0	109.7	Q439 Q440 M445	Q439-N443 VanDerWaalsContact O-CG 3.28Å; Q439-N443 PolarHBondContact O-N 3.42Å; Q439-N443 PolarHBondContact O-ND2 3.48Å; Q439-N443 PolarHBondContact O-OD1 3.36Å; Q440-N443 PolarHBondContact O-N 2.83Å; N443-M445 PolarHBondContact O-N 2.87Å
444	D	89	Confident	95.3	Very high	140 Å²	140	46 Å²	46	75%	0.749	25%	0.25	S	C	*	.			trans	-61.2	133.2	173.7	-61.5	-39	0	0	0	110.6	A260	A260-D444 HydrophobicContact CB-CB 3.47Å; A260-D444 VanDerWaalsContact CB-CB 3.47Å
445	M	94.9	Very high	94.9	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.064	26%	0.261	C	S	.	.			trans	-114.8	136.2	179.5	-72.9	166.5	-87.6	0	0	109.5	I277 M278 W279 N443 W467 M471	I277-M445 HydrophobicContact CG2-CB 4.2Å; I277-M445 HydrophobicContact CG2-CG 4.3Å; I277-M445 HydrophobicContact CG2-SD 3.66Å; M278-M445 WeakPolarHBondContact O-CA 3.44Å; W279-M445 HydrophobicContact CD2-CG 4.36Å; W279-M445 VanDerWaalsContact CE2-SD 3.58Å; W279-M445 HydrophobicContact CG-CG 4.23Å; W279-M445 HydrophobicContact CZ2-CG 4.49Å; W279-M445 HydrophobicContact CZ2-SD 3.62Å; W279-M445 PolarHBondContact NE1-SD 3.09Å; N443-M445 PolarHBondContact O-N 2.87Å; M445-W467 HydrophobicContact CB-CZ2 4.24Å; M445-W467 HydrophobicContact CE-CH2 4.33Å; M445-W467 HydrophobicContact CE-CZ2 3.65Å; M445-W467 HydrophobicContact SD-CH2 4.07Å; M445-W467 HydrophobicContact SD-CZ2 3.74Å; M445-M471 HydrophobicContact CE-CE 4.32Å
446	A	96.8	Very high	94.6	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	144.7	171	0	0	0	0	0	110.3	L258 R259 M278 I448	L258-A446 HydrophobicContact CD2-CB 3.51Å; L258-A446 HydrophobicContact CG-CB 3.86Å; R259-A446 WeakPolarHBondContact O-CB 3.33Å; M278-A446 PolarHBondContact N-O 3.28Å; M278-A446 PolarHBondContact O-N 3.33Å; A446-I448 HydrophobicContact CB-CD1 3.95Å; A446-I448 HydrophobicContact CB-CG1 4.44Å
447	L	97.8	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	101.3	174.8	-60.4	-177.6	0	0	0	108.7	E261 A262 V263 L275 I277 L463 W467	E261-L447 PolarHBondContact O-N 2.89Å; A262-L447 CarbonylContact C-O 3.16Å; A262-L447 VanDerWaalsContact CA-O 3.3Å; A262-L447 WeakPolarHBondContact CA-O 3.42Å; A262-L447 HydrophobicContact CB-CB 4.1Å; V263-L447 PolarHBondContact N-O 3.43Å; L275-L447 HydrophobicContact CD1-CB 4.18Å; I277-L447 HydrophobicContact CB-CD2 4.36Å; I277-L447 HydrophobicContact CG1-CD2 3.85Å; I277-L447 HydrophobicContact CG2-CD2 4.41Å; L447-L463 HydrophobicContact CB-CD2 4.35Å; L447-L463 HydrophobicContact CD1-CD2 3.6Å; L447-W467 HydrophobicContact CD1-CB 3.67Å; L447-W467 HydrophobicContact CD1-CD2 4.15Å; L447-W467 HydrophobicContact CD1-CG 3.69Å; L447-W467 HydrophobicContact CD2-CD2 4.06Å; L447-W467 HydrophobicContact CD2-CE3 4.24Å; L447-W467 HydrophobicContact CD2-CG 4.45Å
448	I	97.7	Very high	94.3	Very high	2 Å²	2	55 Å²	55	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.2	-177.8	-47.3	-54	0	0	0	109.1	W177 L258 V263 I265 L275 S276 M278 A446 L450	W177-I448 HydrophobicContact CD2-CG2 4.45Å; W177-I448 HydrophobicContact CE3-CG1 4.49Å; W177-I448 HydrophobicContact CE3-CG2 3.64Å; W177-I448 HydrophobicContact CH2-CG1 4.22Å; W177-I448 HydrophobicContact CZ3-CB 4.42Å; W177-I448 HydrophobicContact CZ3-CD1 3.92Å; W177-I448 HydrophobicContact CZ3-CG1 3.79Å; W177-I448 HydrophobicContact CZ3-CG2 3.81Å; L258-I448 HydrophobicContact CD1-CD1 4.42Å; L258-I448 HydrophobicContact CD2-CD1 4.43Å; V263-I448 HydrophobicContact CG2-CD1 3.37Å; V263-I448 HydrophobicContact CG2-CG1 4.49Å; V263-I448 HydrophobicContact CG2-CG2 4.27Å; I265-I448 HydrophobicContact CD1-CG2 4.32Å; L275-I448 CarbonylContact C-O 3.54Å; L275-I448 WeakPolarHBondContact CA-O 3.48Å; S276-I448 PolarHBondContact N-O 3.04Å; S276-I448 PolarHBondContact O-N 2.81Å; M278-I448 HydrophobicContact CE-CB 4.18Å; M278-I448 HydrophobicContact CE-CD1 4.26Å; M278-I448 HydrophobicContact CE-CG1 3.23Å; A446-I448 HydrophobicContact CB-CD1 3.95Å; A446-I448 HydrophobicContact CB-CG1 4.44Å; I448-L450 HydrophobicContact CG2-CD2 4.34Å
449	L	98.2	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.4	175.4	-178.5	64.3	0	0	0	110	V263 S264 I265 D273 L275 L347 Q451 F458 M460	V263-L449 PolarHBondContact O-N 3.42Å; S264-L449 CarbonylContact C-O 3.45Å; S264-L449 WeakPolarHBondContact CA-O 3.12Å; I265-L449 PolarHBondContact N-O 3.27Å; D273-L449 HydrophobicContact CB-CD1 3.98Å; L275-L449 HydrophobicContact CB-CD1 4.04Å; L275-L449 HydrophobicContact CD1-CB 4.2Å; L347-L449 HydrophobicContact CD1-CD1 4.49Å; L347-L449 HydrophobicContact CD2-CD1 3.63Å; L347-L449 HydrophobicContact CD2-CD2 3.81Å; L347-L449 HydrophobicContact CD2-CG 4.39Å; L449-Q451 HydrophobicContact CD1-CG 4.35Å; L449-Q451 HydrophobicContact CD2-CG 3.55Å; L449-Q451 HydrophobicContact CG-CG 3.58Å; L449-F458 HydrophobicContact CD2-CB 3.47Å; L449-F458 VanDerWaalsContact CD2-CB 3.47Å; L449-F458 HydrophobicContact CD2-CD1 4.43Å; L449-F458 HydrophobicContact CD2-CG 4Å; L449-M460 HydrophobicContact CB-CE 3.77Å; L449-M460 HydrophobicContact CB-SD 3.81Å; L449-M460 HydrophobicContact CD2-CE 4.46Å; L449-M460 HydrophobicContact CD2-SD 3.53Å; L449-M460 VanDerWaalsContact CD2-SD 3.53Å; L449-M460 HydrophobicContact CG-SD 4.32Å
450	L	97.9	Very high	94.3	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.4	164.1	-55.5	-172.3	0	0	0	108.3	W177 I265 T267 V270 D273 R274 I448	W177-L450 HydrophobicContact CB-CD2 3.93Å; I265-L450 HydrophobicContact CB-CD2 3.93Å; I265-L450 HydrophobicContact CD1-CD2 4.49Å; I265-L450 HydrophobicContact CG2-CD2 4.3Å; I265-L450 WeakPolarHBondContact O-CA 3.4Å; T267-L450 HydrophobicContact CG2-CB 3.91Å; T267-L450 HydrophobicContact CG2-CD1 4.47Å; T267-L450 HydrophobicContact CG2-CD2 4.48Å; V270-L450 HydrophobicContact CG1-CB 4.01Å; V270-L450 HydrophobicContact CG1-CD1 4.13Å; V270-L450 HydrophobicContact CG2-CB 4.07Å; D273-L450 WeakPolarHBondContact CA-O 3.31Å; R274-L450 HydrophobicContact CB-CB 4.44Å; R274-L450 PolarHBondContact N-O 3.22Å; R274-L450 PolarHBondContact O-N 2.97Å; I448-L450 HydrophobicContact CG2-CD2 4.34Å
451	Q	97.3	Very high	94.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.1	178.7	-60.1	-164.2	-109.7	0	0	110.8	S264 I265 M266 T267 D273 N344 L449 P456	S264-Q451 PolarHBondContact OG-OE1 3.1Å; I265-Q451 PolarHBondContact O-N 3.1Å; M266-Q451 CarbonylContact C-O 3.55Å; M266-Q451 WeakPolarHBondContact CA-O 3.34Å; M266-Q451 HydrophobicContact CE-CB 4.28Å; M266-Q451 HydrophobicContact SD-CB 3.57Å; M266-Q451 VanDerWaalsContact SD-CB 3.57Å; M266-Q451 HydrophobicContact SD-CG 4.3Å; T267-Q451 PolarHBondContact N-O 2.81Å; D273-Q451 WeakPolarHBondContact OD1-CA 3.39Å; D273-Q451 WeakPolarHBondContact OD1-CB 3.42Å; D273-Q451 VanDerWaalsContact OD1-CG 3.27Å; D273-Q451 WeakPolarHBondContact OD1-CG 3.31Å; N344-Q451 PolarHBondContact ND2-NE2 2.79Å; L449-Q451 HydrophobicContact CD1-CG 4.35Å; L449-Q451 HydrophobicContact CD2-CG 3.55Å; L449-Q451 HydrophobicContact CG-CG 3.58Å; Q451-P456 PolarHBondContact NE2-O 3.44Å
452	P	96.5	Very high	94.2	Very high	13 Å²	13	59.2 Å²	59.2	8%	0.084	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	137.4	171.8	-21.8	33.6	0	0	0	111.7	M266 T267 V270 D273 G454 E455	M266-P452 WeakPolarHBondContact CE-O 3.24Å; T267-P452 WeakPolarHBondContact O-CA 3.31Å; V270-P452 HydrophobicContact CG2-CG 4.23Å; D273-P452 WeakPolarHBondContact OD1-CD 3.47Å; P452-G454 PolarHBondContact O-N 3.27Å; P452-E455 HydrophobicContact CB-CG 4.13Å; P452-E455 HydrophobicContact CG-CG 4.48Å; P452-E455 PolarHBondContact O-N 3.46Å
453	K	94.4	Very high	94.4	Very high	125 Å²	125	55.2 Å²	55.2	54%	0.543	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	136.7	174.2	-73.6	-169.9	-170.1	157.7	0	111.6	M266 T267 D268	M266-K453 HydrophobicContact CB-CG 4.34Å; T267-K453 PolarHBondContact O-N 3.24Å; D268-K453 WeakPolarHBondContact OD1-CD 3.11Å; D268-K453 WeakPolarHBondContact OD2-CD 3.35Å; D268-K453 VanDerWaalsContact OD2-CE 3.31Å; D268-K453 WeakPolarHBondContact OD2-CE 3.43Å; D268-K453 IonicContact OD2-NZ 3.5Å; D268-K453 PolarHBondContact OD2-NZ 3.06Å
454	G	91.7	Very high	94.6	Very high	84 Å²	84	54.1 Å²	54.1	87%	0.866	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-11.3	178.9	0	0	0	0	0	114.4	P452	P452-G454 PolarHBondContact O-N 3.27Å
455	E	90.8	Very high	94.9	Very high	70 Å²	70	50 Å²	50	33%	0.327	28%	0.282	S	S	.	.	S	Bend	trans	-77.1	155.3	170	-65.2	-168.3	-176	0	0	111.7	M266 P452	M266-E455 WeakPolarHBondContact CE-O 3.43Å; P452-E455 HydrophobicContact CB-CG 4.13Å; P452-E455 HydrophobicContact CG-CG 4.48Å; P452-E455 PolarHBondContact O-N 3.46Å
456	P	91	Very high	94.9	Very high	99 Å²	99	51 Å²	51	64%	0.643	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-60.1	136.5	172.9	-21.5	33.3	0	0	0	111.8	Q451 F458	Q451-P456 PolarHBondContact NE2-O 3.44Å; P456-F458 PolarHBondContact O-N 3.03Å
457	E	91.3	Very high	94.8	Very high	163 Å²	163	51.4 Å²	51.4	76%	0.762	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-59.6	130.3	173.7	-72.2	-173.7	178.3	0	0	110.7	M266	M266-E457 HydrophobicContact SD-CG 4.34Å
458	F	93.8	Very high	94.6	Very high	28 Å²	28	55.2 Å²	55.2	12%	0.123	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-74.5	143.5	177.8	-154.9	-91.5	0	0	0	110.9	N344 L347 N348 L449 P456 M460 L463	N344-F458 WeakPolarHBondContact O-CE2 3.44Å; L347-F458 HydrophobicContact CB-CE2 3.93Å; L347-F458 HydrophobicContact CB-CZ 4.01Å; L347-F458 HydrophobicContact CD2-CD1 4.12Å; L347-F458 HydrophobicContact CD2-CD2 3.9Å; L347-F458 HydrophobicContact CD2-CE1 4.09Å; L347-F458 HydrophobicContact CD2-CE2 3.86Å; L347-F458 HydrophobicContact CD2-CG 4.03Å; L347-F458 HydrophobicContact CD2-CZ 3.95Å; L347-F458 HydrophobicContact CG-CE2 4.38Å; L347-F458 HydrophobicContact CG-CZ 4.24Å; N348-F458 WeakPolarHBondContact OD1-CE1 3.34Å; L449-F458 HydrophobicContact CD2-CB 3.47Å; L449-F458 VanDerWaalsContact CD2-CB 3.47Å; L449-F458 HydrophobicContact CD2-CD1 4.43Å; L449-F458 HydrophobicContact CD2-CG 4Å; P456-F458 PolarHBondContact O-N 3.03Å; F458-M460 HydrophobicContact CB-SD 4.33Å; F458-M460 HydrophobicContact CD1-SD 4.39Å; F458-M460 PolarHBondContact O-N 3.42Å; F458-L463 HydrophobicContact CD1-CB 4.24Å; F458-L463 HydrophobicContact CD1-CD1 3.75Å; F458-L463 HydrophobicContact CE1-CB 4.01Å; F458-L463 HydrophobicContact CE1-CD1 3.63Å; F458-L463 HydrophobicContact CE1-CG 4.31Å
459	N	94.4	Very high	94.4	Very high	104 Å²	104	63 Å²	63	56%	0.556	35%	0.346	S	S	*	.			trans	-74.6	88.1	175.7	-173.9	-17.6	0	0	0	110.9	K461 A462 L463	N459-K461 VanDerWaalsContact C-N 3.25Å; N459-K461 PolarHBondContact O-N 3.27Å; N459-K461 PolarHBondContact OD1-N 3.15Å; N459-A462 HydrophobicContact CB-CB 4.14Å; N459-A462 PolarHBondContact O-N 3Å; N459-A462 VanDerWaalsContact O-N 3.15Å; N459-A462 PolarHBondContact OD1-N 3.38Å; N459-A462 VanDerWaalsContact OD1-N 3.1Å; N459-L463 PolarHBondContact O-N 2.87Å
460	M	95.3	Very high	94.3	Very high	21 Å²	21	64 Å²	64	10%	0.103	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-26.7	-178.2	-63.9	-51.2	-62.6	0	0	113.8	A262 L449 F458 L463 Q464	A262-M460 HydrophobicContact CB-CB 4.09Å; A262-M460 HydrophobicContact CB-CE 3.78Å; L449-M460 HydrophobicContact CB-CE 3.77Å; L449-M460 HydrophobicContact CB-SD 3.81Å; L449-M460 HydrophobicContact CD2-CE 4.46Å; L449-M460 HydrophobicContact CD2-SD 3.53Å; L449-M460 VanDerWaalsContact CD2-SD 3.53Å; L449-M460 HydrophobicContact CG-SD 4.32Å; F458-M460 HydrophobicContact CB-SD 4.33Å; F458-M460 HydrophobicContact CD1-SD 4.39Å; F458-M460 PolarHBondContact O-N 3.42Å; M460-L463 HydrophobicContact CE-CD1 4.2Å; M460-L463 HydrophobicContact CE-CD2 4.1Å; M460-L463 PolarHBondContact O-N 2.81Å; M460-L463 HydrophobicContact SD-CD1 4.3Å; M460-Q464 WeakPolarHBondContact O-CB 3.47Å; M460-Q464 PolarHBondContact O-N 2.85Å
461	K	94.6	Very high	94.1	Very high	182 Å²	182	64.2 Å²	64.2	79%	0.791	35%	0.352	S	S	*	.	H	α-helix	trans	-67.5	-41.3	174.6	-68.8	-175.6	179.5	-180	0	111.5	N459 A465	N459-K461 VanDerWaalsContact C-N 3.25Å; N459-K461 PolarHBondContact O-N 3.27Å; N459-K461 PolarHBondContact OD1-N 3.15Å; K461-A465 WeakPolarHBondContact O-CB 3.43Å; K461-A465 PolarHBondContact O-N 2.74Å
462	A	93	Very high	93.5	Very high	39 Å²	39	66.7 Å²	66.7	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-67.1	-41.1	175.2	0	0	0	0	0	111.2	N459 A465 V466	N459-A462 HydrophobicContact CB-CB 4.14Å; N459-A462 PolarHBondContact O-N 3Å; N459-A462 VanDerWaalsContact O-N 3.15Å; N459-A462 PolarHBondContact OD1-N 3.38Å; N459-A462 VanDerWaalsContact OD1-N 3.1Å; A462-A465 PolarHBondContact O-N 2.97Å; A462-V466 WeakPolarHBondContact O-CG2 3.38Å; A462-V466 PolarHBondContact O-N 2.76Å
463	L	94.7	Very high	92.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.8	-47.1	176.1	-169	152	0	0	0	111.6	L275 L347 L351 L447 F458 N459 M460 A465 V466 W467	L275-L463 HydrophobicContact CD1-CD1 4.46Å; L275-L463 HydrophobicContact CD1-CD2 4.25Å; L275-L463 HydrophobicContact CD2-CD1 4.21Å; L275-L463 HydrophobicContact CD2-CD2 4.2Å; L347-L463 HydrophobicContact CD2-CD1 3.78Å; L347-L463 HydrophobicContact CG-CD1 4.14Å; L351-L463 HydrophobicContact CD2-CD1 4.38Å; L351-L463 HydrophobicContact CD2-CD2 3.47Å; L351-L463 VanDerWaalsContact CD2-CD2 3.47Å; L351-L463 HydrophobicContact CD2-CG 3.55Å; L447-L463 HydrophobicContact CB-CD2 4.35Å; L447-L463 HydrophobicContact CD1-CD2 3.6Å; F458-L463 HydrophobicContact CD1-CB 4.24Å; F458-L463 HydrophobicContact CD1-CD1 3.75Å; F458-L463 HydrophobicContact CE1-CB 4.01Å; F458-L463 HydrophobicContact CE1-CD1 3.63Å; F458-L463 HydrophobicContact CE1-CG 4.31Å; N459-L463 PolarHBondContact O-N 2.87Å; M460-L463 HydrophobicContact CE-CD1 4.2Å; M460-L463 HydrophobicContact CE-CD2 4.1Å; M460-L463 PolarHBondContact O-N 2.81Å; M460-L463 HydrophobicContact SD-CD1 4.3Å; L463-A465 VanDerWaalsContact C-N 3.34Å; L463-A465 PolarHBondContact O-N 2.82Å; L463-V466 PolarHBondContact O-N 3.08Å; L463-W467 PolarHBondContact O-N 3.27Å
464	Q	95.6	Very high	91.1	Very high	32 Å²	32	67.9 Å²	67.9	15%	0.15	39%	0.394	C	S	.	.	H	α-helix	trans	-59.8	-43.3	174.6	-173.5	68	56.3	0	0	111.5	A262 M460 V466 W467 D468	A262-Q464 HydrophobicContact CB-CB 3.85Å; A262-Q464 HydrophobicContact CB-CG 4.38Å; A262-Q464 VanDerWaalsContact N-OE1 3.15Å; M460-Q464 WeakPolarHBondContact O-CB 3.47Å; M460-Q464 PolarHBondContact O-N 2.85Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 2.97Å; Q464-W467 WeakPolarHBondContact O-CB 3.44Å; Q464-W467 PolarHBondContact O-N 2.88Å; Q464-W467 VanDerWaalsContact O-N 3.15Å; Q464-D468 PolarHBondContact NE2-OD1 3Å; Q464-D468 WeakPolarHBondContact O-CB 3.38Å; Q464-D468 PolarHBondContact O-N 2.84Å
465	A	95.1	Very high	89.3	Confident	54 Å²	54	70 Å²	70	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-38.2	178.3	0	0	0	0	0	112.7	K461 A462 L463 Q469	K461-A465 WeakPolarHBondContact O-CB 3.43Å; K461-A465 PolarHBondContact O-N 2.74Å; A462-A465 PolarHBondContact O-N 2.97Å; L463-A465 VanDerWaalsContact C-N 3.34Å; L463-A465 PolarHBondContact O-N 2.82Å; A465-Q469 VanDerWaalsContact O-CB 3.27Å; A465-Q469 WeakPolarHBondContact O-CB 3.27Å; A465-Q469 PolarHBondContact O-N 2.82Å
466	V	94.2	Very high	87.4	Confident	33 Å²	33	69.9 Å²	69.9	20%	0.2	40%	0.401	C	S	.	.	H	α-helix	trans	-63	-44.6	173.6	171.5	0	0	0	0	110.8	A462 L463 Q464 I470	A462-V466 WeakPolarHBondContact O-CG2 3.38Å; A462-V466 PolarHBondContact O-N 2.76Å; L463-V466 PolarHBondContact O-N 3.08Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 2.97Å; V466-I470 HydrophobicContact CG1-CD1 4.14Å; V466-I470 WeakPolarHBondContact O-CD1 3.46Å; V466-I470 WeakPolarHBondContact O-CG1 3.38Å; V466-I470 PolarHBondContact O-N 2.84Å
467	W	95.5	Very high	85.1	Confident	11 Å²	11	68.5 Å²	68.5	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-60.1	-53.6	176	174.9	-96.2	0	0	0	111.6	I277 L351 A355 L358 M445 L447 L463 Q464 Q469 I470 M471	I277-W467 HydrophobicContact CB-CH2 4.43Å; I277-W467 HydrophobicContact CD1-CH2 3.98Å; I277-W467 HydrophobicContact CD1-CZ3 3.58Å; I277-W467 HydrophobicContact CG1-CH2 4.15Å; I277-W467 HydrophobicContact CG1-CZ3 3.94Å; I277-W467 HydrophobicContact CG2-CH2 3.41Å; I277-W467 VanDerWaalsContact CG2-CH2 3.41Å; I277-W467 HydrophobicContact CG2-CZ2 3.92Å; I277-W467 HydrophobicContact CG2-CZ3 4.1Å; L351-W467 HydrophobicContact CD1-CE3 3.7Å; L351-W467 HydrophobicContact CD1-CZ3 4.1Å; L351-W467 HydrophobicContact CD2-CB 4.49Å; A355-W467 HydrophobicContact CB-CE3 3.88Å; A355-W467 HydrophobicContact CB-CZ3 3.93Å; L358-W467 HydrophobicContact CD1-CH2 3.9Å; L358-W467 HydrophobicContact CD1-CZ3 4.21Å; M445-W467 HydrophobicContact CB-CZ2 4.24Å; M445-W467 HydrophobicContact CE-CH2 4.33Å; M445-W467 HydrophobicContact CE-CZ2 3.65Å; M445-W467 HydrophobicContact SD-CH2 4.07Å; M445-W467 HydrophobicContact SD-CZ2 3.74Å; L447-W467 HydrophobicContact CD1-CB 3.67Å; L447-W467 HydrophobicContact CD1-CD2 4.15Å; L447-W467 HydrophobicContact CD1-CG 3.69Å; L447-W467 HydrophobicContact CD2-CD2 4.06Å; L447-W467 HydrophobicContact CD2-CE3 4.24Å; L447-W467 HydrophobicContact CD2-CG 4.45Å; L463-W467 PolarHBondContact O-N 3.27Å; Q464-W467 WeakPolarHBondContact O-CB 3.44Å; Q464-W467 PolarHBondContact O-N 2.88Å; Q464-W467 VanDerWaalsContact O-N 3.15Å; W467-Q469 VanDerWaalsContact C-N 3.3Å; W467-Q469 PolarHBondContact O-N 3.34Å; W467-I470 PolarHBondContact O-N 3.36Å; W467-I470 VanDerWaalsContact O-N 3.08Å; W467-M471 HydrophobicContact CD2-CB 4.43Å; W467-M471 HydrophobicContact CD2-CG 3.78Å; W467-M471 HydrophobicContact CE3-CG 3.99Å; W467-M471 HydrophobicContact CG-CG 4.4Å; W467-M471 HydrophobicContact CH2-CG 3.95Å; W467-M471 HydrophobicContact CH2-SD 4.49Å; W467-M471 HydrophobicContact CZ2-CB 4.42Å; W467-M471 HydrophobicContact CZ2-CE 4.49Å; W467-M471 HydrophobicContact CZ2-CG 3.75Å; W467-M471 HydrophobicContact CZ3-CG 4.07Å; W467-M471 WeakPolarHBondContact O-CB 3.38Å; W467-M471 PolarHBondContact O-N 3.03Å
468	D	93.9	Very high	82.4	Confident	80 Å²	80	64.2 Å²	64.2	43%	0.428	39%	0.39	S	S	.	.	H	α-helix	trans	-60.6	-40.1	-177.4	-66.5	-16.2	0	0	0	111.6	Q464 I470 A472	Q464-D468 PolarHBondContact NE2-OD1 3Å; Q464-D468 WeakPolarHBondContact O-CB 3.38Å; Q464-D468 PolarHBondContact O-N 2.84Å; D468-I470 PolarHBondContact O-N 3.32Å; D468-A472 WeakPolarHBondContact O-CA 3.17Å; D468-A472 WeakPolarHBondContact O-CB 3.47Å; D468-A472 PolarHBondContact O-N 3.4Å
469	Q	94.1	Very high	79.5	Confident	166 Å²	166	68.3 Å²	68.3	78%	0.776	42%	0.418	S	S	*	.	H	α-helix	trans	-59.9	-34.8	177.7	-177.1	-178.7	-4.3	0	0	112.5	A465 W467	A465-Q469 VanDerWaalsContact O-CB 3.27Å; A465-Q469 WeakPolarHBondContact O-CB 3.27Å; A465-Q469 PolarHBondContact O-N 2.82Å; W467-Q469 VanDerWaalsContact C-N 3.3Å; W467-Q469 PolarHBondContact O-N 3.34Å
470	I	94.5	Very high	76.6	Confident	22 Å²	22	69.1 Å²	69.1	11%	0.113	43%	0.427	C	S	.	.	H	α-helix	trans	-88.7	-42.4	-177.7	-61.3	166.6	0	0	0	110.7	N352 A355 R356 A359 V466 W467 D468	N352-I470 HydrophobicContact CB-CD1 4.38Å; A355-I470 HydrophobicContact CB-CB 4.16Å; A355-I470 HydrophobicContact CB-CD1 3.9Å; A355-I470 HydrophobicContact CB-CG2 3.84Å; A355-I470 WeakPolarHBondContact O-CG2 3.15Å; R356-I470 HydrophobicContact CG-CD1 4.39Å; R356-I470 HydrophobicContact CG-CG2 4.13Å; A359-I470 HydrophobicContact CB-CG2 3.97Å; V466-I470 HydrophobicContact CG1-CD1 4.14Å; V466-I470 WeakPolarHBondContact O-CD1 3.46Å; V466-I470 WeakPolarHBondContact O-CG1 3.38Å; V466-I470 PolarHBondContact O-N 2.84Å; W467-I470 PolarHBondContact O-N 3.36Å; W467-I470 VanDerWaalsContact O-N 3.08Å; D468-I470 PolarHBondContact O-N 3.32Å
471	M	93.7	Very high	73.7	Confident	22 Å²	22	73 Å²	73	11%	0.108	46%	0.456	C	S	.	.	H	α-helix	trans	-90.6	-3.8	-172.7	-64.5	-55.8	-63.6	0	0	113.8	A355 L358 A359 R362 L441 M445 W467	A355-M471 HydrophobicContact CB-CG 4.41Å; A355-M471 HydrophobicContact CB-SD 4.47Å; A355-M471 VanDerWaalsContact O-SD 3.41Å; L358-M471 HydrophobicContact CB-CE 4.15Å; L358-M471 HydrophobicContact CB-SD 4.13Å; A359-M471 HydrophobicContact CB-SD 4.02Å; R362-M471 PolarHBondContact NH1-O 3.03Å; L441-M471 HydrophobicContact CD2-CE 4.02Å; M445-M471 HydrophobicContact CE-CE 4.32Å; W467-M471 HydrophobicContact CD2-CB 4.43Å; W467-M471 HydrophobicContact CD2-CG 3.78Å; W467-M471 HydrophobicContact CE3-CG 3.99Å; W467-M471 HydrophobicContact CG-CG 4.4Å; W467-M471 HydrophobicContact CH2-CG 3.95Å; W467-M471 HydrophobicContact CH2-SD 4.49Å; W467-M471 HydrophobicContact CZ2-CB 4.42Å; W467-M471 HydrophobicContact CZ2-CE 4.49Å; W467-M471 HydrophobicContact CZ2-CG 3.75Å; W467-M471 HydrophobicContact CZ3-CG 4.07Å; W467-M471 WeakPolarHBondContact O-CB 3.38Å; W467-M471 PolarHBondContact O-N 3.03Å
472	A	86.3	Confident	70.6	Confident	52 Å²	52	69.9 Å²	69.9	43%	0.43	45%	0.452	S	S	.	.	S	Bend	trans	-51.5	135.7	170	0	0	0	0	0	110.9	R362 D468 S474	R362-A472 PolarHBondContact NH1-O 3.38Å; D468-A472 WeakPolarHBondContact O-CA 3.17Å; D468-A472 WeakPolarHBondContact O-CB 3.47Å; D468-A472 PolarHBondContact O-N 3.4Å; A472-S474 PolarHBondContact O-N 3.07Å
473	P	75	Confident	67.8	Low	117 Å²	117	72.3 Å²	72.3	76%	0.76	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55	133.1	179	-23.1	31.7	0	0	0	111.3	T475	P473-T475 PolarHBondContact O-N 2.95Å
474	S	64.6	Low	64.8	Low	46 Å²	46	77.8 Å²	77.8	32%	0.322	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-65	125	171.4	179.8	0	0	0	0	109.5	A472 A476 A477	A472-S474 PolarHBondContact O-N 3.07Å; S474-A476 PolarHBondContact O-N 2.86Å; S474-A476 VanDerWaalsContact O-N 3.07Å; S474-A477 PolarHBondContact O-N 3.12Å
475	T	54.8	Low	61.9	Low	130 Å²	130	84.3 Å²	84.3	80%	0.798	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-57.4	-21.5	176	36.8	0	0	0	0	113	P473 A477 A478	P473-T475 PolarHBondContact O-N 2.95Å; T475-A477 VanDerWaalsContact C-N 3.28Å; T475-A477 PolarHBondContact O-N 3.4Å; T475-A478 PolarHBondContact O-N 3.38Å
476	A	49.1	Very low	59	Low	67 Å²	67	88.8 Å²	88.8	55%	0.554	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-70.4	-18.7	176.4	0	0	0	0	0	114.1	S474 T479	S474-A476 PolarHBondContact O-N 2.86Å; S474-A476 VanDerWaalsContact O-N 3.07Å; A476-T479 PolarHBondContact O-OG1 3.18Å
477	A	43.2	Very low	55.9	Low	70 Å²	70	92.9 Å²	92.9	58%	0.579	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-84.6	-18.8	177.1	0	0	0	0	0	113.1	S474 T475	S474-A477 PolarHBondContact O-N 3.12Å; T475-A477 VanDerWaalsContact C-N 3.28Å; T475-A477 PolarHBondContact O-N 3.4Å
478	A	34.6	Very low	52.9	Low	72 Å²	72	101 Å²	101	60%	0.595	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-77.8	-20.6	179.8	0	0	0	0	0	113.2	T475	T475-A478 PolarHBondContact O-N 3.38Å
479	T	32.7	Very low	50	Low	114 Å²	114	102 Å²	102	70%	0.699	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-86.4	-9	-177.2	24	0	0	0	0	114.8	A476	A476-T479 PolarHBondContact O-OG1 3.18Å
480	T	34.1	Very low	46.8	Very low	122 Å²	122	102.9 Å²	102.9	75%	0.748	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-96.7	4.3	179.4	36.5	0	0	0	0	115.4
481	S	33.5	Very low	43.7	Very low	101 Å²	101	107.7 Å²	107.7	71%	0.706	67%	0.666	S	S	*	*	S	Bend	trans	-104.4	14.3	175.5	65.6	0	0	0	0	114.9
482	V	31.4	Very low	40.8	Very low	118 Å²	118	112.3 Å²	112.3	72%	0.715	70%	0.695	S	S	*	*			trans	-132.8	59.4	170.8	-163.1	0	0	0	0	109.6
483	A	33.5	Very low	38.3	Very low	89 Å²	89	116.7 Å²	116.7	74%	0.736	71%	0.711	S	S	*	*			trans	-88.4	102.4	152.8	0	0	0	0	0	105.8	D485	A483-D485 PolarHBondContact O-N 3.14Å; A483-D485 VanDerWaalsContact O-N 3.14Å
484	T	31.6	Very low	36.4	Very low	116 Å²	116	118.6 Å²	118.6	71%	0.712	71%	0.714	S	S	*	*			trans	-46.6	110.3	169.2	41.5	0	0	0	0	110.2	D486	T484-D486 PolarHBondContact O-N 3.38Å
485	D	35.4	Very low	34.8	Very low	168 Å²	168	121.6 Å²	121.6	90%	0.898	73%	0.732	S	S	*	*			trans	-65.1	124	160.5	-92.3	-26.8	0	0	0	108	A483 V487	A483-D485 PolarHBondContact O-N 3.14Å; A483-D485 VanDerWaalsContact O-N 3.14Å; D485-V487 PolarHBondContact O-N 3.37Å
486	D	33.9	Very low	33.7	Very low	148 Å²	148	121.5 Å²	121.5	79%	0.791	73%	0.734	S	S	*	*			trans	-56.4	122.2	-179.4	-80.4	-49.5	0	0	0	112.4	T484	T484-D486 PolarHBondContact O-N 3.38Å
487	V	29	Very low	32.7	Very low	120 Å²	120	123.2 Å²	123.2	73%	0.727	75%	0.748	S	S	*	*			trans	14.9	106.9	132.5	-171.5	0	0	0	0	115.9	D485	D485-V487 PolarHBondContact O-N 3.37Å
488	H	31.8	Very low	32.1	Very low	181 Å²	181	132.8 Å²	132.8	84%	0.838	78%	0.781	S	S	*	*			trans	-159.3	150.6	138.9	-102.7	-54.7	0	0	0	110.9
489	P	33.4	Very low	32	Very low	100 Å²	100	135.9 Å²	135.9	65%	0.649	79%	0.79	S	S	*	*				-111.1	163	-117.6	15.6	5.7	0	0	0	114.1	V491	P489-V491 PolarHBondContact O-N 3.39Å
490	E	26.5	Very low	32	Very low	186 Å²	186	137 Å²	137	87%	0.869	80%	0.795	S	S	*	*			trans	-27.6	116.8	171.5	-65.4	173.2	146.4	0	0	114.9
491	V	30	Very low	31.8	Very low	123 Å²	123	137.8 Å²	137.8	75%	0.745	80%	0.797	S	S	*	*			trans	-115.4	97.5	155.8	-177.9	0	0	0	0	106.9	P489	P489-V491 PolarHBondContact O-N 3.39Å
492	T	32.6	Very low	31.7	Very low	119 Å²	119	140 Å²	140	73%	0.73	80%	0.803	S	S	*	*			trans	-79.7	105.4	171.9	45.5	0	0	0	0	109.7
493	D	33.2	Very low	31.8	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	81%	0.808	S	S	*	*			trans	-116.2	72.7	167.2	-76.9	-27	0	0	0	109.7
494	I	35	Very low	31.6	Very low	158 Å²	158	144.9 Å²	144.9	81%	0.81	81%	0.813	S	S	*	*			trans	-109.5	113.9	161	-60.1	179.1	0	0	0	107.1
495	P	30.5	Very low	31.6	Very low	109 Å²	109	146.9 Å²	146.9	71%	0.708	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.2	175.6	-13	26.9	0	0	0	110.9
496	P	32.4	Very low	31.4	Very low	128 Å²	128	145.3 Å²	145.3	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.9	137.8	-178	27.2	-31.7	0	0	0	112.2
497	A	27.4	Very low	31.1	Very low	103 Å²	103	145.1 Å²	145.1	85%	0.851	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-69.8	125.9	173.1	0	0	0	0	0	111.3
498	Q	31.8	Very low	31.3	Very low	271 Å²	271	147.4 Å²	147.4	100%	1.266	82%	0.824	S	S	*	*			trans	-132.6	0	149.6	-85.4	-168.2	-8.1	0	0	108.9

Retrieved 498 of 498 residues in 1608 ms (Link to these results)

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